A0A087YBA4_POEFO Loading...

Cryptochrome circadian regulator 2

AlphaFold DB , UniProt , Accession A0A087YBA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 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
1N88.1Confident92.6Very high44 Ų4410.3 Ų10.324%0.2355%0.049CC..  0118.50-65.8-10.3000111.7T27 W90 S91 T93 R94N1-T27 PolarHBondContact OD1-OG1 3.49Å; N1-W90 PolarHBondContact ND2-O 3.17Å; N1-S91 WeakPolarHBondContact CB-O 3.36Å; N1-S91 PolarHBondContact ND2-O 3.44Å; N1-T93 PolarHBondContact N-OG1 2.88Å; N1-T93 PolarHBondContact O-N 2.88Å; N1-T93 PolarHBondContact O-OG1 3.3Å; N1-R94 PolarHBondContact O-N 2.86Å
2S92.1Very high92.6Very high2 Ų210.7 Ų10.71%0.0145%0.052CC..EExtended strand (participates in β ladder)trans-111146.4179.6-58.80000112.6A21 A25 T27 V28 R29 R94S2-A21 VanDerWaalsContact CB-O 3.26Å; S2-A21 WeakPolarHBondContact CB-O 3.32Å; S2-A21 PolarHBondContact OG-O 3.16Å; S2-A25 VanDerWaalsContact OG-CB 3.24Å; S2-A25 WeakPolarHBondContact OG-CB 3.27Å; S2-T27 PolarHBondContact N-O 3.1Å; S2-V28 WeakPolarHBondContact O-CA 3.4Å; S2-R29 PolarHBondContact O-N 2.72Å; S2-R94 CarbonylContact C-O 3.34Å; S2-R94 VanDerWaalsContact CA-O 3.3Å; S2-R94 WeakPolarHBondContact CA-O 3.23Å
3V94.1Very high92.6Very high1 Ų110.6 Ų10.61%0.0065%0.051CC..EExtended strand (participates in β ladder)trans-115.7130.3167.61720000109R29 V31 F83 W90 V92 R94 L95 T96V3-R29 WeakPolarHBondContact CA-O 3.43Å; V3-V31 HydrophobicContact CG1-CB 4.13Å; V3-V31 HydrophobicContact CG1-CG2 3.66Å; V3-F83 HydrophobicContact CG1-CE1 4.49Å; V3-W90 HydrophobicContact CG2-CE3 4.05Å; V3-W90 HydrophobicContact CG2-CZ3 4.31Å; V3-V92 HydrophobicContact CB-CG1 4.24Å; V3-V92 HydrophobicContact CG2-CB 4.44Å; V3-V92 HydrophobicContact CG2-CG1 3.82Å; V3-V92 HydrophobicContact CG2-CG2 3.66Å; V3-R94 PolarHBondContact N-O 3.38Å; V3-L95 HydrophobicContact CB-CD1 4.12Å; V3-L95 HydrophobicContact CG1-CD1 3.86Å; V3-L95 CarbonylContact O-C 3.58Å; V3-L95 WeakPolarHBondContact O-CA 3.36Å; V3-T96 PolarHBondContact O-N 3.42Å
4H95.3Very high92.6Very high2 Ų210 Ų101%0.0095%0.048CC..EExtended strand (participates in β ladder)trans-104.2123.1167-177.256.3000109.4F6 N15 L18 A21 R29 V31 T96H4-F6 AromaticContact CD2-CD2 3.96Å; H4-F6 AromaticContact CD2-CE1 3.89Å; H4-F6 AromaticContact CD2-CE2 3.57Å; H4-F6 AromaticContact CD2-CZ 3.53Å; H4-F6 AromaticContact NE2-CD1 3.95Å; H4-F6 AromaticContact NE2-CE1 3.65Å; H4-F6 AromaticContact NE2-CZ 3.78Å; H4-N15 PolarHBondContact NE2-ND2 3.36Å; H4-L18 HydrophobicContact CB-CD1 3.85Å; H4-A21 HydrophobicContact CB-CB 4.24Å; H4-R29 PolarHBondContact N-O 2.88Å; H4-V31 PolarHBondContact O-N 3.34Å; H4-T96 WeakPolarHBondContact CA-O 3.43Å; H4-T96 PolarHBondContact ND1-O 2.91Å; H4-T96 PolarHBondContact ND1-OG1 3.21Å
5W95.8Very high92.7Very high7 Ų79.7 Ų9.73%0.0275%0.047CC..EExtended strand (participates in β ladder)trans-102.9113.7-177.2176.628.4000111.3R7 V31 P79 F83 L95 T96 F97 R108 I112W5-R7 HydrophobicContact CD2-CG 3.99Å; W5-R7 VanDerWaalsContact CE2-CG 3.49Å; W5-R7 VanDerWaalsContact CE3-NH1 3.3Å; W5-R7 HydrophobicContact CG-CG 4.29Å; W5-R7 VanDerWaalsContact CH2-NH1 3.31Å; W5-R7 HydrophobicContact CZ2-CG 3.78Å; W5-R7 WeakPolarHBondContact O-CD 3.46Å; W5-V31 WeakPolarHBondContact CA-O 3.38Å; W5-P79 HydrophobicContact CH2-CB 4.06Å; W5-P79 HydrophobicContact CH2-CG 4.32Å; W5-P79 HydrophobicContact CZ2-CB 3.97Å; W5-P79 HydrophobicContact CZ2-CG 3.87Å; W5-F83 HydrophobicContact CB-CZ 4.04Å; W5-F83 AromaticContact CD2-CE2 3.62Å; W5-F83 HydrophobicContact CD2-CE2 3.62Å; W5-F83 AromaticContact CD2-CZ 3.46Å; W5-F83 HydrophobicContact CD2-CZ 3.46Å; W5-F83 VanDerWaalsContact CD2-CZ 3.46Å; W5-F83 AromaticContact CE2-CE2 3.78Å; W5-F83 AromaticContact CE2-CZ 3.94Å; W5-F83 AromaticContact CE3-CE2 3.63Å; W5-F83 HydrophobicContact CE3-CE2 3.63Å; W5-F83 AromaticContact CE3-CZ 3.73Å; W5-F83 HydrophobicContact CE3-CZ 3.73Å; W5-F83 HydrophobicContact CG-CE2 4.25Å; W5-F83 AromaticContact CG-CZ 3.61Å; W5-F83 HydrophobicContact CG-CZ 3.61Å; W5-F83 HydrophobicContact CH2-CE2 4.02Å; W5-F83 HydrophobicContact CZ2-CE2 4.01Å; W5-F83 AromaticContact CZ3-CE2 3.82Å; W5-F83 HydrophobicContact CZ3-CE2 3.82Å; W5-F83 HydrophobicContact CZ3-CZ 4.39Å; W5-L95 HydrophobicContact CB-CD1 4.05Å; W5-T96 PolarHBondContact N-O 2.8Å; W5-F97 HydrophobicContact CB-CB 4.32Å; W5-F97 HydrophobicContact CE3-CB 4.45Å; W5-F97 AromaticContact CE3-CD1 3.92Å; W5-F97 HydrophobicContact CE3-CD1 3.92Å; W5-F97 HydrophobicContact CE3-CE1 4.36Å; W5-F97 HydrophobicContact CE3-CG 4.25Å; W5-R108 HydrophobicContact CH2-CG 4.42Å; W5-I112 HydrophobicContact CH2-CG1 4.32Å; W5-I112 HydrophobicContact CZ3-CB 4.42Å; W5-I112 HydrophobicContact CZ3-CG1 4.24Å; W5-I112 HydrophobicContact CZ3-CG2 4.12Å
6F95.1Very high92.8Very high2 Ų210 Ų101%0.0095%0.05CC..EExtended strand (participates in β ladder)trans-83.5140.9172.8-74-74000111.3H4 G9 L10 L12 C30 V31 Y32 L61 L72H4-F6 AromaticContact CD2-CD2 3.96Å; H4-F6 AromaticContact CD2-CE1 3.89Å; H4-F6 AromaticContact CD2-CE2 3.57Å; H4-F6 AromaticContact CD2-CZ 3.53Å; H4-F6 AromaticContact NE2-CD1 3.95Å; H4-F6 AromaticContact NE2-CE1 3.65Å; H4-F6 AromaticContact NE2-CZ 3.78Å; F6-G9 WeakPolarHBondContact CD1-O 3.48Å; F6-G9 WeakPolarHBondContact CE1-O 3.39Å; F6-L10 HydrophobicContact CB-CD2 3.89Å; F6-L10 HydrophobicContact CD1-CD2 4.29Å; F6-L10 HydrophobicContact CG-CD2 4.41Å; F6-L12 HydrophobicContact CZ-CD2 4.24Å; F6-C30 HydrophobicContact CD2-CB 4.39Å; F6-C30 HydrophobicContact CE2-CB 3.88Å; F6-V31 PolarHBondContact N-O 3.31Å; F6-Y32 HydrophobicContact CB-CD2 3.94Å; F6-Y32 WeakPolarHBondContact O-CD2 3.44Å; F6-L61 HydrophobicContact CD1-CD2 4.01Å; F6-L61 HydrophobicContact CD2-CD2 3.84Å; F6-L61 HydrophobicContact CE1-CD1 4.29Å; F6-L61 HydrophobicContact CE1-CD2 4.03Å; F6-L61 HydrophobicContact CE2-CD1 4.32Å; F6-L61 HydrophobicContact CE2-CD2 3.85Å; F6-L61 HydrophobicContact CE2-CG 4.45Å; F6-L61 HydrophobicContact CG-CD2 3.91Å; F6-L61 HydrophobicContact CZ-CD1 3.89Å; F6-L61 HydrophobicContact CZ-CD2 3.95Å; F6-L61 HydrophobicContact CZ-CG 4.44Å; F6-L72 HydrophobicContact CD2-CD1 4.12Å
7R89.6Confident92.8Very high27 Ų279.4 Ų9.410%0.1025%0.047CC..SBendtrans-143.4-76.8179.5-52.488.770.5774.4109.7W5 F97 E98 D109W5-R7 HydrophobicContact CD2-CG 3.99Å; W5-R7 VanDerWaalsContact CE2-CG 3.49Å; W5-R7 VanDerWaalsContact CE3-NH1 3.3Å; W5-R7 HydrophobicContact CG-CG 4.29Å; W5-R7 VanDerWaalsContact CH2-NH1 3.31Å; W5-R7 HydrophobicContact CZ2-CG 3.78Å; W5-R7 WeakPolarHBondContact O-CD 3.46Å; R7-F97 VanDerWaalsContact NH2-CD2 3.33Å; R7-E98 PolarHBondContact NH2-O 3.46Å; R7-D109 IonicContact CZ-OD1 2.8Å; R7-D109 IonicContact CZ-OD2 3.5Å; R7-D109 IonicContact NH1-OD1 3.28Å; R7-D109 PolarHBondContact NH1-OD1 2.83Å; R7-D109 IonicContact NH1-OD2 3.88Å; R7-D109 PolarHBondContact NH1-OD2 3.38Å; R7-D109 IonicContact NH2-OD1 3.19Å; R7-D109 IonicContact NH2-OD2 3.13Å; R7-D109 PolarHBondContact NH2-OD2 3.43Å
8K87.8Confident92.8Very high23 Ų238.9 Ų8.910%0.15%0.045CC..SBendtrans-85.7-156.7148-52.3178.5-172.51760106L10 D100 E102 F253 D385K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 3.07Å; K8-D100 VanDerWaalsContact CE-OD1 3.31Å; K8-D100 WeakPolarHBondContact CE-OD1 3.42Å; K8-D100 IonicContact NZ-OD1 2.74Å; K8-D100 PolarHBondContact NZ-OD1 3.03Å; K8-D100 IonicContact NZ-OD2 3.21Å; K8-E102 VanDerWaalsContact NZ-CD 3.33Å; K8-E102 IonicContact NZ-OE2 2.79Å; K8-E102 PolarHBondContact NZ-OE2 3.35Å; K8-F253 CarbonylContact C-O 3.49Å; K8-F253 WeakPolarHBondContact CA-O 3.27Å; K8-D385 IonicContact NZ-OD1 3.84Å
9G91.7Very high92.7Very high3 Ų310.6 Ų10.63%0.0315%0.052CC..  trans61.730.1169.300000115.3F6 R11 E98 F253F6-G9 WeakPolarHBondContact CD1-O 3.48Å; F6-G9 WeakPolarHBondContact CE1-O 3.39Å; G9-R11 PolarHBondContact O-N 3.19Å; G9-E98 WeakPolarHBondContact CA-OE2 3.13Å; G9-E98 PolarHBondContact N-OE2 3.39Å; G9-F253 PolarHBondContact N-O 3.43Å
10L94.6Very high92.6Very high1 Ų112.4 Ų12.41%0.0056%0.061CC..  trans-72.865.2-174.3-57.2-176.6000112.3F6 K8 Y32 L54 L58 L61 F253 C255F6-L10 HydrophobicContact CB-CD2 3.89Å; F6-L10 HydrophobicContact CD1-CD2 4.29Å; F6-L10 HydrophobicContact CG-CD2 4.41Å; K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 3.07Å; L10-Y32 HydrophobicContact CD2-CD2 4.05Å; L10-Y32 HydrophobicContact CD2-CE2 4Å; L10-L54 HydrophobicContact CD1-CD1 3.71Å; L10-L58 HydrophobicContact CD1-CD2 4.24Å; L10-L58 HydrophobicContact CD2-CD2 4.04Å; L10-L61 HydrophobicContact CD2-CD2 4.39Å; L10-F253 HydrophobicContact CD1-CB 4.49Å; L10-F253 HydrophobicContact CD1-CD1 4.22Å; L10-F253 PolarHBondContact N-O 2.84Å; L10-C255 WeakPolarHBondContact O-CA 3.14Å
11R94.5Very high92.5Very high1 Ų111.8 Ų11.80%0.0046%0.058CC..  trans-156.5158.3-175.563.7175.3-169.3-73.9-12112.8G9 H13 D14 N15 E98 S128 E213 G254G9-R11 PolarHBondContact O-N 3.19Å; R11-H13 WeakPolarHBondContact CD-O 3.33Å; R11-H13 WeakPolarHBondContact CG-O 3.45Å; R11-H13 PolarHBondContact NE-O 3.3Å; R11-D14 PolarHBondContact NE-O 3.23Å; R11-D14 PolarHBondContact NH2-O 3.43Å; R11-N15 PolarHBondContact O-ND2 3.22Å; R11-N15 VanDerWaalsContact O-ND2 3.13Å; R11-E98 IonicContact CZ-OE1 3.37Å; R11-E98 IonicContact NH1-OE1 2.69Å; R11-E98 PolarHBondContact NH1-OE1 3.23Å; R11-E98 IonicContact NH1-OE2 3.49Å; R11-E98 IonicContact NH2-OE1 3.68Å; R11-E98 PolarHBondContact NH2-OE1 3.01Å; R11-S128 PolarHBondContact NH2-OG 2.73Å; R11-E213 VanDerWaalsContact CA-OE2 3.3Å; R11-E213 WeakPolarHBondContact CA-OE2 3.45Å; R11-E213 HydrophobicContact CB-CB 4.4Å; R11-E213 HydrophobicContact CB-CG 4.19Å; R11-G254 WeakPolarHBondContact CD-O 3.3Å; R11-G254 VanDerWaalsContact CG-O 3.24Å; R11-G254 WeakPolarHBondContact CG-O 3.5Å; R11-G254 PolarHBondContact NH1-O 2.58Å
12L92.3Very high92.5Very high15 Ų1510.3 Ų10.38%0.0795%0.05CC..SBendtrans-102.1-24.8172.9-55.6180000112.5F6 L18 L61 L65 L68 E213F6-L12 HydrophobicContact CZ-CD2 4.24Å; L12-L18 HydrophobicContact CD2-CD2 3.71Å; L12-L61 HydrophobicContact CD2-CD1 3.75Å; L12-L61 HydrophobicContact CG-CD1 3.98Å; L12-L65 HydrophobicContact CD2-CD2 4.06Å; L12-L65 HydrophobicContact CD2-CG 4.48Å; L12-L68 HydrophobicContact CD1-CD1 3.72Å; L12-E213 VanDerWaalsContact N-CD 3.3Å; L12-E213 PolarHBondContact N-OE1 2.8Å; L12-E213 VanDerWaalsContact N-OE1 3.17Å; L12-E213 PolarHBondContact N-OE2 3.39Å
13H92.9Very high92.3Very high10 Ų1015 Ų155%0.0468%0.075CC..THydrogen-bonded Turntrans-73.1145.2169.476.7-98.8000112.3R11 N15 P168 E213 C255 S257R11-H13 WeakPolarHBondContact CD-O 3.33Å; R11-H13 WeakPolarHBondContact CG-O 3.45Å; R11-H13 PolarHBondContact NE-O 3.3Å; H13-N15 PolarHBondContact O-N 2.89Å; H13-N15 VanDerWaalsContact O-N 3.13Å; H13-P168 HydrophobicContact CB-CG 4.13Å; H13-E213 WeakPolarHBondContact CB-OE1 3.41Å; H13-E213 IonicContact CE1-OE1 2.81Å; H13-E213 IonicContact CG-OE1 3.56Å; H13-E213 PolarHBondContact N-OE1 3.33Å; H13-E213 IonicContact ND1-OE1 3.89Å; H13-E213 PolarHBondContact ND1-OE1 2.92Å; H13-C255 PolarHBondContact CE1-O 2.94Å; H13-C255 VanDerWaalsContact CE1-O 3.28Å; H13-S257 PolarHBondContact NE2-N 2.95Å
14D93.2Very high91.7Very high2 Ų218.5 Ų18.51%0.01111%0.111CC..THydrogen-bonded Turntrans42.749.5178.2-170.436.6000113.9R11 P16 P165 L166 S257 V260R11-D14 PolarHBondContact NE-O 3.23Å; R11-D14 PolarHBondContact NH2-O 3.43Å; D14-P16 VanDerWaalsContact C-CD 3.47Å; D14-P16 VanDerWaalsContact O-CD 3.24Å; D14-P16 WeakPolarHBondContact O-CD 3.39Å; D14-P165 HydrophobicContact CB-CB 3.83Å; D14-P165 VanDerWaalsContact OD1-CA 3.26Å; D14-P165 WeakPolarHBondContact OD1-CA 3.41Å; D14-L166 PolarHBondContact OD1-N 2.75Å; D14-S257 WeakPolarHBondContact OD2-CB 3.45Å; D14-S257 PolarHBondContact OD2-OG 2.79Å; D14-V260 HydrophobicContact CB-CG2 4.15Å
15N93.9Very high91.4Very high6 Ų618.9 Ų18.93%0.03212%0.115CC..  trans-112.381.6176.5-171.4-21000109.6H4 R11 H13 A17 L18 Q19H4-N15 PolarHBondContact NE2-ND2 3.36Å; R11-N15 PolarHBondContact O-ND2 3.22Å; R11-N15 VanDerWaalsContact O-ND2 3.13Å; H13-N15 PolarHBondContact O-N 2.89Å; H13-N15 VanDerWaalsContact O-N 3.13Å; N15-A17 PolarHBondContact O-N 3.27Å; N15-A17 PolarHBondContact OD1-N 2.91Å; N15-L18 HydrophobicContact CB-CB 4.02Å; N15-L18 VanDerWaalsContact CG-CB 3.41Å; N15-L18 PolarHBondContact O-N 3.07Å; N15-L18 WeakPolarHBondContact OD1-CB 3.25Å; N15-L18 PolarHBondContact OD1-N 3.23Å; N15-Q19 PolarHBondContact O-N 3.06Å
16P93.4Very high90.9Very high14 Ų1424.1 Ų24.19%0.09114%0.143CC..Hα-helixtrans-62.7-24.8179.525.3-35.7000113.7D14 E20 R126 S128 L166D14-P16 VanDerWaalsContact C-CD 3.47Å; D14-P16 VanDerWaalsContact O-CD 3.24Å; D14-P16 WeakPolarHBondContact O-CD 3.39Å; P16-E20 WeakPolarHBondContact O-CG 3.38Å; P16-E20 PolarHBondContact O-N 2.87Å; P16-R126 HydrophobicContact CB-CB 4.13Å; P16-R126 HydrophobicContact CB-CG 4.44Å; P16-R126 HydrophobicContact CG-CB 4.02Å; P16-S128 VanDerWaalsContact CD-OG 3.32Å; P16-S128 WeakPolarHBondContact CD-OG 3.28Å; P16-S128 WeakPolarHBondContact CG-OG 3.11Å; P16-L166 HydrophobicContact CB-CD1 3.77Å
17A93.3Very high90.6Very high0 Ų025.2 Ų25.20%015%0.15CC..Hα-helixtrans-73-41.7176.600000111.5N15 Q19 E20 A21 T96 F97 R126N15-A17 PolarHBondContact O-N 3.27Å; N15-A17 PolarHBondContact OD1-N 2.91Å; A17-Q19 VanDerWaalsContact C-N 3.35Å; A17-E20 PolarHBondContact O-N 3.36Å; A17-A21 PolarHBondContact O-N 3.04Å; A17-A21 VanDerWaalsContact O-N 3.09Å; A17-T96 VanDerWaalsContact C-OG1 3.32Å; A17-T96 WeakPolarHBondContact O-CB 3.22Å; A17-T96 PolarHBondContact O-OG1 2.79Å; A17-F97 VanDerWaalsContact CB-C 3.43Å; A17-F97 WeakPolarHBondContact CB-O 3.47Å; A17-R126 HydrophobicContact CB-CB 4.34Å
18L92.4Very high90.6Very high1 Ų124.2 Ų24.21%0.00515%0.147CC..Hα-helixtrans-65.6-38.5171.4-179.959.7000111.5H4 L12 N15 E20 A21 L22 V28 V169H4-L18 HydrophobicContact CB-CD1 3.85Å; L12-L18 HydrophobicContact CD2-CD2 3.71Å; N15-L18 HydrophobicContact CB-CB 4.02Å; N15-L18 VanDerWaalsContact CG-CB 3.41Å; N15-L18 PolarHBondContact O-N 3.07Å; N15-L18 WeakPolarHBondContact OD1-CB 3.25Å; N15-L18 PolarHBondContact OD1-N 3.23Å; L18-E20 VanDerWaalsContact C-N 3.29Å; L18-E20 PolarHBondContact O-N 3.07Å; L18-A21 VanDerWaalsContact O-CB 3.32Å; L18-A21 WeakPolarHBondContact O-CB 3.41Å; L18-A21 PolarHBondContact O-N 3.27Å; L18-L22 HydrophobicContact CD1-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 4.26Å; L18-L22 PolarHBondContact O-N 3.25Å; L18-V28 HydrophobicContact CD1-CG1 4.35Å; L18-V169 HydrophobicContact CD2-CG2 3.89Å; L18-V169 HydrophobicContact CG-CG2 4.09Å
19Q91.6Very high90.8Very high40 Ų4024.9 Ų24.919%0.18715%0.149CC..Hα-helixtrans-62.8-34.5179-17156.388.900112.9N15 A17 L166N15-Q19 PolarHBondContact O-N 3.06Å; A17-Q19 VanDerWaalsContact C-N 3.35Å; Q19-L166 HydrophobicContact CB-CD1 4.34Å; Q19-L166 HydrophobicContact CG-CD1 4.37Å
20E90.9Very high90.9Very high47 Ų4724.8 Ų24.822%0.2215%0.147CC..Hα-helixtrans-80.1-23.8172.6-63-75.9-159.300112.9P16 A17 L18 L22 N23 R94 V124 R126P16-E20 WeakPolarHBondContact O-CG 3.38Å; P16-E20 PolarHBondContact O-N 2.87Å; A17-E20 PolarHBondContact O-N 3.36Å; L18-E20 VanDerWaalsContact C-N 3.29Å; L18-E20 PolarHBondContact O-N 3.07Å; E20-L22 VanDerWaalsContact C-N 3.29Å; E20-L22 PolarHBondContact O-N 3.14Å; E20-N23 WeakPolarHBondContact O-CB 3.43Å; E20-N23 PolarHBondContact O-N 3Å; E20-N23 PolarHBondContact OE2-ND2 3.43Å; E20-N23 VanDerWaalsContact OE2-ND2 3.07Å; E20-R94 PolarHBondContact O-NH1 3.19Å; E20-V124 HydrophobicContact CB-CG1 4Å; E20-V124 HydrophobicContact CG-CG1 4.31Å; E20-R126 IonicContact OE1-CZ 3.68Å; E20-R126 IonicContact OE1-NH1 2.98Å; E20-R126 PolarHBondContact OE1-NH1 3.4Å; E20-R126 IonicContact OE1-NH2 3.23Å; E20-R126 PolarHBondContact OE1-NH2 2.98Å
21A89.8Confident90.9Very high0 Ų024.7 Ų24.70%015%0.147CC..Hα-helixtrans-64.4-36.2172.300000112S2 H4 A17 L18 N23 A25 V28 T96S2-A21 VanDerWaalsContact CB-O 3.26Å; S2-A21 WeakPolarHBondContact CB-O 3.32Å; S2-A21 PolarHBondContact OG-O 3.16Å; H4-A21 HydrophobicContact CB-CB 4.24Å; A17-A21 PolarHBondContact O-N 3.04Å; A17-A21 VanDerWaalsContact O-N 3.09Å; L18-A21 VanDerWaalsContact O-CB 3.32Å; L18-A21 WeakPolarHBondContact O-CB 3.41Å; L18-A21 PolarHBondContact O-N 3.27Å; A21-N23 VanDerWaalsContact C-N 3.33Å; A21-A25 WeakPolarHBondContact O-CB 3.1Å; A21-V28 WeakPolarHBondContact O-CG2 3.49Å; A21-T96 HydrophobicContact CB-CG2 3.73Å
22L89Confident90.9Very high12 Ų1226 Ų266%0.06315%0.152CC..THydrogen-bonded Turntrans-78.9-12.2177.2-69.1157.3000113.6L18 E20 G24 V28 V169 M174 C177L18-L22 HydrophobicContact CD1-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 4.26Å; L18-L22 PolarHBondContact O-N 3.25Å; E20-L22 VanDerWaalsContact C-N 3.29Å; E20-L22 PolarHBondContact O-N 3.14Å; L22-G24 PolarHBondContact O-N 3.21Å; L22-G24 VanDerWaalsContact O-N 3.1Å; L22-V28 HydrophobicContact CD2-CB 4.28Å; L22-V28 HydrophobicContact CD2-CG2 3.75Å; L22-V28 HydrophobicContact CG-CG2 4.15Å; L22-V169 HydrophobicContact CD1-CB 4.34Å; L22-V169 HydrophobicContact CD1-CG1 3.48Å; L22-V169 VanDerWaalsContact CD1-CG1 3.48Å; L22-V169 HydrophobicContact CD1-CG2 3.86Å; L22-M174 HydrophobicContact CD1-SD 4.09Å; L22-M174 HydrophobicContact CD2-SD 3.65Å; L22-M174 HydrophobicContact CG-SD 4.46Å; L22-C177 HydrophobicContact CD2-CB 3.9Å
23N87.4Confident90.8Very high101 Ų10126 Ų2654%0.5415%0.152SC..THydrogen-bonded Turntrans-80.195.4-172.3-169.110.5000111E20 A21 R94E20-N23 WeakPolarHBondContact O-CB 3.43Å; E20-N23 PolarHBondContact O-N 3Å; E20-N23 PolarHBondContact OE2-ND2 3.43Å; E20-N23 VanDerWaalsContact OE2-ND2 3.07Å; A21-N23 VanDerWaalsContact C-N 3.33Å; N23-R94 PolarHBondContact O-NH1 2.74Å
24G82.4Confident90.5Very high75 Ų7525.7 Ų25.777%0.77315%0.151SC*.THydrogen-bonded Turntrans72.940.1-178.500000113.7L22L22-G24 PolarHBondContact O-N 3.21Å; L22-G24 VanDerWaalsContact O-N 3.1Å
25A87.1Confident89.7Confident10 Ų1026.6 Ų26.68%0.08316%0.156CC..  trans-118.8132.8178.900000112.1S2 A21 V28 C177S2-A25 VanDerWaalsContact OG-CB 3.24Å; S2-A25 WeakPolarHBondContact OG-CB 3.27Å; A21-A25 WeakPolarHBondContact O-CB 3.1Å; A25-V28 HydrophobicContact CB-CG2 4.18Å; A25-C177 PolarHBondContact O-SG 2.83Å
26D85.6Confident88.2Confident117 Ų11729.4 Ų29.463%0.62617%0.174SC*.SBendtrans-74.7-33.7-179.5-26.7-93.8000112C177D26-C177 CarbonylContact O-C 3.56Å; D26-C177 WeakPolarHBondContact O-CA 3.46Å
27T88.8Confident86.5Confident24 Ų2437.9 Ų37.915%0.14721%0.205CC..  trans-137.2139.2174.565.70000110.4N1 S2 C177N1-T27 PolarHBondContact OD1-OG1 3.49Å; S2-T27 PolarHBondContact N-O 3.1Å; T27-C177 CarbonylContact C-O 3.45Å; T27-C177 WeakPolarHBondContact CA-O 3.42Å
28V90.8Very high84.7Confident6 Ų643.5 Ų43.54%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-119.9131.4168.21740000109.5S2 L18 A21 L22 A25 C177S2-V28 WeakPolarHBondContact O-CA 3.4Å; L18-V28 HydrophobicContact CD1-CG1 4.35Å; A21-V28 WeakPolarHBondContact O-CG2 3.49Å; L22-V28 HydrophobicContact CD2-CB 4.28Å; L22-V28 HydrophobicContact CD2-CG2 3.75Å; L22-V28 HydrophobicContact CG-CG2 4.15Å; A25-V28 HydrophobicContact CB-CG2 4.18Å; V28-C177 HydrophobicContact CB-CB 4.32Å; V28-C177 HydrophobicContact CG2-CB 3.9Å; V28-C177 PolarHBondContact N-O 2.79Å
29R91.3Very high82.7Confident38 Ų3844 Ų4414%0.14323%0.234CC..EExtended strand (participates in β ladder)trans-116128.9168.9-67.4178.4-177.984.7-11.1110.2S2 V3 H4 F73 W90S2-R29 PolarHBondContact O-N 2.72Å; V3-R29 WeakPolarHBondContact CA-O 3.43Å; H4-R29 PolarHBondContact N-O 2.88Å; R29-F73 HydrophobicContact CB-CD2 4.37Å; R29-F73 HydrophobicContact CB-CE2 4.35Å; R29-F73 HydrophobicContact CG-CE2 4.21Å; R29-F73 HydrophobicContact CG-CZ 4.37Å; R29-W90 HydrophobicContact CB-CE3 4.5Å; R29-W90 HydrophobicContact CB-CZ3 4.21Å
30C93.4Very high80.2Confident0 Ų045.2 Ų45.20%026%0.257CS..EExtended strand (participates in β ladder)trans-92.1116.5175.5-73.20000109.3F6 L65 L72 F73F6-C30 HydrophobicContact CD2-CB 4.39Å; F6-C30 HydrophobicContact CE2-CB 3.88Å; C30-L65 HydrophobicContact CB-CD1 3.64Å; C30-L65 HydrophobicContact CB-CD2 4.42Å; C30-L72 HydrophobicContact CB-CD1 4.44Å; C30-F73 WeakPolarHBondContact O-CB 3.4Å; C30-F73 PolarHBondContact O-N 3.24Å
31V94.3Very high77.9Confident0 Ų047.1 Ų47.10%028%0.281CS..EExtended strand (participates in β ladder)trans-117.1135.1-173.6178.20000110.8V3 H4 W5 F6 V33 F73 V75 L86 W90V3-V31 HydrophobicContact CG1-CB 4.13Å; V3-V31 HydrophobicContact CG1-CG2 3.66Å; H4-V31 PolarHBondContact O-N 3.34Å; W5-V31 WeakPolarHBondContact CA-O 3.38Å; F6-V31 PolarHBondContact N-O 3.31Å; V31-V33 HydrophobicContact CG1-CG2 4Å; V31-F73 WeakPolarHBondContact CA-O 3.3Å; V31-F73 HydrophobicContact CG2-CB 4.2Å; V31-V75 HydrophobicContact CG1-CG2 4.1Å; V31-L86 HydrophobicContact CG1-CD1 4.33Å; V31-W90 HydrophobicContact CG2-CH2 4.05Å; V31-W90 HydrophobicContact CG2-CZ3 3.67Å
32Y94.5Very high75.8Confident28 Ų2847.7 Ų47.711%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-114.3130.3160.6-170.3-91000108.7F6 L10 L34 L54 L58 F73 V74 V75F6-Y32 HydrophobicContact CB-CD2 3.94Å; F6-Y32 WeakPolarHBondContact O-CD2 3.44Å; L10-Y32 HydrophobicContact CD2-CD2 4.05Å; L10-Y32 HydrophobicContact CD2-CE2 4Å; Y32-L34 HydrophobicContact CD1-CB 4.09Å; Y32-L34 HydrophobicContact CE1-CB 4.07Å; Y32-L34 HydrophobicContact CE1-CG 4.49Å; Y32-L54 HydrophobicContact CE2-CD1 4.36Å; Y32-L58 HydrophobicContact CD1-CD1 3.78Å; Y32-L58 HydrophobicContact CD1-CD2 4.18Å; Y32-L58 HydrophobicContact CD2-CD2 3.58Å; Y32-L58 HydrophobicContact CE1-CD1 4Å; Y32-L58 HydrophobicContact CE2-CD2 3.98Å; Y32-L58 HydrophobicContact CG-CD1 4.13Å; Y32-L58 HydrophobicContact CG-CD2 3.69Å; Y32-F73 PolarHBondContact N-O 2.78Å; Y32-V74 WeakPolarHBondContact O-CA 3.46Å; Y32-V75 PolarHBondContact O-N 3.21Å
33V91.5Very high73.6Confident14 Ų1452.9 Ų52.99%0.08531%0.313CS..EExtended strand (participates in β ladder)trans-99.8108.4176.2-177.30000108.1V31 V75 G77 P79 V82 F83V31-V33 HydrophobicContact CG1-CG2 4Å; V33-V75 CarbonylContact C-O 3.53Å; V33-V75 WeakPolarHBondContact CA-O 3.26Å; V33-G77 WeakPolarHBondContact CG1-O 3.26Å; V33-P79 HydrophobicContact CB-CG 4.41Å; V33-P79 HydrophobicContact CG1-CG 3.94Å; V33-V82 HydrophobicContact CG1-CG2 4.34Å; V33-V82 HydrophobicContact CG2-CG1 4.2Å; V33-F83 HydrophobicContact CG2-CE2 4.27Å; V33-F83 HydrophobicContact CG2-CZ 4.19Å
34L86.5Confident71.6Confident4 Ų452.8 Ų52.82%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-96.6106.6179.5-168.8153.1000108.7Y32 P36 W51 L55 V74 V75 R76 G77 P192 L197Y32-L34 HydrophobicContact CD1-CB 4.09Å; Y32-L34 HydrophobicContact CE1-CB 4.07Å; Y32-L34 HydrophobicContact CE1-CG 4.49Å; L34-P36 WeakPolarHBondContact O-CD 3.49Å; L34-W51 HydrophobicContact CD1-CZ3 4.21Å; L34-W51 HydrophobicContact CD2-CZ3 4.39Å; L34-W51 HydrophobicContact CG-CZ3 4.22Å; L34-L55 HydrophobicContact CD1-CD2 4.44Å; L34-V74 HydrophobicContact CB-CG1 3.98Å; L34-V74 HydrophobicContact CD1-CG1 4.31Å; L34-V75 PolarHBondContact N-O 3.31Å; L34-R76 WeakPolarHBondContact O-CA 3.32Å; L34-G77 PolarHBondContact O-N 3.48Å; L34-P192 HydrophobicContact CD1-CG 3.67Å; L34-L197 HydrophobicContact CD2-CD2 4.18Å
