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Probable dual-specificity RNA methyltransferase RlmN

Specifically methylates position 2 of adenine 2503 in 23S rRNA and position 2 of adenine 37 in tRNAs. Confers resistance to some classes of antibiotics.

AlphaFold DB , UniProt , Accession Q2FZ66, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene rlmN, Length 364 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
1M65.6Low66.2Low62 Ų6287.9 Ų87.931%0.30543%0.434SS..  0140.90-91.5-174.9-117.800109.9T3 L24 E28 W32M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 HydrophobicContact CB-CG2 4.32Å; M1-T3 PolarHBondContact O-N 3.46Å; M1-L24 HydrophobicContact CB-CD2 4.23Å; M1-L24 HydrophobicContact CG-CD2 3.44Å; M1-L24 VanDerWaalsContact CG-CD2 3.44Å; M1-E28 PolarHBondContact N-OE1 3.3Å; M1-E28 PolarHBondContact N-OE2 3.23Å; M1-W32 HydrophobicContact CE-CB 3.58Å; M1-W32 HydrophobicContact CE-CG 3.78Å
2I62.5Low68.2Low25 Ų2585.8 Ų85.813%0.12842%0.421CS..  trans-71.990.7168.5-66.2175.4000107.1K6 K7 Q19 E146I2-K6 HydrophobicContact CG1-CD 4.45Å; I2-K7 HydrophobicContact CG2-CD 4.05Å; I2-K7 HydrophobicContact CG2-CG 3.55Å; I2-Q19 HydrophobicContact CB-CG 4.21Å; I2-Q19 HydrophobicContact CD1-CB 4.48Å; I2-Q19 HydrophobicContact CD1-CG 3.76Å; I2-Q19 HydrophobicContact CG1-CG 3.95Å; I2-E146 HydrophobicContact CD1-CB 4.28Å; I2-E146 HydrophobicContact CD1-CG 3.65Å; I2-E146 WeakPolarHBondContact CD1-OE1 3.36Å
3T63.2Low69.9Low67 Ų6780.8 Ų80.841%0.41140%0.397SS..  trans-78.4160.6176.463.60000110.2M1 E5 K6 K7M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 HydrophobicContact CB-CG2 4.32Å; M1-T3 PolarHBondContact O-N 3.46Å; T3-E5 PolarHBondContact O-N 3.41Å; T3-E5 VanDerWaalsContact O-N 3.17Å; T3-E5 PolarHBondContact OG1-N 2.7Å; T3-K6 PolarHBondContact O-N 3.15Å; T3-K6 PolarHBondContact OG1-N 3.27Å; T3-K7 PolarHBondContact O-N 3.37Å
4A55.8Low71.2Confident88 Ų8875.9 Ų75.973%0.72737%0.374SS*.Hα-helixtrans-54.7-31.3169.100000111.7K8A4-K8 VanDerWaalsContact O-CB 3.3Å; A4-K8 WeakPolarHBondContact O-CB 3.27Å; A4-K8 PolarHBondContact O-N 2.73Å
5E59.8Low72.2Confident116 Ų11679.9 Ų79.954%0.54240%0.398SS..Hα-helixtrans-66.8-43.8173.9-166.6-174.116000112.3T3 K8 K9T3-E5 PolarHBondContact O-N 3.41Å; T3-E5 VanDerWaalsContact O-N 3.17Å; T3-E5 PolarHBondContact OG1-N 2.7Å; E5-K8 PolarHBondContact O-N 3.11Å; E5-K9 WeakPolarHBondContact O-CG 3.32Å; E5-K9 PolarHBondContact O-N 3.15Å; E5-K9 VanDerWaalsContact OE1-CE 3.26Å; E5-K9 WeakPolarHBondContact OE1-CE 3.28Å; E5-K9 IonicContact OE1-NZ 2.81Å; E5-K9 PolarHBondContact OE1-NZ 3.46Å
6K69.1Low73.2Confident17 Ų1777.2 Ų77.27%0.07438%0.383CS..Hα-helixtrans-62.2-45.9176.1-159.4179.2-167.8-168.30111.3I2 T3 K8 K9 N10 E185 D188I2-K6 HydrophobicContact CG1-CD 4.45Å; T3-K6 PolarHBondContact O-N 3.15Å; T3-K6 PolarHBondContact OG1-N 3.27Å; K6-K8 VanDerWaalsContact C-N 3.32Å; K6-K8 PolarHBondContact O-N 3.13Å; K6-K9 PolarHBondContact O-N 3.24Å; K6-N10 PolarHBondContact O-N 3.2Å; K6-E185 WeakPolarHBondContact CD-OE1 3.31Å; K6-E185 WeakPolarHBondContact CE-OE1 3.4Å; K6-E185 IonicContact NZ-OE1 2.67Å; K6-E185 PolarHBondContact NZ-OE1 3.38Å; K6-E185 IonicContact NZ-OE2 2.87Å; K6-E185 PolarHBondContact NZ-OE2 2.83Å; K6-D188 IonicContact NZ-OD2 3.05Å; K6-D188 PolarHBondContact NZ-OD2 2.98Å
7K62.2Low73.9Confident72 Ų7282.7 Ų82.731%0.31341%0.414SS..Hα-helixtrans-61.1-38.1173.8-72.1-171.8172.9-175.70112.5I2 T3 N10 N15I2-K7 HydrophobicContact CG2-CD 4.05Å; I2-K7 HydrophobicContact CG2-CG 3.55Å; T3-K7 PolarHBondContact O-N 3.37Å; K7-N10 CarbonylContact O-C 3.5Å; K7-N10 PolarHBondContact O-N 2.89Å; K7-N15 PolarHBondContact NZ-OD1 3.08Å
8K59.1Low74.8Confident190 Ų19082.3 Ų82.383%0.82641%0.409SS*.Hα-helixtrans-66.3-36.5176.5-171.3179.4-179.8-177.80112.3A4 E5 K6A4-K8 VanDerWaalsContact O-CB 3.3Å; A4-K8 WeakPolarHBondContact O-CB 3.27Å; A4-K8 PolarHBondContact O-N 2.73Å; E5-K8 PolarHBondContact O-N 3.11Å; K6-K8 VanDerWaalsContact C-N 3.32Å; K6-K8 PolarHBondContact O-N 3.13Å
9K69.4Low75.6Confident140 Ų14079.3 Ų79.361%0.60939%0.394SS*.Hα-helixtrans-73.9-34.3176.6-72.4175.8-176.6169.90112.4E5 K6E5-K9 WeakPolarHBondContact O-CG 3.32Å; E5-K9 PolarHBondContact O-N 3.15Å; E5-K9 VanDerWaalsContact OE1-CE 3.26Å; E5-K9 WeakPolarHBondContact OE1-CE 3.28Å; E5-K9 IonicContact OE1-NZ 2.81Å; E5-K9 PolarHBondContact OE1-NZ 3.46Å; K6-K9 PolarHBondContact O-N 3.24Å
10N78.8Confident76.5Confident17 Ų1775.4 Ų75.49%0.09138%0.375CS..  trans-120.485.7-177.8-169.3-10.2000112.2K6 K7 F12 L13 N144 N182K6-N10 PolarHBondContact O-N 3.2Å; K7-N10 CarbonylContact O-C 3.5Å; K7-N10 PolarHBondContact O-N 2.89Å; N10-F12 PolarHBondContact O-N 3.32Å; N10-F12 PolarHBondContact OD1-N 3.24Å; N10-L13 HydrophobicContact CB-CD1 3.89Å; N10-L13 HydrophobicContact CB-CG 3.92Å; N10-L13 PolarHBondContact O-N 3.4Å; N10-L13 VanDerWaalsContact O-N 3.12Å; N10-N144 VanDerWaalsContact CG-ND2 3.31Å; N10-N144 PolarHBondContact ND2-ND2 3.13Å; N10-N144 PolarHBondContact OD1-ND2 2.79Å; N10-N182 PolarHBondContact ND2-OD1 3.04Å
11K82.8Confident77.5Confident173 Ų17371.8 Ų71.875%0.75236%0.357SS*.THydrogen-bonded Turntrans-62.8-11.5178.671.1176-177.4177.70115.1
12F90.1Very high79Confident63 Ų6369.1 Ų69.128%0.27634%0.343SS..THydrogen-bonded Turntrans-94.21.8179.4-67.4-76000112.2N10 L141 R143 N144N10-F12 PolarHBondContact O-N 3.32Å; N10-F12 PolarHBondContact OD1-N 3.24Å; F12-L141 HydrophobicContact CD1-CD2 3.88Å; F12-L141 HydrophobicContact CD1-CG 4.42Å; F12-L141 HydrophobicContact CD2-CD2 4.27Å; F12-L141 HydrophobicContact CE1-CD2 3.88Å; F12-L141 HydrophobicContact CE2-CD2 4.27Å; F12-L141 HydrophobicContact CG-CD2 4.08Å; F12-L141 HydrophobicContact CZ-CD2 4.07Å; F12-R143 WeakPolarHBondContact O-CA 3.4Å; F12-R143 VanDerWaalsContact O-CB 3.24Å; F12-R143 WeakPolarHBondContact O-CB 3.04Å; F12-N144 HydrophobicContact CB-CB 4.14Å; F12-N144 PolarHBondContact O-N 2.93Å
13L90Very high80.6Confident21 Ų2168 Ų6811%0.1134%0.337CS..SBendtrans-68.9146.9171.5-72.8173.6000111.2N10 N144 E185N10-L13 HydrophobicContact CB-CD1 3.89Å; N10-L13 HydrophobicContact CB-CG 3.92Å; N10-L13 PolarHBondContact O-N 3.4Å; N10-L13 VanDerWaalsContact O-N 3.12Å; L13-N144 HydrophobicContact CD2-CB 4.18Å; L13-E185 HydrophobicContact CD2-CG 3.69Å
14P87.8Confident82.2Confident11 Ų1164.8 Ų64.87%0.07132%0.318CS..  trans-63.1153.817129-34.5000110.7F16 N144 E146P14-F16 HydrophobicContact CB-CD1 4.26Å; P14-F16 HydrophobicContact CB-CD2 3.86Å; P14-F16 HydrophobicContact CB-CE1 3.91Å; P14-F16 HydrophobicContact CB-CE2 3.48Å; P14-F16 VanDerWaalsContact CB-CE2 3.48Å; P14-F16 HydrophobicContact CB-CG 4.24Å; P14-F16 HydrophobicContact CB-CZ 3.5Å; P14-F16 HydrophobicContact CG-CD2 3.69Å; P14-F16 HydrophobicContact CG-CE2 3.28Å; P14-F16 HydrophobicContact CG-CZ 3.8Å; P14-N144 WeakPolarHBondContact CD-O 3.25Å; P14-E146 HydrophobicContact CG-CG 3.95Å
15N86.6Confident84.1Confident136 Ų13663.5 Ų63.573%0.72729%0.294SS*.  trans-105.967.1174-168.342.8000110.7K7K7-N15 PolarHBondContact NZ-OD1 3.08Å
16F87.5Confident85.9Confident37 Ų3759.3 Ų59.316%0.16227%0.274CS..  trans-74.1150.9172.4-57.6-46.2000111.4P14 K18 Q101 D102 E146P14-F16 HydrophobicContact CB-CD1 4.26Å; P14-F16 HydrophobicContact CB-CD2 3.86Å; P14-F16 HydrophobicContact CB-CE1 3.91Å; P14-F16 HydrophobicContact CB-CE2 3.48Å; P14-F16 VanDerWaalsContact CB-CE2 3.48Å; P14-F16 HydrophobicContact CB-CG 4.24Å; P14-F16 HydrophobicContact CB-CZ 3.5Å; P14-F16 HydrophobicContact CG-CD2 3.69Å; P14-F16 HydrophobicContact CG-CE2 3.28Å; P14-F16 HydrophobicContact CG-CZ 3.8Å; F16-K18 VanDerWaalsContact C-N 3.26Å; F16-K18 PolarHBondContact O-N 2.94Å; F16-Q101 HydrophobicContact CE1-CB 4.21Å; F16-Q101 HydrophobicContact CZ-CB 4.23Å; F16-D102 HydrophobicContact CE1-CB 4.21Å; F16-E146 WeakPolarHBondContact CD2-OE1 3.22Å
17D86.4Confident87.2Confident171 Ų17161.4 Ų61.491%0.91429%0.286SS*.SBendtrans-63.6-33.6178.1-68-26.6000112.3
18K89.8Confident88.9Confident76 Ų7659.4 Ų59.433%0.3328%0.278SS..SBendtrans-133.8139.2179.8-68.2179.3-173.2-179.90109.7F16 K73 D74 T77F16-K18 VanDerWaalsContact C-N 3.26Å; F16-K18 PolarHBondContact O-N 2.94Å; K18-K73 PolarHBondContact NZ-O 3.06Å; K18-D74 WeakPolarHBondContact CE-O 3.05Å; K18-D74 PolarHBondContact NZ-O 3.13Å; K18-T77 HydrophobicContact CB-CG2 3.75Å; K18-T77 HydrophobicContact CD-CG2 4.22Å
19Q89.3Confident90.7Very high24 Ų2450.4 Ų50.411%0.11224%0.239CC..EExtended strand (participates in β ladder)trans-70.1148.7173.9177.7-175.9100110.3I2 I21 S23 F76 T77I2-Q19 HydrophobicContact CB-CG 4.21Å; I2-Q19 HydrophobicContact CD1-CB 4.48Å; I2-Q19 HydrophobicContact CD1-CG 3.76Å; I2-Q19 HydrophobicContact CG1-CG 3.95Å; Q19-I21 PolarHBondContact O-N 3Å; Q19-S23 PolarHBondContact NE2-O 2.86Å; Q19-F76 WeakPolarHBondContact O-CA 3.43Å; Q19-T77 PolarHBondContact O-N 2.91Å; Q19-T77 PolarHBondContact O-OG1 2.82Å
20S94.3Very high92Very high1 Ų145.2 Ų45.21%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-60.7132.2167.2-172.20000112.7Y22 S23 T77 T79 E146S20-Y22 PolarHBondContact O-N 3.01Å; S20-Y22 PolarHBondContact OG-N 3.22Å; S20-S23 WeakPolarHBondContact CB-OG 3.27Å; S20-S23 WeakPolarHBondContact O-CB 3.42Å; S20-S23 PolarHBondContact O-N 3.06Å; S20-T77 CarbonylContact C-O 3.55Å; S20-T77 WeakPolarHBondContact CA-O 3.37Å; S20-T79 WeakPolarHBondContact CB-OG1 3.47Å; S20-T79 WeakPolarHBondContact OG-CB 3.1Å; S20-T79 PolarHBondContact OG-OG1 2.82Å; S20-E146 PolarHBondContact N-OE2 2.71Å
21I96.5Very high92.9Very high0 Ų048.5 Ų48.50%023%0.234CC..G310 helixtrans-61.4-26.4170-160.4169.5000111.9Q19 S23 L24 M29 I46 L50 L72 F76 T77 V78Q19-I21 PolarHBondContact O-N 3Å; I21-S23 PolarHBondContact O-N 2.88Å; I21-L24 PolarHBondContact O-N 3.39Å; I21-M29 HydrophobicContact CD1-CE 3.92Å; I21-M29 HydrophobicContact CG1-CE 3.61Å; I21-I46 HydrophobicContact CD1-CG2 4Å; I21-L50 HydrophobicContact CD1-CD1 4.01Å; I21-L50 HydrophobicContact CG1-CD1 3.98Å; I21-L50 HydrophobicContact CG2-CD1 4.01Å; I21-L50 HydrophobicContact CG2-CD2 3.8Å; I21-L72 HydrophobicContact CD1-CD2 4.08Å; I21-F76 HydrophobicContact CB-CB 3.89Å; I21-F76 HydrophobicContact CB-CG 4.35Å; I21-F76 HydrophobicContact CG1-CB 4.34Å; I21-F76 HydrophobicContact CG1-CD2 4.41Å; I21-F76 HydrophobicContact CG1-CG 4.39Å; I21-T77 PolarHBondContact N-O 3.13Å; I21-V78 HydrophobicContact CG2-CG2 4.24Å
22Y97.2Very high93.6Very high7 Ų740.6 Ų40.63%0.02720%0.2CC..G310 helixtrans-75.1-6.7175.8-65-59.7000113.5S20 L24 L50 Y51 V55 V78 T79 G148 V151 L155 I192S20-Y22 PolarHBondContact O-N 3.01Å; S20-Y22 PolarHBondContact OG-N 3.22Å; Y22-L24 VanDerWaalsContact C-N 3.33Å; Y22-L50 HydrophobicContact CD1-CB 4.46Å; Y22-L50 HydrophobicContact CD1-CD2 4.43Å; Y22-L50 HydrophobicContact CE1-CB 3.79Å; Y22-L50 HydrophobicContact CE1-CD1 4.45Å; Y22-L50 HydrophobicContact CE1-CD2 3.71Å; Y22-L50 HydrophobicContact CE1-CG 4.17Å; Y22-Y51 HydrophobicContact CD1-CE1 4.12Å; Y22-V55 PolarHBondContact OH-O 3.44Å; Y22-V78 HydrophobicContact CE2-CG1 3.54Å; Y22-T79 WeakPolarHBondContact CE2-O 3.41Å; Y22-G148 VanDerWaalsContact C-CA 3.46Å; Y22-G148 WeakPolarHBondContact O-CA 3.48Å; Y22-V151 HydrophobicContact CD1-CG1 4.14Å; Y22-V151 HydrophobicContact CG-CG1 4.25Å; Y22-L155 HydrophobicContact CD1-CD1 3.6Å; Y22-L155 HydrophobicContact CD2-CD1 4.47Å; Y22-L155 HydrophobicContact CE1-CD1 3.19Å; Y22-L155 HydrophobicContact CE2-CD1 4.16Å; Y22-L155 HydrophobicContact CG-CD1 4.23Å; Y22-I192 WeakPolarHBondContact O-CD1 3.45Å
23S96.4Very high94Very high0 Ų037.6 Ų37.60%019%0.187CC..G310 helixtrans-89.85175-64.40000112.8Q19 S20 I21 E146 G148Q19-S23 PolarHBondContact NE2-O 2.86Å; S20-S23 WeakPolarHBondContact CB-OG 3.27Å; S20-S23 WeakPolarHBondContact O-CB 3.42Å; S20-S23 PolarHBondContact O-N 3.06Å; I21-S23 PolarHBondContact O-N 2.88Å; S23-E146 PolarHBondContact OG-OE2 3.16Å; S23-G148 VanDerWaalsContact OG-CA 3.29Å; S23-G148 WeakPolarHBondContact OG-CA 3.46Å; S23-G148 PolarHBondContact OG-N 3.41Å
24L96.6Very high94.3Very high0 Ų040.7 Ų40.70%021%0.206CC..  trans-100.7130.2-179.9-66.2173000111.1M1 I21 Y22 E28 M29 F76M1-L24 HydrophobicContact CB-CD2 4.23Å; M1-L24 HydrophobicContact CG-CD2 3.44Å; M1-L24 VanDerWaalsContact CG-CD2 3.44Å; I21-L24 PolarHBondContact O-N 3.39Å; Y22-L24 VanDerWaalsContact C-N 3.33Å; L24-E28 HydrophobicContact CD2-CB 4.29Å; L24-M29 HydrophobicContact CB-CE 4.49Å; L24-M29 HydrophobicContact CD1-CE 3.48Å; L24-M29 VanDerWaalsContact CD1-CE 3.48Å; L24-M29 HydrophobicContact CD1-SD 4.44Å; L24-F76 HydrophobicContact CD1-CD1 4.24Å; L24-F76 HydrophobicContact CD1-CE1 3.69Å; L24-F76 HydrophobicContact CD1-CE2 4.09Å; L24-F76 HydrophobicContact CD1-CZ 3.6Å
25R96.7Very high94.8Very high61 Ų6146.8 Ų46.823%0.2323%0.234CC..  trans-70.6159.2167-58.1179.7-64.8135.719.2110D27 E28 M29 D188 R191 I192R25-D27 VanDerWaalsContact C-N 3.34Å; R25-D27 WeakPolarHBondContact CB-OD1 3.29Å; R25-D27 IonicContact CZ-OD1 3.85Å; R25-D27 IonicContact CZ-OD2 2.66Å; R25-D27 IonicContact NE-OD1 2.68Å; R25-D27 IonicContact NH1-OD2 2.72Å; R25-D27 IonicContact NH2-OD1 3.54Å; R25-D27 IonicContact NH2-OD2 3.67Å; R25-D27 PolarHBondContact NH2-OD2 3.14Å; R25-D27 VanDerWaalsContact NH2-OD2 3.09Å; R25-D27 PolarHBondContact O-N 2.95Å; R25-E28 HydrophobicContact CB-CB 4.43Å; R25-E28 HydrophobicContact CB-CG 4Å; R25-E28 IonicContact CZ-OE1 2.71Å; R25-E28 PolarHBondContact N-OE2 3.49Å; R25-E28 IonicContact NE-OE1 3.99Å; R25-E28 PolarHBondContact NE-OE1 2.99Å; R25-E28 IonicContact NH2-OE1 3.96Å; R25-E28 PolarHBondContact NH2-OE1 3.5Å; R25-E28 WeakPolarHBondContact O-CB 3.32Å; R25-E28 PolarHBondContact O-N 3.46Å; R25-E28 VanDerWaalsContact O-N 3.1Å; R25-M29 PolarHBondContact O-N 3.27Å; R25-D188 WeakPolarHBondContact CD-OD1 3.29Å; R25-D188 IonicContact NE-OD1 3.78Å; R25-R191 HydrophobicContact CG-CB 4.48Å; R25-I192 HydrophobicContact CG-CD1 4.44Å; R25-I192 HydrophobicContact CG-CG1 4.01Å
26F97.3Very high95.2Very high28 Ų2844.1 Ų44.112%0.12322%0.217CC..Hα-helixtrans-60.7-43.3-176.3-177.4-110.5000112.5E28 M29 Q30 A43 K44 F47 N197F26-E28 VanDerWaalsContact C-N 3.3Å; F26-E28 PolarHBondContact O-N 3.34Å; F26-M29 PolarHBondContact O-N 2.95Å; F26-Q30 HydrophobicContact CD1-CG 4.5Å; F26-Q30 VanDerWaalsContact CE1-CD 3.49Å; F26-Q30 HydrophobicContact CE1-CG 4.23Å; F26-Q30 HydrophobicContact CZ-CG 4.32Å; F26-Q30 WeakPolarHBondContact O-CG 3.48Å; F26-Q30 PolarHBondContact O-N 2.77Å; F26-A43 HydrophobicContact CD2-CB 4.28Å; F26-A43 HydrophobicContact CE2-CB 3.75Å; F26-A43 HydrophobicContact CZ-CB 4.25Å; F26-K44 HydrophobicContact CE2-CB 4.32Å; F26-K44 HydrophobicContact CZ-CB 4.34Å; F26-F47 HydrophobicContact CB-CD1 4.35Å; F26-F47 HydrophobicContact CB-CE1 3.7Å; F26-F47 HydrophobicContact CB-CZ 4.01Å; F26-F47 AromaticContact CD2-CD1 3.65Å; F26-F47 HydrophobicContact CD2-CD1 3.65Å; F26-F47 HydrophobicContact CD2-CD2 4.14Å; F26-F47 AromaticContact CD2-CE1 3.77Å; F26-F47 HydrophobicContact CD2-CE1 3.77Å; F26-F47 HydrophobicContact CD2-CE2 4.26Å; F26-F47 AromaticContact CD2-CG 3.86Å; F26-F47 HydrophobicContact CD2-CG 3.86Å; F26-F47 HydrophobicContact CD2-CZ 4.09Å; F26-F47 HydrophobicContact CE2-CD1 4.48Å; F26-F47 HydrophobicContact CE2-CG 4.36Å; F26-F47 HydrophobicContact CG-CD1 4.44Å; F26-F47 HydrophobicContact CG-CE1 4.23Å; F26-N197 HydrophobicContact CD2-CB 4.02Å; F26-N197 HydrophobicContact CE2-CB 4.06Å; F26-N197 HydrophobicContact CG-CB 4.45Å
27D96.7Very high95.7Very high62 Ų6245.8 Ų45.833%0.33224%0.244SC..Hα-helixtrans-60.9-38.217462.2-49.5000112.1R25 Q30 N31R25-D27 VanDerWaalsContact C-N 3.34Å; R25-D27 WeakPolarHBondContact CB-OD1 3.29Å; R25-D27 IonicContact CZ-OD1 3.85Å; R25-D27 IonicContact CZ-OD2 2.66Å; R25-D27 IonicContact NE-OD1 2.68Å; R25-D27 IonicContact NH1-OD2 2.72Å; R25-D27 IonicContact NH2-OD1 3.54Å; R25-D27 IonicContact NH2-OD2 3.67Å; R25-D27 PolarHBondContact NH2-OD2 3.14Å; R25-D27 VanDerWaalsContact NH2-OD2 3.09Å; R25-D27 PolarHBondContact O-N 2.95Å; D27-Q30 WeakPolarHBondContact O-CB 3.39Å; D27-Q30 PolarHBondContact O-N 2.95Å; D27-N31 WeakPolarHBondContact O-CB 3.38Å; D27-N31 PolarHBondContact O-N 2.91Å; D27-N31 PolarHBondContact O-ND2 3.42Å
28E96.7Very high96.2Very high30 Ų3039.8 Ų39.814%0.1421%0.211CC..Hα-helixtrans-69-42.5177.8-62.6-179.9162.200112.3M1 L24 R25 F26 Q30 N31 W32M1-E28 PolarHBondContact N-OE1 3.3Å; M1-E28 PolarHBondContact N-OE2 3.23Å; L24-E28 HydrophobicContact CD2-CB 4.29Å; R25-E28 HydrophobicContact CB-CB 4.43Å; R25-E28 HydrophobicContact CB-CG 4Å; R25-E28 IonicContact CZ-OE1 2.71Å; R25-E28 PolarHBondContact N-OE2 3.49Å; R25-E28 IonicContact NE-OE1 3.99Å; R25-E28 PolarHBondContact NE-OE1 2.99Å; R25-E28 IonicContact NH2-OE1 3.96Å; R25-E28 PolarHBondContact NH2-OE1 3.5Å; R25-E28 WeakPolarHBondContact O-CB 3.32Å; R25-E28 PolarHBondContact O-N 3.46Å; R25-E28 VanDerWaalsContact O-N 3.1Å; F26-E28 VanDerWaalsContact C-N 3.3Å; F26-E28 PolarHBondContact O-N 3.34Å; E28-Q30 VanDerWaalsContact C-N 3.28Å; E28-Q30 PolarHBondContact O-N 3.11Å; E28-N31 PolarHBondContact O-N 2.88Å; E28-W32 VanDerWaalsContact O-CB 3.31Å; E28-W32 WeakPolarHBondContact O-CB 3.31Å; E28-W32 PolarHBondContact O-N 2.77Å
29M97.5Very high96.5Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-60.5-42.1173178.159.472.200110.7I21 L24 R25 F26 W32 L33 A43 I46 F47I21-M29 HydrophobicContact CD1-CE 3.92Å; I21-M29 HydrophobicContact CG1-CE 3.61Å; L24-M29 HydrophobicContact CB-CE 4.49Å; L24-M29 HydrophobicContact CD1-CE 3.48Å; L24-M29 VanDerWaalsContact CD1-CE 3.48Å; L24-M29 HydrophobicContact CD1-SD 4.44Å; R25-M29 PolarHBondContact O-N 3.27Å; F26-M29 PolarHBondContact O-N 2.95Å; M29-W32 HydrophobicContact SD-CE3 4.18Å; M29-L33 HydrophobicContact CG-CD1 4.11Å; M29-L33 WeakPolarHBondContact O-CB 3.49Å; M29-L33 WeakPolarHBondContact O-CD1 3.47Å; M29-L33 VanDerWaalsContact O-CG 3.24Å; M29-L33 WeakPolarHBondContact O-CG 3.47Å; M29-L33 PolarHBondContact O-N 3.17Å; M29-L33 HydrophobicContact SD-CD1 4.23Å; M29-L33 HydrophobicContact SD-CG 4.21Å; M29-A43 HydrophobicContact CB-CB 4.35Å; M29-A43 HydrophobicContact CG-CB 3.79Å; M29-I46 HydrophobicContact CE-CG2 4.13Å; M29-I46 HydrophobicContact SD-CD1 3.98Å; M29-F47 HydrophobicContact CB-CE2 3.75Å; M29-F47 HydrophobicContact CB-CZ 4.37Å; M29-F47 HydrophobicContact CE-CE2 4.47Å; M29-F47 HydrophobicContact CG-CD2 4.36Å; M29-F47 HydrophobicContact CG-CE2 3.89Å
30Q97.9Very high96.8Very high32 Ų3245 Ų4515%0.1524%0.235CC..Hα-helixtrans-60.4-48.5175.7-79.1-174.9-29.600112.6F26 D27 E28 L33 V34 K40 A43F26-Q30 HydrophobicContact CD1-CG 4.5Å; F26-Q30 VanDerWaalsContact CE1-CD 3.49Å; F26-Q30 HydrophobicContact CE1-CG 4.23Å; F26-Q30 HydrophobicContact CZ-CG 4.32Å; F26-Q30 WeakPolarHBondContact O-CG 3.48Å; F26-Q30 PolarHBondContact O-N 2.77Å; D27-Q30 WeakPolarHBondContact O-CB 3.39Å; D27-Q30 PolarHBondContact O-N 2.95Å; E28-Q30 VanDerWaalsContact C-N 3.28Å; E28-Q30 PolarHBondContact O-N 3.11Å; Q30-L33 PolarHBondContact O-N 2.96Å; Q30-V34 WeakPolarHBondContact O-CG2 2.85Å; Q30-V34 PolarHBondContact O-N 3.39Å; Q30-K40 HydrophobicContact CB-CD 4.37Å; Q30-K40 HydrophobicContact CB-CG 3.83Å; Q30-K40 HydrophobicContact CG-CD 4.46Å; Q30-K40 HydrophobicContact CG-CG 3.72Å; Q30-K40 VanDerWaalsContact NE2-CE 3.32Å; Q30-A43 HydrophobicContact CB-CB 4.42Å; Q30-A43 HydrophobicContact CG-CB 3.45Å; Q30-A43 VanDerWaalsContact CG-CB 3.45Å
31N97.6Very high97Very high85 Ų8550.4 Ų50.446%0.45526%0.258SS..Hα-helixtrans-65.2-44.7-179.3-67.8-19.8000111.1D27 E28 L33 V34 E35D27-N31 WeakPolarHBondContact O-CB 3.38Å; D27-N31 PolarHBondContact O-N 2.91Å; D27-N31 PolarHBondContact O-ND2 3.42Å; E28-N31 PolarHBondContact O-N 2.88Å; N31-L33 PolarHBondContact O-N 2.9Å; N31-V34 PolarHBondContact O-N 3.12Å; N31-V34 VanDerWaalsContact O-N 3.17Å; N31-E35 WeakPolarHBondContact O-CG 3.32Å; N31-E35 PolarHBondContact O-N 2.77Å
32W97Very high97Very high8 Ų852.4 Ų52.43%0.0327%0.266CS..Hα-helixtrans-58.3-45.4176.4-176.274.7000112.4M1 E28 M29 V34 E35 Q36 L71 L72 N75 F76M1-W32 HydrophobicContact CE-CB 3.58Å; M1-W32 HydrophobicContact CE-CG 3.78Å; E28-W32 VanDerWaalsContact O-CB 3.31Å; E28-W32 WeakPolarHBondContact O-CB 3.31Å; E28-W32 PolarHBondContact O-N 2.77Å; M29-W32 HydrophobicContact SD-CE3 4.18Å; W32-V34 VanDerWaalsContact C-N 3.29Å; W32-V34 PolarHBondContact O-N 2.91Å; W32-E35 WeakPolarHBondContact O-CB 3.33Å; W32-E35 PolarHBondContact O-N 3.44Å; W32-Q36 HydrophobicContact CD2-CG 3.99Å; W32-Q36 HydrophobicContact CE3-CG 4.37Å; W32-Q36 HydrophobicContact CH2-CG 4.12Å; W32-Q36 HydrophobicContact CZ2-CG 3.69Å; W32-Q36 HydrophobicContact CZ3-CG 4.43Å; W32-Q36 WeakPolarHBondContact O-CG 3.37Å; W32-Q36 PolarHBondContact O-N 2.85Å; W32-L71 HydrophobicContact CH2-CD2 3.94Å; W32-L71 HydrophobicContact CH2-CG 3.8Å; W32-L71 HydrophobicContact CZ2-CG 4.34Å; W32-L71 HydrophobicContact CZ3-CD2 4.4Å; W32-L72 HydrophobicContact CH2-CD2 3.96Å; W32-L72 HydrophobicContact CZ3-CD2 3.65Å; W32-N75 HydrophobicContact CH2-CB 4.42Å; W32-N75 HydrophobicContact CZ2-CB 3.71Å; W32-F76 AromaticContact CD2-CE2 3.74Å; W32-F76 HydrophobicContact CD2-CE2 3.74Å; W32-F76 AromaticContact CD2-CZ 3.8Å; W32-F76 HydrophobicContact CD2-CZ 3.8Å; W32-F76 AromaticContact CE2-CE2 3.53Å; W32-F76 AromaticContact CE2-CZ 3.57Å; W32-F76 AromaticContact CE3-CE2 3.83Å; W32-F76 HydrophobicContact CE3-CE2 3.83Å; W32-F76 HydrophobicContact CE3-CZ 4.32Å; W32-F76 HydrophobicContact CG-CZ 4.17Å; W32-F76 HydrophobicContact CH2-CD2 4.24Å; W32-F76 AromaticContact CH2-CE2 3.52Å; W32-F76 HydrophobicContact CH2-CE2 3.52Å; W32-F76 HydrophobicContact CH2-CZ 4.4Å; W32-F76 HydrophobicContact CZ2-CD2 4.35Å; W32-F76 AromaticContact CZ2-CE2 3.43Å; W32-F76 HydrophobicContact CZ2-CE2 3.43Å; W32-F76 VanDerWaalsContact CZ2-CE2 3.43Å; W32-F76 AromaticContact CZ2-CZ 3.91Å; W32-F76 HydrophobicContact CZ2-CZ 3.91Å; W32-F76 AromaticContact CZ3-CE2 3.74Å; W32-F76 HydrophobicContact CZ3-CE2 3.74Å; W32-F76 AromaticContact NE1-CZ 3.79Å
33L97.9Very high97Very high0 Ų052.1 Ų52.10%026%0.264CS..Hα-helixtrans-58.5-43.3177.4-76.4166.4000111.5M29 Q30 N31 Q36 G37 Q38 R42 A43 I46 L68M29-L33 HydrophobicContact CG-CD1 4.11Å; M29-L33 WeakPolarHBondContact O-CB 3.49Å; M29-L33 WeakPolarHBondContact O-CD1 3.47Å; M29-L33 VanDerWaalsContact O-CG 3.24Å; M29-L33 WeakPolarHBondContact O-CG 3.47Å; M29-L33 PolarHBondContact O-N 3.17Å; M29-L33 HydrophobicContact SD-CD1 4.23Å; M29-L33 HydrophobicContact SD-CG 4.21Å; Q30-L33 PolarHBondContact O-N 2.96Å; N31-L33 PolarHBondContact O-N 2.9Å; L33-Q36 CarbonylContact O-C 3.5Å; L33-Q36 PolarHBondContact O-N 3.22Å; L33-G37 PolarHBondContact O-N 2.96Å; L33-Q38 HydrophobicContact CB-CB 3.99Å; L33-Q38 HydrophobicContact CD2-CB 3.78Å; L33-Q38 HydrophobicContact CD2-CG 4.15Å; L33-Q38 HydrophobicContact CG-CB 4.5Å; L33-Q38 WeakPolarHBondContact O-CA 3.28Å; L33-Q38 VanDerWaalsContact O-CB 3.3Å; L33-Q38 WeakPolarHBondContact O-CB 3.49Å; L33-Q38 PolarHBondContact O-N 3.12Å; L33-R42 HydrophobicContact CD1-CB 4.07Å; L33-A43 HydrophobicContact CD1-CB 3.81Å; L33-I46 HydrophobicContact CD1-CD1 4.1Å; L33-I46 HydrophobicContact CD2-CD1 4.14Å; L33-L68 HydrophobicContact CD2-CD1 3.89Å
34V97.6Very high97.1Very high85 Ų8557 Ų5752%0.51529%0.286SS..Hα-helixtrans-63.1-43177.6172.90000111.2Q30 N31 W32 Q36 G37 K40Q30-V34 WeakPolarHBondContact O-CG2 2.85Å; Q30-V34 PolarHBondContact O-N 3.39Å; N31-V34 PolarHBondContact O-N 3.12Å; N31-V34 VanDerWaalsContact O-N 3.17Å; W32-V34 VanDerWaalsContact C-N 3.29Å; W32-V34 PolarHBondContact O-N 2.91Å; V34-Q36 PolarHBondContact O-N 3.33Å; V34-G37 PolarHBondContact O-N 2.91Å; V34-K40 HydrophobicContact CG2-CB 4.21Å
35E97Very high97.1Very high139 Ų13959.3 Ų59.365%0.6530%0.296SS*.Hα-helixtrans-60.5-32.7175.2-70.2170.7-176.700112.4N31 W32 G37N31-E35 WeakPolarHBondContact O-CG 3.32Å; N31-E35 PolarHBondContact O-N 2.77Å; W32-E35 WeakPolarHBondContact O-CB 3.33Å; W32-E35 PolarHBondContact O-N 3.44Å; E35-G37 VanDerWaalsContact C-N 3.28Å; E35-G37 PolarHBondContact O-N 3.43Å
36Q96.3Very high97.2Very high81 Ų8156.4 Ų56.438%0.37929%0.285SS..THydrogen-bonded Turntrans-87.312.9175.1-56.5-54.9-52.200113.9W32 L33 V34 Q38 L71W32-Q36 HydrophobicContact CD2-CG 3.99Å; W32-Q36 HydrophobicContact CE3-CG 4.37Å; W32-Q36 HydrophobicContact CH2-CG 4.12Å; W32-Q36 HydrophobicContact CZ2-CG 3.69Å; W32-Q36 HydrophobicContact CZ3-CG 4.43Å; W32-Q36 WeakPolarHBondContact O-CG 3.37Å; W32-Q36 PolarHBondContact O-N 2.85Å; L33-Q36 CarbonylContact O-C 3.5Å; L33-Q36 PolarHBondContact O-N 3.22Å; V34-Q36 PolarHBondContact O-N 3.33Å; Q36-Q38 VanDerWaalsContact C-N 3.28Å; Q36-Q38 PolarHBondContact O-N 2.72Å; Q36-L71 HydrophobicContact CB-CD2 3.69Å; Q36-L71 HydrophobicContact CG-CD2 4.13Å
37G96.5Very high97.2Very high71 Ų7155.1 Ų55.173%0.73228%0.28SS*.THydrogen-bonded Turntrans71.617.4179.100000114.8L33 V34 E35L33-G37 PolarHBondContact O-N 2.96Å; V34-G37 PolarHBondContact O-N 2.91Å; E35-G37 VanDerWaalsContact C-N 3.28Å; E35-G37 PolarHBondContact O-N 3.43Å
38Q97Very high97.3Very high45 Ų4554.7 Ų54.721%0.2128%0.276CS..  trans-97.1158177.3-60-66.5-38.100111.7L33 Q36 L68 L71L33-Q38 HydrophobicContact CB-CB 3.99Å; L33-Q38 HydrophobicContact CD2-CB 3.78Å; L33-Q38 HydrophobicContact CD2-CG 4.15Å; L33-Q38 HydrophobicContact CG-CB 4.5Å; L33-Q38 WeakPolarHBondContact O-CA 3.28Å; L33-Q38 VanDerWaalsContact O-CB 3.3Å; L33-Q38 WeakPolarHBondContact O-CB 3.49Å; L33-Q38 PolarHBondContact O-N 3.12Å; Q36-Q38 VanDerWaalsContact C-N 3.28Å; Q36-Q38 PolarHBondContact O-N 2.72Å; Q38-L68 HydrophobicContact CG-CD1 4.11Å; Q38-L71 HydrophobicContact CG-CD2 4.1Å
39Q96.8Very high97.3Very high102 Ų10254.7 Ų54.748%0.47728%0.275SS..  trans-76.5135.2179.8-63.1141.4-16.100111.5F41 R42Q39-F41 VanDerWaalsContact C-N 3.25Å; Q39-F41 HydrophobicContact CB-CD1 3.58Å; Q39-F41 HydrophobicContact CB-CE1 3.38Å; Q39-F41 HydrophobicContact CB-CZ 4.24Å; Q39-F41 HydrophobicContact CG-CD1 4.44Å; Q39-F41 HydrophobicContact CG-CE1 3.86Å; Q39-F41 PolarHBondContact O-N 2.93Å; Q39-F41 VanDerWaalsContact O-N 3.12Å; Q39-F41 VanDerWaalsContact OE1-CZ 3.25Å; Q39-R42 HydrophobicContact CB-CG 4.34Å; Q39-R42 VanDerWaalsContact O-CB 3.32Å; Q39-R42 WeakPolarHBondContact O-CB 3.5Å; Q39-R42 WeakPolarHBondContact O-CG 3.5Å; Q39-R42 PolarHBondContact O-N 2.95Å
40K96.5Very high97.4Very high108 Ų10854.7 Ų54.747%0.4728%0.275SS..THydrogen-bonded Turntrans-52.6-35.4-178.5-171.8172.1179.7172.30114.6Q30 V34 R42 A43Q30-K40 HydrophobicContact CB-CD 4.37Å; Q30-K40 HydrophobicContact CB-CG 3.83Å; Q30-K40 HydrophobicContact CG-CD 4.46Å; Q30-K40 HydrophobicContact CG-CG 3.72Å; Q30-K40 VanDerWaalsContact NE2-CE 3.32Å; V34-K40 HydrophobicContact CG2-CB 4.21Å; K40-R42 PolarHBondContact O-N 3.06Å; K40-A43 WeakPolarHBondContact O-CB 3.48Å; K40-A43 PolarHBondContact O-N 2.86Å
41F96.5Very high97.3Very high115 Ų11553.2 Ų53.250%0.50427%0.268SS..THydrogen-bonded Turntrans-65.9-20.1-178.576-98000113.4Q39 A43 K44Q39-F41 VanDerWaalsContact C-N 3.25Å; Q39-F41 HydrophobicContact CB-CD1 3.58Å; Q39-F41 HydrophobicContact CB-CE1 3.38Å; Q39-F41 HydrophobicContact CB-CZ 4.24Å; Q39-F41 HydrophobicContact CG-CD1 4.44Å; Q39-F41 HydrophobicContact CG-CE1 3.86Å; Q39-F41 PolarHBondContact O-N 2.93Å; Q39-F41 VanDerWaalsContact O-N 3.12Å; Q39-F41 VanDerWaalsContact OE1-CZ 3.25Å; F41-A43 PolarHBondContact O-N 3.07Å; F41-K44 WeakPolarHBondContact O-CB 3.48Å; F41-K44 PolarHBondContact O-N 3.39Å; F41-K44 VanDerWaalsContact O-N 3.1Å
42R97.4Very high97.2Very high42 Ų4254.2 Ų54.216%0.15827%0.27CS..Hα-helixtrans-64.6-22.6179.4-65.4176.5169.8-120.65.8112.3L33 Q39 K40 K44 Q45 I46 S65 L68L33-R42 HydrophobicContact CD1-CB 4.07Å; Q39-R42 HydrophobicContact CB-CG 4.34Å; Q39-R42 VanDerWaalsContact O-CB 3.32Å; Q39-R42 WeakPolarHBondContact O-CB 3.5Å; Q39-R42 WeakPolarHBondContact O-CG 3.5Å; Q39-R42 PolarHBondContact O-N 2.95Å; K40-R42 PolarHBondContact O-N 3.06Å; R42-K44 VanDerWaalsContact C-N 3.25Å; R42-K44 PolarHBondContact O-N 3.5Å; R42-Q45 PolarHBondContact O-N 3Å; R42-Q45 VanDerWaalsContact O-N 3.17Å; R42-I46 WeakPolarHBondContact O-CG1 3.37Å; R42-I46 PolarHBondContact O-N 2.85Å; R42-S65 PolarHBondContact NH1-OG 3.49Å; R42-S65 VanDerWaalsContact NH1-OG 3.15Å; R42-L68 HydrophobicContact CB-CD2 4.3Å; R42-L68 HydrophobicContact CG-CD2 4.48Å; R42-L68 VanDerWaalsContact NH1-CD2 3.33Å
43A97.6Very high97.1Very high0 Ų059.1 Ų59.10%029%0.291CS..Hα-helixtrans-55.3-42.9171.900000111.5F26 M29 Q30 L33 K40 F41 Q45 I46 F47F26-A43 HydrophobicContact CD2-CB 4.28Å; F26-A43 HydrophobicContact CE2-CB 3.75Å; F26-A43 HydrophobicContact CZ-CB 4.25Å; M29-A43 HydrophobicContact CB-CB 4.35Å; M29-A43 HydrophobicContact CG-CB 3.79Å; Q30-A43 HydrophobicContact CB-CB 4.42Å; Q30-A43 HydrophobicContact CG-CB 3.45Å; Q30-A43 VanDerWaalsContact CG-CB 3.45Å; L33-A43 HydrophobicContact CD1-CB 3.81Å; K40-A43 WeakPolarHBondContact O-CB 3.48Å; K40-A43 PolarHBondContact O-N 2.86Å; F41-A43 PolarHBondContact O-N 3.07Å; A43-Q45 PolarHBondContact O-N 3.29Å; A43-I46 PolarHBondContact O-N 3.49Å; A43-F47 WeakPolarHBondContact O-CB 3.32Å; A43-F47 WeakPolarHBondContact O-CD2 3.44Å; A43-F47 PolarHBondContact O-N 2.75Å
44K97.8Very high97Very high104 Ų10461.4 Ų61.445%0.45230%0.3SS..Hα-helixtrans-64.1-42.2178.7-174.3174.8178.1175.90111.6F26 F41 R42 I46 F47 E48F26-K44 HydrophobicContact CE2-CB 4.32Å; F26-K44 HydrophobicContact CZ-CB 4.34Å; F41-K44 WeakPolarHBondContact O-CB 3.48Å; F41-K44 PolarHBondContact O-N 3.39Å; F41-K44 VanDerWaalsContact O-N 3.1Å; R42-K44 VanDerWaalsContact C-N 3.25Å; R42-K44 PolarHBondContact O-N 3.5Å; K44-I46 VanDerWaalsContact C-N 3.34Å; K44-I46 PolarHBondContact O-N 3.47Å; K44-F47 PolarHBondContact O-N 2.93Å; K44-E48 VanDerWaalsContact CE-OE1 3.27Å; K44-E48 WeakPolarHBondContact CE-OE1 3.34Å; K44-E48 HydrophobicContact CG-CG 4.5Å; K44-E48 WeakPolarHBondContact O-CB 3.5Å; K44-E48 VanDerWaalsContact O-CG 3.29Å; K44-E48 WeakPolarHBondContact O-CG 3.43Å; K44-E48 PolarHBondContact O-N 2.62Å
45Q97.7Very high96.9Very high47 Ų4757.6 Ų57.622%0.2228%0.277CS..Hα-helixtrans-62.5-42.6176.8-60.3179.1-58.100111.5R42 A43 E48 W49 L64R42-Q45 PolarHBondContact O-N 3Å; R42-Q45 VanDerWaalsContact O-N 3.17Å; A43-Q45 PolarHBondContact O-N 3.29Å; Q45-E48 PolarHBondContact O-N 3.21Å; Q45-W49 PolarHBondContact O-N 3.11Å; Q45-L64 HydrophobicContact CB-CD2 3.83Å
46I98.3Very high96.6Very high0 Ų055.5 Ų55.50%027%0.27CS..Hα-helixtrans-62.3-48.3176.2-67.3162.4000110I21 M29 L33 R42 A43 K44 E48 W49 L50 L64 L72I21-I46 HydrophobicContact CD1-CG2 4Å; M29-I46 HydrophobicContact CE-CG2 4.13Å; M29-I46 HydrophobicContact SD-CD1 3.98Å; L33-I46 HydrophobicContact CD1-CD1 4.1Å; L33-I46 HydrophobicContact CD2-CD1 4.14Å; R42-I46 WeakPolarHBondContact O-CG1 3.37Å; R42-I46 PolarHBondContact O-N 2.85Å; A43-I46 PolarHBondContact O-N 3.49Å; K44-I46 VanDerWaalsContact C-N 3.34Å; K44-I46 PolarHBondContact O-N 3.47Å; I46-E48 PolarHBondContact O-N 3.43Å; I46-W49 PolarHBondContact O-N 3.32Å; I46-W49 VanDerWaalsContact O-N 3.12Å; I46-L50 HydrophobicContact CG2-CD1 3.69Å; I46-L50 HydrophobicContact CG2-CG 4.18Å; I46-L50 VanDerWaalsContact O-CG 3.32Å; I46-L50 WeakPolarHBondContact O-CG 3.45Å; I46-L50 PolarHBondContact O-N 2.78Å; I46-L64 HydrophobicContact CG1-CD1 3.81Å; I46-L64 HydrophobicContact CG1-CD2 4.42Å; I46-L72 HydrophobicContact CD1-CD1 3.96Å; I46-L72 HydrophobicContact CD1-CD2 4.12Å; I46-L72 HydrophobicContact CG1-CD1 4.11Å