35D76.6Confident69.8Low21 Ų2150.6 Ų50.611%0.11229%0.293CS..  trans-83.8114.2180-175.6-5.2000110.8W37 F38D35-W37 PolarHBondContact O-N 3.15Å; D35-W37 WeakPolarHBondContact OD1-CB 3.47Å; D35-W37 PolarHBondContact OD1-N 2.77Å; D35-F38 HydrophobicContact CB-CD2 4.01Å; D35-F38 PolarHBondContact O-N 2.96Å; D35-F38 WeakPolarHBondContact OD2-CD2 3.46Å
36P62.6Low68Low65 Ų6552.2 Ų52.242%0.42230%0.3SS..THydrogen-bonded Turntrans-68.8-17.4179.530.1-36000113.4L34 F38 A39 G40L34-P36 WeakPolarHBondContact O-CD 3.49Å; P36-F38 VanDerWaalsContact C-N 3.32Å; P36-F38 PolarHBondContact O-N 3.37Å; P36-A39 WeakPolarHBondContact O-CB 3.44Å; P36-A39 PolarHBondContact O-N 2.81Å; P36-A39 VanDerWaalsContact O-N 3.11Å; P36-G40 PolarHBondContact O-N 3.08Å
37W57.5Low66.7Low192 Ų19247.6 Ų47.673%0.72728%0.275SS*.Hα-helixtrans-64.9-36.5174.1-95.144.7000112D35 A39 G40 A41D35-W37 PolarHBondContact O-N 3.15Å; D35-W37 WeakPolarHBondContact OD1-CB 3.47Å; D35-W37 PolarHBondContact OD1-N 2.77Å; W37-A39 PolarHBondContact O-N 2.8Å; W37-G40 PolarHBondContact O-N 3.38Å; W37-A41 WeakPolarHBondContact O-CB 3.41Å; W37-A41 PolarHBondContact O-N 3.39Å
38F55.8Low65.9Low118 Ų11849 Ų4952%0.51828%0.278SS..Hα-helixtrans-69.2-18.5173.4-79.6-87.7000113.4D35 P36 W51 Y104D35-F38 HydrophobicContact CB-CD2 4.01Å; D35-F38 PolarHBondContact O-N 2.96Å; D35-F38 WeakPolarHBondContact OD2-CD2 3.46Å; P36-F38 VanDerWaalsContact C-N 3.32Å; P36-F38 PolarHBondContact O-N 3.37Å; F38-W51 HydrophobicContact CB-CZ2 4.43Å; F38-Y104 HydrophobicContact CZ-CE1 4.31Å
39A49.2Very low65.2Low13 Ų1350 Ų5011%0.10728%0.281CS..Hα-helixtrans-84.2-44.6170.900000111.4P36 W37 W51P36-A39 WeakPolarHBondContact O-CB 3.44Å; P36-A39 PolarHBondContact O-N 2.81Å; P36-A39 VanDerWaalsContact O-N 3.11Å; W37-A39 PolarHBondContact O-N 2.8Å; A39-W51 HydrophobicContact CB-CH2 4.15Å; A39-W51 HydrophobicContact CB-CZ2 3.75Å
40G39.7Very low64.8Low64 Ų6451 Ų5166%0.6629%0.285SS*.Hα-helixtrans-76.1-29.5-177.400000115.4P36 W37 A42P36-G40 PolarHBondContact O-N 3.08Å; W37-G40 PolarHBondContact O-N 3.38Å; G40-A42 VanDerWaalsContact C-N 3.34Å
41A41.8Very low64.4Low87 Ų8752.2 Ų52.272%0.71929%0.29SS*.SBendtrans-80.6-13.8176.100000113.3W37W37-A41 WeakPolarHBondContact O-CB 3.41Å; W37-A41 PolarHBondContact O-N 3.39Å
42A45.3Very low64Low12 Ų1254 Ų5410%0.09930%0.296CS..SBendtrans-88.4120.3175.200000110.3G40 V44 N47G40-A42 VanDerWaalsContact C-N 3.34Å; A42-V44 PolarHBondContact O-N 2.87Å; A42-N47 HydrophobicContact CB-CB 4.42Å; A42-N47 WeakPolarHBondContact CB-ND2 3.35Å
43N43.8Very low63.9Low122 Ų12252.8 Ų52.865%0.65229%0.292SS*.  trans-54.7129.4-178.9-81.7-51.1000111.8G45 I46N43-G45 PolarHBondContact O-N 3.24Å; N43-I46 PolarHBondContact O-N 2.85Å
44V44.8Very low63.8Low99 Ų9952.8 Ų52.860%0.629%0.291SS*.THydrogen-bonded Turntrans-75.958.4-149.4-162.90000114.4A42 F199A42-V44 PolarHBondContact O-N 2.87Å; V44-F199 HydrophobicContact CG1-CD1 4.38Å
45G45.8Very low64.1Low28 Ų2852.8 Ų52.829%0.28929%0.291SS..THydrogen-bonded Turntrans-177-20.7176.200000116.1N43N43-G45 PolarHBondContact O-N 3.24Å
46I49.5Very low64.8Low44 Ų4453.5 Ų53.523%0.22629%0.294CS..THydrogen-bonded Turntrans-84.6-49.5-171.8-51.4-174.7000111.3N43 R48 E379 L380N43-I46 PolarHBondContact O-N 2.85Å; I46-R48 PolarHBondContact O-N 3.03Å; I46-E379 HydrophobicContact CB-CB 4.41Å; I46-E379 WeakPolarHBondContact CD1-OE2 3.49Å; I46-E379 HydrophobicContact CG2-CB 3.68Å; I46-L380 HydrophobicContact CG2-CD2 3.38Å; I46-L380 HydrophobicContact CG2-CG 3.64Å
47N57.8Low66.3Low20 Ų2050.4 Ų50.411%0.10727%0.274CS..THydrogen-bonded Turntrans-69.76.4-179.1-63.323.5000114.5A42 W49 R50 W51 E379A42-N47 HydrophobicContact CB-CB 4.42Å; A42-N47 WeakPolarHBondContact CB-ND2 3.35Å; N47-W49 VanDerWaalsContact C-N 3.33Å; N47-W49 PolarHBondContact O-N 3.29Å; N47-R50 PolarHBondContact O-N 3.38Å; N47-R50 VanDerWaalsContact O-N 3.12Å; N47-W51 PolarHBondContact O-N 3.29Å; N47-E379 WeakPolarHBondContact CA-O 3.38Å; N47-E379 VanDerWaalsContact OD1-CA 3.25Å; N47-E379 WeakPolarHBondContact OD1-CA 3.39Å; N47-E379 VanDerWaalsContact OD1-CB 3.23Å; N47-E379 WeakPolarHBondContact OD1-CB 3.43Å; N47-E379 WeakPolarHBondContact OD1-CG 3.41Å; N47-E379 PolarHBondContact OD1-O 3.22Å
48R71.6Confident68.1Low54 Ų5441.3 Ų41.320%0.20424%0.239CC..Hα-helixtrans-55.9-41.8-170.6-173.2-163.5-83.5129.3-18.6113I46 W51 R52 R200I46-R48 PolarHBondContact O-N 3.03Å; R48-W51 PolarHBondContact O-N 2.8Å; R48-R52 PolarHBondContact O-N 3.02Å; R48-R200 PolarHBondContact NE-O 3.41Å; R48-R200 PolarHBondContact NH2-O 3.14Å
49W75.4Confident69.9Low27 Ų2740.2 Ų40.210%0.10224%0.235CC..Hα-helixtrans-66.9-43.1179.4-54.2121.9000111.8N47 W51 R52 F53 L204 P205 R344 Q345 L382N47-W49 VanDerWaalsContact C-N 3.33Å; N47-W49 PolarHBondContact O-N 3.29Å; W49-W51 VanDerWaalsContact C-N 3.34Å; W49-W51 PolarHBondContact O-N 3.11Å; W49-R52 PolarHBondContact O-N 2.87Å; W49-F53 WeakPolarHBondContact O-CB 3.49Å; W49-F53 PolarHBondContact O-N 2.96Å; W49-L204 HydrophobicContact CH2-CD2 4.24Å; W49-P205 HydrophobicContact CH2-CG 3.99Å; W49-R344 PolarHBondContact NE1-O 2.92Å; W49-Q345 WeakPolarHBondContact CZ2-O 3.38Å; W49-L382 HydrophobicContact CB-CD2 3.97Å; W49-L382 HydrophobicContact CB-CG 4.5Å; W49-L382 WeakPolarHBondContact O-CD2 3.33Å
50R83.4Confident72.1Confident60 Ų6040.9 Ų40.923%0.22624%0.237CC..Hα-helixtrans-63-39.7177-174.7177.8162.9170.9-7111.4N47 L54 F253 E378 L382N47-R50 PolarHBondContact O-N 3.38Å; N47-R50 VanDerWaalsContact O-N 3.12Å; R50-L54 WeakPolarHBondContact O-CB 3.43Å; R50-L54 PolarHBondContact O-N 2.97Å; R50-L54 VanDerWaalsContact O-N 3.09Å; R50-F253 HydrophobicContact CG-CZ 3.95Å; R50-E378 PolarHBondContact NH1-O 3.33Å; R50-E378 IonicContact NH1-OE1 2.76Å; R50-L382 HydrophobicContact CB-CD2 4.41Å
51W84Confident74.7Confident25 Ų2537.9 Ų37.910%0.09521%0.206CC..Hα-helixtrans-67.8-46.4172.6-80.6109.3000112.9L34 F38 A39 N47 R48 W49 F53 L54 L55 L194 L197 F199L34-W51 HydrophobicContact CD1-CZ3 4.21Å; L34-W51 HydrophobicContact CD2-CZ3 4.39Å; L34-W51 HydrophobicContact CG-CZ3 4.22Å; F38-W51 HydrophobicContact CB-CZ2 4.43Å; A39-W51 HydrophobicContact CB-CH2 4.15Å; A39-W51 HydrophobicContact CB-CZ2 3.75Å; N47-W51 PolarHBondContact O-N 3.29Å; R48-W51 PolarHBondContact O-N 2.8Å; W49-W51 VanDerWaalsContact C-N 3.34Å; W49-W51 PolarHBondContact O-N 3.11Å; W51-F53 PolarHBondContact O-N 2.98Å; W51-L54 HydrophobicContact CE3-CD2 4.02Å; W51-L54 HydrophobicContact CZ3-CD2 3.88Å; W51-L54 WeakPolarHBondContact O-CB 3.48Å; W51-L54 PolarHBondContact O-N 3.48Å; W51-L55 WeakPolarHBondContact O-CG 3.37Å; W51-L55 PolarHBondContact O-N 2.89Å; W51-L194 HydrophobicContact CB-CD2 4.16Å; W51-L197 HydrophobicContact CD2-CD1 4.29Å; W51-L197 HydrophobicContact CE3-CD1 3.73Å; W51-L197 HydrophobicContact CZ3-CD1 4.09Å; W51-F199 HydrophobicContact CB-CE2 3.92Å; W51-F199 HydrophobicContact CB-CZ 4.38Å; W51-F199 AromaticContact CD1-CE2 3.62Å; W51-F199 AromaticContact CD1-CZ 3.28Å; W51-F199 HydrophobicContact CD2-CE2 4.2Å; W51-F199 HydrophobicContact CD2-CZ 4.47Å; W51-F199 AromaticContact CG-CE2 3.64Å; W51-F199 HydrophobicContact CG-CE2 3.64Å; W51-F199 AromaticContact CG-CZ 3.82Å; W51-F199 HydrophobicContact CG-CZ 3.82Å; W51-F199 AromaticContact NE1-CZ 3.68Å
52R87.3Confident77.1Confident38 Ų3834 Ų3414%0.14317%0.173CC..Hα-helixtrans-64-43.3178.7-158.1-175.166.8-146.8-24.7111.9R48 W49 L54 L55 E56 L194 P205 A207R48-R52 PolarHBondContact O-N 3.02Å; W49-R52 PolarHBondContact O-N 2.87Å; R52-L54 VanDerWaalsContact C-N 3.28Å; R52-L54 PolarHBondContact O-N 2.87Å; R52-L55 PolarHBondContact O-N 3.46Å; R52-E56 VanDerWaalsContact CD-OE1 3.28Å; R52-E56 WeakPolarHBondContact CD-OE1 3.23Å; R52-E56 HydrophobicContact CG-CG 4.24Å; R52-E56 WeakPolarHBondContact CG-OE1 3.36Å; R52-E56 IonicContact CZ-OE1 2.65Å; R52-E56 IonicContact NE-OE1 2.88Å; R52-E56 PolarHBondContact NE-OE1 3.03Å; R52-E56 WeakPolarHBondContact O-CB 3.35Å; R52-E56 VanDerWaalsContact O-CG 3.22Å; R52-E56 WeakPolarHBondContact O-CG 3.41Å; R52-E56 PolarHBondContact O-N 2.99Å; R52-L194 HydrophobicContact CB-CD1 4.04Å; R52-L194 HydrophobicContact CB-CD2 4.33Å; R52-L194 HydrophobicContact CG-CD1 3.82Å; R52-L194 HydrophobicContact CG-CG 4.45Å; R52-P205 PolarHBondContact NH1-O 2.9Å; R52-A207 VanDerWaalsContact NH2-CA 3.27Å; R52-A207 VanDerWaalsContact NH2-CB 3.25Å
53F90.9Very high79.4Confident2 Ų236.9 Ų36.91%0.00919%0.187CC..Hα-helixtrans-61-37.3175.6-170.7-80.9000111.9W49 W51 S57 W209 R210 P249 Y250 F253 L382W49-F53 WeakPolarHBondContact O-CB 3.49Å; W49-F53 PolarHBondContact O-N 2.96Å; W51-F53 PolarHBondContact O-N 2.98Å; F53-S57 WeakPolarHBondContact O-CB 3.37Å; F53-S57 PolarHBondContact O-N 2.98Å; F53-S57 VanDerWaalsContact O-N 3.07Å; F53-S57 PolarHBondContact O-OG 2.8Å; F53-W209 HydrophobicContact CD2-CB 4.17Å; F53-W209 HydrophobicContact CE2-CB 4.23Å; F53-R210 VanDerWaalsContact CE2-O 3.25Å; F53-R210 WeakPolarHBondContact CE2-O 3.48Å; F53-P249 HydrophobicContact CE1-CB 4.23Å; F53-P249 HydrophobicContact CE2-CB 3.77Å; F53-P249 HydrophobicContact CZ-CB 3.61Å; F53-Y250 HydrophobicContact CE2-CD1 4.33Å; F53-Y250 AromaticContact CE2-CE1 3.86Å; F53-Y250 HydrophobicContact CE2-CE1 3.86Å; F53-Y250 AromaticContact CZ-CD1 3.67Å; F53-Y250 HydrophobicContact CZ-CD1 3.67Å; F53-Y250 AromaticContact CZ-CE1 3.67Å; F53-Y250 HydrophobicContact CZ-CE1 3.67Å; F53-Y250 HydrophobicContact CZ-CG 4.26Å; F53-F253 HydrophobicContact CD1-CD1 4.4Å; F53-F253 AromaticContact CD1-CD2 3.42Å; F53-F253 HydrophobicContact CD1-CD2 3.42Å; F53-F253 VanDerWaalsContact CD1-CD2 3.42Å; F53-F253 HydrophobicContact CD1-CE1 4.44Å; F53-F253 AromaticContact CD1-CE2 3.46Å; F53-F253 HydrophobicContact CD1-CE2 3.46Å; F53-F253 VanDerWaalsContact CD1-CE2 3.46Å; F53-F253 AromaticContact CD1-CG 3.9Å; F53-F253 HydrophobicContact CD1-CG 3.9Å; F53-F253 AromaticContact CD1-CZ 3.98Å; F53-F253 HydrophobicContact CD1-CZ 3.98Å; F53-F253 HydrophobicContact CE1-CB 4.08Å; F53-F253 AromaticContact CE1-CD2 3.39Å; F53-F253 HydrophobicContact CE1-CD2 3.39Å; F53-F253 AromaticContact CE1-CE2 3.93Å; F53-F253 HydrophobicContact CE1-CE2 3.93Å; F53-F253 AromaticContact CE1-CG 3.8Å; F53-F253 HydrophobicContact CE1-CG 3.8Å; F53-F253 HydrophobicContact CG-CE2 4.31Å; F53-L382 HydrophobicContact CB-CD2 3.88Å; F53-L382 HydrophobicContact CG-CD2 4.32Å
54L91.3Very high81.7Confident13 Ų1331.7 Ų31.77%0.06816%0.161CC..Hα-helixtrans-63.4-52.4172.7176.656.8000111.3L10 Y32 R50 W51 R52 S57 L58 F253L10-L54 HydrophobicContact CD1-CD1 3.71Å; Y32-L54 HydrophobicContact CE2-CD1 4.36Å; R50-L54 WeakPolarHBondContact O-CB 3.43Å; R50-L54 PolarHBondContact O-N 2.97Å; R50-L54 VanDerWaalsContact O-N 3.09Å; W51-L54 HydrophobicContact CE3-CD2 4.02Å; W51-L54 HydrophobicContact CZ3-CD2 3.88Å; W51-L54 WeakPolarHBondContact O-CB 3.48Å; W51-L54 PolarHBondContact O-N 3.48Å; R52-L54 VanDerWaalsContact C-N 3.28Å; R52-L54 PolarHBondContact O-N 2.87Å; L54-S57 CarbonylContact O-C 3.59Å; L54-S57 WeakPolarHBondContact O-CA 3.46Å; L54-S57 WeakPolarHBondContact O-CB 3.2Å; L54-S57 PolarHBondContact O-N 3.15Å; L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CD2 4.33Å; L54-L58 HydrophobicContact CD1-CG 4.15Å; L54-L58 HydrophobicContact CG-CD1 4.35Å; L54-L58 WeakPolarHBondContact O-CG 3.31Å; L54-L58 PolarHBondContact O-N 2.92Å; L54-F253 HydrophobicContact CB-CE1 3.87Å; L54-F253 HydrophobicContact CB-CZ 4.48Å; L54-F253 HydrophobicContact CD1-CD1 4.22Å; L54-F253 HydrophobicContact CD1-CE1 4.06Å; L54-F253 HydrophobicContact CG-CE1 4.45Å
55L90.9Very high83.8Confident5 Ų527 Ų273%0.02613%0.132CC..Hα-helixtrans-60.8-47.9-179-64.6175.8000111.8L34 W51 R52 S57 L58 E59 I191 P192 L194 L197L34-L55 HydrophobicContact CD1-CD2 4.44Å; W51-L55 WeakPolarHBondContact O-CG 3.37Å; W51-L55 PolarHBondContact O-N 2.89Å; R52-L55 PolarHBondContact O-N 3.46Å; L55-S57 PolarHBondContact O-N 2.84Å; L55-L58 PolarHBondContact O-N 3.23Å; L55-E59 WeakPolarHBondContact O-CG 3.43Å; L55-E59 PolarHBondContact O-N 2.83Å; L55-I191 HydrophobicContact CB-CG2 4.48Å; L55-I191 HydrophobicContact CD2-CG2 3.78Å; L55-P192 VanDerWaalsContact CD1-O 3.31Å; L55-P192 WeakPolarHBondContact CD1-O 3.24Å; L55-P192 HydrophobicContact CD2-CG 4.18Å; L55-P192 VanDerWaalsContact CD2-O 3.3Å; L55-P192 WeakPolarHBondContact CD2-O 3.36Å; L55-L194 HydrophobicContact CD1-CD2 3.83Å; L55-L194 HydrophobicContact CD1-CG 4.03Å; L55-L197 HydrophobicContact CD1-CD1 4.08Å; L55-L197 HydrophobicContact CD2-CD1 4.41Å
56E92.6Very high85.9Confident36 Ų3629.8 Ų29.817%0.16814%0.136CC..Hα-helixtrans-55-33.9172.5-70.8166.2-17800111.9R52 D60 R210 G211R52-E56 VanDerWaalsContact CD-OE1 3.28Å; R52-E56 WeakPolarHBondContact CD-OE1 3.23Å; R52-E56 HydrophobicContact CG-CG 4.24Å; R52-E56 WeakPolarHBondContact CG-OE1 3.36Å; R52-E56 IonicContact CZ-OE1 2.65Å; R52-E56 IonicContact NE-OE1 2.88Å; R52-E56 PolarHBondContact NE-OE1 3.03Å; R52-E56 WeakPolarHBondContact O-CB 3.35Å; R52-E56 VanDerWaalsContact O-CG 3.22Å; R52-E56 WeakPolarHBondContact O-CG 3.41Å; R52-E56 PolarHBondContact O-N 2.99Å; E56-D60 WeakPolarHBondContact O-CB 3.3Å; E56-D60 PolarHBondContact O-N 3.37Å; E56-D60 VanDerWaalsContact O-N 3.09Å; E56-R210 VanDerWaalsContact OE2-CA 3.25Å; E56-R210 WeakPolarHBondContact OE2-CA 3.48Å; E56-G211 PolarHBondContact OE2-N 3.34Å
57S94.8Very high87.8Confident0 Ų033.9 Ų33.90%015%0.152CC..Hα-helixtrans-76.1-31.9175.7-56.90000113.7F53 L54 L55 L61 G211 G212F53-S57 WeakPolarHBondContact O-CB 3.37Å; F53-S57 PolarHBondContact O-N 2.98Å; F53-S57 VanDerWaalsContact O-N 3.07Å; F53-S57 PolarHBondContact O-OG 2.8Å; L54-S57 CarbonylContact O-C 3.59Å; L54-S57 WeakPolarHBondContact O-CA 3.46Å; L54-S57 WeakPolarHBondContact O-CB 3.2Å; L54-S57 PolarHBondContact O-N 3.15Å; L55-S57 PolarHBondContact O-N 2.84Å; S57-L61 VanDerWaalsContact O-CB 3.29Å; S57-L61 WeakPolarHBondContact O-CB 3.26Å; S57-L61 PolarHBondContact O-N 2.92Å; S57-G211 WeakPolarHBondContact OG-CA 3.06Å; S57-G212 PolarHBondContact OG-N 2.75Å
58L94.1Very high89.2Confident0 Ų034 Ų340%015%0.153CC..Hα-helixtrans-74.3-35.5173-61179.9000111.2L10 Y32 L54 L55 L61 D62 L72 I191L10-L58 HydrophobicContact CD1-CD2 4.24Å; L10-L58 HydrophobicContact CD2-CD2 4.04Å; Y32-L58 HydrophobicContact CD1-CD1 3.78Å; Y32-L58 HydrophobicContact CD1-CD2 4.18Å; Y32-L58 HydrophobicContact CD2-CD2 3.58Å; Y32-L58 HydrophobicContact CE1-CD1 4Å; Y32-L58 HydrophobicContact CE2-CD2 3.98Å; Y32-L58 HydrophobicContact CG-CD1 4.13Å; Y32-L58 HydrophobicContact CG-CD2 3.69Å; L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CD2 4.33Å; L54-L58 HydrophobicContact CD1-CG 4.15Å; L54-L58 HydrophobicContact CG-CD1 4.35Å; L54-L58 WeakPolarHBondContact O-CG 3.31Å; L54-L58 PolarHBondContact O-N 2.92Å; L55-L58 PolarHBondContact O-N 3.23Å; L58-L61 PolarHBondContact O-N 3.49Å; L58-D62 WeakPolarHBondContact O-CB 3.21Å; L58-D62 PolarHBondContact O-N 3.03Å; L58-L72 HydrophobicContact CB-CD2 3.84Å; L58-L72 HydrophobicContact CD2-CD2 4.03Å; L58-L72 HydrophobicContact CG-CD2 4.44Å; L58-L72 WeakPolarHBondContact O-CD2 3.29Å; L58-I191 HydrophobicContact CB-CD1 4.2Å; L58-I191 HydrophobicContact CB-CG1 4.16Å; L58-I191 HydrophobicContact CB-CG2 4.33Å
59E93.7Very high89.9Confident95 Ų9535.8 Ų35.844%0.44417%0.167SC..Hα-helixtrans-64-47.5173.9-73.7173.4-158.200111.7L55 L61 D62 N63 I191L55-E59 WeakPolarHBondContact O-CG 3.43Å; L55-E59 PolarHBondContact O-N 2.83Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.47Å; E59-D62 PolarHBondContact O-N 2.85Å; E59-N63 VanDerWaalsContact O-CB 3.23Å; E59-N63 WeakPolarHBondContact O-CB 3.45Å; E59-N63 PolarHBondContact O-N 3.46Å; E59-N63 PolarHBondContact O-ND2 3.29Å; E59-I191 HydrophobicContact CB-CD1 4.36Å; E59-I191 HydrophobicContact CG-CD1 3.89Å; E59-I191 HydrophobicContact CG-CG2 4.32Å
60D95.1Very high90.4Very high27 Ų2735.1 Ų35.114%0.14417%0.166CC..Hα-helixtrans-64.1-34.3175.8-177.357.2000112.4E56 S64 G212 E213 S214E56-D60 WeakPolarHBondContact O-CB 3.3Å; E56-D60 PolarHBondContact O-N 3.37Å; E56-D60 VanDerWaalsContact O-N 3.09Å; D60-S64 VanDerWaalsContact O-CB 3.26Å; D60-S64 WeakPolarHBondContact O-CB 3.26Å; D60-S64 PolarHBondContact O-N 3.44Å; D60-S64 PolarHBondContact O-OG 3.22Å; D60-G212 VanDerWaalsContact OD2-CA 3.29Å; D60-G212 WeakPolarHBondContact OD2-CA 3.37Å; D60-E213 WeakPolarHBondContact OD2-CA 3.3Å; D60-E213 PolarHBondContact OD2-N 2.93Å; D60-S214 VanDerWaalsContact OD1-CB 3.24Å; D60-S214 WeakPolarHBondContact OD1-CB 3.44Å; D60-S214 PolarHBondContact OD1-OG 3.34Å; D60-S214 PolarHBondContact OD2-N 3.34Å; D60-S214 PolarHBondContact OD2-OG 2.86Å
61L93.8Very high90.7Very high2 Ų233.7 Ų33.71%0.0116%0.16CC..Hα-helixtrans-68.7-45.4174.7-17759.9000112F6 L10 L12 S57 L58 E59 S64 L65 L72F6-L61 HydrophobicContact CD1-CD2 4.01Å; F6-L61 HydrophobicContact CD2-CD2 3.84Å; F6-L61 HydrophobicContact CE1-CD1 4.29Å; F6-L61 HydrophobicContact CE1-CD2 4.03Å; F6-L61 HydrophobicContact CE2-CD1 4.32Å; F6-L61 HydrophobicContact CE2-CD2 3.85Å; F6-L61 HydrophobicContact CE2-CG 4.45Å; F6-L61 HydrophobicContact CG-CD2 3.91Å; F6-L61 HydrophobicContact CZ-CD1 3.89Å; F6-L61 HydrophobicContact CZ-CD2 3.95Å; F6-L61 HydrophobicContact CZ-CG 4.44Å; L10-L61 HydrophobicContact CD2-CD2 4.39Å; L12-L61 HydrophobicContact CD2-CD1 3.75Å; L12-L61 HydrophobicContact CG-CD1 3.98Å; S57-L61 VanDerWaalsContact O-CB 3.29Å; S57-L61 WeakPolarHBondContact O-CB 3.26Å; S57-L61 PolarHBondContact O-N 2.92Å; L58-L61 PolarHBondContact O-N 3.49Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.47Å; L61-S64 PolarHBondContact O-N 2.68Å; L61-L65 HydrophobicContact CD1-CD1 4.45Å; L61-L65 HydrophobicContact CG-CD1 4.25Å; L61-L65 WeakPolarHBondContact O-CB 3.43Å; L61-L65 WeakPolarHBondContact O-CG 3.28Å; L61-L65 PolarHBondContact O-N 2.97Å; L61-L72 HydrophobicContact CD2-CD1 4.06Å; L61-L72 HydrophobicContact CD2-CD2 4.35Å; L61-L72 HydrophobicContact CG-CD1 4.49Å
62D93.4Very high91.1Very high4 Ų432.6 Ų32.62%0.02116%0.157CC..Hα-helixtrans-64.5-41.3173.6-174.248.8000111.6L58 E59 S64 L65 K66 R71 L72 I191L58-D62 WeakPolarHBondContact O-CB 3.21Å; L58-D62 PolarHBondContact O-N 3.03Å; E59-D62 PolarHBondContact O-N 2.85Å; D62-S64 PolarHBondContact O-N 3.02Å; D62-L65 PolarHBondContact O-N 3.2Å; D62-K66 WeakPolarHBondContact O-CB 3.29Å; D62-K66 VanDerWaalsContact O-CG 3.28Å; D62-K66 WeakPolarHBondContact O-CG 3.4Å; D62-K66 PolarHBondContact O-N 2.85Å; D62-K66 WeakPolarHBondContact OD2-CE 3.31Å; D62-K66 IonicContact OD2-NZ 3.08Å; D62-K66 PolarHBondContact OD2-NZ 3.41Å; D62-R71 WeakPolarHBondContact OD1-CA 3.33Å; D62-R71 IonicContact OD1-CZ 3.24Å; D62-R71 IonicContact OD1-NE 2.81Å; D62-R71 PolarHBondContact OD1-NE 3.38Å; D62-R71 IonicContact OD1-NH2 2.88Å; D62-R71 IonicContact OD2-CZ 3.07Å; D62-R71 IonicContact OD2-NE 3.41Å; D62-R71 PolarHBondContact OD2-NE 3.4Å; D62-R71 IonicContact OD2-NH2 2.72Å; D62-R71 PolarHBondContact OD2-NH2 2.84Å; D62-L72 HydrophobicContact CB-CB 3.74Å; D62-L72 PolarHBondContact OD1-N 3.34Å; D62-I191 HydrophobicContact CB-CD1 4.01Å
63N93.2Very high91.3Very high73 Ų7331.5 Ų31.539%0.3915%0.153SC..Hα-helixtrans-66.1-25.6175.1-70.5-33.5000113E59 K66 K67E59-N63 VanDerWaalsContact O-CB 3.23Å; E59-N63 WeakPolarHBondContact O-CB 3.45Å; E59-N63 PolarHBondContact O-N 3.46Å; E59-N63 PolarHBondContact O-ND2 3.29Å; N63-K66 PolarHBondContact OD1-NZ 3.07Å; N63-K66 VanDerWaalsContact OD1-NZ 3.15Å; N63-K67 WeakPolarHBondContact O-CE 3.49Å; N63-K67 WeakPolarHBondContact O-CG 3.3Å
64S91.8Very high91.4Very high14 Ų1431.4 Ų31.410%0.09815%0.152CC..Hα-helixtrans-84.7-31.7172.8-62.50000112.7D60 L61 D62 K67D60-S64 VanDerWaalsContact O-CB 3.26Å; D60-S64 WeakPolarHBondContact O-CB 3.26Å; D60-S64 PolarHBondContact O-N 3.44Å; D60-S64 PolarHBondContact O-OG 3.22Å; L61-S64 PolarHBondContact O-N 2.68Å; D62-S64 PolarHBondContact O-N 3.02Å; S64-K67 PolarHBondContact OG-NZ 3.08Å
65L90.1Very high91.4Very high1 Ų131.7 Ų31.71%0.00516%0.155CC..Hα-helixtrans-69.1-37.3169.4-72.5167.1000112.4L12 C30 L61 D62 K67 L68 N69 S70 L72 M174L12-L65 HydrophobicContact CD2-CD2 4.06Å; L12-L65 HydrophobicContact CD2-CG 4.48Å; C30-L65 HydrophobicContact CB-CD1 3.64Å; C30-L65 HydrophobicContact CB-CD2 4.42Å; L61-L65 HydrophobicContact CD1-CD1 4.45Å; L61-L65 HydrophobicContact CG-CD1 4.25Å; L61-L65 WeakPolarHBondContact O-CB 3.43Å; L61-L65 WeakPolarHBondContact O-CG 3.28Å; L61-L65 PolarHBondContact O-N 2.97Å; D62-L65 PolarHBondContact O-N 3.2Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.23Å; L65-L68 CarbonylContact O-C 3.59Å; L65-L68 VanDerWaalsContact O-C 3.31Å; L65-L68 VanDerWaalsContact O-CA 3.3Å; L65-L68 WeakPolarHBondContact O-CA 3.34Å; L65-L68 WeakPolarHBondContact O-CB 3.13Å; L65-L68 PolarHBondContact O-N 3.22Å; L65-N69 PolarHBondContact O-N 3.32Å; L65-S70 CarbonylContact C-O 3.55Å; L65-S70 CarbonylContact O-C 3.44Å; L65-S70 WeakPolarHBondContact O-CA 3.46Å; L65-S70 PolarHBondContact O-N 2.56Å; L65-S70 VanDerWaalsContact O-O 3.12Å; L65-L72 HydrophobicContact CD1-CB 4.05Å; L65-L72 HydrophobicContact CD1-CD1 4.38Å; L65-M174 HydrophobicContact CD2-CE 4.1Å
66K89.9Confident91.2Very high86 Ų8637.3 Ų37.337%0.37418%0.175SC..Hα-helixtrans-55.6-44.8173.2-81162.4171.5147.10112.1D62 N63 L68 N69 S70D62-K66 WeakPolarHBondContact O-CB 3.29Å; D62-K66 VanDerWaalsContact O-CG 3.28Å; D62-K66 WeakPolarHBondContact O-CG 3.4Å; D62-K66 PolarHBondContact O-N 2.85Å; D62-K66 WeakPolarHBondContact OD2-CE 3.31Å; D62-K66 IonicContact OD2-NZ 3.08Å; D62-K66 PolarHBondContact OD2-NZ 3.41Å; N63-K66 PolarHBondContact OD1-NZ 3.07Å; N63-K66 VanDerWaalsContact OD1-NZ 3.15Å; K66-L68 PolarHBondContact O-N 3.15Å; K66-N69 PolarHBondContact O-N 2.68Å; K66-S70 VanDerWaalsContact CA-O 3.29Å; K66-S70 WeakPolarHBondContact CA-O 3.4Å; K66-S70 PolarHBondContact N-O 2.92Å
67K89.4Confident90.9Very high130 Ų13036.2 Ų36.257%0.56517%0.174SC*.Hα-helixtrans-58.2-31.2174-63.2162.1-159.9155.40111.7N63 S64 L65 N69 Q171N63-K67 WeakPolarHBondContact O-CE 3.49Å; N63-K67 WeakPolarHBondContact O-CG 3.3Å; S64-K67 PolarHBondContact OG-NZ 3.08Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.23Å; K67-N69 VanDerWaalsContact C-N 3.35Å; K67-Q171 PolarHBondContact O-OE1 3.39Å; K67-Q171 VanDerWaalsContact O-OE1 3.06Å
68L86.4Confident90.5Very high22 Ų2239.4 Ų39.412%0.11519%0.189CC..THydrogen-bonded Turntrans-91.217.5178.8-61.5172000113.8L12 L65 K66 S70 Q171 M174L12-L68 HydrophobicContact CD1-CD1 3.72Å; L65-L68 CarbonylContact O-C 3.59Å; L65-L68 VanDerWaalsContact O-C 3.31Å; L65-L68 VanDerWaalsContact O-CA 3.3Å; L65-L68 WeakPolarHBondContact O-CA 3.34Å; L65-L68 WeakPolarHBondContact O-CB 3.13Å; L65-L68 PolarHBondContact O-N 3.22Å; K66-L68 PolarHBondContact O-N 3.15Å; L68-S70 PolarHBondContact O-N 3.19Å; L68-Q171 HydrophobicContact CD2-CB 4.48Å; L68-M174 HydrophobicContact CB-CB 4.24Å; L68-M174 HydrophobicContact CB-CE 4.31Å; L68-M174 HydrophobicContact CB-CG 4.02Å; L68-M174 HydrophobicContact CD1-CG 4.14Å; L68-M174 HydrophobicContact CD2-CG 4.42Å; L68-M174 HydrophobicContact CG-CG 4.43Å