47F98.1Very high96.6Very high1 Ų153.5 Ų53.50%0.00427%0.265CS..Hα-helixtrans-63.3-38.8180-88.5-129.2000112.5F26 M29 A43 K44 W49 L50 Y51 N197F26-F47 HydrophobicContact CB-CD1 4.35Å; F26-F47 HydrophobicContact CB-CE1 3.7Å; F26-F47 HydrophobicContact CB-CZ 4.01Å; F26-F47 AromaticContact CD2-CD1 3.65Å; F26-F47 HydrophobicContact CD2-CD1 3.65Å; F26-F47 HydrophobicContact CD2-CD2 4.14Å; F26-F47 AromaticContact CD2-CE1 3.77Å; F26-F47 HydrophobicContact CD2-CE1 3.77Å; F26-F47 HydrophobicContact CD2-CE2 4.26Å; F26-F47 AromaticContact CD2-CG 3.86Å; F26-F47 HydrophobicContact CD2-CG 3.86Å; F26-F47 HydrophobicContact CD2-CZ 4.09Å; F26-F47 HydrophobicContact CE2-CD1 4.48Å; F26-F47 HydrophobicContact CE2-CG 4.36Å; F26-F47 HydrophobicContact CG-CD1 4.44Å; F26-F47 HydrophobicContact CG-CE1 4.23Å; M29-F47 HydrophobicContact CB-CE2 3.75Å; M29-F47 HydrophobicContact CB-CZ 4.37Å; M29-F47 HydrophobicContact CE-CE2 4.47Å; M29-F47 HydrophobicContact CG-CD2 4.36Å; M29-F47 HydrophobicContact CG-CE2 3.89Å; A43-F47 WeakPolarHBondContact O-CB 3.32Å; A43-F47 WeakPolarHBondContact O-CD2 3.44Å; A43-F47 PolarHBondContact O-N 2.75Å; K44-F47 PolarHBondContact O-N 2.93Å; F47-W49 VanDerWaalsContact C-N 3.31Å; F47-W49 PolarHBondContact O-N 3.42Å; F47-L50 PolarHBondContact O-N 2.69Å; F47-Y51 HydrophobicContact CB-CD2 4.01Å; F47-Y51 HydrophobicContact CB-CE2 4.31Å; F47-Y51 AromaticContact CD1-CD2 3.77Å; F47-Y51 HydrophobicContact CD1-CD2 3.77Å; F47-Y51 AromaticContact CD1-CE2 3.48Å; F47-Y51 HydrophobicContact CD1-CE2 3.48Å; F47-Y51 VanDerWaalsContact CD1-CE2 3.48Å; F47-Y51 HydrophobicContact CD2-CE2 4.21Å; F47-Y51 HydrophobicContact CE1-CD2 4.4Å; F47-Y51 AromaticContact CE1-CE2 3.68Å; F47-Y51 HydrophobicContact CE1-CE2 3.68Å; F47-Y51 HydrophobicContact CE2-CE2 4.36Å; F47-Y51 AromaticContact CG-CD2 3.95Å; F47-Y51 HydrophobicContact CG-CD2 3.95Å; F47-Y51 AromaticContact CG-CE2 3.75Å; F47-Y51 HydrophobicContact CG-CE2 3.75Å; F47-Y51 HydrophobicContact CZ-CE2 4.11Å; F47-Y51 VanDerWaalsContact O-CD2 3.31Å; F47-Y51 WeakPolarHBondContact O-CD2 3.3Å; F47-Y51 PolarHBondContact O-N 2.86Å; F47-N197 HydrophobicContact CB-CB 4.48Å; F47-N197 HydrophobicContact CD1-CB 4.1Å
48E97.7Very high96.6Very high54 Ų5450.5 Ų50.525%0.25223%0.232SC..Iπ-helixtrans-57.3-43.2172.1-76.1169-174.100111.7K44 Q45 I46 Q52 K53K44-E48 VanDerWaalsContact CE-OE1 3.27Å; K44-E48 WeakPolarHBondContact CE-OE1 3.34Å; K44-E48 HydrophobicContact CG-CG 4.5Å; K44-E48 WeakPolarHBondContact O-CB 3.5Å; K44-E48 VanDerWaalsContact O-CG 3.29Å; K44-E48 WeakPolarHBondContact O-CG 3.43Å; K44-E48 PolarHBondContact O-N 2.62Å; Q45-E48 PolarHBondContact O-N 3.21Å; I46-E48 PolarHBondContact O-N 3.43Å; E48-Q52 WeakPolarHBondContact O-CB 3.36Å; E48-Q52 PolarHBondContact O-N 3.07Å; E48-Q52 VanDerWaalsContact O-N 3.14Å; E48-K53 PolarHBondContact O-N 2.96Å
49W97.8Very high96.6Very high29 Ų2952.5 Ų52.511%0.1124%0.244CC..Iπ-helixtrans-67.3-40.8175.5-75.9110.7000113.3Q45 I46 F47 K53 R54 V55 E60 M61 N63Q45-W49 PolarHBondContact O-N 3.11Å; I46-W49 PolarHBondContact O-N 3.32Å; I46-W49 VanDerWaalsContact O-N 3.12Å; F47-W49 VanDerWaalsContact C-N 3.31Å; F47-W49 PolarHBondContact O-N 3.42Å; W49-K53 HydrophobicContact CD2-CD 3.61Å; W49-K53 HydrophobicContact CE3-CB 3.91Å; W49-K53 HydrophobicContact CE3-CD 3.12Å; W49-K53 HydrophobicContact CE3-CG 4.16Å; W49-K53 HydrophobicContact CG-CD 4.4Å; W49-K53 HydrophobicContact CH2-CD 3.9Å; W49-K53 HydrophobicContact CZ2-CD 4.28Å; W49-K53 HydrophobicContact CZ3-CB 4.43Å; W49-K53 HydrophobicContact CZ3-CD 3.31Å; W49-K53 HydrophobicContact CZ3-CG 4.5Å; W49-K53 CarbonylContact O-C 3.56Å; W49-R54 PolarHBondContact O-N 3.21Å; W49-V55 HydrophobicContact CB-CG1 4.45Å; W49-V55 HydrophobicContact CB-CG2 4.23Å; W49-V55 HydrophobicContact CD2-CG1 4.36Å; W49-V55 HydrophobicContact CE3-CG1 3.43Å; W49-V55 VanDerWaalsContact CE3-CG1 3.43Å; W49-V55 HydrophobicContact CZ3-CG1 4.06Å; W49-V55 PolarHBondContact O-N 2.84Å; W49-V55 VanDerWaalsContact O-N 3.12Å; W49-E60 VanDerWaalsContact CH2-O 3.28Å; W49-E60 WeakPolarHBondContact CH2-O 3.38Å; W49-E60 VanDerWaalsContact CZ3-O 3.27Å; W49-E60 WeakPolarHBondContact CZ3-O 3.46Å; W49-M61 HydrophobicContact CB-CE 4.17Å; W49-M61 HydrophobicContact CB-CG 3.77Å; W49-M61 HydrophobicContact CB-SD 4.23Å; W49-M61 HydrophobicContact CD2-CB 4.28Å; W49-M61 HydrophobicContact CD2-CG 4.26Å; W49-M61 HydrophobicContact CG-CB 3.99Å; W49-M61 HydrophobicContact CG-CG 3.74Å; W49-N63 PolarHBondContact NE1-OD1 2.84Å
50L97.7Very high96.6Very high0 Ų051.7 Ų51.70%024%0.24CC..Iπ-helixtrans-72.3-44.3-176.4-71.9179.4000113I21 Y22 I46 F47 R54 M61I21-L50 HydrophobicContact CD1-CD1 4.01Å; I21-L50 HydrophobicContact CG1-CD1 3.98Å; I21-L50 HydrophobicContact CG2-CD1 4.01Å; I21-L50 HydrophobicContact CG2-CD2 3.8Å; Y22-L50 HydrophobicContact CD1-CB 4.46Å; Y22-L50 HydrophobicContact CD1-CD2 4.43Å; Y22-L50 HydrophobicContact CE1-CB 3.79Å; Y22-L50 HydrophobicContact CE1-CD1 4.45Å; Y22-L50 HydrophobicContact CE1-CD2 3.71Å; Y22-L50 HydrophobicContact CE1-CG 4.17Å; I46-L50 HydrophobicContact CG2-CD1 3.69Å; I46-L50 HydrophobicContact CG2-CG 4.18Å; I46-L50 VanDerWaalsContact O-CG 3.32Å; I46-L50 WeakPolarHBondContact O-CG 3.45Å; I46-L50 PolarHBondContact O-N 2.78Å; F47-L50 PolarHBondContact O-N 2.69Å; L50-R54 WeakPolarHBondContact O-CA 3.24Å; L50-M61 HydrophobicContact CD2-CE 3.51Å; L50-M61 HydrophobicContact CG-CE 3.96Å
51Y97Very high96.6Very high2 Ų246.5 Ų46.51%0.00822%0.218CC..Iπ-helixtrans-107.4-34.8-168.3-59.8-77.6000113.6Y22 F47 R54 V151 L155 I192 S198 L199Y22-Y51 HydrophobicContact CD1-CE1 4.12Å; F47-Y51 HydrophobicContact CB-CD2 4.01Å; F47-Y51 HydrophobicContact CB-CE2 4.31Å; F47-Y51 AromaticContact CD1-CD2 3.77Å; F47-Y51 HydrophobicContact CD1-CD2 3.77Å; F47-Y51 AromaticContact CD1-CE2 3.48Å; F47-Y51 HydrophobicContact CD1-CE2 3.48Å; F47-Y51 VanDerWaalsContact CD1-CE2 3.48Å; F47-Y51 HydrophobicContact CD2-CE2 4.21Å; F47-Y51 HydrophobicContact CE1-CD2 4.4Å; F47-Y51 AromaticContact CE1-CE2 3.68Å; F47-Y51 HydrophobicContact CE1-CE2 3.68Å; F47-Y51 HydrophobicContact CE2-CE2 4.36Å; F47-Y51 AromaticContact CG-CD2 3.95Å; F47-Y51 HydrophobicContact CG-CD2 3.95Å; F47-Y51 AromaticContact CG-CE2 3.75Å; F47-Y51 HydrophobicContact CG-CE2 3.75Å; F47-Y51 HydrophobicContact CZ-CE2 4.11Å; F47-Y51 VanDerWaalsContact O-CD2 3.31Å; F47-Y51 WeakPolarHBondContact O-CD2 3.3Å; F47-Y51 PolarHBondContact O-N 2.86Å; Y51-R54 VanDerWaalsContact O-CG 3.29Å; Y51-R54 WeakPolarHBondContact O-CG 3.45Å; Y51-R54 PolarHBondContact O-NH1 3.23Å; Y51-V151 HydrophobicContact CE1-CG1 3.86Å; Y51-L155 HydrophobicContact CD1-CD1 4.38Å; Y51-L155 HydrophobicContact CD1-CD2 4.08Å; Y51-L155 HydrophobicContact CE1-CD1 4.39Å; Y51-I192 HydrophobicContact CE1-CG2 3.98Å; Y51-I192 VanDerWaalsContact OH-CG2 3.31Å; Y51-I192 WeakPolarHBondContact OH-CG2 3.41Å; Y51-S198 WeakPolarHBondContact CB-O 3.31Å; Y51-L199 HydrophobicContact CD1-CG 4.28Å
52Q94.9Very high96.5Very high106 Ų10646 Ų4650%0.49522%0.224SC..Iπ-helixtrans-90-46179.2-57.5178.918.100111.9E48 R54E48-Q52 WeakPolarHBondContact O-CB 3.36Å; E48-Q52 PolarHBondContact O-N 3.07Å; E48-Q52 VanDerWaalsContact O-N 3.14Å; Q52-R54 VanDerWaalsContact O-CZ 3.25Å; Q52-R54 PolarHBondContact O-NH1 3.1Å; Q52-R54 PolarHBondContact O-NH2 3.12Å
53K95.1Very high96.4Very high110 Ų11047.5 Ų47.548%0.47824%0.235SC..SBendtrans-90.2-18178.5-58.9178.1175.9179.70113.2E48 W49 V55E48-K53 PolarHBondContact O-N 2.96Å; W49-K53 HydrophobicContact CD2-CD 3.61Å; W49-K53 HydrophobicContact CE3-CB 3.91Å; W49-K53 HydrophobicContact CE3-CD 3.12Å; W49-K53 HydrophobicContact CE3-CG 4.16Å; W49-K53 HydrophobicContact CG-CD 4.4Å; W49-K53 HydrophobicContact CH2-CD 3.9Å; W49-K53 HydrophobicContact CZ2-CD 4.28Å; W49-K53 HydrophobicContact CZ3-CB 4.43Å; W49-K53 HydrophobicContact CZ3-CD 3.31Å; W49-K53 HydrophobicContact CZ3-CG 4.5Å; W49-K53 CarbonylContact O-C 3.56Å; K53-V55 PolarHBondContact O-N 3.24Å
54R95.4Very high96.3Very high48 Ų4847.8 Ų47.818%0.18124%0.237CC..  trans51.452.8174.1-59.7176.6-81.2-71-2112.1W49 L50 Y51 Q52 L155 K159 D162W49-R54 PolarHBondContact O-N 3.21Å; L50-R54 WeakPolarHBondContact O-CA 3.24Å; Y51-R54 VanDerWaalsContact O-CG 3.29Å; Y51-R54 WeakPolarHBondContact O-CG 3.45Å; Y51-R54 PolarHBondContact O-NH1 3.23Å; Q52-R54 VanDerWaalsContact O-CZ 3.25Å; Q52-R54 PolarHBondContact O-NH1 3.1Å; Q52-R54 PolarHBondContact O-NH2 3.12Å; R54-L155 HydrophobicContact CG-CD2 4.13Å; R54-K159 HydrophobicContact CB-CD 4.44Å; R54-K159 HydrophobicContact CB-CG 4.03Å; R54-K159 WeakPolarHBondContact O-CE 3.36Å; R54-K159 PolarHBondContact O-NZ 3.21Å; R54-D162 IonicContact CZ-OD1 3.18Å; R54-D162 IonicContact CZ-OD2 2.77Å; R54-D162 IonicContact NE-OD1 3.94Å; R54-D162 IonicContact NE-OD2 2.88Å; R54-D162 PolarHBondContact NE-OD2 3.03Å; R54-D162 IonicContact NH2-OD1 3.8Å; R54-D162 PolarHBondContact NH2-OD1 3.11Å; R54-D162 IonicContact NH2-OD2 3.45Å; R54-D162 PolarHBondContact NH2-OD2 3.3Å
55V95.1Very high96.2Very high6 Ų644.9 Ų44.94%0.03623%0.23CC..  trans-63.2152.8177.6-64.40000112.3Y22 W49 K53 S57 E60 M61Y22-V55 PolarHBondContact OH-O 3.44Å; W49-V55 HydrophobicContact CB-CG1 4.45Å; W49-V55 HydrophobicContact CB-CG2 4.23Å; W49-V55 HydrophobicContact CD2-CG1 4.36Å; W49-V55 HydrophobicContact CE3-CG1 3.43Å; W49-V55 VanDerWaalsContact CE3-CG1 3.43Å; W49-V55 HydrophobicContact CZ3-CG1 4.06Å; W49-V55 PolarHBondContact O-N 2.84Å; W49-V55 VanDerWaalsContact O-N 3.12Å; K53-V55 PolarHBondContact O-N 3.24Å; V55-S57 WeakPolarHBondContact CG2-O 3.49Å; V55-E60 HydrophobicContact CB-CB 3.95Å; V55-E60 HydrophobicContact CG1-CB 3.63Å; V55-M61 HydrophobicContact CG2-CE 3.75Å; V55-M61 HydrophobicContact CG2-CG 4.31Å
56D92.6Very high96.2Very high95 Ų9550.6 Ų50.651%0.50825%0.254SS..SBendtrans-92.3-14.6174.2-73.1-59.4000112E60 K159D56-E60 PolarHBondContact N-OE1 3.19Å; D56-K159 IonicContact OD1-NZ 3.17Å; D56-K159 PolarHBondContact OD1-NZ 2.82Å; D56-K159 IonicContact OD2-NZ 3.59Å; D56-K159 PolarHBondContact OD2-NZ 3.42Å
57S95.6Very high96.1Very high39 Ų3956.6 Ų56.627%0.27329%0.286SS..SBendtrans-144.5155.1-179.970.90000113.4V55 D59 E60V55-S57 WeakPolarHBondContact CG2-O 3.49Å; S57-D59 PolarHBondContact O-N 2.87Å; S57-E60 PolarHBondContact N-OE1 2.78Å; S57-E60 PolarHBondContact O-N 2.9Å; S57-E60 WeakPolarHBondContact OG-CG 3.34Å; S57-E60 PolarHBondContact OG-OE1 3.27Å
58I97.1Very high96.1Very high8 Ų856.6 Ų56.64%0.04129%0.286CS..G310 helixtrans-65.3-26.3173.5-67.8159.8000111.4E60 M61 R69 L72 K73 V78I58-E60 PolarHBondContact O-N 3.34Å; I58-M61 HydrophobicContact CG1-CE 4.22Å; I58-M61 HydrophobicContact CG2-SD 4.33Å; I58-M61 VanDerWaalsContact O-CB 3.32Å; I58-M61 WeakPolarHBondContact O-CB 3.37Å; I58-M61 WeakPolarHBondContact O-CG 3.41Å; I58-M61 PolarHBondContact O-N 3.35Å; I58-M61 VanDerWaalsContact O-N 3.08Å; I58-R69 HydrophobicContact CG2-CB 3.92Å; I58-R69 HydrophobicContact CG2-CG 4.01Å; I58-R69 WeakPolarHBondContact CG2-O 3.31Å; I58-R69 WeakPolarHBondContact O-CD 3.33Å; I58-L72 HydrophobicContact CD1-CB 3.87Å; I58-L72 HydrophobicContact CG1-CB 4.43Å; I58-L72 HydrophobicContact CG2-CB 4.02Å; I58-L72 HydrophobicContact CG2-CD1 4.27Å; I58-K73 HydrophobicContact CB-CD 4.37Å; I58-K73 HydrophobicContact CB-CG 3.84Å; I58-K73 HydrophobicContact CD1-CB 4.44Å; I58-K73 HydrophobicContact CD1-CG 3.74Å; I58-K73 HydrophobicContact CG1-CG 4.4Å; I58-K73 HydrophobicContact CG2-CD 4.33Å; I58-K73 HydrophobicContact CG2-CG 3.89Å; I58-V78 HydrophobicContact CD1-CG2 4.37Å; I58-V78 HydrophobicContact CG1-CG2 3.86Å
59D96.7Very high96.1Very high87 Ų8755.9 Ų55.947%0.46528%0.281SS..G310 helixtrans-65.1-25.4-178.8-68.7-52.2000112.6S57 M61 K73S57-D59 PolarHBondContact O-N 2.87Å; D59-M61 PolarHBondContact O-N 3.01Å; D59-K73 VanDerWaalsContact CG-NZ 3.27Å; D59-K73 IonicContact OD1-NZ 2.92Å; D59-K73 PolarHBondContact OD1-NZ 3.3Å; D59-K73 IonicContact OD2-NZ 2.95Å; D59-K73 PolarHBondContact OD2-NZ 3.34Å
60E96.6Very high96.1Very high84 Ų8459 Ų5939%0.39330%0.297SS..G310 helixtrans-73.9-12175.7-68.1168-90.900113.6W49 V55 D56 S57 I58 T62W49-E60 VanDerWaalsContact CH2-O 3.28Å; W49-E60 WeakPolarHBondContact CH2-O 3.38Å; W49-E60 VanDerWaalsContact CZ3-O 3.27Å; W49-E60 WeakPolarHBondContact CZ3-O 3.46Å; V55-E60 HydrophobicContact CB-CB 3.95Å; V55-E60 HydrophobicContact CG1-CB 3.63Å; D56-E60 PolarHBondContact N-OE1 3.19Å; S57-E60 PolarHBondContact N-OE1 2.78Å; S57-E60 PolarHBondContact O-N 2.9Å; S57-E60 WeakPolarHBondContact OG-CG 3.34Å; S57-E60 PolarHBondContact OG-OE1 3.27Å; I58-E60 PolarHBondContact O-N 3.34Å; E60-T62 PolarHBondContact O-N 3.46Å
61M97.2Very high96.1Very high0 Ų060.6 Ų60.60%031%0.305CS..  trans-77.866.4-179.2-54-176.8-178.800111.5W49 L50 V55 I58 D59 N63 L64 R69 L72W49-M61 HydrophobicContact CB-CE 4.17Å; W49-M61 HydrophobicContact CB-CG 3.77Å; W49-M61 HydrophobicContact CB-SD 4.23Å; W49-M61 HydrophobicContact CD2-CB 4.28Å; W49-M61 HydrophobicContact CD2-CG 4.26Å; W49-M61 HydrophobicContact CG-CB 3.99Å; W49-M61 HydrophobicContact CG-CG 3.74Å; L50-M61 HydrophobicContact CD2-CE 3.51Å; L50-M61 HydrophobicContact CG-CE 3.96Å; V55-M61 HydrophobicContact CG2-CE 3.75Å; V55-M61 HydrophobicContact CG2-CG 4.31Å; I58-M61 HydrophobicContact CG1-CE 4.22Å; I58-M61 HydrophobicContact CG2-SD 4.33Å; I58-M61 VanDerWaalsContact O-CB 3.32Å; I58-M61 WeakPolarHBondContact O-CB 3.37Å; I58-M61 WeakPolarHBondContact O-CG 3.41Å; I58-M61 PolarHBondContact O-N 3.35Å; I58-M61 VanDerWaalsContact O-N 3.08Å; D59-M61 PolarHBondContact O-N 3.01Å; M61-N63 VanDerWaalsContact C-N 3.32Å; M61-N63 PolarHBondContact O-N 3.29Å; M61-L64 HydrophobicContact CB-CD1 3.59Å; M61-L64 HydrophobicContact CB-CG 3.9Å; M61-L64 HydrophobicContact CG-CD1 4.26Å; M61-L64 WeakPolarHBondContact O-CB 3.34Å; M61-L64 PolarHBondContact O-N 3.42Å; M61-L64 VanDerWaalsContact O-N 3.11Å; M61-L64 HydrophobicContact SD-CD1 3.69Å; M61-R69 PolarHBondContact O-NH1 2.91Å; M61-L72 HydrophobicContact SD-CD1 4.41Å
62T94.4Very high96.1Very high103 Ų10360.5 Ų60.563%0.63231%0.305SS*.THydrogen-bonded Turntrans-67.9-24.1-16552.40000115.1E60 L64 R69E60-T62 PolarHBondContact O-N 3.46Å; T62-L64 VanDerWaalsContact C-N 3.27Å; T62-L64 PolarHBondContact O-N 2.91Å; T62-R69 PolarHBondContact O-NH1 2.67Å
63N93.7Very high96.2Very high74 Ų7458.7 Ų58.740%0.39630%0.295SS..THydrogen-bonded Turntrans-80.6-4.8176.173.7-8.8000113.6W49 M61W49-N63 PolarHBondContact NE1-OD1 2.84Å; M61-N63 VanDerWaalsContact C-N 3.32Å; M61-N63 PolarHBondContact O-N 3.29Å
64L96.3Very high96.2Very high7 Ų757.5 Ų57.54%0.03729%0.294CS..SBendtrans-85.4151.3172.1-53.9-174.7000110Q45 I46 M61 T62 L68 R69 L72Q45-L64 HydrophobicContact CB-CD2 3.83Å; I46-L64 HydrophobicContact CG1-CD1 3.81Å; I46-L64 HydrophobicContact CG1-CD2 4.42Å; M61-L64 HydrophobicContact CB-CD1 3.59Å; M61-L64 HydrophobicContact CB-CG 3.9Å; M61-L64 HydrophobicContact CG-CD1 4.26Å; M61-L64 WeakPolarHBondContact O-CB 3.34Å; M61-L64 PolarHBondContact O-N 3.42Å; M61-L64 VanDerWaalsContact O-N 3.11Å; M61-L64 HydrophobicContact SD-CD1 3.69Å; T62-L64 VanDerWaalsContact C-N 3.27Å; T62-L64 PolarHBondContact O-N 2.91Å; L64-L68 HydrophobicContact CB-CD2 4.22Å; L64-L68 HydrophobicContact CD1-CD2 4.26Å; L64-L68 HydrophobicContact CD1-CG 4.48Å; L64-L68 HydrophobicContact CD2-CD2 4.07Å; L64-L68 HydrophobicContact CG-CD2 4.41Å; L64-R69 HydrophobicContact CB-CG 4.08Å; L64-R69 PolarHBondContact O-NH1 3.37Å; L64-L72 HydrophobicContact CD1-CD1 3.96Å
65S96.2Very high96.2Very high43 Ų4358.2 Ų58.230%0.30130%0.302SS..  trans-64.7152.4172.451.50000110.9R42 D67 L68 R69R42-S65 PolarHBondContact NH1-OG 3.49Å; R42-S65 VanDerWaalsContact NH1-OG 3.15Å; S65-D67 PolarHBondContact O-N 3.36Å; S65-L68 PolarHBondContact O-N 3.27Å; S65-L68 VanDerWaalsContact O-N 3.13Å; S65-L68 WeakPolarHBondContact OG-CB 3.42Å; S65-L68 PolarHBondContact OG-N 3.37Å; S65-R69 PolarHBondContact O-N 2.8Å
66K96.4Very high96.2Very high166 Ų16658.4 Ų58.472%0.72230%0.302SS*.Hα-helixtrans-54.2-43.9175-72.3-178.5178.4-178.50111.2L68 R69 Q70K66-L68 VanDerWaalsContact C-N 3.32Å; K66-L68 PolarHBondContact O-N 2.96Å; K66-R69 PolarHBondContact O-N 2.82Å; K66-Q70 PolarHBondContact O-N 3.23Å
67D96.9Very high96.3Very high127 Ų12755.8 Ų55.868%0.67929%0.289SS*.Hα-helixtrans-61.9-39.1179.1-54.6-17.4000112.3S65 Q70 L71S65-D67 PolarHBondContact O-N 3.36Å; D67-Q70 PolarHBondContact O-N 2.81Å; D67-L71 WeakPolarHBondContact O-CB 3.39Å; D67-L71 PolarHBondContact O-N 3.31Å
68L97.6Very high96.2Very high0 Ų054.8 Ų54.80%028%0.282CS..Hα-helixtrans-70.5-40.9177.1176.857.9000111.7L33 Q38 R42 L64 S65 K66 Q70 L71 L72L33-L68 HydrophobicContact CD2-CD1 3.89Å; Q38-L68 HydrophobicContact CG-CD1 4.11Å; R42-L68 HydrophobicContact CB-CD2 4.3Å; R42-L68 HydrophobicContact CG-CD2 4.48Å; R42-L68 VanDerWaalsContact NH1-CD2 3.33Å; L64-L68 HydrophobicContact CB-CD2 4.22Å; L64-L68 HydrophobicContact CD1-CD2 4.26Å; L64-L68 HydrophobicContact CD1-CG 4.48Å; L64-L68 HydrophobicContact CD2-CD2 4.07Å; L64-L68 HydrophobicContact CG-CD2 4.41Å; S65-L68 PolarHBondContact O-N 3.27Å; S65-L68 VanDerWaalsContact O-N 3.13Å; S65-L68 WeakPolarHBondContact OG-CB 3.42Å; S65-L68 PolarHBondContact OG-N 3.37Å; K66-L68 VanDerWaalsContact C-N 3.32Å; K66-L68 PolarHBondContact O-N 2.96Å; L68-Q70 VanDerWaalsContact C-N 3.29Å; L68-Q70 PolarHBondContact O-N 3.4Å; L68-L71 HydrophobicContact CD1-CD2 4.21Å; L68-L71 PolarHBondContact O-N 3.5Å; L68-L72 HydrophobicContact CD1-CD1 4.32Å; L68-L72 HydrophobicContact CD1-CG 4.11Å; L68-L72 HydrophobicContact CG-CD1 4.2Å; L68-L72 HydrophobicContact CG-CG 4.46Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.34Å; L68-L72 PolarHBondContact O-N 2.92Å
69R98Very high95.9Very high39 Ų3954.7 Ų54.715%0.14728%0.282CS..Hα-helixtrans-59.8-43174.1-74.9-165.9-68.2-91-4.3111.2I58 M61 T62 L64 S65 K66 L72 K73I58-R69 HydrophobicContact CG2-CB 3.92Å; I58-R69 HydrophobicContact CG2-CG 4.01Å; I58-R69 WeakPolarHBondContact CG2-O 3.31Å; I58-R69 WeakPolarHBondContact O-CD 3.33Å; M61-R69 PolarHBondContact O-NH1 2.91Å; T62-R69 PolarHBondContact O-NH1 2.67Å; L64-R69 HydrophobicContact CB-CG 4.08Å; L64-R69 PolarHBondContact O-NH1 3.37Å; S65-R69 PolarHBondContact O-N 2.8Å; K66-R69 PolarHBondContact O-N 2.82Å; R69-L72 PolarHBondContact O-N 2.7Å; R69-K73 WeakPolarHBondContact O-CB 3.29Å; R69-K73 VanDerWaalsContact O-CG 3.28Å; R69-K73 WeakPolarHBondContact O-CG 3.43Å; R69-K73 PolarHBondContact O-N 2.63Å
70Q97.6Very high95.5Very high94 Ų9453.5 Ų53.544%0.43928%0.277SS..Hα-helixtrans-63.6-47.3176.9-169.858.449.700111.2K66 D67 L68 L72 K73 D74K66-Q70 PolarHBondContact O-N 3.23Å; D67-Q70 PolarHBondContact O-N 2.81Å; L68-Q70 VanDerWaalsContact C-N 3.29Å; L68-Q70 PolarHBondContact O-N 3.4Å; Q70-L72 VanDerWaalsContact C-N 3.31Å; Q70-L72 PolarHBondContact O-N 2.89Å; Q70-K73 CarbonylContact O-C 3.59Å; Q70-K73 WeakPolarHBondContact O-CB 3.27Å; Q70-K73 PolarHBondContact O-N 3.42Å; Q70-K73 VanDerWaalsContact O-N 3.07Å; Q70-D74 PolarHBondContact NE2-OD1 3.13Å; Q70-D74 WeakPolarHBondContact O-CB 3.28Å; Q70-D74 PolarHBondContact O-N 3.46Å
71L97Very high95.4Very high35 Ų3550.2 Ų50.218%0.18326%0.263CS..Hα-helixtrans-56.3-43.6176.5-179.170.9000112.3W32 Q36 Q38 D67 L68 D74 N75W32-L71 HydrophobicContact CH2-CD2 3.94Å; W32-L71 HydrophobicContact CH2-CG 3.8Å; W32-L71 HydrophobicContact CZ2-CG 4.34Å; W32-L71 HydrophobicContact CZ3-CD2 4.4Å; Q36-L71 HydrophobicContact CB-CD2 3.69Å; Q36-L71 HydrophobicContact CG-CD2 4.13Å; Q38-L71 HydrophobicContact CG-CD2 4.1Å; D67-L71 WeakPolarHBondContact O-CB 3.39Å; D67-L71 PolarHBondContact O-N 3.31Å; L68-L71 HydrophobicContact CD1-CD2 4.21Å; L68-L71 PolarHBondContact O-N 3.5Å; L71-D74 PolarHBondContact O-N 2.89Å; L71-N75 PolarHBondContact O-N 3.12Å; L71-N75 PolarHBondContact O-ND2 3.23Å
72L97.7Very high95.2Very high0 Ų054.2 Ų54.20%029%0.287CS..Hα-helixtrans-63.8-45.1175.2-70.8170.3000111.3I21 W32 I46 I58 M61 L64 L68 R69 Q70 D74 N75 F76I21-L72 HydrophobicContact CD1-CD2 4.08Å; W32-L72 HydrophobicContact CH2-CD2 3.96Å; W32-L72 HydrophobicContact CZ3-CD2 3.65Å; I46-L72 HydrophobicContact CD1-CD1 3.96Å; I46-L72 HydrophobicContact CD1-CD2 4.12Å; I46-L72 HydrophobicContact CG1-CD1 4.11Å; I58-L72 HydrophobicContact CD1-CB 3.87Å; I58-L72 HydrophobicContact CG1-CB 4.43Å; I58-L72 HydrophobicContact CG2-CB 4.02Å; I58-L72 HydrophobicContact CG2-CD1 4.27Å; M61-L72 HydrophobicContact SD-CD1 4.41Å; L64-L72 HydrophobicContact CD1-CD1 3.96Å; L68-L72 HydrophobicContact CD1-CD1 4.32Å; L68-L72 HydrophobicContact CD1-CG 4.11Å; L68-L72 HydrophobicContact CG-CD1 4.2Å; L68-L72 HydrophobicContact CG-CG 4.46Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.34Å; L68-L72 PolarHBondContact O-N 2.92Å; R69-L72 PolarHBondContact O-N 2.7Å; Q70-L72 VanDerWaalsContact C-N 3.31Å; Q70-L72 PolarHBondContact O-N 2.89Å; L72-D74 VanDerWaalsContact C-N 3.25Å; L72-D74 PolarHBondContact O-N 3.19Å; L72-N75 PolarHBondContact O-N 2.62Å; L72-F76 HydrophobicContact CD2-CD2 4.02Å; L72-F76 HydrophobicContact CD2-CE2 4.28Å; L72-F76 PolarHBondContact O-N 3.27Å
73K96.7Very high95.3Very high67 Ų6752.4 Ų52.429%0.29128%0.276SS..Hα-helixtrans-63.4-31.9178-74172.366.7162.50112.3K18 I58 D59 R69 Q70 N75K18-K73 PolarHBondContact NZ-O 3.06Å; I58-K73 HydrophobicContact CB-CD 4.37Å; I58-K73 HydrophobicContact CB-CG 3.84Å; I58-K73 HydrophobicContact CD1-CB 4.44Å; I58-K73 HydrophobicContact CD1-CG 3.74Å; I58-K73 HydrophobicContact CG1-CG 4.4Å; I58-K73 HydrophobicContact CG2-CD 4.33Å; I58-K73 HydrophobicContact CG2-CG 3.89Å; D59-K73 VanDerWaalsContact CG-NZ 3.27Å; D59-K73 IonicContact OD1-NZ 2.92Å; D59-K73 PolarHBondContact OD1-NZ 3.3Å; D59-K73 IonicContact OD2-NZ 2.95Å; D59-K73 PolarHBondContact OD2-NZ 3.34Å; R69-K73 WeakPolarHBondContact O-CB 3.29Å; R69-K73 VanDerWaalsContact O-CG 3.28Å; R69-K73 WeakPolarHBondContact O-CG 3.43Å; R69-K73 PolarHBondContact O-N 2.63Å; Q70-K73 CarbonylContact O-C 3.59Å; Q70-K73 WeakPolarHBondContact O-CB 3.27Å; Q70-K73 PolarHBondContact O-N 3.42Å; Q70-K73 VanDerWaalsContact O-N 3.07Å; K73-N75 VanDerWaalsContact C-N 3.33Å
74D95.8Very high95.3Very high85 Ų8551.5 Ų51.546%0.45527%0.273SS..Hα-helixtrans-72.3-28.8179.3-67.5-19.8000112K18 Q70 L71 L72K18-D74 WeakPolarHBondContact CE-O 3.05Å; K18-D74 PolarHBondContact NZ-O 3.13Å; Q70-D74 PolarHBondContact NE2-OD1 3.13Å; Q70-D74 WeakPolarHBondContact O-CB 3.28Å; Q70-D74 PolarHBondContact O-N 3.46Å; L71-D74 PolarHBondContact O-N 2.89Å; L72-D74 VanDerWaalsContact C-N 3.25Å; L72-D74 PolarHBondContact O-N 3.19Å
75N95.1Very high95.2Very high63 Ų6352.6 Ų52.634%0.33728%0.28SS..Hα-helixtrans-108.1-27.3-173-70.6-87.5000114.5W32 L71 L72 K73W32-N75 HydrophobicContact CH2-CB 4.42Å; W32-N75 HydrophobicContact CZ2-CB 3.71Å; L71-N75 PolarHBondContact O-N 3.12Å; L71-N75 PolarHBondContact O-ND2 3.23Å; L72-N75 PolarHBondContact O-N 2.62Å; K73-N75 VanDerWaalsContact C-N 3.33Å
76F95.9Very high95.2Very high10 Ų1056 Ų564%0.04429%0.289CS..EExtended strand (participates in β ladder)trans-133159.7-171.9-53.9-64000113.1Q19 I21 L24 W32 L72Q19-F76 WeakPolarHBondContact O-CA 3.43Å; I21-F76 HydrophobicContact CB-CB 3.89Å; I21-F76 HydrophobicContact CB-CG 4.35Å; I21-F76 HydrophobicContact CG1-CB 4.34Å; I21-F76 HydrophobicContact CG1-CD2 4.41Å; I21-F76 HydrophobicContact CG1-CG 4.39Å; L24-F76 HydrophobicContact CD1-CD1 4.24Å; L24-F76 HydrophobicContact CD1-CE1 3.69Å; L24-F76 HydrophobicContact CD1-CE2 4.09Å; L24-F76 HydrophobicContact CD1-CZ 3.6Å; W32-F76 AromaticContact CD2-CE2 3.74Å; W32-F76 HydrophobicContact CD2-CE2 3.74Å; W32-F76 AromaticContact CD2-CZ 3.8Å; W32-F76 HydrophobicContact CD2-CZ 3.8Å; W32-F76 AromaticContact CE2-CE2 3.53Å; W32-F76 AromaticContact CE2-CZ 3.57Å; W32-F76 AromaticContact CE3-CE2 3.83Å; W32-F76 HydrophobicContact CE3-CE2 3.83Å; W32-F76 HydrophobicContact CE3-CZ 4.32Å; W32-F76 HydrophobicContact CG-CZ 4.17Å; W32-F76 HydrophobicContact CH2-CD2 4.24Å; W32-F76 AromaticContact CH2-CE2 3.52Å; W32-F76 HydrophobicContact CH2-CE2 3.52Å; W32-F76 HydrophobicContact CH2-CZ 4.4Å; W32-F76 HydrophobicContact CZ2-CD2 4.35Å; W32-F76 AromaticContact CZ2-CE2 3.43Å; W32-F76 HydrophobicContact CZ2-CE2 3.43Å; W32-F76 VanDerWaalsContact CZ2-CE2 3.43Å; W32-F76 AromaticContact CZ2-CZ 3.91Å; W32-F76 HydrophobicContact CZ2-CZ 3.91Å; W32-F76 AromaticContact CZ3-CE2 3.74Å; W32-F76 HydrophobicContact CZ3-CE2 3.74Å; W32-F76 AromaticContact NE1-CZ 3.79Å; L72-F76 HydrophobicContact CD2-CD2 4.02Å; L72-F76 HydrophobicContact CD2-CE2 4.28Å; L72-F76 PolarHBondContact O-N 3.27Å
77T93.9Very high95.1Very high40 Ų4050.1 Ų50.125%0.24527%0.265CS..EExtended strand (participates in β ladder)trans-113.1147.8168.451.90000110.1K18 Q19 S20 I21K18-T77 HydrophobicContact CB-CG2 3.75Å; K18-T77 HydrophobicContact CD-CG2 4.22Å; Q19-T77 PolarHBondContact O-N 2.91Å; Q19-T77 PolarHBondContact O-OG1 2.82Å; S20-T77 CarbonylContact C-O 3.55Å; S20-T77 WeakPolarHBondContact CA-O 3.37Å; I21-T77 PolarHBondContact N-O 3.13Å
78V94.1Very high95Very high18 Ų1849.7 Ų49.711%0.10926%0.258CS..  trans-84.1112.9163.1-178.20000106I21 Y22 I58 T80I21-V78 HydrophobicContact CG2-CG2 4.24Å; Y22-V78 HydrophobicContact CE2-CG1 3.54Å; I58-V78 HydrophobicContact CD1-CG2 4.37Å; I58-V78 HydrophobicContact CG1-CG2 3.86Å; V78-T80 HydrophobicContact CG1-CG2 4.49Å; V78-T80 PolarHBondContact O-N 2.85Å
79T90.9Very high94.8Very high7 Ų750 Ų504%0.04326%0.261CS..  trans-70.8119.8176.3-60.90000109.1S20 Y22 E149 S152S20-T79 WeakPolarHBondContact CB-OG1 3.47Å; S20-T79 WeakPolarHBondContact OG-CB 3.1Å; S20-T79 PolarHBondContact OG-OG1 2.82Å; Y22-T79 WeakPolarHBondContact CE2-O 3.41Å; T79-E149 HydrophobicContact CG2-CG 4.09Å; T79-S152 WeakPolarHBondContact CB-OG 3.38Å; T79-S152 WeakPolarHBondContact CG2-OG 3.41Å; T79-S152 PolarHBondContact O-OG 2.65Å
80T87.9Confident94.5Very high61 Ų6157.7 Ų57.737%0.37430%0.295SS..  trans-113140.4174.254.70000108.9V78V78-T80 HydrophobicContact CG1-CG2 4.49Å; V78-T80 PolarHBondContact O-N 2.85Å
81L94.3Very high94.2Very high16 Ų1655.7 Ų55.78%0.08429%0.288CS..  trans-105.7124.6175-62.7-177.6000109.7F98 L100 Q153L81-F98 HydrophobicContact CB-CB 4.07Å; L81-F98 HydrophobicContact CB-CD1 4.1Å; L81-F98 HydrophobicContact CB-CD2 4.49Å; L81-F98 HydrophobicContact CB-CG 3.99Å; L81-F98 HydrophobicContact CD1-CB 4.2Å; L81-F98 HydrophobicContact CD1-CD2 3.63Å; L81-F98 HydrophobicContact CD1-CE2 4.1Å; L81-F98 HydrophobicContact CD1-CG 3.94Å; L81-L100 HydrophobicContact CD2-CD2 3.52Å; L81-Q153 HydrophobicContact CD1-CB 4.3Å; L81-Q153 HydrophobicContact CD1-CG 3.76Å
82T94.1Very high94Very high83 Ų8354.6 Ų54.651%0.50928%0.284SS..EExtended strand (participates in β ladder)trans-81.9123.3174.4-57.90000108.7V84 F98 E99T82-V84 PolarHBondContact O-N 3.28Å; T82-F98 CarbonylContact O-C 3.6Å; T82-F98 VanDerWaalsContact O-CA 3.32Å; T82-F98 WeakPolarHBondContact O-CA 3.44Å; T82-E99 PolarHBondContact N-O 2.87Å; T82-E99 PolarHBondContact O-N 2.92Å
83T95.2Very high93.9Very high65 Ų6554.6 Ų54.640%0.39928%0.284SS..EExtended strand (participates in β ladder)trans-77.4105.7173.7-55.60000109.7K86 F96 F98T83-K86 HydrophobicContact CG2-CB 4.12Å; T83-F96 HydrophobicContact CG2-CD1 4.16Å; T83-F98 HydrophobicContact CG2-CE1 4.43Å; T83-F98 WeakPolarHBondContact OG1-CE1 3.36Å
84V94.8Very high93.8Very high55 Ų5552 Ų5233%0.33327%0.274SS..EExtended strand (participates in β ladder)trans-79.8-45.5177-175.60000110.4T82 L97 E99T82-V84 PolarHBondContact O-N 3.28Å; V84-L97 HydrophobicContact CB-CD2 4.29Å; V84-L97 HydrophobicContact CG1-CD2 4.34Å; V84-L97 PolarHBondContact N-O 3.18Å; V84-E99 HydrophobicContact CG2-CB 3.54Å
85V94.3Very high93.8Very high30 Ų3048 Ų4818%0.18225%0.252CS..EExtended strand (participates in β ladder)trans-136.1137.7179.2-177.10000109.1Q87 F96 L97 L354 E358V85-Q87 HydrophobicContact CG1-CG 4.04Å; V85-F96 WeakPolarHBondContact O-CA 3.35Å; V85-L97 HydrophobicContact CB-CB 3.86Å; V85-L97 HydrophobicContact CB-CD2 4.44Å; V85-L97 HydrophobicContact CG2-CB 4.37Å; V85-L97 HydrophobicContact CG2-CD2 4.05Å; V85-L97 PolarHBondContact N-O 3.38Å; V85-L97 PolarHBondContact O-N 2.85Å; V85-L354 HydrophobicContact CG1-CD2 4.36Å; V85-E358 HydrophobicContact CG2-CG 4.3Å
86K94.8Very high93.8Very high114 Ų11445.2 Ų45.250%0.49624%0.237SC..EExtended strand (participates in β ladder)trans-126.2124.1168.7-177.6-172176-168.80108.2T83 I94 K95 F96T83-K86 HydrophobicContact CG2-CB 4.12Å; K86-I94 HydrophobicContact CD-CG2 4.32Å; K86-I94 HydrophobicContact CG-CG2 3.78Å; K86-K95 WeakPolarHBondContact CA-O 3.5Å; K86-F96 HydrophobicContact CB-CD1 4.46Å; K86-F96 HydrophobicContact CD-CE1 4.03Å; K86-F96 HydrophobicContact CG-CD1 4.13Å; K86-F96 HydrophobicContact CG-CE1 3.93Å
87Q94.4Very high93.8Very high44 Ų4444.8 Ų44.821%0.20624%0.235CC..EExtended strand (participates in β ladder)trans-119.6139.7174.4-70.3176.9-26.300109.5V85 I94 K95 I347V85-Q87 HydrophobicContact CG1-CG 4.04Å; Q87-I94 CarbonylContact O-C 3.57Å; Q87-I94 VanDerWaalsContact O-CA 3.29Å; Q87-I94 WeakPolarHBondContact O-CA 3.39Å; Q87-I94 WeakPolarHBondContact O-CG2 3.36Å; Q87-K95 PolarHBondContact N-O 2.48Å; Q87-K95 PolarHBondContact O-N 2.87Å; Q87-I347 HydrophobicContact CB-CB 4.1Å; Q87-I347 HydrophobicContact CB-CD1 4.32Å; Q87-I347 HydrophobicContact CB-CG2 4.21Å; Q87-I347 PolarHBondContact OE1-O 2.87Å
88E94.9Very high94Very high118 Ų11842.9 Ų42.955%0.55122%0.223SC*.EExtended strand (participates in β ladder)trans-124.3123178.6-175.8164.3179.400109.2I94E88-I94 HydrophobicContact CB-CG1 4.22Å; E88-I94 HydrophobicContact CG-CG1 3.88Å
89S93.5Very high94.1Very high7 Ų744.8 Ų44.85%0.04923%0.231CC..  trans-77.4156.5177.1160.20000110.6D91 G92 T93 D346S89-D91 VanDerWaalsContact CB-OD1 3.24Å; S89-D91 WeakPolarHBondContact CB-OD1 3.47Å; S89-D91 PolarHBondContact O-N 3.09Å; S89-D91 VanDerWaalsContact O-N 3.13Å; S89-D91 PolarHBondContact OG-N 2.91Å; S89-D91 VanDerWaalsContact OG-N 3.13Å; S89-D91 PolarHBondContact OG-OD1 2.87Å; S89-G92 PolarHBondContact O-N 2.87Å; S89-T93 WeakPolarHBondContact CB-O 3.48Å; S89-T93 PolarHBondContact N-O 3.36Å; S89-D346 WeakPolarHBondContact CB-OD1 3.29Å; S89-D346 PolarHBondContact OG-OD1 2.82Å
90K92.2Very high94.3Very high200 Ų20044.8 Ų44.887%0.8723%0.231SC*.THydrogen-bonded Turntrans-57-25.7172.2-68172.3-173.8176.20114G92 D346K90-G92 VanDerWaalsContact C-N 3.28Å; K90-D346 WeakPolarHBondContact CG-OD2 3.46Å; K90-D346 PolarHBondContact N-OD2 2.86Å
91D91.1Very high94.5Very high52 Ų5246 Ų4628%0.27823%0.232SC..THydrogen-bonded Turntrans-86.85176.268.911000114S89 T93 Q343 G344S89-D91 VanDerWaalsContact CB-OD1 3.24Å; S89-D91 WeakPolarHBondContact CB-OD1 3.47Å; S89-D91 PolarHBondContact O-N 3.09Å; S89-D91 VanDerWaalsContact O-N 3.13Å; S89-D91 PolarHBondContact OG-N 2.91Å; S89-D91 VanDerWaalsContact OG-N 3.13Å; S89-D91 PolarHBondContact OG-OD1 2.87Å; D91-T93 VanDerWaalsContact C-N 3.3Å; D91-T93 PolarHBondContact O-N 3.31Å; D91-T93 WeakPolarHBondContact OD1-CB 3.3Å; D91-T93 PolarHBondContact OD1-N 3.06Å; D91-T93 PolarHBondContact OD1-OG1 3.32Å; D91-Q343 WeakPolarHBondContact OD2-CA 3.42Å; D91-G344 PolarHBondContact OD2-N 3.41Å
92G92.3Very high94.4Very high11 Ų1148.3 Ų48.311%0.11325%0.245CC..SBendtrans805.3-179.500000114.6S89 K90 I94 R112S89-G92 PolarHBondContact O-N 2.87Å; K90-G92 VanDerWaalsContact C-N 3.28Å; G92-I94 PolarHBondContact O-N 3.22Å; G92-R112 WeakPolarHBondContact O-CD 3.48Å; G92-R112 PolarHBondContact O-NE 2.95Å
93T94.9Very high94.3Very high1 Ų146 Ų461%0.00624%0.237CC..  trans-64128.9167.7-57.20000109.3S89 D91 V109 L110 M111 I347S89-T93 WeakPolarHBondContact CB-O 3.48Å; S89-T93 PolarHBondContact N-O 3.36Å; D91-T93 VanDerWaalsContact C-N 3.3Å; D91-T93 PolarHBondContact O-N 3.31Å; D91-T93 WeakPolarHBondContact OD1-CB 3.3Å; D91-T93 PolarHBondContact OD1-N 3.06Å; D91-T93 PolarHBondContact OD1-OG1 3.32Å; T93-V109 HydrophobicContact CG2-CG1 3.54Å; T93-L110 CarbonylContact C-O 3.47Å; T93-L110 VanDerWaalsContact CA-O 3.29Å; T93-L110 WeakPolarHBondContact CA-O 3.44Å; T93-L110 WeakPolarHBondContact CG2-O 3.31Å; T93-M111 HydrophobicContact CG2-CG 4.19Å; T93-I347 HydrophobicContact CG2-CD1 4.46Å; T93-I347 WeakPolarHBondContact O-CD1 3.3Å
94I95.5Very high94.3Very high12 Ų1246.9 Ų46.96%0.06223%0.234CC..EExtended strand (participates in β ladder)trans-115.3124.8179-58170.3000109K86 Q87 E88 G92 F96 V109 L110K86-I94 HydrophobicContact CD-CG2 4.32Å; K86-I94 HydrophobicContact CG-CG2 3.78Å; Q87-I94 CarbonylContact O-C 3.57Å; Q87-I94 VanDerWaalsContact O-CA 3.29Å; Q87-I94 WeakPolarHBondContact O-CA 3.39Å; Q87-I94 WeakPolarHBondContact O-CG2 3.36Å; E88-I94 HydrophobicContact CB-CG1 4.22Å; E88-I94 HydrophobicContact CG-CG1 3.88Å; G92-I94 PolarHBondContact O-N 3.22Å; I94-F96 HydrophobicContact CB-CE2 3.93Å; I94-F96 HydrophobicContact CB-CZ 4.18Å; I94-F96 HydrophobicContact CG2-CD2 4.04Å; I94-F96 HydrophobicContact CG2-CE1 3.94Å; I94-F96 HydrophobicContact CG2-CE2 3.4Å; I94-F96 HydrophobicContact CG2-CZ 3.35Å; I94-V109 CarbonylContact O-C 3.2Å; I94-V109 WeakPolarHBondContact O-CA 3.32Å; I94-L110 HydrophobicContact CB-CB 4.27Å; I94-L110 HydrophobicContact CB-CD2 4.42Å; I94-L110 HydrophobicContact CD1-CD2 4.05Å; I94-L110 PolarHBondContact N-O 3.45Å; I94-L110 PolarHBondContact O-N 3.32Å
95K95.1Very high94.3Very high0 Ų044.3 Ų44.30%022%0.218CC..EExtended strand (participates in β ladder)trans-104.8131.5174-173.3168.3-164.71790110.1K86 Q87 E107 V109 I347 D348 A350 L354K86-K95 WeakPolarHBondContact CA-O 3.5Å; Q87-K95 PolarHBondContact N-O 2.48Å; Q87-K95 PolarHBondContact O-N 2.87Å; K95-E107 WeakPolarHBondContact CE-OE2 3.49Å; K95-E107 VanDerWaalsContact NZ-CD 3.32Å; K95-E107 IonicContact NZ-OE1 2.86Å; K95-E107 PolarHBondContact NZ-OE1 3.18Å; K95-E107 IonicContact NZ-OE2 2.77Å; K95-E107 PolarHBondContact NZ-OE2 3.25Å; K95-V109 HydrophobicContact CD-CG2 4.49Å; K95-V109 HydrophobicContact CG-CG2 4.16Å; K95-I347 HydrophobicContact CB-CD1 3.91Å; K95-D348 PolarHBondContact NZ-O 3.02Å; K95-A350 PolarHBondContact NZ-O 2.82Å; K95-L354 HydrophobicContact CD-CB 3.9Å; K95-L354 HydrophobicContact CD-CD2 3.83Å; K95-L354 HydrophobicContact CD-CG 4.49Å; K95-L354 VanDerWaalsContact CE-CB 3.48Å; K95-L354 HydrophobicContact CG-CD2 3.77Å
96F96.2Very high94.4Very high6 Ų642.9 Ų42.93%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-114.5132.5177.5-57.6-93.8000109.6T83 V85 K86 I94 F98 E107 T108 L110 V157 A160T83-F96 HydrophobicContact CG2-CD1 4.16Å; V85-F96 WeakPolarHBondContact O-CA 3.35Å; K86-F96 HydrophobicContact CB-CD1 4.46Å; K86-F96 HydrophobicContact CD-CE1 4.03Å; K86-F96 HydrophobicContact CG-CD1 4.13Å; K86-F96 HydrophobicContact CG-CE1 3.93Å; I94-F96 HydrophobicContact CB-CE2 3.93Å; I94-F96 HydrophobicContact CB-CZ 4.18Å; I94-F96 HydrophobicContact CG2-CD2 4.04Å; I94-F96 HydrophobicContact CG2-CE1 3.94Å; I94-F96 HydrophobicContact CG2-CE2 3.4Å; I94-F96 HydrophobicContact CG2-CZ 3.35Å; F96-F98 HydrophobicContact CB-CD1 4.1Å; F96-F98 HydrophobicContact CB-CD2 4.28Å; F96-F98 HydrophobicContact CB-CE1 3.54Å; F96-F98 HydrophobicContact CB-CE2 3.79Å; F96-F98 HydrophobicContact CB-CG 4.43Å; F96-F98 HydrophobicContact CB-CZ 3.38Å; F96-F98 AromaticContact CD1-CE1 3.83Å; F96-F98 HydrophobicContact CD1-CE1 3.83Å; F96-F98 AromaticContact CD1-CZ 3.86Å; F96-F98 HydrophobicContact CD1-CZ 3.86Å; F96-F98 HydrophobicContact CD2-CZ 4.26Å; F96-F98 AromaticContact CG-CE1 3.9Å; F96-F98 HydrophobicContact CG-CE1 3.9Å; F96-F98 HydrophobicContact CG-CE2 4.33Å; F96-F98 AromaticContact CG-CZ 3.59Å; F96-F98 HydrophobicContact CG-CZ 3.59Å; F96-E107 WeakPolarHBondContact O-CA 3.31Å; F96-T108 PolarHBondContact N-O 3.45Å; F96-T108 PolarHBondContact O-N 3.01Å; F96-L110 HydrophobicContact CE2-CB 4.23Å; F96-V157 HydrophobicContact CD2-CG2 4.02Å; F96-V157 HydrophobicContact CE2-CG2 3.83Å; F96-V157 HydrophobicContact CZ-CG2 4.45Å; F96-A160 HydrophobicContact CZ-CB 4.42Å
97L96.2Very high94.4Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-99.8110.4160.7-171.171.8000107.4V84 V85 T105 I106 E107 L354 R355 E358V84-L97 HydrophobicContact CB-CD2 4.29Å; V84-L97 HydrophobicContact CG1-CD2 4.34Å; V84-L97 PolarHBondContact N-O 3.18Å; V85-L97 HydrophobicContact CB-CB 3.86Å; V85-L97 HydrophobicContact CB-CD2 4.44Å; V85-L97 HydrophobicContact CG2-CB 4.37Å; V85-L97 HydrophobicContact CG2-CD2 4.05Å; V85-L97 PolarHBondContact N-O 3.38Å; V85-L97 PolarHBondContact O-N 2.85Å; L97-T105 HydrophobicContact CD2-CG2 4.46Å; L97-T105 HydrophobicContact CG-CG2 4.35Å; L97-I106 WeakPolarHBondContact CA-O 3.44Å; L97-E107 HydrophobicContact CD1-CG 4.16Å; L97-L354 HydrophobicContact CB-CD2 3.95Å; L97-L354 HydrophobicContact CB-CG 4.44Å; L97-R355 HydrophobicContact CD1-CB 3.99Å; L97-E358 HydrophobicContact CD2-CB 3.82Å; L97-E358 HydrophobicContact CD2-CG 4.2Å
98F97.1Very high94.5Very high0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-99.6139.9178-64.3-46000110.6L81 T82 T83 F96 T105 I106 T108 Q153 T156 V157L81-F98 HydrophobicContact CB-CB 4.07Å; L81-F98 HydrophobicContact CB-CD1 4.1Å; L81-F98 HydrophobicContact CB-CD2 4.49Å; L81-F98 HydrophobicContact CB-CG 3.99Å; L81-F98 HydrophobicContact CD1-CB 4.2Å; L81-F98 HydrophobicContact CD1-CD2 3.63Å; L81-F98 HydrophobicContact CD1-CE2 4.1Å; L81-F98 HydrophobicContact CD1-CG 3.94Å; T82-F98 CarbonylContact O-C 3.6Å; T82-F98 VanDerWaalsContact O-CA 3.32Å; T82-F98 WeakPolarHBondContact O-CA 3.44Å; T83-F98 HydrophobicContact CG2-CE1 4.43Å; T83-F98 WeakPolarHBondContact OG1-CE1 3.36Å; F96-F98 HydrophobicContact CB-CD1 4.1Å; F96-F98 HydrophobicContact CB-CD2 4.28Å; F96-F98 HydrophobicContact CB-CE1 3.54Å; F96-F98 HydrophobicContact CB-CE2 3.79Å; F96-F98 HydrophobicContact CB-CG 4.43Å; F96-F98 HydrophobicContact CB-CZ 3.38Å; F96-F98 AromaticContact CD1-CE1 3.83Å; F96-F98 HydrophobicContact CD1-CE1 3.83Å; F96-F98 AromaticContact CD1-CZ 3.86Å; F96-F98 HydrophobicContact CD1-CZ 3.86Å; F96-F98 HydrophobicContact CD2-CZ 4.26Å; F96-F98 AromaticContact CG-CE1 3.9Å; F96-F98 HydrophobicContact CG-CE1 3.9Å; F96-F98 HydrophobicContact CG-CE2 4.33Å; F96-F98 AromaticContact CG-CZ 3.59Å; F96-F98 HydrophobicContact CG-CZ 3.59Å; F98-T105 CarbonylContact O-C 3.33Å; F98-T105 WeakPolarHBondContact O-CA 3.31Å; F98-I106 HydrophobicContact CB-CG1 4.07Å; F98-I106 PolarHBondContact N-O 2.98Å; F98-I106 PolarHBondContact O-N 3.36Å; F98-T108 WeakPolarHBondContact CD2-OG1 3.38Å; F98-T108 VanDerWaalsContact CE2-CB 3.48Å; F98-T108 HydrophobicContact CE2-CG2 4.13Å; F98-T108 VanDerWaalsContact CE2-OG1 3.3Å; F98-T108 WeakPolarHBondContact CE2-OG1 3.27Å; F98-Q153 HydrophobicContact CD2-CG 4.36Å; F98-T156 HydrophobicContact CE1-CG2 3.6Å; F98-T156 HydrophobicContact CZ-CG2 3.63Å; F98-V157 HydrophobicContact CZ-CG2 4.44Å
99E96.1Very high94.6Very high58 Ų5830.7 Ų30.727%0.27116%0.155SC..EExtended strand (participates in β ladder)trans-97.9130.8168.2-171.9171.296.600109.8T82 V84 Y104 T105 R359T82-E99 PolarHBondContact N-O 2.87Å; T82-E99 PolarHBondContact O-N 2.92Å; V84-E99 HydrophobicContact CG2-CB 3.54Å; E99-Y104 WeakPolarHBondContact CA-O 3.33Å; E99-T105 HydrophobicContact CB-CG2 4.4Å; E99-R359 IonicContact OE2-NH2 2.77Å; E99-R359 PolarHBondContact OE2-NH2 3.2Å
100L95.2Very high94.8Very high7 Ų730.4 Ų30.44%0.03715%0.153CC..PPolyproline II helixtrans-86.8169.1178.9-63166.7000110.4L81 D102 G103 Y104 I106 V125 L145 E149L81-L100 HydrophobicContact CD2-CD2 3.52Å; L100-D102 WeakPolarHBondContact CB-OD1 3.41Å; L100-D102 PolarHBondContact O-N 3.36Å; L100-D102 VanDerWaalsContact O-N 3.09Å; L100-G103 PolarHBondContact O-N 3.46Å; L100-Y104 WeakPolarHBondContact CB-O 3.38Å; L100-Y104 PolarHBondContact N-O 3.35Å; L100-I106 HydrophobicContact CD1-CD1 4.35Å; L100-I106 HydrophobicContact CD1-CG1 4.27Å; L100-I106 HydrophobicContact CD1-CG2 3.71Å; L100-I106 HydrophobicContact CD2-CD1 3.85Å; L100-I106 HydrophobicContact CD2-CG1 4.23Å; L100-I106 HydrophobicContact CG-CD1 4.33Å; L100-I106 HydrophobicContact CG-CG1 4.22Å; L100-V125 HydrophobicContact CD1-CG2 3.61Å; L100-L145 HydrophobicContact CD1-CD2 3.6Å; L100-E149 HydrophobicContact CD2-CB 4.41Å; L100-E149 HydrophobicContact CD2-CG 4.34Å
101Q91.4Very high94.9Very high88 Ų8822.6 Ų22.641%0.41112%0.121SC..THydrogen-bonded Turntrans-59.8-24.6-175.9-68.1-178.4-19.100114.1F16F16-Q101 HydrophobicContact CE1-CB 4.21Å; F16-Q101 HydrophobicContact CZ-CB 4.23Å
102D92.1Very high95Very high63 Ų6323.5 Ų23.534%0.33712%0.12SC..THydrogen-bonded Turntrans-9610.4176.858.6-7.9000113.8F16 L100 Y104 R143F16-D102 HydrophobicContact CE1-CB 4.21Å; L100-D102 WeakPolarHBondContact CB-OD1 3.41Å; L100-D102 PolarHBondContact O-N 3.36Å; L100-D102 VanDerWaalsContact O-N 3.09Å; D102-Y104 VanDerWaalsContact C-N 3.27Å; D102-Y104 PolarHBondContact O-N 3.17Å; D102-Y104 VanDerWaalsContact OD2-CD2 3.29Å; D102-Y104 WeakPolarHBondContact OD2-CD2 3.44Å; D102-R143 VanDerWaalsContact CG-NH2 3.34Å; D102-R143 IonicContact OD1-CZ 2.98Å; D102-R143 IonicContact OD1-NE 3.57Å; D102-R143 IonicContact OD1-NH2 2.93Å; D102-R143 PolarHBondContact OD1-NH2 3.17Å; D102-R143 WeakPolarHBondContact OD2-CD 3.47Å; D102-R143 IonicContact OD2-CZ 3.38Å; D102-R143 VanDerWaalsContact OD2-CZ 3.32Å; D102-R143 IonicContact OD2-NE 2.93Å; D102-R143 PolarHBondContact OD2-NE 3.01Å; D102-R143 IonicContact OD2-NH2 3.37Å; D102-R143 PolarHBondContact OD2-NH2 3.43Å
103G92.7Very high95Very high35 Ų3525.1 Ų25.136%0.36113%0.125SC..SBendtrans82-5.3176.100000114.9L100L100-G103 PolarHBondContact O-N 3.46Å
104Y94.7Very high94.8Very high84 Ų8432.9 Ų32.933%0.32917%0.166SC..  trans-68.3153.5170.4-74.9-61.1000111.2E99 L100 D102 V125 K142 E362E99-Y104 WeakPolarHBondContact CA-O 3.33Å; L100-Y104 WeakPolarHBondContact CB-O 3.38Å; L100-Y104 PolarHBondContact N-O 3.35Å; D102-Y104 VanDerWaalsContact C-N 3.27Å; D102-Y104 PolarHBondContact O-N 3.17Å; D102-Y104 VanDerWaalsContact OD2-CD2 3.29Å; D102-Y104 WeakPolarHBondContact OD2-CD2 3.44Å; Y104-V125 HydrophobicContact CD1-CG1 3.87Å; Y104-V125 HydrophobicContact CD2-CG1 4.39Å; Y104-V125 HydrophobicContact CG-CG1 3.76Å; Y104-K142 HydrophobicContact CE1-CB 4.18Å; Y104-K142 HydrophobicContact CE1-CG 4.01Å; Y104-K142 HydrophobicContact CE2-CB 4.47Å; Y104-E362 HydrophobicContact CD1-CG 4.43Å
105T95Very high94.6Very high0 Ų039.3 Ų39.30%019%0.19CC..EExtended strand (participates in β ladder)trans-109.6147.3177.4560000113.3L97 F98 E99 R355 R359 E362L97-T105 HydrophobicContact CD2-CG2 4.46Å; L97-T105 HydrophobicContact CG-CG2 4.35Å; F98-T105 CarbonylContact O-C 3.33Å; F98-T105 WeakPolarHBondContact O-CA 3.31Å; E99-T105 HydrophobicContact CB-CG2 4.4Å; T105-R355 VanDerWaalsContact O-CD 3.25Å; T105-R355 WeakPolarHBondContact O-CD 3.23Å; T105-R355 PolarHBondContact O-NE 3.23Å; T105-R355 VanDerWaalsContact O-NE 3.08Å; T105-R359 HydrophobicContact CG2-CG 3.87Å; T105-R359 WeakPolarHBondContact OG1-CG 3.46Å; T105-E362 PolarHBondContact N-OE1 2.78Å; T105-E362 PolarHBondContact N-OE2 3.47Å; T105-E362 PolarHBondContact OG1-OE1 3.12Å; T105-E362 PolarHBondContact OG1-OE2 2.97Å
106I96Very high94.5Very high0 Ų040.2 Ų40.20%020%0.2CC..EExtended strand (participates in β ladder)trans-134.4163.3173.557.5167.6000110.8L97 F98 L100 T122 V125 L145 Q153L97-I106 WeakPolarHBondContact CA-O 3.44Å; F98-I106 HydrophobicContact CB-CG1 4.07Å; F98-I106 PolarHBondContact N-O 2.98Å; F98-I106 PolarHBondContact O-N 3.36Å; L100-I106 HydrophobicContact CD1-CD1 4.35Å; L100-I106 HydrophobicContact CD1-CG1 4.27Å; L100-I106 HydrophobicContact CD1-CG2 3.71Å; L100-I106 HydrophobicContact CD2-CD1 3.85Å; L100-I106 HydrophobicContact CD2-CG1 4.23Å; L100-I106 HydrophobicContact CG-CD1 4.33Å; L100-I106 HydrophobicContact CG-CG1 4.22Å; I106-T122 HydrophobicContact CB-CG2 3.94Å; I106-T122 HydrophobicContact CG2-CG2 3.78Å; I106-V125 HydrophobicContact CG2-CG2 3.96Å; I106-L145 HydrophobicContact CD1-CD1 3.89Å; I106-L145 HydrophobicContact CG2-CD2 4.47Å; I106-Q153 HydrophobicContact CD1-CG 3.83Å
107E95.4Very high94.6Very high6 Ų640.5 Ų40.53%0.02820%0.202CC..EExtended strand (participates in β ladder)trans-111.2142.1178.4-63.8177.6-177.500111.3K95 F96 L97 T122 I176 G352 Q353 L354 R355K95-E107 WeakPolarHBondContact CE-OE2 3.49Å; K95-E107 VanDerWaalsContact NZ-CD 3.32Å; K95-E107 IonicContact NZ-OE1 2.86Å; K95-E107 PolarHBondContact NZ-OE1 3.18Å; K95-E107 IonicContact NZ-OE2 2.77Å; K95-E107 PolarHBondContact NZ-OE2 3.25Å; F96-E107 WeakPolarHBondContact O-CA 3.31Å; L97-E107 HydrophobicContact CD1-CG 4.16Å; E107-T122 PolarHBondContact O-OG1 3.41Å; E107-I176 HydrophobicContact CB-CD1 4.06Å; E107-I176 HydrophobicContact CG-CD1 3.98Å; E107-G352 VanDerWaalsContact OE1-CA 3.26Å; E107-G352 WeakPolarHBondContact OE1-CA 3.44Å; E107-G352 WeakPolarHBondContact OE2-CA 3.43Å; E107-G352 PolarHBondContact OE2-N 3.15Å; E107-Q353 PolarHBondContact OE1-N 2.96Å; E107-L354 WeakPolarHBondContact OE1-CA 3.43Å; E107-L354 WeakPolarHBondContact OE1-CB 3.09Å; E107-L354 PolarHBondContact OE1-N 3.45Å; E107-R355 HydrophobicContact CG-CB 4.17Å; E107-R355 WeakPolarHBondContact OE1-CB 3.33Å; E107-R355 PolarHBondContact OE1-N 2.9Å
108T97.4Very high94.7Very high0 Ų040.6 Ų40.60%020%0.202CC..EExtended strand (participates in β ladder)trans-134139.1168.9-56.80000108.4F96 F98 V119 C120 Q153 V157F96-T108 PolarHBondContact N-O 3.45Å; F96-T108 PolarHBondContact O-N 3.01Å; F98-T108 WeakPolarHBondContact CD2-OG1 3.38Å; F98-T108 VanDerWaalsContact CE2-CB 3.48Å; F98-T108 HydrophobicContact CE2-CG2 4.13Å; F98-T108 VanDerWaalsContact CE2-OG1 3.3Å; F98-T108 WeakPolarHBondContact CE2-OG1 3.27Å; T108-V119 HydrophobicContact CG2-CG1 3.55Å; T108-C120 WeakPolarHBondContact CA-O 3.34Å; T108-C120 WeakPolarHBondContact CG2-O 3.46Å; T108-Q153 HydrophobicContact CG2-CB 4.11Å; T108-Q153 WeakPolarHBondContact OG1-CB 3.15Å; T108-Q153 VanDerWaalsContact OG1-CG 3.3Å; T108-Q153 WeakPolarHBondContact OG1-CG 3.47Å; T108-Q153 PolarHBondContact OG1-OE1 3.36Å; T108-V157 HydrophobicContact CG2-CG2 3.73Å
109V96.5Very high94.7Very high14 Ų1440.6 Ų40.69%0.08520%0.202CC..EExtended strand (participates in β ladder)trans-123.5125.6-179.1-171.50000109.8T93 I94 K95 M111 V119 C120T93-V109 HydrophobicContact CG2-CG1 3.54Å; I94-V109 CarbonylContact O-C 3.2Å; I94-V109 WeakPolarHBondContact O-CA 3.32Å; K95-V109 HydrophobicContact CD-CG2 4.49Å; K95-V109 HydrophobicContact CG-CG2 4.16Å; V109-M111 HydrophobicContact CG1-CG 4.02Å; V109-V119 CarbonylContact O-C 3.57Å; V109-V119 WeakPolarHBondContact O-CA 3.48Å; V109-C120 HydrophobicContact CB-CB 4.09Å; V109-C120 PolarHBondContact N-O 2.9Å; V109-C120 PolarHBondContact O-N 3.19Å
110L97.1Very high94.8Very high1 Ų138.6 Ų38.61%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-92.1120.3166.7168.562.4000108.6T93 I94 F96 N117 S118 V119 V157 L161T93-L110 CarbonylContact C-O 3.47Å; T93-L110 VanDerWaalsContact CA-O 3.29Å; T93-L110 WeakPolarHBondContact CA-O 3.44Å; T93-L110 WeakPolarHBondContact CG2-O 3.31Å; I94-L110 HydrophobicContact CB-CB 4.27Å; I94-L110 HydrophobicContact CB-CD2 4.42Å; I94-L110 HydrophobicContact CD1-CD2 4.05Å; I94-L110 PolarHBondContact N-O 3.45Å; I94-L110 PolarHBondContact O-N 3.32Å; F96-L110 HydrophobicContact CE2-CB 4.23Å; L110-N117 HydrophobicContact CD1-CB 3.83Å; L110-S118 WeakPolarHBondContact CA-O 3.42Å; L110-V119 HydrophobicContact CD1-CG2 4.28Å; L110-V157 HydrophobicContact CB-CG1 3.97Å; L110-V157 HydrophobicContact CD1-CG1 4.11Å; L110-V157 HydrophobicContact CD2-CG1 4.09Å; L110-V157 HydrophobicContact CG-CG1 4.28Å; L110-L161 HydrophobicContact CD1-CD1 4.14Å; L110-L161 HydrophobicContact CD2-CD1 4.41Å; L110-L161 HydrophobicContact CD2-CD2 3.71Å; L110-L161 HydrophobicContact CD2-CG 4.15Å
111M95.6Very high94.9Very high37 Ų3738.3 Ų38.318%0.18219%0.193CC..EExtended strand (participates in β ladder)trans-111.6133.3175.7-64.7169.1-68.700109.8T93 V109 S118 C120 V172T93-M111 HydrophobicContact CG2-CG 4.19Å; V109-M111 HydrophobicContact CG1-CG 4.02Å; M111-S118 PolarHBondContact N-O 2.83Å; M111-S118 PolarHBondContact O-N 2.98Å; M111-C120 HydrophobicContact CE-CB 4.05Å; M111-V172 HydrophobicContact CE-CG2 3.89Å
112R93.5Very high95.3Very high71 Ų7134.1 Ų34.127%0.26817%0.174SC..EExtended strand (participates in β ladder)trans-95.4123.8178.3-63.5-173.8170.8-86.37.6109.9G92 N117 E166 Q343G92-R112 WeakPolarHBondContact O-CD 3.48Å; G92-R112 PolarHBondContact O-NE 2.95Å; R112-N117 PolarHBondContact NH1-OD1 2.93Å; R112-E166 IonicContact CZ-OE1 3.86Å; R112-E166 IonicContact CZ-OE2 2.77Å; R112-E166 IonicContact NH1-OE1 3.78Å; R112-E166 PolarHBondContact NH1-OE1 3.48Å; R112-E166 IonicContact NH1-OE2 3.75Å; R112-E166 PolarHBondContact NH1-OE2 2.88Å; R112-E166 IonicContact NH2-OE2 4Å; R112-E166 PolarHBondContact NH2-OE2 2.89Å; R112-Q343 PolarHBondContact O-NE2 3.12Å
113H92.2Very high95.6Very high45 Ų4531.2 Ų31.221%0.20816%0.158CC..EExtended strand (participates in β ladder)trans-124.9158.3173.7-52.5-83.6000110.3Y115 G116 Q343H113-Y115 HydrophobicContact CB-CD1 3.85Å; H113-Y115 HydrophobicContact CB-CD2 4.1Å; H113-Y115 HydrophobicContact CB-CE1 3.55Å; H113-Y115 HydrophobicContact CB-CE2 3.8Å; H113-Y115 HydrophobicContact CB-CG 4.12Å; H113-Y115 AromaticContact CD2-CE2 3.91Å; H113-Y115 AromaticContact CD2-CZ 3.73Å; H113-Y115 PolarHBondContact CD2-OH 2.88Å; H113-Y115 AromaticContact CG-CE1 3.87Å; H113-Y115 AromaticContact CG-CE2 3.94Å; H113-Y115 AromaticContact CG-CZ 3.47Å; H113-Y115 VanDerWaalsContact CG-CZ 3.47Å; H113-Y115 AromaticContact ND1-CZ 3.94Å; H113-Y115 PolarHBondContact ND1-OH 3.18Å; H113-Y115 PolarHBondContact O-N 2.93Å; H113-Y115 VanDerWaalsContact O-N 3.12Å; H113-G116 WeakPolarHBondContact CB-O 3.33Å; H113-G116 PolarHBondContact N-O 3.34Å; H113-G116 PolarHBondContact O-N 3.18Å; H113-Q343 PolarHBondContact CE1-OE1 3.06Å
114D89.6Confident95.8Very high163 Ų16329.6 Ų29.687%0.87214%0.141SC*.THydrogen-bonded Turntrans-60.1-25.2178.1-54.1-25.1000112.5
115Y91Very high95.8Very high147 Ų14725.6 Ų25.658%0.57613%0.126SC*.THydrogen-bonded Turntrans-93.4-0.4177.358.6-102.9000114.2H113 Q170H113-Y115 HydrophobicContact CB-CD1 3.85Å; H113-Y115 HydrophobicContact CB-CD2 4.1Å; H113-Y115 HydrophobicContact CB-CE1 3.55Å; H113-Y115 HydrophobicContact CB-CE2 3.8Å; H113-Y115 HydrophobicContact CB-CG 4.12Å; H113-Y115 AromaticContact CD2-CE2 3.91Å; H113-Y115 AromaticContact CD2-CZ 3.73Å; H113-Y115 PolarHBondContact CD2-OH 2.88Å; H113-Y115 AromaticContact CG-CE1 3.87Å; H113-Y115 AromaticContact CG-CE2 3.94Å; H113-Y115 AromaticContact CG-CZ 3.47Å; H113-Y115 VanDerWaalsContact CG-CZ 3.47Å; H113-Y115 AromaticContact ND1-CZ 3.94Å; H113-Y115 PolarHBondContact ND1-OH 3.18Å; H113-Y115 PolarHBondContact O-N 2.93Å; H113-Y115 VanDerWaalsContact O-N 3.12Å; Y115-Q170 HydrophobicContact CE2-CG 4.28Å
116G94.5Very high95.8Very high20 Ų2025.6 Ų25.621%0.20613%0.126CC..EExtended strand (participates in β ladder)trans133.3174.5177.200000115H113 S169H113-G116 WeakPolarHBondContact CB-O 3.33Å; H113-G116 PolarHBondContact N-O 3.34Å; H113-G116 PolarHBondContact O-N 3.18Å; G116-S169 WeakPolarHBondContact CA-OG 3.29Å
117N97.6Very high95.8Very high11 Ų1126 Ų266%0.05913%0.129CC..EExtended strand (participates in β ladder)trans-83.1130.6-177.8-65.4-41.9000111.2L110 R112 L161 E166 R167 S169 Q170L110-N117 HydrophobicContact CD1-CB 3.83Å; R112-N117 PolarHBondContact NH1-OD1 2.93Å; N117-L161 HydrophobicContact CB-CD1 4.19Å; N117-E166 PolarHBondContact ND2-OE1 2.9Å; N117-R167 WeakPolarHBondContact CB-O 3.3Å; N117-S169 PolarHBondContact N-OG 3.46Å; N117-S169 PolarHBondContact O-N 3.48Å; N117-S169 PolarHBondContact O-OG 3.21Å; N117-Q170 PolarHBondContact O-N 2.99Å
118S97.4Very high95.8Very high2 Ų232.8 Ų32.81%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-113.5136178.3-176.10000110.7L110 M111 Q170L110-S118 WeakPolarHBondContact CA-O 3.42Å; M111-S118 PolarHBondContact N-O 2.83Å; M111-S118 PolarHBondContact O-N 2.98Å; S118-Q170 CarbonylContact C-O 3.58Å; S118-Q170 WeakPolarHBondContact CA-O 3.47Å
119V98.2Very high95.7Very high0 Ų033.4 Ų33.40%016%0.157CC..EExtended strand (participates in β ladder)trans-111.8121.3176-179.50000110.2T108 V109 L110 V121 V157 V168 Q170 I171 V172T108-V119 HydrophobicContact CG2-CG1 3.55Å; V109-V119 CarbonylContact O-C 3.57Å; V109-V119 WeakPolarHBondContact O-CA 3.48Å; L110-V119 HydrophobicContact CD1-CG2 4.28Å; V119-V121 HydrophobicContact CG1-CG1 3.89Å; V119-V157 HydrophobicContact CG1-CG2 4.31Å; V119-V157 HydrophobicContact CG2-CB 4.17Å; V119-V157 HydrophobicContact CG2-CG1 3.63Å; V119-V168 HydrophobicContact CB-CG1 4.16Å; V119-V168 HydrophobicContact CG2-CB 4.23Å; V119-V168 HydrophobicContact CG2-CG1 3.59Å; V119-V168 HydrophobicContact CG2-CG2 3.6Å; V119-Q170 PolarHBondContact N-O 3.37Å; V119-I171 WeakPolarHBondContact O-CA 3.43Å; V119-V172 PolarHBondContact O-N 2.97Å
120C97.6Very high95.5Very high17 Ų1734.1 Ų34.112%0.11517%0.167CC..EExtended strand (participates in β ladder)trans-86.1114.2170.1-172.10000109.7T108 V109 M111 V172 G175T108-C120 WeakPolarHBondContact CA-O 3.34Å; T108-C120 WeakPolarHBondContact CG2-O 3.46Å; V109-C120 HydrophobicContact CB-CB 4.09Å; V109-C120 PolarHBondContact N-O 2.9Å; V109-C120 PolarHBondContact O-N 3.19Å; M111-C120 HydrophobicContact CE-CB 4.05Å; C120-V172 VanDerWaalsContact CA-O 3.3Å; C120-V172 WeakPolarHBondContact CA-O 3.37Å; C120-V172 HydrophobicContact CB-CG2 3.71Å; C120-G175 PolarHBondContact SG-N 3.42Å; C120-G175 VanDerWaalsContact SG-N 3.37Å
121V98.5Very high95.4Very high0 Ų034.7 Ų34.70%017%0.171CC..  trans-104.8149-178.6-61.10000112.2V119 I150 Q153 V154 I171 V172 I173 G175 F189V119-V121 HydrophobicContact CG1-CG1 3.89Å; V121-I150 HydrophobicContact CB-CG2 4.08Å; V121-I150 HydrophobicContact CG2-CG2 3.94Å; V121-Q153 HydrophobicContact CG1-CB 4.17Å; V121-V154 HydrophobicContact CG1-CG2 3.65Å; V121-I171 HydrophobicContact CG1-CG2 4.48Å; V121-I171 HydrophobicContact CG2-CG2 4.04Å; V121-V172 PolarHBondContact N-O 2.89Å; V121-I173 HydrophobicContact CG2-CB 4.34Å; V121-I173 HydrophobicContact CG2-CG1 4Å; V121-I173 HydrophobicContact CG2-CG2 4.23Å; V121-G175 VanDerWaalsContact O-CA 3.29Å; V121-G175 WeakPolarHBondContact O-CA 3.37Å; V121-G175 PolarHBondContact O-N 2.92Å; V121-F189 HydrophobicContact CG1-CZ 4.46Å; V121-F189 HydrophobicContact CG2-CE1 4.11Å; V121-F189 HydrophobicContact CG2-CZ 4Å
122T98Very high95.2Very high0 Ų034.6 Ų34.60%017%0.173CC..  trans-93.8144.9175.3-75.80000110.4I106 E107 Q124 L145 Q153 I176I106-T122 HydrophobicContact CB-CG2 3.94Å; I106-T122 HydrophobicContact CG2-CG2 3.78Å; E107-T122 PolarHBondContact O-OG1 3.41Å; T122-Q124 WeakPolarHBondContact CG2-O 3.33Å; T122-L145 HydrophobicContact CG2-CD1 4.04Å; T122-L145 WeakPolarHBondContact O-CD1 3.47Å; T122-Q153 PolarHBondContact O-NE2 2.89Å; T122-I176 HydrophobicContact CG2-CB 3.61Å; T122-I176 HydrophobicContact CG2-CG1 4.48Å; T122-I176 HydrophobicContact CG2-CG2 4.39Å; T122-I176 WeakPolarHBondContact CG2-O 3.11Å; T122-I176 PolarHBondContact OG1-N 3.38Å
123T98.1Very high95.1Very high3 Ų332.9 Ų32.92%0.01817%0.167CC..  trans-113.2-14.7177.957.80000113.8L145 I150 I173 I176 P179 N182T123-L145 WeakPolarHBondContact O-CB 3.18Å; T123-L145 PolarHBondContact O-N 3.41Å; T123-L145 VanDerWaalsContact O-N 3.1Å; T123-I150 HydrophobicContact CG2-CD1 4.23Å; T123-I173 HydrophobicContact CG2-CG2 3.32Å; T123-I176 PolarHBondContact N-O 2.82Å; T123-P179 HydrophobicContact CG2-CB 4.13Å; T123-P179 HydrophobicContact CG2-CG 4.16Å; T123-N182 PolarHBondContact O-ND2 3Å
124Q97.7Very high94.9Very high1 Ų132 Ų321%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-143.7155.5-177.5-55.6-178.3-57.100111.6T122 G126 L141 N144 I176 N182T122-Q124 WeakPolarHBondContact CG2-O 3.33Å; Q124-G126 VanDerWaalsContact CB-O 3.31Å; Q124-G126 WeakPolarHBondContact CB-O 3.16Å; Q124-G126 PolarHBondContact O-N 3.25Å; Q124-L141 HydrophobicContact CB-CD1 3.77Å; Q124-L141 HydrophobicContact CG-CD1 4.16Å; Q124-N144 VanDerWaalsContact CG-OD1 3.31Å; Q124-N144 WeakPolarHBondContact CG-OD1 3.38Å; Q124-N144 PolarHBondContact NE2-OD1 3.35Å; Q124-I176 PolarHBondContact N-O 2.82Å; Q124-I176 VanDerWaalsContact O-CG2 3.26Å; Q124-I176 WeakPolarHBondContact O-CG2 3.24Å; Q124-N182 HydrophobicContact CG-CB 4.32Å
125V95.9Very high94.9Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-86.7104.9165-177.80000108.2L100 Y104 I106 K142 R143 L145L100-V125 HydrophobicContact CD1-CG2 3.61Å; Y104-V125 HydrophobicContact CD1-CG1 3.87Å; Y104-V125 HydrophobicContact CD2-CG1 4.39Å; Y104-V125 HydrophobicContact CG-CG1 3.76Å; I106-V125 HydrophobicContact CG2-CG2 3.96Å; V125-K142 HydrophobicContact CB-CB 4.2Å; V125-K142 HydrophobicContact CG1-CB 3.91Å; V125-K142 HydrophobicContact CG1-CG 4.02Å; V125-K142 PolarHBondContact O-N 3.42Å; V125-R143 HydrophobicContact CB-CG 4.07Å; V125-R143 HydrophobicContact CG2-CG 3.9Å; V125-R143 PolarHBondContact N-O 3.04Å; V125-R143 PolarHBondContact O-N 3.35Å; V125-L145 HydrophobicContact CG2-CD2 3.81Å
126G94.5Very high94.7Very high0 Ų017.5 Ų17.50%010%0.099CC..SBendtrans72.3176.3-170.800000112.8Q124 G140Q124-G126 VanDerWaalsContact CB-O 3.31Å; Q124-G126 WeakPolarHBondContact CB-O 3.16Å; Q124-G126 PolarHBondContact O-N 3.25Å; G126-G140 WeakPolarHBondContact CA-O 3.46Å
127C95.4Very high94.4Very high9 Ų917.5 Ų17.56%0.06110%0.095CC..  trans-145.4138.2-175.6-179.50000111.2S136 T137C127-S136 PolarHBondContact N-O 3.01Å; C127-T137 HydrophobicContact CB-CG2 4.19Å; C127-T137 WeakPolarHBondContact O-CA 3.33Å
128R95Very high93.9Very high148 Ų14818.9 Ų18.956%0.55810%0.102SC*.  trans-102.8-0.6-179.365.3173.4-172.2143.44.3115.1G130 L141 E181R128-G130 PolarHBondContact O-N 3.23Å; R128-L141 HydrophobicContact CB-CB 3.77Å; R128-L141 HydrophobicContact CG-CB 4.09Å; R128-L141 HydrophobicContact CG-CD2 4.11Å; R128-E181 VanDerWaalsContact CG-OE2 3.25Å; R128-E181 WeakPolarHBondContact CG-OE2 3.45Å; R128-E181 IonicContact CZ-OE1 3.46Å; R128-E181 IonicContact CZ-OE2 3.04Å; R128-E181 VanDerWaalsContact NE-CD 3.27Å; R128-E181 IonicContact NE-OE1 3.28Å; R128-E181 PolarHBondContact NE-OE1 2.82Å; R128-E181 IonicContact NE-OE2 2.81Å; R128-E181 PolarHBondContact NE-OE2 3.48Å; R128-E181 IonicContact NH2-OE1 2.77Å; R128-E181 PolarHBondContact NH2-OE1 2.85Å; R128-E181 IonicContact NH2-OE2 2.65Å
129I95.1Very high93.3Very high13 Ų1320 Ų207%0.06711%0.114CC..SBendtrans-61.6-29.7179.8-61.8-52.7000112.2C131 E178 E181 I213 I247I129-C131 VanDerWaalsContact CG2-SG 3.57Å; I129-E178 HydrophobicContact CD1-CB 3.87Å; I129-E178 HydrophobicContact CD1-CG 3.96Å; I129-E178 HydrophobicContact CG1-CB 3.59Å; I129-E178 HydrophobicContact CG1-CG 4.12Å; I129-E181 HydrophobicContact CD1-CG 4.41Å; I129-I213 HydrophobicContact CD1-CD1 4.16Å; I129-I247 HydrophobicContact CG2-CB 4.09Å; I129-I247 HydrophobicContact CG2-CG2 4.18Å
130G93.3Very high93Very high29 Ų2921.1 Ų21.130%0.29913%0.126SC..  trans76.519.8174.200000114.6R128 T132 P246R128-G130 PolarHBondContact O-N 3.23Å; G130-T132 PolarHBondContact O-N 3.19Å; G130-T132 VanDerWaalsContact O-N 3.11Å; G130-P246 WeakPolarHBondContact O-CD 3.4Å; G130-P246 WeakPolarHBondContact O-CG 3.39Å
131C94.4Very high92.9Very high13 Ų1321.7 Ų21.79%0.08813%0.127CC..  trans-48.5120.5169.1-62.10000109.8I129 F133 C134 T137 L244I129-C131 VanDerWaalsContact CG2-SG 3.57Å; C131-F133 HydrophobicContact CB-CD1 4.47Å; C131-F133 HydrophobicContact CB-CE1 4.05Å; C131-F133 HydrophobicContact CB-CE2 4.29Å; C131-F133 HydrophobicContact CB-CZ 3.95Å; C131-F133 PolarHBondContact O-N 2.89Å; C131-C134 HydrophobicContact CB-CB 3.91Å; C131-C134 PolarHBondContact O-N 2.59Å; C131-T137 PolarHBondContact O-OG1 3.38Å; C131-L244 WeakPolarHBondContact CA-O 3.5Å
132T92.5Very high92.7Very high34 Ų3425 Ų2521%0.20914%0.142CC..THydrogen-bonded Turntrans-74.5-15.4-168.454.30000112.9G130 R243 L244 R313 Y315G130-T132 PolarHBondContact O-N 3.19Å; G130-T132 VanDerWaalsContact O-N 3.11Å; T132-R243 VanDerWaalsContact CG2-O 3.25Å; T132-R243 WeakPolarHBondContact CG2-O 3.29Å; T132-R243 PolarHBondContact OG1-O 2.66Å; T132-L244 PolarHBondContact N-O 3.18Å; T132-L244 WeakPolarHBondContact OG1-CA 3.1Å; T132-L244 PolarHBondContact OG1-O 3.35Å; T132-R313 WeakPolarHBondContact O-CD 3.44Å; T132-R313 WeakPolarHBondContact O-CG 3.28Å; T132-R313 VanDerWaalsContact O-CZ 3.31Å; T132-R313 PolarHBondContact O-NE 2.81Å; T132-R313 PolarHBondContact O-NH1 3.48Å; T132-Y315 WeakPolarHBondContact CB-OH 3.28Å; T132-Y315 WeakPolarHBondContact O-CE2 3.3Å; T132-Y315 PolarHBondContact OG1-OH 3.09Å
133F90Very high92.6Very high35 Ų3525.6 Ų25.615%0.15414%0.144CC..THydrogen-bonded Turntrans-97-6.9177.355.2-96.7000113.6C131 H234 L244 M245 F278 Y315C131-F133 HydrophobicContact CB-CD1 4.47Å; C131-F133 HydrophobicContact CB-CE1 4.05Å; C131-F133 HydrophobicContact CB-CE2 4.29Å; C131-F133 HydrophobicContact CB-CZ 3.95Å; C131-F133 PolarHBondContact O-N 2.89Å; F133-H234 AromaticContact CZ-CD2 3.76Å; F133-H234 AromaticContact CZ-CE1 3.89Å; F133-H234 AromaticContact CZ-NE2 3.64Å; F133-L244 HydrophobicContact CD1-CB 4.26Å; F133-L244 HydrophobicContact CD1-CD2 4.26Å; F133-L244 HydrophobicContact CE1-CB 4.12Å; F133-M245 HydrophobicContact CE1-CG 3.82Å; F133-M245 HydrophobicContact CZ-CG 4.21Å; F133-F278 HydrophobicContact CB-CD1 4.29Å; F133-F278 HydrophobicContact CB-CE1 3.31Å; F133-F278 HydrophobicContact CB-CZ 3.73Å; F133-F278 AromaticContact CD1-CE1 3.93Å; F133-F278 HydrophobicContact CD1-CE1 3.93Å; F133-F278 HydrophobicContact CD1-CE2 4.15Å; F133-F278 AromaticContact CD1-CZ 3.41Å; F133-F278 HydrophobicContact CD1-CZ 3.41Å; F133-F278 VanDerWaalsContact CD1-CZ 3.41Å; F133-F278 HydrophobicContact CD2-CE1 4.15Å; F133-F278 AromaticContact CD2-CZ 3.83Å; F133-F278 HydrophobicContact CD2-CZ 3.83Å; F133-F278 HydrophobicContact CE1-CE2 4.39Å; F133-F278 AromaticContact CE1-CZ 3.9Å; F133-F278 HydrophobicContact CE1-CZ 3.9Å; F133-F278 HydrophobicContact CE2-CZ 4.27Å; F133-F278 AromaticContact CG-CE1 3.54Å; F133-F278 HydrophobicContact CG-CE1 3.54Å; F133-F278 HydrophobicContact CG-CE2 4.48Å; F133-F278 AromaticContact CG-CZ 3.36Å; F133-F278 HydrophobicContact CG-CZ 3.36Å; F133-F278 HydrophobicContact CZ-CZ 4.3Å; F133-Y315 HydrophobicContact CB-CD2 3.73Å; F133-Y315 HydrophobicContact CB-CE2 3.83Å; F133-Y315 HydrophobicContact CB-CG 4.49Å
134C89.8Confident92.5Very high27 Ų2725.6 Ų25.618%0.18214%0.144CC..  trans-98.6133.1-173-170.70000110.9C131 S136 T137 R313C131-C134 HydrophobicContact CB-CB 3.91Å; C131-C134 PolarHBondContact O-N 2.59Å; C134-S136 VanDerWaalsContact C-N 3.34Å; C134-S136 VanDerWaalsContact SG-CB 3.56Å; C134-T137 HydrophobicContact CB-CG2 4.33Å; C134-T137 PolarHBondContact O-OG1 2.81Å; C134-R313 PolarHBondContact O-NE 2.8Å; C134-R313 PolarHBondContact O-NH2 2.9Å; C134-R313 VanDerWaalsContact O-NH2 3.08Å
135A88.1Confident92.5Very high4 Ų425.5 Ų25.53%0.03314%0.144CC..G310 helixtrans-72.7-28.7175.900000111.8T137 L138 V310 Q353A135-T137 PolarHBondContact O-N 3.23Å; A135-L138 HydrophobicContact CB-CD1 4.36Å; A135-L138 VanDerWaalsContact O-CB 3.23Å; A135-L138 WeakPolarHBondContact O-CB 3.48Å; A135-L138 WeakPolarHBondContact O-CG 3.16Å; A135-L138 PolarHBondContact O-N 3.4Å; A135-V310 HydrophobicContact CB-CG1 4.27Å; A135-Q353 HydrophobicContact CB-CG 4.11Å
136S87.1Confident92.5Very high2 Ų225.7 Ų25.71%0.01415%0.145CC..G310 helixtrans-61-15.9179-57.80000115.4C127 C134 C351C127-S136 PolarHBondContact N-O 3.01Å; C134-S136 VanDerWaalsContact C-N 3.34Å; C134-S136 VanDerWaalsContact SG-CB 3.56Å; S136-C351 PolarHBondContact OG-O 3.41Å; S136-C351 PolarHBondContact OG-SG 3.13Å
137T88.5Confident92.6Very high19 Ų1925.7 Ų25.712%0.11715%0.145CC..G310 helixtrans-88.7-5.9177.1630000112.8C127 C131 C134 A135 G140 R313C127-T137 HydrophobicContact CB-CG2 4.19Å; C127-T137 WeakPolarHBondContact O-CA 3.33Å; C131-T137 PolarHBondContact O-OG1 3.38Å; C134-T137 HydrophobicContact CB-CG2 4.33Å; C134-T137 PolarHBondContact O-OG1 2.81Å; A135-T137 PolarHBondContact O-N 3.23Å; T137-G140 PolarHBondContact O-N 2.83Å; T137-R313 PolarHBondContact OG1-NH2 3.33Å
138L85.9Confident92.6Very high40 Ų4025.3 Ų25.321%0.20914%0.142CC..THydrogen-bonded Turntrans-67.2130.1169.9-59.3173000109.6A135 G140 E312 A356 T363A135-L138 HydrophobicContact CB-CD1 4.36Å; A135-L138 VanDerWaalsContact O-CB 3.23Å; A135-L138 WeakPolarHBondContact O-CB 3.48Å; A135-L138 WeakPolarHBondContact O-CG 3.16Å; A135-L138 PolarHBondContact O-N 3.4Å; L138-G140 PolarHBondContact O-N 2.9Å; L138-E312 HydrophobicContact CD1-CB 4.08Å; L138-E312 HydrophobicContact CD1-CG 3.91Å; L138-A356 HydrophobicContact CD1-CB 4.18Å; L138-T363 CarbonylContact C-O 3.58Å
139G85.9Confident92.7Very high25 Ų2518.3 Ų18.326%0.25812%0.115SC..THydrogen-bonded Turntrans76.5-4.1-17600000115.6K142 T363G139-K142 WeakPolarHBondContact O-CE 3.49Å; G139-K142 PolarHBondContact O-NZ 3.1Å; G139-T363 WeakPolarHBondContact CA-O 3.17Å; G139-T363 PolarHBondContact N-O 3.32Å; G139-T363 VanDerWaalsContact N-O 3.11Å
140G92.1Very high92.9Very high25 Ų2517.7 Ų17.726%0.25811%0.112SC..  trans68.6-175.4178.500000114.9G126 T137 L138G126-G140 WeakPolarHBondContact CA-O 3.46Å; T137-G140 PolarHBondContact O-N 2.83Å; L138-G140 PolarHBondContact O-N 2.9Å