69N85.4Confident90.2Very high92 Ų9240.4 Ų40.449%0.49220%0.195SC..THydrogen-bonded Turntrans57.629.1-175.1-58.8-43.5000114.4L65 K66 K67 Q171 N175 L178L65-N69 PolarHBondContact O-N 3.32Å; K66-N69 PolarHBondContact O-N 2.68Å; K67-N69 VanDerWaalsContact C-N 3.35Å; N69-Q171 PolarHBondContact ND2-NE2 2.91Å; N69-N175 PolarHBondContact ND2-OD1 2.87Å; N69-N175 VanDerWaalsContact ND2-OD1 3.08Å; N69-L178 HydrophobicContact CB-CD2 3.95Å; N69-L178 WeakPolarHBondContact O-CD2 3.47Å
70S87.4Confident89.9Confident12 Ų1238.7 Ų38.78%0.08419%0.191CC..  trans-127.2-179.8180-163.90000110.8L65 K66 L68L65-S70 CarbonylContact C-O 3.55Å; L65-S70 CarbonylContact O-C 3.44Å; L65-S70 WeakPolarHBondContact O-CA 3.46Å; L65-S70 PolarHBondContact O-N 2.56Å; L65-S70 VanDerWaalsContact O-O 3.12Å; K66-S70 VanDerWaalsContact CA-O 3.29Å; K66-S70 WeakPolarHBondContact CA-O 3.4Å; K66-S70 PolarHBondContact N-O 2.92Å; L68-S70 PolarHBondContact O-N 3.19Å
71R89.5Confident89.6Confident30 Ų3042.7 Ų42.711%0.11321%0.209CC..  trans-142155.5176.6-67.1-61.8-56.3-88.8-0110.6D62 F73 I181 H185 D186D62-R71 WeakPolarHBondContact OD1-CA 3.33Å; D62-R71 IonicContact OD1-CZ 3.24Å; D62-R71 IonicContact OD1-NE 2.81Å; D62-R71 PolarHBondContact OD1-NE 3.38Å; D62-R71 IonicContact OD1-NH2 2.88Å; D62-R71 IonicContact OD2-CZ 3.07Å; D62-R71 IonicContact OD2-NE 3.41Å; D62-R71 PolarHBondContact OD2-NE 3.4Å; D62-R71 IonicContact OD2-NH2 2.72Å; D62-R71 PolarHBondContact OD2-NH2 2.84Å; R71-F73 HydrophobicContact CB-CE2 4.42Å; R71-I181 HydrophobicContact CG-CD1 3.81Å; R71-I181 HydrophobicContact CG-CG1 4.22Å; R71-I181 HydrophobicContact CG-CG2 4.24Å; R71-H185 VanDerWaalsContact CB-CE1 3.49Å; R71-H185 WeakPolarHBondContact CB-CE1 3.48Å; R71-H185 WeakPolarHBondContact CB-NE2 3.25Å; R71-H185 VanDerWaalsContact CZ-CD2 3.49Å; R71-H185 PolarHBondContact NH1-CD2 3.23Å; R71-H185 VanDerWaalsContact NH1-CD2 3.34Å; R71-D186 IonicContact CZ-OD1 2.85Å; R71-D186 VanDerWaalsContact CZ-OD1 3.24Å; R71-D186 IonicContact NH1-OD1 2.65Å; R71-D186 PolarHBondContact NH1-OD1 3.07Å; R71-D186 IonicContact NH1-OD2 2.71Å; R71-D186 PolarHBondContact NH1-OD2 3.43Å; R71-D186 IonicContact NH2-OD1 3.41Å; R71-D186 PolarHBondContact NH2-OD1 2.83Å
72L92.5Very high89.5Confident3 Ų343 Ų432%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-82.9128.6165.7-175.364.7000109.8F6 C30 L58 L61 D62 L65 V74 H185F6-L72 HydrophobicContact CD2-CD1 4.12Å; C30-L72 HydrophobicContact CB-CD1 4.44Å; L58-L72 HydrophobicContact CB-CD2 3.84Å; L58-L72 HydrophobicContact CD2-CD2 4.03Å; L58-L72 HydrophobicContact CG-CD2 4.44Å; L58-L72 WeakPolarHBondContact O-CD2 3.29Å; L61-L72 HydrophobicContact CD2-CD1 4.06Å; L61-L72 HydrophobicContact CD2-CD2 4.35Å; L61-L72 HydrophobicContact CG-CD1 4.49Å; D62-L72 HydrophobicContact CB-CB 3.74Å; D62-L72 PolarHBondContact OD1-N 3.34Å; L65-L72 HydrophobicContact CD1-CB 4.05Å; L65-L72 HydrophobicContact CD1-CD1 4.38Å; L72-V74 HydrophobicContact CD2-CG2 3.91Å; L72-V74 HydrophobicContact CG-CG2 4.06Å; L72-H185 PolarHBondContact O-CE1 3.38Å; L72-H185 PolarHBondContact O-NE2 3.5Å
73F92Very high89.4Confident15 Ų1542.9 Ų42.97%0.06621%0.211CC..EExtended strand (participates in β ladder)trans-97.598.8174.7-68.3-107000109R29 C30 V31 Y32 R71 V75 W90 H185 Y189R29-F73 HydrophobicContact CB-CD2 4.37Å; R29-F73 HydrophobicContact CB-CE2 4.35Å; R29-F73 HydrophobicContact CG-CE2 4.21Å; R29-F73 HydrophobicContact CG-CZ 4.37Å; C30-F73 WeakPolarHBondContact O-CB 3.4Å; C30-F73 PolarHBondContact O-N 3.24Å; V31-F73 WeakPolarHBondContact CA-O 3.3Å; V31-F73 HydrophobicContact CG2-CB 4.2Å; Y32-F73 PolarHBondContact N-O 2.78Å; R71-F73 HydrophobicContact CB-CE2 4.42Å; F73-V75 PolarHBondContact O-N 2.87Å; F73-W90 HydrophobicContact CB-CH2 4.28Å; F73-W90 AromaticContact CD1-CH2 3.92Å; F73-W90 HydrophobicContact CD1-CH2 3.92Å; F73-W90 HydrophobicContact CD1-CZ2 4.01Å; F73-W90 HydrophobicContact CE1-CZ2 4.41Å; F73-W90 HydrophobicContact CG-CH2 4.22Å; F73-H185 AromaticContact CD1-CE1 3.88Å; F73-H185 AromaticContact CD1-ND1 3.85Å; F73-H185 AromaticContact CE1-CE1 3.91Å; F73-H185 AromaticContact CE1-ND1 3.53Å; F73-H185 AromaticContact CG-CE1 3.97Å; F73-H185 AromaticContact CZ-ND1 3.8Å; F73-Y189 HydrophobicContact CB-CD1 4.43Å; F73-Y189 HydrophobicContact CB-CG 4.36Å; F73-Y189 HydrophobicContact CD1-CD1 4.13Å; F73-Y189 AromaticContact CD1-CD2 3.56Å; F73-Y189 HydrophobicContact CD1-CD2 3.56Å; F73-Y189 HydrophobicContact CD1-CE1 4.36Å; F73-Y189 AromaticContact CD1-CE2 3.82Å; F73-Y189 HydrophobicContact CD1-CE2 3.82Å; F73-Y189 AromaticContact CD1-CG 3.72Å; F73-Y189 HydrophobicContact CD1-CG 3.72Å; F73-Y189 AromaticContact CE1-CD2 3.94Å; F73-Y189 HydrophobicContact CE1-CD2 3.94Å; F73-Y189 AromaticContact CE1-CE2 4Å; F73-Y189 HydrophobicContact CE1-CE2 4Å; F73-Y189 HydrophobicContact CG-CG 4.44Å
74V92.2Very high89.3Confident0 Ų040.7 Ų40.70%020%0.2CC..EExtended strand (participates in β ladder)trans-85.6108.3175-175.90000109.4Y32 L34 L72 Y189 I191Y32-V74 WeakPolarHBondContact O-CA 3.46Å; L34-V74 HydrophobicContact CB-CG1 3.98Å; L34-V74 HydrophobicContact CD1-CG1 4.31Å; L72-V74 HydrophobicContact CD2-CG2 3.91Å; L72-V74 HydrophobicContact CG-CG2 4.06Å; V74-Y189 WeakPolarHBondContact CB-O 3.4Å; V74-Y189 PolarHBondContact N-O 3.01Å; V74-Y189 WeakPolarHBondContact O-CA 3.46Å; V74-I191 HydrophobicContact CG2-CB 4.43Å; V74-I191 HydrophobicContact CG2-CG1 3.62Å
75V90.9Very high89.3Confident19 Ų1947.9 Ų47.912%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-103128.2-179.2-171.90000109.6V31 Y32 V33 L34 F73 V82 L86 Y189V31-V75 HydrophobicContact CG1-CG2 4.1Å; Y32-V75 PolarHBondContact O-N 3.21Å; V33-V75 CarbonylContact C-O 3.53Å; V33-V75 WeakPolarHBondContact CA-O 3.26Å; L34-V75 PolarHBondContact N-O 3.31Å; F73-V75 PolarHBondContact O-N 2.87Å; V75-V82 HydrophobicContact CB-CG1 4.16Å; V75-V82 HydrophobicContact CG1-CB 4.46Å; V75-V82 HydrophobicContact CG1-CG1 3.61Å; V75-V82 HydrophobicContact CG1-CG2 3.96Å; V75-L86 HydrophobicContact CG2-CD1 4.3Å; V75-Y189 HydrophobicContact CG2-CD1 3.99Å; V75-Y189 HydrophobicContact CG2-CE1 4.19Å
76R87.6Confident89.3Confident122 Ų12248.1 Ų48.146%0.4623%0.227SC..EExtended strand (participates in β ladder)trans-90.5126-176-57.9175.1-170.8-163.5-2.7110L34 S190 E196L34-R76 WeakPolarHBondContact O-CA 3.32Å; R76-S190 PolarHBondContact NH2-O 3.4Å; R76-E196 IonicContact CZ-OE2 3.38Å; R76-E196 IonicContact NH1-OE2 3.78Å; R76-E196 PolarHBondContact NH1-OE2 2.83Å; R76-E196 VanDerWaalsContact NH1-OE2 3.08Å; R76-E196 IonicContact NH2-OE2 3.69Å; R76-E196 PolarHBondContact NH2-OE2 3.42Å
77G86Confident89.4Confident13 Ų1344.5 Ų44.513%0.13421%0.211CC..SBendtrans134.9-175.7178.400000114.4V33 L34V33-G77 WeakPolarHBondContact CG1-O 3.26Å; L34-G77 PolarHBondContact O-N 3.48Å
78Q86.5Confident89.5Confident68 Ų6845.1 Ų45.132%0.31821%0.213SC..  trans-80.4140178.3-68.2-168.5-200111.9T80 E81 V82Q78-T80 PolarHBondContact O-N 2.87Å; Q78-T80 VanDerWaalsContact O-N 3.15Å; Q78-E81 HydrophobicContact CB-CG 4.45Å; Q78-E81 PolarHBondContact O-N 3.41Å; Q78-V82 WeakPolarHBondContact O-CB 3.15Å; Q78-V82 VanDerWaalsContact O-CG2 3.31Å; Q78-V82 WeakPolarHBondContact O-CG2 3.32Å; Q78-V82 PolarHBondContact O-N 3.41Å
79P88.1Confident89.6Confident21 Ų2149.8 Ų49.814%0.13624%0.235CC..Hα-helixtrans-52.6-38.7179.4-29.135.5000114.4W5 V33 E81 V82 F83 I112W5-P79 HydrophobicContact CH2-CB 4.06Å; W5-P79 HydrophobicContact CH2-CG 4.32Å; W5-P79 HydrophobicContact CZ2-CB 3.97Å; W5-P79 HydrophobicContact CZ2-CG 3.87Å; V33-P79 HydrophobicContact CB-CG 4.41Å; V33-P79 HydrophobicContact CG1-CG 3.94Å; P79-E81 VanDerWaalsContact C-N 3.32Å; P79-E81 PolarHBondContact O-N 3.44Å; P79-V82 PolarHBondContact O-N 3.29Å; P79-F83 HydrophobicContact CB-CD2 4.08Å; P79-F83 HydrophobicContact CB-CE2 4.07Å; P79-F83 WeakPolarHBondContact O-CB 3.47Å; P79-F83 VanDerWaalsContact O-CD2 3.23Å; P79-F83 WeakPolarHBondContact O-CD2 3.39Å; P79-F83 PolarHBondContact O-N 3.38Å; P79-I112 HydrophobicContact CB-CD1 4.16Å; P79-I112 HydrophobicContact CB-CG1 4.45Å
80T87.6Confident89.7Confident59 Ų5946.2 Ų46.236%0.36221%0.214SC..Hα-helixtrans-63.9-30.517939.40000113.8Q78 P84 I112 M115Q78-T80 PolarHBondContact O-N 2.87Å; Q78-T80 VanDerWaalsContact O-N 3.15Å; T80-P84 VanDerWaalsContact O-CD 3.25Å; T80-P84 WeakPolarHBondContact O-CD 3.45Å; T80-P84 WeakPolarHBondContact O-CG 3.48Å; T80-I112 HydrophobicContact CG2-CD1 4.05Å; T80-M115 WeakPolarHBondContact O-CE 3.26Å
81E88.1Confident89.9Confident110 Ų11049.5 Ų49.551%0.51424%0.237SC..Hα-helixtrans-90.6-32.9175.7-58.9-168.6149.600112.5Q78 P79 R85Q78-E81 HydrophobicContact CB-CG 4.45Å; Q78-E81 PolarHBondContact O-N 3.41Å; P79-E81 VanDerWaalsContact C-N 3.32Å; P79-E81 PolarHBondContact O-N 3.44Å; E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-NE 3.33Å
82V90.7Very high90Very high10 Ų1048.6 Ų48.66%0.06124%0.235CC..Hα-helixtrans-73.1-50.6-176165.80000111.3V33 V75 Q78 P79 R85 L86V33-V82 HydrophobicContact CG1-CG2 4.34Å; V33-V82 HydrophobicContact CG2-CG1 4.2Å; V75-V82 HydrophobicContact CB-CG1 4.16Å; V75-V82 HydrophobicContact CG1-CB 4.46Å; V75-V82 HydrophobicContact CG1-CG1 3.61Å; V75-V82 HydrophobicContact CG1-CG2 3.96Å; Q78-V82 WeakPolarHBondContact O-CB 3.15Å; Q78-V82 VanDerWaalsContact O-CG2 3.31Å; Q78-V82 WeakPolarHBondContact O-CG2 3.32Å; Q78-V82 PolarHBondContact O-N 3.41Å; P79-V82 PolarHBondContact O-N 3.29Å; V82-R85 WeakPolarHBondContact O-CB 3.41Å; V82-R85 PolarHBondContact O-N 3.44Å; V82-L86 HydrophobicContact CG1-CD1 3.55Å; V82-L86 HydrophobicContact CG1-CG 3.89Å; V82-L86 WeakPolarHBondContact O-CG 3.41Å; V82-L86 PolarHBondContact O-N 3.33Å; V82-L86 VanDerWaalsContact O-N 3.07Å
83F91.9Very high90.1Very high1 Ų152.3 Ų52.30%0.00426%0.258CS..Hα-helixtrans-60.7-42.6-173.2-81.2-60.7000114.7V3 W5 V33 P79 R85 L86 F87 L95 I112V3-F83 HydrophobicContact CG1-CE1 4.49Å; W5-F83 HydrophobicContact CB-CZ 4.04Å; W5-F83 AromaticContact CD2-CE2 3.62Å; W5-F83 HydrophobicContact CD2-CE2 3.62Å; W5-F83 AromaticContact CD2-CZ 3.46Å; W5-F83 HydrophobicContact CD2-CZ 3.46Å; W5-F83 VanDerWaalsContact CD2-CZ 3.46Å; W5-F83 AromaticContact CE2-CE2 3.78Å; W5-F83 AromaticContact CE2-CZ 3.94Å; W5-F83 AromaticContact CE3-CE2 3.63Å; W5-F83 HydrophobicContact CE3-CE2 3.63Å; W5-F83 AromaticContact CE3-CZ 3.73Å; W5-F83 HydrophobicContact CE3-CZ 3.73Å; W5-F83 HydrophobicContact CG-CE2 4.25Å; W5-F83 AromaticContact CG-CZ 3.61Å; W5-F83 HydrophobicContact CG-CZ 3.61Å; W5-F83 HydrophobicContact CH2-CE2 4.02Å; W5-F83 HydrophobicContact CZ2-CE2 4.01Å; W5-F83 AromaticContact CZ3-CE2 3.82Å; W5-F83 HydrophobicContact CZ3-CE2 3.82Å; W5-F83 HydrophobicContact CZ3-CZ 4.39Å; V33-F83 HydrophobicContact CG2-CE2 4.27Å; V33-F83 HydrophobicContact CG2-CZ 4.19Å; P79-F83 HydrophobicContact CB-CD2 4.08Å; P79-F83 HydrophobicContact CB-CE2 4.07Å; P79-F83 WeakPolarHBondContact O-CB 3.47Å; P79-F83 VanDerWaalsContact O-CD2 3.23Å; P79-F83 WeakPolarHBondContact O-CD2 3.39Å; P79-F83 PolarHBondContact O-N 3.38Å; F83-R85 PolarHBondContact O-N 3.07Å; F83-R85 VanDerWaalsContact O-N 3.16Å; F83-L86 HydrophobicContact CD1-CD1 4.5Å; F83-L86 PolarHBondContact O-N 3.32Å; F83-F87 HydrophobicContact CB-CD2 4.46Å; F83-F87 HydrophobicContact CB-CE1 4.2Å; F83-F87 HydrophobicContact CB-CE2 3.9Å; F83-F87 HydrophobicContact CB-CZ 3.76Å; F83-F87 HydrophobicContact CD1-CD1 4.45Å; F83-F87 AromaticContact CD1-CE1 3.72Å; F83-F87 HydrophobicContact CD1-CE1 3.72Å; F83-F87 AromaticContact CD1-CZ 3.95Å; F83-F87 HydrophobicContact CD1-CZ 3.95Å; F83-F87 HydrophobicContact CG-CE1 4.3Å; F83-F87 HydrophobicContact CG-CZ 4.08Å; F83-F87 WeakPolarHBondContact O-CB 3.24Å; F83-F87 VanDerWaalsContact O-CD2 3.32Å; F83-F87 WeakPolarHBondContact O-CD2 3.49Å; F83-F87 WeakPolarHBondContact O-CG 3.22Å; F83-F87 PolarHBondContact O-N 2.87Å; F83-L95 HydrophobicContact CD1-CD2 4.45Å; F83-L95 HydrophobicContact CE1-CD1 3.87Å; F83-L95 HydrophobicContact CE1-CD2 4.34Å; F83-L95 HydrophobicContact CZ-CD1 4.28Å; F83-I112 HydrophobicContact CD2-CD1 3.98Å; F83-I112 HydrophobicContact CD2-CG1 4.38Å; F83-I112 HydrophobicContact CD2-CG2 3.97Å; F83-I112 HydrophobicContact CE2-CG2 4.36Å; F83-I112 HydrophobicContact CG-CG2 4.48Å
84P91.6Very high90.2Very high27 Ų2753.9 Ų53.918%0.17526%0.264CS..Hα-helixtrans-58.4-27.3174.3-28.237.3000114.8T80 K88 M115 F119T80-P84 VanDerWaalsContact O-CD 3.25Å; T80-P84 WeakPolarHBondContact O-CD 3.45Å; T80-P84 WeakPolarHBondContact O-CG 3.48Å; P84-K88 WeakPolarHBondContact O-CG 3.42Å; P84-M115 VanDerWaalsContact CD-SD 3.58Å; P84-M115 HydrophobicContact CG-CE 4.04Å; P84-M115 HydrophobicContact CG-CG 4.11Å; P84-M115 HydrophobicContact CG-SD 3.41Å; P84-M115 WeakPolarHBondContact CG-SD 3.25Å; P84-F119 HydrophobicContact CB-CE2 3.8Å; P84-F119 HydrophobicContact CB-CZ 4.11Å; P84-F119 HydrophobicContact CG-CE2 4.17Å
85R91.3Very high90.4Very high164 Ų16453.9 Ų53.962%0.61926%0.264SS*.Hα-helixtrans-78.3-52175.7-58.7178-166.4-172.16.2109.8E81 V82 F83 F87 K88 E89E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-NE 3.33Å; V82-R85 WeakPolarHBondContact O-CB 3.41Å; V82-R85 PolarHBondContact O-N 3.44Å; F83-R85 PolarHBondContact O-N 3.07Å; F83-R85 VanDerWaalsContact O-N 3.16Å; R85-F87 PolarHBondContact O-N 3.15Å; R85-K88 PolarHBondContact O-N 3.14Å; R85-E89 WeakPolarHBondContact O-CB 3.18Å; R85-E89 PolarHBondContact O-N 3.35Å
86L90.8Very high90.7Very high7 Ų753 Ų534%0.03726%0.258CS..Hα-helixtrans-60.6-39.8-179.8-61.3-175000113.1V31 V75 V82 F83 K88 W90V31-L86 HydrophobicContact CG1-CD1 4.33Å; V75-L86 HydrophobicContact CG2-CD1 4.3Å; V82-L86 HydrophobicContact CG1-CD1 3.55Å; V82-L86 HydrophobicContact CG1-CG 3.89Å; V82-L86 WeakPolarHBondContact O-CG 3.41Å; V82-L86 PolarHBondContact O-N 3.33Å; V82-L86 VanDerWaalsContact O-N 3.07Å; F83-L86 HydrophobicContact CD1-CD1 4.5Å; F83-L86 PolarHBondContact O-N 3.32Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 2.9Å; L86-W90 HydrophobicContact CB-CE3 4.2Å; L86-W90 HydrophobicContact CB-CZ3 4.39Å; L86-W90 HydrophobicContact CD1-CH2 4.23Å; L86-W90 HydrophobicContact CD1-CZ3 4.01Å; L86-W90 HydrophobicContact CD2-CD2 4.32Å; L86-W90 HydrophobicContact CD2-CE3 4.26Å; L86-W90 HydrophobicContact CD2-CH2 3.72Å; L86-W90 HydrophobicContact CD2-CZ2 3.72Å; L86-W90 HydrophobicContact CD2-CZ3 3.99Å; L86-W90 HydrophobicContact CG-CZ3 4.35Å; L86-W90 WeakPolarHBondContact O-CB 3.42Å; L86-W90 PolarHBondContact O-N 3.28Å
87F92.3Very high91.1Very high9 Ų947.2 Ų47.24%0.03924%0.236CC..Hα-helixtrans-59.2-41.7178-64.9-24000111.9F83 R85 S91 V92 L95 A116 F119 V121F83-F87 HydrophobicContact CB-CD2 4.46Å; F83-F87 HydrophobicContact CB-CE1 4.2Å; F83-F87 HydrophobicContact CB-CE2 3.9Å; F83-F87 HydrophobicContact CB-CZ 3.76Å; F83-F87 HydrophobicContact CD1-CD1 4.45Å; F83-F87 AromaticContact CD1-CE1 3.72Å; F83-F87 HydrophobicContact CD1-CE1 3.72Å; F83-F87 AromaticContact CD1-CZ 3.95Å; F83-F87 HydrophobicContact CD1-CZ 3.95Å; F83-F87 HydrophobicContact CG-CE1 4.3Å; F83-F87 HydrophobicContact CG-CZ 4.08Å; F83-F87 WeakPolarHBondContact O-CB 3.24Å; F83-F87 VanDerWaalsContact O-CD2 3.32Å; F83-F87 WeakPolarHBondContact O-CD2 3.49Å; F83-F87 WeakPolarHBondContact O-CG 3.22Å; F83-F87 PolarHBondContact O-N 2.87Å; R85-F87 PolarHBondContact O-N 3.15Å; F87-S91 WeakPolarHBondContact O-CA 3.36Å; F87-S91 PolarHBondContact O-N 3.48Å; F87-V92 HydrophobicContact CD1-CB 3.99Å; F87-V92 HydrophobicContact CD1-CG1 4.23Å; F87-V92 HydrophobicContact CD1-CG2 4.24Å; F87-V92 PolarHBondContact O-N 2.83Å; F87-L95 HydrophobicContact CE1-CB 4.41Å; F87-L95 HydrophobicContact CE1-CD2 4.15Å; F87-L95 HydrophobicContact CZ-CD2 3.95Å; F87-A116 HydrophobicContact CE2-CB 4.09Å; F87-A116 HydrophobicContact CZ-CB 3.98Å; F87-F119 HydrophobicContact CD2-CB 3.98Å; F87-F119 AromaticContact CD2-CD2 3.74Å; F87-F119 HydrophobicContact CD2-CD2 3.74Å; F87-F119 HydrophobicContact CD2-CG 4.06Å; F87-F119 HydrophobicContact CE2-CD2 4.36Å; F87-V121 HydrophobicContact CB-CG2 4.36Å; F87-V121 HydrophobicContact CD1-CG2 4.09Å; F87-V121 HydrophobicContact CD2-CG2 4.15Å; F87-V121 HydrophobicContact CE1-CG1 4.27Å; F87-V121 HydrophobicContact CE1-CG2 4.4Å; F87-V121 HydrophobicContact CE2-CG2 4.46Å; F87-V121 HydrophobicContact CG-CG2 3.96Å
88K90.1Very high91.5Very high143 Ų14347.1 Ų47.162%0.62223%0.233SC*.Hα-helixtrans-73.7-52.8177.3-66.2178.1-176.5-177.20111.8P84 R85 L86 W90 S91P84-K88 WeakPolarHBondContact O-CG 3.42Å; R85-K88 PolarHBondContact O-N 3.14Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 2.9Å; K88-W90 VanDerWaalsContact C-N 3.32Å; K88-W90 PolarHBondContact O-N 3.1Å; K88-S91 PolarHBondContact O-N 2.94Å
89E89.1Confident91.9Very high121 Ų12146.2 Ų46.257%0.56523%0.227SC*.Hα-helixtrans-60.9-39.1-173.8-168.8-166.1126.400112.5R85 Y189R85-E89 WeakPolarHBondContact O-CB 3.18Å; R85-E89 PolarHBondContact O-N 3.35Å; E89-Y189 PolarHBondContact OE1-OH 3.28Å
90W88.6Confident92.1Very high16 Ų1645.7 Ų45.76%0.06122%0.223CC..THydrogen-bonded Turntrans-1045.4-176.2-58.1-14.8000113.7N1 V3 R29 V31 F73 L86 K88 V92 Y189N1-W90 PolarHBondContact ND2-O 3.17Å; V3-W90 HydrophobicContact CG2-CE3 4.05Å; V3-W90 HydrophobicContact CG2-CZ3 4.31Å; R29-W90 HydrophobicContact CB-CE3 4.5Å; R29-W90 HydrophobicContact CB-CZ3 4.21Å; V31-W90 HydrophobicContact CG2-CH2 4.05Å; V31-W90 HydrophobicContact CG2-CZ3 3.67Å; F73-W90 HydrophobicContact CB-CH2 4.28Å; F73-W90 AromaticContact CD1-CH2 3.92Å; F73-W90 HydrophobicContact CD1-CH2 3.92Å; F73-W90 HydrophobicContact CD1-CZ2 4.01Å; F73-W90 HydrophobicContact CE1-CZ2 4.41Å; F73-W90 HydrophobicContact CG-CH2 4.22Å; L86-W90 HydrophobicContact CB-CE3 4.2Å; L86-W90 HydrophobicContact CB-CZ3 4.39Å; L86-W90 HydrophobicContact CD1-CH2 4.23Å; L86-W90 HydrophobicContact CD1-CZ3 4.01Å; L86-W90 HydrophobicContact CD2-CD2 4.32Å; L86-W90 HydrophobicContact CD2-CE3 4.26Å; L86-W90 HydrophobicContact CD2-CH2 3.72Å; L86-W90 HydrophobicContact CD2-CZ2 3.72Å; L86-W90 HydrophobicContact CD2-CZ3 3.99Å; L86-W90 HydrophobicContact CG-CZ3 4.35Å; L86-W90 WeakPolarHBondContact O-CB 3.42Å; L86-W90 PolarHBondContact O-N 3.28Å; K88-W90 VanDerWaalsContact C-N 3.32Å; K88-W90 PolarHBondContact O-N 3.1Å; W90-V92 VanDerWaalsContact C-N 3.33Å; W90-V92 HydrophobicContact CB-CG2 3.92Å; W90-V92 PolarHBondContact O-N 3.18Å; W90-Y189 HydrophobicContact CZ2-CE1 4.11Å; W90-Y189 AromaticContact CZ2-CZ 3.93Å
91S90.8Very high92.2Very high81 Ų8142.9 Ų42.957%0.56621%0.205SC*.THydrogen-bonded Turntrans43.757.7-173.6-53.70000111.5N1 F87 K88N1-S91 WeakPolarHBondContact CB-O 3.36Å; N1-S91 PolarHBondContact ND2-O 3.44Å; F87-S91 WeakPolarHBondContact O-CA 3.36Å; F87-S91 PolarHBondContact O-N 3.48Å; K88-S91 PolarHBondContact O-N 2.94Å
92V92.4Very high92.3Very high11 Ų1138.4 Ų38.47%0.06719%0.185CC..  trans-71.6131.9-174-176.50000109.5V3 F87 W90 R94 V121V3-V92 HydrophobicContact CB-CG1 4.24Å; V3-V92 HydrophobicContact CG2-CB 4.44Å; V3-V92 HydrophobicContact CG2-CG1 3.82Å; V3-V92 HydrophobicContact CG2-CG2 3.66Å; F87-V92 HydrophobicContact CD1-CB 3.99Å; F87-V92 HydrophobicContact CD1-CG1 4.23Å; F87-V92 HydrophobicContact CD1-CG2 4.24Å; F87-V92 PolarHBondContact O-N 2.83Å; W90-V92 VanDerWaalsContact C-N 3.33Å; W90-V92 HydrophobicContact CB-CG2 3.92Å; W90-V92 PolarHBondContact O-N 3.18Å; V92-R94 VanDerWaalsContact CG1-O 3.24Å; V92-R94 WeakPolarHBondContact CG1-O 3.47Å; V92-V121 HydrophobicContact CG1-CG1 4.04Å
93T93.3Very high92.3Very high82 Ų8238.9 Ų38.950%0.50319%0.188SC..  trans-107.8-21.6177.259.20000112.4N1 E122N1-T93 PolarHBondContact N-OG1 2.88Å; N1-T93 PolarHBondContact O-N 2.88Å; N1-T93 PolarHBondContact O-OG1 3.3Å; T93-E122 PolarHBondContact O-N 3.29Å
94R94.9Very high92Very high47 Ų4745.6 Ų45.618%0.17721%0.214CC..EExtended strand (participates in β ladder)trans-140.7136.4176.9-177.1-177.9-66.1149.68.3112.1N1 S2 V3 E20 N23 V92 T96 E122 V124N1-R94 PolarHBondContact O-N 2.86Å; S2-R94 CarbonylContact C-O 3.34Å; S2-R94 VanDerWaalsContact CA-O 3.3Å; S2-R94 WeakPolarHBondContact CA-O 3.23Å; V3-R94 PolarHBondContact N-O 3.38Å; E20-R94 PolarHBondContact O-NH1 3.19Å; N23-R94 PolarHBondContact O-NH1 2.74Å; V92-R94 VanDerWaalsContact CG1-O 3.24Å; V92-R94 WeakPolarHBondContact CG1-O 3.47Å; R94-T96 HydrophobicContact CG-CG2 3.86Å; R94-E122 CarbonylContact C-O 3.59Å; R94-E122 VanDerWaalsContact CA-O 3.26Å; R94-E122 WeakPolarHBondContact CA-O 3.26Å; R94-E122 HydrophobicContact CB-CB 4.32Å; R94-E122 HydrophobicContact CG-CB 4.32Å; R94-E122 WeakPolarHBondContact CG-O 3.22Å; R94-E122 IonicContact CZ-OE2 3.45Å; R94-E122 IonicContact NE-OE1 2.87Å; R94-E122 IonicContact NE-OE2 3.71Å; R94-E122 PolarHBondContact NE-OE2 2.79Å; R94-E122 IonicContact NH2-OE1 2.75Å; R94-E122 IonicContact NH2-OE2 3.55Å; R94-E122 PolarHBondContact NH2-OE2 3.2Å; R94-V124 HydrophobicContact CG-CG2 4.15Å
95L95.8Very high91.8Very high0 Ų044.4 Ų44.40%021%0.207CC..EExtended strand (participates in β ladder)trans-115.1132.6168.4174.362.7000109V3 W5 F83 F87 F97 I112 V121 E122 T123 V124V3-L95 HydrophobicContact CB-CD1 4.12Å; V3-L95 HydrophobicContact CG1-CD1 3.86Å; V3-L95 CarbonylContact O-C 3.58Å; V3-L95 WeakPolarHBondContact O-CA 3.36Å; W5-L95 HydrophobicContact CB-CD1 4.05Å; F83-L95 HydrophobicContact CD1-CD2 4.45Å; F83-L95 HydrophobicContact CE1-CD1 3.87Å; F83-L95 HydrophobicContact CE1-CD2 4.34Å; F83-L95 HydrophobicContact CZ-CD1 4.28Å; F87-L95 HydrophobicContact CE1-CB 4.41Å; F87-L95 HydrophobicContact CE1-CD2 4.15Å; F87-L95 HydrophobicContact CZ-CD2 3.95Å; L95-F97 HydrophobicContact CD2-CD1 4.33Å; L95-F97 HydrophobicContact CD2-CE1 4.13Å; L95-F97 HydrophobicContact CG-CD1 4.1Å; L95-F97 HydrophobicContact CG-CE1 4.28Å; L95-I112 HydrophobicContact CD2-CG2 3.83Å; L95-V121 HydrophobicContact CB-CG1 4.01Å; L95-E122 PolarHBondContact N-O 2.93Å; L95-T123 CarbonylContact O-C 3.52Å; L95-T123 WeakPolarHBondContact O-CA 3.35Å; L95-V124 PolarHBondContact O-N 2.88Å
96T96.4Very high91.7Very high0 Ų039.3 Ų39.30%019%0.189CC..EExtended strand (participates in β ladder)trans-129.5146.5175.588.10000112.5V3 H4 W5 A17 A21 R94 V124V3-T96 PolarHBondContact O-N 3.42Å; H4-T96 WeakPolarHBondContact CA-O 3.43Å; H4-T96 PolarHBondContact ND1-O 2.91Å; H4-T96 PolarHBondContact ND1-OG1 3.21Å; W5-T96 PolarHBondContact N-O 2.8Å; A17-T96 VanDerWaalsContact C-OG1 3.32Å; A17-T96 WeakPolarHBondContact O-CB 3.22Å; A17-T96 PolarHBondContact O-OG1 2.79Å; A21-T96 HydrophobicContact CB-CG2 3.73Å; R94-T96 HydrophobicContact CG-CG2 3.86Å; T96-V124 VanDerWaalsContact CA-O 3.25Å; T96-V124 WeakPolarHBondContact CA-O 3.42Å; T96-V124 WeakPolarHBondContact CB-O 3.34Å; T96-V124 HydrophobicContact CG2-CB 3.95Å; T96-V124 HydrophobicContact CG2-CG2 4.46Å