141L95.1Very high93.1Very high28 Ų2816.3 Ų16.315%0.14710%0.098CC..  trans-74127.1176177.867.3000110.4F12 Q124 R128F12-L141 HydrophobicContact CD1-CD2 3.88Å; F12-L141 HydrophobicContact CD1-CG 4.42Å; F12-L141 HydrophobicContact CD2-CD2 4.27Å; F12-L141 HydrophobicContact CE1-CD2 3.88Å; F12-L141 HydrophobicContact CE2-CD2 4.27Å; F12-L141 HydrophobicContact CG-CD2 4.08Å; F12-L141 HydrophobicContact CZ-CD2 4.07Å; Q124-L141 HydrophobicContact CB-CD1 3.77Å; Q124-L141 HydrophobicContact CG-CD1 4.16Å; R128-L141 HydrophobicContact CB-CB 3.77Å; R128-L141 HydrophobicContact CG-CB 4.09Å; R128-L141 HydrophobicContact CG-CD2 4.11Å
142K94.8Very high93.3Very high70 Ų7015.8 Ų15.830%0.3049%0.094SC..  trans-94.6-53.2170.2-51.3-53.7-172.4-171.30110.7Y104 V125 G139 E362Y104-K142 HydrophobicContact CE1-CB 4.18Å; Y104-K142 HydrophobicContact CE1-CG 4.01Å; Y104-K142 HydrophobicContact CE2-CB 4.47Å; V125-K142 HydrophobicContact CB-CB 4.2Å; V125-K142 HydrophobicContact CG1-CB 3.91Å; V125-K142 HydrophobicContact CG1-CG 4.02Å; V125-K142 PolarHBondContact O-N 3.42Å; G139-K142 WeakPolarHBondContact O-CE 3.49Å; G139-K142 PolarHBondContact O-NZ 3.1Å; K142-E362 WeakPolarHBondContact CE-O 3.39Å
143R95.6Very high93.6Very high13 Ų1314.1 Ų14.15%0.0498%0.084CC..EExtended strand (participates in β ladder)trans-161.6166.6178.268.4166.5179.995.3-11.7113.7F12 D102 V125 E149F12-R143 WeakPolarHBondContact O-CA 3.4Å; F12-R143 VanDerWaalsContact O-CB 3.24Å; F12-R143 WeakPolarHBondContact O-CB 3.04Å; D102-R143 VanDerWaalsContact CG-NH2 3.34Å; D102-R143 IonicContact OD1-CZ 2.98Å; D102-R143 IonicContact OD1-NE 3.57Å; D102-R143 IonicContact OD1-NH2 2.93Å; D102-R143 PolarHBondContact OD1-NH2 3.17Å; D102-R143 WeakPolarHBondContact OD2-CD 3.47Å; D102-R143 IonicContact OD2-CZ 3.38Å; D102-R143 VanDerWaalsContact OD2-CZ 3.32Å; D102-R143 IonicContact OD2-NE 2.93Å; D102-R143 PolarHBondContact OD2-NE 3.01Å; D102-R143 IonicContact OD2-NH2 3.37Å; D102-R143 PolarHBondContact OD2-NH2 3.43Å; V125-R143 HydrophobicContact CB-CG 4.07Å; V125-R143 HydrophobicContact CG2-CG 3.9Å; V125-R143 PolarHBondContact N-O 3.04Å; V125-R143 PolarHBondContact O-N 3.35Å; R143-E149 IonicContact CZ-OE1 3.09Å; R143-E149 IonicContact CZ-OE2 2.76Å; R143-E149 IonicContact NH1-OE1 3.54Å; R143-E149 PolarHBondContact NH1-OE1 3.14Å; R143-E149 VanDerWaalsContact NH1-OE1 3.16Å; R143-E149 IonicContact NH1-OE2 3.08Å; R143-E149 PolarHBondContact NH1-OE2 3.03Å; R143-E149 IonicContact NH2-OE1 3.72Å; R143-E149 PolarHBondContact NH2-OE1 3.3Å; R143-E149 IonicContact NH2-OE2 2.62Å
144N96.8Very high94Very high2 Ų212.5 Ų12.51%0.0118%0.077CC..EExtended strand (participates in β ladder)trans-81.2152.8167.5-78.7-19.4000110.6N10 F12 L13 P14 Q124 E181 N182N10-N144 VanDerWaalsContact CG-ND2 3.31Å; N10-N144 PolarHBondContact ND2-ND2 3.13Å; N10-N144 PolarHBondContact OD1-ND2 2.79Å; F12-N144 HydrophobicContact CB-CB 4.14Å; F12-N144 PolarHBondContact O-N 2.93Å; L13-N144 HydrophobicContact CD2-CB 4.18Å; P14-N144 WeakPolarHBondContact CD-O 3.25Å; Q124-N144 VanDerWaalsContact CG-OD1 3.31Å; Q124-N144 WeakPolarHBondContact CG-OD1 3.38Å; Q124-N144 PolarHBondContact NE2-OD1 3.35Å; N144-E181 PolarHBondContact ND2-O 3.36Å; N144-N182 HydrophobicContact CB-CB 4.36Å; N144-N182 WeakPolarHBondContact CB-OD1 3.26Å
145L97Very high94.3Very high0 Ų011.4 Ų11.40%07%0.069CC..PPolyproline II helixtrans-88.1144.8169.8-62.8-167.9000110.9L100 I106 T122 T123 V125 E149 I150 N182 E185L100-L145 HydrophobicContact CD1-CD2 3.6Å; I106-L145 HydrophobicContact CD1-CD1 3.89Å; I106-L145 HydrophobicContact CG2-CD2 4.47Å; T122-L145 HydrophobicContact CG2-CD1 4.04Å; T122-L145 WeakPolarHBondContact O-CD1 3.47Å; T123-L145 WeakPolarHBondContact O-CB 3.18Å; T123-L145 PolarHBondContact O-N 3.41Å; T123-L145 VanDerWaalsContact O-N 3.1Å; V125-L145 HydrophobicContact CG2-CD2 3.81Å; L145-E149 VanDerWaalsContact CA-OE2 3.23Å; L145-E149 WeakPolarHBondContact CA-OE2 3.46Å; L145-E149 HydrophobicContact CB-CB 4.07Å; L145-E149 HydrophobicContact CD1-CB 4.38Å; L145-E149 HydrophobicContact CD2-CB 4.46Å; L145-I150 HydrophobicContact CB-CD1 4.48Å; L145-I150 HydrophobicContact CB-CG1 3.92Å; L145-I150 HydrophobicContact CD1-CG1 4.24Å; L145-N182 PolarHBondContact N-ND2 3.15Å; L145-N182 PolarHBondContact O-ND2 3.04Å; L145-E185 WeakPolarHBondContact O-CB 3.46Å; L145-E185 WeakPolarHBondContact O-CG 3.49Å
146E95.7Very high94.7Very high4 Ų412.6 Ų12.62%0.0198%0.077CC..PPolyproline II helixtrans-66.6153163.4-58.8-169.1171.300110.4I2 P14 F16 S20 S23 G148 E149 I150I2-E146 HydrophobicContact CD1-CB 4.28Å; I2-E146 HydrophobicContact CD1-CG 3.65Å; I2-E146 WeakPolarHBondContact CD1-OE1 3.36Å; P14-E146 HydrophobicContact CG-CG 3.95Å; F16-E146 WeakPolarHBondContact CD2-OE1 3.22Å; S20-E146 PolarHBondContact N-OE2 2.71Å; S23-E146 PolarHBondContact OG-OE2 3.16Å; E146-G148 PolarHBondContact O-N 3.16Å; E146-G148 VanDerWaalsContact O-N 3.13Å; E146-E149 HydrophobicContact CB-CG 4.3Å; E146-E149 PolarHBondContact N-OE2 2.67Å; E146-E149 WeakPolarHBondContact O-CB 3.29Å; E146-E149 PolarHBondContact O-N 3.16Å; E146-I150 PolarHBondContact O-N 2.98Å
147A96.3Very high95.2Very high0 Ų012.5 Ų12.50%08%0.076CC..Hα-helixtrans-49.8-41.6173.500000112E149 I150 V151 E185 D188 F189 I192A147-E149 PolarHBondContact O-N 3.42Å; A147-I150 WeakPolarHBondContact O-CB 3.45Å; A147-I150 PolarHBondContact O-N 2.83Å; A147-I150 VanDerWaalsContact O-N 3.1Å; A147-V151 WeakPolarHBondContact O-CG2 3.47Å; A147-V151 PolarHBondContact O-N 3.46Å; A147-E185 WeakPolarHBondContact CB-O 3.44Å; A147-E185 WeakPolarHBondContact CB-OE2 3.47Å; A147-E185 PolarHBondContact N-OE2 2.73Å; A147-D188 HydrophobicContact CB-CB 3.72Å; A147-F189 HydrophobicContact CB-CB 4.36Å; A147-I192 HydrophobicContact CB-CD1 4.42Å
148G96.3Very high95.6Very high0 Ų012.4 Ų12.40%07%0.074CC..Hα-helixtrans-65-31.7177.700000114.2Y22 S23 E146 S152Y22-G148 VanDerWaalsContact C-CA 3.46Å; Y22-G148 WeakPolarHBondContact O-CA 3.48Å; S23-G148 VanDerWaalsContact OG-CA 3.29Å; S23-G148 WeakPolarHBondContact OG-CA 3.46Å; S23-G148 PolarHBondContact OG-N 3.41Å; E146-G148 PolarHBondContact O-N 3.16Å; E146-G148 VanDerWaalsContact O-N 3.13Å; G148-S152 VanDerWaalsContact O-CB 3.28Å; G148-S152 WeakPolarHBondContact O-CB 3.49Å; G148-S152 PolarHBondContact O-N 3.19Å; G148-S152 PolarHBondContact O-OG 2.89Å
149E97.3Very high96Very high1 Ų113.3 Ų13.31%0.0058%0.076CC..Hα-helixtrans-69.6-35.6171.6-67.5178.2117.300111T79 L100 R143 L145 E146 A147 Q153T79-E149 HydrophobicContact CG2-CG 4.09Å; L100-E149 HydrophobicContact CD2-CB 4.41Å; L100-E149 HydrophobicContact CD2-CG 4.34Å; R143-E149 IonicContact CZ-OE1 3.09Å; R143-E149 IonicContact CZ-OE2 2.76Å; R143-E149 IonicContact NH1-OE1 3.54Å; R143-E149 PolarHBondContact NH1-OE1 3.14Å; R143-E149 VanDerWaalsContact NH1-OE1 3.16Å; R143-E149 IonicContact NH1-OE2 3.08Å; R143-E149 PolarHBondContact NH1-OE2 3.03Å; R143-E149 IonicContact NH2-OE1 3.72Å; R143-E149 PolarHBondContact NH2-OE1 3.3Å; R143-E149 IonicContact NH2-OE2 2.62Å; L145-E149 VanDerWaalsContact CA-OE2 3.23Å; L145-E149 WeakPolarHBondContact CA-OE2 3.46Å; L145-E149 HydrophobicContact CB-CB 4.07Å; L145-E149 HydrophobicContact CD1-CB 4.38Å; L145-E149 HydrophobicContact CD2-CB 4.46Å; E146-E149 HydrophobicContact CB-CG 4.3Å; E146-E149 PolarHBondContact N-OE2 2.67Å; E146-E149 WeakPolarHBondContact O-CB 3.29Å; E146-E149 PolarHBondContact O-N 3.16Å; A147-E149 PolarHBondContact O-N 3.42Å; E149-Q153 PolarHBondContact O-N 2.91Å
150I98.4Very high96.4Very high0 Ų014.2 Ų14.20%08%0.081CC..Hα-helixtrans-69.5-45.3174.5-49.1171.9000110.7V121 T123 L145 E146 A147 S152 Q153 F189V121-I150 HydrophobicContact CB-CG2 4.08Å; V121-I150 HydrophobicContact CG2-CG2 3.94Å; T123-I150 HydrophobicContact CG2-CD1 4.23Å; L145-I150 HydrophobicContact CB-CD1 4.48Å; L145-I150 HydrophobicContact CB-CG1 3.92Å; L145-I150 HydrophobicContact CD1-CG1 4.24Å; E146-I150 PolarHBondContact O-N 2.98Å; A147-I150 WeakPolarHBondContact O-CB 3.45Å; A147-I150 PolarHBondContact O-N 2.83Å; A147-I150 VanDerWaalsContact O-N 3.1Å; I150-S152 VanDerWaalsContact C-N 3.28Å; I150-S152 PolarHBondContact O-N 2.89Å; I150-Q153 WeakPolarHBondContact O-CB 3.06Å; I150-Q153 PolarHBondContact O-N 3.26Å; I150-F189 HydrophobicContact CB-CB 4.21Å; I150-F189 HydrophobicContact CB-CD2 3.72Å; I150-F189 HydrophobicContact CB-CE2 4.23Å; I150-F189 HydrophobicContact CB-CG 3.94Å; I150-F189 HydrophobicContact CD1-CB 4.29Å; I150-F189 HydrophobicContact CG2-CB 4.31Å; I150-F189 HydrophobicContact CG2-CD1 3.84Å; I150-F189 HydrophobicContact CG2-CD2 3.43Å; I150-F189 VanDerWaalsContact CG2-CD2 3.43Å; I150-F189 HydrophobicContact CG2-CE1 3.94Å; I150-F189 HydrophobicContact CG2-CE2 3.54Å; I150-F189 HydrophobicContact CG2-CG 3.57Å; I150-F189 HydrophobicContact CG2-CZ 3.78Å
151V98.3Very high96.5Very high0 Ų013.1 Ų13.10%07%0.07CC..Hα-helixtrans-57.5-42.7173.9170.50000110.9Y22 Y51 A147 Q153 V154 L155 F189 I192 V193Y22-V151 HydrophobicContact CD1-CG1 4.14Å; Y22-V151 HydrophobicContact CG-CG1 4.25Å; Y51-V151 HydrophobicContact CE1-CG1 3.86Å; A147-V151 WeakPolarHBondContact O-CG2 3.47Å; A147-V151 PolarHBondContact O-N 3.46Å; V151-Q153 PolarHBondContact O-N 2.88Å; V151-V154 PolarHBondContact O-N 3.08Å; V151-L155 HydrophobicContact CG1-CD1 3.67Å; V151-L155 HydrophobicContact CG1-CG 4.05Å; V151-L155 PolarHBondContact O-N 3.4Å; V151-F189 HydrophobicContact CB-CD2 4.47Å; V151-F189 HydrophobicContact CG2-CD2 3.71Å; V151-F189 HydrophobicContact CG2-CE2 4.4Å; V151-I192 HydrophobicContact CG2-CB 4.24Å; V151-I192 HydrophobicContact CG2-CD1 4.49Å; V151-I192 HydrophobicContact CG2-CG2 3.75Å; V151-V193 HydrophobicContact CG2-CG1 4.31Å
152S97.6Very high96.5Very high2 Ų214.6 Ų14.61%0.0148%0.077CC..Hα-helixtrans-62.8-28.8-178.1-61.40000112.9T79 G148 I150 T156T79-S152 WeakPolarHBondContact CB-OG 3.38Å; T79-S152 WeakPolarHBondContact CG2-OG 3.41Å; T79-S152 PolarHBondContact O-OG 2.65Å; G148-S152 VanDerWaalsContact O-CB 3.28Å; G148-S152 WeakPolarHBondContact O-CB 3.49Å; G148-S152 PolarHBondContact O-N 3.19Å; G148-S152 PolarHBondContact O-OG 2.89Å; I150-S152 VanDerWaalsContact C-N 3.28Å; I150-S152 PolarHBondContact O-N 2.89Å; S152-T156 VanDerWaalsContact O-CB 3.27Å; S152-T156 WeakPolarHBondContact O-CB 3.41Å; S152-T156 PolarHBondContact O-N 3.18Å; S152-T156 PolarHBondContact O-OG1 3.16Å
153Q98.5Very high96.3Very high0 Ų015.6 Ų15.60%010%0.099CC..Hα-helixtrans-61.4-47.6172.1-66.9171.261.800110.7L81 F98 I106 T108 V121 T122 E149 I150 V151 V157L81-Q153 HydrophobicContact CD1-CB 4.3Å; L81-Q153 HydrophobicContact CD1-CG 3.76Å; F98-Q153 HydrophobicContact CD2-CG 4.36Å; I106-Q153 HydrophobicContact CD1-CG 3.83Å; T108-Q153 HydrophobicContact CG2-CB 4.11Å; T108-Q153 WeakPolarHBondContact OG1-CB 3.15Å; T108-Q153 VanDerWaalsContact OG1-CG 3.3Å; T108-Q153 WeakPolarHBondContact OG1-CG 3.47Å; T108-Q153 PolarHBondContact OG1-OE1 3.36Å; V121-Q153 HydrophobicContact CG1-CB 4.17Å; T122-Q153 PolarHBondContact O-NE2 2.89Å; E149-Q153 PolarHBondContact O-N 2.91Å; I150-Q153 WeakPolarHBondContact O-CB 3.06Å; I150-Q153 PolarHBondContact O-N 3.26Å; V151-Q153 PolarHBondContact O-N 2.88Å; Q153-V157 WeakPolarHBondContact O-CG2 3.43Å; Q153-V157 PolarHBondContact O-N 3.4Å; Q153-V157 VanDerWaalsContact O-N 3.12Å
154V98.3Very high96.1Very high0 Ų018.8 Ų18.80%012%0.12CC..Hα-helixtrans-66.7-43.2179.5-172.50000110.9V121 V151 V157 Q158 V168 I171 F189 L199V121-V154 HydrophobicContact CG1-CG2 3.65Å; V151-V154 PolarHBondContact O-N 3.08Å; V154-V157 PolarHBondContact O-N 3.17Å; V154-Q158 WeakPolarHBondContact O-CB 3.14Å; V154-Q158 PolarHBondContact O-N 3.36Å; V154-V168 HydrophobicContact CG1-CB 4.37Å; V154-V168 HydrophobicContact CG1-CG1 4.04Å; V154-V168 HydrophobicContact CG1-CG2 4.36Å; V154-I171 HydrophobicContact CG1-CD1 4.24Å; V154-I171 HydrophobicContact CG2-CD1 3.98Å; V154-I171 HydrophobicContact CG2-CG1 4.39Å; V154-F189 HydrophobicContact CG2-CE2 3.93Å; V154-F189 HydrophobicContact CG2-CZ 4.11Å; V154-L199 HydrophobicContact CB-CD1 4.08Å; V154-L199 HydrophobicContact CG1-CD1 3.53Å
155L97.4Very high96Very high4 Ų427.8 Ų27.82%0.02116%0.162CC..Hα-helixtrans-64.7-41.7179-71.2175000112.6Y22 Y51 R54 V151 V157 Q158 K159 L199Y22-L155 HydrophobicContact CD1-CD1 3.6Å; Y22-L155 HydrophobicContact CD2-CD1 4.47Å; Y22-L155 HydrophobicContact CE1-CD1 3.19Å; Y22-L155 HydrophobicContact CE2-CD1 4.16Å; Y22-L155 HydrophobicContact CG-CD1 4.23Å; Y51-L155 HydrophobicContact CD1-CD1 4.38Å; Y51-L155 HydrophobicContact CD1-CD2 4.08Å; Y51-L155 HydrophobicContact CE1-CD1 4.39Å; R54-L155 HydrophobicContact CG-CD2 4.13Å; V151-L155 HydrophobicContact CG1-CD1 3.67Å; V151-L155 HydrophobicContact CG1-CG 4.05Å; V151-L155 PolarHBondContact O-N 3.4Å; L155-V157 VanDerWaalsContact C-N 3.33Å; L155-V157 PolarHBondContact O-N 2.92Å; L155-Q158 PolarHBondContact O-N 2.99Å; L155-K159 WeakPolarHBondContact O-CG 3.39Å; L155-K159 PolarHBondContact O-N 3.45Å; L155-L199 HydrophobicContact CD2-CD1 4.46Å; L155-L199 HydrophobicContact CD2-CD2 3.86Å; L155-L199 HydrophobicContact CD2-CG 4.37Å
156T96.3Very high95.9Very high30 Ų3030.5 Ų30.518%0.18418%0.175CC..Hα-helixtrans-64.3-40.9177.8-55.70000110.8F98 S152 K159 A160F98-T156 HydrophobicContact CE1-CG2 3.6Å; F98-T156 HydrophobicContact CZ-CG2 3.63Å; S152-T156 VanDerWaalsContact O-CB 3.27Å; S152-T156 WeakPolarHBondContact O-CB 3.41Å; S152-T156 PolarHBondContact O-N 3.18Å; S152-T156 PolarHBondContact O-OG1 3.16Å; T156-K159 PolarHBondContact O-N 2.87Å; T156-A160 PolarHBondContact O-N 3.11Å
157V97.1Very high95.9Very high0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-68-411741760000111.7F96 F98 T108 L110 V119 Q153 V154 L155 K159 A160 L161 V168F96-V157 HydrophobicContact CD2-CG2 4.02Å; F96-V157 HydrophobicContact CE2-CG2 3.83Å; F96-V157 HydrophobicContact CZ-CG2 4.45Å; F98-V157 HydrophobicContact CZ-CG2 4.44Å; T108-V157 HydrophobicContact CG2-CG2 3.73Å; L110-V157 HydrophobicContact CB-CG1 3.97Å; L110-V157 HydrophobicContact CD1-CG1 4.11Å; L110-V157 HydrophobicContact CD2-CG1 4.09Å; L110-V157 HydrophobicContact CG-CG1 4.28Å; V119-V157 HydrophobicContact CG1-CG2 4.31Å; V119-V157 HydrophobicContact CG2-CB 4.17Å; V119-V157 HydrophobicContact CG2-CG1 3.63Å; Q153-V157 WeakPolarHBondContact O-CG2 3.43Å; Q153-V157 PolarHBondContact O-N 3.4Å; Q153-V157 VanDerWaalsContact O-N 3.12Å; V154-V157 PolarHBondContact O-N 3.17Å; L155-V157 VanDerWaalsContact C-N 3.33Å; L155-V157 PolarHBondContact O-N 2.92Å; V157-K159 VanDerWaalsContact C-N 3.35Å; V157-K159 PolarHBondContact O-N 2.93Å; V157-A160 WeakPolarHBondContact O-CB 3.2Å; V157-A160 PolarHBondContact O-N 2.99Å; V157-A160 VanDerWaalsContact O-N 3.11Å; V157-L161 HydrophobicContact CG1-CD1 4.4Å; V157-L161 PolarHBondContact O-N 3.36Å; V157-V168 HydrophobicContact CG1-CG2 4.25Å
158Q97.1Very high96Very high16 Ų1637.2 Ų37.28%0.07520%0.2CC..Hα-helixtrans-60.5-43.8175.7-179.95762.300111.3V154 L155 A160 L161 D162 E166 V168V154-Q158 WeakPolarHBondContact O-CB 3.14Å; V154-Q158 PolarHBondContact O-N 3.36Å; L155-Q158 PolarHBondContact O-N 2.99Å; Q158-A160 PolarHBondContact O-N 2.87Å; Q158-L161 CarbonylContact O-C 3.59Å; Q158-L161 WeakPolarHBondContact O-CA 3.4Å; Q158-L161 WeakPolarHBondContact O-CB 3.41Å; Q158-L161 PolarHBondContact O-N 3.18Å; Q158-D162 PolarHBondContact NE2-OD1 2.9Å; Q158-D162 VanDerWaalsContact O-CG 3.28Å; Q158-D162 PolarHBondContact O-N 3.26Å; Q158-D162 VanDerWaalsContact O-OD1 3.11Å; Q158-E166 PolarHBondContact NE2-O 2.94Å; Q158-V168 HydrophobicContact CB-CG2 4.17Å
159K94.6Very high96Very high59 Ų5938.4 Ų38.426%0.25721%0.209SC..Hα-helixtrans-56.1-39.3173.1-75-176.1179.1-160.30112.4R54 D56 L155 T156 V157 L161 D162R54-K159 HydrophobicContact CB-CD 4.44Å; R54-K159 HydrophobicContact CB-CG 4.03Å; R54-K159 WeakPolarHBondContact O-CE 3.36Å; R54-K159 PolarHBondContact O-NZ 3.21Å; D56-K159 IonicContact OD1-NZ 3.17Å; D56-K159 PolarHBondContact OD1-NZ 2.82Å; D56-K159 IonicContact OD2-NZ 3.59Å; D56-K159 PolarHBondContact OD2-NZ 3.42Å; L155-K159 WeakPolarHBondContact O-CG 3.39Å; L155-K159 PolarHBondContact O-N 3.45Å; T156-K159 PolarHBondContact O-N 2.87Å; V157-K159 VanDerWaalsContact C-N 3.35Å; V157-K159 PolarHBondContact O-N 2.93Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.4Å; K159-D162 WeakPolarHBondContact O-CB 3.33Å; K159-D162 PolarHBondContact O-N 3.1Å
160A93Very high96.1Very high44 Ų4440 Ų4036%0.36422%0.216SC..Hα-helixtrans-67.8-31.4176.400000112.8F96 T156 V157 Q158F96-A160 HydrophobicContact CZ-CB 4.42Å; T156-A160 PolarHBondContact O-N 3.11Å; V157-A160 WeakPolarHBondContact O-CB 3.2Å; V157-A160 PolarHBondContact O-N 2.99Å; V157-A160 VanDerWaalsContact O-N 3.11Å; Q158-A160 PolarHBondContact O-N 2.87Å
161L95.5Very high96.1Very high3 Ų340 Ų402%0.01622%0.216CC..Hα-helixtrans-79.9-19.8176.1-71.3176.6000113.7L110 N117 V157 Q158 K159 A163 T164 E165 E166 V168L110-L161 HydrophobicContact CD1-CD1 4.14Å; L110-L161 HydrophobicContact CD2-CD1 4.41Å; L110-L161 HydrophobicContact CD2-CD2 3.71Å; L110-L161 HydrophobicContact CD2-CG 4.15Å; N117-L161 HydrophobicContact CB-CD1 4.19Å; V157-L161 HydrophobicContact CG1-CD1 4.4Å; V157-L161 PolarHBondContact O-N 3.36Å; Q158-L161 CarbonylContact O-C 3.59Å; Q158-L161 WeakPolarHBondContact O-CA 3.4Å; Q158-L161 WeakPolarHBondContact O-CB 3.41Å; Q158-L161 PolarHBondContact O-N 3.18Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.4Å; L161-A163 PolarHBondContact O-N 3.45Å; L161-T164 CarbonylContact O-C 3.54Å; L161-T164 PolarHBondContact O-N 3.21Å; L161-T164 PolarHBondContact O-OG1 3.3Å; L161-T164 VanDerWaalsContact O-OG1 3.07Å; L161-E165 PolarHBondContact O-N 3.38Å; L161-E166 HydrophobicContact CB-CB 4.09Å; L161-E166 HydrophobicContact CD2-CB 4.05Å; L161-E166 HydrophobicContact CG-CB 4.5Å; L161-E166 PolarHBondContact O-N 2.77Å; L161-E166 VanDerWaalsContact O-N 3.11Å; L161-V168 HydrophobicContact CD1-CG2 3.79Å
162D94.2Very high96.1Very high58 Ų5841 Ų4131%0.3122%0.222SC..Hα-helixtrans-59.9-30.6177.2-67.1-20.2000112R54 Q158 K159 T164 E165R54-D162 IonicContact CZ-OD1 3.18Å; R54-D162 IonicContact CZ-OD2 2.77Å; R54-D162 IonicContact NE-OD1 3.94Å; R54-D162 IonicContact NE-OD2 2.88Å; R54-D162 PolarHBondContact NE-OD2 3.03Å; R54-D162 IonicContact NH2-OD1 3.8Å; R54-D162 PolarHBondContact NH2-OD1 3.11Å; R54-D162 IonicContact NH2-OD2 3.45Å; R54-D162 PolarHBondContact NH2-OD2 3.3Å; Q158-D162 PolarHBondContact NE2-OD1 2.9Å; Q158-D162 VanDerWaalsContact O-CG 3.28Å; Q158-D162 PolarHBondContact O-N 3.26Å; Q158-D162 VanDerWaalsContact O-OD1 3.11Å; K159-D162 WeakPolarHBondContact O-CB 3.33Å; K159-D162 PolarHBondContact O-N 3.1Å; D162-T164 PolarHBondContact O-N 2.97Å; D162-E165 PolarHBondContact O-N 3.25Å; D162-E165 VanDerWaalsContact O-N 3.13Å
163A91.1Very high96.1Very high92 Ų9241 Ų4176%0.7622%0.222SC*.THydrogen-bonded Turntrans-63.2-20.6176.400000113.7L161L161-A163 PolarHBondContact O-N 3.45Å
164T92.5Very high95.9Very high79 Ų7942.9 Ų42.949%0.48523%0.231SC..THydrogen-bonded Turntrans-113.810.6177.653.60000112.5L161 D162 E166L161-T164 CarbonylContact O-C 3.54Å; L161-T164 PolarHBondContact O-N 3.21Å; L161-T164 PolarHBondContact O-OG1 3.3Å; L161-T164 VanDerWaalsContact O-OG1 3.07Å; D162-T164 PolarHBondContact O-N 2.97Å; T164-E166 WeakPolarHBondContact CB-OE2 3.46Å; T164-E166 PolarHBondContact O-N 2.86Å; T164-E166 VanDerWaalsContact O-N 3.15Å; T164-E166 WeakPolarHBondContact OG1-CG 3.41Å; T164-E166 PolarHBondContact OG1-OE2 2.9Å
165E93.4Very high95.8Very high191 Ų19143.6 Ų43.689%0.89324%0.239SC*.THydrogen-bonded Turntrans54.427.5-175.3-57.2-175.7171.900113.3L161 D162L161-E165 PolarHBondContact O-N 3.38Å; D162-E165 PolarHBondContact O-N 3.25Å; D162-E165 VanDerWaalsContact O-N 3.13Å
166E95.4Very high95.7Very high57 Ų5743.4 Ų43.427%0.26624%0.238SC..  trans-94.8159.1178.7-66.8-175.785.100111.4R112 N117 Q158 L161 T164R112-E166 IonicContact CZ-OE1 3.86Å; R112-E166 IonicContact CZ-OE2 2.77Å; R112-E166 IonicContact NH1-OE1 3.78Å; R112-E166 PolarHBondContact NH1-OE1 3.48Å; R112-E166 IonicContact NH1-OE2 3.75Å; R112-E166 PolarHBondContact NH1-OE2 2.88Å; R112-E166 IonicContact NH2-OE2 4Å; R112-E166 PolarHBondContact NH2-OE2 2.89Å; N117-E166 PolarHBondContact ND2-OE1 2.9Å; Q158-E166 PolarHBondContact NE2-O 2.94Å; L161-E166 HydrophobicContact CB-CB 4.09Å; L161-E166 HydrophobicContact CD2-CB 4.05Å; L161-E166 HydrophobicContact CG-CB 4.5Å; L161-E166 PolarHBondContact O-N 2.77Å; L161-E166 VanDerWaalsContact O-N 3.11Å; T164-E166 WeakPolarHBondContact CB-OE2 3.46Å; T164-E166 PolarHBondContact O-N 2.86Å; T164-E166 VanDerWaalsContact O-N 3.15Å; T164-E166 WeakPolarHBondContact OG1-CG 3.41Å; T164-E166 PolarHBondContact OG1-OE2 2.9Å
167R96.3Very high95.6Very high143 Ų14342.8 Ų42.854%0.5424%0.237SC..  trans-120.6147.717569.3178.7-73.9-170.71.5112.5N117 S169 N200N117-R167 WeakPolarHBondContact CB-O 3.3Å; R167-S169 PolarHBondContact O-N 3.31Å; R167-N200 PolarHBondContact NH2-O 3.33Å
168V97.8Very high95.6Very high3 Ų343 Ų432%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-65.3117.8158.1179.60000107.4V119 V154 V157 Q158 L161 Q170 I171 I201V119-V168 HydrophobicContact CB-CG1 4.16Å; V119-V168 HydrophobicContact CG2-CB 4.23Å; V119-V168 HydrophobicContact CG2-CG1 3.59Å; V119-V168 HydrophobicContact CG2-CG2 3.6Å; V154-V168 HydrophobicContact CG1-CB 4.37Å; V154-V168 HydrophobicContact CG1-CG1 4.04Å; V154-V168 HydrophobicContact CG1-CG2 4.36Å; V157-V168 HydrophobicContact CG1-CG2 4.25Å; Q158-V168 HydrophobicContact CB-CG2 4.17Å; L161-V168 HydrophobicContact CD1-CG2 3.79Å; V168-Q170 WeakPolarHBondContact CG1-O 3.46Å; V168-I171 HydrophobicContact CG1-CG1 4.38Å; V168-I201 HydrophobicContact CG1-CD1 4.12Å
169S97.1Very high95.7Very high25 Ų2542.5 Ų42.518%0.17524%0.236CC..EExtended strand (participates in β ladder)trans-106.7-26.5-177.666.10000112.3G116 N117 R167 H205G116-S169 WeakPolarHBondContact CA-OG 3.29Å; N117-S169 PolarHBondContact N-OG 3.46Å; N117-S169 PolarHBondContact O-N 3.48Å; N117-S169 PolarHBondContact O-OG 3.21Å; R167-S169 PolarHBondContact O-N 3.31Å; S169-H205 VanDerWaalsContact O-CB 3.31Å; S169-H205 WeakPolarHBondContact O-CB 3.47Å
170Q98.3Very high95.8Very high33 Ų3339.8 Ų39.815%0.15422%0.224CC..EExtended strand (participates in β ladder)trans-136.5150.8-176.2-55-127.8-9.500111.1Y115 N117 S118 V119 V168 H205Y115-Q170 HydrophobicContact CE2-CG 4.28Å; N117-Q170 PolarHBondContact O-N 2.99Å; S118-Q170 CarbonylContact C-O 3.58Å; S118-Q170 WeakPolarHBondContact CA-O 3.47Å; V119-Q170 PolarHBondContact N-O 3.37Å; V168-Q170 WeakPolarHBondContact CG1-O 3.46Å; Q170-H205 CarbonylContact C-O 3.52Å; Q170-H205 WeakPolarHBondContact CA-O 3.46Å; Q170-H205 HydrophobicContact CB-CB 4.48Å; Q170-H205 WeakPolarHBondContact CB-O 3.28Å; Q170-H205 HydrophobicContact CG-CB 4.04Å; Q170-H205 PolarHBondContact NE2-ND1 3.29Å
171I98.6Very high96Very high0 Ų039.7 Ų39.70%022%0.216CC..EExtended strand (participates in β ladder)trans-128.2135.1175.6-67.4168.9000108.5V119 V121 V154 V168 I173 F189 V193 I201 H205 I206 T207V119-I171 WeakPolarHBondContact O-CA 3.43Å; V121-I171 HydrophobicContact CG1-CG2 4.48Å; V121-I171 HydrophobicContact CG2-CG2 4.04Å; V154-I171 HydrophobicContact CG1-CD1 4.24Å; V154-I171 HydrophobicContact CG2-CD1 3.98Å; V154-I171 HydrophobicContact CG2-CG1 4.39Å; V168-I171 HydrophobicContact CG1-CG1 4.38Å; I171-I173 HydrophobicContact CG2-CG1 4.34Å; I171-F189 HydrophobicContact CD1-CZ 4.05Å; I171-F189 HydrophobicContact CG2-CE1 4.12Å; I171-F189 HydrophobicContact CG2-CZ 3.89Å; I171-V193 HydrophobicContact CD1-CB 4.05Å; I171-V193 HydrophobicContact CD1-CG1 4.26Å; I171-V193 HydrophobicContact CD1-CG2 3.8Å; I171-I201 HydrophobicContact CD1-CD1 3.46Å; I171-I201 VanDerWaalsContact CD1-CD1 3.46Å; I171-I201 HydrophobicContact CG1-CD1 3.98Å; I171-H205 PolarHBondContact N-O 3.36Å; I171-I206 HydrophobicContact CB-CG1 4.4Å; I171-I206 HydrophobicContact CB-CG2 4.2Å; I171-I206 HydrophobicContact CG2-CG2 4.27Å; I171-I206 CarbonylContact O-C 3.5Å; I171-I206 VanDerWaalsContact O-CA 3.3Å; I171-I206 WeakPolarHBondContact O-CA 3.2Å; I171-T207 PolarHBondContact O-N 3.2Å
172V98Very high96Very high22 Ų2239.5 Ų39.513%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-121.2126.3168.6-59.10000109.5M111 V119 C120 V121 M174M111-V172 HydrophobicContact CE-CG2 3.89Å; V119-V172 PolarHBondContact O-N 2.97Å; C120-V172 VanDerWaalsContact CA-O 3.3Å; C120-V172 WeakPolarHBondContact CA-O 3.37Å; C120-V172 HydrophobicContact CB-CG2 3.71Å; V121-V172 PolarHBondContact N-O 2.89Å; V172-M174 VanDerWaalsContact C-N 3.32Å; V172-M174 HydrophobicContact CB-CG 4.15Å; V172-M174 HydrophobicContact CB-SD 4.43Å; V172-M174 PolarHBondContact O-N 2.83Å
173I98.4Very high96.1Very high1 Ų137.2 Ų37.21%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-93.275.7176.4-43.3-168.4000107.6V121 T123 I171 P179 M186 F189 L190 T207 V208 S209V121-I173 HydrophobicContact CG2-CB 4.34Å; V121-I173 HydrophobicContact CG2-CG1 4Å; V121-I173 HydrophobicContact CG2-CG2 4.23Å; T123-I173 HydrophobicContact CG2-CG2 3.32Å; I171-I173 HydrophobicContact CG2-CG1 4.34Å; I173-P179 HydrophobicContact CB-CG 4.39Å; I173-P179 HydrophobicContact CG2-CB 3.93Å; I173-P179 HydrophobicContact CG2-CG 3.58Å; I173-M186 HydrophobicContact CD1-CG 3.88Å; I173-F189 HydrophobicContact CD1-CD1 3.89Å; I173-F189 HydrophobicContact CD1-CE1 3.65Å; I173-F189 HydrophobicContact CG1-CE1 4.18Å; I173-L190 HydrophobicContact CD1-CD2 3.72Å; I173-L190 HydrophobicContact CD1-CG 4.17Å; I173-T207 PolarHBondContact N-O 3.39Å; I173-V208 HydrophobicContact CD1-CG2 3.88Å; I173-V208 HydrophobicContact CG1-CG2 4.4Å; I173-S209 PolarHBondContact O-N 2.79Å; I173-S209 PolarHBondContact O-OG 2.8Å
174M94.9Very high96.3Very high41 Ų4135.2 Ų35.220%0.20218%0.179CC..  trans-137.216.5-176.2-55.5-170.579.400112V172 E274V172-M174 VanDerWaalsContact C-N 3.32Å; V172-M174 HydrophobicContact CB-CG 4.15Å; V172-M174 HydrophobicContact CB-SD 4.43Å; V172-M174 PolarHBondContact O-N 2.83Å; M174-E274 HydrophobicContact CE-CG 3.75Å
175G94.4Very high96.5Very high15 Ų1531.4 Ų31.416%0.15516%0.156CC..SBendtrans-77.4-148.8175.100000111.8C120 V121 C351C120-G175 PolarHBondContact SG-N 3.42Å; C120-G175 VanDerWaalsContact SG-N 3.37Å; V121-G175 VanDerWaalsContact O-CA 3.29Å; V121-G175 WeakPolarHBondContact O-CA 3.37Å; V121-G175 PolarHBondContact O-N 2.92Å; G175-C351 PolarHBondContact O-SG 2.98Å
176I95.1Very high96.7Very high0 Ų022.3 Ų22.30%011%0.113CC..SBendtrans-72136.9-178.3-59.1169.2000109.3E107 T122 T123 Q124 C351E107-I176 HydrophobicContact CB-CD1 4.06Å; E107-I176 HydrophobicContact CG-CD1 3.98Å; T122-I176 HydrophobicContact CG2-CB 3.61Å; T122-I176 HydrophobicContact CG2-CG1 4.48Å; T122-I176 HydrophobicContact CG2-CG2 4.39Å; T122-I176 WeakPolarHBondContact CG2-O 3.11Å; T122-I176 PolarHBondContact OG1-N 3.38Å; T123-I176 PolarHBondContact N-O 2.82Å; Q124-I176 PolarHBondContact N-O 2.82Å; Q124-I176 VanDerWaalsContact O-CG2 3.26Å; Q124-I176 WeakPolarHBondContact O-CG2 3.24Å; I176-C351 VanDerWaalsContact CA-SG 3.58Å; I176-C351 PolarHBondContact N-SG 2.98Å; I176-C351 VanDerWaalsContact N-SG 3.38Å
177G95.7Very high96.8Very high16 Ų1620 Ų2017%0.16510%0.102CC..SBendtrans104.8173.7175.600000114.7
178E97Very high96.8Very high6 Ų614.2 Ų14.23%0.0288%0.082CC..  trans-102.4110.5166.7172.453.4-128.400108.9I129 F180 E181 T210 S211 I213I129-E178 HydrophobicContact CD1-CB 3.87Å; I129-E178 HydrophobicContact CD1-CG 3.96Å; I129-E178 HydrophobicContact CG1-CB 3.59Å; I129-E178 HydrophobicContact CG1-CG 4.12Å; E178-F180 HydrophobicContact CG-CB 4.45Å; E178-F180 PolarHBondContact O-N 2.83Å; E178-F180 WeakPolarHBondContact OE1-CB 3.44Å; E178-F180 PolarHBondContact OE1-N 2.77Å; E178-E181 HydrophobicContact CB-CB 4.12Å; E178-E181 HydrophobicContact CB-CG 3.91Å; E178-E181 HydrophobicContact CG-CB 4.16Å; E178-E181 HydrophobicContact CG-CG 3.7Å; E178-E181 WeakPolarHBondContact O-CB 3.49Å; E178-E181 PolarHBondContact O-N 2.71Å; E178-T210 VanDerWaalsContact OE1-CA 3.31Å; E178-T210 WeakPolarHBondContact OE1-CA 3.21Å; E178-T210 VanDerWaalsContact OE1-CB 3.29Å; E178-T210 WeakPolarHBondContact OE1-CB 3.17Å; E178-T210 PolarHBondContact OE1-OG1 3.1Å; E178-S211 WeakPolarHBondContact OE2-CA 3.07Å; E178-S211 WeakPolarHBondContact OE2-CB 3.42Å; E178-S211 PolarHBondContact OE2-N 3.03Å; E178-S211 PolarHBondContact OE2-OG 3.31Å; E178-I213 HydrophobicContact CG-CD1 4.37Å; E178-I213 HydrophobicContact CG-CG1 3.8Å
179P97.9Very high96.8Very high5 Ų514 Ų143%0.0328%0.081CC..G310 helixtrans-55-37.5-177.8-28.538.6000113.3T123 I173 E181 N182 Y183 M186 S209T123-P179 HydrophobicContact CG2-CB 4.13Å; T123-P179 HydrophobicContact CG2-CG 4.16Å; I173-P179 HydrophobicContact CB-CG 4.39Å; I173-P179 HydrophobicContact CG2-CB 3.93Å; I173-P179 HydrophobicContact CG2-CG 3.58Å; P179-E181 VanDerWaalsContact C-N 3.28Å; P179-E181 PolarHBondContact O-N 3.29Å; P179-N182 CarbonylContact O-C 3.59Å; P179-N182 WeakPolarHBondContact O-CA 3.23Å; P179-N182 PolarHBondContact O-N 3.46Å; P179-Y183 PolarHBondContact O-N 3.24Å; P179-M186 HydrophobicContact CB-CG 4.35Å; P179-M186 HydrophobicContact CB-SD 3.41Å; P179-M186 WeakPolarHBondContact CB-SD 3.43Å; P179-S209 WeakPolarHBondContact CD-O 3.37Å; P179-S209 VanDerWaalsContact CG-O 3.27Å; P179-S209 WeakPolarHBondContact CG-O 3.42Å
180F97.7Very high96.9Very high2 Ų212.9 Ų12.91%0.0097%0.073CC..G310 helixtrans-73.6-14.5178.9-73.52.8000114.1E178 N182 Y183 M186 V208 T210 I213 R216 I217 F220 F229E178-F180 HydrophobicContact CG-CB 4.45Å; E178-F180 PolarHBondContact O-N 2.83Å; E178-F180 WeakPolarHBondContact OE1-CB 3.44Å; E178-F180 PolarHBondContact OE1-N 2.77Å; F180-N182 VanDerWaalsContact C-N 3.31Å; F180-Y183 HydrophobicContact CD1-CD2 4.1Å; F180-Y183 HydrophobicContact CD1-CE2 4.47Å; F180-Y183 HydrophobicContact CE1-CE2 4.45Å; F180-M186 HydrophobicContact CD1-CE 3.95Å; F180-M186 HydrophobicContact CD1-SD 4.15Å; F180-M186 HydrophobicContact CE1-CE 3.94Å; F180-M186 HydrophobicContact CE1-SD 4.33Å; F180-V208 HydrophobicContact CD1-CG1 4.45Å; F180-V208 HydrophobicContact CE1-CG1 3.73Å; F180-V208 HydrophobicContact CZ-CG1 4.49Å; F180-T210 VanDerWaalsContact CD2-CB 3.5Å; F180-T210 HydrophobicContact CD2-CG2 3.91Å; F180-T210 VanDerWaalsContact CD2-OG1 3.27Å; F180-T210 WeakPolarHBondContact CD2-OG1 3.46Å; F180-T210 HydrophobicContact CE2-CG2 3.67Å; F180-T210 HydrophobicContact CZ-CG2 4.31Å; F180-I213 HydrophobicContact CB-CB 3.89Å; F180-I213 HydrophobicContact CB-CG1 4.02Å; F180-I213 HydrophobicContact CB-CG2 4.44Å; F180-I213 HydrophobicContact CD2-CB 4.19Å; F180-R216 HydrophobicContact CB-CB 3.69Å; F180-R216 HydrophobicContact CB-CG 3.98Å; F180-R216 HydrophobicContact CD1-CB 4.46Å; F180-R216 HydrophobicContact CD2-CB 3.43Å; F180-R216 VanDerWaalsContact CD2-CB 3.43Å; F180-R216 HydrophobicContact CE2-CB 4.08Å; F180-R216 HydrophobicContact CG-CB 3.64Å; F180-R216 HydrophobicContact CG-CG 4.44Å; F180-I217 HydrophobicContact CD2-CG1 4.42Å; F180-I217 HydrophobicContact CE2-CG1 3.78Å; F180-F220 HydrophobicContact CE1-CB 4.34Å; F180-F220 HydrophobicContact CE1-CD2 4.36Å; F180-F220 HydrophobicContact CE1-CG 4.2Å; F180-F220 HydrophobicContact CZ-CB 3.83Å; F180-F220 HydrophobicContact CZ-CD1 4.1Å; F180-F220 AromaticContact CZ-CG 3.9Å; F180-F220 HydrophobicContact CZ-CG 3.9Å; F180-F229 HydrophobicContact CE2-CE2 4.03Å; F180-F229 HydrophobicContact CE2-CZ 4.2Å; F180-F229 HydrophobicContact CZ-CD2 4.46Å; F180-F229 AromaticContact CZ-CE2 3.65Å; F180-F229 HydrophobicContact CZ-CE2 3.65Å; F180-F229 HydrophobicContact CZ-CZ 4.2Å
181E96.1Very high96.8Very high41 Ų4115.4 Ų15.419%0.1928%0.081CC..G310 helixtrans-80.7-14.8167.9-70.8-163141.800112.9R128 I129 N144 E178 P179R128-E181 VanDerWaalsContact CG-OE2 3.25Å; R128-E181 WeakPolarHBondContact CG-OE2 3.45Å; R128-E181 IonicContact CZ-OE1 3.46Å; R128-E181 IonicContact CZ-OE2 3.04Å; R128-E181 VanDerWaalsContact NE-CD 3.27Å; R128-E181 IonicContact NE-OE1 3.28Å; R128-E181 PolarHBondContact NE-OE1 2.82Å; R128-E181 IonicContact NE-OE2 2.81Å; R128-E181 PolarHBondContact NE-OE2 3.48Å; R128-E181 IonicContact NH2-OE1 2.77Å; R128-E181 PolarHBondContact NH2-OE1 2.85Å; R128-E181 IonicContact NH2-OE2 2.65Å; I129-E181 HydrophobicContact CD1-CG 4.41Å; N144-E181 PolarHBondContact ND2-O 3.36Å; E178-E181 HydrophobicContact CB-CB 4.12Å; E178-E181 HydrophobicContact CB-CG 3.91Å; E178-E181 HydrophobicContact CG-CB 4.16Å; E178-E181 HydrophobicContact CG-CG 3.7Å; E178-E181 WeakPolarHBondContact O-CB 3.49Å; E178-E181 PolarHBondContact O-N 2.71Å; P179-E181 VanDerWaalsContact C-N 3.28Å; P179-E181 PolarHBondContact O-N 3.29Å