97F96Very high91.7Very high1 Ų146 Ų460%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-157159.5176.249.9-95.6000113.5W5 R7 A17 L95 D109 I113 V124 V125 R126W5-F97 HydrophobicContact CB-CB 4.32Å; W5-F97 HydrophobicContact CE3-CB 4.45Å; W5-F97 AromaticContact CE3-CD1 3.92Å; W5-F97 HydrophobicContact CE3-CD1 3.92Å; W5-F97 HydrophobicContact CE3-CE1 4.36Å; W5-F97 HydrophobicContact CE3-CG 4.25Å; R7-F97 VanDerWaalsContact NH2-CD2 3.33Å; A17-F97 VanDerWaalsContact CB-C 3.43Å; A17-F97 WeakPolarHBondContact CB-O 3.47Å; L95-F97 HydrophobicContact CD2-CD1 4.33Å; L95-F97 HydrophobicContact CD2-CE1 4.13Å; L95-F97 HydrophobicContact CG-CD1 4.1Å; L95-F97 HydrophobicContact CG-CE1 4.28Å; F97-D109 HydrophobicContact CE2-CB 3.96Å; F97-D109 WeakPolarHBondContact CE2-OD2 3.4Å; F97-D109 HydrophobicContact CZ-CB 4.17Å; F97-I113 HydrophobicContact CZ-CD1 4.09Å; F97-I113 HydrophobicContact CZ-CG1 3.99Å; F97-V124 PolarHBondContact N-O 3.29Å; F97-V125 HydrophobicContact CD2-CG1 3.97Å; F97-V125 HydrophobicContact CD2-CG2 4.07Å; F97-V125 HydrophobicContact CE1-CG2 4.19Å; F97-V125 HydrophobicContact CE2-CB 4.25Å; F97-V125 HydrophobicContact CE2-CG1 3.81Å; F97-V125 HydrophobicContact CE2-CG2 3.45Å; F97-V125 VanDerWaalsContact CE2-CG2 3.45Å; F97-V125 HydrophobicContact CZ-CG2 3.53Å; F97-R126 PolarHBondContact O-N 3.03Å
98E95.3Very high91.6Very high11 Ų1147.8 Ų47.85%0.05123%0.226CC..EExtended strand (participates in β ladder)trans-73.5128.1171.9-178.8167.8-108.700110.4R7 G9 R11 D100 R126 S128 H129R7-E98 PolarHBondContact NH2-O 3.46Å; G9-E98 WeakPolarHBondContact CA-OE2 3.13Å; G9-E98 PolarHBondContact N-OE2 3.39Å; R11-E98 IonicContact CZ-OE1 3.37Å; R11-E98 IonicContact NH1-OE1 2.69Å; R11-E98 PolarHBondContact NH1-OE1 3.23Å; R11-E98 IonicContact NH1-OE2 3.49Å; R11-E98 IonicContact NH2-OE1 3.68Å; R11-E98 PolarHBondContact NH2-OE1 3.01Å; E98-D100 PolarHBondContact O-N 3.02Å; E98-R126 CarbonylContact C-O 3.54Å; E98-R126 WeakPolarHBondContact CA-O 3.29Å; E98-S128 WeakPolarHBondContact OE1-CA 3.49Å; E98-S128 WeakPolarHBondContact OE1-CB 3.26Å; E98-S128 PolarHBondContact OE1-OG 3.45Å; E98-H129 HydrophobicContact CG-CB 4.08Å; E98-H129 PolarHBondContact OE1-N 3.3Å; E98-H129 VanDerWaalsContact OE1-N 3.14Å; E98-H129 IonicContact OE2-ND1 2.7Å
99Y94.1Very high91.7Very high50 Ų5041.3 Ų41.320%0.19620%0.199CC..  trans-57129.4179.1177.2-96.4000111.8P101 K106 V125 R126 N127Y99-P101 HydrophobicContact CD1-CB 4.42Å; Y99-P101 HydrophobicContact CE1-CB 3.86Å; Y99-K106 WeakPolarHBondContact OH-CE 3.37Å; Y99-V125 HydrophobicContact CD2-CG1 4.12Å; Y99-V125 HydrophobicContact CG-CG1 4.5Å; Y99-R126 PolarHBondContact N-O 3.03Å; Y99-N127 HydrophobicContact CD1-CB 4.32Å; Y99-N127 HydrophobicContact CG-CB 4.39Å
100D92.9Very high91.9Very high9 Ų937.4 Ų37.45%0.04819%0.191CC..  trans-104111.6176.7-158.7-9.2000109.8K8 E98 E102 R108K8-D100 VanDerWaalsContact CE-OD1 3.31Å; K8-D100 WeakPolarHBondContact CE-OD1 3.42Å; K8-D100 IonicContact NZ-OD1 2.74Å; K8-D100 PolarHBondContact NZ-OD1 3.03Å; K8-D100 IonicContact NZ-OD2 3.21Å; E98-D100 PolarHBondContact O-N 3.02Å; D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 2.82Å; D100-R108 IonicContact OD2-CZ 3.68Å; D100-R108 IonicContact OD2-NH1 2.85Å; D100-R108 IonicContact OD2-NH2 3.24Å; D100-R108 PolarHBondContact OD2-NH2 3.37Å; D100-R108 VanDerWaalsContact OD2-NH2 3.07Å
101P89.2Confident92.1Very high0 Ų039 Ų390%021%0.207CC..  trans-75.5-10-176.230.4-36.8000114.4Y99 K106 T130 L134 Y293 T297Y99-P101 HydrophobicContact CD1-CB 4.42Å; Y99-P101 HydrophobicContact CE1-CB 3.86Å; P101-K106 WeakPolarHBondContact O-CE 3.44Å; P101-T130 HydrophobicContact CG-CG2 4.4Å; P101-L134 HydrophobicContact CB-CD1 3.42Å; P101-L134 VanDerWaalsContact CB-CD1 3.42Å; P101-L134 HydrophobicContact CG-CD1 4.14Å; P101-Y293 HydrophobicContact CB-CD1 4.34Å; P101-Y293 HydrophobicContact CG-CD1 3.53Å; P101-Y293 HydrophobicContact CG-CE1 3.69Å; P101-Y293 HydrophobicContact CG-CG 4.28Å; P101-T297 WeakPolarHBondContact O-CA 3.41Å; P101-T297 PolarHBondContact O-OG1 3.43Å
102E90.8Very high92.2Very high17 Ų1735.1 Ų35.18%0.07918%0.18CC..SBendtrans-78.6140.6-174.1-52.4-162.5118.500110.5K8 D100 Y104 G105 K106 Y293 W386 S387K8-E102 VanDerWaalsContact NZ-CD 3.33Å; K8-E102 IonicContact NZ-OE2 2.79Å; K8-E102 PolarHBondContact NZ-OE2 3.35Å; D100-E102 VanDerWaalsContact C-N 3.27Å; D100-E102 PolarHBondContact O-N 2.82Å; E102-Y104 PolarHBondContact O-N 3.36Å; E102-G105 CarbonylContact O-C 3.47Å; E102-G105 VanDerWaalsContact O-CA 3.24Å; E102-G105 WeakPolarHBondContact O-CA 3.45Å; E102-G105 PolarHBondContact O-N 3.3Å; E102-K106 PolarHBondContact O-N 3.02Å; E102-Y293 HydrophobicContact CG-CD1 4.32Å; E102-Y293 HydrophobicContact CG-CE1 3.75Å; E102-W386 HydrophobicContact CB-CE3 4.33Å; E102-W386 PolarHBondContact OE1-N 3.42Å; E102-S387 WeakPolarHBondContact CG-OG 3.43Å; E102-S387 WeakPolarHBondContact OE1-CB 3.24Å; E102-S387 PolarHBondContact OE1-N 3.48Å; E102-S387 PolarHBondContact OE1-OG 3.04Å
103P89.9Confident92.3Very high20 Ų2036.7 Ų36.713%0.1319%0.188CC..Hα-helixtrans-54.3-45.5-170.2-29.537.2000114.9G105 K106 E107 A296 P300 W386P103-G105 VanDerWaalsContact C-N 3.28Å; P103-G105 PolarHBondContact O-N 3.21Å; P103-K106 WeakPolarHBondContact O-CB 3.42Å; P103-K106 PolarHBondContact O-N 3.06Å; P103-E107 PolarHBondContact O-N 3.22Å; P103-A296 WeakPolarHBondContact CG-O 3.42Å; P103-P300 HydrophobicContact CB-CB 4.41Å; P103-P300 HydrophobicContact CB-CG 4.45Å; P103-W386 HydrophobicContact CG-CH2 3.83Å; P103-W386 HydrophobicContact CG-CZ3 3.91Å
104Y87.3Confident92.3Very high141 Ų14138.9 Ų38.955%0.55319%0.19SC*.Hα-helixtrans-61.5-35.8173.2174.6-102.9000112.6F38 E102 R108F38-Y104 HydrophobicContact CZ-CE1 4.31Å; E102-Y104 PolarHBondContact O-N 3.36Å; Y104-R108 VanDerWaalsContact O-CB 3.25Å; Y104-R108 WeakPolarHBondContact O-CB 3.37Å; Y104-R108 PolarHBondContact O-N 3.33Å
105G86.9Confident92.2Very high2 Ų238.4 Ų38.42%0.02119%0.191CC..Hα-helixtrans-64.6-42.8173.400000112.3E102 P103 D109E102-G105 CarbonylContact O-C 3.47Å; E102-G105 VanDerWaalsContact O-CA 3.24Å; E102-G105 WeakPolarHBondContact O-CA 3.45Å; E102-G105 PolarHBondContact O-N 3.3Å; P103-G105 VanDerWaalsContact C-N 3.28Å; P103-G105 PolarHBondContact O-N 3.21Å; G105-D109 WeakPolarHBondContact O-CB 3.35Å; G105-D109 PolarHBondContact O-N 3.23Å
106K89.5Confident92Very high58 Ų5838.4 Ų38.425%0.25219%0.191SC..Hα-helixtrans-63-45.1174.5-64-174.7179.6-176.40112.3Y99 P101 E102 P103 D109 G110 T297 N298Y99-K106 WeakPolarHBondContact OH-CE 3.37Å; P101-K106 WeakPolarHBondContact O-CE 3.44Å; E102-K106 PolarHBondContact O-N 3.02Å; P103-K106 WeakPolarHBondContact O-CB 3.42Å; P103-K106 PolarHBondContact O-N 3.06Å; K106-D109 PolarHBondContact O-N 3.09Å; K106-G110 PolarHBondContact O-N 2.8Å; K106-T297 VanDerWaalsContact CE-O 3.31Å; K106-T297 WeakPolarHBondContact CE-O 3.35Å; K106-T297 WeakPolarHBondContact CE-OG1 3.36Å; K106-T297 PolarHBondContact NZ-O 3.26Å; K106-T297 PolarHBondContact NZ-OG1 2.96Å; K106-N298 PolarHBondContact NZ-OD1 3.04Å
107E90.7Very high91.8Very high146 Ų14644.4 Ų44.468%0.68222%0.218SC*.Hα-helixtrans-63.7-51.1179.8-175.6177.6-170.600111.4P103 D109 G110 A111P103-E107 PolarHBondContact O-N 3.22Å; E107-D109 PolarHBondContact O-N 2.86Å; E107-G110 PolarHBondContact O-N 3.18Å; E107-A111 PolarHBondContact O-N 2.86Å
108R90.1Very high91.7Very high47 Ų4750 Ų5018%0.17725%0.245CC..Hα-helixtrans-53.8-51.9172.8177.2-159.367.4-141-8.6111.5W5 D100 Y104 G110 A111 I112W5-R108 HydrophobicContact CH2-CG 4.42Å; D100-R108 IonicContact OD2-CZ 3.68Å; D100-R108 IonicContact OD2-NH1 2.85Å; D100-R108 IonicContact OD2-NH2 3.24Å; D100-R108 PolarHBondContact OD2-NH2 3.37Å; D100-R108 VanDerWaalsContact OD2-NH2 3.07Å; Y104-R108 VanDerWaalsContact O-CB 3.25Å; Y104-R108 WeakPolarHBondContact O-CB 3.37Å; Y104-R108 PolarHBondContact O-N 3.33Å; R108-G110 VanDerWaalsContact C-N 3.33Å; R108-G110 PolarHBondContact O-N 2.99Å; R108-A111 PolarHBondContact O-N 3.39Å; R108-I112 WeakPolarHBondContact O-CG1 3.37Å; R108-I112 PolarHBondContact O-N 2.84Å
109D92Very high91.5Very high8 Ų853.6 Ų53.64%0.04326%0.261CS..Hα-helixtrans-66.5-36.1-176.6-71.9-0.1000111.5R7 F97 G105 K106 E107 I112 I113R7-D109 IonicContact CZ-OD1 2.8Å; R7-D109 IonicContact CZ-OD2 3.5Å; R7-D109 IonicContact NH1-OD1 3.28Å; R7-D109 PolarHBondContact NH1-OD1 2.83Å; R7-D109 IonicContact NH1-OD2 3.88Å; R7-D109 PolarHBondContact NH1-OD2 3.38Å; R7-D109 IonicContact NH2-OD1 3.19Å; R7-D109 IonicContact NH2-OD2 3.13Å; R7-D109 PolarHBondContact NH2-OD2 3.43Å; F97-D109 HydrophobicContact CE2-CB 3.96Å; F97-D109 WeakPolarHBondContact CE2-OD2 3.4Å; F97-D109 HydrophobicContact CZ-CB 4.17Å; G105-D109 WeakPolarHBondContact O-CB 3.35Å; G105-D109 PolarHBondContact O-N 3.23Å; K106-D109 PolarHBondContact O-N 3.09Å; E107-D109 PolarHBondContact O-N 2.86Å; D109-I112 PolarHBondContact O-N 2.87Å; D109-I113 WeakPolarHBondContact O-CB 3.35Å; D109-I113 WeakPolarHBondContact O-CD1 3.2Å; D109-I113 WeakPolarHBondContact O-CG1 3.42Å; D109-I113 PolarHBondContact O-N 2.9Å
110G92.6Very high91.4Very high38 Ų3854.4 Ų54.439%0.39228%0.284SS..Hα-helixtrans-61.4-43.4173.100000112.9K106 E107 R108 I113 K114K106-G110 PolarHBondContact O-N 2.8Å; E107-G110 PolarHBondContact O-N 3.18Å; R108-G110 VanDerWaalsContact C-N 3.33Å; R108-G110 PolarHBondContact O-N 2.99Å; G110-I113 PolarHBondContact O-N 2.85Å; G110-K114 PolarHBondContact O-N 3.16Å
111A92.8Very high91.5Very high49 Ų4954.3 Ų54.341%0.40528%0.283SS..Hα-helixtrans-62.5-44.1174.100000112.1E107 R108 K114 M115E107-A111 PolarHBondContact O-N 2.86Å; R108-A111 PolarHBondContact O-N 3.39Å; A111-K114 PolarHBondContact O-N 3.18Å; A111-M115 VanDerWaalsContact O-CB 3.29Å; A111-M115 WeakPolarHBondContact O-CB 3.32Å; A111-M115 PolarHBondContact O-N 2.68Å
112I92.8Very high91.8Very high0 Ų058.9 Ų58.90%031%0.305CS..Hα-helixtrans-67.6-34.5176.6-62.4-54000112.1W5 P79 T80 F83 L95 R108 D109 M115 A116W5-I112 HydrophobicContact CH2-CG1 4.32Å; W5-I112 HydrophobicContact CZ3-CB 4.42Å; W5-I112 HydrophobicContact CZ3-CG1 4.24Å; W5-I112 HydrophobicContact CZ3-CG2 4.12Å; P79-I112 HydrophobicContact CB-CD1 4.16Å; P79-I112 HydrophobicContact CB-CG1 4.45Å; T80-I112 HydrophobicContact CG2-CD1 4.05Å; F83-I112 HydrophobicContact CD2-CD1 3.98Å; F83-I112 HydrophobicContact CD2-CG1 4.38Å; F83-I112 HydrophobicContact CD2-CG2 3.97Å; F83-I112 HydrophobicContact CE2-CG2 4.36Å; F83-I112 HydrophobicContact CG-CG2 4.48Å; L95-I112 HydrophobicContact CD2-CG2 3.83Å; R108-I112 WeakPolarHBondContact O-CG1 3.37Å; R108-I112 PolarHBondContact O-N 2.84Å; D109-I112 PolarHBondContact O-N 2.87Å; I112-M115 HydrophobicContact CD1-SD 4.06Å; I112-M115 PolarHBondContact O-N 3.32Å; I112-A116 VanDerWaalsContact O-CB 3.26Å; I112-A116 WeakPolarHBondContact O-CB 3.33Å; I112-A116 PolarHBondContact O-N 3.25Å
113I94.1Very high92Very high45 Ų4559.9 Ų59.923%0.23131%0.312CS..Hα-helixtrans-65.8-46.3175.5-72.3161.3000111F97 D109 G110 M115 A116 Q117 T123 V125F97-I113 HydrophobicContact CZ-CD1 4.09Å; F97-I113 HydrophobicContact CZ-CG1 3.99Å; D109-I113 WeakPolarHBondContact O-CB 3.35Å; D109-I113 WeakPolarHBondContact O-CD1 3.2Å; D109-I113 WeakPolarHBondContact O-CG1 3.42Å; D109-I113 PolarHBondContact O-N 2.9Å; G110-I113 PolarHBondContact O-N 2.85Å; I113-M115 VanDerWaalsContact C-N 3.34Å; I113-M115 PolarHBondContact O-N 3.02Å; I113-A116 PolarHBondContact O-N 3.19Å; I113-Q117 WeakPolarHBondContact O-CG 3.48Å; I113-Q117 PolarHBondContact O-N 2.88Å; I113-T123 HydrophobicContact CG1-CG2 4.26Å; I113-V125 HydrophobicContact CD1-CG2 4.16Å
114K94.1Very high92.2Very high127 Ų12759.8 Ų59.855%0.55231%0.311SS*.Hα-helixtrans-59.5-47.2175.9-170.6-168.2178.6-116.50111.2G110 A111 A116 Q117 E118G110-K114 PolarHBondContact O-N 3.16Å; A111-K114 PolarHBondContact O-N 3.18Å; K114-A116 VanDerWaalsContact C-N 3.35Å; K114-A116 PolarHBondContact O-N 2.73Å; K114-Q117 WeakPolarHBondContact O-CB 3.24Å; K114-Q117 PolarHBondContact O-N 3.22Å; K114-E118 WeakPolarHBondContact CE-OE1 3.25Å; K114-E118 IonicContact NZ-OE1 3.44Å; K114-E118 PolarHBondContact NZ-OE1 3.27Å; K114-E118 WeakPolarHBondContact O-CG 3.34Å; K114-E118 PolarHBondContact O-N 2.93Å
115M92.2Very high92.6Very high38 Ų3855.3 Ų55.319%0.18730%0.298CS..Hα-helixtrans-61.2-39.6177.4179.2-179.7-76.800112.6T80 P84 A111 I112 I113 E118 F119T80-M115 WeakPolarHBondContact O-CE 3.26Å; P84-M115 VanDerWaalsContact CD-SD 3.58Å; P84-M115 HydrophobicContact CG-CE 4.04Å; P84-M115 HydrophobicContact CG-CG 4.11Å; P84-M115 HydrophobicContact CG-SD 3.41Å; P84-M115 WeakPolarHBondContact CG-SD 3.25Å; A111-M115 VanDerWaalsContact O-CB 3.29Å; A111-M115 WeakPolarHBondContact O-CB 3.32Å; A111-M115 PolarHBondContact O-N 2.68Å; I112-M115 HydrophobicContact CD1-SD 4.06Å; I112-M115 PolarHBondContact O-N 3.32Å; I113-M115 VanDerWaalsContact C-N 3.34Å; I113-M115 PolarHBondContact O-N 3.02Å; M115-E118 PolarHBondContact O-N 2.92Å; M115-F119 HydrophobicContact CG-CD2 4.35Å; M115-F119 HydrophobicContact CG-CE2 4.35Å; M115-F119 VanDerWaalsContact O-CD2 3.27Å; M115-F119 WeakPolarHBondContact O-CD2 3.22Å; M115-F119 PolarHBondContact O-N 3.05Å
116A92.5Very high92.9Very high0 Ų059.5 Ų59.50%031%0.314CS..Hα-helixtrans-64-41.5174.500000111.9F87 I112 I113 K114 F119 G120 V121 T123F87-A116 HydrophobicContact CE2-CB 4.09Å; F87-A116 HydrophobicContact CZ-CB 3.98Å; I112-A116 VanDerWaalsContact O-CB 3.26Å; I112-A116 WeakPolarHBondContact O-CB 3.33Å; I112-A116 PolarHBondContact O-N 3.25Å; I113-A116 PolarHBondContact O-N 3.19Å; K114-A116 VanDerWaalsContact C-N 3.35Å; K114-A116 PolarHBondContact O-N 2.73Å; A116-F119 CarbonylContact O-C 3.58Å; A116-F119 PolarHBondContact O-N 2.91Å; A116-F119 VanDerWaalsContact O-N 3.14Å; A116-G120 PolarHBondContact O-N 3.07Å; A116-G120 VanDerWaalsContact O-N 3.1Å; A116-V121 HydrophobicContact CB-CB 4.07Å; A116-V121 WeakPolarHBondContact O-CB 3.24Å; A116-V121 PolarHBondContact O-N 3.33Å; A116-T123 HydrophobicContact CB-CG2 3.35Å
117Q93.1Very high93.1Very high125 Ų12558.3 Ų58.358%0.58431%0.31SS*.Hα-helixtrans-63.1-40.8174.3-68.71690.400112.2I113 K114 F119 G120I113-Q117 WeakPolarHBondContact O-CG 3.48Å; I113-Q117 PolarHBondContact O-N 2.88Å; K114-Q117 WeakPolarHBondContact O-CB 3.24Å; K114-Q117 PolarHBondContact O-N 3.22Å; Q117-F119 PolarHBondContact O-N 3.27Å; Q117-G120 PolarHBondContact O-N 3.35Å
118E92.9Very high93.2Very high120 Ų12051.4 Ų51.456%0.56128%0.278SS*.Hα-helixtrans-60.7-25.9174-71168.2-175.400112.8K114 M115K114-E118 WeakPolarHBondContact CE-OE1 3.25Å; K114-E118 IonicContact NZ-OE1 3.44Å; K114-E118 PolarHBondContact NZ-OE1 3.27Å; K114-E118 WeakPolarHBondContact O-CG 3.34Å; K114-E118 PolarHBondContact O-N 2.93Å; M115-E118 PolarHBondContact O-N 2.92Å
119F91.5Very high93.4Very high86 Ų8649.3 Ų49.338%0.37727%0.27SS..THydrogen-bonded Turntrans-97.55.3172.9-75.3-65.9000114.8P84 F87 M115 A116 Q117 V121P84-F119 HydrophobicContact CB-CE2 3.8Å; P84-F119 HydrophobicContact CB-CZ 4.11Å; P84-F119 HydrophobicContact CG-CE2 4.17Å; F87-F119 HydrophobicContact CD2-CB 3.98Å; F87-F119 AromaticContact CD2-CD2 3.74Å; F87-F119 HydrophobicContact CD2-CD2 3.74Å; F87-F119 HydrophobicContact CD2-CG 4.06Å; F87-F119 HydrophobicContact CE2-CD2 4.36Å; M115-F119 HydrophobicContact CG-CD2 4.35Å; M115-F119 HydrophobicContact CG-CE2 4.35Å; M115-F119 VanDerWaalsContact O-CD2 3.27Å; M115-F119 WeakPolarHBondContact O-CD2 3.22Å; M115-F119 PolarHBondContact O-N 3.05Å; A116-F119 CarbonylContact O-C 3.58Å; A116-F119 PolarHBondContact O-N 2.91Å; A116-F119 VanDerWaalsContact O-N 3.14Å; Q117-F119 PolarHBondContact O-N 3.27Å; F119-V121 VanDerWaalsContact C-N 3.33Å; F119-V121 HydrophobicContact CB-CG2 4.02Å; F119-V121 PolarHBondContact O-N 2.99Å
120G92.6Very high93.5Very high67 Ų6749 Ų4969%0.69127%0.268SS*.THydrogen-bonded Turntrans72.320.8-179.800000115A116 Q117A116-G120 PolarHBondContact O-N 3.07Å; A116-G120 VanDerWaalsContact O-N 3.1Å; Q117-G120 PolarHBondContact O-N 3.35Å
121V94Very high93.5Very high6 Ų647.3 Ų47.34%0.03625%0.25CS..  trans-92.9125.9-176.6-175.60000110.8F87 V92 L95 A116 F119 T123F87-V121 HydrophobicContact CB-CG2 4.36Å; F87-V121 HydrophobicContact CD1-CG2 4.09Å; F87-V121 HydrophobicContact CD2-CG2 4.15Å; F87-V121 HydrophobicContact CE1-CG1 4.27Å; F87-V121 HydrophobicContact CE1-CG2 4.4Å; F87-V121 HydrophobicContact CE2-CG2 4.46Å; F87-V121 HydrophobicContact CG-CG2 3.96Å; V92-V121 HydrophobicContact CG1-CG1 4.04Å; L95-V121 HydrophobicContact CB-CG1 4.01Å; A116-V121 HydrophobicContact CB-CB 4.07Å; A116-V121 WeakPolarHBondContact O-CB 3.24Å; A116-V121 PolarHBondContact O-N 3.33Å; F119-V121 VanDerWaalsContact C-N 3.33Å; F119-V121 HydrophobicContact CB-CG2 4.02Å; F119-V121 PolarHBondContact O-N 2.99Å; V121-T123 PolarHBondContact O-N 3.28Å
122E94.9Very high93.5Very high97 Ų9746 Ų4645%0.45324%0.235SC..EExtended strand (participates in β ladder)trans-68.4123.4175.4-174.3-167.3176.800111.1T93 R94 L95 V124T93-E122 PolarHBondContact O-N 3.29Å; R94-E122 CarbonylContact C-O 3.59Å; R94-E122 VanDerWaalsContact CA-O 3.26Å; R94-E122 WeakPolarHBondContact CA-O 3.26Å; R94-E122 HydrophobicContact CB-CB 4.32Å; R94-E122 HydrophobicContact CG-CB 4.32Å; R94-E122 WeakPolarHBondContact CG-O 3.22Å; R94-E122 IonicContact CZ-OE2 3.45Å; R94-E122 IonicContact NE-OE1 2.87Å; R94-E122 IonicContact NE-OE2 3.71Å; R94-E122 PolarHBondContact NE-OE2 2.79Å; R94-E122 IonicContact NH2-OE1 2.75Å; R94-E122 IonicContact NH2-OE2 3.55Å; R94-E122 PolarHBondContact NH2-OE2 3.2Å; L95-E122 PolarHBondContact N-O 2.93Å; E122-V124 HydrophobicContact CG-CG2 4.23Å
123T95Very high93.5Very high38 Ų3850 Ų5023%0.23326%0.256CS..EExtended strand (participates in β ladder)trans-102.5112.9178.156.10000112.6L95 I113 A116 V121L95-T123 CarbonylContact O-C 3.52Å; L95-T123 WeakPolarHBondContact O-CA 3.35Å; I113-T123 HydrophobicContact CG1-CG2 4.26Å; A116-T123 HydrophobicContact CB-CG2 3.35Å; V121-T123 PolarHBondContact O-N 3.28Å
124V95.3Very high93.4Very high18 Ų1847.8 Ų47.811%0.10925%0.245CC..EExtended strand (participates in β ladder)trans-108.2104.3177.7-171.90000110.9E20 R94 L95 T96 F97 E122 R126E20-V124 HydrophobicContact CB-CG1 4Å; E20-V124 HydrophobicContact CG-CG1 4.31Å; R94-V124 HydrophobicContact CG-CG2 4.15Å; L95-V124 PolarHBondContact O-N 2.88Å; T96-V124 VanDerWaalsContact CA-O 3.25Å; T96-V124 WeakPolarHBondContact CA-O 3.42Å; T96-V124 WeakPolarHBondContact CB-O 3.34Å; T96-V124 HydrophobicContact CG2-CB 3.95Å; T96-V124 HydrophobicContact CG2-CG2 4.46Å; F97-V124 PolarHBondContact N-O 3.29Å; E122-V124 HydrophobicContact CG-CG2 4.23Å; V124-R126 HydrophobicContact CG1-CG 4.4Å
125V94.9Very high93.3Very high46 Ų4644.1 Ų44.128%0.27923%0.232SC..EExtended strand (participates in β ladder)trans-100.9132.6178.5-170.30000109.9F97 Y99 I113F97-V125 HydrophobicContact CD2-CG1 3.97Å; F97-V125 HydrophobicContact CD2-CG2 4.07Å; F97-V125 HydrophobicContact CE1-CG2 4.19Å; F97-V125 HydrophobicContact CE2-CB 4.25Å; F97-V125 HydrophobicContact CE2-CG1 3.81Å; F97-V125 HydrophobicContact CE2-CG2 3.45Å; F97-V125 VanDerWaalsContact CE2-CG2 3.45Å; F97-V125 HydrophobicContact CZ-CG2 3.53Å; Y99-V125 HydrophobicContact CD2-CG1 4.12Å; Y99-V125 HydrophobicContact CG-CG1 4.5Å; I113-V125 HydrophobicContact CD1-CG2 4.16Å
126R94.1Very high93.2Very high90 Ų9048.5 Ų48.534%0.3425%0.246SC..EExtended strand (participates in β ladder)trans-134.5133.7176.4-62.8-64.7172.592.62.7111.1P16 A17 E20 F97 E98 Y99 V124P16-R126 HydrophobicContact CB-CB 4.13Å; P16-R126 HydrophobicContact CB-CG 4.44Å; P16-R126 HydrophobicContact CG-CB 4.02Å; A17-R126 HydrophobicContact CB-CB 4.34Å; E20-R126 IonicContact OE1-CZ 3.68Å; E20-R126 IonicContact OE1-NH1 2.98Å; E20-R126 PolarHBondContact OE1-NH1 3.4Å; E20-R126 IonicContact OE1-NH2 3.23Å; E20-R126 PolarHBondContact OE1-NH2 2.98Å; F97-R126 PolarHBondContact O-N 3.03Å; E98-R126 CarbonylContact C-O 3.54Å; E98-R126 WeakPolarHBondContact CA-O 3.29Å; Y99-R126 PolarHBondContact N-O 3.03Å; V124-R126 HydrophobicContact CG1-CG 4.4Å
127N92.3Very high93.2Very high34 Ų3448.5 Ų48.518%0.18225%0.246CC..  trans-81.1121173.6-176-17.6000110.7Y99 H129 T130 R259Y99-N127 HydrophobicContact CD1-CB 4.32Å; Y99-N127 HydrophobicContact CG-CB 4.39Å; N127-H129 PolarHBondContact OD1-N 3.49Å; N127-T130 PolarHBondContact ND2-OG1 2.7Å; N127-T130 PolarHBondContact OD1-N 3.07Å; N127-T130 PolarHBondContact OD1-OG1 3.09Å; N127-R259 VanDerWaalsContact O-CZ 3.28Å; N127-R259 PolarHBondContact O-NH1 3.26Å; N127-R259 PolarHBondContact O-NH2 2.84Å
128S93.1Very high93.1Very high0 Ų043 Ų430%022%0.22CC..  trans-137.8-2.3165.238.40000114.5R11 P16 E98 T130R11-S128 PolarHBondContact NH2-OG 2.73Å; P16-S128 VanDerWaalsContact CD-OG 3.32Å; P16-S128 WeakPolarHBondContact CD-OG 3.28Å; P16-S128 WeakPolarHBondContact CG-OG 3.11Å; E98-S128 WeakPolarHBondContact OE1-CA 3.49Å; E98-S128 WeakPolarHBondContact OE1-CB 3.26Å; E98-S128 PolarHBondContact OE1-OG 3.45Å; S128-T130 VanDerWaalsContact C-N 3.33Å
129H93.9Very high93.1Very high4 Ų441.4 Ų41.42%0.01921%0.213CC..SBendtrans-76-22.9176.1-164.259.4000112.4E98 N127 R289 Y293E98-H129 HydrophobicContact CG-CB 4.08Å; E98-H129 PolarHBondContact OE1-N 3.3Å; E98-H129 VanDerWaalsContact OE1-N 3.14Å; E98-H129 IonicContact OE2-ND1 2.7Å; N127-H129 PolarHBondContact OD1-N 3.49Å; H129-R289 PolarHBondContact CE1-NH2 2.95Å; H129-R289 PolarHBondContact ND1-NH2 3.4Å; H129-R289 PolarHBondContact NE2-NH2 3.17Å; H129-R289 VanDerWaalsContact NE2-NH2 3.15Å; H129-R289 VanDerWaalsContact O-CZ 3.32Å; H129-R289 PolarHBondContact O-NH1 3.21Å; H129-R289 PolarHBondContact O-NH2 3.47Å; H129-Y293 AromaticContact CD2-CZ 3.87Å; H129-Y293 PolarHBondContact CD2-OH 3.47Å; H129-Y293 VanDerWaalsContact CD2-OH 3.29Å; H129-Y293 AromaticContact NE2-CZ 3.76Å; H129-Y293 PolarHBondContact NE2-OH 2.85Å
130T94.1Very high93.1Very high0 Ų040.6 Ų40.60%021%0.211CC..SBendtrans-118.9153.4174.7630000112.3P101 N127 S128 Y132 L134 C258 R259 E290 Y293P101-T130 HydrophobicContact CG-CG2 4.4Å; N127-T130 PolarHBondContact ND2-OG1 2.7Å; N127-T130 PolarHBondContact OD1-N 3.07Å; N127-T130 PolarHBondContact OD1-OG1 3.09Å; S128-T130 VanDerWaalsContact C-N 3.33Å; T130-Y132 PolarHBondContact OG1-O 2.76Å; T130-L134 HydrophobicContact CG2-CD1 4.39Å; T130-L134 HydrophobicContact CG2-CD2 4.18Å; T130-C258 VanDerWaalsContact C-SG 3.57Å; T130-R259 PolarHBondContact O-NE 2.89Å; T130-R259 PolarHBondContact O-NH2 3.39Å; T130-E290 WeakPolarHBondContact CA-OE1 3.13Å; T130-E290 WeakPolarHBondContact CB-OE1 3.29Å; T130-E290 WeakPolarHBondContact CB-OE2 3.47Å; T130-Y293 HydrophobicContact CG2-CD2 4.16Å; T130-Y293 HydrophobicContact CG2-CG 4.38Å
131L93.4Very high93Very high3 Ų338.4 Ų38.42%0.01618%0.184CC..SBendtrans-64.1-44.3177.1-66.8176.7000110.9P162 C258 R259 Y262 L286 E290L131-P162 HydrophobicContact CB-CB 4.16Å; L131-P162 HydrophobicContact CB-CG 4.03Å; L131-P162 HydrophobicContact CD2-CB 4.3Å; L131-P162 HydrophobicContact CD2-CG 4.42Å; L131-C258 HydrophobicContact CD2-CB 4.04Å; L131-C258 WeakPolarHBondContact CD2-O 3.23Å; L131-C258 HydrophobicContact CG-CB 4.35Å; L131-R259 HydrophobicContact CD2-CB 4.5Å; L131-R259 HydrophobicContact CD2-CG 3.97Å; L131-Y262 HydrophobicContact CD1-CD2 3.95Å; L131-Y262 HydrophobicContact CD1-CG 4.47Å; L131-Y262 HydrophobicContact CD2-CD2 4.41Å; L131-Y262 HydrophobicContact CD2-CG 4.12Å; L131-L286 HydrophobicContact CD1-CB 4.11Å; L131-L286 HydrophobicContact CD1-CD1 4.37Å; L131-E290 HydrophobicContact CB-CG 4.31Å; L131-E290 WeakPolarHBondContact CB-OE2 3.33Å; L131-E290 HydrophobicContact CD1-CG 4.22Å; L131-E290 HydrophobicContact CG-CG 4.36Å; L131-E290 PolarHBondContact N-OE1 3.45Å; L131-E290 PolarHBondContact N-OE2 3.07Å