182N96.7Very high96.8Very high0 Ų015.5 Ų15.50%08%0.082CC..G310 helixtrans-117.539.3172.2-162.221.4000111.6N10 T123 Q124 N144 L145 P179 F180 D184 E185 M186N10-N182 PolarHBondContact ND2-OD1 3.04Å; T123-N182 PolarHBondContact O-ND2 3Å; Q124-N182 HydrophobicContact CG-CB 4.32Å; N144-N182 HydrophobicContact CB-CB 4.36Å; N144-N182 WeakPolarHBondContact CB-OD1 3.26Å; L145-N182 PolarHBondContact N-ND2 3.15Å; L145-N182 PolarHBondContact O-ND2 3.04Å; P179-N182 CarbonylContact O-C 3.59Å; P179-N182 WeakPolarHBondContact O-CA 3.23Å; P179-N182 PolarHBondContact O-N 3.46Å; F180-N182 VanDerWaalsContact C-N 3.31Å; N182-D184 PolarHBondContact O-N 3.23Å; N182-E185 PolarHBondContact O-N 2.79Å; N182-E185 WeakPolarHBondContact OD1-CB 3.41Å; N182-E185 WeakPolarHBondContact OD1-CG 3.26Å; N182-M186 WeakPolarHBondContact O-CB 3.38Å; N182-M186 PolarHBondContact O-N 3.46Å
183Y96.6Very high96.8Very high10 Ų1014.5 Ų14.54%0.0398%0.075CC..Hα-helixtrans-52.5-52.1-167-171.2-91.2000113.9P179 F180 E185 M186 M187 R216 D219 F220 E223P179-Y183 PolarHBondContact O-N 3.24Å; F180-Y183 HydrophobicContact CD1-CD2 4.1Å; F180-Y183 HydrophobicContact CD1-CE2 4.47Å; F180-Y183 HydrophobicContact CE1-CE2 4.45Å; Y183-E185 PolarHBondContact O-N 3.38Å; Y183-M186 HydrophobicContact CD2-CE 3.93Å; Y183-M186 HydrophobicContact CE2-CE 4.11Å; Y183-M186 WeakPolarHBondContact O-CB 3.36Å; Y183-M186 PolarHBondContact O-N 3.37Å; Y183-M187 HydrophobicContact CD1-CG 3.94Å; Y183-M187 HydrophobicContact CE1-CG 3.54Å; Y183-M187 HydrophobicContact CE1-SD 4.49Å; Y183-M187 HydrophobicContact CE2-CG 4.35Å; Y183-M187 HydrophobicContact CG-CG 4.48Å; Y183-M187 WeakPolarHBondContact O-CG 3.3Å; Y183-M187 PolarHBondContact O-N 2.83Å; Y183-R216 HydrophobicContact CD2-CB 4.03Å; Y183-R216 HydrophobicContact CD2-CG 4.14Å; Y183-R216 HydrophobicContact CE2-CB 4.32Å; Y183-D219 HydrophobicContact CE1-CB 4.29Å; Y183-D219 HydrophobicContact CE2-CB 4.19Å; Y183-D219 VanDerWaalsContact OH-C 3.28Å; Y183-D219 PolarHBondContact OH-O 3.47Å; Y183-F220 HydrophobicContact CE2-CB 4.18Å; Y183-F220 HydrophobicContact CE2-CD2 4.44Å; Y183-F220 WeakPolarHBondContact OH-CA 3.26Å; Y183-F220 PolarHBondContact OH-N 3.3Å; Y183-E223 WeakPolarHBondContact CE1-OE1 3.26Å; Y183-E223 WeakPolarHBondContact OH-CG 3.44Å; Y183-E223 PolarHBondContact OH-OE1 3.41Å
184D94.9Very high96.7Very high49 Ų4916.8 Ų16.826%0.2629%0.088SC..Hα-helixtrans-65.7-39.9-174-57.2-16.9000112.3N182 M187 D188N182-D184 PolarHBondContact O-N 3.23Å; D184-M187 PolarHBondContact O-N 3.09Å; D184-D188 PolarHBondContact O-N 3.05Å
185E96.3Very high96.8Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-71.8-36.4176-59.7-61152.400111.8K6 L13 L145 A147 N182 Y183 D188 F189K6-E185 WeakPolarHBondContact CD-OE1 3.31Å; K6-E185 WeakPolarHBondContact CE-OE1 3.4Å; K6-E185 IonicContact NZ-OE1 2.67Å; K6-E185 PolarHBondContact NZ-OE1 3.38Å; K6-E185 IonicContact NZ-OE2 2.87Å; K6-E185 PolarHBondContact NZ-OE2 2.83Å; L13-E185 HydrophobicContact CD2-CG 3.69Å; L145-E185 WeakPolarHBondContact O-CB 3.46Å; L145-E185 WeakPolarHBondContact O-CG 3.49Å; A147-E185 WeakPolarHBondContact CB-O 3.44Å; A147-E185 WeakPolarHBondContact CB-OE2 3.47Å; A147-E185 PolarHBondContact N-OE2 2.73Å; N182-E185 PolarHBondContact O-N 2.79Å; N182-E185 WeakPolarHBondContact OD1-CB 3.41Å; N182-E185 WeakPolarHBondContact OD1-CG 3.26Å; Y183-E185 PolarHBondContact O-N 3.38Å; E185-D188 PolarHBondContact O-N 3.02Å; E185-F189 WeakPolarHBondContact O-CB 3.34Å; E185-F189 PolarHBondContact O-N 3.39Å
186M97.5Very high96.9Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-61.3-46.3172.6178.3-159.970.700110.6I173 P179 F180 N182 Y183 F189 L190 V208I173-M186 HydrophobicContact CD1-CG 3.88Å; P179-M186 HydrophobicContact CB-CG 4.35Å; P179-M186 HydrophobicContact CB-SD 3.41Å; P179-M186 WeakPolarHBondContact CB-SD 3.43Å; F180-M186 HydrophobicContact CD1-CE 3.95Å; F180-M186 HydrophobicContact CD1-SD 4.15Å; F180-M186 HydrophobicContact CE1-CE 3.94Å; F180-M186 HydrophobicContact CE1-SD 4.33Å; N182-M186 WeakPolarHBondContact O-CB 3.38Å; N182-M186 PolarHBondContact O-N 3.46Å; Y183-M186 HydrophobicContact CD2-CE 3.93Å; Y183-M186 HydrophobicContact CE2-CE 4.11Å; Y183-M186 WeakPolarHBondContact O-CB 3.36Å; Y183-M186 PolarHBondContact O-N 3.37Å; M186-F189 WeakPolarHBondContact O-CB 3.44Å; M186-F189 PolarHBondContact O-N 2.83Å; M186-L190 HydrophobicContact CE-CD1 4.22Å; M186-L190 HydrophobicContact CG-CD1 4.05Å; M186-L190 HydrophobicContact CG-CG 4.46Å; M186-L190 WeakPolarHBondContact O-CB 3.2Å; M186-L190 WeakPolarHBondContact O-CG 3.38Å; M186-L190 PolarHBondContact O-N 3.5Å; M186-L190 HydrophobicContact SD-CD1 4.5Å; M186-V208 HydrophobicContact CE-CG1 4.31Å; M186-V208 HydrophobicContact SD-CG1 3.67Å; M186-V208 HydrophobicContact SD-CG2 4.43Å
187M97.4Very high97Very high8 Ų824 Ų244%0.03912%0.123CC..Hα-helixtrans-65.5-40.3179.4-71.3-51.8-55.500112.3Y183 D184 L190 R191 F220 E223 I225Y183-M187 HydrophobicContact CD1-CG 3.94Å; Y183-M187 HydrophobicContact CE1-CG 3.54Å; Y183-M187 HydrophobicContact CE1-SD 4.49Å; Y183-M187 HydrophobicContact CE2-CG 4.35Å; Y183-M187 HydrophobicContact CG-CG 4.48Å; Y183-M187 WeakPolarHBondContact O-CG 3.3Å; Y183-M187 PolarHBondContact O-N 2.83Å; D184-M187 PolarHBondContact O-N 3.09Å; M187-L190 HydrophobicContact CE-CD1 4.41Å; M187-L190 PolarHBondContact O-N 2.92Å; M187-L190 HydrophobicContact SD-CD1 3.78Å; M187-R191 WeakPolarHBondContact O-CG 3.27Å; M187-R191 PolarHBondContact O-N 2.83Å; M187-F220 HydrophobicContact SD-CD2 3.97Å; M187-F220 HydrophobicContact SD-CE2 4.01Å; M187-E223 HydrophobicContact CE-CB 4.02Å; M187-E223 VanDerWaalsContact CE-CD 3.43Å; M187-E223 HydrophobicContact CE-CG 3.56Å; M187-E223 WeakPolarHBondContact CE-OE2 3.44Å; M187-E223 HydrophobicContact SD-CG 4.19Å; M187-I225 HydrophobicContact CE-CD1 3.6Å
188D96.3Very high97.1Very high21 Ų2123.6 Ų23.611%0.11212%0.118CC..Hα-helixtrans-62-46.8172.7-79.3-18000111.1K6 R25 A147 D184 E185 L190 R191 I192K6-D188 IonicContact NZ-OD2 3.05Å; K6-D188 PolarHBondContact NZ-OD2 2.98Å; R25-D188 WeakPolarHBondContact CD-OD1 3.29Å; R25-D188 IonicContact NE-OD1 3.78Å; A147-D188 HydrophobicContact CB-CB 3.72Å; D184-D188 PolarHBondContact O-N 3.05Å; E185-D188 PolarHBondContact O-N 3.02Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.35Å; D188-R191 PolarHBondContact O-N 2.93Å; D188-I192 WeakPolarHBondContact O-CB 3.36Å; D188-I192 WeakPolarHBondContact O-CD1 3.47Å; D188-I192 WeakPolarHBondContact O-CG1 3.49Å; D188-I192 PolarHBondContact O-N 2.6Å
189F98Very high97Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-53.8-48.9173.7160-103000111.9V121 A147 I150 V151 V154 I171 I173 E185 M186 R191 I192 V193V121-F189 HydrophobicContact CG1-CZ 4.46Å; V121-F189 HydrophobicContact CG2-CE1 4.11Å; V121-F189 HydrophobicContact CG2-CZ 4Å; A147-F189 HydrophobicContact CB-CB 4.36Å; I150-F189 HydrophobicContact CB-CB 4.21Å; I150-F189 HydrophobicContact CB-CD2 3.72Å; I150-F189 HydrophobicContact CB-CE2 4.23Å; I150-F189 HydrophobicContact CB-CG 3.94Å; I150-F189 HydrophobicContact CD1-CB 4.29Å; I150-F189 HydrophobicContact CG2-CB 4.31Å; I150-F189 HydrophobicContact CG2-CD1 3.84Å; I150-F189 HydrophobicContact CG2-CD2 3.43Å; I150-F189 VanDerWaalsContact CG2-CD2 3.43Å; I150-F189 HydrophobicContact CG2-CE1 3.94Å; I150-F189 HydrophobicContact CG2-CE2 3.54Å; I150-F189 HydrophobicContact CG2-CG 3.57Å; I150-F189 HydrophobicContact CG2-CZ 3.78Å; V151-F189 HydrophobicContact CB-CD2 4.47Å; V151-F189 HydrophobicContact CG2-CD2 3.71Å; V151-F189 HydrophobicContact CG2-CE2 4.4Å; V154-F189 HydrophobicContact CG2-CE2 3.93Å; V154-F189 HydrophobicContact CG2-CZ 4.11Å; I171-F189 HydrophobicContact CD1-CZ 4.05Å; I171-F189 HydrophobicContact CG2-CE1 4.12Å; I171-F189 HydrophobicContact CG2-CZ 3.89Å; I173-F189 HydrophobicContact CD1-CD1 3.89Å; I173-F189 HydrophobicContact CD1-CE1 3.65Å; I173-F189 HydrophobicContact CG1-CE1 4.18Å; E185-F189 WeakPolarHBondContact O-CB 3.34Å; E185-F189 PolarHBondContact O-N 3.39Å; M186-F189 WeakPolarHBondContact O-CB 3.44Å; M186-F189 PolarHBondContact O-N 2.83Å; F189-R191 PolarHBondContact O-N 3.5Å; F189-I192 PolarHBondContact O-N 3.05Å; F189-V193 HydrophobicContact CD2-CG1 3.76Å; F189-V193 HydrophobicContact CE1-CG2 4.48Å; F189-V193 HydrophobicContact CE2-CG1 3.39Å; F189-V193 HydrophobicContact CE2-CG2 4.4Å; F189-V193 HydrophobicContact CZ-CG1 4.01Å; F189-V193 HydrophobicContact CZ-CG2 4.25Å; F189-V193 WeakPolarHBondContact O-CG2 2.89Å; F189-V193 PolarHBondContact O-N 2.97Å
190L98.3Very high97Very high1 Ų127.9 Ų27.91%0.00514%0.141CC..Hα-helixtrans-59.5-46-179.2-74.3170000111.9I173 M186 M187 D188 I192 N194 I206 V208 F220 I227I173-L190 HydrophobicContact CD1-CD2 3.72Å; I173-L190 HydrophobicContact CD1-CG 4.17Å; M186-L190 HydrophobicContact CE-CD1 4.22Å; M186-L190 HydrophobicContact CG-CD1 4.05Å; M186-L190 HydrophobicContact CG-CG 4.46Å; M186-L190 WeakPolarHBondContact O-CB 3.2Å; M186-L190 WeakPolarHBondContact O-CG 3.38Å; M186-L190 PolarHBondContact O-N 3.5Å; M186-L190 HydrophobicContact SD-CD1 4.5Å; M187-L190 HydrophobicContact CE-CD1 4.41Å; M187-L190 PolarHBondContact O-N 2.92Å; M187-L190 HydrophobicContact SD-CD1 3.78Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.35Å; L190-I192 VanDerWaalsContact C-N 3.35Å; L190-N194 WeakPolarHBondContact O-CB 3.36Å; L190-N194 PolarHBondContact O-N 3.06Å; L190-N194 VanDerWaalsContact O-N 3.11Å; L190-I206 HydrophobicContact CD2-CG2 3.46Å; L190-I206 VanDerWaalsContact CD2-CG2 3.46Å; L190-V208 HydrophobicContact CD1-CG2 3.68Å; L190-V208 HydrophobicContact CD2-CG2 4.01Å; L190-V208 HydrophobicContact CG-CG2 4.43Å; L190-F220 HydrophobicContact CD1-CE2 4.44Å; L190-I227 HydrophobicContact CB-CD1 3.95Å; L190-I227 HydrophobicContact CD1-CD1 3.79Å; L190-I227 HydrophobicContact CD2-CD1 3.68Å; L190-I227 HydrophobicContact CG-CD1 4Å
191R97.4Very high97Very high86 Ų8627.9 Ų27.933%0.32514%0.141SC..Hα-helixtrans-66.6-38.8177.7-68.3176.9-174.5-72.31.2111.2R25 M187 D188 F189 D195 E223 I225R25-R191 HydrophobicContact CG-CB 4.48Å; M187-R191 WeakPolarHBondContact O-CG 3.27Å; M187-R191 PolarHBondContact O-N 2.83Å; D188-R191 PolarHBondContact O-N 2.93Å; F189-R191 PolarHBondContact O-N 3.5Å; R191-D195 PolarHBondContact O-N 3.47Å; R191-E223 IonicContact CZ-OE2 2.62Å; R191-E223 IonicContact NH2-OE2 3.71Å; R191-E223 PolarHBondContact NH2-OE2 3.45Å; R191-I225 HydrophobicContact CG-CD1 4.4Å
192I97.8Very high97Very high2 Ų227.4 Ų27.41%0.0115%0.147CC..Hα-helixtrans-63.6-53.4177.4-69.6162.5000110.4Y22 R25 Y51 A147 V151 D188 F189 L190 N194 D195 S198Y22-I192 WeakPolarHBondContact O-CD1 3.45Å; R25-I192 HydrophobicContact CG-CD1 4.44Å; R25-I192 HydrophobicContact CG-CG1 4.01Å; Y51-I192 HydrophobicContact CE1-CG2 3.98Å; Y51-I192 VanDerWaalsContact OH-CG2 3.31Å; Y51-I192 WeakPolarHBondContact OH-CG2 3.41Å; A147-I192 HydrophobicContact CB-CD1 4.42Å; V151-I192 HydrophobicContact CG2-CB 4.24Å; V151-I192 HydrophobicContact CG2-CD1 4.49Å; V151-I192 HydrophobicContact CG2-CG2 3.75Å; D188-I192 WeakPolarHBondContact O-CB 3.36Å; D188-I192 WeakPolarHBondContact O-CD1 3.47Å; D188-I192 WeakPolarHBondContact O-CG1 3.49Å; D188-I192 PolarHBondContact O-N 2.6Å; F189-I192 PolarHBondContact O-N 3.05Å; L190-I192 VanDerWaalsContact C-N 3.35Å; I192-N194 VanDerWaalsContact C-N 3.27Å; I192-N194 PolarHBondContact O-N 2.76Å; I192-D195 PolarHBondContact O-N 2.91Å; I192-S198 VanDerWaalsContact O-CB 3.23Å; I192-S198 WeakPolarHBondContact O-CB 3.35Å; I192-S198 PolarHBondContact O-OG 3.08Å
193V97.9Very high97Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-72-20.5-176-57.50000113.9V151 I171 F189 L199 N200 I201 I206V151-V193 HydrophobicContact CG2-CG1 4.31Å; I171-V193 HydrophobicContact CD1-CB 4.05Å; I171-V193 HydrophobicContact CD1-CG1 4.26Å; I171-V193 HydrophobicContact CD1-CG2 3.8Å; F189-V193 HydrophobicContact CD2-CG1 3.76Å; F189-V193 HydrophobicContact CE1-CG2 4.48Å; F189-V193 HydrophobicContact CE2-CG1 3.39Å; F189-V193 HydrophobicContact CE2-CG2 4.4Å; F189-V193 HydrophobicContact CZ-CG1 4.01Å; F189-V193 HydrophobicContact CZ-CG2 4.25Å; F189-V193 WeakPolarHBondContact O-CG2 2.89Å; F189-V193 PolarHBondContact O-N 2.97Å; V193-L199 HydrophobicContact CB-CD1 4.3Å; V193-L199 HydrophobicContact CG1-CD1 3.98Å; V193-N200 PolarHBondContact O-N 2.75Å; V193-I201 PolarHBondContact O-N 3.37Å; V193-I206 HydrophobicContact CG2-CD1 3.8Å
194N97.6Very high97.1Very high50 Ų5034.7 Ų34.727%0.26718%0.177SC..Hα-helixtrans-84.6-19.5177.1-179.9-125.9000113.9L190 I192 I201 A203 I206L190-N194 WeakPolarHBondContact O-CB 3.36Å; L190-N194 PolarHBondContact O-N 3.06Å; L190-N194 VanDerWaalsContact O-N 3.11Å; I192-N194 VanDerWaalsContact C-N 3.27Å; I192-N194 PolarHBondContact O-N 2.76Å; N194-I201 WeakPolarHBondContact CA-O 3.5Å; N194-I201 PolarHBondContact ND2-O 3.34Å; N194-A203 PolarHBondContact ND2-N 3.02Å; N194-A203 VanDerWaalsContact ND2-N 3.11Å; N194-I206 HydrophobicContact CB-CD1 4.34Å
195D97.1Very high97.2Very high46 Ų4636.4 Ų36.425%0.24618%0.184CC..SBendtrans-63.3141.9-178.3-164.2-78.3000113R191 I192 N197 S198 N200R191-D195 PolarHBondContact O-N 3.47Å; I192-D195 PolarHBondContact O-N 2.91Å; D195-N197 PolarHBondContact O-N 3.42Å; D195-N197 VanDerWaalsContact OD1-CB 3.27Å; D195-N197 WeakPolarHBondContact OD1-CB 3.3Å; D195-N197 PolarHBondContact OD1-N 3.05Å; D195-N197 PolarHBondContact OD1-ND2 2.68Å; D195-S198 PolarHBondContact O-N 2.81Å; D195-S198 PolarHBondContact O-OG 3.04Å; D195-N200 WeakPolarHBondContact O-CA 3.31Å; D195-N200 PolarHBondContact O-N 2.93Å
196D96.7Very high97.3Very high123 Ų12336.4 Ų36.466%0.65818%0.184SC*.THydrogen-bonded Turntrans-64.1-24.8179.2-72.5-26.2000113.1S198 N200D196-S198 VanDerWaalsContact C-N 3.34Å; D196-N200 PolarHBondContact OD1-OD1 3.2Å
197N97.1Very high97.3Very high38 Ų3837.5 Ų37.520%0.20319%0.19CC..THydrogen-bonded Turntrans-87.1-3.4-179.8-56.5-82.9000113F26 F47 D195F26-N197 HydrophobicContact CD2-CB 4.02Å; F26-N197 HydrophobicContact CE2-CB 4.06Å; F26-N197 HydrophobicContact CG-CB 4.45Å; F47-N197 HydrophobicContact CB-CB 4.48Å; F47-N197 HydrophobicContact CD1-CB 4.1Å; D195-N197 PolarHBondContact O-N 3.42Å; D195-N197 VanDerWaalsContact OD1-CB 3.27Å; D195-N197 WeakPolarHBondContact OD1-CB 3.3Å; D195-N197 PolarHBondContact OD1-N 3.05Å; D195-N197 PolarHBondContact OD1-ND2 2.68Å
198S96.6Very high97.4Very high8 Ų837.1 Ų37.16%0.05619%0.188CC..THydrogen-bonded Turntrans-112-119.3-176.268.20000112Y51 I192 D195 D196Y51-S198 WeakPolarHBondContact CB-O 3.31Å; I192-S198 VanDerWaalsContact O-CB 3.23Å; I192-S198 WeakPolarHBondContact O-CB 3.35Å; I192-S198 PolarHBondContact O-OG 3.08Å; D195-S198 PolarHBondContact O-N 2.81Å; D195-S198 PolarHBondContact O-OG 3.04Å; D196-S198 VanDerWaalsContact C-N 3.34Å
199L95.5Very high97.5Very high23 Ų2336.6 Ų36.612%0.1219%0.186CC..THydrogen-bonded Turntrans-81.9-16.7174.6-71.1175.5000113Y51 V154 L155 V193 I201Y51-L199 HydrophobicContact CD1-CG 4.28Å; V154-L199 HydrophobicContact CB-CD1 4.08Å; V154-L199 HydrophobicContact CG1-CD1 3.53Å; L155-L199 HydrophobicContact CD2-CD1 4.46Å; L155-L199 HydrophobicContact CD2-CD2 3.86Å; L155-L199 HydrophobicContact CD2-CG 4.37Å; V193-L199 HydrophobicContact CB-CD1 4.3Å; V193-L199 HydrophobicContact CG1-CD1 3.98Å; L199-I201 VanDerWaalsContact C-N 3.32Å; L199-I201 HydrophobicContact CB-CD1 4.1Å; L199-I201 HydrophobicContact CB-CG1 4.14Å; L199-I201 HydrophobicContact CD1-CD1 4.34Å; L199-I201 PolarHBondContact O-N 2.87Å
200N96.7Very high97.5Very high77 Ų7736.7 Ų36.741%0.41219%0.187SC..  trans4853.7178.8-170.1-0.7000112.4R167 V193 D195 D196R167-N200 PolarHBondContact NH2-O 3.33Å; V193-N200 PolarHBondContact O-N 2.75Å; D195-N200 WeakPolarHBondContact O-CA 3.31Å; D195-N200 PolarHBondContact O-N 2.93Å; D196-N200 PolarHBondContact OD1-OD1 3.2Å
201I97.6Very high97.4Very high2 Ų237 Ų371%0.0119%0.189CC..  trans-94.2112.4173.4-63170.4000107.3V168 I171 V193 N194 L199 A203 H205 I206V168-I201 HydrophobicContact CG1-CD1 4.12Å; I171-I201 HydrophobicContact CD1-CD1 3.46Å; I171-I201 VanDerWaalsContact CD1-CD1 3.46Å; I171-I201 HydrophobicContact CG1-CD1 3.98Å; V193-I201 PolarHBondContact O-N 3.37Å; N194-I201 WeakPolarHBondContact CA-O 3.5Å; N194-I201 PolarHBondContact ND2-O 3.34Å; L199-I201 VanDerWaalsContact C-N 3.32Å; L199-I201 HydrophobicContact CB-CD1 4.1Å; L199-I201 HydrophobicContact CB-CG1 4.14Å; L199-I201 HydrophobicContact CD1-CD1 4.34Å; L199-I201 PolarHBondContact O-N 2.87Å; I201-A203 PolarHBondContact O-N 3.17Å; I201-H205 HydrophobicContact CG2-CB 4.15Å; I201-I206 HydrophobicContact CG2-CD1 4.19Å; I201-I206 HydrophobicContact CG2-CG1 3.79Å
202G97.3Very high97.4Very high31 Ų3132.9 Ų32.932%0.3217%0.173SC..  trans-57.4136.2-178.900000111.8R204 H205G202-R204 PolarHBondContact O-N 3.03Å; G202-H205 WeakPolarHBondContact O-CB 3.42Å; G202-H205 PolarHBondContact O-N 2.62Å
203A97.3Very high97.4Very high13 Ų1333.5 Ų33.511%0.10718%0.176CC..G310 helixtrans-50-35.3-173.400000114.3N194 I201 H205 I206 I225 Q226 I227N194-A203 PolarHBondContact ND2-N 3.02Å; N194-A203 VanDerWaalsContact ND2-N 3.11Å; I201-A203 PolarHBondContact O-N 3.17Å; A203-H205 PolarHBondContact O-N 3.4Å; A203-I206 PolarHBondContact O-N 3.04Å; A203-I225 HydrophobicContact CB-CG2 4.2Å; A203-Q226 CarbonylContact C-O 3.55Å; A203-Q226 HydrophobicContact CB-CB 4.15Å; A203-I227 HydrophobicContact CB-CG1 4.07Å; A203-I227 WeakPolarHBondContact O-CA 3.24Å
204R97Very high97.4Very high151 Ų15134.1 Ų34.157%0.5718%0.18SC*.G310 helixtrans-70.6-8.9178.8-60.4-175.8-174-172.40.6114.6G202 Q226 N228G202-R204 PolarHBondContact O-N 3.03Å; R204-Q226 HydrophobicContact CG-CB 4.35Å; R204-Q226 PolarHBondContact N-O 2.96Å; R204-N228 PolarHBondContact O-ND2 2.76Å
205H97.9Very high97.5Very high85 Ų8534.5 Ų34.539%0.39419%0.185SC..G310 helixtrans-99.76.6173.1-59.1-65.5000112.3S169 Q170 I171 I201 G202 A203S169-H205 VanDerWaalsContact O-CB 3.31Å; S169-H205 WeakPolarHBondContact O-CB 3.47Å; Q170-H205 CarbonylContact C-O 3.52Å; Q170-H205 WeakPolarHBondContact CA-O 3.46Å; Q170-H205 HydrophobicContact CB-CB 4.48Å; Q170-H205 WeakPolarHBondContact CB-O 3.28Å; Q170-H205 HydrophobicContact CG-CB 4.04Å; Q170-H205 PolarHBondContact NE2-ND1 3.29Å; I171-H205 PolarHBondContact N-O 3.36Å; I201-H205 HydrophobicContact CG2-CB 4.15Å; G202-H205 WeakPolarHBondContact O-CB 3.42Å; G202-H205 PolarHBondContact O-N 2.62Å; A203-H205 PolarHBondContact O-N 3.4Å
206I98.4Very high97.5Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-112.7133176.2-51.3172000108.3I171 L190 V193 N194 I201 A203 I227 N228I171-I206 HydrophobicContact CB-CG1 4.4Å; I171-I206 HydrophobicContact CB-CG2 4.2Å; I171-I206 HydrophobicContact CG2-CG2 4.27Å; I171-I206 CarbonylContact O-C 3.5Å; I171-I206 VanDerWaalsContact O-CA 3.3Å; I171-I206 WeakPolarHBondContact O-CA 3.2Å; L190-I206 HydrophobicContact CD2-CG2 3.46Å; L190-I206 VanDerWaalsContact CD2-CG2 3.46Å; V193-I206 HydrophobicContact CG2-CD1 3.8Å; N194-I206 HydrophobicContact CB-CD1 4.34Å; I201-I206 HydrophobicContact CG2-CD1 4.19Å; I201-I206 HydrophobicContact CG2-CG1 3.79Å; A203-I206 PolarHBondContact O-N 3.04Å; I206-I227 HydrophobicContact CB-CG1 4.39Å; I206-I227 HydrophobicContact CG2-CG2 4.45Å; I206-N228 WeakPolarHBondContact O-CB 3.23Å; I206-N228 PolarHBondContact O-N 2.75Å
207T98.4Very high97.6Very high23 Ų2330.2 Ų30.214%0.14116%0.156CC..EExtended strand (participates in β ladder)trans-121.7122.1176.1-53.50000110.5I171 I173 N228 A230I171-T207 PolarHBondContact O-N 3.2Å; I173-T207 PolarHBondContact N-O 3.39Å; T207-N228 CarbonylContact C-O 3.55Å; T207-N228 WeakPolarHBondContact CA-O 3.4Å; T207-N228 HydrophobicContact CG2-CB 4.17Å; T207-A230 HydrophobicContact CG2-CB 3.96Å
208V98.5Very high97.7Very high0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-98132.2172.5175.30000108.5I173 F180 M186 L190 F220 I227 N228 A230I173-V208 HydrophobicContact CD1-CG2 3.88Å; I173-V208 HydrophobicContact CG1-CG2 4.4Å; F180-V208 HydrophobicContact CD1-CG1 4.45Å; F180-V208 HydrophobicContact CE1-CG1 3.73Å; F180-V208 HydrophobicContact CZ-CG1 4.49Å; M186-V208 HydrophobicContact CE-CG1 4.31Å; M186-V208 HydrophobicContact SD-CG1 3.67Å; M186-V208 HydrophobicContact SD-CG2 4.43Å; L190-V208 HydrophobicContact CD1-CG2 3.68Å; L190-V208 HydrophobicContact CD2-CG2 4.01Å; L190-V208 HydrophobicContact CG-CG2 4.43Å; V208-F220 HydrophobicContact CB-CZ 4.04Å; V208-F220 HydrophobicContact CG1-CZ 4.39Å; V208-F220 HydrophobicContact CG2-CE2 4.3Å; V208-F220 HydrophobicContact CG2-CZ 4.03Å; V208-I227 HydrophobicContact CB-CG2 4.25Å; V208-I227 HydrophobicContact CG2-CG2 3.63Å; V208-N228 PolarHBondContact N-O 3.38Å; V208-A230 PolarHBondContact O-N 2.95Å
209S97.6Very high97.7Very high10 Ų1034.9 Ų34.97%0.0718%0.175CC..EExtended strand (participates in β ladder)trans-112.3153.4173.576.50000112.1I173 P179 A230I173-S209 PolarHBondContact O-N 2.79Å; I173-S209 PolarHBondContact O-OG 2.8Å; P179-S209 WeakPolarHBondContact CD-O 3.37Å; P179-S209 VanDerWaalsContact CG-O 3.27Å; P179-S209 WeakPolarHBondContact CG-O 3.42Å; S209-A230 CarbonylContact C-O 3.59Å; S209-A230 VanDerWaalsContact CA-O 3.26Å; S209-A230 WeakPolarHBondContact CA-O 3.47Å
210T98.3Very high97.8Very high1 Ų134.2 Ų34.21%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-140150.1169.3-175.60000111E178 F180 G212 I213 I217 F229 A230 V231 S232E178-T210 VanDerWaalsContact OE1-CA 3.31Å; E178-T210 WeakPolarHBondContact OE1-CA 3.21Å; E178-T210 VanDerWaalsContact OE1-CB 3.29Å; E178-T210 WeakPolarHBondContact OE1-CB 3.17Å; E178-T210 PolarHBondContact OE1-OG1 3.1Å; F180-T210 VanDerWaalsContact CD2-CB 3.5Å; F180-T210 HydrophobicContact CD2-CG2 3.91Å; F180-T210 VanDerWaalsContact CD2-OG1 3.27Å; F180-T210 WeakPolarHBondContact CD2-OG1 3.46Å; F180-T210 HydrophobicContact CE2-CG2 3.67Å; F180-T210 HydrophobicContact CZ-CG2 4.31Å; T210-G212 PolarHBondContact O-N 3.06Å; T210-G212 PolarHBondContact OG1-N 3.06Å; T210-G212 VanDerWaalsContact OG1-N 3.08Å; T210-I213 PolarHBondContact OG1-N 2.93Å; T210-I217 HydrophobicContact CG2-CG1 4.47Å; T210-F229 HydrophobicContact CG2-CE2 3.64Å; T210-F229 HydrophobicContact CG2-CZ 3.64Å; T210-A230 PolarHBondContact N-O 3.44Å; T210-A230 VanDerWaalsContact N-O 3.09Å; T210-V231 HydrophobicContact CG2-CG2 4.25Å; T210-S232 PolarHBondContact O-N 2.8Å
211S96.9Very high97.9Very high7 Ų730.8 Ų30.85%0.04915%0.154CC..SBendtrans-74.2-1.8165.964.90000113.9E178 R241 M245 I247E178-S211 WeakPolarHBondContact OE2-CA 3.07Å; E178-S211 WeakPolarHBondContact OE2-CB 3.42Å; E178-S211 PolarHBondContact OE2-N 3.03Å; E178-S211 PolarHBondContact OE2-OG 3.31Å; S211-R241 PolarHBondContact O-NH2 3.12Å; S211-M245 VanDerWaalsContact CB-CE 3.45Å; S211-I247 WeakPolarHBondContact O-CG2 3.36Å
212G97.5Very high97.9Very high0 Ų035 Ų350%018%0.176CC..  trans107.541.9174.700000113.8T210 I214 Y251T210-G212 PolarHBondContact O-N 3.06Å; T210-G212 PolarHBondContact OG1-N 3.06Å; T210-G212 VanDerWaalsContact OG1-N 3.08Å; G212-I214 VanDerWaalsContact C-N 3.32Å; G212-I214 PolarHBondContact O-N 3.36Å; G212-Y251 WeakPolarHBondContact O-CB 3.32Å; G212-Y251 WeakPolarHBondContact O-CD2 3.46Å
213I97.8Very high97.8Very high15 Ų1536 Ų368%0.07717%0.173CC..  trans-73.386.8172.4-52.4-60.1000109.1I129 E178 F180 T210 R216 I217 I247 Y251I129-I213 HydrophobicContact CD1-CD1 4.16Å; E178-I213 HydrophobicContact CG-CD1 4.37Å; E178-I213 HydrophobicContact CG-CG1 3.8Å; F180-I213 HydrophobicContact CB-CB 3.89Å; F180-I213 HydrophobicContact CB-CG1 4.02Å; F180-I213 HydrophobicContact CB-CG2 4.44Å; F180-I213 HydrophobicContact CD2-CB 4.19Å; T210-I213 PolarHBondContact OG1-N 2.93Å; I213-R216 HydrophobicContact CB-CB 4.44Å; I213-R216 HydrophobicContact CG2-CB 4.15Å; I213-R216 HydrophobicContact CG2-CG 3.86Å; I213-R216 PolarHBondContact O-N 3Å; I213-I217 PolarHBondContact O-N 2.82Å; I213-I247 HydrophobicContact CD1-CD1 3.6Å; I213-I247 HydrophobicContact CD1-CG1 3.87Å; I213-Y251 HydrophobicContact CB-CE2 4.45Å; I213-Y251 HydrophobicContact CD1-CD2 4.39Å; I213-Y251 HydrophobicContact CD1-CE2 4.03Å; I213-Y251 HydrophobicContact CG2-CE2 4.17Å
214I98.4Very high97.4Very high13 Ų1342.9 Ų42.97%0.06721%0.208CC..Hα-helixtrans-50.9-48.5-169.4-73.8174.1000114.2G212 R216 I217 Y218 Y251 K255 L256 A259G212-I214 VanDerWaalsContact C-N 3.32Å; G212-I214 PolarHBondContact O-N 3.36Å; I214-R216 PolarHBondContact O-N 3.35Å; I214-R216 VanDerWaalsContact O-N 3.15Å; I214-I217 HydrophobicContact CG1-CD1 4.44Å; I214-I217 WeakPolarHBondContact O-CB 3.19Å; I214-I217 PolarHBondContact O-N 3.49Å; I214-Y218 HydrophobicContact CG2-CD2 4.14Å; I214-Y218 HydrophobicContact CG2-CE2 3.41Å; I214-Y218 VanDerWaalsContact CG2-CE2 3.41Å; I214-Y218 VanDerWaalsContact O-CD2 3.31Å; I214-Y218 WeakPolarHBondContact O-CD2 3.01Å; I214-Y218 PolarHBondContact O-N 2.82Å; I214-Y251 HydrophobicContact CB-CD1 3.74Å; I214-Y251 HydrophobicContact CB-CE1 4.12Å; I214-Y251 HydrophobicContact CB-CG 4.1Å; I214-Y251 HydrophobicContact CD1-CD1 3.8Å; I214-Y251 HydrophobicContact CD1-CG 3.96Å; I214-Y251 HydrophobicContact CG1-CD1 3.96Å; I214-Y251 HydrophobicContact CG1-CG 3.95Å; I214-K255 VanDerWaalsContact CD1-C 3.47Å; I214-K255 HydrophobicContact CD1-CB 3.57Å; I214-L256 HydrophobicContact CD1-CB 4.29Å; I214-L256 HydrophobicContact CG1-CD1 4.27Å; I214-A259 HydrophobicContact CB-CB 4.5Å; I214-A259 HydrophobicContact CG1-CB 4.26Å; I214-A259 HydrophobicContact CG2-CB 3.9Å
215P98.2Very high97.1Very high59 Ų5937.2 Ų37.238%0.38319%0.188SC..Hα-helixtrans-54.3-38.2178.8-28.936.8000113.3Y218 D219 Y251P215-Y218 PolarHBondContact O-N 2.96Å; P215-D219 PolarHBondContact O-N 3.08Å; P215-Y251 VanDerWaalsContact CD-CZ 3.48Å; P215-Y251 WeakPolarHBondContact CD-OH 3.43Å; P215-Y251 HydrophobicContact CG-CE1 4.17Å
216R98Very high97Very high79 Ų7937.9 Ų37.930%0.29819%0.191SC..Hα-helixtrans-78.4-17.2178.9-63.8-51.7-162.9172.27.5113.7F180 Y183 I213 I214 Y218 D219 F220F180-R216 HydrophobicContact CB-CB 3.69Å; F180-R216 HydrophobicContact CB-CG 3.98Å; F180-R216 HydrophobicContact CD1-CB 4.46Å; F180-R216 HydrophobicContact CD2-CB 3.43Å; F180-R216 VanDerWaalsContact CD2-CB 3.43Å; F180-R216 HydrophobicContact CE2-CB 4.08Å; F180-R216 HydrophobicContact CG-CB 3.64Å; F180-R216 HydrophobicContact CG-CG 4.44Å; Y183-R216 HydrophobicContact CD2-CB 4.03Å; Y183-R216 HydrophobicContact CD2-CG 4.14Å; Y183-R216 HydrophobicContact CE2-CB 4.32Å; I213-R216 HydrophobicContact CB-CB 4.44Å; I213-R216 HydrophobicContact CG2-CB 4.15Å; I213-R216 HydrophobicContact CG2-CG 3.86Å; I213-R216 PolarHBondContact O-N 3Å; I214-R216 PolarHBondContact O-N 3.35Å; I214-R216 VanDerWaalsContact O-N 3.15Å; R216-Y218 VanDerWaalsContact C-N 3.34Å; R216-D219 WeakPolarHBondContact CD-OD2 3.4Å; R216-D219 IonicContact CZ-OD2 2.77Å; R216-D219 IonicContact NE-OD2 3.71Å; R216-D219 IonicContact NH1-OD2 3.8Å; R216-D219 PolarHBondContact NH1-OD2 3.02Å; R216-F220 WeakPolarHBondContact O-CB 3.17Å; R216-F220 PolarHBondContact O-N 3.34Å
217I98.5Very high96.9Very high0 Ų037.9 Ų37.90%019%0.192CC..Hα-helixtrans-66.7-41.2169.6-61.7175.4000109.7F180 T210 I213 I214 F220 A221 F229 L256 A259F180-I217 HydrophobicContact CD2-CG1 4.42Å; F180-I217 HydrophobicContact CE2-CG1 3.78Å; T210-I217 HydrophobicContact CG2-CG1 4.47Å; I213-I217 PolarHBondContact O-N 2.82Å; I214-I217 HydrophobicContact CG1-CD1 4.44Å; I214-I217 WeakPolarHBondContact O-CB 3.19Å; I214-I217 PolarHBondContact O-N 3.49Å; I217-F220 PolarHBondContact O-N 3.39Å; I217-A221 WeakPolarHBondContact O-CB 3.41Å; I217-A221 PolarHBondContact O-N 2.88Å; I217-F229 HydrophobicContact CD1-CZ 4.43Å; I217-F229 HydrophobicContact CG1-CZ 4.05Å; I217-F229 HydrophobicContact CG2-CE1 4.16Å; I217-F229 HydrophobicContact CG2-CZ 4.37Å; I217-L256 HydrophobicContact CD1-CD1 3.46Å; I217-L256 VanDerWaalsContact CD1-CD1 3.46Å; I217-A259 HydrophobicContact CB-CB 4.22Å; I217-A259 HydrophobicContact CD1-CB 4.17Å; I217-A259 HydrophobicContact CG2-CB 4.02Å
218Y98.3Very high96.9Very high80 Ų8039.2 Ų39.231%0.31420%0.198SC..Hα-helixtrans-64.3-49.2175-61.2-67.4000111.2I214 P215 R216 F220 A221 D222 A259 Y262I214-Y218 HydrophobicContact CG2-CD2 4.14Å; I214-Y218 HydrophobicContact CG2-CE2 3.41Å; I214-Y218 VanDerWaalsContact CG2-CE2 3.41Å; I214-Y218 VanDerWaalsContact O-CD2 3.31Å; I214-Y218 WeakPolarHBondContact O-CD2 3.01Å; I214-Y218 PolarHBondContact O-N 2.82Å; P215-Y218 PolarHBondContact O-N 2.96Å; R216-Y218 VanDerWaalsContact C-N 3.34Å; Y218-F220 VanDerWaalsContact C-N 3.29Å; Y218-F220 PolarHBondContact O-N 3.03Å; Y218-A221 WeakPolarHBondContact O-CB 3.36Å; Y218-A221 PolarHBondContact O-N 3.09Å; Y218-A221 VanDerWaalsContact O-N 3.16Å; Y218-D222 PolarHBondContact O-N 2.78Å; Y218-A259 HydrophobicContact CE1-CB 4.21Å; Y218-A259 HydrophobicContact CE2-CB 4.25Å; Y218-Y262 AromaticContact CD1-CD1 3.43Å; Y218-Y262 HydrophobicContact CD1-CD1 3.43Å; Y218-Y262 VanDerWaalsContact CD1-CD1 3.43Å; Y218-Y262 HydrophobicContact CD1-CD2 4.27Å; Y218-Y262 AromaticContact CD1-CE1 3.82Å; Y218-Y262 HydrophobicContact CD1-CE1 3.82Å; Y218-Y262 AromaticContact CD1-CG 3.66Å; Y218-Y262 HydrophobicContact CD1-CG 3.66Å; Y218-Y262 HydrophobicContact CE1-CD1 4.03Å; Y218-Y262 HydrophobicContact CE1-CD2 4.34Å; Y218-Y262 AromaticContact CE1-CG 3.79Å; Y218-Y262 HydrophobicContact CE1-CG 3.79Å; Y218-Y262 HydrophobicContact CG-CD1 4.5Å
219D98Very high96.9Very high63 Ų6339.2 Ų39.234%0.33720%0.198SC..Hα-helixtrans-54.3-48175.2-62.5-23000110.9Y183 P215 R216 A221 D222 E223Y183-D219 HydrophobicContact CE1-CB 4.29Å; Y183-D219 HydrophobicContact CE2-CB 4.19Å; Y183-D219 VanDerWaalsContact OH-C 3.28Å; Y183-D219 PolarHBondContact OH-O 3.47Å; P215-D219 PolarHBondContact O-N 3.08Å; R216-D219 WeakPolarHBondContact CD-OD2 3.4Å; R216-D219 IonicContact CZ-OD2 2.77Å; R216-D219 IonicContact NE-OD2 3.71Å; R216-D219 IonicContact NH1-OD2 3.8Å; R216-D219 PolarHBondContact NH1-OD2 3.02Å; D219-A221 VanDerWaalsContact C-N 3.32Å; D219-A221 PolarHBondContact O-N 3.11Å; D219-D222 PolarHBondContact O-N 3.11Å; D219-D222 VanDerWaalsContact O-N 3.08Å; D219-E223 PolarHBondContact O-N 2.92Å
220F98.2Very high96.9Very high10 Ų1038.8 Ų38.84%0.04419%0.194CC..Hα-helixtrans-66.5-31.3-178.2-168.9-114.4000113.6F180 Y183 M187 L190 V208 R216 I217 Y218 D222 I227 F229 Y263F180-F220 HydrophobicContact CE1-CB 4.34Å; F180-F220 HydrophobicContact CE1-CD2 4.36Å; F180-F220 HydrophobicContact CE1-CG 4.2Å; F180-F220 HydrophobicContact CZ-CB 3.83Å; F180-F220 HydrophobicContact CZ-CD1 4.1Å; F180-F220 AromaticContact CZ-CG 3.9Å; F180-F220 HydrophobicContact CZ-CG 3.9Å; Y183-F220 HydrophobicContact CE2-CB 4.18Å; Y183-F220 HydrophobicContact CE2-CD2 4.44Å; Y183-F220 WeakPolarHBondContact OH-CA 3.26Å; Y183-F220 PolarHBondContact OH-N 3.3Å; M187-F220 HydrophobicContact SD-CD2 3.97Å; M187-F220 HydrophobicContact SD-CE2 4.01Å; L190-F220 HydrophobicContact CD1-CE2 4.44Å; V208-F220 HydrophobicContact CB-CZ 4.04Å; V208-F220 HydrophobicContact CG1-CZ 4.39Å; V208-F220 HydrophobicContact CG2-CE2 4.3Å; V208-F220 HydrophobicContact CG2-CZ 4.03Å; R216-F220 WeakPolarHBondContact O-CB 3.17Å; R216-F220 PolarHBondContact O-N 3.34Å; I217-F220 PolarHBondContact O-N 3.39Å; Y218-F220 VanDerWaalsContact C-N 3.29Å; Y218-F220 PolarHBondContact O-N 3.03Å; F220-D222 PolarHBondContact O-N 3.48Å; F220-I227 HydrophobicContact CZ-CB 4.24Å; F220-I227 HydrophobicContact CZ-CG2 3.92Å; F220-F229 HydrophobicContact CD1-CD2 4.01Å; F220-F229 HydrophobicContact CD1-CE2 4.38Å; F220-F229 HydrophobicContact CD1-CG 4.25Å; F220-F229 HydrophobicContact CE1-CB 4.06Å; F220-F229 AromaticContact CE1-CD2 3.84Å; F220-F229 HydrophobicContact CE1-CD2 3.84Å; F220-F229 HydrophobicContact CE1-CG 4.05Å; F220-Y263 HydrophobicContact CD1-CD2 4.34Å; F220-Y263 AromaticContact CD1-CE2 3.72Å; F220-Y263 HydrophobicContact CD1-CE2 3.72Å; F220-Y263 HydrophobicContact CE1-CE2 4.03Å
221A97.3Very high97Very high5 Ų538.7 Ų38.74%0.04119%0.194CC..Hα-helixtrans-65.4-29.817400000112.2I217 Y218 D219 Y262 Y263 K266I217-A221 WeakPolarHBondContact O-CB 3.41Å; I217-A221 PolarHBondContact O-N 2.88Å; Y218-A221 WeakPolarHBondContact O-CB 3.36Å; Y218-A221 PolarHBondContact O-N 3.09Å; Y218-A221 VanDerWaalsContact O-N 3.16Å; D219-A221 VanDerWaalsContact C-N 3.32Å; D219-A221 PolarHBondContact O-N 3.11Å; A221-Y262 HydrophobicContact CB-CD1 3.81Å; A221-Y262 HydrophobicContact CB-CE1 3.74Å; A221-Y263 HydrophobicContact CB-CD2 3.73Å; A221-Y263 HydrophobicContact CB-CG 4.34Å; A221-K266 HydrophobicContact CB-CB 4.31Å; A221-K266 HydrophobicContact CB-CG 4.46Å
222D97.1Very high97Very high91 Ų9139.4 Ų39.449%0.48720%0.199SC..THydrogen-bonded Turntrans-92.3-2.3-175.2-66.6-30.3000113.5Y218 D219 F220 D224 Y262Y218-D222 PolarHBondContact O-N 2.78Å; D219-D222 PolarHBondContact O-N 3.11Å; D219-D222 VanDerWaalsContact O-N 3.08Å; F220-D222 PolarHBondContact O-N 3.48Å; D222-D224 VanDerWaalsContact C-N 3.28Å; D222-D224 PolarHBondContact O-N 2.9Å; D222-Y262 PolarHBondContact OD1-OH 3Å; D222-Y262 PolarHBondContact OD2-OH 3.45Å
223E95.4Very high97Very high52 Ų5239.4 Ų39.424%0.24320%0.199CC..THydrogen-bonded Turntrans-71.6-15.6179-68.4-73173.500114.6Y183 M187 R191 D219 I225Y183-E223 WeakPolarHBondContact CE1-OE1 3.26Å; Y183-E223 WeakPolarHBondContact OH-CG 3.44Å; Y183-E223 PolarHBondContact OH-OE1 3.41Å; M187-E223 HydrophobicContact CE-CB 4.02Å; M187-E223 VanDerWaalsContact CE-CD 3.43Å; M187-E223 HydrophobicContact CE-CG 3.56Å; M187-E223 WeakPolarHBondContact CE-OE2 3.44Å; M187-E223 HydrophobicContact SD-CG 4.19Å; R191-E223 IonicContact CZ-OE2 2.62Å; R191-E223 IonicContact NH2-OE2 3.71Å; R191-E223 PolarHBondContact NH2-OE2 3.45Å; D219-E223 PolarHBondContact O-N 2.92Å; E223-I225 HydrophobicContact CB-CD1 4.34Å; E223-I225 HydrophobicContact CB-CG1 4.09Å; E223-I225 WeakPolarHBondContact O-CG1 3.14Å; E223-I225 PolarHBondContact O-N 2.66Å
224D88.8Confident97Very high157 Ų15739.2 Ų39.284%0.8420%0.198SC*.  trans51.846.3-176.5-16628.7000114.2D222D222-D224 VanDerWaalsContact C-N 3.28Å; D222-D224 PolarHBondContact O-N 2.9Å
225I91.6Very high96.9Very high31 Ų3138.7 Ų38.716%0.15920%0.195CC..  trans-117.7137.8176.9-43.8-178.5000110.7M187 R191 A203 E223 I227M187-I225 HydrophobicContact CE-CD1 3.6Å; R191-I225 HydrophobicContact CG-CD1 4.4Å; A203-I225 HydrophobicContact CB-CG2 4.2Å; E223-I225 HydrophobicContact CB-CD1 4.34Å; E223-I225 HydrophobicContact CB-CG1 4.09Å; E223-I225 WeakPolarHBondContact O-CG1 3.14Å; E223-I225 PolarHBondContact O-N 2.66Å; I225-I227 HydrophobicContact CB-CD1 4.26Å; I225-I227 HydrophobicContact CB-CG1 4.45Å; I225-I227 HydrophobicContact CG2-CD1 3.67Å; I225-I227 HydrophobicContact CG2-CG1 3.73Å; I225-I227 PolarHBondContact O-N 2.72Å
226Q94.9Very high96.9Very high99 Ų9936.4 Ų36.446%0.46318%0.182SC..  trans-77.934.1-179.1-62.3-164.4-6.200114.9A203 R204 R269A203-Q226 CarbonylContact C-O 3.55Å; A203-Q226 HydrophobicContact CB-CB 4.15Å; R204-Q226 HydrophobicContact CG-CB 4.35Å; R204-Q226 PolarHBondContact N-O 2.96Å; Q226-R269 VanDerWaalsContact C-CZ 3.47Å; Q226-R269 VanDerWaalsContact O-CZ 3.26Å; Q226-R269 PolarHBondContact O-NH2 2.75Å
227I97.5Very high96.9Very high1 Ų137.9 Ų37.91%0.00519%0.19CC..  trans-75.2147.9177.1-72.5166.4000110.2L190 A203 I206 V208 F220 I225 R269L190-I227 HydrophobicContact CB-CD1 3.95Å; L190-I227 HydrophobicContact CD1-CD1 3.79Å; L190-I227 HydrophobicContact CD2-CD1 3.68Å; L190-I227 HydrophobicContact CG-CD1 4Å; A203-I227 HydrophobicContact CB-CG1 4.07Å; A203-I227 WeakPolarHBondContact O-CA 3.24Å; I206-I227 HydrophobicContact CB-CG1 4.39Å; I206-I227 HydrophobicContact CG2-CG2 4.45Å; V208-I227 HydrophobicContact CB-CG2 4.25Å; V208-I227 HydrophobicContact CG2-CG2 3.63Å; F220-I227 HydrophobicContact CZ-CB 4.24Å; F220-I227 HydrophobicContact CZ-CG2 3.92Å; I225-I227 HydrophobicContact CB-CD1 4.26Å; I225-I227 HydrophobicContact CB-CG1 4.45Å; I225-I227 HydrophobicContact CG2-CD1 3.67Å; I225-I227 HydrophobicContact CG2-CG1 3.73Å; I225-I227 PolarHBondContact O-N 2.72Å; I227-R269 PolarHBondContact O-NE 2.92Å; I227-R269 PolarHBondContact O-NH2 3.44Å
228N98.3Very high96.9Very high50 Ų5040.8 Ų40.827%0.26721%0.206SC..EExtended strand (participates in β ladder)trans-78136.3173.8-61.5-31.4000110.2R204 I206 T207 V208 R269R204-N228 PolarHBondContact O-ND2 2.76Å; I206-N228 WeakPolarHBondContact O-CB 3.23Å; I206-N228 PolarHBondContact O-N 2.75Å; T207-N228 CarbonylContact C-O 3.55Å; T207-N228 WeakPolarHBondContact CA-O 3.4Å; T207-N228 HydrophobicContact CG2-CB 4.17Å; V208-N228 PolarHBondContact N-O 3.38Å; N228-R269 PolarHBondContact OD1-NH2 3.24Å; N228-R269 VanDerWaalsContact OD1-NH2 3.11Å
229F98.5Very high96.8Very high1 Ų143.8 Ų43.80%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-111.9130.1-178.5-175.4-137.2000111.4F180 T210 I217 F220 V231 Y263 V271 T272F180-F229 HydrophobicContact CE2-CE2 4.03Å; F180-F229 HydrophobicContact CE2-CZ 4.2Å; F180-F229 HydrophobicContact CZ-CD2 4.46Å; F180-F229 AromaticContact CZ-CE2 3.65Å; F180-F229 HydrophobicContact CZ-CE2 3.65Å; F180-F229 HydrophobicContact CZ-CZ 4.2Å; T210-F229 HydrophobicContact CG2-CE2 3.64Å; T210-F229 HydrophobicContact CG2-CZ 3.64Å; I217-F229 HydrophobicContact CD1-CZ 4.43Å; I217-F229 HydrophobicContact CG1-CZ 4.05Å; I217-F229 HydrophobicContact CG2-CE1 4.16Å; I217-F229 HydrophobicContact CG2-CZ 4.37Å; F220-F229 HydrophobicContact CD1-CD2 4.01Å; F220-F229 HydrophobicContact CD1-CE2 4.38Å; F220-F229 HydrophobicContact CD1-CG 4.25Å; F220-F229 HydrophobicContact CE1-CB 4.06Å; F220-F229 AromaticContact CE1-CD2 3.84Å; F220-F229 HydrophobicContact CE1-CD2 3.84Å; F220-F229 HydrophobicContact CE1-CG 4.05Å; F229-V231 HydrophobicContact CD1-CG2 4.38Å; F229-V231 HydrophobicContact CE1-CG2 3.62Å; F229-V231 HydrophobicContact CE2-CG2 4.23Å; F229-V231 HydrophobicContact CZ-CG2 3.51Å; F229-Y263 HydrophobicContact CB-CE1 4Å; F229-Y263 HydrophobicContact CB-CE2 4.23Å; F229-Y263 WeakPolarHBondContact CB-OH 3.43Å; F229-Y263 AromaticContact CD1-CD1 3.95Å; F229-Y263 HydrophobicContact CD1-CD1 3.95Å; F229-Y263 HydrophobicContact CD1-CD2 4.04Å; F229-Y263 AromaticContact CD1-CE1 3.87Å; F229-Y263 HydrophobicContact CD1-CE1 3.87Å; F229-Y263 AromaticContact CD1-CE2 3.99Å; F229-Y263 HydrophobicContact CD1-CE2 3.99Å; F229-Y263 HydrophobicContact CD1-CG 4.05Å; F229-Y263 AromaticContact CD1-CZ 3.91Å; F229-Y263 HydrophobicContact CE1-CD2 4.44Å; F229-Y263 HydrophobicContact CE1-CG 4.41Å; F229-Y263 HydrophobicContact CG-CE1 4.37Å; F229-Y263 HydrophobicContact CG-CE2 4.24Å; F229-V271 HydrophobicContact CD1-CG1 4.14Å; F229-V271 HydrophobicContact CD1-CG2 3.9Å; F229-T272 PolarHBondContact O-N 2.82Å
230A98.5Very high96.8Very high0 Ų041.4 Ų41.40%021%0.21CC..EExtended strand (participates in β ladder)trans-123.3142.2177.300000111.5T207 V208 S209 T210 T272 E274T207-A230 HydrophobicContact CG2-CB 3.96Å; V208-A230 PolarHBondContact O-N 2.95Å; S209-A230 CarbonylContact C-O 3.59Å; S209-A230 VanDerWaalsContact CA-O 3.26Å; S209-A230 WeakPolarHBondContact CA-O 3.47Å; T210-A230 PolarHBondContact N-O 3.44Å; T210-A230 VanDerWaalsContact N-O 3.09Å; A230-T272 CarbonylContact C-O 3.41Å; A230-T272 WeakPolarHBondContact CA-O 3.31Å; A230-E274 HydrophobicContact CB-CG 4.13Å
231V98.6Very high96.8Very high0 Ų040.9 Ų40.90%021%0.208CC..EExtended strand (participates in β ladder)trans-123.8121.1178.2178.10000109.2T210 F229 L233 L256 I260 V271 T272 F273 E274T210-V231 HydrophobicContact CG2-CG2 4.25Å; F229-V231 HydrophobicContact CD1-CG2 4.38Å; F229-V231 HydrophobicContact CE1-CG2 3.62Å; F229-V231 HydrophobicContact CE2-CG2 4.23Å; F229-V231 HydrophobicContact CZ-CG2 3.51Å; V231-L233 PolarHBondContact O-N 3.24Å; V231-L256 HydrophobicContact CG1-CD1 4.2Å; V231-L256 HydrophobicContact CG1-CD2 3.97Å; V231-L256 HydrophobicContact CG1-CG 4.43Å; V231-I260 HydrophobicContact CB-CD1 4.42Å; V231-I260 HydrophobicContact CG1-CD1 4.33Å; V231-I260 HydrophobicContact CG2-CD1 3.99Å; V231-I260 HydrophobicContact CG2-CG1 4.36Å; V231-V271 HydrophobicContact CG2-CG1 4Å; V231-T272 PolarHBondContact N-O 3.23Å; V231-F273 HydrophobicContact CB-CD1 4.08Å; V231-F273 HydrophobicContact CB-CE1 4.23Å; V231-F273 HydrophobicContact CG1-CD1 4.4Å; V231-F273 HydrophobicContact CG1-CE1 4.38Å; V231-F273 WeakPolarHBondContact O-CA 3.38Å; V231-E274 PolarHBondContact O-N 2.73Å
232S97.4Very high96.8Very high21 Ų2141.8 Ų41.815%0.14721%0.214CC..EExtended strand (participates in β ladder)trans-73.194.9171.6-63.20000109.4T210 M245T210-S232 PolarHBondContact O-N 2.8Å; S232-M245 VanDerWaalsContact O-CE 3.3Å; S232-M245 WeakPolarHBondContact O-CE 3.14Å
233L98.1Very high96.7Very high0 Ų043.8 Ų43.80%022%0.215CC..  trans-92.5-52.1-175.3-179.362.1000111.6V231 A235 R241 L256 F273 E274 L291 L294V231-L233 PolarHBondContact O-N 3.24Å; L233-A235 PolarHBondContact O-N 2.84Å; L233-R241 WeakPolarHBondContact O-CD 3.29Å; L233-R241 PolarHBondContact O-NE 2.84Å; L233-L256 HydrophobicContact CD1-CD2 4.1Å; L233-F273 HydrophobicContact CB-CD1 3.89Å; L233-F273 HydrophobicContact CD2-CD1 3.83Å; L233-F273 HydrophobicContact CD2-CE1 4.15Å; L233-F273 HydrophobicContact CD2-CG 4.29Å; L233-F273 HydrophobicContact CG-CD1 4.43Å; L233-E274 PolarHBondContact N-O 3.46Å; L233-L291 HydrophobicContact CD2-CD1 3.53Å; L233-L294 HydrophobicContact CD2-CD2 4.17Å
234H97.1Very high96.7Very high11 Ų1141.3 Ų41.35%0.05120%0.203CC..  trans55.4-12.6178-59.9-80.6000117.9F133 L244 M245 E274 Y275 G276 F278 N282F133-H234 AromaticContact CZ-CD2 3.76Å; F133-H234 AromaticContact CZ-CE1 3.89Å; F133-H234 AromaticContact CZ-NE2 3.64Å; H234-L244 HydrophobicContact CB-CD1 4.16Å; H234-M245 HydrophobicContact CB-SD 4.16Å; H234-M245 PolarHBondContact CD2-SD 3.09Å; H234-E274 PolarHBondContact N-O 3.41Å; H234-Y275 VanDerWaalsContact C-CE2 3.43Å; H234-G276 PolarHBondContact CE1-N 2.95Å; H234-G276 WeakPolarHBondContact ND1-CA 3.33Å; H234-G276 PolarHBondContact ND1-N 2.92Å; H234-F278 HydrophobicContact CB-CE2 4.32Å; H234-F278 AromaticContact ND1-CE2 3.78Å; H234-N282 PolarHBondContact O-ND2 3.42Å
235A97.6Very high97.1Very high2 Ų233.9 Ų33.92%0.01716%0.163CC..  trans-163.9143.9171.500000110.2L233 V240 R241 L244L233-A235 PolarHBondContact O-N 2.84Å; A235-V240 HydrophobicContact CB-CB 3.8Å; A235-V240 HydrophobicContact CB-CG1 3.79Å; A235-R241 HydrophobicContact CB-CB 3.83Å; A235-L244 HydrophobicContact CB-CD1 4.43Å
236A97.5Very high97.3Very high12 Ų1234.1 Ų34.110%0.09917%0.167CC..SBendtrans-84.9-20.2-179.900000113.7E290 L291 L294A236-E290 HydrophobicContact CB-CB 3.95Å; A236-L291 HydrophobicContact CB-CB 4.21Å; A236-L294 HydrophobicContact CB-CB 4.34Å; A236-L294 HydrophobicContact CB-CD2 3.9Å
237K97.7Very high97.3Very high109 Ų10930.6 Ų30.647%0.47415%0.151SC..SBendtrans-106.4139.5178.2-74.9-178.7169.4168.30111.4E239 V240 R241 E290K237-E239 VanDerWaalsContact C-N 3.28Å; K237-E239 PolarHBondContact O-N 3.43Å; K237-V240 PolarHBondContact O-N 3.24Å; K237-R241 WeakPolarHBondContact O-CB 3.44Å; K237-R241 PolarHBondContact O-N 3.21Å; K237-E290 WeakPolarHBondContact CD-OE2 3.42Å; K237-E290 WeakPolarHBondContact CE-OE1 3Å; K237-E290 IonicContact NZ-OE1 2.63Å; K237-E290 PolarHBondContact NZ-OE1 3.34Å; K237-E290 IonicContact NZ-OE2 3.97Å
238D98.2Very high97.3Very high61 Ų6130.7 Ų30.733%0.32615%0.151SC..Hα-helixtrans-57.7-36.7-178.4-80.4-38.2000113.6S242 N248 N252 V253D238-S242 WeakPolarHBondContact O-CB 3.42Å; D238-S242 PolarHBondContact O-N 2.96Å; D238-S242 PolarHBondContact O-OG 2.67Å; D238-N248 WeakPolarHBondContact CA-ND2 3.42Å; D238-N248 PolarHBondContact O-ND2 3.1Å; D238-N248 PolarHBondContact OD1-ND2 2.95Å; D238-N248 PolarHBondContact OD1-OD1 3.1Å; D238-N252 WeakPolarHBondContact OD1-CB 3.46Å; D238-V253 WeakPolarHBondContact OD1-CG2 3.5Å; D238-V253 PolarHBondContact OD1-N 3.39Å
239E97.3Very high97.3Very high144 Ų14437.1 Ų37.167%0.67317%0.172SC*.Hα-helixtrans-60.2-51.4179.1-173.1-165.6155.100111.4K237 R243K237-E239 VanDerWaalsContact C-N 3.28Å; K237-E239 PolarHBondContact O-N 3.43Å; E239-R243 WeakPolarHBondContact O-CG 3.48Å; E239-R243 PolarHBondContact O-N 3.2Å
240V97Very high97.2Very high12 Ų1240 Ų407%0.07320%0.196CC..Hα-helixtrans-70.4-43.4-180-172.70000110.2A235 K237 S242 R243 L244 V281 N282A235-V240 HydrophobicContact CB-CB 3.8Å; A235-V240 HydrophobicContact CB-CG1 3.79Å; K237-V240 PolarHBondContact O-N 3.24Å; V240-S242 VanDerWaalsContact C-N 3.35Å; V240-S242 PolarHBondContact O-N 3.43Å; V240-R243 WeakPolarHBondContact O-CB 3.49Å; V240-R243 PolarHBondContact O-N 2.71Å; V240-L244 HydrophobicContact CG1-CD1 4.19Å; V240-L244 PolarHBondContact O-N 3.45Å; V240-L244 VanDerWaalsContact O-N 3.17Å; V240-V281 HydrophobicContact CG1-CG1 4.13Å; V240-N282 HydrophobicContact CG1-CB 4.14Å
241R98Very high97.1Very high0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-62.3-41.6179.8-167.1173.1177.2-96.6-3.5111.9S211 L233 A235 K237 R243 L244 M245 N248 Y251 V253S211-R241 PolarHBondContact O-NH2 3.12Å; L233-R241 WeakPolarHBondContact O-CD 3.29Å; L233-R241 PolarHBondContact O-NE 2.84Å; A235-R241 HydrophobicContact CB-CB 3.83Å; K237-R241 WeakPolarHBondContact O-CB 3.44Å; K237-R241 PolarHBondContact O-N 3.21Å; R241-R243 VanDerWaalsContact C-N 3.27Å; R241-R243 PolarHBondContact O-N 3.47Å; R241-L244 PolarHBondContact O-N 2.9Å; R241-M245 CarbonylContact O-C 3.57Å; R241-M245 WeakPolarHBondContact O-CA 3.49Å; R241-M245 PolarHBondContact O-N 3.03Å; R241-N248 HydrophobicContact CB-CB 4.33Å; R241-N248 VanDerWaalsContact CD-OD1 3.24Å; R241-N248 WeakPolarHBondContact CD-OD1 3.5Å; R241-N248 HydrophobicContact CG-CB 3.97Å; R241-N248 VanDerWaalsContact NH1-CB 3.32Å; R241-N248 PolarHBondContact NH1-OD1 2.85Å; R241-Y251 PolarHBondContact NH1-O 3.18Å; R241-V253 HydrophobicContact CB-CG2 4.25Å; R241-V253 VanDerWaalsContact CD-CG2 3.44Å; R241-V253 HydrophobicContact CG-CG2 4.45Å
242S97.6Very high97.1Very high24 Ų2444.7 Ų44.717%0.16822%0.217CC..Hα-helixtrans-65.7-28.2177.9-57.70000113.5D238 V240 N248D238-S242 WeakPolarHBondContact O-CB 3.42Å; D238-S242 PolarHBondContact O-N 2.96Å; D238-S242 PolarHBondContact O-OG 2.67Å; V240-S242 VanDerWaalsContact C-N 3.35Å; V240-S242 PolarHBondContact O-N 3.43Å; S242-N248 PolarHBondContact OG-ND2 3.41Å
243R95.5Very high97.2Very high132 Ų13243.9 Ų43.950%0.49821%0.211SC..Hα-helixtrans-72-38.3173.3-71.7-172.6-64.2152.90.3112T132 E239 V240 R241T132-R243 VanDerWaalsContact CG2-O 3.25Å; T132-R243 WeakPolarHBondContact CG2-O 3.29Å; T132-R243 PolarHBondContact OG1-O 2.66Å; E239-R243 WeakPolarHBondContact O-CG 3.48Å; E239-R243 PolarHBondContact O-N 3.2Å; V240-R243 WeakPolarHBondContact O-CB 3.49Å; V240-R243 PolarHBondContact O-N 2.71Å; R241-R243 VanDerWaalsContact C-N 3.27Å; R241-R243 PolarHBondContact O-N 3.47Å
244L95.5Very high97.1Very high0 Ų050 Ų500%024%0.24CC..Hα-helixtrans-81.6-38.1-179.7-67173.2000112.7C131 T132 F133 H234 A235 V240 R241 F278 V281 Y315C131-L244 WeakPolarHBondContact CA-O 3.5Å; T132-L244 PolarHBondContact N-O 3.18Å; T132-L244 WeakPolarHBondContact OG1-CA 3.1Å; T132-L244 PolarHBondContact OG1-O 3.35Å; F133-L244 HydrophobicContact CD1-CB 4.26Å; F133-L244 HydrophobicContact CD1-CD2 4.26Å; F133-L244 HydrophobicContact CE1-CB 4.12Å; H234-L244 HydrophobicContact CB-CD1 4.16Å; A235-L244 HydrophobicContact CB-CD1 4.43Å; V240-L244 HydrophobicContact CG1-CD1 4.19Å; V240-L244 PolarHBondContact O-N 3.45Å; V240-L244 VanDerWaalsContact O-N 3.17Å; R241-L244 PolarHBondContact O-N 2.9Å; L244-F278 HydrophobicContact CD1-CD2 3.93Å; L244-F278 HydrophobicContact CD1-CE2 3.98Å; L244-F278 HydrophobicContact CD2-CD2 3.93Å; L244-F278 HydrophobicContact CD2-CE2 4.05Å; L244-F278 HydrophobicContact CD2-CG 4.29Å; L244-F278 HydrophobicContact CD2-CZ 4.5Å; L244-V281 HydrophobicContact CD1-CG1 4.46Å; L244-V281 HydrophobicContact CD2-CG1 4.15Å; L244-V281 HydrophobicContact CG-CG1 4.47Å; L244-Y315 HydrophobicContact CD2-CE1 3.64Å
245M96.1Very high97.2Very high1 Ų154.9 Ų54.91%0.00526%0.261CS..  trans-14095.8-169.7-60.5-179.670.300110.1F133 S211 S232 H234 R241 I247 N248F133-M245 HydrophobicContact CE1-CG 3.82Å; F133-M245 HydrophobicContact CZ-CG 4.21Å; S211-M245 VanDerWaalsContact CB-CE 3.45Å; S232-M245 VanDerWaalsContact O-CE 3.3Å; S232-M245 WeakPolarHBondContact O-CE 3.14Å; H234-M245 HydrophobicContact CB-SD 4.16Å; H234-M245 PolarHBondContact CD2-SD 3.09Å; R241-M245 CarbonylContact O-C 3.57Å; R241-M245 WeakPolarHBondContact O-CA 3.49Å; R241-M245 PolarHBondContact O-N 3.03Å; M245-I247 HydrophobicContact CB-CG2 4.17Å; M245-I247 HydrophobicContact CE-CG2 4.22Å; M245-I247 PolarHBondContact O-N 3.28Å; M245-N248 WeakPolarHBondContact O-CB 3.25Å; M245-N248 PolarHBondContact O-N 3.21Å
246P95.6Very high97.2Very high36 Ų3654.8 Ų54.823%0.23426%0.26CS..G310 helixtrans-54.6-25.7-178.4-31.138.3000115.3G130 N248 R249G130-P246 WeakPolarHBondContact O-CD 3.4Å; G130-P246 WeakPolarHBondContact O-CG 3.39Å; P246-N248 PolarHBondContact O-N 3.23Å; P246-N248 VanDerWaalsContact O-N 3.08Å; P246-R249 WeakPolarHBondContact O-CB 3.38Å; P246-R249 PolarHBondContact O-N 3.41Å
247I96.2Very high97.3Very high25 Ų2554.8 Ų54.813%0.12826%0.259CS..G310 helixtrans-55.4-24.4175.8-165.959.7000113.1I129 S211 I213 M245 R249 A250 Y251I129-I247 HydrophobicContact CG2-CB 4.09Å; I129-I247 HydrophobicContact CG2-CG2 4.18Å; S211-I247 WeakPolarHBondContact O-CG2 3.36Å; I213-I247 HydrophobicContact CD1-CD1 3.6Å; I213-I247 HydrophobicContact CD1-CG1 3.87Å; M245-I247 HydrophobicContact CB-CG2 4.17Å; M245-I247 HydrophobicContact CE-CG2 4.22Å; M245-I247 PolarHBondContact O-N 3.28Å; I247-R249 PolarHBondContact O-N 2.95Å; I247-R249 VanDerWaalsContact O-N 3.11Å; I247-A250 HydrophobicContact CD1-CB 4.41Å; I247-A250 PolarHBondContact O-N 2.98Å; I247-Y251 HydrophobicContact CD1-CD2 3.81Å; I247-Y251 HydrophobicContact CD1-CE2 3.98Å; I247-Y251 HydrophobicContact CG1-CD2 3.87Å; I247-Y251 HydrophobicContact CG1-CE2 4.48Å; I247-Y251 PolarHBondContact O-N 2.93Å
248N97.9Very high97.3Very high3 Ų354.1 Ų54.12%0.01626%0.257CS..G310 helixtrans-57.7-26.1175.7-167.169.4000113.8D238 R241 S242 M245 P246 A250 Y251 N252 V253D238-N248 WeakPolarHBondContact CA-ND2 3.42Å; D238-N248 PolarHBondContact O-ND2 3.1Å; D238-N248 PolarHBondContact OD1-ND2 2.95Å; D238-N248 PolarHBondContact OD1-OD1 3.1Å; R241-N248 HydrophobicContact CB-CB 4.33Å; R241-N248 VanDerWaalsContact CD-OD1 3.24Å; R241-N248 WeakPolarHBondContact CD-OD1 3.5Å; R241-N248 HydrophobicContact CG-CB 3.97Å; R241-N248 VanDerWaalsContact NH1-CB 3.32Å; R241-N248 PolarHBondContact NH1-OD1 2.85Å; S242-N248 PolarHBondContact OG-ND2 3.41Å; M245-N248 WeakPolarHBondContact O-CB 3.25Å; M245-N248 PolarHBondContact O-N 3.21Å; P246-N248 PolarHBondContact O-N 3.23Å; P246-N248 VanDerWaalsContact O-N 3.08Å; N248-A250 VanDerWaalsContact C-N 3.29Å; N248-A250 PolarHBondContact O-N 2.86Å; N248-Y251 WeakPolarHBondContact CA-O 3.33Å; N248-Y251 CarbonylContact O-C 3.24Å; N248-Y251 VanDerWaalsContact O-C 3.24Å; N248-Y251 PolarHBondContact O-N 3.12Å; N248-Y251 PolarHBondContact OD1-O 3.44Å; N248-N252 VanDerWaalsContact O-CA 3.27Å; N248-N252 WeakPolarHBondContact O-CA 3.41Å; N248-N252 PolarHBondContact O-N 2.97Å; N248-N252 VanDerWaalsContact O-N 3.12Å; N248-N252 WeakPolarHBondContact OD1-CA 2.95Å; N248-V253 PolarHBondContact OD1-N 2.54Å
249R96.7Very high97.3Very high185 Ų18551.2 Ų51.270%0.69824%0.242SC*.G310 helixtrans-68.9-29.6177-60.4-177.6-171117.52.6112.5P246 I247P246-R249 WeakPolarHBondContact O-CB 3.38Å; P246-R249 PolarHBondContact O-N 3.41Å; I247-R249 PolarHBondContact O-N 2.95Å; I247-R249 VanDerWaalsContact O-N 3.11Å
250A96.9Very high97.4Very high62 Ų6244.4 Ų44.451%0.51221%0.21SC..THydrogen-bonded Turntrans-86.1-39.3173.500000111.2I247 N248I247-A250 HydrophobicContact CD1-CB 4.41Å; I247-A250 PolarHBondContact O-N 2.98Å; N248-A250 VanDerWaalsContact C-N 3.29Å; N248-A250 PolarHBondContact O-N 2.86Å
251Y97.7Very high97.4Very high59 Ų5947.8 Ų47.823%0.23123%0.225CC..SBendtrans-130.684.6-173.7-57.4-48.4000109.6G212 I213 I214 P215 R241 I247 N248G212-Y251 WeakPolarHBondContact O-CB 3.32Å; G212-Y251 WeakPolarHBondContact O-CD2 3.46Å; I213-Y251 HydrophobicContact CB-CE2 4.45Å; I213-Y251 HydrophobicContact CD1-CD2 4.39Å; I213-Y251 HydrophobicContact CD1-CE2 4.03Å; I213-Y251 HydrophobicContact CG2-CE2 4.17Å; I214-Y251 HydrophobicContact CB-CD1 3.74Å; I214-Y251 HydrophobicContact CB-CE1 4.12Å; I214-Y251 HydrophobicContact CB-CG 4.1Å; I214-Y251 HydrophobicContact CD1-CD1 3.8Å; I214-Y251 HydrophobicContact CD1-CG 3.96Å; I214-Y251 HydrophobicContact CG1-CD1 3.96Å; I214-Y251 HydrophobicContact CG1-CG 3.95Å; P215-Y251 VanDerWaalsContact CD-CZ 3.48Å; P215-Y251 WeakPolarHBondContact CD-OH 3.43Å; P215-Y251 HydrophobicContact CG-CE1 4.17Å; R241-Y251 PolarHBondContact NH1-O 3.18Å; I247-Y251 HydrophobicContact CD1-CD2 3.81Å; I247-Y251 HydrophobicContact CD1-CE2 3.98Å; I247-Y251 HydrophobicContact CG1-CD2 3.87Å; I247-Y251 HydrophobicContact CG1-CE2 4.48Å; I247-Y251 PolarHBondContact O-N 2.93Å; N248-Y251 WeakPolarHBondContact CA-O 3.33Å; N248-Y251 CarbonylContact O-C 3.24Å; N248-Y251 VanDerWaalsContact O-C 3.24Å; N248-Y251 PolarHBondContact O-N 3.12Å; N248-Y251 PolarHBondContact OD1-O 3.44Å
252N98Very high97.4Very high40 Ų4050.9 Ų50.921%0.21424%0.237CC..  trans-66.5165.3-17877.7-13.7000111.6D238 N248 E254 K255 L256D238-N252 WeakPolarHBondContact OD1-CB 3.46Å; N248-N252 VanDerWaalsContact O-CA 3.27Å; N248-N252 WeakPolarHBondContact O-CA 3.41Å; N248-N252 PolarHBondContact O-N 2.97Å; N248-N252 VanDerWaalsContact O-N 3.12Å; N248-N252 WeakPolarHBondContact OD1-CA 2.95Å; N252-E254 VanDerWaalsContact C-N 3.33Å; N252-E254 PolarHBondContact O-N 2.95Å; N252-K255 PolarHBondContact O-N 3.43Å; N252-K255 VanDerWaalsContact OD1-CB 3.27Å; N252-K255 WeakPolarHBondContact OD1-CB 3.47Å; N252-K255 WeakPolarHBondContact OD1-CD 3.43Å; N252-K255 WeakPolarHBondContact OD1-CG 3.4Å; N252-K255 PolarHBondContact OD1-N 3.38Å; N252-K255 VanDerWaalsContact OD1-N 3.1Å; N252-L256 WeakPolarHBondContact O-CB 3.41Å; N252-L256 PolarHBondContact O-N 3.05Å
253V98.1Very high97.5Very high4 Ų449.8 Ų49.82%0.02423%0.229CC..Hα-helixtrans-59.3-43.6-173.9173.50000112.1D238 R241 N248 L256 I257 L294D238-V253 WeakPolarHBondContact OD1-CG2 3.5Å; D238-V253 PolarHBondContact OD1-N 3.39Å; R241-V253 HydrophobicContact CB-CG2 4.25Å; R241-V253 VanDerWaalsContact CD-CG2 3.44Å; R241-V253 HydrophobicContact CG-CG2 4.45Å; N248-V253 PolarHBondContact OD1-N 2.54Å; V253-L256 WeakPolarHBondContact O-CB 3.35Å; V253-L256 PolarHBondContact O-N 2.78Å; V253-I257 HydrophobicContact CG1-CG1 4.47Å; V253-I257 WeakPolarHBondContact O-CG1 3.37Å; V253-I257 PolarHBondContact O-N 3.42Å; V253-L294 HydrophobicContact CG1-CD1 3.59Å; V253-L294 HydrophobicContact CG1-CD2 3.33Å; V253-L294 HydrophobicContact CG1-CG 4.06Å
254E97.8Very high97.5Very high129 Ų12944.7 Ų44.760%0.60321%0.211SC*.Hα-helixtrans-58-53.7-179.1-176.7176.8-159.200111.9N252 L256 I257 E258N252-E254 VanDerWaalsContact C-N 3.33Å; N252-E254 PolarHBondContact O-N 2.95Å; E254-L256 VanDerWaalsContact C-N 3.26Å; E254-L256 PolarHBondContact O-N 3.25Å; E254-I257 PolarHBondContact O-N 3.04Å; E254-I257 VanDerWaalsContact O-N 3.08Å; E254-E258 PolarHBondContact O-N 3.15Å
255K98.2Very high97.6Very high112 Ų11252.2 Ų52.249%0.48725%0.246SC..Hα-helixtrans-64.3-32.1177.8-66.8175.3-178.7-178.30112.5I214 N252 I257 E258 A259I214-K255 VanDerWaalsContact CD1-C 3.47Å; I214-K255 HydrophobicContact CD1-CB 3.57Å; N252-K255 PolarHBondContact O-N 3.43Å; N252-K255 VanDerWaalsContact OD1-CB 3.27Å; N252-K255 WeakPolarHBondContact OD1-CB 3.47Å; N252-K255 WeakPolarHBondContact OD1-CD 3.43Å; N252-K255 WeakPolarHBondContact OD1-CG 3.4Å; N252-K255 PolarHBondContact OD1-N 3.38Å; N252-K255 VanDerWaalsContact OD1-N 3.1Å; K255-I257 VanDerWaalsContact C-N 3.32Å; K255-E258 PolarHBondContact O-N 3.24Å; K255-A259 PolarHBondContact O-N 3.22Å
256L98.5Very high97.6Very high0 Ų057.9 Ų57.90%027%0.271CS..Hα-helixtrans-63.9-41.1175176.960.8000110.8I214 I217 V231 L233 N252 V253 E254 A259 I260I214-L256 HydrophobicContact CD1-CB 4.29Å; I214-L256 HydrophobicContact CG1-CD1 4.27Å; I217-L256 HydrophobicContact CD1-CD1 3.46Å; I217-L256 VanDerWaalsContact CD1-CD1 3.46Å; V231-L256 HydrophobicContact CG1-CD1 4.2Å; V231-L256 HydrophobicContact CG1-CD2 3.97Å; V231-L256 HydrophobicContact CG1-CG 4.43Å; L233-L256 HydrophobicContact CD1-CD2 4.1Å; N252-L256 WeakPolarHBondContact O-CB 3.41Å; N252-L256 PolarHBondContact O-N 3.05Å; V253-L256 WeakPolarHBondContact O-CB 3.35Å; V253-L256 PolarHBondContact O-N 2.78Å; E254-L256 VanDerWaalsContact C-N 3.26Å; E254-L256 PolarHBondContact O-N 3.25Å; L256-A259 PolarHBondContact O-N 2.99Å; L256-I260 HydrophobicContact CD1-CD1 4.26Å; L256-I260 HydrophobicContact CG-CD1 4.12Å; L256-I260 VanDerWaalsContact O-CG1 3.26Å; L256-I260 WeakPolarHBondContact O-CG1 3.39Å; L256-I260 PolarHBondContact O-N 3.28Å
257I98.4Very high97.6Very high13 Ų1358 Ų587%0.06727%0.271CS..Hα-helixtrans-65.3-41.4174.7-64.8-49.7000111.3V253 E254 K255 A259 I260 Q261 F273 L294 I295 L298V253-I257 HydrophobicContact CG1-CG1 4.47Å; V253-I257 WeakPolarHBondContact O-CG1 3.37Å; V253-I257 PolarHBondContact O-N 3.42Å; E254-I257 PolarHBondContact O-N 3.04Å; E254-I257 VanDerWaalsContact O-N 3.08Å; K255-I257 VanDerWaalsContact C-N 3.32Å; I257-A259 VanDerWaalsContact C-N 3.33Å; I257-A259 PolarHBondContact O-N 2.72Å; I257-I260 HydrophobicContact CD1-CD1 4.3Å; I257-I260 WeakPolarHBondContact O-CB 3.39Å; I257-I260 PolarHBondContact O-N 3.16Å; I257-I260 VanDerWaalsContact O-N 3.13Å; I257-Q261 HydrophobicContact CG2-CG 4.44Å; I257-Q261 WeakPolarHBondContact O-CG 3.24Å; I257-Q261 PolarHBondContact O-N 3.48Å; I257-F273 HydrophobicContact CD1-CE1 4.34Å; I257-F273 HydrophobicContact CD1-CZ 3.97Å; I257-L294 HydrophobicContact CD1-CD2 4.3Å; I257-L294 HydrophobicContact CD1-CG 4.18Å; I257-L294 HydrophobicContact CG1-CD1 3.76Å; I257-L294 HydrophobicContact CG1-CD2 4.34Å; I257-L294 HydrophobicContact CG1-CG 3.95Å; I257-I295 HydrophobicContact CD1-CG2 4.25Å; I257-L298 HydrophobicContact CD1-CD1 4.25Å; I257-L298 HydrophobicContact CG2-CD1 4.16Å
258E98.2Very high97.6Very high95 Ų9563.4 Ų63.444%0.44430%0.3SS..Hα-helixtrans-57.5-44.5174.3-67.1174.8175.700112E254 K255 I260 Q261 Y262E254-E258 PolarHBondContact O-N 3.15Å; K255-E258 PolarHBondContact O-N 3.24Å; E258-I260 VanDerWaalsContact C-N 3.31Å; E258-I260 PolarHBondContact O-N 2.7Å; E258-Q261 WeakPolarHBondContact O-CB 3.35Å; E258-Q261 PolarHBondContact O-N 2.99Å; E258-Y262 PolarHBondContact O-N 3.1Å
259A98.5Very high97.5Very high0 Ų065.3 Ų65.30%031%0.307CS..Hα-helixtrans-64.5-35.6176.600000112.6I214 I217 Y218 K255 L256 I257 Y262 Y263I214-A259 HydrophobicContact CB-CB 4.5Å; I214-A259 HydrophobicContact CG1-CB 4.26Å; I214-A259 HydrophobicContact CG2-CB 3.9Å; I217-A259 HydrophobicContact CB-CB 4.22Å; I217-A259 HydrophobicContact CD1-CB 4.17Å; I217-A259 HydrophobicContact CG2-CB 4.02Å; Y218-A259 HydrophobicContact CE1-CB 4.21Å; Y218-A259 HydrophobicContact CE2-CB 4.25Å; K255-A259 PolarHBondContact O-N 3.22Å; L256-A259 PolarHBondContact O-N 2.99Å; I257-A259 VanDerWaalsContact C-N 3.33Å; I257-A259 PolarHBondContact O-N 2.72Å; A259-Y262 PolarHBondContact O-N 3.41Å; A259-Y263 PolarHBondContact O-N 3.08Å
260I98.4Very high97.5Very high0 Ų062.8 Ų62.80%030%0.297CS..Hα-helixtrans-69.2-38175.2-70.5168.2000111.1V231 L256 I257 E258 Y263 Q264 V271 F273 L298V231-I260 HydrophobicContact CB-CD1 4.42Å; V231-I260 HydrophobicContact CG1-CD1 4.33Å; V231-I260 HydrophobicContact CG2-CD1 3.99Å; V231-I260 HydrophobicContact CG2-CG1 4.36Å; L256-I260 HydrophobicContact CD1-CD1 4.26Å; L256-I260 HydrophobicContact CG-CD1 4.12Å; L256-I260 VanDerWaalsContact O-CG1 3.26Å; L256-I260 WeakPolarHBondContact O-CG1 3.39Å; L256-I260 PolarHBondContact O-N 3.28Å; I257-I260 HydrophobicContact CD1-CD1 4.3Å; I257-I260 WeakPolarHBondContact O-CB 3.39Å; I257-I260 PolarHBondContact O-N 3.16Å; I257-I260 VanDerWaalsContact O-N 3.13Å; E258-I260 VanDerWaalsContact C-N 3.31Å; E258-I260 PolarHBondContact O-N 2.7Å; I260-Y263 WeakPolarHBondContact O-CB 3.18Å; I260-Y263 PolarHBondContact O-N 3.36Å; I260-Q264 WeakPolarHBondContact O-CG 3.44Å; I260-Q264 PolarHBondContact O-N 3.33Å; I260-V271 HydrophobicContact CG2-CB 4.35Å; I260-V271 HydrophobicContact CG2-CG1 4.42Å; I260-V271 HydrophobicContact CG2-CG2 4.13Å; I260-F273 HydrophobicContact CD1-CE1 3.38Å; I260-F273 HydrophobicContact CD1-CZ 3.56Å; I260-F273 HydrophobicContact CG2-CZ 4.37Å; I260-L298 HydrophobicContact CG2-CD1 4.29Å
261Q98.1Very high97.6Very high84 Ų8459.9 Ų59.939%0.39327%0.273SS..Hα-helixtrans-59.9-47.3173.5-73170.4-25.800110.6I257 E258 Y263 Q264 E265 L298I257-Q261 HydrophobicContact CG2-CG 4.44Å; I257-Q261 WeakPolarHBondContact O-CG 3.24Å; I257-Q261 PolarHBondContact O-N 3.48Å; E258-Q261 WeakPolarHBondContact O-CB 3.35Å; E258-Q261 PolarHBondContact O-N 2.99Å; Q261-Y263 VanDerWaalsContact C-N 3.34Å; Q261-Y263 PolarHBondContact O-N 3.28Å; Q261-Q264 PolarHBondContact O-N 3.38Å; Q261-Q264 VanDerWaalsContact O-N 3.1Å; Q261-E265 WeakPolarHBondContact O-CG 3.33Å; Q261-E265 PolarHBondContact O-N 3.45Å; Q261-L298 HydrophobicContact CG-CD2 3.66Å
262Y98Very high97.7Very high64 Ų6458.2 Ų58.225%0.25127%0.269SS..Hα-helixtrans-56.2-47.6173.6179-89000112.2Y218 A221 D222 E258 A259 Q264 E265 K266Y218-Y262 AromaticContact CD1-CD1 3.43Å; Y218-Y262 HydrophobicContact CD1-CD1 3.43Å; Y218-Y262 VanDerWaalsContact CD1-CD1 3.43Å; Y218-Y262 HydrophobicContact CD1-CD2 4.27Å; Y218-Y262 AromaticContact CD1-CE1 3.82Å; Y218-Y262 HydrophobicContact CD1-CE1 3.82Å; Y218-Y262 AromaticContact CD1-CG 3.66Å; Y218-Y262 HydrophobicContact CD1-CG 3.66Å; Y218-Y262 HydrophobicContact CE1-CD1 4.03Å; Y218-Y262 HydrophobicContact CE1-CD2 4.34Å; Y218-Y262 AromaticContact CE1-CG 3.79Å; Y218-Y262 HydrophobicContact CE1-CG 3.79Å; Y218-Y262 HydrophobicContact CG-CD1 4.5Å; A221-Y262 HydrophobicContact CB-CD1 3.81Å; A221-Y262 HydrophobicContact CB-CE1 3.74Å; D222-Y262 PolarHBondContact OD1-OH 3Å; D222-Y262 PolarHBondContact OD2-OH 3.45Å; E258-Y262 PolarHBondContact O-N 3.1Å; A259-Y262 PolarHBondContact O-N 3.41Å; Y262-Q264 VanDerWaalsContact C-N 3.27Å; Y262-Q264 PolarHBondContact O-N 3.16Å; Y262-E265 PolarHBondContact O-N 3Å; Y262-K266 HydrophobicContact CD1-CG 4.01Å; Y262-K266 HydrophobicContact CE1-CG 3.63Å; Y262-K266 HydrophobicContact CE2-CG 4.2Å; Y262-K266 HydrophobicContact CG-CG 4.48Å; Y262-K266 WeakPolarHBondContact O-CB 3.24Å; Y262-K266 WeakPolarHBondContact O-CG 3.45Å; Y262-K266 PolarHBondContact O-N 3.34Å; Y262-K266 WeakPolarHBondContact OH-CE 3.22Å
263Y98.2Very high97.7Very high2 Ų256.3 Ų56.31%0.00826%0.259CS..Hα-helixtrans-56.3-42.6176.6175.5-86.5000111.8F220 A221 F229 A259 I260 Q261 T267 R269 V271F220-Y263 HydrophobicContact CD1-CD2 4.34Å; F220-Y263 AromaticContact CD1-CE2 3.72Å; F220-Y263 HydrophobicContact CD1-CE2 3.72Å; F220-Y263 HydrophobicContact CE1-CE2 4.03Å; A221-Y263 HydrophobicContact CB-CD2 3.73Å; A221-Y263 HydrophobicContact CB-CG 4.34Å; F229-Y263 HydrophobicContact CB-CE1 4Å; F229-Y263 HydrophobicContact CB-CE2 4.23Å; F229-Y263 WeakPolarHBondContact CB-OH 3.43Å; F229-Y263 AromaticContact CD1-CD1 3.95Å; F229-Y263 HydrophobicContact CD1-CD1 3.95Å; F229-Y263 HydrophobicContact CD1-CD2 4.04Å; F229-Y263 AromaticContact CD1-CE1 3.87Å; F229-Y263 HydrophobicContact CD1-CE1 3.87Å; F229-Y263 AromaticContact CD1-CE2 3.99Å; F229-Y263 HydrophobicContact CD1-CE2 3.99Å; F229-Y263 HydrophobicContact CD1-CG 4.05Å; F229-Y263 AromaticContact CD1-CZ 3.91Å; F229-Y263 HydrophobicContact CE1-CD2 4.44Å; F229-Y263 HydrophobicContact CE1-CG 4.41Å; F229-Y263 HydrophobicContact CG-CE1 4.37Å; F229-Y263 HydrophobicContact CG-CE2 4.24Å; A259-Y263 PolarHBondContact O-N 3.08Å; I260-Y263 WeakPolarHBondContact O-CB 3.18Å; I260-Y263 PolarHBondContact O-N 3.36Å; Q261-Y263 VanDerWaalsContact C-N 3.34Å; Q261-Y263 PolarHBondContact O-N 3.28Å; Y263-T267 HydrophobicContact CD2-CG2 4.24Å; Y263-T267 WeakPolarHBondContact CE1-OG1 3.18Å; Y263-T267 HydrophobicContact CE2-CG2 3.96Å; Y263-T267 WeakPolarHBondContact O-CB 3.33Å; Y263-T267 WeakPolarHBondContact O-CG2 3.45Å; Y263-T267 PolarHBondContact O-N 3.4Å; Y263-T267 PolarHBondContact O-OG1 2.85Å; Y263-R269 HydrophobicContact CE1-CB 4.13Å; Y263-V271 HydrophobicContact CD1-CG2 3.55Å; Y263-V271 HydrophobicContact CE1-CG2 3.7Å