132Y92.8Very high92.8Very high21 Ų2144.4 Ų44.48%0.08222%0.215CC..SBendtrans-112.5163.1-175.1-62.1-84.4000112.1T130 L134 I137 V156 L159 E160 P162 L287 E290T130-Y132 PolarHBondContact OG1-O 2.76Å; Y132-L134 PolarHBondContact O-N 2.69Å; Y132-I137 HydrophobicContact CG-CD1 4.4Å; Y132-V156 HydrophobicContact CE1-CG1 4.36Å; Y132-V156 HydrophobicContact CE2-CG1 3.76Å; Y132-V156 WeakPolarHBondContact OH-CG1 3.29Å; Y132-L159 HydrophobicContact CD1-CB 4.38Å; Y132-L159 HydrophobicContact CD1-CD1 3.94Å; Y132-L159 HydrophobicContact CE1-CB 4.14Å; Y132-L159 HydrophobicContact CE1-CD1 4.37Å; Y132-E160 WeakPolarHBondContact CE1-O 3.25Å; Y132-P162 HydrophobicContact CE1-CG 4.01Å; Y132-P162 HydrophobicContact CE2-CG 4Å; Y132-L287 HydrophobicContact CE2-CD2 4.47Å; Y132-E290 PolarHBondContact N-OE2 3.33Å
133N92.3Very high92.5Very high84 Ų8445.5 Ų45.545%0.44923%0.225SC..  trans-77.8117.6162.2-173.814.3000109R136 I137N133-R136 HydrophobicContact CB-CB 4.24Å; N133-R136 PolarHBondContact O-N 3.37Å; N133-I137 PolarHBondContact O-N 3.01Å
134L92.8Very high92.1Very high0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-67.8-38.7-174.1-48.9-179.4000111.7P101 T130 Y132 R136 I137 I138 T297P101-L134 HydrophobicContact CB-CD1 3.42Å; P101-L134 VanDerWaalsContact CB-CD1 3.42Å; P101-L134 HydrophobicContact CG-CD1 4.14Å; T130-L134 HydrophobicContact CG2-CD1 4.39Å; T130-L134 HydrophobicContact CG2-CD2 4.18Å; Y132-L134 PolarHBondContact O-N 2.69Å; L134-R136 PolarHBondContact O-N 3.47Å; L134-I137 WeakPolarHBondContact O-CA 3.42Å; L134-I137 WeakPolarHBondContact O-CB 3.44Å; L134-I137 PolarHBondContact O-N 2.91Å; L134-I138 WeakPolarHBondContact O-CG1 3.3Å; L134-I138 PolarHBondContact O-N 2.94Å; L134-I138 VanDerWaalsContact O-N 3.08Å; L134-T297 HydrophobicContact CB-CG2 4.45Å
135D90.9Very high91.9Very high50 Ų5049.3 Ų49.327%0.26725%0.245SC..Hα-helixtrans-60.8-35.7179.6-55.9-36.6000110.6I137 I138 E139D135-I137 PolarHBondContact O-N 2.86Å; D135-I138 WeakPolarHBondContact O-CB 3.33Å; D135-I138 PolarHBondContact O-N 2.64Å; D135-E139 WeakPolarHBondContact O-CG 3.47Å; D135-E139 PolarHBondContact O-N 3.38Å
136R91.5Very high91.6Very high130 Ų13047.2 Ų47.249%0.49123%0.232SC..Hα-helixtrans-68.9-29.8174.9-172.255.3171.4-170.7-1.7113.5N133 L134 I138 E139 M140 L159N133-R136 HydrophobicContact CB-CB 4.24Å; N133-R136 PolarHBondContact O-N 3.37Å; L134-R136 PolarHBondContact O-N 3.47Å; R136-I138 VanDerWaalsContact C-N 3.33Å; R136-E139 WeakPolarHBondContact CD-OE2 3.24Å; R136-E139 IonicContact CZ-OE2 3.47Å; R136-E139 IonicContact NE-OE2 2.72Å; R136-E139 IonicContact NH1-OE2 2.69Å; R136-E139 PolarHBondContact NH1-OE2 3.36Å; R136-M140 WeakPolarHBondContact O-CB 3.38Å; R136-M140 WeakPolarHBondContact O-CG 3.41Å; R136-M140 PolarHBondContact O-N 2.74Å; R136-M140 VanDerWaalsContact O-N 3.16Å; R136-L159 HydrophobicContact CG-CD2 4.2Å
137I91.7Very high91.4Very high0 Ų046.7 Ų46.70%024%0.236CC..Hα-helixtrans-69.5-37.1172.7-62.4167.3000109.9Y132 N133 L134 D135 N141 P146 F152 I155 L159 T294Y132-I137 HydrophobicContact CG-CD1 4.4Å; N133-I137 PolarHBondContact O-N 3.01Å; L134-I137 WeakPolarHBondContact O-CA 3.42Å; L134-I137 WeakPolarHBondContact O-CB 3.44Å; L134-I137 PolarHBondContact O-N 2.91Å; D135-I137 PolarHBondContact O-N 2.86Å; I137-N141 PolarHBondContact O-N 3.27Å; I137-P146 HydrophobicContact CG2-CG 4.2Å; I137-F152 HydrophobicContact CD1-CE2 3.94Å; I137-F152 HydrophobicContact CD1-CZ 4.49Å; I137-F152 HydrophobicContact CG2-CD2 4.22Å; I137-F152 HydrophobicContact CG2-CE2 4.26Å; I137-I155 HydrophobicContact CG2-CD1 4.5Å; I137-I155 HydrophobicContact CG2-CG2 4.02Å; I137-L159 HydrophobicContact CD1-CD1 4.41Å; I137-L159 HydrophobicContact CG1-CD1 3.66Å; I137-T294 HydrophobicContact CB-CG2 4.02Å; I137-T294 HydrophobicContact CG2-CG2 3.78Å
138I92.2Very high91.2Very high8 Ų848.6 Ų48.64%0.04125%0.249CC..Hα-helixtrans-70.5-46.3178.3-67.5168.2000110.7L134 D135 R136 M140 N141 N143 N144 P145 T294 T297L134-I138 WeakPolarHBondContact O-CG1 3.3Å; L134-I138 PolarHBondContact O-N 2.94Å; L134-I138 VanDerWaalsContact O-N 3.08Å; D135-I138 WeakPolarHBondContact O-CB 3.33Å; D135-I138 PolarHBondContact O-N 2.64Å; R136-I138 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 2.89Å; I138-N141 CarbonylContact O-C 3.08Å; I138-N141 WeakPolarHBondContact O-CA 3.49Å; I138-N141 PolarHBondContact O-N 3.48Å; I138-N143 VanDerWaalsContact CG2-C 3.4Å; I138-N143 WeakPolarHBondContact CG2-O 3.32Å; I138-N143 VanDerWaalsContact O-CA 3.27Å; I138-N143 WeakPolarHBondContact O-CA 3.5Å; I138-N143 PolarHBondContact O-N 3.03Å; I138-N144 PolarHBondContact O-N 2.83Å; I138-P145 HydrophobicContact CG1-CB 4.46Å; I138-T294 HydrophobicContact CD1-CG2 4.21Å; I138-T294 HydrophobicContact CG1-CG2 3.82Å; I138-T297 HydrophobicContact CD1-CG2 3.43Å; I138-T297 VanDerWaalsContact CD1-CG2 3.43Å
139E92.1Very high91Very high87 Ų8750.1 Ų50.141%0.40726%0.255SS..Hα-helixtrans-51.7-52.1171-74.4169.5-159.100111.7D135 R136 N141 N142D135-E139 WeakPolarHBondContact O-CG 3.47Å; D135-E139 PolarHBondContact O-N 3.38Å; R136-E139 WeakPolarHBondContact CD-OE2 3.24Å; R136-E139 IonicContact CZ-OE2 3.47Å; R136-E139 IonicContact NE-OE2 2.72Å; R136-E139 IonicContact NH1-OE2 2.69Å; R136-E139 PolarHBondContact NH1-OE2 3.36Å; E139-N141 PolarHBondContact O-N 2.77Å; E139-N142 PolarHBondContact O-N 3.07Å; E139-N142 VanDerWaalsContact O-N 3.14Å
140M90.4Very high90.8Very high69 Ų6955.4 Ų55.434%0.3428%0.278SS..THydrogen-bonded Turntrans-66.6-5.1179.2-73.5-175.865.700114.3R136 I138 I155 R158 L159R136-M140 WeakPolarHBondContact O-CB 3.38Å; R136-M140 WeakPolarHBondContact O-CG 3.41Å; R136-M140 PolarHBondContact O-N 2.74Å; R136-M140 VanDerWaalsContact O-N 3.16Å; I138-M140 PolarHBondContact O-N 2.89Å; M140-I155 HydrophobicContact CB-CG2 3.97Å; M140-I155 HydrophobicContact CE-CG2 4.46Å; M140-R158 HydrophobicContact CE-CB 4.16Å; M140-L159 HydrophobicContact CE-CD2 4.48Å; M140-L159 HydrophobicContact SD-CD2 3.45Å; M140-L159 WeakPolarHBondContact SD-CD2 3.41Å; M140-L159 HydrophobicContact SD-CG 3.99Å
141N92.3Very high90.6Very high21 Ų2161.1 Ų61.111%0.11230%0.3CS..THydrogen-bonded Turntrans-12039.2174.5-165.963.8000111.7I137 I138 E139 N144 R151 I155I137-N141 PolarHBondContact O-N 3.27Å; I138-N141 CarbonylContact O-C 3.08Å; I138-N141 WeakPolarHBondContact O-CA 3.49Å; I138-N141 PolarHBondContact O-N 3.48Å; E139-N141 PolarHBondContact O-N 2.77Å; N141-N144 WeakPolarHBondContact CB-O 3.44Å; N141-N144 PolarHBondContact ND2-O 3.36Å; N141-N144 PolarHBondContact O-N 2.72Å; N141-R151 VanDerWaalsContact OD1-CZ 3.26Å; N141-R151 PolarHBondContact OD1-NE 3.17Å; N141-R151 PolarHBondContact OD1-NH2 2.95Å; N141-I155 HydrophobicContact CB-CD1 3.75Å
142N88.9Confident90.5Very high132 Ų13261 Ų6171%0.70630%0.299SS*.THydrogen-bonded Turntrans58.947.7177.1-56.1-9.8000112.5E139 N144E139-N142 PolarHBondContact O-N 3.07Å; E139-N142 VanDerWaalsContact O-N 3.14Å; N142-N144 PolarHBondContact O-N 2.78Å; N142-N144 VanDerWaalsContact O-N 3.1Å; N142-N144 PolarHBondContact O-ND2 3.25Å
143N88.4Confident90.4Very high121 Ų12162.4 Ų62.465%0.64731%0.306SS*.THydrogen-bonded Turntrans56.919.5-177.9-60.6-22.9000115.2I138I138-N143 VanDerWaalsContact CG2-C 3.4Å; I138-N143 WeakPolarHBondContact CG2-O 3.32Å; I138-N143 VanDerWaalsContact O-CA 3.27Å; I138-N143 WeakPolarHBondContact O-CA 3.5Å; I138-N143 PolarHBondContact O-N 3.03Å
144N87.8Confident90.4Very high102 Ų10260.5 Ų60.555%0.54530%0.302SS..SBendtrans-122.2139.3179.6-79.3-94000110.9I138 N141 N142I138-N144 PolarHBondContact O-N 2.83Å; N141-N144 WeakPolarHBondContact CB-O 3.44Å; N141-N144 PolarHBondContact ND2-O 3.36Å; N141-N144 PolarHBondContact O-N 2.72Å; N142-N144 PolarHBondContact O-N 2.78Å; N142-N144 VanDerWaalsContact O-N 3.1Å; N142-N144 PolarHBondContact O-ND2 3.25Å
145P89.6Confident90.3Very high33 Ų3360.8 Ų60.821%0.21430%0.304CS..  trans-64.8139.9176.827.3-34.2000111.4I138 L147 T294I138-P145 HydrophobicContact CG1-CB 4.46Å; P145-L147 HydrophobicContact CG-CD2 4.33Å; P145-L147 PolarHBondContact O-N 3.46Å; P145-T294 WeakPolarHBondContact CB-O 3.19Å
146P89.8Confident90.3Very high2 Ų258.6 Ų58.61%0.01329%0.292CS..  trans-71.8113.9178.728.1-33.1000110.7I137 T148 R151 F152 I155 F291 T294I137-P146 HydrophobicContact CG2-CG 4.2Å; P146-T148 VanDerWaalsContact C-N 3.3Å; P146-T148 PolarHBondContact O-N 2.91Å; P146-R151 HydrophobicContact CB-CB 4.41Å; P146-R151 HydrophobicContact CB-CG 3.97Å; P146-F152 HydrophobicContact CB-CB 4.25Å; P146-F152 HydrophobicContact CG-CB 4Å; P146-F152 HydrophobicContact CG-CD2 3.86Å; P146-F152 HydrophobicContact CG-CG 4.45Å; P146-I155 HydrophobicContact CB-CD1 3.84Å; P146-I155 HydrophobicContact CG-CD1 4.08Å; P146-F291 WeakPolarHBondContact O-CE2 3.38Å; P146-T294 HydrophobicContact CG-CG2 4.38Å
147L88.6Confident90.1Very high80 Ų8056.2 Ų56.242%0.41930%0.295SS..  trans-85.711.9-176.3-54.9-176.7000115P145 I310 F401P145-L147 HydrophobicContact CG-CD2 4.33Å; P145-L147 PolarHBondContact O-N 3.46Å; L147-I310 HydrophobicContact CD1-CG2 3.86Å; L147-I310 HydrophobicContact CD2-CG2 3.8Å; L147-F401 HydrophobicContact CD2-CE1 4.12Å
148T89.3Confident90Very high74 Ų7465.6 Ų65.645%0.45433%0.331SS..SBendtrans-139.6142.2169.967.10000111.3P146 K150 R151 F152P146-T148 VanDerWaalsContact C-N 3.3Å; P146-T148 PolarHBondContact O-N 2.91Å; T148-K150 VanDerWaalsContact C-N 3.31Å; T148-K150 PolarHBondContact O-N 2.95Å; T148-R151 PolarHBondContact O-N 3.12Å; T148-R151 VanDerWaalsContact O-N 3.07Å; T148-R151 VanDerWaalsContact OG1-CB 3.27Å; T148-R151 WeakPolarHBondContact OG1-CB 3.25Å; T148-R151 PolarHBondContact OG1-N 2.77Å; T148-F152 PolarHBondContact O-N 2.69Å
149F88.8Confident89.8Confident32 Ų3267.1 Ų67.114%0.1434%0.339CS..Hα-helixtrans-61.7-37.8-177.5-169.5-115000112.7R151 F152 Q153 L287 W288 F291F149-R151 PolarHBondContact O-N 3.49Å; F149-F152 HydrophobicContact CD2-CD1 4.28Å; F149-F152 HydrophobicContact CE2-CD1 4.21Å; F149-F152 WeakPolarHBondContact O-CB 3.02Å; F149-F152 PolarHBondContact O-N 3.13Å; F149-Q153 HydrophobicContact CD1-CG 4.23Å; F149-Q153 VanDerWaalsContact CE1-CD 3.49Å; F149-Q153 HydrophobicContact CE1-CG 4.01Å; F149-Q153 VanDerWaalsContact CE1-NE2 3.3Å; F149-Q153 HydrophobicContact CZ-CG 4.2Å; F149-Q153 WeakPolarHBondContact O-CG 3.31Å; F149-Q153 PolarHBondContact O-N 3.09Å; F149-L287 HydrophobicContact CE2-CB 4.05Å; F149-L287 HydrophobicContact CZ-CB 3.91Å; F149-W288 HydrophobicContact CB-CH2 3.6Å; F149-W288 HydrophobicContact CB-CZ2 3.99Å; F149-W288 HydrophobicContact CB-CZ3 3.92Å; F149-W288 HydrophobicContact CD1-CD2 4.46Å; F149-W288 AromaticContact CD1-CE2 3.82Å; F149-W288 HydrophobicContact CD1-CH2 4.19Å; F149-W288 AromaticContact CD1-CZ2 3.67Å; F149-W288 HydrophobicContact CD1-CZ2 3.67Å; F149-W288 AromaticContact CD2-CD2 3.73Å; F149-W288 HydrophobicContact CD2-CD2 3.73Å; F149-W288 AromaticContact CD2-CE2 3.94Å; F149-W288 AromaticContact CD2-CE3 3.7Å; F149-W288 HydrophobicContact CD2-CE3 3.7Å; F149-W288 HydrophobicContact CD2-CG 4.38Å; F149-W288 HydrophobicContact CD2-CH2 4.12Å; F149-W288 HydrophobicContact CD2-CZ2 4.13Å; F149-W288 AromaticContact CD2-CZ3 3.9Å; F149-W288 HydrophobicContact CD2-CZ3 3.9Å; F149-W288 HydrophobicContact CE1-CD2 4.37Å; F149-W288 AromaticContact CE1-CE2 3.81Å; F149-W288 HydrophobicContact CE1-CZ2 4.13Å; F149-W288 AromaticContact CE1-NE1 3.72Å; F149-W288 HydrophobicContact CE2-CB 4.41Å; F149-W288 AromaticContact CE2-CD2 3.66Å; F149-W288 HydrophobicContact CE2-CD2 3.66Å; F149-W288 AromaticContact CE2-CE2 3.95Å; F149-W288 HydrophobicContact CE2-CE3 4.04Å; F149-W288 AromaticContact CE2-CG 3.83Å; F149-W288 HydrophobicContact CE2-CG 3.83Å; F149-W288 HydrophobicContact CG-CD2 4.15Å; F149-W288 AromaticContact CG-CE2 3.87Å; F149-W288 HydrophobicContact CG-CE3 4.17Å; F149-W288 AromaticContact CG-CH2 3.72Å; F149-W288 HydrophobicContact CG-CH2 3.72Å; F149-W288 AromaticContact CG-CZ2 3.67Å; F149-W288 HydrophobicContact CG-CZ2 3.67Å; F149-W288 AromaticContact CG-CZ3 3.97Å; F149-W288 HydrophobicContact CG-CZ3 3.97Å; F149-W288 AromaticContact CZ-CD1 3.82Å; F149-W288 AromaticContact CZ-CD2 3.99Å; F149-W288 HydrophobicContact CZ-CD2 3.99Å; F149-W288 AromaticContact CZ-CE2 3.87Å; F149-W288 AromaticContact CZ-CG 3.96Å; F149-W288 HydrophobicContact CZ-CG 3.96Å; F149-W288 AromaticContact CZ-NE1 3.74Å; F149-F291 HydrophobicContact CD2-CB 4Å; F149-F291 HydrophobicContact CD2-CD1 4.39Å; F149-F291 HydrophobicContact CD2-CD2 4.25Å; F149-F291 AromaticContact CD2-CG 3.97Å; F149-F291 HydrophobicContact CD2-CG 3.97Å; F149-F291 HydrophobicContact CE2-CB 4.24Å
150K88.9Confident89.6Confident115 Ų11571.2 Ų71.250%0.536%0.358SS..Hα-helixtrans-59.7-41.5172.9-75.4-177.8173177.20112.3T148 A154T148-K150 VanDerWaalsContact C-N 3.31Å; T148-K150 PolarHBondContact O-N 2.95Å; K150-A154 WeakPolarHBondContact O-CB 3.23Å; K150-A154 PolarHBondContact O-N 2.65Å; K150-A154 VanDerWaalsContact O-N 3.09Å
151R89.9Confident89.5Confident119 Ų11972.4 Ų72.445%0.44937%0.365SS..Hα-helixtrans-67.6-42.4176.6178.659.7176.9-164.6-0.4111.3N141 P146 T148 F149 A154 I155N141-R151 VanDerWaalsContact OD1-CZ 3.26Å; N141-R151 PolarHBondContact OD1-NE 3.17Å; N141-R151 PolarHBondContact OD1-NH2 2.95Å; P146-R151 HydrophobicContact CB-CB 4.41Å; P146-R151 HydrophobicContact CB-CG 3.97Å; T148-R151 PolarHBondContact O-N 3.12Å; T148-R151 VanDerWaalsContact O-N 3.07Å; T148-R151 VanDerWaalsContact OG1-CB 3.27Å; T148-R151 WeakPolarHBondContact OG1-CB 3.25Å; T148-R151 PolarHBondContact OG1-N 2.77Å; F149-R151 PolarHBondContact O-N 3.49Å; R151-A154 PolarHBondContact O-N 2.88Å; R151-I155 HydrophobicContact CG-CD1 4.17Å; R151-I155 WeakPolarHBondContact O-CD1 3.48Å; R151-I155 WeakPolarHBondContact O-CG1 3.44Å; R151-I155 PolarHBondContact O-N 3.01Å; R151-I155 VanDerWaalsContact O-N 3.14Å
152F92.3Very high89.4Confident0 Ų071.5 Ų71.50%036%0.361CS..Hα-helixtrans-58.4-49.5174.3174.6-95.5000112I137 P146 T148 F149 A154 I155 V156 L287 E290 F291I137-F152 HydrophobicContact CD1-CE2 3.94Å; I137-F152 HydrophobicContact CD1-CZ 4.49Å; I137-F152 HydrophobicContact CG2-CD2 4.22Å; I137-F152 HydrophobicContact CG2-CE2 4.26Å; P146-F152 HydrophobicContact CB-CB 4.25Å; P146-F152 HydrophobicContact CG-CB 4Å; P146-F152 HydrophobicContact CG-CD2 3.86Å; P146-F152 HydrophobicContact CG-CG 4.45Å; T148-F152 PolarHBondContact O-N 2.69Å; F149-F152 HydrophobicContact CD2-CD1 4.28Å; F149-F152 HydrophobicContact CE2-CD1 4.21Å; F149-F152 WeakPolarHBondContact O-CB 3.02Å; F149-F152 PolarHBondContact O-N 3.13Å; F152-A154 VanDerWaalsContact C-N 3.27Å; F152-A154 PolarHBondContact O-N 3.37Å; F152-I155 PolarHBondContact O-N 3.2Å; F152-V156 HydrophobicContact CD1-CG2 4.13Å; F152-V156 HydrophobicContact CD2-CG2 4.32Å; F152-V156 HydrophobicContact CE1-CG2 3.73Å; F152-V156 HydrophobicContact CE2-CG2 3.94Å; F152-V156 HydrophobicContact CG-CG2 4.39Å; F152-V156 HydrophobicContact CZ-CG2 3.6Å; F152-V156 WeakPolarHBondContact O-CG2 3.32Å; F152-V156 PolarHBondContact O-N 3.45Å; F152-L287 HydrophobicContact CE1-CB 4.21Å; F152-L287 HydrophobicContact CE1-CD2 4.22Å; F152-L287 WeakPolarHBondContact CE1-O 3.48Å; F152-E290 HydrophobicContact CE1-CB 4.36Å; F152-E290 HydrophobicContact CE2-CB 4.45Å; F152-E290 HydrophobicContact CZ-CB 3.61Å; F152-F291 HydrophobicContact CB-CD2 3.64Å; F152-F291 HydrophobicContact CB-CE2 4.26Å; F152-F291 HydrophobicContact CD1-CB 3.97Å; F152-F291 HydrophobicContact CD1-CD2 4.36Å; F152-F291 HydrophobicContact CD2-CB 4.28Å; F152-F291 HydrophobicContact CD2-CD2 4.15Å; F152-F291 HydrophobicContact CE1-CB 4.09Å; F152-F291 HydrophobicContact CE2-CB 4.38Å; F152-F291 HydrophobicContact CG-CB 4.09Å; F152-F291 AromaticContact CG-CD2 3.81Å; F152-F291 HydrophobicContact CG-CD2 3.81Å; F152-F291 HydrophobicContact CG-CG 4.45Å; F152-F291 HydrophobicContact CZ-CB 4.31Å
153Q90.8Very high89.5Confident51 Ų5174.2 Ų74.224%0.23836%0.361CS..Hα-helixtrans-57.1-38174.6-72.9177.7-47.200112.7F149 I155 V156 S157 L280F149-Q153 HydrophobicContact CD1-CG 4.23Å; F149-Q153 VanDerWaalsContact CE1-CD 3.49Å; F149-Q153 HydrophobicContact CE1-CG 4.01Å; F149-Q153 VanDerWaalsContact CE1-NE2 3.3Å; F149-Q153 HydrophobicContact CZ-CG 4.2Å; F149-Q153 WeakPolarHBondContact O-CG 3.31Å; F149-Q153 PolarHBondContact O-N 3.09Å; Q153-I155 VanDerWaalsContact C-N 3.3Å; Q153-I155 PolarHBondContact O-N 3.25Å; Q153-V156 PolarHBondContact O-N 3.28Å; Q153-S157 WeakPolarHBondContact O-CB 3.44Å; Q153-S157 PolarHBondContact O-N 2.7Å; Q153-S157 PolarHBondContact O-OG 2.91Å; Q153-L280 HydrophobicContact CB-CD1 4.16Å; Q153-L280 HydrophobicContact CG-CD1 4.44Å
154A91.1Very high89.6Confident44 Ų4476.7 Ų76.736%0.36436%0.361SS..Hα-helixtrans-74.3-14.1178.200000114.8K150 R151 F152 S157 R158K150-A154 WeakPolarHBondContact O-CB 3.23Å; K150-A154 PolarHBondContact O-N 2.65Å; K150-A154 VanDerWaalsContact O-N 3.09Å; R151-A154 PolarHBondContact O-N 2.88Å; F152-A154 VanDerWaalsContact C-N 3.27Å; F152-A154 PolarHBondContact O-N 3.37Å; A154-S157 PolarHBondContact O-OG 3.14Å; A154-R158 WeakPolarHBondContact O-CD 3.18Å; A154-R158 WeakPolarHBondContact O-CG 3.32Å; A154-R158 PolarHBondContact O-NE 3.38Å
155I91.1Very high89.7Confident7 Ų773.7 Ų73.74%0.03635%0.347CS..Hα-helixtrans-89.5-47.4169.3-62153.2000109.2I137 M140 N141 P146 R151 F152 Q153 S157 R158 L159I137-I155 HydrophobicContact CG2-CD1 4.5Å; I137-I155 HydrophobicContact CG2-CG2 4.02Å; M140-I155 HydrophobicContact CB-CG2 3.97Å; M140-I155 HydrophobicContact CE-CG2 4.46Å; N141-I155 HydrophobicContact CB-CD1 3.75Å; P146-I155 HydrophobicContact CB-CD1 3.84Å; P146-I155 HydrophobicContact CG-CD1 4.08Å; R151-I155 HydrophobicContact CG-CD1 4.17Å; R151-I155 WeakPolarHBondContact O-CD1 3.48Å; R151-I155 WeakPolarHBondContact O-CG1 3.44Å; R151-I155 PolarHBondContact O-N 3.01Å; R151-I155 VanDerWaalsContact O-N 3.14Å; F152-I155 PolarHBondContact O-N 3.2Å; Q153-I155 VanDerWaalsContact C-N 3.3Å; Q153-I155 PolarHBondContact O-N 3.25Å; I155-S157 VanDerWaalsContact C-N 3.27Å; I155-S157 PolarHBondContact O-N 2.68Å; I155-R158 WeakPolarHBondContact O-CA 3.45Å; I155-R158 WeakPolarHBondContact O-CB 3.46Å; I155-R158 PolarHBondContact O-N 2.54Å; I155-L159 PolarHBondContact O-N 3.37Å
156V89.9Confident89.7Confident4 Ų475.9 Ų75.92%0.02436%0.357CS..Hα-helixtrans-61.7-32.5179.9171.70000112.5Y132 F152 Q153 R158 L159 L287Y132-V156 HydrophobicContact CE1-CG1 4.36Å; Y132-V156 HydrophobicContact CE2-CG1 3.76Å; Y132-V156 WeakPolarHBondContact OH-CG1 3.29Å; F152-V156 HydrophobicContact CD1-CG2 4.13Å; F152-V156 HydrophobicContact CD2-CG2 4.32Å; F152-V156 HydrophobicContact CE1-CG2 3.73Å; F152-V156 HydrophobicContact CE2-CG2 3.94Å; F152-V156 HydrophobicContact CG-CG2 4.39Å; F152-V156 HydrophobicContact CZ-CG2 3.6Å; F152-V156 WeakPolarHBondContact O-CG2 3.32Å; F152-V156 PolarHBondContact O-N 3.45Å; Q153-V156 PolarHBondContact O-N 3.28Å; V156-R158 PolarHBondContact O-N 3.02Å; V156-L159 PolarHBondContact O-N 3.22Å; V156-L287 HydrophobicContact CG1-CD2 4.03Å
157S88.2Confident89.3Confident79 Ų7981 Ų8155%0.55239%0.388SS*.THydrogen-bonded Turntrans-69.4-12.5173.464.30000114.7Q153 A154 I155Q153-S157 WeakPolarHBondContact O-CB 3.44Å; Q153-S157 PolarHBondContact O-N 2.7Å; Q153-S157 PolarHBondContact O-OG 2.91Å; A154-S157 PolarHBondContact O-OG 3.14Å; I155-S157 VanDerWaalsContact C-N 3.27Å; I155-S157 PolarHBondContact O-N 2.68Å
158R89.3Confident88.9Confident198 Ų19881.1 Ų81.175%0.74739%0.394SS*.THydrogen-bonded Turntrans-103.1-8.8176.4-58.7175.8179.4-157.2-4.9113M140 A154 I155 V156M140-R158 HydrophobicContact CE-CB 4.16Å; A154-R158 WeakPolarHBondContact O-CD 3.18Å; A154-R158 WeakPolarHBondContact O-CG 3.32Å; A154-R158 PolarHBondContact O-NE 3.38Å; I155-R158 WeakPolarHBondContact O-CA 3.45Å; I155-R158 WeakPolarHBondContact O-CB 3.46Å; I155-R158 PolarHBondContact O-N 2.54Å; V156-R158 PolarHBondContact O-N 3.02Å
159L88.2Confident88.6Confident39 Ų3978.3 Ų78.320%0.20438%0.376CS..SBendtrans-81156.3176.8-82.7170.8000111.2Y132 R136 I137 M140 I155 V156Y132-L159 HydrophobicContact CD1-CB 4.38Å; Y132-L159 HydrophobicContact CD1-CD1 3.94Å; Y132-L159 HydrophobicContact CE1-CB 4.14Å; Y132-L159 HydrophobicContact CE1-CD1 4.37Å; R136-L159 HydrophobicContact CG-CD2 4.2Å; I137-L159 HydrophobicContact CD1-CD1 4.41Å; I137-L159 HydrophobicContact CG1-CD1 3.66Å; M140-L159 HydrophobicContact CE-CD2 4.48Å; M140-L159 HydrophobicContact SD-CD2 3.45Å; M140-L159 WeakPolarHBondContact SD-CD2 3.41Å; M140-L159 HydrophobicContact SD-CG 3.99Å; I155-L159 PolarHBondContact O-N 3.37Å; V156-L159 PolarHBondContact O-N 3.22Å
160E88.6Confident88.2Confident173 Ų17379 Ų7981%0.80839%0.385SS*.PPolyproline II helixtrans-57.5159.1162.8-67.9-178.4-170.900111Y132Y132-E160 WeakPolarHBondContact CE1-O 3.25Å
161L88.6Confident87.8Confident94 Ų9476.8 Ų76.849%0.49238%0.377SS..PPolyproline II helixtrans-64.1149.6178.6-62.3170.7000110.9R266L161-R266 VanDerWaalsContact CD1-NH1 3.26Å
162P89.2Confident87.3Confident3 Ų377.6 Ų77.62%0.01939%0.386CS..PPolyproline II helixtrans-49.9146.5171.8-27.336000111L131 Y132 R164 Y262 Y263L131-P162 HydrophobicContact CB-CB 4.16Å; L131-P162 HydrophobicContact CB-CG 4.03Å; L131-P162 HydrophobicContact CD2-CB 4.3Å; L131-P162 HydrophobicContact CD2-CG 4.42Å; Y132-P162 HydrophobicContact CE1-CG 4.01Å; Y132-P162 HydrophobicContact CE2-CG 4Å; P162-R164 PolarHBondContact O-N 3.42Å; P162-Y262 HydrophobicContact CB-CD1 4.41Å; P162-Y262 HydrophobicContact CB-CE1 4.39Å; P162-Y262 HydrophobicContact CG-CD1 4.1Å; P162-Y262 HydrophobicContact CG-CD2 4.43Å; P162-Y262 HydrophobicContact CG-CE1 3.79Å; P162-Y262 HydrophobicContact CG-CE2 4.14Å; P162-Y262 HydrophobicContact CG-CG 4.43Å; P162-Y263 WeakPolarHBondContact O-CE2 3.39Å; P162-Y263 PolarHBondContact O-OH 2.7Å
163R90.2Very high86.8Confident189 Ų18980.3 Ų80.371%0.71340%0.398SS*.PPolyproline II helixtrans-57.5136.7177-67.6-175177.2-175.6-0.9109.5R259R163-R259 WeakPolarHBondContact O-CD 3.49Å
164R91.3Very high86.3Confident173 Ų17378.1 Ų78.165%0.65339%0.388SS*.PPolyproline II helixtrans-56.9140.5173.2-78.8-177.3176.6-92.36.3109.3P162 Y263P162-R164 PolarHBondContact O-N 3.42Å; R164-Y263 HydrophobicContact CB-CE2 4.48Å; R164-Y263 HydrophobicContact CG-CE1 3.78Å; R164-Y263 HydrophobicContact CG-CE2 4.12Å
165P91.1Very high85.8Confident39 Ų3979.6 Ų79.625%0.25339%0.39SS..PPolyproline II helixtrans-62.7142.3174.627.8-35.1000110.3D14 R259 V260 Y263D14-P165 HydrophobicContact CB-CB 3.83Å; D14-P165 VanDerWaalsContact OD1-CA 3.26Å; D14-P165 WeakPolarHBondContact OD1-CA 3.41Å; P165-R259 HydrophobicContact CB-CB 4.32Å; P165-V260 HydrophobicContact CB-CG2 3.5Å; P165-V260 VanDerWaalsContact CB-CG2 3.5Å; P165-V260 HydrophobicContact CG-CG2 3.98Å; P165-Y263 VanDerWaalsContact CD-CD2 3.5Å
166L87.9Confident85.2Confident78 Ų7888.1 Ų88.141%0.40842%0.421SS..PPolyproline II helixtrans-74.9152.1174-63.1-178.1000111.4D14 P16 Q19D14-L166 PolarHBondContact OD1-N 2.75Å; P16-L166 HydrophobicContact CB-CD1 3.77Å; Q19-L166 HydrophobicContact CB-CD1 4.34Å; Q19-L166 HydrophobicContact CG-CD1 4.37Å