264Q97.1Very high97.7Very high25 Ų2556.6 Ų56.612%0.11726%0.26CS..Hα-helixtrans-71.2-38.2179-69.6-169.7-10.400112.9I260 Q261 Y262 K266 N268 V271 N299I260-Q264 WeakPolarHBondContact O-CG 3.44Å; I260-Q264 PolarHBondContact O-N 3.33Å; Q261-Q264 PolarHBondContact O-N 3.38Å; Q261-Q264 VanDerWaalsContact O-N 3.1Å; Y262-Q264 VanDerWaalsContact C-N 3.27Å; Y262-Q264 PolarHBondContact O-N 3.16Å; Q264-K266 VanDerWaalsContact C-N 3.34Å; Q264-N268 WeakPolarHBondContact O-CA 3.02Å; Q264-N268 PolarHBondContact O-N 2.96Å; Q264-V271 HydrophobicContact CG-CG2 4.16Å; Q264-N299 PolarHBondContact NE2-O 2.95Å; Q264-N299 VanDerWaalsContact OE1-N 3.08Å
265E96.7Very high97.7Very high158 Ų15850.4 Ų50.474%0.73823%0.231SC*.Hα-helixtrans-63.6-40.3175.3-73.5173.9-174.400111.6Q261 Y262Q261-E265 WeakPolarHBondContact O-CG 3.33Å; Q261-E265 PolarHBondContact O-N 3.45Å; Y262-E265 PolarHBondContact O-N 3Å
266K96.8Very high97.6Very high119 Ų11945.1 Ų45.152%0.51721%0.209SC..Hα-helixtrans-71.5-44.7177.8-73-59.1-163.6176.90113.4A221 Y262 Q264A221-K266 HydrophobicContact CB-CB 4.31Å; A221-K266 HydrophobicContact CB-CG 4.46Å; Y262-K266 HydrophobicContact CD1-CG 4.01Å; Y262-K266 HydrophobicContact CE1-CG 3.63Å; Y262-K266 HydrophobicContact CE2-CG 4.2Å; Y262-K266 HydrophobicContact CG-CG 4.48Å; Y262-K266 WeakPolarHBondContact O-CB 3.24Å; Y262-K266 WeakPolarHBondContact O-CG 3.45Å; Y262-K266 PolarHBondContact O-N 3.34Å; Y262-K266 WeakPolarHBondContact OH-CE 3.22Å; Q264-K266 VanDerWaalsContact C-N 3.34Å
267T96.1Very high97.4Very high38 Ų3845.1 Ų45.123%0.23321%0.209CC..Hα-helixtrans-104.4-19.2-166.969.40000113.8Y263 R269Y263-T267 HydrophobicContact CD2-CG2 4.24Å; Y263-T267 WeakPolarHBondContact CE1-OG1 3.18Å; Y263-T267 HydrophobicContact CE2-CG2 3.96Å; Y263-T267 WeakPolarHBondContact O-CB 3.33Å; Y263-T267 WeakPolarHBondContact O-CG2 3.45Å; Y263-T267 PolarHBondContact O-N 3.4Å; Y263-T267 PolarHBondContact O-OG1 2.85Å; T267-R269 WeakPolarHBondContact O-CG 3.44Å; T267-R269 PolarHBondContact O-N 2.76Å; T267-R269 VanDerWaalsContact O-N 3.16Å; T267-R269 WeakPolarHBondContact OG1-CB 3.44Å; T267-R269 PolarHBondContact OG1-N 2.81Å
268N95.3Very high97.2Very high139 Ų13944.6 Ų44.674%0.74321%0.206SC*.  trans54.123.7-168.2-166.433.7000113.6Q264Q264-N268 WeakPolarHBondContact O-CA 3.02Å; Q264-N268 PolarHBondContact O-N 2.96Å
269R96.1Very high97Very high43 Ų4340.9 Ų40.916%0.16219%0.193CC..PPolyproline II helixtrans-96.6148.3-176.5-61.9-176.570.777.52.9112.1Q226 I227 N228 Y263 T267Q226-R269 VanDerWaalsContact C-CZ 3.47Å; Q226-R269 VanDerWaalsContact O-CZ 3.26Å; Q226-R269 PolarHBondContact O-NH2 2.75Å; I227-R269 PolarHBondContact O-NE 2.92Å; I227-R269 PolarHBondContact O-NH2 3.44Å; N228-R269 PolarHBondContact OD1-NH2 3.24Å; N228-R269 VanDerWaalsContact OD1-NH2 3.11Å; Y263-R269 HydrophobicContact CE1-CB 4.13Å; T267-R269 WeakPolarHBondContact O-CG 3.44Å; T267-R269 PolarHBondContact O-N 2.76Å; T267-R269 VanDerWaalsContact O-N 3.16Å; T267-R269 WeakPolarHBondContact OG1-CB 3.44Å; T267-R269 PolarHBondContact OG1-N 2.81Å
270R97.2Very high96.7Very high133 Ų13343.5 Ų43.550%0.50222%0.22SC..PPolyproline II helixtrans-72133173.3-173.5177.169.3-172.8-0.1110.5N299R270-N299 VanDerWaalsContact CA-O 3.24Å; R270-N299 WeakPolarHBondContact CA-O 3.27Å; R270-N299 WeakPolarHBondContact CB-OD1 3.33Å; R270-N299 WeakPolarHBondContact CG-O 3.32Å; R270-N299 WeakPolarHBondContact CG-OD1 3.3Å
271V98.3Very high96.6Very high0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-98136.6173.2176.50000110.2F229 V231 I260 Y263 Q264 N299 C300 H301F229-V271 HydrophobicContact CD1-CG1 4.14Å; F229-V271 HydrophobicContact CD1-CG2 3.9Å; V231-V271 HydrophobicContact CG2-CG1 4Å; I260-V271 HydrophobicContact CG2-CB 4.35Å; I260-V271 HydrophobicContact CG2-CG1 4.42Å; I260-V271 HydrophobicContact CG2-CG2 4.13Å; Y263-V271 HydrophobicContact CD1-CG2 3.55Å; Y263-V271 HydrophobicContact CE1-CG2 3.7Å; Q264-V271 HydrophobicContact CG-CG2 4.16Å; V271-N299 PolarHBondContact N-O 2.93Å; V271-N299 VanDerWaalsContact N-O 3.1Å; V271-C300 CarbonylContact O-C 3.46Å; V271-C300 WeakPolarHBondContact O-CA 3.44Å; V271-C300 WeakPolarHBondContact O-CB 3.42Å; V271-H301 PolarHBondContact O-N 3.24Å
272T98.6Very high96.5Very high25 Ų2541 Ų4115%0.15321%0.21CC..EExtended strand (participates in β ladder)trans-95.9124173.5-59.30000110.1F229 A230 V231 H301 N303F229-T272 PolarHBondContact O-N 2.82Å; A230-T272 CarbonylContact C-O 3.41Å; A230-T272 WeakPolarHBondContact CA-O 3.31Å; V231-T272 PolarHBondContact N-O 3.23Å; T272-H301 CarbonylContact C-O 3.58Å; T272-H301 WeakPolarHBondContact CA-O 3.36Å; T272-N303 HydrophobicContact CG2-CB 3.84Å
273F98.7Very high96.4Very high0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-89.6116.1169-70.8-69.1000109.7V231 L233 I257 I260 I295 L298 C300 H301 V302 N303V231-F273 HydrophobicContact CB-CD1 4.08Å; V231-F273 HydrophobicContact CB-CE1 4.23Å; V231-F273 HydrophobicContact CG1-CD1 4.4Å; V231-F273 HydrophobicContact CG1-CE1 4.38Å; V231-F273 WeakPolarHBondContact O-CA 3.38Å; L233-F273 HydrophobicContact CB-CD1 3.89Å; L233-F273 HydrophobicContact CD2-CD1 3.83Å; L233-F273 HydrophobicContact CD2-CE1 4.15Å; L233-F273 HydrophobicContact CD2-CG 4.29Å; L233-F273 HydrophobicContact CG-CD1 4.43Å; I257-F273 HydrophobicContact CD1-CE1 4.34Å; I257-F273 HydrophobicContact CD1-CZ 3.97Å; I260-F273 HydrophobicContact CD1-CE1 3.38Å; I260-F273 HydrophobicContact CD1-CZ 3.56Å; I260-F273 HydrophobicContact CG2-CZ 4.37Å; F273-I295 HydrophobicContact CD2-CD1 4.06Å; F273-I295 HydrophobicContact CD2-CG2 4.07Å; F273-I295 HydrophobicContact CE2-CB 3.99Å; F273-I295 HydrophobicContact CE2-CD1 4.39Å; F273-I295 HydrophobicContact CE2-CG2 3.6Å; F273-I295 HydrophobicContact CZ-CG2 3.91Å; F273-L298 HydrophobicContact CE2-CD1 4.25Å; F273-L298 HydrophobicContact CZ-CD1 4.22Å; F273-C300 HydrophobicContact CD2-CB 3.87Å; F273-C300 HydrophobicContact CE2-CB 3.73Å; F273-H301 PolarHBondContact N-O 3Å; F273-V302 HydrophobicContact CB-CG2 4.45Å; F273-N303 PolarHBondContact O-N 3.02Å
274E98.1Very high96.4Very high9 Ų942 Ų424%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-81120.5170.7-60.6-64.8166.900108.4M174 A230 V231 L233 H234 N303 I305 R340M174-E274 HydrophobicContact CE-CG 3.75Å; A230-E274 HydrophobicContact CB-CG 4.13Å; V231-E274 PolarHBondContact O-N 2.73Å; L233-E274 PolarHBondContact N-O 3.46Å; H234-E274 PolarHBondContact N-O 3.41Å; E274-N303 PolarHBondContact OE1-ND2 3.27Å; E274-N303 WeakPolarHBondContact OE2-CB 3.26Å; E274-N303 PolarHBondContact OE2-ND2 2.87Å; E274-I305 HydrophobicContact CB-CD1 4.23Å; E274-I305 WeakPolarHBondContact OE2-CD1 3.3Å; E274-R340 IonicContact OE1-NH2 2.83Å; E274-R340 PolarHBondContact OE1-NH2 2.77Å; E274-R340 VanDerWaalsContact OE1-NH2 3.08Å; E274-R340 IonicContact OE2-CZ 3.38Å; E274-R340 IonicContact OE2-NE 3.16Å; E274-R340 IonicContact OE2-NH2 2.73Å; E274-R340 PolarHBondContact OE2-NH2 3.28Å
275Y97.9Very high96.4Very high0 Ų044 Ų440%023%0.229CC..EExtended strand (participates in β ladder)trans-132.992.4-172.8-160.4-78.3000110.4H234 L277 N282 L291 N303 L304 I305 F326H234-Y275 VanDerWaalsContact C-CE2 3.43Å; Y275-L277 HydrophobicContact CD1-CD2 3.96Å; Y275-L277 HydrophobicContact CE1-CD2 3.88Å; Y275-N282 VanDerWaalsContact CE1-ND2 3.3Å; Y275-N282 WeakPolarHBondContact CE1-ND2 3.17Å; Y275-N282 PolarHBondContact OH-O 3.05Å; Y275-L291 HydrophobicContact CD2-CD1 4.14Å; Y275-L291 HydrophobicContact CD2-CD2 3.61Å; Y275-L291 HydrophobicContact CD2-CG 4.49Å; Y275-L291 HydrophobicContact CE2-CD1 4.08Å; Y275-L291 HydrophobicContact CE2-CD2 3.74Å; Y275-L291 HydrophobicContact CE2-CG 4.36Å; Y275-L291 HydrophobicContact CG-CD2 4.07Å; Y275-N303 PolarHBondContact N-O 2.93Å; Y275-L304 HydrophobicContact CD1-CD2 4.15Å; Y275-L304 WeakPolarHBondContact O-CA 3.5Å; Y275-I305 PolarHBondContact O-N 2.73Å; Y275-F326 HydrophobicContact CD1-CE1 4.48Å; Y275-F326 HydrophobicContact CD1-CZ 4.41Å; Y275-F326 HydrophobicContact CE1-CE1 4.26Å; Y275-F326 AromaticContact CE1-CZ 3.76Å; Y275-F326 HydrophobicContact CE1-CZ 3.76Å
276G95.5Very high96.5Very high1 Ų141.2 Ų41.21%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-67.2128.6171.500000111.7H234 F278 N282 I305H234-G276 PolarHBondContact CE1-N 2.95Å; H234-G276 WeakPolarHBondContact ND1-CA 3.33Å; H234-G276 PolarHBondContact ND1-N 2.92Å; G276-F278 VanDerWaalsContact O-CD2 3.29Å; G276-F278 WeakPolarHBondContact O-CD2 3.29Å; G276-F278 WeakPolarHBondContact O-CE2 3.3Å; G276-N282 PolarHBondContact O-ND2 2.85Å; G276-I305 WeakPolarHBondContact CA-O 3.33Å
277L96Very high96.6Very high0 Ų036.6 Ų36.60%020%0.196CC..EExtended strand (participates in β ladder)trans-94.1111175.5-66.3169.7000109.4Y275 D283 L304 I305 V307 T318 I323 F326Y275-L277 HydrophobicContact CD1-CD2 3.96Å; Y275-L277 HydrophobicContact CE1-CD2 3.88Å; L277-D283 HydrophobicContact CB-CB 4.3Å; L277-D283 HydrophobicContact CD2-CB 4.09Å; L277-L304 HydrophobicContact CD1-CB 4.22Å; L277-L304 HydrophobicContact CD1-CD2 4.28Å; L277-L304 HydrophobicContact CD2-CD2 4.39Å; L277-L304 HydrophobicContact CG-CD2 4.38Å; L277-I305 PolarHBondContact N-O 2.94Å; L277-V307 WeakPolarHBondContact O-CG2 3.47Å; L277-T318 PolarHBondContact O-OG1 3.25Å; L277-I323 HydrophobicContact CD1-CB 4.1Å; L277-I323 HydrophobicContact CD1-CG1 3.86Å; L277-I323 HydrophobicContact CD1-CG2 3.76Å; L277-F326 HydrophobicContact CD2-CD1 4.13Å; L277-F326 HydrophobicContact CD2-CD2 3.89Å; L277-F326 HydrophobicContact CD2-CE1 4.13Å; L277-F326 HydrophobicContact CD2-CE2 3.87Å; L277-F326 HydrophobicContact CD2-CG 4.01Å; L277-F326 HydrophobicContact CD2-CZ 4Å
278F94.4Very high96.7Very high1 Ų134.8 Ų34.80%0.00419%0.185CC..BIsolated β-bridgetrans-105.8119.1-179.8-56.2-83.8000108.8F133 H234 L244 G276 G280 V281 N282 V307 Y315F133-F278 HydrophobicContact CB-CD1 4.29Å; F133-F278 HydrophobicContact CB-CE1 3.31Å; F133-F278 HydrophobicContact CB-CZ 3.73Å; F133-F278 AromaticContact CD1-CE1 3.93Å; F133-F278 HydrophobicContact CD1-CE1 3.93Å; F133-F278 HydrophobicContact CD1-CE2 4.15Å; F133-F278 AromaticContact CD1-CZ 3.41Å; F133-F278 HydrophobicContact CD1-CZ 3.41Å; F133-F278 VanDerWaalsContact CD1-CZ 3.41Å; F133-F278 HydrophobicContact CD2-CE1 4.15Å; F133-F278 AromaticContact CD2-CZ 3.83Å; F133-F278 HydrophobicContact CD2-CZ 3.83Å; F133-F278 HydrophobicContact CE1-CE2 4.39Å; F133-F278 AromaticContact CE1-CZ 3.9Å; F133-F278 HydrophobicContact CE1-CZ 3.9Å; F133-F278 HydrophobicContact CE2-CZ 4.27Å; F133-F278 AromaticContact CG-CE1 3.54Å; F133-F278 HydrophobicContact CG-CE1 3.54Å; F133-F278 HydrophobicContact CG-CE2 4.48Å; F133-F278 AromaticContact CG-CZ 3.36Å; F133-F278 HydrophobicContact CG-CZ 3.36Å; F133-F278 HydrophobicContact CZ-CZ 4.3Å; H234-F278 HydrophobicContact CB-CE2 4.32Å; H234-F278 AromaticContact ND1-CE2 3.78Å; L244-F278 HydrophobicContact CD1-CD2 3.93Å; L244-F278 HydrophobicContact CD1-CE2 3.98Å; L244-F278 HydrophobicContact CD2-CD2 3.93Å; L244-F278 HydrophobicContact CD2-CE2 4.05Å; L244-F278 HydrophobicContact CD2-CG 4.29Å; L244-F278 HydrophobicContact CD2-CZ 4.5Å; G276-F278 VanDerWaalsContact O-CD2 3.29Å; G276-F278 WeakPolarHBondContact O-CD2 3.29Å; G276-F278 WeakPolarHBondContact O-CE2 3.3Å; F278-G280 PolarHBondContact O-N 3.27Å; F278-V281 HydrophobicContact CB-CB 3.93Å; F278-V281 HydrophobicContact CB-CG2 4.23Å; F278-V281 PolarHBondContact O-N 2.87Å; F278-N282 WeakPolarHBondContact CB-OD1 3.28Å; F278-N282 WeakPolarHBondContact CD2-OD1 3.5Å; F278-N282 PolarHBondContact N-OD1 3.07Å; F278-N282 PolarHBondContact O-N 2.94Å; F278-N282 PolarHBondContact O-OD1 3.49Å; F278-V307 HydrophobicContact CD1-CB 4.02Å; F278-V307 HydrophobicContact CD1-CG1 3.76Å; F278-V307 HydrophobicContact CD1-CG2 3.66Å; F278-V307 HydrophobicContact CD2-CG2 4.46Å; F278-V307 HydrophobicContact CE1-CB 4.01Å; F278-V307 HydrophobicContact CE1-CG1 3.57Å; F278-V307 HydrophobicContact CE1-CG2 3.4Å; F278-V307 HydrophobicContact CE2-CG2 4.26Å; F278-V307 HydrophobicContact CG-CG2 4.17Å; F278-V307 HydrophobicContact CZ-CG2 3.72Å; F278-Y315 HydrophobicContact CB-CD1 4Å; F278-Y315 AromaticContact CD1-CD1 3.69Å; F278-Y315 HydrophobicContact CD1-CD1 3.69Å; F278-Y315 HydrophobicContact CD1-CD2 4.46Å; F278-Y315 HydrophobicContact CD1-CE1 4.37Å; F278-Y315 AromaticContact CD1-CG 3.75Å; F278-Y315 HydrophobicContact CD1-CG 3.75Å; F278-Y315 HydrophobicContact CE1-CG 4.34Å; F278-Y315 HydrophobicContact CG-CD1 4.07Å
279G92.9Very high96.9Very high17 Ų1733.6 Ų33.618%0.17517%0.17CC..THydrogen-bonded Turntrans-55.5119.3-172.500000113V281 D283 V316 T318G279-V281 VanDerWaalsContact C-N 3.27Å; G279-V281 PolarHBondContact O-N 3.05Å; G279-D283 VanDerWaalsContact CA-OD2 3.28Å; G279-D283 WeakPolarHBondContact CA-OD2 3.45Å; G279-V316 PolarHBondContact N-O 3.24Å; G279-T318 PolarHBondContact N-OG1 3.3Å
280G93.2Very high97Very high55 Ų5533.5 Ų33.557%0.56717%0.172SC*.THydrogen-bonded Turntrans79.2-0.1179.500000115.1F278 D283 Q284F278-G280 PolarHBondContact O-N 3.27Å; G280-D283 WeakPolarHBondContact CA-OD1 3.47Å; G280-D283 PolarHBondContact N-OD1 2.87Å; G280-D283 PolarHBondContact N-OD2 3.41Å; G280-Q284 PolarHBondContact O-NE2 2.81Å
281V95Very high97.1Very high31 Ų3127.1 Ų27.119%0.18815%0.148CC..THydrogen-bonded Turntrans-108.1-46.9-174.7-179.30000112.4V240 L244 F278 G279 Y315V240-V281 HydrophobicContact CG1-CG1 4.13Å; L244-V281 HydrophobicContact CD1-CG1 4.46Å; L244-V281 HydrophobicContact CD2-CG1 4.15Å; L244-V281 HydrophobicContact CG-CG1 4.47Å; F278-V281 HydrophobicContact CB-CB 3.93Å; F278-V281 HydrophobicContact CB-CG2 4.23Å; F278-V281 PolarHBondContact O-N 2.87Å; G279-V281 VanDerWaalsContact C-N 3.27Å; G279-V281 PolarHBondContact O-N 3.05Å; V281-Y315 HydrophobicContact CG2-CD1 4.33Å; V281-Y315 HydrophobicContact CG2-CE1 4.25Å
282N96.5Very high97.1Very high0 Ų027.4 Ų27.40%015%0.15CC..SBendtrans-148.921.7-173.674.4-31.2000113H234 V240 Y275 G276 F278 H287H234-N282 PolarHBondContact O-ND2 3.42Å; V240-N282 HydrophobicContact CG1-CB 4.14Å; Y275-N282 VanDerWaalsContact CE1-ND2 3.3Å; Y275-N282 WeakPolarHBondContact CE1-ND2 3.17Å; Y275-N282 PolarHBondContact OH-O 3.05Å; G276-N282 PolarHBondContact O-ND2 2.85Å; F278-N282 WeakPolarHBondContact CB-OD1 3.28Å; F278-N282 WeakPolarHBondContact CD2-OD1 3.5Å; F278-N282 PolarHBondContact N-OD1 3.07Å; F278-N282 PolarHBondContact O-N 2.94Å; F278-N282 PolarHBondContact O-OD1 3.49Å; N282-H287 VanDerWaalsContact C-ND1 3.35Å; N282-H287 WeakPolarHBondContact CA-ND1 3.18Å; N282-H287 WeakPolarHBondContact O-CB 3.35Å
283D96.5Very high97Very high18 Ų1833.5 Ų33.510%0.09618%0.176CC..  trans-115-1.9-167.272.4-28.8000114.5L277 G279 G280 T318 F326L277-D283 HydrophobicContact CB-CB 4.3Å; L277-D283 HydrophobicContact CD2-CB 4.09Å; G279-D283 VanDerWaalsContact CA-OD2 3.28Å; G279-D283 WeakPolarHBondContact CA-OD2 3.45Å; G280-D283 WeakPolarHBondContact CA-OD1 3.47Å; G280-D283 PolarHBondContact N-OD1 2.87Å; G280-D283 PolarHBondContact N-OD2 3.41Å; D283-T318 HydrophobicContact CB-CG2 3.82Å; D283-T318 WeakPolarHBondContact CB-OG1 3.16Å; D283-T318 VanDerWaalsContact CG-OG1 3.32Å; D283-T318 WeakPolarHBondContact OD2-CB 3.38Å; D283-T318 WeakPolarHBondContact OD2-CG2 3.39Å; D283-T318 PolarHBondContact OD2-OG1 2.89Å; D283-F326 WeakPolarHBondContact O-CD2 3.44Å
284Q97.6Very high97Very high69 Ų6935.7 Ų35.732%0.32219%0.188SC..SBendtrans-72.3156172-60.284.7-14.200111.8G280 E286 H287 A288 F326G280-Q284 PolarHBondContact O-NE2 2.81Å; Q284-E286 HydrophobicContact CB-CG 4.12Å; Q284-E286 PolarHBondContact O-N 3.35Å; Q284-E286 VanDerWaalsContact O-N 3.14Å; Q284-H287 PolarHBondContact N-ND1 2.76Å; Q284-H287 WeakPolarHBondContact O-CB 3.49Å; Q284-H287 PolarHBondContact O-N 3.08Å; Q284-H287 PolarHBondContact OE1-CE1 3.44Å; Q284-H287 PolarHBondContact OE1-ND1 2.66Å; Q284-A288 PolarHBondContact O-N 2.73Å; Q284-F326 WeakPolarHBondContact O-CE2 3.44Å
285L98Very high97Very high68 Ų6835.2 Ų35.236%0.35619%0.186SC..Hα-helixtrans-60.5-25.5-178.8-72.4-178.9000114.4H287 A288 R289 K325 E329L285-H287 VanDerWaalsContact C-N 3.34Å; L285-A288 PolarHBondContact O-N 2.72Å; L285-R289 PolarHBondContact O-N 2.9Å; L285-R289 VanDerWaalsContact O-N 3.15Å; L285-K325 HydrophobicContact CD2-CB 4.07Å; L285-E329 HydrophobicContact CD2-CB 3.81Å; L285-E329 HydrophobicContact CD2-CG 4.24Å
286E98.3Very high96.9Very high100 Ų10043.1 Ų43.147%0.46722%0.22SC..Hα-helixtrans-64.1-39.8173.765.5-167.116800111.9Q284 A288 R289 E290Q284-E286 HydrophobicContact CB-CG 4.12Å; Q284-E286 PolarHBondContact O-N 3.35Å; Q284-E286 VanDerWaalsContact O-N 3.14Å; E286-A288 VanDerWaalsContact C-N 3.32Å; E286-A288 PolarHBondContact O-N 3.43Å; E286-R289 WeakPolarHBondContact O-CB 3.25Å; E286-R289 PolarHBondContact O-N 2.82Å; E286-R289 VanDerWaalsContact O-N 3.13Å; E286-E290 VanDerWaalsContact O-CG 3.31Å; E286-E290 WeakPolarHBondContact O-CG 3.44Å; E286-E290 PolarHBondContact O-N 3.19Å
287H98.5Very high96.9Very high21 Ų2146.9 Ų46.910%0.09726%0.259CS..Hα-helixtrans-65.8-34.6175.6-57.9118.8000112N282 Q284 L285 R289 E290 L291 F326N282-H287 VanDerWaalsContact C-ND1 3.35Å; N282-H287 WeakPolarHBondContact CA-ND1 3.18Å; N282-H287 WeakPolarHBondContact O-CB 3.35Å; Q284-H287 PolarHBondContact N-ND1 2.76Å; Q284-H287 WeakPolarHBondContact O-CB 3.49Å; Q284-H287 PolarHBondContact O-N 3.08Å; Q284-H287 PolarHBondContact OE1-CE1 3.44Å; Q284-H287 PolarHBondContact OE1-ND1 2.66Å; L285-H287 VanDerWaalsContact C-N 3.34Å; H287-R289 VanDerWaalsContact C-N 3.35Å; H287-E290 IonicContact CD2-OE2 3.58Å; H287-E290 PolarHBondContact O-N 3.41Å; H287-L291 VanDerWaalsContact O-CB 3.28Å; H287-L291 WeakPolarHBondContact O-CB 3.49Å; H287-L291 PolarHBondContact O-N 2.82Å; H287-F326 HydrophobicContact CB-CE2 3.97Å; H287-F326 HydrophobicContact CB-CZ 4.35Å
288A98.5Very high97Very high0 Ų048 Ų480%027%0.265CS..Hα-helixtrans-62.6-42172.100000111.6Q284 L285 E286 A292 F326 E329 L330Q284-A288 PolarHBondContact O-N 2.73Å; L285-A288 PolarHBondContact O-N 2.72Å; E286-A288 VanDerWaalsContact C-N 3.32Å; E286-A288 PolarHBondContact O-N 3.43Å; A288-A292 WeakPolarHBondContact O-CB 3.41Å; A288-A292 PolarHBondContact O-N 3.46Å; A288-F326 VanDerWaalsContact CA-CZ 3.45Å; A288-F326 HydrophobicContact CB-CD1 3.88Å; A288-F326 HydrophobicContact CB-CD2 3.8Å; A288-F326 HydrophobicContact CB-CE1 3.78Å; A288-F326 HydrophobicContact CB-CE2 3.71Å; A288-F326 HydrophobicContact CB-CG 3.9Å; A288-F326 HydrophobicContact CB-CZ 3.7Å; A288-E329 HydrophobicContact CB-CB 4.15Å; A288-E329 HydrophobicContact CB-CG 3.98Å; A288-L330 HydrophobicContact CB-CD2 4.25Å; A288-L330 HydrophobicContact CB-CG 4.35Å; A288-L330 VanDerWaalsContact O-CD2 3.28Å; A288-L330 WeakPolarHBondContact O-CD2 3.49Å
289R98.7Very high97.1Very high115 Ų11551.6 Ų51.643%0.43428%0.284SS..Hα-helixtrans-66.3-42.5176.4-73-175.1-73.4-91.13.6112.3L285 E286 H287 A292 H293 E329 L333L285-R289 PolarHBondContact O-N 2.9Å; L285-R289 VanDerWaalsContact O-N 3.15Å; E286-R289 WeakPolarHBondContact O-CB 3.25Å; E286-R289 PolarHBondContact O-N 2.82Å; E286-R289 VanDerWaalsContact O-N 3.13Å; H287-R289 VanDerWaalsContact C-N 3.35Å; R289-A292 PolarHBondContact O-N 2.96Å; R289-H293 WeakPolarHBondContact O-CB 3.35Å; R289-H293 PolarHBondContact O-N 2.74Å; R289-E329 HydrophobicContact CG-CG 4.22Å; R289-E329 VanDerWaalsContact CG-OE1 3.3Å; R289-E329 WeakPolarHBondContact CG-OE1 3.36Å; R289-E329 IonicContact NH1-OE1 3.47Å; R289-E329 PolarHBondContact NH1-OE1 2.69Å; R289-L333 HydrophobicContact CB-CD1 4.42Å; R289-L333 HydrophobicContact CG-CD1 3.91Å
290E98.6Very high97.3Very high40 Ų4051.2 Ų51.219%0.18728%0.279CS..Hα-helixtrans-61.9-46.3175.8-70.3169.2179.600111.5A236 K237 E286 H287 H293 L294A236-E290 HydrophobicContact CB-CB 3.95Å; K237-E290 WeakPolarHBondContact CD-OE2 3.42Å; K237-E290 WeakPolarHBondContact CE-OE1 3Å; K237-E290 IonicContact NZ-OE1 2.63Å; K237-E290 PolarHBondContact NZ-OE1 3.34Å; K237-E290 IonicContact NZ-OE2 3.97Å; E286-E290 VanDerWaalsContact O-CG 3.31Å; E286-E290 WeakPolarHBondContact O-CG 3.44Å; E286-E290 PolarHBondContact O-N 3.19Å; H287-E290 IonicContact CD2-OE2 3.58Å; H287-E290 PolarHBondContact O-N 3.41Å; E290-H293 PolarHBondContact O-N 2.94Å; E290-L294 WeakPolarHBondContact O-CB 3.17Å; E290-L294 PolarHBondContact O-N 3.24Å
291L98.6Very high97.6Very high0 Ų049.8 Ų49.80%026%0.257CS..Hα-helixtrans-59.6-48.5175.4178.761.2000111.2L233 A236 Y275 H287 H293 L294 I295 V302 F326 L330L233-L291 HydrophobicContact CD2-CD1 3.53Å; A236-L291 HydrophobicContact CB-CB 4.21Å; Y275-L291 HydrophobicContact CD2-CD1 4.14Å; Y275-L291 HydrophobicContact CD2-CD2 3.61Å; Y275-L291 HydrophobicContact CD2-CG 4.49Å; Y275-L291 HydrophobicContact CE2-CD1 4.08Å; Y275-L291 HydrophobicContact CE2-CD2 3.74Å; Y275-L291 HydrophobicContact CE2-CG 4.36Å; Y275-L291 HydrophobicContact CG-CD2 4.07Å; H287-L291 VanDerWaalsContact O-CB 3.28Å; H287-L291 WeakPolarHBondContact O-CB 3.49Å; H287-L291 PolarHBondContact O-N 2.82Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 3.18Å; L291-L294 PolarHBondContact O-N 2.65Å; L291-I295 HydrophobicContact CD1-CD1 4.06Å; L291-I295 HydrophobicContact CD1-CG2 4.2Å; L291-I295 HydrophobicContact CG-CD1 4.12Å; L291-I295 WeakPolarHBondContact O-CG1 3.36Å; L291-I295 PolarHBondContact O-N 2.81Å; L291-I295 VanDerWaalsContact O-N 3.12Å; L291-V302 HydrophobicContact CD2-CG1 4.04Å; L291-V302 HydrophobicContact CD2-CG2 4.26Å; L291-F326 HydrophobicContact CD2-CE1 4.32Å; L291-L330 HydrophobicContact CB-CD2 4.38Å; L291-L330 HydrophobicContact CD2-CD1 4.23Å; L291-L330 HydrophobicContact CD2-CD2 4.11Å; L291-L330 HydrophobicContact CG-CD2 4.31Å
292A98.5Very high97.8Very high6 Ų648.3 Ų48.35%0.0525%0.248CC..Hα-helixtrans-62.6-35.1179.100000113A288 R289 K296 L330 L333 I335A288-A292 WeakPolarHBondContact O-CB 3.41Å; A288-A292 PolarHBondContact O-N 3.46Å; R289-A292 PolarHBondContact O-N 2.96Å; A292-K296 WeakPolarHBondContact O-CB 3.49Å; A292-K296 PolarHBondContact O-N 3.28Å; A292-L330 HydrophobicContact CB-CD2 4.06Å; A292-L333 HydrophobicContact CB-CB 3.84Å; A292-L333 HydrophobicContact CB-CD1 3.58Å; A292-L333 HydrophobicContact CB-CG 4.35Å; A292-I335 HydrophobicContact CB-CG1 3.69Å
293H98.3Very high97.9Very high153 Ų15349.3 Ų49.371%0.70825%0.253SS*.Hα-helixtrans-67.1-46.2174.6-177.868.4000111.7R289 E290 L291 I295 K296R289-H293 WeakPolarHBondContact O-CB 3.35Å; R289-H293 PolarHBondContact O-N 2.74Å; E290-H293 PolarHBondContact O-N 2.94Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 3.18Å; H293-I295 PolarHBondContact O-N 3.4Å; H293-K296 WeakPolarHBondContact O-CB 3.42Å; H293-K296 PolarHBondContact O-N 3.11Å
294L98.4Very high97.9Very high45 Ų4548.5 Ų48.524%0.23625%0.249CC..Hα-helixtrans-60.1-46.2-178176.370.4000113L233 A236 V253 I257 E290 L291L233-L294 HydrophobicContact CD2-CD2 4.17Å; A236-L294 HydrophobicContact CB-CB 4.34Å; A236-L294 HydrophobicContact CB-CD2 3.9Å; V253-L294 HydrophobicContact CG1-CD1 3.59Å; V253-L294 HydrophobicContact CG1-CD2 3.33Å; V253-L294 HydrophobicContact CG1-CG 4.06Å; I257-L294 HydrophobicContact CD1-CD2 4.3Å; I257-L294 HydrophobicContact CD1-CG 4.18Å; I257-L294 HydrophobicContact CG1-CD1 3.76Å; I257-L294 HydrophobicContact CG1-CD2 4.34Å; I257-L294 HydrophobicContact CG1-CG 3.95Å; E290-L294 WeakPolarHBondContact O-CB 3.17Å; E290-L294 PolarHBondContact O-N 3.24Å; L291-L294 PolarHBondContact O-N 2.65Å
295I97.9Very high97.7Very high0 Ų046.9 Ų46.90%024%0.242CC..THydrogen-bonded Turntrans-97.410.9-173.173.5-171.7000112.8I257 F273 L291 H293 G297 L298 V302 I335I257-I295 HydrophobicContact CD1-CG2 4.25Å; F273-I295 HydrophobicContact CD2-CD1 4.06Å; F273-I295 HydrophobicContact CD2-CG2 4.07Å; F273-I295 HydrophobicContact CE2-CB 3.99Å; F273-I295 HydrophobicContact CE2-CD1 4.39Å; F273-I295 HydrophobicContact CE2-CG2 3.6Å; F273-I295 HydrophobicContact CZ-CG2 3.91Å; L291-I295 HydrophobicContact CD1-CD1 4.06Å; L291-I295 HydrophobicContact CD1-CG2 4.2Å; L291-I295 HydrophobicContact CG-CD1 4.12Å; L291-I295 WeakPolarHBondContact O-CG1 3.36Å; L291-I295 PolarHBondContact O-N 2.81Å; L291-I295 VanDerWaalsContact O-N 3.12Å; H293-I295 PolarHBondContact O-N 3.4Å; I295-G297 PolarHBondContact O-N 2.8Å; I295-L298 HydrophobicContact CB-CD1 4.11Å; I295-L298 HydrophobicContact CG2-CD1 4.45Å; I295-L298 WeakPolarHBondContact O-CB 3.42Å; I295-L298 PolarHBondContact O-N 2.7Å; I295-V302 HydrophobicContact CD1-CG2 3.5Å; I295-V302 VanDerWaalsContact CD1-CG2 3.5Å; I295-I335 HydrophobicContact CD1-CD1 4.5Å; I295-I335 HydrophobicContact CD1-CG2 3.97Å; I295-I335 HydrophobicContact CG1-CD1 3.98Å
296K96.1Very high97.3Very high165 Ų16544.1 Ų44.172%0.71723%0.228SC*.THydrogen-bonded Turntrans-59.9130.4-178-170.4177.1178.2-1770110.6A292 H293 L298A292-K296 WeakPolarHBondContact O-CB 3.49Å; A292-K296 PolarHBondContact O-N 3.28Å; H293-K296 WeakPolarHBondContact O-CB 3.42Å; H293-K296 PolarHBondContact O-N 3.11Å; K296-L298 VanDerWaalsContact C-N 3.26Å; K296-L298 PolarHBondContact O-N 2.99Å
297G94.6Very high96.6Very high80 Ų8040.1 Ų40.183%0.82521%0.211SC*.THydrogen-bonded Turntrans85.2-11.217800000114.6I295I295-G297 PolarHBondContact O-N 2.8Å
298L97.4Very high95.4Very high25 Ų2541.6 Ų41.613%0.13122%0.219CC..SBendtrans-73.3142.7171.7-59.2-177.2000110.6I257 I260 Q261 F273 I295 K296 C300I257-L298 HydrophobicContact CD1-CD1 4.25Å; I257-L298 HydrophobicContact CG2-CD1 4.16Å; I260-L298 HydrophobicContact CG2-CD1 4.29Å; Q261-L298 HydrophobicContact CG-CD2 3.66Å; F273-L298 HydrophobicContact CE2-CD1 4.25Å; F273-L298 HydrophobicContact CZ-CD1 4.22Å; I295-L298 HydrophobicContact CB-CD1 4.11Å; I295-L298 HydrophobicContact CG2-CD1 4.45Å; I295-L298 WeakPolarHBondContact O-CB 3.42Å; I295-L298 PolarHBondContact O-N 2.7Å; K296-L298 VanDerWaalsContact C-N 3.26Å; K296-L298 PolarHBondContact O-N 2.99Å; L298-C300 VanDerWaalsContact C-N 3.26Å; L298-C300 HydrophobicContact CB-CB 4.22Å; L298-C300 PolarHBondContact O-N 2.84Å
299N97.1Very high94.3Very high76 Ų7647.4 Ų47.441%0.40625%0.246SC..SBendtrans-7383.6168.5-179.19000108.8Q264 R270 V271Q264-N299 PolarHBondContact NE2-O 2.95Å; Q264-N299 VanDerWaalsContact OE1-N 3.08Å; R270-N299 VanDerWaalsContact CA-O 3.24Å; R270-N299 WeakPolarHBondContact CA-O 3.27Å; R270-N299 WeakPolarHBondContact CB-OD1 3.33Å; R270-N299 WeakPolarHBondContact CG-O 3.32Å; R270-N299 WeakPolarHBondContact CG-OD1 3.3Å; V271-N299 PolarHBondContact N-O 2.93Å; V271-N299 VanDerWaalsContact N-O 3.1Å
300C98.2Very high93Very high9 Ų942.6 Ų42.66%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-134.5166-171.667.20000113.9V271 F273 L298V271-C300 CarbonylContact O-C 3.46Å; V271-C300 WeakPolarHBondContact O-CA 3.44Å; V271-C300 WeakPolarHBondContact O-CB 3.42Å; F273-C300 HydrophobicContact CD2-CB 3.87Å; F273-C300 HydrophobicContact CE2-CB 3.73Å; L298-C300 VanDerWaalsContact C-N 3.26Å; L298-C300 HydrophobicContact CB-CB 4.22Å; L298-C300 PolarHBondContact O-N 2.84Å
301H98.5Very high91.6Very high25 Ų2545 Ų4512%0.11625%0.249CC..EExtended strand (participates in β ladder)trans-132.2138.3171.4177.566000108.9V271 T272 F273 N336 T338V271-H301 PolarHBondContact O-N 3.24Å; T272-H301 CarbonylContact C-O 3.58Å; T272-H301 WeakPolarHBondContact CA-O 3.36Å; F273-H301 PolarHBondContact N-O 3Å; H301-N336 PolarHBondContact ND1-O 3.29Å; H301-T338 PolarHBondContact CE1-N 3.2Å; H301-T338 PolarHBondContact CE1-OG1 3.25Å; H301-T338 VanDerWaalsContact CE1-OG1 3.24Å; H301-T338 PolarHBondContact NE2-OG1 3.06Å
302V98.7Very high90.3Very high0 Ų049.5 Ų49.50%027%0.27CS..EExtended strand (participates in β ladder)trans-102.1118.4173.9-179.50000109.6F273 L291 I295 L304 L330 I335 N336 A337 T338F273-V302 HydrophobicContact CB-CG2 4.45Å; L291-V302 HydrophobicContact CD2-CG1 4.04Å; L291-V302 HydrophobicContact CD2-CG2 4.26Å; I295-V302 HydrophobicContact CD1-CG2 3.5Å; I295-V302 VanDerWaalsContact CD1-CG2 3.5Å; V302-L304 HydrophobicContact CG1-CD2 3.8Å; V302-L304 HydrophobicContact CG1-CG 4.19Å; V302-L330 HydrophobicContact CB-CD1 4.19Å; V302-L330 HydrophobicContact CG1-CD1 3.93Å; V302-L330 HydrophobicContact CG2-CD1 4.45Å; V302-I335 HydrophobicContact CB-CG2 4.49Å; V302-I335 HydrophobicContact CG2-CG2 3.65Å; V302-N336 PolarHBondContact N-O 3.35Å; V302-A337 HydrophobicContact CB-CB 4.13Å; V302-A337 CarbonylContact O-C 3.57Å; V302-A337 WeakPolarHBondContact O-CA 3.33Å; V302-T338 PolarHBondContact O-N 3.42Å
303N98.1Very high89.4Confident21 Ų2151.7 Ų51.711%0.11228%0.277CS..EExtended strand (participates in β ladder)trans-97.5101.6172.6-166.927.3000109.2T272 F273 E274 Y275 R340T272-N303 HydrophobicContact CG2-CB 3.84Å; F273-N303 PolarHBondContact O-N 3.02Å; E274-N303 PolarHBondContact OE1-ND2 3.27Å; E274-N303 WeakPolarHBondContact OE2-CB 3.26Å; E274-N303 PolarHBondContact OE2-ND2 2.87Å; Y275-N303 PolarHBondContact N-O 2.93Å; N303-R340 PolarHBondContact ND2-NE 2.77Å; N303-R340 PolarHBondContact ND2-NH2 3.46Å
304L98Very high88.8Confident0 Ų052.4 Ų52.40%029%0.286CS..EExtended strand (participates in β ladder)trans-77.3122.1179-62.7173.1000109.4Y275 L277 V302 F326 E327 L330 T338 I339 R340Y275-L304 HydrophobicContact CD1-CD2 4.15Å; Y275-L304 WeakPolarHBondContact O-CA 3.5Å; L277-L304 HydrophobicContact CD1-CB 4.22Å; L277-L304 HydrophobicContact CD1-CD2 4.28Å; L277-L304 HydrophobicContact CD2-CD2 4.39Å; L277-L304 HydrophobicContact CG-CD2 4.38Å; V302-L304 HydrophobicContact CG1-CD2 3.8Å; V302-L304 HydrophobicContact CG1-CG 4.19Å; L304-F326 HydrophobicContact CD1-CD1 4.09Å; L304-F326 HydrophobicContact CD2-CD1 3.73Å; L304-F326 HydrophobicContact CD2-CE1 3.77Å; L304-E327 HydrophobicContact CD1-CB 3.69Å; L304-E327 HydrophobicContact CD1-CG 4.12Å; L304-L330 HydrophobicContact CD1-CD1 4.4Å; L304-L330 HydrophobicContact CD2-CD1 4.16Å; L304-T338 PolarHBondContact N-O 2.86Å; L304-I339 HydrophobicContact CB-CG1 4.5Å; L304-I339 HydrophobicContact CD1-CG1 4.3Å; L304-R340 WeakPolarHBondContact O-CB 3.4Å; L304-R340 PolarHBondContact O-N 3.46Å
305I93.8Very high88.3Confident35 Ų3552.3 Ų52.318%0.17928%0.283CS..EExtended strand (participates in β ladder)trans-106.6115.2-178.6-49.7173.7000108.5E274 Y275 G276 L277 V307E274-I305 HydrophobicContact CB-CD1 4.23Å; E274-I305 WeakPolarHBondContact OE2-CD1 3.3Å; Y275-I305 PolarHBondContact O-N 2.73Å; G276-I305 WeakPolarHBondContact CA-O 3.33Å; L277-I305 PolarHBondContact N-O 2.94Å; I305-V307 PolarHBondContact O-N 3.27Å; I305-V307 VanDerWaalsContact O-N 3.12Å
306P89.1Confident87.9Confident10 Ų1056.7 Ų56.77%0.06531%0.309CS..EExtended strand (participates in β ladder)trans-62.7112.8164.1-14.428.7000108N308 I323 I339 E342P306-N308 PolarHBondContact O-N 3.31Å; P306-I323 HydrophobicContact CB-CD1 3.82Å; P306-I323 HydrophobicContact CG-CD1 4.01Å; P306-I339 HydrophobicContact CG-CG2 4.12Å; P306-E342 HydrophobicContact CB-CG 4.32Å; P306-E342 HydrophobicContact CG-CG 4.19Å
307V83.4Confident87.5Confident17 Ų1753.5 Ų53.510%0.10330%0.295CS..PPolyproline II helixtrans-72.1127.3-176.2171.90000109.5L277 F278 I305 K317L277-V307 WeakPolarHBondContact O-CG2 3.47Å; F278-V307 HydrophobicContact CD1-CB 4.02Å; F278-V307 HydrophobicContact CD1-CG1 3.76Å; F278-V307 HydrophobicContact CD1-CG2 3.66Å; F278-V307 HydrophobicContact CD2-CG2 4.46Å; F278-V307 HydrophobicContact CE1-CB 4.01Å; F278-V307 HydrophobicContact CE1-CG1 3.57Å; F278-V307 HydrophobicContact CE1-CG2 3.4Å; F278-V307 HydrophobicContact CE2-CG2 4.26Å; F278-V307 HydrophobicContact CG-CG2 4.17Å; F278-V307 HydrophobicContact CZ-CG2 3.72Å; I305-V307 PolarHBondContact O-N 3.27Å; I305-V307 VanDerWaalsContact O-N 3.12Å; V307-K317 WeakPolarHBondContact O-CB 3.41Å
308N74Confident87.4Confident51 Ų5149.9 Ų49.927%0.27326%0.257SS..PPolyproline II helixtrans-70.3148.9171.7-71.5-28.3000110.5P306 V310 E342P306-N308 PolarHBondContact O-N 3.31Å; N308-V310 PolarHBondContact O-N 3.1Å; N308-E342 PolarHBondContact OD1-OE1 3.12Å
309H74.8Confident87.2Confident123 Ų12351.2 Ų51.257%0.56927%0.272SS*.PPolyproline II helixtrans-65.2129.1171.6-17658.7000109.7Q353H309-Q353 PolarHBondContact O-NE2 3.31Å
310V70.5Confident87Confident13 Ų1355 Ų558%0.07929%0.285CS..  trans-112.9111.8172.2178.60000105.6A135 N308 E312 R313A135-V310 HydrophobicContact CB-CG1 4.27Å; N308-V310 PolarHBondContact O-N 3.1Å; V310-E312 VanDerWaalsContact CG1-OE2 3.28Å; V310-E312 WeakPolarHBondContact CG1-OE2 3.31Å; V310-E312 PolarHBondContact O-N 3.39Å; V310-E312 VanDerWaalsContact O-N 3.09Å; V310-R313 HydrophobicContact CB-CB 4.09Å; V310-R313 HydrophobicContact CB-CG 4.03Å; V310-R313 HydrophobicContact CG1-CB 4.22Å; V310-R313 HydrophobicContact CG1-CG 3.69Å; V310-R313 PolarHBondContact O-N 3.03Å
311P69.7Low87Confident92 Ų9260 Ų6060%0.59731%0.311SS*.THydrogen-bonded Turntrans-53.3-33.8-174.2-28.635.6000114.1R313P311-R313 VanDerWaalsContact C-N 3.25Å; P311-R313 PolarHBondContact O-N 3.15Å
312E72.1Confident86.9Confident94 Ų9461.8 Ų61.844%0.43932%0.321SS..THydrogen-bonded Turntrans-78.1-6.5-179.5-5680.2-17600113.4L138 V310L138-E312 HydrophobicContact CD1-CB 4.08Å; L138-E312 HydrophobicContact CD1-CG 3.91Å; V310-E312 VanDerWaalsContact CG1-OE2 3.28Å; V310-E312 WeakPolarHBondContact CG1-OE2 3.31Å; V310-E312 PolarHBondContact O-N 3.39Å; V310-E312 VanDerWaalsContact O-N 3.09Å
313R80Confident86.8Confident52 Ų5262.2 Ų62.220%0.19632%0.323CS..SBendtrans-126.4141.6-175.4-52.2-57.6-160.9163.2-4.1111.8T132 C134 T137 V310 P311 Y315T132-R313 WeakPolarHBondContact O-CD 3.44Å; T132-R313 WeakPolarHBondContact O-CG 3.28Å; T132-R313 VanDerWaalsContact O-CZ 3.31Å; T132-R313 PolarHBondContact O-NE 2.81Å; T132-R313 PolarHBondContact O-NH1 3.48Å; C134-R313 PolarHBondContact O-NE 2.8Å; C134-R313 PolarHBondContact O-NH2 2.9Å; C134-R313 VanDerWaalsContact O-NH2 3.08Å; T137-R313 PolarHBondContact OG1-NH2 3.33Å; V310-R313 HydrophobicContact CB-CB 4.09Å; V310-R313 HydrophobicContact CB-CG 4.03Å; V310-R313 HydrophobicContact CG1-CB 4.22Å; V310-R313 HydrophobicContact CG1-CG 3.69Å; V310-R313 PolarHBondContact O-N 3.03Å; P311-R313 VanDerWaalsContact C-N 3.25Å; P311-R313 PolarHBondContact O-N 3.15Å; R313-Y315 HydrophobicContact CB-CD2 4Å; R313-Y315 PolarHBondContact O-N 3.07Å
314N84.4Confident86.8Confident168 Ų16865.9 Ų65.990%0.89834%0.339SS*.  trans-85.642.5-176.2-62.3-31.7000113.3
315Y88.3Confident86.8Confident43 Ų4371 Ų7117%0.16936%0.361CS..  trans-107.3137.9176.2-66.1-72.7000111T132 F133 L244 F278 V281 R313T132-Y315 WeakPolarHBondContact CB-OH 3.28Å; T132-Y315 WeakPolarHBondContact O-CE2 3.3Å; T132-Y315 PolarHBondContact OG1-OH 3.09Å; F133-Y315 HydrophobicContact CB-CD2 3.73Å; F133-Y315 HydrophobicContact CB-CE2 3.83Å; F133-Y315 HydrophobicContact CB-CG 4.49Å; L244-Y315 HydrophobicContact CD2-CE1 3.64Å; F278-Y315 HydrophobicContact CB-CD1 4Å; F278-Y315 AromaticContact CD1-CD1 3.69Å; F278-Y315 HydrophobicContact CD1-CD1 3.69Å; F278-Y315 HydrophobicContact CD1-CD2 4.46Å; F278-Y315 HydrophobicContact CD1-CE1 4.37Å; F278-Y315 AromaticContact CD1-CG 3.75Å; F278-Y315 HydrophobicContact CD1-CG 3.75Å; F278-Y315 HydrophobicContact CE1-CG 4.34Å; F278-Y315 HydrophobicContact CG-CD1 4.07Å; V281-Y315 HydrophobicContact CG2-CD1 4.33Å; V281-Y315 HydrophobicContact CG2-CE1 4.25Å; R313-Y315 HydrophobicContact CB-CD2 4Å; R313-Y315 PolarHBondContact O-N 3.07Å
316V88.3Confident87Confident91 Ų9169.4 Ų69.455%0.55235%0.353SS*.  trans-109.3150.3177.2-63.70000110.1G279G279-V316 PolarHBondContact N-O 3.24Å
317K88.1Confident87.5Confident99 Ų9970.3 Ų70.343%0.4336%0.356SS..BIsolated β-bridgetrans-72.2132.6178.7-177.4172.2178.1171.20110.4V307 E342V307-K317 WeakPolarHBondContact O-CB 3.41Å; K317-E342 IonicContact NZ-OE1 3.6Å; K317-E342 PolarHBondContact NZ-OE1 3.37Å; K317-E342 IonicContact NZ-OE2 2.73Å; K317-E342 PolarHBondContact NZ-OE2 3.29Å
318T93.3Very high88.2Confident3 Ų377 Ų772%0.01838%0.384CS..PPolyproline II helixtrans-61.4137.1170.3-63.40000110.8L277 G279 D283 D322 I323L277-T318 PolarHBondContact O-OG1 3.25Å; G279-T318 PolarHBondContact N-OG1 3.3Å; D283-T318 HydrophobicContact CB-CG2 3.82Å; D283-T318 WeakPolarHBondContact CB-OG1 3.16Å; D283-T318 VanDerWaalsContact CG-OG1 3.32Å; D283-T318 WeakPolarHBondContact OD2-CB 3.38Å; D283-T318 WeakPolarHBondContact OD2-CG2 3.39Å; D283-T318 PolarHBondContact OD2-OG1 2.89Å; T318-D322 HydrophobicContact CG2-CB 3.95Å; T318-I323 HydrophobicContact CG2-CG1 3.59Å
319A93.4Very high89.3Confident54 Ų5475.6 Ų75.645%0.44638%0.375SS..PPolyproline II helixtrans-61.9139.2178.400000111.2N321 D322 I323A319-N321 VanDerWaalsContact C-N 3.25Å; A319-N321 PolarHBondContact O-N 3.44Å; A319-N321 VanDerWaalsContact O-N 3.1Å; A319-D322 WeakPolarHBondContact O-CA 3.41Å; A319-D322 PolarHBondContact O-N 3.46Å; A319-I323 PolarHBondContact O-N 3.05Å; A319-I323 VanDerWaalsContact O-N 3.1Å
320K93.4Very high90.5Very high155 Ų15569.8 Ų69.867%0.67435%0.348SS*.Hα-helixtrans-50.2-42.5-175.3-177.3174.8-179.3175.40113.5D322 I323 F324K320-D322 VanDerWaalsContact C-N 3.31Å; K320-D322 PolarHBondContact O-N 3.48Å; K320-I323 PolarHBondContact O-N 3.4Å; K320-F324 HydrophobicContact CD-CE2 4.19Å; K320-F324 HydrophobicContact CG-CD2 4.06Å; K320-F324 HydrophobicContact CG-CE2 3.6Å; K320-F324 WeakPolarHBondContact O-CD2 3.39Å; K320-F324 PolarHBondContact O-N 3.05Å
321N96.3Very high91.8Very high115 Ų11574.1 Ų74.162%0.61537%0.366SS*.Hα-helixtrans-65.3-33.9178.8-72.7-16.1000112.7A319 F324 K325A319-N321 VanDerWaalsContact C-N 3.25Å; A319-N321 PolarHBondContact O-N 3.44Å; A319-N321 VanDerWaalsContact O-N 3.1Å; N321-F324 PolarHBondContact O-N 3.42Å; N321-K325 WeakPolarHBondContact O-CG 3.41Å; N321-K325 PolarHBondContact O-N 3.27Å
322D97Very high93.2Very high61 Ų6177.2 Ų77.233%0.32637%0.366SS..Hα-helixtrans-77.6-32.8179.9-60.8-38.2000111.4T318 A319 K320 F324 K325 F326T318-D322 HydrophobicContact CG2-CB 3.95Å; A319-D322 WeakPolarHBondContact O-CA 3.41Å; A319-D322 PolarHBondContact O-N 3.46Å; K320-D322 VanDerWaalsContact C-N 3.31Å; K320-D322 PolarHBondContact O-N 3.48Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-F324 PolarHBondContact O-N 3.13Å; D322-K325 PolarHBondContact O-N 3.37Å; D322-K325 IonicContact OD1-NZ 2.89Å; D322-K325 PolarHBondContact OD1-NZ 2.92Å; D322-F326 WeakPolarHBondContact O-CB 3.24Å; D322-F326 PolarHBondContact O-N 2.96Å
323I96.8Very high94.4Very high9 Ų976 Ų765%0.04636%0.362CS..Hα-helixtrans-56.7-48168-57.1-177.5000110.7L277 P306 T318 A319 K320 K325 F326 E327 I339L277-I323 HydrophobicContact CD1-CB 4.1Å; L277-I323 HydrophobicContact CD1-CG1 3.86Å; L277-I323 HydrophobicContact CD1-CG2 3.76Å; P306-I323 HydrophobicContact CB-CD1 3.82Å; P306-I323 HydrophobicContact CG-CD1 4.01Å; T318-I323 HydrophobicContact CG2-CG1 3.59Å; A319-I323 PolarHBondContact O-N 3.05Å; A319-I323 VanDerWaalsContact O-N 3.1Å; K320-I323 PolarHBondContact O-N 3.4Å; I323-K325 PolarHBondContact O-N 3.4Å; I323-F326 WeakPolarHBondContact O-CB 3.47Å; I323-F326 PolarHBondContact O-N 3Å; I323-E327 PolarHBondContact O-N 3.42Å; I323-I339 HydrophobicContact CG2-CD1 3.7Å; I323-I339 HydrophobicContact CG2-CG1 3.77Å; I323-I339 HydrophobicContact CG2-CG2 3.93Å
324F97.6Very high95.2Very high99 Ų9976.3 Ų76.343%0.43438%0.382SS..Hα-helixtrans-65.4-37.3177.9-73.6-59.9000113K320 N321 D322 F326 K328 I339K320-F324 HydrophobicContact CD-CE2 4.19Å; K320-F324 HydrophobicContact CG-CD2 4.06Å; K320-F324 HydrophobicContact CG-CE2 3.6Å; K320-F324 WeakPolarHBondContact O-CD2 3.39Å; K320-F324 PolarHBondContact O-N 3.05Å; N321-F324 PolarHBondContact O-N 3.42Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-F324 PolarHBondContact O-N 3.13Å; F324-F326 VanDerWaalsContact C-N 3.34Å; F324-K328 VanDerWaalsContact O-CB 3.24Å; F324-K328 WeakPolarHBondContact O-CB 3.42Å; F324-K328 PolarHBondContact O-N 3.35Å; F324-I339 HydrophobicContact CD1-CD1 3.38Å; F324-I339 HydrophobicContact CE1-CD1 3.5Å; F324-I339 HydrophobicContact CG-CD1 4.26Å; F324-I339 HydrophobicContact CZ-CD1 4.46Å
325K98.3Very high95.9Very high108 Ų10868.9 Ų68.947%0.4734%0.342SS..Hα-helixtrans-63.6-41.9173.8-71.8172.8-163.7159.40111.2L285 N321 D322 I323 K328 E329L285-K325 HydrophobicContact CD2-CB 4.07Å; N321-K325 WeakPolarHBondContact O-CG 3.41Å; N321-K325 PolarHBondContact O-N 3.27Å; D322-K325 PolarHBondContact O-N 3.37Å; D322-K325 IonicContact OD1-NZ 2.89Å; D322-K325 PolarHBondContact OD1-NZ 2.92Å; I323-K325 PolarHBondContact O-N 3.4Å; K325-K328 PolarHBondContact O-N 2.78Å; K325-E329 WeakPolarHBondContact O-CB 3.44Å; K325-E329 PolarHBondContact O-N 3.15Å
326F98.6Very high96.3Very high1 Ų171.9 Ų71.90%0.00436%0.361CS..Hα-helixtrans-61.3-49.6176.9-161.2-77.5000111.4Y275 L277 D283 Q284 H287 A288 L291 L304 D322 I323 F324 K328 E329 L330Y275-F326 HydrophobicContact CD1-CE1 4.48Å; Y275-F326 HydrophobicContact CD1-CZ 4.41Å; Y275-F326 HydrophobicContact CE1-CE1 4.26Å; Y275-F326 AromaticContact CE1-CZ 3.76Å; Y275-F326 HydrophobicContact CE1-CZ 3.76Å; L277-F326 HydrophobicContact CD2-CD1 4.13Å; L277-F326 HydrophobicContact CD2-CD2 3.89Å; L277-F326 HydrophobicContact CD2-CE1 4.13Å; L277-F326 HydrophobicContact CD2-CE2 3.87Å; L277-F326 HydrophobicContact CD2-CG 4.01Å; L277-F326 HydrophobicContact CD2-CZ 4Å; D283-F326 WeakPolarHBondContact O-CD2 3.44Å; Q284-F326 WeakPolarHBondContact O-CE2 3.44Å; H287-F326 HydrophobicContact CB-CE2 3.97Å; H287-F326 HydrophobicContact CB-CZ 4.35Å; A288-F326 VanDerWaalsContact CA-CZ 3.45Å; A288-F326 HydrophobicContact CB-CD1 3.88Å; A288-F326 HydrophobicContact CB-CD2 3.8Å; A288-F326 HydrophobicContact CB-CE1 3.78Å; A288-F326 HydrophobicContact CB-CE2 3.71Å; A288-F326 HydrophobicContact CB-CG 3.9Å; A288-F326 HydrophobicContact CB-CZ 3.7Å; L291-F326 HydrophobicContact CD2-CE1 4.32Å; L304-F326 HydrophobicContact CD1-CD1 4.09Å; L304-F326 HydrophobicContact CD2-CD1 3.73Å; L304-F326 HydrophobicContact CD2-CE1 3.77Å; D322-F326 WeakPolarHBondContact O-CB 3.24Å; D322-F326 PolarHBondContact O-N 2.96Å; I323-F326 WeakPolarHBondContact O-CB 3.47Å; I323-F326 PolarHBondContact O-N 3Å; F324-F326 VanDerWaalsContact C-N 3.34Å; F326-K328 PolarHBondContact O-N 3.24Å; F326-E329 PolarHBondContact O-N 3.44Å; F326-L330 HydrophobicContact CD1-CD1 3.94Å; F326-L330 HydrophobicContact CD1-CG 4.18Å; F326-L330 HydrophobicContact CE1-CD1 3.84Å; F326-L330 HydrophobicContact CE1-CG 4.15Å; F326-L330 PolarHBondContact O-N 3.06Å
327E98.4Very high96.8Very high29 Ų2967.7 Ų67.714%0.13634%0.336CS..Hα-helixtrans-58.9-46.2176-170.3-159.3-156.200111.6L304 I323 E329 L330 K331 A337 I339L304-E327 HydrophobicContact CD1-CB 3.69Å; L304-E327 HydrophobicContact CD1-CG 4.12Å; I323-E327 PolarHBondContact O-N 3.42Å; E327-E329 VanDerWaalsContact C-N 3.3Å; E327-E329 PolarHBondContact O-N 3.37Å; E327-L330 PolarHBondContact O-N 3.01Å; E327-K331 HydrophobicContact CG-CD 4.25Å; E327-K331 WeakPolarHBondContact O-CG 3.45Å; E327-K331 PolarHBondContact O-N 3.14Å; E327-K331 IonicContact OE1-NZ 3.19Å; E327-K331 PolarHBondContact OE1-NZ 2.92Å; E327-K331 IonicContact OE2-NZ 3.46Å; E327-A337 HydrophobicContact CG-CB 4.17Å; E327-I339 HydrophobicContact CB-CD1 4.15Å; E327-I339 HydrophobicContact CB-CG1 4.2Å; E327-I339 HydrophobicContact CG-CD1 4.41Å; E327-I339 HydrophobicContact CG-CG1 4.21Å
328K98.4Very high97.3Very high157 Ų15765.9 Ų65.968%0.68333%0.334SS*.Hα-helixtrans-61.2-39.4178.6-174.9178.6-179.71800111.7F324 K325 F326 K331 R332F324-K328 VanDerWaalsContact O-CB 3.24Å; F324-K328 WeakPolarHBondContact O-CB 3.42Å; F324-K328 PolarHBondContact O-N 3.35Å; K325-K328 PolarHBondContact O-N 2.78Å; F326-K328 PolarHBondContact O-N 3.24Å; K328-K331 PolarHBondContact O-N 2.92Å; K328-R332 WeakPolarHBondContact O-CB 3.36Å; K328-R332 PolarHBondContact O-N 3.17Å
329E98.6Very high97.4Very high22 Ų2268 Ų6810%0.10334%0.344CS..Hα-helixtrans-67.7-43.4178.2-17865.5173.300111.9L285 A288 R289 K325 F326 E327 K331 R332 L333L285-E329 HydrophobicContact CD2-CB 3.81Å; L285-E329 HydrophobicContact CD2-CG 4.24Å; A288-E329 HydrophobicContact CB-CB 4.15Å; A288-E329 HydrophobicContact CB-CG 3.98Å; R289-E329 HydrophobicContact CG-CG 4.22Å; R289-E329 VanDerWaalsContact CG-OE1 3.3Å; R289-E329 WeakPolarHBondContact CG-OE1 3.36Å; R289-E329 IonicContact NH1-OE1 3.47Å; R289-E329 PolarHBondContact NH1-OE1 2.69Å; K325-E329 WeakPolarHBondContact O-CB 3.44Å; K325-E329 PolarHBondContact O-N 3.15Å; F326-E329 PolarHBondContact O-N 3.44Å; E327-E329 VanDerWaalsContact C-N 3.3Å; E327-E329 PolarHBondContact O-N 3.37Å; E329-K331 PolarHBondContact O-N 2.91Å; E329-R332 VanDerWaalsContact CD-NH2 3.35Å; E329-R332 PolarHBondContact O-N 3.42Å; E329-R332 IonicContact OE1-CZ 3.74Å; E329-R332 IonicContact OE1-NE 3.32Å; E329-R332 IonicContact OE1-NH2 2.89Å; E329-R332 PolarHBondContact OE1-NH2 2.82Å; E329-R332 IonicContact OE2-CZ 3.69Å; E329-R332 IonicContact OE2-NE 2.65Å; E329-R332 PolarHBondContact OE2-NE 3.02Å; E329-R332 IonicContact OE2-NH2 3.49Å; E329-R332 PolarHBondContact OE2-NH2 3.34Å; E329-L333 HydrophobicContact CG-CD1 4.07Å; E329-L333 VanDerWaalsContact O-CG 3.3Å; E329-L333 WeakPolarHBondContact O-CG 3.5Å; E329-L333 PolarHBondContact O-N 3.18Å; E329-L333 VanDerWaalsContact O-N 3.07Å
330L98.5Very high97.4Very high0 Ų069.4 Ų69.40%034%0.338CS..Hα-helixtrans-56.9-49.3172.7-72-179.6000111.4A288 L291 A292 V302 L304 F326 E327 R332 L333 G334 I335 A337A288-L330 HydrophobicContact CB-CD2 4.25Å; A288-L330 HydrophobicContact CB-CG 4.35Å; A288-L330 VanDerWaalsContact O-CD2 3.28Å; A288-L330 WeakPolarHBondContact O-CD2 3.49Å; L291-L330 HydrophobicContact CB-CD2 4.38Å; L291-L330 HydrophobicContact CD2-CD1 4.23Å; L291-L330 HydrophobicContact CD2-CD2 4.11Å; L291-L330 HydrophobicContact CG-CD2 4.31Å; A292-L330 HydrophobicContact CB-CD2 4.06Å; V302-L330 HydrophobicContact CB-CD1 4.19Å; V302-L330 HydrophobicContact CG1-CD1 3.93Å; V302-L330 HydrophobicContact CG2-CD1 4.45Å; L304-L330 HydrophobicContact CD1-CD1 4.4Å; L304-L330 HydrophobicContact CD2-CD1 4.16Å; F326-L330 HydrophobicContact CD1-CD1 3.94Å; F326-L330 HydrophobicContact CD1-CG 4.18Å; F326-L330 HydrophobicContact CE1-CD1 3.84Å; F326-L330 HydrophobicContact CE1-CG 4.15Å; F326-L330 PolarHBondContact O-N 3.06Å; E327-L330 PolarHBondContact O-N 3.01Å; L330-R332 PolarHBondContact O-N 3.02Å; L330-L333 CarbonylContact O-C 3.52Å; L330-L333 PolarHBondContact O-N 3.08Å; L330-L333 VanDerWaalsContact O-N 3.09Å; L330-G334 PolarHBondContact O-N 2.99Å; L330-I335 CarbonylContact C-O 3.52Å; L330-I335 HydrophobicContact CB-CB 4.16Å; L330-I335 HydrophobicContact CB-CG2 4.42Å; L330-I335 HydrophobicContact CD2-CB 4.47Å; L330-I335 HydrophobicContact CD2-CG2 4.45Å; L330-I335 WeakPolarHBondContact O-CB 3.4Å; L330-I335 PolarHBondContact O-N 3.11Å; L330-A337 HydrophobicContact CB-CB 4.07Å; L330-A337 HydrophobicContact CD1-CB 3.78Å
331K98.3Very high97Very high104 Ų10469.9 Ų69.945%0.45234%0.336SS..Hα-helixtrans-61-42.1178.2-74.2175.1173.8169.10112.2E327 K328 E329 L333 G334 I335 A337E327-K331 HydrophobicContact CG-CD 4.25Å; E327-K331 WeakPolarHBondContact O-CG 3.45Å; E327-K331 PolarHBondContact O-N 3.14Å; E327-K331 IonicContact OE1-NZ 3.19Å; E327-K331 PolarHBondContact OE1-NZ 2.92Å; E327-K331 IonicContact OE2-NZ 3.46Å; K328-K331 PolarHBondContact O-N 2.92Å; E329-K331 PolarHBondContact O-N 2.91Å; K331-L333 PolarHBondContact O-N 3.49Å; K331-G334 PolarHBondContact O-N 3.29Å; K331-I335 WeakPolarHBondContact CA-O 3.46Å; K331-I335 PolarHBondContact N-O 3.05Å; K331-A337 WeakPolarHBondContact CE-O 3.43Å; K331-A337 PolarHBondContact NZ-O 3.17Å
332R98.1Very high96.3Very high157 Ų15768 Ų6859%0.59232%0.323SS*.Hα-helixtrans-59.8-32.7175.7-170-169.367.675.1-1.9112.1K328 E329 L330 G334K328-R332 WeakPolarHBondContact O-CB 3.36Å; K328-R332 PolarHBondContact O-N 3.17Å; E329-R332 VanDerWaalsContact CD-NH2 3.35Å; E329-R332 PolarHBondContact O-N 3.42Å; E329-R332 IonicContact OE1-CZ 3.74Å; E329-R332 IonicContact OE1-NE 3.32Å; E329-R332 IonicContact OE1-NH2 2.89Å; E329-R332 PolarHBondContact OE1-NH2 2.82Å; E329-R332 IonicContact OE2-CZ 3.69Å; E329-R332 IonicContact OE2-NE 2.65Å; E329-R332 PolarHBondContact OE2-NE 3.02Å; E329-R332 IonicContact OE2-NH2 3.49Å; E329-R332 PolarHBondContact OE2-NH2 3.34Å; L330-R332 PolarHBondContact O-N 3.02Å; R332-G334 VanDerWaalsContact C-N 3.28Å
333L98.2Very high95.6Very high68 Ų6866.4 Ų66.436%0.35631%0.314SS..THydrogen-bonded Turntrans-86.75.7177.8-64.8167.6000113.4R289 A292 E329 L330 K331R289-L333 HydrophobicContact CB-CD1 4.42Å; R289-L333 HydrophobicContact CG-CD1 3.91Å; A292-L333 HydrophobicContact CB-CB 3.84Å; A292-L333 HydrophobicContact CB-CD1 3.58Å; A292-L333 HydrophobicContact CB-CG 4.35Å; E329-L333 HydrophobicContact CG-CD1 4.07Å; E329-L333 VanDerWaalsContact O-CG 3.3Å; E329-L333 WeakPolarHBondContact O-CG 3.5Å; E329-L333 PolarHBondContact O-N 3.18Å; E329-L333 VanDerWaalsContact O-N 3.07Å; L330-L333 CarbonylContact O-C 3.52Å; L330-L333 PolarHBondContact O-N 3.08Å; L330-L333 VanDerWaalsContact O-N 3.09Å; K331-L333 PolarHBondContact O-N 3.49Å
334G97.4Very high95Very high60 Ų6066 Ų6662%0.61931%0.312SS*.THydrogen-bonded Turntrans85.712.4177.200000114.7L330 K331 R332L330-G334 PolarHBondContact O-N 2.99Å; K331-G334 PolarHBondContact O-N 3.29Å; R332-G334 VanDerWaalsContact C-N 3.28Å
335I98.3Very high94.1Very high12 Ų1265.4 Ų65.46%0.06232%0.32CS..  trans-94.4126.2177.2-56.5-55.4000110.2A292 I295 V302 L330 K331 A337A292-I335 HydrophobicContact CB-CG1 3.69Å; I295-I335 HydrophobicContact CD1-CD1 4.5Å; I295-I335 HydrophobicContact CD1-CG2 3.97Å; I295-I335 HydrophobicContact CG1-CD1 3.98Å; V302-I335 HydrophobicContact CB-CG2 4.49Å; V302-I335 HydrophobicContact CG2-CG2 3.65Å; L330-I335 CarbonylContact C-O 3.52Å; L330-I335 HydrophobicContact CB-CB 4.16Å; L330-I335 HydrophobicContact CB-CG2 4.42Å; L330-I335 HydrophobicContact CD2-CB 4.47Å; L330-I335 HydrophobicContact CD2-CG2 4.45Å; L330-I335 WeakPolarHBondContact O-CB 3.4Å; L330-I335 PolarHBondContact O-N 3.11Å; K331-I335 WeakPolarHBondContact CA-O 3.46Å; K331-I335 PolarHBondContact N-O 3.05Å; I335-A337 PolarHBondContact O-N 3.37Å
336N97.8Very high93.4Very high105 Ų10564 Ų6456%0.56132%0.317SS*.  trans-69.7120.3171.7-69.5-41.1000109.5H301 V302H301-N336 PolarHBondContact ND1-O 3.29Å; V302-N336 PolarHBondContact N-O 3.35Å
337A98.3Very high92.6Very high4 Ų464.6 Ų64.63%0.03332%0.32CS..EExtended strand (participates in β ladder)trans-136.9146.5179.300000111.4V302 E327 L330 K331 I335V302-A337 HydrophobicContact CB-CB 4.13Å; V302-A337 CarbonylContact O-C 3.57Å; V302-A337 WeakPolarHBondContact O-CA 3.33Å; E327-A337 HydrophobicContact CG-CB 4.17Å; L330-A337 HydrophobicContact CB-CB 4.07Å; L330-A337 HydrophobicContact CD1-CB 3.78Å; K331-A337 WeakPolarHBondContact CE-O 3.43Å; K331-A337 PolarHBondContact NZ-O 3.17Å; I335-A337 PolarHBondContact O-N 3.37Å
338T97.7Very high91.7Very high61 Ų6165.9 Ų65.937%0.37433%0.328SS..EExtended strand (participates in β ladder)trans-132.1149.7170.153.10000109.9H301 V302 L304H301-T338 PolarHBondContact CE1-N 3.2Å; H301-T338 PolarHBondContact CE1-OG1 3.25Å; H301-T338 VanDerWaalsContact CE1-OG1 3.24Å; H301-T338 PolarHBondContact NE2-OG1 3.06Å; V302-T338 PolarHBondContact O-N 3.42Å; L304-T338 PolarHBondContact N-O 2.86Å
339I96.5Very high90.6Very high48 Ų4859.2 Ų59.225%0.24630%0.302CS..EExtended strand (participates in β ladder)trans-89.6121.3168.8-58.1163.7000108.1L304 P306 I323 F324 E327 R341L304-I339 HydrophobicContact CB-CG1 4.5Å; L304-I339 HydrophobicContact CD1-CG1 4.3Å; P306-I339 HydrophobicContact CG-CG2 4.12Å; I323-I339 HydrophobicContact CG2-CD1 3.7Å; I323-I339 HydrophobicContact CG2-CG1 3.77Å; I323-I339 HydrophobicContact CG2-CG2 3.93Å; F324-I339 HydrophobicContact CD1-CD1 3.38Å; F324-I339 HydrophobicContact CE1-CD1 3.5Å; F324-I339 HydrophobicContact CG-CD1 4.26Å; F324-I339 HydrophobicContact CZ-CD1 4.46Å; E327-I339 HydrophobicContact CB-CD1 4.15Å; E327-I339 HydrophobicContact CB-CG1 4.2Å; E327-I339 HydrophobicContact CG-CD1 4.41Å; E327-I339 HydrophobicContact CG-CG1 4.21Å; I339-R341 PolarHBondContact O-N 3.32Å
340R92.9Very high89.7Confident82 Ų8259.5 Ų59.531%0.30931%0.309SS..PPolyproline II helixtrans-62.7129.1176.6-172.1-176.1-76.6-147.5-6.6109.4E274 N303 L304 E342E274-R340 IonicContact OE1-NH2 2.83Å; E274-R340 PolarHBondContact OE1-NH2 2.77Å; E274-R340 VanDerWaalsContact OE1-NH2 3.08Å; E274-R340 IonicContact OE2-CZ 3.38Å; E274-R340 IonicContact OE2-NE 3.16Å; E274-R340 IonicContact OE2-NH2 2.73Å; E274-R340 PolarHBondContact OE2-NH2 3.28Å; N303-R340 PolarHBondContact ND2-NE 2.77Å; N303-R340 PolarHBondContact ND2-NH2 3.46Å; L304-R340 WeakPolarHBondContact O-CB 3.4Å; L304-R340 PolarHBondContact O-N 3.46Å; R340-E342 PolarHBondContact O-N 3.49Å
341R85.1Confident88.6Confident166 Ų16661.2 Ų61.263%0.62632%0.32SS*.PPolyproline II helixtrans-65.8129.2171.3-177.7177.7176.6-178.6-2.3109.1I339 Q343I339-R341 PolarHBondContact O-N 3.32Å; R341-Q343 HydrophobicContact CG-CG 4.47Å
342E81.5Confident87.7Confident76 Ų7656.4 Ų56.436%0.35530%0.3SS..PPolyproline II helixtrans-71.6130.8172.7-61.4178.792.700109.1P306 N308 K317 R340P306-E342 HydrophobicContact CB-CG 4.32Å; P306-E342 HydrophobicContact CG-CG 4.19Å; N308-E342 PolarHBondContact OD1-OE1 3.12Å; K317-E342 IonicContact NZ-OE1 3.6Å; K317-E342 PolarHBondContact NZ-OE1 3.37Å; K317-E342 IonicContact NZ-OE2 2.73Å; K317-E342 PolarHBondContact NZ-OE2 3.29Å; R340-E342 PolarHBondContact O-N 3.49Å
343Q83Confident87Confident27 Ų2749.6 Ų49.613%0.12628%0.275CS..  trans-132.2141.4177.1-66.8-172.4-82.500110D91 R112 H113 R341 S345D91-Q343 WeakPolarHBondContact OD2-CA 3.42Å; R112-Q343 PolarHBondContact O-NE2 3.12Å; H113-Q343 PolarHBondContact CE1-OE1 3.06Å; R341-Q343 HydrophobicContact CG-CG 4.47Å; Q343-S345 VanDerWaalsContact C-N 3.31Å; Q343-S345 PolarHBondContact O-N 3.06Å
344G83.4Confident86.2Confident0 Ų046.3 Ų46.30%026%0.258CS..  trans64.729.9-179.700000115D91 D346 I347 A349D91-G344 PolarHBondContact OD2-N 3.41Å; G344-D346 PolarHBondContact O-N 3.37Å; G344-D346 VanDerWaalsContact O-N 3.16Å; G344-I347 WeakPolarHBondContact O-CG1 3.42Å; G344-I347 PolarHBondContact O-N 3.41Å; G344-I347 VanDerWaalsContact O-N 3.16Å; G344-A349 WeakPolarHBondContact O-CB 3.42Å; G344-A349 PolarHBondContact O-N 2.93Å
345S79.4Confident85.5Confident87 Ų8743.7 Ų43.761%0.60823%0.229SC*.THydrogen-bonded Turntrans-62.8-19.3-178.454.50000114.2Q343Q343-S345 VanDerWaalsContact C-N 3.31Å; Q343-S345 PolarHBondContact O-N 3.06Å
346D83Confident84.7Confident77 Ų7743.4 Ų43.441%0.41223%0.229SC..THydrogen-bonded Turntrans-93.2-3.1179.357.9-38.3000114.3S89 K90 G344S89-D346 WeakPolarHBondContact CB-OD1 3.29Å; S89-D346 PolarHBondContact OG-OD1 2.82Å; K90-D346 WeakPolarHBondContact CG-OD2 3.46Å; K90-D346 PolarHBondContact N-OD2 2.86Å; G344-D346 PolarHBondContact O-N 3.37Å; G344-D346 VanDerWaalsContact O-N 3.16Å
347I81.5Confident84Confident14 Ų1443.3 Ų43.37%0.07222%0.223CC..THydrogen-bonded Turntrans-128.829.5-17663.7165.1000113.9Q87 T93 K95 G344 A349Q87-I347 HydrophobicContact CB-CB 4.1Å; Q87-I347 HydrophobicContact CB-CD1 4.32Å; Q87-I347 HydrophobicContact CB-CG2 4.21Å; Q87-I347 PolarHBondContact OE1-O 2.87Å; T93-I347 HydrophobicContact CG2-CD1 4.46Å; T93-I347 WeakPolarHBondContact O-CD1 3.3Å; K95-I347 HydrophobicContact CB-CD1 3.91Å; G344-I347 WeakPolarHBondContact O-CG1 3.42Å; G344-I347 PolarHBondContact O-N 3.41Å; G344-I347 VanDerWaalsContact O-N 3.16Å; I347-A349 HydrophobicContact CG1-CB 4.2Å; I347-A349 PolarHBondContact O-N 3.44Å; I347-A349 VanDerWaalsContact O-N 3.14Å
348D79.5Confident83.3Confident56 Ų5647.2 Ų47.230%0.29924%0.241SC..THydrogen-bonded Turntrans51.341.3-180-60.3-39.8000111.9K95 A350 Q353 K357K95-D348 PolarHBondContact NZ-O 3.02Å; D348-A350 PolarHBondContact O-N 3.47Å; D348-Q353 VanDerWaalsContact C-OE1 3.3Å; D348-Q353 HydrophobicContact CB-CB 4.01Å; D348-Q353 PolarHBondContact O-OE1 2.9Å; D348-K357 IonicContact OD2-NZ 2.93Å; D348-K357 PolarHBondContact OD2-NZ 2.63Å
349A76.6Confident82.5Confident17 Ų1748.1 Ų48.114%0.1424%0.238CC..  trans-66.2-9-169.200000115.4G344 I347G344-A349 WeakPolarHBondContact O-CB 3.42Å; G344-A349 PolarHBondContact O-N 2.93Å; I347-A349 HydrophobicContact CG1-CB 4.2Å; I347-A349 PolarHBondContact O-N 3.44Å; I347-A349 VanDerWaalsContact O-N 3.14Å
350A78.6Confident81.4Confident29 Ų2951.1 Ų51.124%0.2425%0.25CS..SBendtrans-71.1156179.300000111.8K95 D348 G352 Q353K95-A350 PolarHBondContact NZ-O 2.82Å; D348-A350 PolarHBondContact O-N 3.47Å; A350-G352 PolarHBondContact O-N 3.24Å; A350-Q353 HydrophobicContact CB-CG 4.1Å; A350-Q353 VanDerWaalsContact CB-OE1 3.29Å; A350-Q353 PolarHBondContact O-N 2.88Å
351C75.7Confident80.5Confident35 Ų3553.5 Ų53.524%0.23627%0.274CS..THydrogen-bonded Turntrans-57.8120.8-174.3-174.60000112.3S136 G175 I176 Q353S136-C351 PolarHBondContact OG-O 3.41Å; S136-C351 PolarHBondContact OG-SG 3.13Å; G175-C351 PolarHBondContact O-SG 2.98Å; I176-C351 VanDerWaalsContact CA-SG 3.58Å; I176-C351 PolarHBondContact N-SG 2.98Å; I176-C351 VanDerWaalsContact N-SG 3.38Å; C351-Q353 VanDerWaalsContact C-N 3.34Å; C351-Q353 PolarHBondContact O-N 3.08Å
352G80.2Confident79.9Confident3 Ų346.8 Ų46.83%0.03125%0.25CC..THydrogen-bonded Turntrans84.6-5.7173.500000115.6E107 A350 A356E107-G352 VanDerWaalsContact OE1-CA 3.26Å; E107-G352 WeakPolarHBondContact OE1-CA 3.44Å; E107-G352 WeakPolarHBondContact OE2-CA 3.43Å; E107-G352 PolarHBondContact OE2-N 3.15Å; A350-G352 PolarHBondContact O-N 3.24Å; G352-A356 VanDerWaalsContact O-CB 3.31Å; G352-A356 WeakPolarHBondContact O-CB 3.44Å; G352-A356 PolarHBondContact O-N 3.44Å
353Q82Confident79.3Confident14 Ų1444.2 Ų44.27%0.06524%0.239CC..Hα-helixtrans-69.3-38.2-175.3-70.7-173.7-42.900113.4E107 A135 H309 D348 A350 C351 K357E107-Q353 PolarHBondContact OE1-N 2.96Å; A135-Q353 HydrophobicContact CB-CG 4.11Å; H309-Q353 PolarHBondContact O-NE2 3.31Å; D348-Q353 VanDerWaalsContact C-OE1 3.3Å; D348-Q353 HydrophobicContact CB-CB 4.01Å; D348-Q353 PolarHBondContact O-OE1 2.9Å; A350-Q353 HydrophobicContact CB-CG 4.1Å; A350-Q353 VanDerWaalsContact CB-OE1 3.29Å; A350-Q353 PolarHBondContact O-N 2.88Å; C351-Q353 VanDerWaalsContact C-N 3.34Å; C351-Q353 PolarHBondContact O-N 3.08Å; Q353-K357 WeakPolarHBondContact O-CB 3.27Å; Q353-K357 PolarHBondContact O-N 2.97Å; Q353-K357 VanDerWaalsContact O-N 3.15Å
354L82.5Confident78.2Confident0 Ų054.2 Ų54.20%028%0.276CS..Hα-helixtrans-73.3-41-178-178.862.3000110.3V85 K95 L97 E107 K357 E358V85-L354 HydrophobicContact CG1-CD2 4.36Å; K95-L354 HydrophobicContact CD-CB 3.9Å; K95-L354 HydrophobicContact CD-CD2 3.83Å; K95-L354 HydrophobicContact CD-CG 4.49Å; K95-L354 VanDerWaalsContact CE-CB 3.48Å; K95-L354 HydrophobicContact CG-CD2 3.77Å; L97-L354 HydrophobicContact CB-CD2 3.95Å; L97-L354 HydrophobicContact CB-CG 4.44Å; E107-L354 WeakPolarHBondContact OE1-CA 3.43Å; E107-L354 WeakPolarHBondContact OE1-CB 3.09Å; E107-L354 PolarHBondContact OE1-N 3.45Å; L354-K357 WeakPolarHBondContact O-CB 3.31Å; L354-K357 PolarHBondContact O-N 3.36Å; L354-E358 HydrophobicContact CD1-CG 3.86Å; L354-E358 HydrophobicContact CG-CG 4.32Å; L354-E358 WeakPolarHBondContact O-CB 3.4Å; L354-E358 WeakPolarHBondContact O-CG 3.47Å; L354-E358 PolarHBondContact O-N 3.22Å
355R82.4Confident78Confident4 Ų456.9 Ų56.92%0.01529%0.289CS..Hα-helixtrans-61.9-45.1174.3179175.2175-99-8111.4L97 T105 E107 K357 R359 E362 T363L97-R355 HydrophobicContact CD1-CB 3.99Å; T105-R355 VanDerWaalsContact O-CD 3.25Å; T105-R355 WeakPolarHBondContact O-CD 3.23Å; T105-R355 PolarHBondContact O-NE 3.23Å; T105-R355 VanDerWaalsContact O-NE 3.08Å; E107-R355 HydrophobicContact CG-CB 4.17Å; E107-R355 WeakPolarHBondContact OE1-CB 3.33Å; E107-R355 PolarHBondContact OE1-N 2.9Å; R355-K357 PolarHBondContact O-N 3.01Å; R355-R359 WeakPolarHBondContact O-CA 3.39Å; R355-R359 WeakPolarHBondContact O-CB 3.27Å; R355-R359 PolarHBondContact O-N 3.1Å; R355-E362 IonicContact CZ-OE2 2.6Å; R355-E362 IonicContact NE-OE2 2.97Å; R355-E362 PolarHBondContact NE-OE2 3.26Å; R355-E362 IonicContact NH2-OE2 2.76Å; R355-E362 PolarHBondContact NH2-OE2 3.25Å; R355-T363 HydrophobicContact CG-CG2 4.4Å
356A82.2Confident77.9Confident6 Ų655.3 Ų55.35%0.0527%0.273CS..Hα-helixtrans-60.6-36.3176.200000112.5L138 G352 T363L138-A356 HydrophobicContact CD1-CB 4.18Å; G352-A356 VanDerWaalsContact O-CB 3.31Å; G352-A356 WeakPolarHBondContact O-CB 3.44Å; G352-A356 PolarHBondContact O-N 3.44Å; A356-T363 HydrophobicContact CB-CG2 4.39Å
357K81.9Confident77.6Confident104 Ų10454.1 Ų54.145%0.45227%0.265SS..Hα-helixtrans-72-49.7178-173.3-178.5-171.6172.40113D348 Q353 L354 R355D348-K357 IonicContact OD2-NZ 2.93Å; D348-K357 PolarHBondContact OD2-NZ 2.63Å; Q353-K357 WeakPolarHBondContact O-CB 3.27Å; Q353-K357 PolarHBondContact O-N 2.97Å; Q353-K357 VanDerWaalsContact O-N 3.15Å; L354-K357 WeakPolarHBondContact O-CB 3.31Å; L354-K357 PolarHBondContact O-N 3.36Å; R355-K357 PolarHBondContact O-N 3.01Å
358E83Confident77.4Confident86 Ų8656.5 Ų56.540%0.40228%0.276SS..Hα-helixtrans-86.8-24.6-171.1-62.7-59.8144.400113.7V85 L97 L354V85-E358 HydrophobicContact CG2-CG 4.3Å; L97-E358 HydrophobicContact CD2-CB 3.82Å; L97-E358 HydrophobicContact CD2-CG 4.2Å; L354-E358 HydrophobicContact CD1-CG 3.86Å; L354-E358 HydrophobicContact CG-CG 4.32Å; L354-E358 WeakPolarHBondContact O-CB 3.4Å; L354-E358 WeakPolarHBondContact O-CG 3.47Å; L354-E358 PolarHBondContact O-N 3.22Å
359R81.4Confident77.3Confident80 Ų8056.5 Ų56.530%0.30228%0.275SS..  trans-128.353.1-174.1-65.3-66.4-159.8-137.47.1111.9E99 T105 R355 V361 E362 T363E99-R359 IonicContact OE2-NH2 2.77Å; E99-R359 PolarHBondContact OE2-NH2 3.2Å; T105-R359 HydrophobicContact CG2-CG 3.87Å; T105-R359 WeakPolarHBondContact OG1-CG 3.46Å; R355-R359 WeakPolarHBondContact O-CA 3.39Å; R355-R359 WeakPolarHBondContact O-CB 3.27Å; R355-R359 PolarHBondContact O-N 3.1Å; R359-V361 PolarHBondContact O-N 3.42Å; R359-E362 HydrophobicContact CB-CB 4.35Å; R359-E362 HydrophobicContact CB-CG 4.14Å; R359-E362 WeakPolarHBondContact O-CB 3.37Å; R359-E362 PolarHBondContact O-N 3.38Å; R359-T363 PolarHBondContact O-N 2.92Å
360Q74.6Confident77.3Confident110 Ų11059.1 Ų59.151%0.51428%0.284SS..Hα-helixtrans-51.5-30.3-179.5-66-174.26.600114.4E362 T363 R364Q360-E362 VanDerWaalsContact C-N 3.32Å; Q360-T363 WeakPolarHBondContact CA-OG1 3.15Å; Q360-T363 PolarHBondContact O-N 2.89Å; Q360-T363 PolarHBondContact O-OG1 2.65Å; Q360-R364 WeakPolarHBondContact O-CG 3.46Å; Q360-R364 PolarHBondContact O-N 3.47Å
361V73.2Confident77.2Confident133 Ų13361.3 Ų61.381%0.80629%0.287SS*.Hα-helixtrans-66.7-33.5177.6-179.50000111.8R359R359-V361 PolarHBondContact O-N 3.42Å
362E73.1Confident77.3Confident25 Ų2563.3 Ų63.312%0.11729%0.291CS..Hα-helixtrans-78.9-21.6177.8-62.6-178.3-15200113.3Y104 T105 K142 R355 R359 Q360Y104-E362 HydrophobicContact CD1-CG 4.43Å; T105-E362 PolarHBondContact N-OE1 2.78Å; T105-E362 PolarHBondContact N-OE2 3.47Å; T105-E362 PolarHBondContact OG1-OE1 3.12Å; T105-E362 PolarHBondContact OG1-OE2 2.97Å; K142-E362 WeakPolarHBondContact CE-O 3.39Å; R355-E362 IonicContact CZ-OE2 2.6Å; R355-E362 IonicContact NE-OE2 2.97Å; R355-E362 PolarHBondContact NE-OE2 3.26Å; R355-E362 IonicContact NH2-OE2 2.76Å; R355-E362 PolarHBondContact NH2-OE2 3.25Å; R359-E362 HydrophobicContact CB-CB 4.35Å; R359-E362 HydrophobicContact CB-CG 4.14Å; R359-E362 WeakPolarHBondContact O-CB 3.37Å; R359-E362 PolarHBondContact O-N 3.38Å; Q360-E362 VanDerWaalsContact C-N 3.32Å
363T68Low77.1Confident22 Ų2268.3 Ų68.314%0.13531%0.312CS..Hα-helixtrans-106.3-4.4-174.261.10000114.4L138 G139 R355 A356 R359 Q360L138-T363 CarbonylContact C-O 3.58Å; G139-T363 WeakPolarHBondContact CA-O 3.17Å; G139-T363 PolarHBondContact N-O 3.32Å; G139-T363 VanDerWaalsContact N-O 3.11Å; R355-T363 HydrophobicContact CG-CG2 4.4Å; A356-T363 HydrophobicContact CB-CG2 4.39Å; R359-T363 PolarHBondContact O-N 2.92Å; Q360-T363 WeakPolarHBondContact CA-OG1 3.15Å; Q360-T363 PolarHBondContact O-N 2.89Å; Q360-T363 PolarHBondContact O-OG1 2.65Å
364R60.7Low76.6Confident236 Ų23673.3 Ų73.389%0.89134%0.335SS*.  trans-740160.4-78.6178.2-179.2-171.92.3109.8Q360Q360-R364 WeakPolarHBondContact O-CG 3.46Å; Q360-R364 PolarHBondContact O-N 3.47Å

Retrieved 364 of 364 residues in 81.1 ms (Link to these results)

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