167T82.6Confident84.6Confident110 Ų11088.4 Ų88.468%0.67542%0.423SS*.PPolyproline II helixtrans-57.1144.7167.647.40000110.5
168P80.3Confident83.8Confident83 Ų8388.4 Ų88.454%0.53942%0.417SS..PPolyproline II helixtrans-55.6151.2171.7-23.333.5000112.1H13 S170H13-P168 HydrophobicContact CB-CG 4.13Å; P168-S170 PolarHBondContact O-N 2.74Å
169V82.2Confident82.8Confident14 Ų1479.9 Ų79.99%0.08539%0.391CS..PPolyproline II helixtrans-58.1129.5175.6173.90000110.3L18 L22 M174L18-V169 HydrophobicContact CD2-CG2 3.89Å; L18-V169 HydrophobicContact CG-CG2 4.09Å; L22-V169 HydrophobicContact CD1-CB 4.34Å; L22-V169 HydrophobicContact CD1-CG1 3.48Å; L22-V169 VanDerWaalsContact CD1-CG1 3.48Å; L22-V169 HydrophobicContact CD1-CG2 3.86Å; V169-M174 HydrophobicContact CG1-CG 3.57Å; V169-M174 HydrophobicContact CG1-SD 3.81Å
170S81.2Confident81.9Confident47 Ų4787.6 Ų87.633%0.32942%0.423SS..PPolyproline II helixtrans-84.4150178.971.90000112.8P168 Q172 Q173 M174P168-S170 PolarHBondContact O-N 2.74Å; S170-Q172 PolarHBondContact O-N 2.83Å; S170-Q172 VanDerWaalsContact O-N 3.16Å; S170-Q173 PolarHBondContact O-N 2.68Å; S170-Q173 WeakPolarHBondContact OG-CG 3.18Å; S170-Q173 PolarHBondContact OG-N 2.91Å; S170-Q173 PolarHBondContact OG-OE1 2.89Å; S170-M174 PolarHBondContact O-N 3.37Å
171Q79.8Confident81.2Confident68 Ų6883 Ų8332%0.31840%0.403SS..Hα-helixtrans-50.3-37.8169.7-170.672.850.100112.4K67 L68 N69 Q173 M174 N175K67-Q171 PolarHBondContact O-OE1 3.39Å; K67-Q171 VanDerWaalsContact O-OE1 3.06Å; L68-Q171 HydrophobicContact CD2-CB 4.48Å; N69-Q171 PolarHBondContact ND2-NE2 2.91Å; Q171-Q173 VanDerWaalsContact C-N 3.31Å; Q171-Q173 PolarHBondContact O-N 3.26Å; Q171-M174 PolarHBondContact O-N 3.18Å; Q171-N175 PolarHBondContact NE2-OD1 2.9Å; Q171-N175 VanDerWaalsContact O-CB 3.26Å; Q171-N175 WeakPolarHBondContact O-CB 3.39Å; Q171-N175 VanDerWaalsContact O-CG 3.24Å; Q171-N175 PolarHBondContact O-N 3.25Å; Q171-N175 PolarHBondContact O-OD1 3.03Å
172Q79.8Confident80.5Confident137 Ų13781.5 Ų81.564%0.6440%0.4SS*.Hα-helixtrans-69.2-27.3-178.8-66-172.3-0.300113.2S170 R176S170-Q172 PolarHBondContact O-N 2.83Å; S170-Q172 VanDerWaalsContact O-N 3.16Å; Q172-R176 VanDerWaalsContact O-CD 3.32Å; Q172-R176 WeakPolarHBondContact O-CD 3.31Å; Q172-R176 VanDerWaalsContact O-CG 3.26Å; Q172-R176 WeakPolarHBondContact O-CG 3.34Å; Q172-R176 PolarHBondContact O-NE 2.71Å
173Q80.9Confident79.6Confident56 Ų5689 Ų8926%0.26244%0.441SS..Hα-helixtrans-76.5-48.4172.7-71156.4-56.300109.9S170 Q171 N175 R176 C177S170-Q173 PolarHBondContact O-N 2.68Å; S170-Q173 WeakPolarHBondContact OG-CG 3.18Å; S170-Q173 PolarHBondContact OG-N 2.91Å; S170-Q173 PolarHBondContact OG-OE1 2.89Å; Q171-Q173 VanDerWaalsContact C-N 3.31Å; Q171-Q173 PolarHBondContact O-N 3.26Å; Q173-N175 PolarHBondContact O-N 2.85Å; Q173-R176 PolarHBondContact O-N 3.48Å; Q173-R176 VanDerWaalsContact O-N 3.14Å; Q173-C177 PolarHBondContact O-SG 3.26Å; Q173-C177 VanDerWaalsContact O-SG 3.38Å
174M81.3Confident78.9Confident6 Ų684.2 Ų84.23%0.0343%0.429CS..Hα-helixtrans-60.1-43.8178.5-66.1-67.1-65.100112.5L22 L65 L68 V169 S170 Q171 R176 C177 L178L22-M174 HydrophobicContact CD1-SD 4.09Å; L22-M174 HydrophobicContact CD2-SD 3.65Å; L22-M174 HydrophobicContact CG-SD 4.46Å; L65-M174 HydrophobicContact CD2-CE 4.1Å; L68-M174 HydrophobicContact CB-CB 4.24Å; L68-M174 HydrophobicContact CB-CE 4.31Å; L68-M174 HydrophobicContact CB-CG 4.02Å; L68-M174 HydrophobicContact CD1-CG 4.14Å; L68-M174 HydrophobicContact CD2-CG 4.42Å; L68-M174 HydrophobicContact CG-CG 4.43Å; V169-M174 HydrophobicContact CG1-CG 3.57Å; V169-M174 HydrophobicContact CG1-SD 3.81Å; S170-M174 PolarHBondContact O-N 3.37Å; Q171-M174 PolarHBondContact O-N 3.18Å; M174-R176 PolarHBondContact O-N 2.89Å; M174-R176 VanDerWaalsContact O-N 3.15Å; M174-C177 CarbonylContact O-C 3.51Å; M174-C177 PolarHBondContact O-N 3.18Å; M174-L178 WeakPolarHBondContact O-CD2 3.32Å
175N79.4Confident78.4Confident74 Ų7476 Ų7640%0.39640%0.398SS..THydrogen-bonded Turntrans-63.2-18.3178.6-773.9000114N69 Q171 Q173N69-N175 PolarHBondContact ND2-OD1 2.87Å; N69-N175 VanDerWaalsContact ND2-OD1 3.08Å; Q171-N175 PolarHBondContact NE2-OD1 2.9Å; Q171-N175 VanDerWaalsContact O-CB 3.26Å; Q171-N175 WeakPolarHBondContact O-CB 3.39Å; Q171-N175 VanDerWaalsContact O-CG 3.24Å; Q171-N175 PolarHBondContact O-N 3.25Å; Q171-N175 PolarHBondContact O-OD1 3.03Å; Q173-N175 PolarHBondContact O-N 2.85Å
176R78.7Confident77.7Confident186 Ų18678.4 Ų78.470%0.70241%0.409SS*.THydrogen-bonded Turntrans-84.9-15.3174-68.9168.6-168.6-173.34.1113Q172 Q173 M174Q172-R176 VanDerWaalsContact O-CD 3.32Å; Q172-R176 WeakPolarHBondContact O-CD 3.31Å; Q172-R176 VanDerWaalsContact O-CG 3.26Å; Q172-R176 WeakPolarHBondContact O-CG 3.34Å; Q172-R176 PolarHBondContact O-NE 2.71Å; Q173-R176 PolarHBondContact O-N 3.48Å; Q173-R176 VanDerWaalsContact O-N 3.14Å; M174-R176 PolarHBondContact O-N 2.89Å; M174-R176 VanDerWaalsContact O-N 3.15Å
177C77.9Confident77.1Confident10 Ų1081.9 Ų81.97%0.06842%0.423CS..SBendtrans-121.830.5-168.9-53.50000111.8L22 A25 D26 T27 V28 Q173 M174 G179L22-C177 HydrophobicContact CD2-CB 3.9Å; A25-C177 PolarHBondContact O-SG 2.83Å; D26-C177 CarbonylContact O-C 3.56Å; D26-C177 WeakPolarHBondContact O-CA 3.46Å; T27-C177 CarbonylContact C-O 3.45Å; T27-C177 WeakPolarHBondContact CA-O 3.42Å; V28-C177 HydrophobicContact CB-CB 4.32Å; V28-C177 HydrophobicContact CG2-CB 3.9Å; V28-C177 PolarHBondContact N-O 2.79Å; Q173-C177 PolarHBondContact O-SG 3.26Å; Q173-C177 VanDerWaalsContact O-SG 3.38Å; M174-C177 CarbonylContact O-C 3.51Å; M174-C177 PolarHBondContact O-N 3.18Å; C177-G179 PolarHBondContact O-N 2.93Å
178L72.3Confident76.8Confident79 Ų7981.7 Ų81.741%0.41442%0.417SS..BIsolated β-bridgetrans-76.1110.9-172.1-66.2175.2000111.9N69 M174N69-L178 HydrophobicContact CB-CD2 3.95Å; N69-L178 WeakPolarHBondContact O-CD2 3.47Å; M174-L178 WeakPolarHBondContact O-CD2 3.32Å
179G67Low77Confident20 Ų2079.1 Ų79.121%0.20640%0.397CS..PPolyproline II helixtrans-73.5145.516200000111.2C177 I181C177-G179 PolarHBondContact O-N 2.93Å; G179-I181 PolarHBondContact O-N 3.14Å
180K69.4Low77.1Confident200 Ų20080 Ų8087%0.8740%0.404SS*.PPolyproline II helixtrans-62.3120167.4-70.4-175.5177.1-177.30109.4
181I74.2Confident77.4Confident77 Ų7779.5 Ų79.540%0.39540%0.397SS..PPolyproline II helixtrans-82.4134.3165.2-60.7153.7000106.6R71 G179 H185R71-I181 HydrophobicContact CG-CD1 3.81Å; R71-I181 HydrophobicContact CG-CG1 4.22Å; R71-I181 HydrophobicContact CG-CG2 4.24Å; G179-I181 PolarHBondContact O-N 3.14Å; I181-H185 HydrophobicContact CG2-CB 3.91Å
182S74.6Confident77.6Confident62 Ų6276.3 Ų76.343%0.43438%0.382SS..PPolyproline II helixtrans-91.9150.9174.249.70000110.8N184 H185S182-N184 PolarHBondContact O-N 3.26Å; S182-H185 WeakPolarHBondContact O-CB 3.39Å; S182-H185 PolarHBondContact O-N 2.88Å
183D70.4Confident77.9Confident162 Ų16272.2 Ų72.287%0.86637%0.369SS*.THydrogen-bonded Turntrans-61.8-27.2-179-48.4-69.7000112.3H185D183-H185 PolarHBondContact O-N 3.28Å
184N75.3Confident77.8Confident87 Ų8770.4 Ų70.447%0.46536%0.361SS..THydrogen-bonded Turntrans-78.64.9175.3-623.4000113.8S182 D186 Q187 L188S182-N184 PolarHBondContact O-N 3.26Å; N184-D186 VanDerWaalsContact C-N 3.32Å; N184-D186 PolarHBondContact O-N 2.98Å; N184-Q187 WeakPolarHBondContact O-CB 3.34Å; N184-Q187 PolarHBondContact O-N 2.98Å; N184-L188 HydrophobicContact CB-CD1 4.43Å; N184-L188 PolarHBondContact O-N 2.95Å
185H80.1Confident77.8Confident2 Ų276.3 Ų76.31%0.00939%0.388CS..Hα-helixtrans-55.3-44.3-176.4171.592.8000112.5R71 L72 F73 I181 S182 D183 Q187 L188 Y189R71-H185 VanDerWaalsContact CB-CE1 3.49Å; R71-H185 WeakPolarHBondContact CB-CE1 3.48Å; R71-H185 WeakPolarHBondContact CB-NE2 3.25Å; R71-H185 VanDerWaalsContact CZ-CD2 3.49Å; R71-H185 PolarHBondContact NH1-CD2 3.23Å; R71-H185 VanDerWaalsContact NH1-CD2 3.34Å; L72-H185 PolarHBondContact O-CE1 3.38Å; L72-H185 PolarHBondContact O-NE2 3.5Å; F73-H185 AromaticContact CD1-CE1 3.88Å; F73-H185 AromaticContact CD1-ND1 3.85Å; F73-H185 AromaticContact CE1-CE1 3.91Å; F73-H185 AromaticContact CE1-ND1 3.53Å; F73-H185 AromaticContact CG-CE1 3.97Å; F73-H185 AromaticContact CZ-ND1 3.8Å; I181-H185 HydrophobicContact CG2-CB 3.91Å; S182-H185 WeakPolarHBondContact O-CB 3.39Å; S182-H185 PolarHBondContact O-N 2.88Å; D183-H185 PolarHBondContact O-N 3.28Å; H185-Q187 PolarHBondContact O-N 3.1Å; H185-L188 PolarHBondContact O-N 3Å; H185-Y189 AromaticContact ND1-CD2 3.69Å; H185-Y189 PolarHBondContact O-N 2.65Å
186D77.3Confident77.8Confident88 Ų8877.7 Ų77.747%0.47139%0.392SS..Hα-helixtrans-72.4-8.6-180-66-54.1000113.7R71 N184 S190R71-D186 IonicContact CZ-OD1 2.85Å; R71-D186 VanDerWaalsContact CZ-OD1 3.24Å; R71-D186 IonicContact NH1-OD1 2.65Å; R71-D186 PolarHBondContact NH1-OD1 3.07Å; R71-D186 IonicContact NH1-OD2 2.71Å; R71-D186 PolarHBondContact NH1-OD2 3.43Å; R71-D186 IonicContact NH2-OD1 3.41Å; R71-D186 PolarHBondContact NH2-OD1 2.83Å; N184-D186 VanDerWaalsContact C-N 3.32Å; N184-D186 PolarHBondContact O-N 2.98Å; D186-S190 WeakPolarHBondContact O-CB 3.14Å; D186-S190 PolarHBondContact O-OG 3.34Å
187Q74.1Confident77.7Confident152 Ų15270.3 Ų70.371%0.7137%0.367SS*.Hα-helixtrans-90.9-29.8170.5-60.3178.52.800112.7N184 H185N184-Q187 WeakPolarHBondContact O-CB 3.34Å; N184-Q187 PolarHBondContact O-N 2.98Å; H185-Q187 PolarHBondContact O-N 3.1Å
188L76.9Confident77.5Confident106 Ų10672 Ų7256%0.55539%0.385SS*.Hα-helixtrans-101.6-30-172.2-66.3174.6000113.9N184 H185N184-L188 HydrophobicContact CB-CD1 4.43Å; N184-L188 PolarHBondContact O-N 2.95Å; H185-L188 PolarHBondContact O-N 3Å
189Y84.4Confident77.7Confident28 Ų2868.5 Ų68.511%0.1137%0.367CS..SBendtrans-132.716.9-168.3-51.5-67.4000114.1F73 V74 V75 E89 W90 H185F73-Y189 HydrophobicContact CB-CD1 4.43Å; F73-Y189 HydrophobicContact CB-CG 4.36Å; F73-Y189 HydrophobicContact CD1-CD1 4.13Å; F73-Y189 AromaticContact CD1-CD2 3.56Å; F73-Y189 HydrophobicContact CD1-CD2 3.56Å; F73-Y189 HydrophobicContact CD1-CE1 4.36Å; F73-Y189 AromaticContact CD1-CE2 3.82Å; F73-Y189 HydrophobicContact CD1-CE2 3.82Å; F73-Y189 AromaticContact CD1-CG 3.72Å; F73-Y189 HydrophobicContact CD1-CG 3.72Å; F73-Y189 AromaticContact CE1-CD2 3.94Å; F73-Y189 HydrophobicContact CE1-CD2 3.94Å; F73-Y189 AromaticContact CE1-CE2 4Å; F73-Y189 HydrophobicContact CE1-CE2 4Å; F73-Y189 HydrophobicContact CG-CG 4.44Å; V74-Y189 WeakPolarHBondContact CB-O 3.4Å; V74-Y189 PolarHBondContact N-O 3.01Å; V74-Y189 WeakPolarHBondContact O-CA 3.46Å; V75-Y189 HydrophobicContact CG2-CD1 3.99Å; V75-Y189 HydrophobicContact CG2-CE1 4.19Å; E89-Y189 PolarHBondContact OE1-OH 3.28Å; W90-Y189 HydrophobicContact CZ2-CE1 4.11Å; W90-Y189 AromaticContact CZ2-CZ 3.93Å; H185-Y189 AromaticContact ND1-CD2 3.69Å; H185-Y189 PolarHBondContact O-N 2.65Å
190S84.9Confident77.8Confident34 Ų3477.5 Ų77.524%0.23840%0.395CS..PPolyproline II helixtrans-67.2142179.435.80000113R76 D186R76-S190 PolarHBondContact NH2-O 3.4Å; D186-S190 WeakPolarHBondContact O-CB 3.14Å; D186-S190 PolarHBondContact O-OG 3.34Å
191I85.7Confident77.9Confident35 Ų3570 Ų7018%0.17937%0.366CS..PPolyproline II helixtrans-61120.7169.4-59.3155.4000107.4L55 L58 E59 D62 V74L55-I191 HydrophobicContact CB-CG2 4.48Å; L55-I191 HydrophobicContact CD2-CG2 3.78Å; L58-I191 HydrophobicContact CB-CD1 4.2Å; L58-I191 HydrophobicContact CB-CG1 4.16Å; L58-I191 HydrophobicContact CB-CG2 4.33Å; E59-I191 HydrophobicContact CB-CD1 4.36Å; E59-I191 HydrophobicContact CG-CD1 3.89Å; E59-I191 HydrophobicContact CG-CG2 4.32Å; D62-I191 HydrophobicContact CB-CD1 4.01Å; V74-I191 HydrophobicContact CG2-CB 4.43Å; V74-I191 HydrophobicContact CG2-CG1 3.62Å
192P85.9Confident77.5Confident2 Ų270.9 Ų70.91%0.01338%0.384CS..PPolyproline II helixtrans-69.9140.7179.827.5-32.7000110.8L34 L55 E196 L197L34-P192 HydrophobicContact CD1-CG 3.67Å; L55-P192 VanDerWaalsContact CD1-O 3.31Å; L55-P192 WeakPolarHBondContact CD1-O 3.24Å; L55-P192 HydrophobicContact CD2-CG 4.18Å; L55-P192 VanDerWaalsContact CD2-O 3.3Å; L55-P192 WeakPolarHBondContact CD2-O 3.36Å; P192-E196 HydrophobicContact CB-CB 4.08Å; P192-L197 HydrophobicContact CB-CD2 4.1Å; P192-L197 HydrophobicContact CB-CG 4.19Å; P192-L197 HydrophobicContact CG-CD1 4.37Å; P192-L197 HydrophobicContact CG-CD2 3.94Å; P192-L197 HydrophobicContact CG-CG 4.2Å
193S84.1Confident77.1Confident50 Ų5071.9 Ų71.935%0.3540%0.404SS..PPolyproline II helixtrans-62.816016660.30000112E195 E196 L197S193-E195 PolarHBondContact O-N 3.13Å; S193-E196 WeakPolarHBondContact CB-OE1 3.3Å; S193-E196 PolarHBondContact N-OE1 2.75Å; S193-E196 PolarHBondContact O-N 3.3Å; S193-E196 WeakPolarHBondContact OG-CG 3.28Å; S193-E196 PolarHBondContact OG-N 3.19Å; S193-E196 VanDerWaalsContact OG-N 3.15Å; S193-E196 PolarHBondContact OG-OE1 3.31Å; S193-L197 PolarHBondContact O-N 3.36Å
194L80.6Confident77.1Confident19 Ų1966.5 Ų66.510%0.09938%0.375CS..THydrogen-bonded Turntrans-57.2-29.5170.6-78.7178.8000112.6W51 R52 L55 L197 G198 F199 T201 L204W51-L194 HydrophobicContact CB-CD2 4.16Å; R52-L194 HydrophobicContact CB-CD1 4.04Å; R52-L194 HydrophobicContact CB-CD2 4.33Å; R52-L194 HydrophobicContact CG-CD1 3.82Å; R52-L194 HydrophobicContact CG-CG 4.45Å; L55-L194 HydrophobicContact CD1-CD2 3.83Å; L55-L194 HydrophobicContact CD1-CG 4.03Å; L194-L197 CarbonylContact O-C 3.39Å; L194-L197 PolarHBondContact O-N 3.28Å; L194-G198 PolarHBondContact O-N 3.03Å; L194-F199 HydrophobicContact CB-CB 4.33Å; L194-F199 HydrophobicContact CD2-CB 4.49Å; L194-F199 HydrophobicContact CD2-CD2 3.78Å; L194-F199 HydrophobicContact CD2-CG 4.43Å; L194-F199 WeakPolarHBondContact O-CB 3.31Å; L194-F199 PolarHBondContact O-N 2.97Å; L194-T201 HydrophobicContact CB-CG2 3.86Å; L194-T201 HydrophobicContact CD1-CG2 4.3Å; L194-L204 HydrophobicContact CD1-CD1 4.38Å
195E80.8Confident77.1Confident129 Ų12965.9 Ų65.960%0.60338%0.376SS*.THydrogen-bonded Turntrans-77.1-38.8-177.6-61-179.4-169.800111.4S193 L197 G198 T201S193-E195 PolarHBondContact O-N 3.13Å; E195-L197 PolarHBondContact O-N 3.5Å; E195-G198 WeakPolarHBondContact O-CA 3.46Å; E195-G198 PolarHBondContact O-N 2.9Å; E195-T201 HydrophobicContact CG-CG2 3.47Å; E195-T201 VanDerWaalsContact CG-CG2 3.47Å; E195-T201 WeakPolarHBondContact OE1-CB 3.38Å; E195-T201 WeakPolarHBondContact OE1-CG2 3.35Å; E195-T201 PolarHBondContact OE1-OG1 2.99Å
196E79.6Confident77Confident104 Ų10471.4 Ų71.449%0.48641%0.412SS..THydrogen-bonded Turntrans-59.5-33.6167.4-80.2164.8-92.800112.8R76 P192 S193 G198R76-E196 IonicContact CZ-OE2 3.38Å; R76-E196 IonicContact NH1-OE2 3.78Å; R76-E196 PolarHBondContact NH1-OE2 2.83Å; R76-E196 VanDerWaalsContact NH1-OE2 3.08Å; R76-E196 IonicContact NH2-OE2 3.69Å; R76-E196 PolarHBondContact NH2-OE2 3.42Å; P192-E196 HydrophobicContact CB-CB 4.08Å; S193-E196 WeakPolarHBondContact CB-OE1 3.3Å; S193-E196 PolarHBondContact N-OE1 2.75Å; S193-E196 PolarHBondContact O-N 3.3Å; S193-E196 WeakPolarHBondContact OG-CG 3.28Å; S193-E196 PolarHBondContact OG-N 3.19Å; S193-E196 VanDerWaalsContact OG-N 3.15Å; S193-E196 PolarHBondContact OG-OE1 3.31Å; E196-G198 PolarHBondContact O-N 2.89Å
197L76.1Confident77.2Confident30 Ų3068.6 Ų68.616%0.15740%0.401CS..THydrogen-bonded Turntrans-79.85.3173.8-60.7-177.6000113.2L34 W51 L55 P192 S193 L194 E195 F199L34-L197 HydrophobicContact CD2-CD2 4.18Å; W51-L197 HydrophobicContact CD2-CD1 4.29Å; W51-L197 HydrophobicContact CE3-CD1 3.73Å; W51-L197 HydrophobicContact CZ3-CD1 4.09Å; L55-L197 HydrophobicContact CD1-CD1 4.08Å; L55-L197 HydrophobicContact CD2-CD1 4.41Å; P192-L197 HydrophobicContact CB-CD2 4.1Å; P192-L197 HydrophobicContact CB-CG 4.19Å; P192-L197 HydrophobicContact CG-CD1 4.37Å; P192-L197 HydrophobicContact CG-CD2 3.94Å; P192-L197 HydrophobicContact CG-CG 4.2Å; S193-L197 PolarHBondContact O-N 3.36Å; L194-L197 CarbonylContact O-C 3.39Å; L194-L197 PolarHBondContact O-N 3.28Å; E195-L197 PolarHBondContact O-N 3.5Å; L197-F199 VanDerWaalsContact C-N 3.33Å; L197-F199 HydrophobicContact CB-CD2 3.72Å; L197-F199 HydrophobicContact CB-CE2 3.71Å; L197-F199 HydrophobicContact CD1-CE2 4.23Å; L197-F199 PolarHBondContact O-N 3.16Å
198G74.8Confident77.8Confident45 Ų4564.3 Ų64.346%0.46439%0.385SS..THydrogen-bonded Turntrans79.25.6176.700000115.5L194 E195 E196L194-G198 PolarHBondContact O-N 3.03Å; E195-G198 WeakPolarHBondContact O-CA 3.46Å; E195-G198 PolarHBondContact O-N 2.9Å; E196-G198 PolarHBondContact O-N 2.89Å
199F75Confident78.4Confident6 Ų659.5 Ų59.53%0.02636%0.36CS..  trans-80128178.8-61.4-67.1000111.6V44 W51 L194 L197 T201V44-F199 HydrophobicContact CG1-CD1 4.38Å; W51-F199 HydrophobicContact CB-CE2 3.92Å; W51-F199 HydrophobicContact CB-CZ 4.38Å; W51-F199 AromaticContact CD1-CE2 3.62Å; W51-F199 AromaticContact CD1-CZ 3.28Å; W51-F199 HydrophobicContact CD2-CE2 4.2Å; W51-F199 HydrophobicContact CD2-CZ 4.47Å; W51-F199 AromaticContact CG-CE2 3.64Å; W51-F199 HydrophobicContact CG-CE2 3.64Å; W51-F199 AromaticContact CG-CZ 3.82Å; W51-F199 HydrophobicContact CG-CZ 3.82Å; W51-F199 AromaticContact NE1-CZ 3.68Å; L194-F199 HydrophobicContact CB-CB 4.33Å; L194-F199 HydrophobicContact CD2-CB 4.49Å; L194-F199 HydrophobicContact CD2-CD2 3.78Å; L194-F199 HydrophobicContact CD2-CG 4.43Å; L194-F199 WeakPolarHBondContact O-CB 3.31Å; L194-F199 PolarHBondContact O-N 2.97Å; L197-F199 VanDerWaalsContact C-N 3.33Å; L197-F199 HydrophobicContact CB-CD2 3.72Å; L197-F199 HydrophobicContact CB-CE2 3.71Å; L197-F199 HydrophobicContact CD1-CE2 4.23Å; L197-F199 PolarHBondContact O-N 3.16Å; F199-T201 PolarHBondContact O-N 3.13Å
200R69.9Low78.8Confident209 Ų20965 Ų6579%0.78938%0.38SS*.  trans-65.7118.5171.4-62.3-177.4-177.1-176.80.6110.3R48R48-R200 PolarHBondContact NE-O 3.41Å; R48-R200 PolarHBondContact NH2-O 3.14Å
201T71Confident79.2Confident44 Ų4463.7 Ų63.727%0.2737%0.373SS..  trans-95.4-21.3-179.146.80000114.3L194 E195 F199 G203 L204L194-T201 HydrophobicContact CB-CG2 3.86Å; L194-T201 HydrophobicContact CD1-CG2 4.3Å; E195-T201 HydrophobicContact CG-CG2 3.47Å; E195-T201 VanDerWaalsContact CG-CG2 3.47Å; E195-T201 WeakPolarHBondContact OE1-CB 3.38Å; E195-T201 WeakPolarHBondContact OE1-CG2 3.35Å; E195-T201 PolarHBondContact OE1-OG1 2.99Å; F199-T201 PolarHBondContact O-N 3.13Å; T201-G203 PolarHBondContact O-N 3.45Å; T201-L204 HydrophobicContact CG2-CD1 4.42Å; T201-L204 WeakPolarHBondContact O-CB 3.44Å; T201-L204 VanDerWaalsContact O-CG 3.26Å; T201-L204 WeakPolarHBondContact O-CG 3.49Å; T201-L204 PolarHBondContact O-N 3.09Å
202A66.4Low79.6Confident94 Ų9462 Ų6278%0.77736%0.364SS*.THydrogen-bonded Turntrans-55.7126.9-179.500000111.9
203G65.9Low80Confident83 Ų8362.7 Ų62.786%0.85637%0.367SS*.THydrogen-bonded Turntrans78.513.2178.400000116T201T201-G203 PolarHBondContact O-N 3.45Å
204L70.5Confident80.5Confident49 Ų4963 Ų6326%0.25737%0.369SS..PPolyproline II helixtrans-71.8131178.6-72.7178.3000113.5W49 L194 T201W49-L204 HydrophobicContact CH2-CD2 4.24Å; L194-L204 HydrophobicContact CD1-CD1 4.38Å; T201-L204 HydrophobicContact CG2-CD1 4.42Å; T201-L204 WeakPolarHBondContact O-CB 3.44Å; T201-L204 VanDerWaalsContact O-CG 3.26Å; T201-L204 WeakPolarHBondContact O-CG 3.49Å; T201-L204 PolarHBondContact O-N 3.09Å
205P74.3Confident81.2Confident74 Ų7463.1 Ų63.148%0.48137%0.369SS..PPolyproline II helixtrans-72157.117030.7-35000111.9W49 R52W49-P205 HydrophobicContact CH2-CG 3.99Å; R52-P205 PolarHBondContact NH1-O 2.9Å
206P79.6Confident81.8Confident119 Ų11957 Ų5777%0.77334%0.34SS*.PPolyproline II helixtrans-55.1159.5174.3-26.735.6000114.1V208P206-V208 PolarHBondContact O-N 3.44Å
207A80.9Confident82.5Confident28 Ų2855.2 Ų55.223%0.23133%0.334CS..  trans-72.2110.5-178.200000113.4R52 W209 R210R52-A207 VanDerWaalsContact NH2-CA 3.27Å; R52-A207 VanDerWaalsContact NH2-CB 3.25Å; A207-W209 VanDerWaalsContact C-N 3.27Å; A207-R210 HydrophobicContact CB-CG 3.6Å
208V87.1Confident83.3Confident62 Ų6257.2 Ų57.238%0.37635%0.345SS..SBendtrans-63.5-38.2165.2-175.80000110.7P206 R219 A242 E346P206-V208 PolarHBondContact O-N 3.44Å; V208-R219 PolarHBondContact O-NH2 2.58Å; V208-A242 HydrophobicContact CG1-CB 3.42Å; V208-A242 VanDerWaalsContact CG1-CB 3.42Å; V208-E346 HydrophobicContact CG2-CG 4.19Å
209W89.3Confident84.1Confident6 Ų655.9 Ų55.92%0.02333%0.326CS..SBendtrans-118.3106.8172.4-55.791.3000107.8F53 A207 R219 A242 P249 Y250 W348 L382F53-W209 HydrophobicContact CD2-CB 4.17Å; F53-W209 HydrophobicContact CE2-CB 4.23Å; A207-W209 VanDerWaalsContact C-N 3.27Å; W209-R219 VanDerWaalsContact CZ3-NH1 3.28Å; W209-A242 HydrophobicContact CZ2-CB 3.57Å; W209-P249 HydrophobicContact CD2-CG 4.19Å; W209-P249 HydrophobicContact CE3-CG 3.81Å; W209-P249 HydrophobicContact CZ3-CG 4.2Å; W209-Y250 HydrophobicContact CE3-CE2 4.13Å; W209-Y250 HydrophobicContact CZ3-CE2 4.38Å; W209-W348 AromaticContact CE2-CG 3.94Å; W209-W348 HydrophobicContact CH2-CD2 4.26Å; W209-W348 HydrophobicContact CH2-CG 4.3Å; W209-W348 HydrophobicContact CZ2-CB 3.85Å; W209-W348 AromaticContact CZ2-CD2 3.59Å; W209-W348 HydrophobicContact CZ2-CD2 3.59Å; W209-W348 AromaticContact CZ2-CE3 3.94Å; W209-W348 HydrophobicContact CZ2-CE3 3.94Å; W209-W348 AromaticContact CZ2-CG 3.55Å; W209-W348 HydrophobicContact CZ2-CG 3.55Å; W209-L382 HydrophobicContact CB-CD1 3.68Å; W209-L382 HydrophobicContact CG-CD1 3.8Å
210R91.9Very high84.9Confident142 Ų14255.9 Ų55.954%0.53633%0.326SS..  trans-84.2140.8169.2-74.1-171.7-65.2-142.62.5109.3F53 E56 A207 E215 Y250F53-R210 VanDerWaalsContact CE2-O 3.25Å; F53-R210 WeakPolarHBondContact CE2-O 3.48Å; E56-R210 VanDerWaalsContact OE2-CA 3.25Å; E56-R210 WeakPolarHBondContact OE2-CA 3.48Å; A207-R210 HydrophobicContact CB-CG 3.6Å; R210-E215 HydrophobicContact CB-CG 4.24Å; R210-E215 IonicContact CZ-OE2 3.98Å; R210-E215 IonicContact NE-OE2 3.54Å; R210-E215 PolarHBondContact NE-OE2 2.83Å; R210-E215 IonicContact NH2-OE2 3.6Å; R210-E215 PolarHBondContact NH2-OE2 3.29Å; R210-Y250 WeakPolarHBondContact O-CE1 3.38Å; R210-Y250 PolarHBondContact O-OH 3.36Å
211G92.9Very high85.8Confident8 Ų849 Ų498%0.08231%0.31CS..  trans-66.8179.7170.800000113.8E56 S57E56-G211 PolarHBondContact OE2-N 3.34Å; S57-G211 WeakPolarHBondContact OG-CA 3.06Å
212G94.9Very high86.6Confident0 Ų050.7 Ų50.70%031%0.311CS..SBendtrans103.4155.4170.400000116S57 D60 A216S57-G212 PolarHBondContact OG-N 2.75Å; D60-G212 VanDerWaalsContact OD2-CA 3.29Å; D60-G212 WeakPolarHBondContact OD2-CA 3.37Å; G212-A216 WeakPolarHBondContact O-CB 3.37Å; G212-A216 PolarHBondContact O-N 2.82Å
213E95.4Very high87.4Confident15 Ų1549.4 Ų49.47%0.0729%0.287CS..Hα-helixtrans-68.3-37.3168.9173.5175-158.200111.1R11 L12 H13 D60 A216 L217R11-E213 VanDerWaalsContact CA-OE2 3.3Å; R11-E213 WeakPolarHBondContact CA-OE2 3.45Å; R11-E213 HydrophobicContact CB-CB 4.4Å; R11-E213 HydrophobicContact CB-CG 4.19Å; L12-E213 VanDerWaalsContact N-CD 3.3Å; L12-E213 PolarHBondContact N-OE1 2.8Å; L12-E213 VanDerWaalsContact N-OE1 3.17Å; L12-E213 PolarHBondContact N-OE2 3.39Å; H13-E213 WeakPolarHBondContact CB-OE1 3.41Å; H13-E213 IonicContact CE1-OE1 2.81Å; H13-E213 IonicContact CG-OE1 3.56Å; H13-E213 PolarHBondContact N-OE1 3.33Å; H13-E213 IonicContact ND1-OE1 3.89Å; H13-E213 PolarHBondContact ND1-OE1 2.92Å; D60-E213 WeakPolarHBondContact OD2-CA 3.3Å; D60-E213 PolarHBondContact OD2-N 2.93Å; E213-A216 WeakPolarHBondContact O-CB 3.16Å; E213-A216 PolarHBondContact O-N 3.26Å; E213-L217 HydrophobicContact CG-CD1 3.86Å; E213-L217 HydrophobicContact CG-CG 4.3Å; E213-L217 WeakPolarHBondContact O-CB 3.41Å; E213-L217 WeakPolarHBondContact O-CG 3Å; E213-L217 PolarHBondContact O-N 3.25Å
214S94.3Very high88.1Confident56 Ų5646.7 Ų46.739%0.39225%0.253SS..Hα-helixtrans-61.9-50.6-179.9-62.60000112.5D60 A216 L217 D218D60-S214 VanDerWaalsContact OD1-CB 3.24Å; D60-S214 WeakPolarHBondContact OD1-CB 3.44Å; D60-S214 PolarHBondContact OD1-OG 3.34Å; D60-S214 PolarHBondContact OD2-N 3.34Å; D60-S214 PolarHBondContact OD2-OG 2.86Å; S214-A216 VanDerWaalsContact C-N 3.33Å; S214-L217 PolarHBondContact O-N 3.48Å; S214-D218 WeakPolarHBondContact O-CB 3.43Å; S214-D218 PolarHBondContact O-N 3.35Å
215E94.5Very high88.5Confident22 Ų2247.7 Ų47.710%0.10326%0.259CS..Hα-helixtrans-67.4-34.2175178.383.6-13700110.8R210 D218 R219 R222 Y250R210-E215 HydrophobicContact CB-CG 4.24Å; R210-E215 IonicContact CZ-OE2 3.98Å; R210-E215 IonicContact NE-OE2 3.54Å; R210-E215 PolarHBondContact NE-OE2 2.83Å; R210-E215 IonicContact NH2-OE2 3.6Å; R210-E215 PolarHBondContact NH2-OE2 3.29Å; E215-D218 PolarHBondContact O-N 2.8Å; E215-R219 HydrophobicContact CG-CG 4.2Å; E215-R219 VanDerWaalsContact O-CB 3.3Å; E215-R219 WeakPolarHBondContact O-CB 3.42Å; E215-R219 VanDerWaalsContact O-CG 3.27Å; E215-R219 WeakPolarHBondContact O-CG 3.14Å; E215-R219 PolarHBondContact O-N 2.98Å; E215-R219 WeakPolarHBondContact OE1-CG 3.21Å; E215-R219 IonicContact OE1-CZ 2.68Å; E215-R219 IonicContact OE1-NE 3.69Å; E215-R219 PolarHBondContact OE1-NE 3.02Å; E215-R219 IonicContact OE1-NH2 2.74Å; E215-R222 IonicContact OE1-CZ 2.69Å; E215-R222 IonicContact OE1-NH2 3.81Å; E215-R222 PolarHBondContact OE1-NH2 2.79Å; E215-Y250 HydrophobicContact CB-CE1 4.33Å; E215-Y250 HydrophobicContact CG-CE1 4.11Å; E215-Y250 WeakPolarHBondContact CG-OH 3.17Å
216A94.1Very high87.8Confident0 Ų050.6 Ų50.60%026%0.263CS..Hα-helixtrans-61-46.1175.700000112.9G212 E213 S214 L220 Y250 C255 L256G212-A216 WeakPolarHBondContact O-CB 3.37Å; G212-A216 PolarHBondContact O-N 2.82Å; E213-A216 WeakPolarHBondContact O-CB 3.16Å; E213-A216 PolarHBondContact O-N 3.26Å; S214-A216 VanDerWaalsContact C-N 3.33Å; A216-L220 VanDerWaalsContact O-CB 3.23Å; A216-L220 WeakPolarHBondContact O-CB 3.49Å; A216-L220 PolarHBondContact O-N 2.69Å; A216-Y250 HydrophobicContact CB-CD1 3.47Å; A216-Y250 VanDerWaalsContact CB-CD1 3.47Å; A216-Y250 HydrophobicContact CB-CE1 4.28Å; A216-Y250 HydrophobicContact CB-CG 3.69Å; A216-C255 HydrophobicContact CB-CB 4.2Å; A216-L256 HydrophobicContact CB-CB 4.19Å
217L93.2Very high86.6Confident67 Ų6750.6 Ų50.635%0.35126%0.257SS..Hα-helixtrans-71.6-36.7179.2-71175000111.9E213 S214 L220 S221E213-L217 HydrophobicContact CG-CD1 3.86Å; E213-L217 HydrophobicContact CG-CG 4.3Å; E213-L217 WeakPolarHBondContact O-CB 3.41Å; E213-L217 WeakPolarHBondContact O-CG 3Å; E213-L217 PolarHBondContact O-N 3.25Å; S214-L217 PolarHBondContact O-N 3.48Å; L217-L220 HydrophobicContact CD2-CD2 4.32Å; L217-L220 WeakPolarHBondContact O-CB 3.38Å; L217-L220 PolarHBondContact O-N 2.78Å; L217-S221 PolarHBondContact O-N 2.97Å
218D93.3Very high85.5Confident73 Ų7351.3 Ų51.339%0.3926%0.258SS..Hα-helixtrans-68.6-45.8174.8-177.349.9000111.9S214 E215 L220 S221 R222S214-D218 WeakPolarHBondContact O-CB 3.43Å; S214-D218 PolarHBondContact O-N 3.35Å; E215-D218 PolarHBondContact O-N 2.8Å; D218-L220 VanDerWaalsContact C-N 3.27Å; D218-L220 PolarHBondContact O-N 3.18Å; D218-S221 WeakPolarHBondContact O-CA 3.24Å; D218-S221 WeakPolarHBondContact O-CB 3.26Å; D218-S221 PolarHBondContact O-N 3.36Å; D218-S221 PolarHBondContact O-OG 3.46Å; D218-R222 WeakPolarHBondContact O-CG 3.4Å; D218-R222 PolarHBondContact O-N 2.79Å; D218-R222 IonicContact OD1-NE 3.22Å; D218-R222 IonicContact OD2-CZ 3.77Å; D218-R222 IonicContact OD2-NE 3.84Å; D218-R222 PolarHBondContact OD2-NE 2.78Å; D218-R222 IonicContact OD2-NH2 3.39Å; D218-R222 PolarHBondContact OD2-NH2 2.82Å
219R92Very high84.2Confident17 Ų1750.1 Ų50.16%0.06425%0.247CC..Hα-helixtrans-60.7-36.2172.6-72.1-169.1-177.6-151.74112.4V208 W209 E215 R222 Y223 P244 L247 Y250V208-R219 PolarHBondContact O-NH2 2.58Å; W209-R219 VanDerWaalsContact CZ3-NH1 3.28Å; E215-R219 HydrophobicContact CG-CG 4.2Å; E215-R219 VanDerWaalsContact O-CB 3.3Å; E215-R219 WeakPolarHBondContact O-CB 3.42Å; E215-R219 VanDerWaalsContact O-CG 3.27Å; E215-R219 WeakPolarHBondContact O-CG 3.14Å; E215-R219 PolarHBondContact O-N 2.98Å; E215-R219 WeakPolarHBondContact OE1-CG 3.21Å; E215-R219 IonicContact OE1-CZ 2.68Å; E215-R219 IonicContact OE1-NE 3.69Å; E215-R219 PolarHBondContact OE1-NE 3.02Å; E215-R219 IonicContact OE1-NH2 2.74Å; R219-R222 PolarHBondContact O-N 2.93Å; R219-Y223 VanDerWaalsContact O-CB 3.28Å; R219-Y223 WeakPolarHBondContact O-CB 3.35Å; R219-Y223 PolarHBondContact O-N 3.28Å; R219-P244 WeakPolarHBondContact CG-O 3.45Å; R219-L247 HydrophobicContact CB-CD2 3.92Å; R219-Y250 WeakPolarHBondContact CD-OH 3.46Å; R219-Y250 VanDerWaalsContact CZ-OH 3.25Å; R219-Y250 PolarHBondContact NE-OH 3.46Å; R219-Y250 VanDerWaalsContact NE-OH 3.14Å
220L90.5Very high82.4Confident6 Ų652.1 Ų52.13%0.03126%0.26CS..Hα-helixtrans-61.8-45.3171.3177.868.8000110.8A216 L217 D218 R222 Y223 L224 L247 L256 V260 L261A216-L220 VanDerWaalsContact O-CB 3.23Å; A216-L220 WeakPolarHBondContact O-CB 3.49Å; A216-L220 PolarHBondContact O-N 2.69Å; L217-L220 HydrophobicContact CD2-CD2 4.32Å; L217-L220 WeakPolarHBondContact O-CB 3.38Å; L217-L220 PolarHBondContact O-N 2.78Å; D218-L220 VanDerWaalsContact C-N 3.27Å; D218-L220 PolarHBondContact O-N 3.18Å; L220-R222 VanDerWaalsContact C-N 3.34Å; L220-R222 PolarHBondContact O-N 3.23Å; L220-Y223 PolarHBondContact O-N 2.92Å; L220-L224 HydrophobicContact CD1-CD1 3.75Å; L220-L224 HydrophobicContact CD1-CD2 4.48Å; L220-L224 HydrophobicContact CD1-CG 4.01Å; L220-L224 HydrophobicContact CD2-CD1 4.36Å; L220-L224 HydrophobicContact CG-CD1 3.66Å; L220-L224 HydrophobicContact CG-CG 4.28Å; L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 WeakPolarHBondContact O-CG 3.35Å; L220-L224 PolarHBondContact O-N 3.41Å; L220-L247 HydrophobicContact CB-CD2 4.39Å; L220-L247 HydrophobicContact CD1-CD1 3.91Å; L220-L256 HydrophobicContact CD1-CD2 4.46Å; L220-L256 HydrophobicContact CD2-CD1 3.81Å; L220-V260 HydrophobicContact CD2-CG1 3.86Å; L220-L261 HydrophobicContact CD1-CD1 3.64Å
221S89.9Confident80.3Confident65 Ų6547.6 Ų47.646%0.45525%0.253SS..Hα-helixtrans-59.7-44.6176.490.30000111.8L217 D218 Y223 L224 D225L217-S221 PolarHBondContact O-N 2.97Å; D218-S221 WeakPolarHBondContact O-CA 3.24Å; D218-S221 WeakPolarHBondContact O-CB 3.26Å; D218-S221 PolarHBondContact O-N 3.36Å; D218-S221 PolarHBondContact O-OG 3.46Å; S221-Y223 PolarHBondContact O-N 3.29Å; S221-L224 PolarHBondContact O-N 3.15Å; S221-D225 PolarHBondContact O-N 3.11Å; S221-D225 VanDerWaalsContact O-N 3.13Å
222R87.9Confident78.5Confident78 Ų7851.9 Ų51.929%0.29427%0.274SS..Hα-helixtrans-64.6-34.5176.2-66.8-173.8-102.2137.6-11.8112.9E215 D218 R219 L220 P244 T245E215-R222 IonicContact OE1-CZ 2.69Å; E215-R222 IonicContact OE1-NH2 3.81Å; E215-R222 PolarHBondContact OE1-NH2 2.79Å; D218-R222 WeakPolarHBondContact O-CG 3.4Å; D218-R222 PolarHBondContact O-N 2.79Å; D218-R222 IonicContact OD1-NE 3.22Å; D218-R222 IonicContact OD2-CZ 3.77Å; D218-R222 IonicContact OD2-NE 3.84Å; D218-R222 PolarHBondContact OD2-NE 2.78Å; D218-R222 IonicContact OD2-NH2 3.39Å; D218-R222 PolarHBondContact OD2-NH2 2.82Å; R219-R222 PolarHBondContact O-N 2.93Å; L220-R222 VanDerWaalsContact C-N 3.34Å; L220-R222 PolarHBondContact O-N 3.23Å; R222-P244 PolarHBondContact NH1-O 3.35Å; R222-T245 HydrophobicContact CB-CG2 4.07Å
223Y82.6Confident76.4Confident67 Ų6756.4 Ų56.426%0.26330%0.302SS..Hα-helixtrans-71.9-32.3174.7177-99.5000112.9R219 L220 S221 L247 L261 L265R219-Y223 VanDerWaalsContact O-CB 3.28Å; R219-Y223 WeakPolarHBondContact O-CB 3.35Å; R219-Y223 PolarHBondContact O-N 3.28Å; L220-Y223 PolarHBondContact O-N 2.92Å; S221-Y223 PolarHBondContact O-N 3.29Å; Y223-L247 HydrophobicContact CD1-CD1 4Å; Y223-L247 HydrophobicContact CE1-CD1 4.49Å; Y223-L247 HydrophobicContact CG-CD1 4.14Å; Y223-L261 HydrophobicContact CD1-CD1 4.48Å; Y223-L261 HydrophobicContact CE1-CD1 4.27Å; Y223-L265 HydrophobicContact CE1-CD2 3.93Å
224L81.1Confident73.6Confident27 Ų2765.3 Ų65.314%0.14134%0.335CS..Hα-helixtrans-87.9-4.8-178.6-67.2173.6000113.7L220 S221 K226 N264 I268L220-L224 HydrophobicContact CD1-CD1 3.75Å; L220-L224 HydrophobicContact CD1-CD2 4.48Å; L220-L224 HydrophobicContact CD1-CG 4.01Å; L220-L224 HydrophobicContact CD2-CD1 4.36Å; L220-L224 HydrophobicContact CG-CD1 3.66Å; L220-L224 HydrophobicContact CG-CG 4.28Å; L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 WeakPolarHBondContact O-CG 3.35Å; L220-L224 PolarHBondContact O-N 3.41Å; S221-L224 PolarHBondContact O-N 3.15Å; L224-K226 PolarHBondContact O-N 3.43Å; L224-N264 HydrophobicContact CD1-CB 3.63Å; L224-N264 HydrophobicContact CD2-CB 4.01Å; L224-I268 HydrophobicContact CB-CD1 3.67Å; L224-I268 HydrophobicContact CD2-CD1 3.61Å; L224-I268 HydrophobicContact CG-CD1 4.12Å; L224-I268 VanDerWaalsContact O-CD1 3.28Å; L224-I268 WeakPolarHBondContact O-CD1 3.4Å
225D79.1Confident71Confident70 Ų7066.4 Ų66.437%0.37434%0.339SS..  trans-57.1124.6173.9-177.9-12.1000109.9S221 N227 V228 W229S221-D225 PolarHBondContact O-N 3.11Å; S221-D225 VanDerWaalsContact O-N 3.13Å; D225-N227 PolarHBondContact O-N 3.14Å; D225-N227 VanDerWaalsContact O-N 3.16Å; D225-N227 PolarHBondContact OD1-N 3.49Å; D225-N227 PolarHBondContact OD1-ND2 2.87Å; D225-V228 HydrophobicContact CB-CB 4.24Å; D225-V228 HydrophobicContact CB-CG2 4.02Å; D225-V228 WeakPolarHBondContact O-CB 3.35Å; D225-V228 PolarHBondContact O-N 3.17Å; D225-W229 WeakPolarHBondContact O-CB 3.33Å; D225-W229 PolarHBondContact O-N 3.03Å
226K58.8Low68.6Low134 Ų13474 Ų7458%0.58337%0.371SS*.Hα-helixtrans-51.9-35.7177.6-178.7179.9174.8-171.50112.6L224 V230 L272L224-K226 PolarHBondContact O-N 3.43Å; K226-V230 WeakPolarHBondContact O-CB 3.47Å; K226-V230 VanDerWaalsContact O-CG2 3.25Å; K226-V230 WeakPolarHBondContact O-CG2 3.37Å; K226-V230 PolarHBondContact O-N 2.66Å; K226-L272 HydrophobicContact CD-CD2 4.46Å; K226-L272 HydrophobicContact CG-CD2 4.37Å
227N55Low66.3Low120 Ų12079.2 Ų79.264%0.64240%0.404SS*.Hα-helixtrans-69-44.6178.5-62.8-41.6000111.2D225 A231D225-N227 PolarHBondContact O-N 3.14Å; D225-N227 VanDerWaalsContact O-N 3.16Å; D225-N227 PolarHBondContact OD1-N 3.49Å; D225-N227 PolarHBondContact OD1-ND2 2.87Å; N227-A231 VanDerWaalsContact O-CB 3.31Å; N227-A231 WeakPolarHBondContact O-CB 3.36Å; N227-A231 PolarHBondContact O-N 3.03Å
228V58.1Low64.5Low42 Ų4278.4 Ų78.426%0.25540%0.403SS..Hα-helixtrans-64.3-41.4175.1176.30000110.8D225 A231 N232D225-V228 HydrophobicContact CB-CB 4.24Å; D225-V228 HydrophobicContact CB-CG2 4.02Å; D225-V228 WeakPolarHBondContact O-CB 3.35Å; D225-V228 PolarHBondContact O-N 3.17Å; V228-A231 PolarHBondContact O-N 3.08Å; V228-N232 WeakPolarHBondContact CG1-ND2 3.47Å; V228-N232 WeakPolarHBondContact O-CB 3.33Å; V228-N232 PolarHBondContact O-N 3.35Å; V228-N232 PolarHBondContact O-ND2 3.19Å
229W59.2Low63.3Low38 Ų3878.4 Ų78.414%0.14441%0.409CS..Hα-helixtrans-68.4-38.7-179.8-148.286.1000112.8D225 T233 I268 Y269 L272 L282D225-W229 WeakPolarHBondContact O-CB 3.33Å; D225-W229 PolarHBondContact O-N 3.03Å; W229-T233 HydrophobicContact CE3-CG2 4.41Å; W229-T233 HydrophobicContact CZ3-CG2 4.4Å; W229-T233 WeakPolarHBondContact O-CG2 3.28Å; W229-T233 PolarHBondContact O-N 2.87Å; W229-T233 PolarHBondContact O-OG1 2.6Å; W229-I268 HydrophobicContact CD2-CG2 4.38Å; W229-Y269 HydrophobicContact CH2-CD2 4.19Å; W229-L272 HydrophobicContact CD2-CD1 4.29Å; W229-L272 HydrophobicContact CE3-CD1 3.42Å; W229-L272 VanDerWaalsContact CE3-CD1 3.42Å; W229-L272 HydrophobicContact CZ3-CD1 3.55Å; W229-L282 HydrophobicContact CZ2-CD1 3.85Å
230V50.8Low62.8Low48 Ų4878 Ų7829%0.29141%0.408SS..Hα-helixtrans-74.5-27.5173.6173.90000112.3K226 T233 R234K226-V230 WeakPolarHBondContact O-CB 3.47Å; K226-V230 VanDerWaalsContact O-CG2 3.25Å; K226-V230 WeakPolarHBondContact O-CG2 3.37Å; K226-V230 PolarHBondContact O-N 2.66Å; V230-T233 WeakPolarHBondContact CA-OG1 3.41Å; V230-T233 PolarHBondContact O-OG1 2.79Å; V230-R234 WeakPolarHBondContact O-CD 3.38Å; V230-R234 VanDerWaalsContact O-CG 3.28Å; V230-R234 WeakPolarHBondContact O-CG 3.27Å
231A49.8Very low62.5Low47 Ų4781.4 Ų81.439%0.38842%0.421SS..Hα-helixtrans-72-49.8171.300000111.8N227 V228 T233 R234 V235N227-A231 VanDerWaalsContact O-CB 3.31Å; N227-A231 WeakPolarHBondContact O-CB 3.36Å; N227-A231 PolarHBondContact O-N 3.03Å; V228-A231 PolarHBondContact O-N 3.08Å; A231-T233 PolarHBondContact O-N 3.01Å; A231-R234 PolarHBondContact O-N 2.98Å; A231-V235 PolarHBondContact O-N 3.2Å
232N53.3Low62.2Low97 Ų9779.4 Ų79.452%0.51941%0.408SS..Hα-helixtrans-61.9-25.6179.9-72.2-18.7000113.4V228V228-N232 WeakPolarHBondContact CG1-ND2 3.47Å; V228-N232 WeakPolarHBondContact O-CB 3.33Å; V228-N232 PolarHBondContact O-N 3.35Å; V228-N232 PolarHBondContact O-ND2 3.19Å
233T51Low62Low96 Ų9677.8 Ų77.859%0.58941%0.409SS*.THydrogen-bonded Turntrans-83.8-8.7173.544.40000114W229 V230 A231W229-T233 HydrophobicContact CE3-CG2 4.41Å; W229-T233 HydrophobicContact CZ3-CG2 4.4Å; W229-T233 WeakPolarHBondContact O-CG2 3.28Å; W229-T233 PolarHBondContact O-N 2.87Å; W229-T233 PolarHBondContact O-OG1 2.6Å; V230-T233 WeakPolarHBondContact CA-OG1 3.41Å; V230-T233 PolarHBondContact O-OG1 2.79Å; A231-T233 PolarHBondContact O-N 3.01Å
234R36.6Very low61.9Low202 Ų20278.3 Ų78.376%0.76242%0.421SS*.THydrogen-bonded Turntrans-107.7-29.4178.7-72.7176.3174.5-161-4113.8V230 A231V230-R234 WeakPolarHBondContact O-CD 3.38Å; V230-R234 VanDerWaalsContact O-CG 3.28Å; V230-R234 WeakPolarHBondContact O-CG 3.27Å; A231-R234 PolarHBondContact O-N 2.98Å
235V40.5Very low61.9Low79 Ų7978.2 Ų78.248%0.47942%0.421SS..  trans-108.7106-172.7-164.70000110.5A231 T237A231-V235 PolarHBondContact O-N 3.2Å; V235-T237 HydrophobicContact CG1-CG2 3.57Å; V235-T237 WeakPolarHBondContact CG1-OG1 3.39Å; V235-T237 PolarHBondContact O-N 2.78Å
236K44.7Very low62.3Low180 Ų18075.6 Ų75.678%0.78341%0.41SS*.  trans-67.119.7175.3-69.1-174.8179.2178.90113.5C238 E507K236-C238 PolarHBondContact O-N 2.99Å; K236-C238 VanDerWaalsContact O-N 3.12Å; K236-E507 IonicContact NZ-OE1 3.9Å; K236-E507 PolarHBondContact NZ-OE1 3.25Å; K236-E507 IonicContact NZ-OE2 3.21Å
237T45.3Very low63.8Low111 Ų11170 Ų7068%0.68139%0.387SS*.  trans-75.3100.6-17846.70000111.9V235 S239V235-T237 HydrophobicContact CG1-CG2 3.57Å; V235-T237 WeakPolarHBondContact CG1-OG1 3.39Å; V235-T237 PolarHBondContact O-N 2.78Å; T237-S239 VanDerWaalsContact C-N 3.33Å; T237-S239 PolarHBondContact O-N 3.14Å
238C55.3Low65.6Low50 Ų5066.1 Ų66.134%0.33837%0.369SS..  trans-78.875-179.9-164.30000111.4K236 L240 H350 R352K236-C238 PolarHBondContact O-N 2.99Å; K236-C238 VanDerWaalsContact O-N 3.12Å; C238-L240 PolarHBondContact O-N 3.39Å; C238-H350 PolarHBondContact SG-CE1 2.93Å; C238-R352 VanDerWaalsContact SG-CD 3.56Å
239S67.1Low67.3Low72 Ų7264.1 Ų64.150%0.50336%0.357SS..  trans-60.5128.1179.6-172.70000111.8T237T237-S239 VanDerWaalsContact C-N 3.33Å; T237-S239 PolarHBondContact O-N 3.14Å
240L81.4Confident69Low9 Ų962.3 Ų62.35%0.04735%0.35CS..  trans-82.9-20.4177.3-61.5169.5000112.7C238 W335 Q342 H350 T418 Y424C238-L240 PolarHBondContact O-N 3.39Å; L240-W335 HydrophobicContact CD1-CH2 3.56Å; L240-W335 HydrophobicContact CD1-CZ3 3.62Å; L240-W335 HydrophobicContact CD2-CH2 4.05Å; L240-W335 HydrophobicContact CG-CH2 4.47Å; L240-Q342 PolarHBondContact O-NE2 2.97Å; L240-Q342 PolarHBondContact O-OE1 2.67Å; L240-H350 HydrophobicContact CD2-CB 4.4Å; L240-T418 HydrophobicContact CD1-CG2 4.11Å; L240-T418 HydrophobicContact CD2-CG2 4.06Å; L240-T418 HydrophobicContact CG-CG2 4.26Å; L240-Y424 HydrophobicContact CB-CD2 3.64Å; L240-Y424 HydrophobicContact CB-CE2 3.54Å; L240-Y424 HydrophobicContact CD1-CD1 4.2Å; L240-Y424 HydrophobicContact CD1-CD2 3.69Å; L240-Y424 HydrophobicContact CD1-CE2 4.05Å; L240-Y424 HydrophobicContact CD1-CG 3.77Å; L240-Y424 HydrophobicContact CG-CD2 4.33Å; L240-Y424 HydrophobicContact CG-CE2 4.41Å
241Y85.8Confident71.1Confident77 Ų7761 Ų6130%0.30234%0.342SS..SBendtrans-75.5153.1-176.6-54.1-64.9000111.9S243 Y424 R427 Y428Y241-S243 PolarHBondContact O-N 3.21Å; Y241-S243 VanDerWaalsContact O-N 3.09Å; Y241-Y424 HydrophobicContact CD1-CD2 4.3Å; Y241-Y424 AromaticContact CE1-CD2 3.75Å; Y241-Y424 HydrophobicContact CE1-CD2 3.75Å; Y241-Y424 HydrophobicContact CE1-CE2 4.49Å; Y241-Y424 WeakPolarHBondContact OH-CA 3.38Å; Y241-Y424 PolarHBondContact OH-N 2.81Å; Y241-R427 VanDerWaalsContact CE1-CD 3.44Å; Y241-Y428 HydrophobicContact CD1-CE2 4.12Å; Y241-Y428 AromaticContact CE1-CE2 3.96Å; Y241-Y428 HydrophobicContact CE1-CE2 3.96Å
242A83.4Confident73.2Confident24 Ų2460 Ų6020%0.19833%0.328CS..  trans-56.5113.7175.100000111.7V208 W209 W348V208-A242 HydrophobicContact CG1-CB 3.42Å; V208-A242 VanDerWaalsContact CG1-CB 3.42Å; W209-A242 HydrophobicContact CZ2-CB 3.57Å; A242-W348 HydrophobicContact CB-CE3 4.38Å
243S83.9Confident75.1Confident43 Ų4356.1 Ų56.130%0.30131%0.306SS..  trans-75.7136.5-179.5179.40000111.9Y241 T245 G246Y241-S243 PolarHBondContact O-N 3.21Å; Y241-S243 VanDerWaalsContact O-N 3.09Å; S243-T245 PolarHBondContact O-N 3.13Å; S243-T245 VanDerWaalsContact O-N 3.08Å; S243-T245 PolarHBondContact OG-N 3.2Å; S243-T245 VanDerWaalsContact OG-N 3.09Å; S243-T245 PolarHBondContact OG-OG1 3.21Å; S243-G246 PolarHBondContact O-N 2.99Å
244P79.3Confident77.2Confident79 Ų7951.6 Ų51.651%0.51328%0.279SS..THydrogen-bonded Turntrans-64.6-8.6169.729.8-36.4000113.3R219 R222R219-P244 WeakPolarHBondContact CG-O 3.45Å; R222-P244 PolarHBondContact NH1-O 3.35Å
245T82.3Confident80Confident24 Ų2442 Ų4215%0.14724%0.242CC..THydrogen-bonded Turntrans-107.38.8173.661.20000113.4R222 S243R222-T245 HydrophobicContact CB-CG2 4.07Å; S243-T245 PolarHBondContact O-N 3.13Å; S243-T245 VanDerWaalsContact O-N 3.08Å; S243-T245 PolarHBondContact OG-N 3.2Å; S243-T245 VanDerWaalsContact OG-N 3.09Å; S243-T245 PolarHBondContact OG-OG1 3.21Å
246G86.1Confident82.6Confident15 Ų1538.3 Ų38.316%0.15522%0.22CC..  trans-70.1136177.800000112.7S243S243-G246 PolarHBondContact O-N 2.99Å
247L91.7Very high85Confident16 Ų1629.8 Ų29.88%0.08418%0.183CC..  trans-117.8-6.8-172.4-58-179.9000115R219 L220 Y223 Y250 L251 L256 L261R219-L247 HydrophobicContact CB-CD2 3.92Å; L220-L247 HydrophobicContact CB-CD2 4.39Å; L220-L247 HydrophobicContact CD1-CD1 3.91Å; Y223-L247 HydrophobicContact CD1-CD1 4Å; Y223-L247 HydrophobicContact CE1-CD1 4.49Å; Y223-L247 HydrophobicContact CG-CD1 4.14Å; L247-Y250 PolarHBondContact O-N 2.82Å; L247-L251 HydrophobicContact CB-CD1 4.42Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 2.77Å; L247-L256 HydrophobicContact CB-CD2 4.16Å; L247-L256 HydrophobicContact CD1-CD2 4.01Å; L247-L256 HydrophobicContact CD2-CD2 4.24Å; L247-L256 HydrophobicContact CG-CD2 4.36Å; L247-L261 HydrophobicContact CD1-CD1 3.77Å; L247-L261 HydrophobicContact CD1-CD2 4.03Å
248S92.4Very high87.3Confident40 Ų4024.6 Ų24.628%0.2815%0.152SC..Hα-helixtrans-66.4-39.2-168510000115.8Y250 L251 R252 W348 D383S248-Y250 VanDerWaalsContact C-N 3.32Å; S248-Y250 PolarHBondContact O-N 2.85Å; S248-L251 PolarHBondContact O-N 2.95Å; S248-R252 PolarHBondContact O-N 3.46Å; S248-R252 VanDerWaalsContact O-N 3.09Å; S248-W348 PolarHBondContact OG-NE1 2.65Å; S248-D383 WeakPolarHBondContact CB-OD2 3.32Å; S248-D383 PolarHBondContact OG-OD2 2.88Å
249P93.8Very high89.2Confident0 Ų022.9 Ų22.90%014%0.138CC..Hα-helixtrans-61.3-39.2173.8-26.638.1000112.9F53 W209 L251 R252 F253 L382F53-P249 HydrophobicContact CE1-CB 4.23Å; F53-P249 HydrophobicContact CE2-CB 3.77Å; F53-P249 HydrophobicContact CZ-CB 3.61Å; W209-P249 HydrophobicContact CD2-CG 4.19Å; W209-P249 HydrophobicContact CE3-CG 3.81Å; W209-P249 HydrophobicContact CZ3-CG 4.2Å; P249-L251 VanDerWaalsContact C-N 3.34Å; P249-L251 PolarHBondContact O-N 2.9Å; P249-R252 WeakPolarHBondContact O-CB 3.49Å; P249-R252 PolarHBondContact O-N 2.81Å; P249-R252 VanDerWaalsContact O-N 3.1Å; P249-F253 WeakPolarHBondContact O-CD2 3.37Å; P249-F253 PolarHBondContact O-N 2.76Å; P249-L382 HydrophobicContact CB-CB 4.07Å; P249-L382 HydrophobicContact CG-CB 3.97Å
250Y95.3Very high90.5Very high0 Ų020.4 Ų20.40%012%0.12CC..Hα-helixtrans-68.9-32-179.5-47.9-84.5000112.3F53 W209 R210 E215 A216 R219 L247 S248 G254 C255 L256F53-Y250 HydrophobicContact CE2-CD1 4.33Å; F53-Y250 AromaticContact CE2-CE1 3.86Å; F53-Y250 HydrophobicContact CE2-CE1 3.86Å; F53-Y250 AromaticContact CZ-CD1 3.67Å; F53-Y250 HydrophobicContact CZ-CD1 3.67Å; F53-Y250 AromaticContact CZ-CE1 3.67Å; F53-Y250 HydrophobicContact CZ-CE1 3.67Å; F53-Y250 HydrophobicContact CZ-CG 4.26Å; W209-Y250 HydrophobicContact CE3-CE2 4.13Å; W209-Y250 HydrophobicContact CZ3-CE2 4.38Å; R210-Y250 WeakPolarHBondContact O-CE1 3.38Å; R210-Y250 PolarHBondContact O-OH 3.36Å; E215-Y250 HydrophobicContact CB-CE1 4.33Å; E215-Y250 HydrophobicContact CG-CE1 4.11Å; E215-Y250 WeakPolarHBondContact CG-OH 3.17Å; A216-Y250 HydrophobicContact CB-CD1 3.47Å; A216-Y250 VanDerWaalsContact CB-CD1 3.47Å; A216-Y250 HydrophobicContact CB-CE1 4.28Å; A216-Y250 HydrophobicContact CB-CG 3.69Å; R219-Y250 WeakPolarHBondContact CD-OH 3.46Å; R219-Y250 VanDerWaalsContact CZ-OH 3.25Å; R219-Y250 PolarHBondContact NE-OH 3.46Å; R219-Y250 VanDerWaalsContact NE-OH 3.14Å; L247-Y250 PolarHBondContact O-N 2.82Å; S248-Y250 VanDerWaalsContact C-N 3.32Å; S248-Y250 PolarHBondContact O-N 2.85Å; Y250-G254 CarbonylContact O-C 3.59Å; Y250-G254 WeakPolarHBondContact O-CA 3.23Å; Y250-G254 PolarHBondContact O-N 2.94Å; Y250-C255 HydrophobicContact CD1-CB 4.27Å; Y250-C255 PolarHBondContact O-N 3.43Å; Y250-L256 PolarHBondContact O-N 3.04Å
251L94.6Very high91Very high20 Ų2020.5 Ų20.511%0.10512%0.12CC..Hα-helixtrans-74.5-23.3171.5-66.9168.4000113.3L247 S248 P249 L256 C258 L261 L286 R289L247-L251 HydrophobicContact CB-CD1 4.42Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 2.77Å; S248-L251 PolarHBondContact O-N 2.95Å; P249-L251 VanDerWaalsContact C-N 3.34Å; P249-L251 PolarHBondContact O-N 2.9Å; L251-L256 HydrophobicContact CD2-CB 4.21Å; L251-L256 HydrophobicContact CD2-CD2 3.95Å; L251-L256 HydrophobicContact CD2-CG 3.9Å; L251-L256 HydrophobicContact CG-CD2 4.24Å; L251-C258 HydrophobicContact CD2-CB 4.35Å; L251-L261 HydrophobicContact CD1-CD2 3.83Å; L251-L261 HydrophobicContact CD2-CD2 4.2Å; L251-L286 HydrophobicContact CD1-CD2 4.2Å; L251-L286 HydrophobicContact CD2-CD2 4.43Å; L251-R289 PolarHBondContact O-NH2 3Å
252R93.5Very high91.3Very high26 Ų2617.3 Ų17.310%0.09811%0.108CC..Hα-helixtrans-76.9-49.8175.7164.659.6-173.7105.6-15.3112.1S248 P249 G254 L382 D383 A384 D385S248-R252 PolarHBondContact O-N 3.46Å; S248-R252 VanDerWaalsContact O-N 3.09Å; P249-R252 WeakPolarHBondContact O-CB 3.49Å; P249-R252 PolarHBondContact O-N 2.81Å; P249-R252 VanDerWaalsContact O-N 3.1Å; R252-G254 VanDerWaalsContact C-N 3.28Å; R252-L382 WeakPolarHBondContact CG-O 3.17Å; R252-D383 HydrophobicContact CB-CB 4.34Å; R252-A384 VanDerWaalsContact NE-C 3.29Å; R252-A384 PolarHBondContact NE-O 2.85Å; R252-D385 WeakPolarHBondContact CD-OD1 3.43Å; R252-D385 WeakPolarHBondContact CD-OD2 3.46Å; R252-D385 IonicContact CZ-OD1 2.83Å; R252-D385 IonicContact NE-OD1 3.57Å; R252-D385 PolarHBondContact NE-OD1 2.69Å; R252-D385 IonicContact NH1-OD1 2.68Å; R252-D385 PolarHBondContact NH1-OD1 3.19Å; R252-D385 IonicContact NH2-OD1 2.68Å
253F93.4Very high91.7Very high15 Ų1517.1 Ų17.17%0.06610%0.102CC..Hα-helixtrans-79-13.7177-77.5-91.3000112.9K8 G9 L10 R50 F53 L54 P249 C255K8-F253 CarbonylContact C-O 3.49Å; K8-F253 WeakPolarHBondContact CA-O 3.27Å; G9-F253 PolarHBondContact N-O 3.43Å; L10-F253 HydrophobicContact CD1-CB 4.49Å; L10-F253 HydrophobicContact CD1-CD1 4.22Å; L10-F253 PolarHBondContact N-O 2.84Å; R50-F253 HydrophobicContact CG-CZ 3.95Å; F53-F253 HydrophobicContact CD1-CD1 4.4Å; F53-F253 AromaticContact CD1-CD2 3.42Å; F53-F253 HydrophobicContact CD1-CD2 3.42Å; F53-F253 VanDerWaalsContact CD1-CD2 3.42Å; F53-F253 HydrophobicContact CD1-CE1 4.44Å; F53-F253 AromaticContact CD1-CE2 3.46Å; F53-F253 HydrophobicContact CD1-CE2 3.46Å; F53-F253 VanDerWaalsContact CD1-CE2 3.46Å; F53-F253 AromaticContact CD1-CG 3.9Å; F53-F253 HydrophobicContact CD1-CG 3.9Å; F53-F253 AromaticContact CD1-CZ 3.98Å; F53-F253 HydrophobicContact CD1-CZ 3.98Å; F53-F253 HydrophobicContact CE1-CB 4.08Å; F53-F253 AromaticContact CE1-CD2 3.39Å; F53-F253 HydrophobicContact CE1-CD2 3.39Å; F53-F253 AromaticContact CE1-CE2 3.93Å; F53-F253 HydrophobicContact CE1-CE2 3.93Å; F53-F253 AromaticContact CE1-CG 3.8Å; F53-F253 HydrophobicContact CE1-CG 3.8Å; F53-F253 HydrophobicContact CG-CE2 4.31Å; L54-F253 HydrophobicContact CB-CE1 3.87Å; L54-F253 HydrophobicContact CB-CZ 4.48Å; L54-F253 HydrophobicContact CD1-CD1 4.22Å; L54-F253 HydrophobicContact CD1-CE1 4.06Å; L54-F253 HydrophobicContact CG-CE1 4.45Å; P249-F253 WeakPolarHBondContact O-CD2 3.37Å; P249-F253 PolarHBondContact O-N 2.76Å; F253-C255 VanDerWaalsContact C-N 3.31Å
254G94Very high92Very high1 Ų117.5 Ų17.51%0.0110%0.101CC..THydrogen-bonded Turntrans78.113.8-178.600000113.9R11 Y250 R252 L256R11-G254 WeakPolarHBondContact CD-O 3.3Å; R11-G254 VanDerWaalsContact CG-O 3.24Å; R11-G254 WeakPolarHBondContact CG-O 3.5Å; R11-G254 PolarHBondContact NH1-O 2.58Å; Y250-G254 CarbonylContact O-C 3.59Å; Y250-G254 WeakPolarHBondContact O-CA 3.23Å; Y250-G254 PolarHBondContact O-N 2.94Å; R252-G254 VanDerWaalsContact C-N 3.28Å; G254-L256 PolarHBondContact O-N 2.92Å
255C95.5Very high92.5Very high0 Ų014 Ų140%08%0.078CC..SBendtrans-61-24.1167.8-53.80000112.4L10 H13 A216 Y250 F253L10-C255 WeakPolarHBondContact O-CA 3.14Å; H13-C255 PolarHBondContact CE1-O 2.94Å; H13-C255 VanDerWaalsContact CE1-O 3.28Å; A216-C255 HydrophobicContact CB-CB 4.2Å; Y250-C255 HydrophobicContact CD1-CB 4.27Å; Y250-C255 PolarHBondContact O-N 3.43Å; F253-C255 VanDerWaalsContact C-N 3.31Å
256L95.4Very high92.7Very high2 Ų215.2 Ų15.21%0.018%0.08CC..SBendtrans-116.3127.2166.917756.6000110A216 L220 L247 Y250 L251 G254 C258 V260 L261A216-L256 HydrophobicContact CB-CB 4.19Å; L220-L256 HydrophobicContact CD1-CD2 4.46Å; L220-L256 HydrophobicContact CD2-CD1 3.81Å; L247-L256 HydrophobicContact CB-CD2 4.16Å; L247-L256 HydrophobicContact CD1-CD2 4.01Å; L247-L256 HydrophobicContact CD2-CD2 4.24Å; L247-L256 HydrophobicContact CG-CD2 4.36Å; Y250-L256 PolarHBondContact O-N 3.04Å; L251-L256 HydrophobicContact CD2-CB 4.21Å; L251-L256 HydrophobicContact CD2-CD2 3.95Å; L251-L256 HydrophobicContact CD2-CG 3.9Å; L251-L256 HydrophobicContact CG-CD2 4.24Å; G254-L256 PolarHBondContact O-N 2.92Å; L256-C258 PolarHBondContact O-N 3.21Å; L256-V260 HydrophobicContact CD1-CG1 4.42Å; L256-L261 HydrophobicContact CD2-CB 4.36Å; L256-L261 HydrophobicContact CD2-CD2 4.43Å
257S95.4Very high92.8Very high1 Ų118.3 Ų18.31%0.0079%0.09CC..  trans-65.7129.2167166.40000111.2H13 D14 R259 V260 L261H13-S257 PolarHBondContact NE2-N 2.95Å; D14-S257 WeakPolarHBondContact OD2-CB 3.45Å; D14-S257 PolarHBondContact OD2-OG 2.79Å; S257-R259 PolarHBondContact O-N 2.8Å; S257-R259 WeakPolarHBondContact OG-CB 3.35Å; S257-R259 PolarHBondContact OG-N 3.39Å; S257-V260 PolarHBondContact O-N 2.72Å; S257-V260 PolarHBondContact OG-N 3.4Å; S257-L261 PolarHBondContact O-N 2.58Å
258C94.3Very high92.5Very high3 Ų319 Ų192%0.029%0.093CC..Hα-helixtrans-58.6-32170.162.10000112.3T130 L131 L251 L256 Y262 L286T130-C258 VanDerWaalsContact C-SG 3.57Å; L131-C258 HydrophobicContact CD2-CB 4.04Å; L131-C258 WeakPolarHBondContact CD2-O 3.23Å; L131-C258 HydrophobicContact CG-CB 4.35Å; L251-C258 HydrophobicContact CD2-CB 4.35Å; L256-C258 PolarHBondContact O-N 3.21Å; C258-Y262 WeakPolarHBondContact O-CB 3.46Å; C258-Y262 PolarHBondContact O-N 3.19Å; C258-L286 HydrophobicContact CB-CD2 4.12Å
259R94.6Very high92.1Very high13 Ų1319.2 Ų19.25%0.0499%0.088CC..Hα-helixtrans-73.6-38.7179.7-61.8171.5-179.5159.67.8111.8N127 T130 L131 R163 P165 S257 Y262 Y263N127-R259 VanDerWaalsContact O-CZ 3.28Å; N127-R259 PolarHBondContact O-NH1 3.26Å; N127-R259 PolarHBondContact O-NH2 2.84Å; T130-R259 PolarHBondContact O-NE 2.89Å; T130-R259 PolarHBondContact O-NH2 3.39Å; L131-R259 HydrophobicContact CD2-CB 4.5Å; L131-R259 HydrophobicContact CD2-CG 3.97Å; R163-R259 WeakPolarHBondContact O-CD 3.49Å; P165-R259 HydrophobicContact CB-CB 4.32Å; S257-R259 PolarHBondContact O-N 2.8Å; S257-R259 WeakPolarHBondContact OG-CB 3.35Å; S257-R259 PolarHBondContact OG-N 3.39Å; R259-Y262 PolarHBondContact O-N 3.19Å; R259-Y263 WeakPolarHBondContact O-CB 3.49Å; R259-Y263 WeakPolarHBondContact O-CD2 3.45Å; R259-Y263 PolarHBondContact O-N 2.97Å
260V93.6Very high91.6Very high21 Ų2122.1 Ų22.113%0.12710%0.103CC..Hα-helixtrans-61.3-46.9172.71710000110.4D14 P165 L220 L256 S257 Y263 N264D14-V260 HydrophobicContact CB-CG2 4.15Å; P165-V260 HydrophobicContact CB-CG2 3.5Å; P165-V260 VanDerWaalsContact CB-CG2 3.5Å; P165-V260 HydrophobicContact CG-CG2 3.98Å; L220-V260 HydrophobicContact CD2-CG1 3.86Å; L256-V260 HydrophobicContact CD1-CG1 4.42Å; S257-V260 PolarHBondContact O-N 2.72Å; S257-V260 PolarHBondContact OG-N 3.4Å; V260-Y263 PolarHBondContact O-N 2.9Å; V260-N264 VanDerWaalsContact O-CB 3.32Å; V260-N264 WeakPolarHBondContact O-CB 3.19Å; V260-N264 VanDerWaalsContact O-CG 3.26Å; V260-N264 PolarHBondContact O-N 2.98Å; V260-N264 PolarHBondContact O-ND2 2.93Å
261L92.8Very high91Very high10 Ų1029 Ų295%0.05213%0.133CC..Hα-helixtrans-61.2-46.4175.3178.357.5000112.2L220 Y223 L247 L251 L256 S257 Y263 N264 L265 L286L220-L261 HydrophobicContact CD1-CD1 3.64Å; Y223-L261 HydrophobicContact CD1-CD1 4.48Å; Y223-L261 HydrophobicContact CE1-CD1 4.27Å; L247-L261 HydrophobicContact CD1-CD1 3.77Å; L247-L261 HydrophobicContact CD1-CD2 4.03Å; L251-L261 HydrophobicContact CD1-CD2 3.83Å; L251-L261 HydrophobicContact CD2-CD2 4.2Å; L256-L261 HydrophobicContact CD2-CB 4.36Å; L256-L261 HydrophobicContact CD2-CD2 4.43Å; S257-L261 PolarHBondContact O-N 2.58Å; L261-Y263 PolarHBondContact O-N 3.25Å; L261-N264 PolarHBondContact O-N 2.83Å; L261-L265 HydrophobicContact CD1-CD1 3.93Å; L261-L265 HydrophobicContact CD1-CG 4.01Å; L261-L265 HydrophobicContact CG-CD1 4.03Å; L261-L265 WeakPolarHBondContact O-CB 3.28Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 3.18Å; L261-L286 HydrophobicContact CD2-CD1 4.24Å; L261-L286 HydrophobicContact CD2-CD2 4.28Å; L261-L286 HydrophobicContact CD2-CG 4.44Å; L261-L286 HydrophobicContact CG-CD1 4.2Å
262Y92.4Very high90.3Very high11 Ų1131 Ų314%0.04314%0.143CC..Hα-helixtrans-58.5-47.9177.7176.1-87.2000112.4L131 P162 C258 R259 R266 Y283L131-Y262 HydrophobicContact CD1-CD2 3.95Å; L131-Y262 HydrophobicContact CD1-CG 4.47Å; L131-Y262 HydrophobicContact CD2-CD2 4.41Å; L131-Y262 HydrophobicContact CD2-CG 4.12Å; P162-Y262 HydrophobicContact CB-CD1 4.41Å; P162-Y262 HydrophobicContact CB-CE1 4.39Å; P162-Y262 HydrophobicContact CG-CD1 4.1Å; P162-Y262 HydrophobicContact CG-CD2 4.43Å; P162-Y262 HydrophobicContact CG-CE1 3.79Å; P162-Y262 HydrophobicContact CG-CE2 4.14Å; P162-Y262 HydrophobicContact CG-CG 4.43Å; C258-Y262 WeakPolarHBondContact O-CB 3.46Å; C258-Y262 PolarHBondContact O-N 3.19Å; R259-Y262 PolarHBondContact O-N 3.19Å; Y262-R266 WeakPolarHBondContact O-CB 3.44Å; Y262-R266 PolarHBondContact O-N 3Å; Y262-Y283 AromaticContact CD2-CD1 3.36Å; Y262-Y283 HydrophobicContact CD2-CD1 3.36Å; Y262-Y283 HydrophobicContact CD2-CD2 4.37Å; Y262-Y283 AromaticContact CD2-CE1 3.54Å; Y262-Y283 HydrophobicContact CD2-CE1 3.54Å; Y262-Y283 AromaticContact CD2-CG 3.8Å; Y262-Y283 HydrophobicContact CD2-CG 3.8Å; Y262-Y283 AromaticContact CE2-CD1 3.66Å; Y262-Y283 HydrophobicContact CE2-CD1 3.66Å; Y262-Y283 AromaticContact CE2-CD2 3.84Å; Y262-Y283 HydrophobicContact CE2-CD2 3.84Å; Y262-Y283 AromaticContact CE2-CE1 3.65Å; Y262-Y283 HydrophobicContact CE2-CE1 3.65Å; Y262-Y283 AromaticContact CE2-CE2 3.84Å; Y262-Y283 HydrophobicContact CE2-CE2 3.84Å; Y262-Y283 AromaticContact CE2-CG 3.74Å; Y262-Y283 HydrophobicContact CE2-CG 3.74Å; Y262-Y283 AromaticContact CE2-CZ 3.74Å; Y262-Y283 HydrophobicContact CG-CD1 4.21Å; Y262-Y283 HydrophobicContact CG-CE1 4.1Å
263Y92.1Very high89.4Confident20 Ų2031.9 Ų31.98%0.07815%0.153CC..Hα-helixtrans-70.9-36.9-179.3-90.6-84.2000112.9P162 R164 P165 R259 V260 L261 R266 E267P162-Y263 WeakPolarHBondContact O-CE2 3.39Å; P162-Y263 PolarHBondContact O-OH 2.7Å; R164-Y263 HydrophobicContact CB-CE2 4.48Å; R164-Y263 HydrophobicContact CG-CE1 3.78Å; R164-Y263 HydrophobicContact CG-CE2 4.12Å; P165-Y263 VanDerWaalsContact CD-CD2 3.5Å; R259-Y263 WeakPolarHBondContact O-CB 3.49Å; R259-Y263 WeakPolarHBondContact O-CD2 3.45Å; R259-Y263 PolarHBondContact O-N 2.97Å; V260-Y263 PolarHBondContact O-N 2.9Å; L261-Y263 PolarHBondContact O-N 3.25Å; Y263-R266 WeakPolarHBondContact O-CB 3.49Å; Y263-R266 PolarHBondContact O-N 3.39Å; Y263-E267 PolarHBondContact O-N 2.85Å
264N90.5Very high88.3Confident50 Ų5040.5 Ų40.527%0.26719%0.19SC..Hα-helixtrans-67.2-43.5175.7-73.1-13.9000112.1L224 V260 L261 R266 E267 I268L224-N264 HydrophobicContact CD1-CB 3.63Å; L224-N264 HydrophobicContact CD2-CB 4.01Å; V260-N264 VanDerWaalsContact O-CB 3.32Å; V260-N264 WeakPolarHBondContact O-CB 3.19Å; V260-N264 VanDerWaalsContact O-CG 3.26Å; V260-N264 PolarHBondContact O-N 2.98Å; V260-N264 PolarHBondContact O-ND2 2.93Å; L261-N264 PolarHBondContact O-N 2.83Å; N264-R266 VanDerWaalsContact C-N 3.33Å; N264-R266 PolarHBondContact O-N 3.04Å; N264-E267 PolarHBondContact O-N 3.11Å; N264-I268 WeakPolarHBondContact O-CG1 3.42Å; N264-I268 PolarHBondContact O-N 3.3Å
265L88.5Confident86.8Confident7 Ų751.1 Ų51.14%0.03723%0.23CC..Hα-helixtrans-56.4-47.1171.6-80.6172000111.5Y223 L261 E267 I268 Y269 L282 Y283Y223-L265 HydrophobicContact CE1-CD2 3.93Å; L261-L265 HydrophobicContact CD1-CD1 3.93Å; L261-L265 HydrophobicContact CD1-CG 4.01Å; L261-L265 HydrophobicContact CG-CD1 4.03Å; L261-L265 WeakPolarHBondContact O-CB 3.28Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 3.18Å; L265-E267 PolarHBondContact O-N 3.3Å; L265-I268 PolarHBondContact O-N 3.29Å; L265-Y269 WeakPolarHBondContact O-CB 3.35Å; L265-Y269 PolarHBondContact O-N 3.25Å; L265-L282 HydrophobicContact CB-CD2 4.41Å; L265-L282 HydrophobicContact CB-CG 4.44Å; L265-L282 HydrophobicContact CD2-CD1 4.14Å; L265-Y283 HydrophobicContact CB-CD1 4.48Å; L265-Y283 HydrophobicContact CB-CE1 4.01Å; L265-Y283 HydrophobicContact CD1-CD1 4.28Å
266R87.6Confident85.6Confident48 Ų4854.4 Ų54.418%0.18125%0.253CS..Hα-helixtrans-58-47.7177.5179.4173.2-179.6144.9-2.5112.2L161 Y262 Y263 N264 Y269 M270 P278 Y283L161-R266 VanDerWaalsContact CD1-NH1 3.26Å; Y262-R266 WeakPolarHBondContact O-CB 3.44Å; Y262-R266 PolarHBondContact O-N 3Å; Y263-R266 WeakPolarHBondContact O-CB 3.49Å; Y263-R266 PolarHBondContact O-N 3.39Å; N264-R266 VanDerWaalsContact C-N 3.33Å; N264-R266 PolarHBondContact O-N 3.04Å; R266-Y269 PolarHBondContact O-N 3.35Å; R266-M270 HydrophobicContact CG-CE 4.16Å; R266-M270 HydrophobicContact CG-SD 3.99Å; R266-M270 WeakPolarHBondContact O-CB 3.43Å; R266-M270 VanDerWaalsContact O-CG 3.31Å; R266-M270 WeakPolarHBondContact O-CG 3.47Å; R266-M270 PolarHBondContact O-N 2.95Å; R266-P278 HydrophobicContact CG-CG 4.36Å; R266-Y283 WeakPolarHBondContact CA-OH 3.49Å; R266-Y283 VanDerWaalsContact CB-OH 3.28Å; R266-Y283 WeakPolarHBondContact CB-OH 3.07Å
267E88Confident84.6Confident81 Ų8159 Ų5938%0.37929%0.285SS..Hα-helixtrans-65.7-42.1-178.6-80.9-161.9-161.200112.5Y263 N264 L265 M270 K271Y263-E267 PolarHBondContact O-N 2.85Å; N264-E267 PolarHBondContact O-N 3.11Å; L265-E267 PolarHBondContact O-N 3.3Å; E267-M270 PolarHBondContact O-N 3.45Å; E267-K271 WeakPolarHBondContact O-CB 3.38Å; E267-K271 WeakPolarHBondContact O-CD 3.21Å; E267-K271 WeakPolarHBondContact O-CG 3.19Å; E267-K271 PolarHBondContact O-N 3.25Å; E267-K271 WeakPolarHBondContact OE2-CE 3.45Å; E267-K271 IonicContact OE2-NZ 3.07Å; E267-K271 PolarHBondContact OE2-NZ 3.49Å
268I85Confident83.9Confident29 Ų2960.2 Ų60.215%0.14929%0.293CS..Hα-helixtrans-65.9-43.7177.8-68.1-175.6000110.8L224 W229 N264 L265 M270 K271 L272L224-I268 HydrophobicContact CB-CD1 3.67Å; L224-I268 HydrophobicContact CD2-CD1 3.61Å; L224-I268 HydrophobicContact CG-CD1 4.12Å; L224-I268 VanDerWaalsContact O-CD1 3.28Å; L224-I268 WeakPolarHBondContact O-CD1 3.4Å; W229-I268 HydrophobicContact CD2-CG2 4.38Å; N264-I268 WeakPolarHBondContact O-CG1 3.42Å; N264-I268 PolarHBondContact O-N 3.3Å; L265-I268 PolarHBondContact O-N 3.29Å; I268-M270 VanDerWaalsContact C-N 3.34Å; I268-M270 PolarHBondContact O-N 2.93Å; I268-K271 PolarHBondContact O-N 2.94Å; I268-L272 HydrophobicContact CG2-CD1 3.73Å; I268-L272 HydrophobicContact CG2-CG 4.33Å; I268-L272 WeakPolarHBondContact O-CG 3.22Å; I268-L272 PolarHBondContact O-N 3.26Å
269Y83.1Confident83.3Confident45 Ų4562.8 Ų62.818%0.17631%0.31CS..Hα-helixtrans-57.6-47173.5-172.4-83.6000111.5W229 L265 R266 K271 L272 C273 S277 P278 P279 L282W229-Y269 HydrophobicContact CH2-CD2 4.19Å; L265-Y269 WeakPolarHBondContact O-CB 3.35Å; L265-Y269 PolarHBondContact O-N 3.25Å; R266-Y269 PolarHBondContact O-N 3.35Å; Y269-K271 VanDerWaalsContact C-N 3.33Å; Y269-K271 PolarHBondContact O-N 3.35Å; Y269-L272 PolarHBondContact O-N 2.85Å; Y269-C273 HydrophobicContact CD1-CB 4.09Å; Y269-C273 HydrophobicContact CE1-CB 3.71Å; Y269-C273 HydrophobicContact CE2-CB 4.47Å; Y269-C273 VanDerWaalsContact O-CB 3.31Å; Y269-C273 WeakPolarHBondContact O-CB 3.37Å; Y269-C273 PolarHBondContact O-N 3.34Å; Y269-S277 WeakPolarHBondContact CE1-O 3.28Å; Y269-P278 HydrophobicContact CD1-CB 3.7Å; Y269-P278 VanDerWaalsContact CE1-CA 3.5Å; Y269-P278 HydrophobicContact CE1-CB 4.11Å; Y269-P278 HydrophobicContact CG-CB 3.97Å; Y269-P279 HydrophobicContact CE2-CG 4.49Å; Y269-P279 VanDerWaalsContact CZ-CD 3.5Å; Y269-P279 WeakPolarHBondContact OH-CD 3.49Å; Y269-L282 HydrophobicContact CD2-CD2 3.92Å; Y269-L282 HydrophobicContact CG-CD2 3.94Å
270M84.1Confident82.7Confident61 Ų6165 Ų6530%0.332%0.322SS..Hα-helixtrans-66-32.6178.8-73.6-179.6166.800113.4R266 E267 I268 R275R266-M270 HydrophobicContact CG-CE 4.16Å; R266-M270 HydrophobicContact CG-SD 3.99Å; R266-M270 WeakPolarHBondContact O-CB 3.43Å; R266-M270 VanDerWaalsContact O-CG 3.31Å; R266-M270 WeakPolarHBondContact O-CG 3.47Å; R266-M270 PolarHBondContact O-N 2.95Å; E267-M270 PolarHBondContact O-N 3.45Å; I268-M270 VanDerWaalsContact C-N 3.34Å; I268-M270 PolarHBondContact O-N 2.93Å; M270-R275 PolarHBondContact O-N 3.36Å
271K83.2Confident82Confident146 Ų14668.5 Ų68.564%0.63535%0.348SS*.Hα-helixtrans-70.8-36.3175.1-72.6161.2-168168.40112.2E267 I268 Y269E267-K271 WeakPolarHBondContact O-CB 3.38Å; E267-K271 WeakPolarHBondContact O-CD 3.21Å; E267-K271 WeakPolarHBondContact O-CG 3.19Å; E267-K271 PolarHBondContact O-N 3.25Å; E267-K271 WeakPolarHBondContact OE2-CE 3.45Å; E267-K271 IonicContact OE2-NZ 3.07Å; E267-K271 PolarHBondContact OE2-NZ 3.49Å; I268-K271 PolarHBondContact O-N 2.94Å; Y269-K271 VanDerWaalsContact C-N 3.33Å; Y269-K271 PolarHBondContact O-N 3.35Å
272L79.8Confident81.5Confident61 Ų6169.9 Ų69.932%0.31936%0.355SS..Hα-helixtrans-85-49.1179.9-65.9173.6000112.6K226 W229 I268 Y269 K274K226-L272 HydrophobicContact CD-CD2 4.46Å; K226-L272 HydrophobicContact CG-CD2 4.37Å; W229-L272 HydrophobicContact CD2-CD1 4.29Å; W229-L272 HydrophobicContact CE3-CD1 3.42Å; W229-L272 VanDerWaalsContact CE3-CD1 3.42Å; W229-L272 HydrophobicContact CZ3-CD1 3.55Å; I268-L272 HydrophobicContact CG2-CD1 3.73Å; I268-L272 HydrophobicContact CG2-CG 4.33Å; I268-L272 WeakPolarHBondContact O-CG 3.22Å; I268-L272 PolarHBondContact O-N 3.26Å; Y269-L272 PolarHBondContact O-N 2.85Å; L272-K274 VanDerWaalsContact C-N 3.26Å; L272-K274 PolarHBondContact O-N 3.23Å; L272-K274 VanDerWaalsContact O-N 3.17Å
273C74.1Confident81.2Confident44 Ų4469.6 Ų69.630%0.29735%0.354SS..THydrogen-bonded Turntrans-89.636-173.6-59.40000113.2Y269 R275 S276Y269-C273 HydrophobicContact CD1-CB 4.09Å; Y269-C273 HydrophobicContact CE1-CB 3.71Å; Y269-C273 HydrophobicContact CE2-CB 4.47Å; Y269-C273 VanDerWaalsContact O-CB 3.31Å; Y269-C273 WeakPolarHBondContact O-CB 3.37Å; Y269-C273 PolarHBondContact O-N 3.34Å; C273-R275 VanDerWaalsContact C-N 3.33Å; C273-R275 PolarHBondContact O-N 2.95Å; C273-R275 VanDerWaalsContact O-N 3.14Å; C273-S276 WeakPolarHBondContact O-CB 3.42Å; C273-S276 PolarHBondContact O-N 3.35Å; C273-S276 PolarHBondContact O-OG 3.13Å
274K70.9Confident80.9Confident196 Ų19669.4 Ų69.485%0.85236%0.357SS*.THydrogen-bonded Turntrans44.847.6173.3-61.9-176.9178.9178.50114.8L272 S276L272-K274 VanDerWaalsContact C-N 3.26Å; L272-K274 PolarHBondContact O-N 3.23Å; L272-K274 VanDerWaalsContact O-N 3.17Å; K274-S276 VanDerWaalsContact C-N 3.3Å; K274-S276 PolarHBondContact O-N 3.46Å
275R62.3Low80.7Confident225 Ų22573.8 Ų73.885%0.84938%0.377SS*.THydrogen-bonded Turntrans65.713-178.8-54.4-179.8175.4176-1.6117M270 C273M270-R275 PolarHBondContact O-N 3.36Å; C273-R275 VanDerWaalsContact C-N 3.33Å; C273-R275 PolarHBondContact O-N 2.95Å; C273-R275 VanDerWaalsContact O-N 3.14Å
276S70.8Confident80.9Confident68 Ų6873.8 Ų73.848%0.47638%0.377SS..PPolyproline II helixtrans-57.6150.6166.5-67.50000111.8C273 K274C273-S276 WeakPolarHBondContact O-CB 3.42Å; C273-S276 PolarHBondContact O-N 3.35Å; C273-S276 PolarHBondContact O-OG 3.13Å; K274-S276 VanDerWaalsContact C-N 3.3Å; K274-S276 PolarHBondContact O-N 3.46Å
277S73.6Confident81.1Confident100 Ų10071.6 Ų71.670%0.69937%0.368SS*.PPolyproline II helixtrans-65137.3172.143.20000110.9Y269Y269-S277 WeakPolarHBondContact CE1-O 3.28Å
278P80.1Confident81.3Confident26 Ų2671.2 Ų71.217%0.16936%0.363CS..PPolyproline II helixtrans-73.9132.7177.227.5-32.9000111R266 Y269 L282 Y283R266-P278 HydrophobicContact CG-CG 4.36Å; Y269-P278 HydrophobicContact CD1-CB 3.7Å; Y269-P278 VanDerWaalsContact CE1-CA 3.5Å; Y269-P278 HydrophobicContact CE1-CB 4.11Å; Y269-P278 HydrophobicContact CG-CB 3.97Å; P278-L282 HydrophobicContact CB-CD2 3.7Å; P278-Y283 HydrophobicContact CB-CE2 4.05Å; P278-Y283 WeakPolarHBondContact CB-OH 3.48Å; P278-Y283 HydrophobicContact CG-CE2 4.09Å; P278-Y283 WeakPolarHBondContact CG-OH 3.33Å
279P83.1Confident81.8Confident56 Ų5670.9 Ų70.936%0.36436%0.36SS..PPolyproline II helixtrans-69.9153.1175.131.1-36000110.9Y269 S281 L282Y269-P279 HydrophobicContact CE2-CG 4.49Å; Y269-P279 VanDerWaalsContact CZ-CD 3.5Å; Y269-P279 WeakPolarHBondContact OH-CD 3.49Å; P279-S281 PolarHBondContact O-N 3.3Å; P279-S281 VanDerWaalsContact O-N 3.12Å; P279-L282 VanDerWaalsContact O-CB 3.31Å; P279-L282 WeakPolarHBondContact O-CB 3.42Å; P279-L282 PolarHBondContact O-N 2.92Å; P279-L282 VanDerWaalsContact O-N 3.08Å
280L81.7Confident82.3Confident59 Ų5968.8 Ų68.831%0.30935%0.352SS..G310 helixtrans-61.3-22.5179.2-64.9179.9000113.3Q153 L282 Y283 G284 L287Q153-L280 HydrophobicContact CB-CD1 4.16Å; Q153-L280 HydrophobicContact CG-CD1 4.44Å; L280-L282 VanDerWaalsContact C-N 3.25Å; L280-L282 PolarHBondContact O-N 2.93Å; L280-Y283 PolarHBondContact O-N 3.06Å; L280-Y283 VanDerWaalsContact O-N 3.13Å; L280-G284 PolarHBondContact O-N 3.37Å; L280-L287 HydrophobicContact CB-CD1 3.98Å; L280-L287 HydrophobicContact CD2-CD1 4.22Å
281S78.4Confident82.8Confident96 Ų9666 Ų6667%0.67134%0.338SS*.G310 helixtrans-59.8-32.117450.10000113.2P279 Y283 G284P279-S281 PolarHBondContact O-N 3.3Å; P279-S281 VanDerWaalsContact O-N 3.12Å; S281-Y283 PolarHBondContact O-N 3.48Å; S281-G284 PolarHBondContact O-N 3.21Å
282L82.6Confident83.4Confident38 Ų3859.5 Ų59.520%0.19931%0.31CS..G310 helixtrans-57.5-33.3175.1-179.962.8000112.2W229 L265 Y269 P278 P279 L280W229-L282 HydrophobicContact CZ2-CD1 3.85Å; L265-L282 HydrophobicContact CB-CD2 4.41Å; L265-L282 HydrophobicContact CB-CG 4.44Å; L265-L282 HydrophobicContact CD2-CD1 4.14Å; Y269-L282 HydrophobicContact CD2-CD2 3.92Å; Y269-L282 HydrophobicContact CG-CD2 3.94Å; P278-L282 HydrophobicContact CB-CD2 3.7Å; P279-L282 VanDerWaalsContact O-CB 3.31Å; P279-L282 WeakPolarHBondContact O-CB 3.42Å; P279-L282 PolarHBondContact O-N 2.92Å; P279-L282 VanDerWaalsContact O-N 3.08Å; L280-L282 VanDerWaalsContact C-N 3.25Å; L280-L282 PolarHBondContact O-N 2.93Å
283Y86.2Confident84.1Confident6 Ų656.6 Ų56.62%0.02430%0.295CS..G310 helixtrans-102.211.5-179.8-45.6-70.6000112.3Y262 L265 R266 P278 L280 S281 Q285 L286 L287Y262-Y283 AromaticContact CD2-CD1 3.36Å; Y262-Y283 HydrophobicContact CD2-CD1 3.36Å; Y262-Y283 HydrophobicContact CD2-CD2 4.37Å; Y262-Y283 AromaticContact CD2-CE1 3.54Å; Y262-Y283 HydrophobicContact CD2-CE1 3.54Å; Y262-Y283 AromaticContact CD2-CG 3.8Å; Y262-Y283 HydrophobicContact CD2-CG 3.8Å; Y262-Y283 AromaticContact CE2-CD1 3.66Å; Y262-Y283 HydrophobicContact CE2-CD1 3.66Å; Y262-Y283 AromaticContact CE2-CD2 3.84Å; Y262-Y283 HydrophobicContact CE2-CD2 3.84Å; Y262-Y283 AromaticContact CE2-CE1 3.65Å; Y262-Y283 HydrophobicContact CE2-CE1 3.65Å; Y262-Y283 AromaticContact CE2-CE2 3.84Å; Y262-Y283 HydrophobicContact CE2-CE2 3.84Å; Y262-Y283 AromaticContact CE2-CG 3.74Å; Y262-Y283 HydrophobicContact CE2-CG 3.74Å; Y262-Y283 AromaticContact CE2-CZ 3.74Å; Y262-Y283 HydrophobicContact CG-CD1 4.21Å; Y262-Y283 HydrophobicContact CG-CE1 4.1Å; L265-Y283 HydrophobicContact CB-CD1 4.48Å; L265-Y283 HydrophobicContact CB-CE1 4.01Å; L265-Y283 HydrophobicContact CD1-CD1 4.28Å; R266-Y283 WeakPolarHBondContact CA-OH 3.49Å; R266-Y283 VanDerWaalsContact CB-OH 3.28Å; R266-Y283 WeakPolarHBondContact CB-OH 3.07Å; P278-Y283 HydrophobicContact CB-CE2 4.05Å; P278-Y283 WeakPolarHBondContact CB-OH 3.48Å; P278-Y283 HydrophobicContact CG-CE2 4.09Å; P278-Y283 WeakPolarHBondContact CG-OH 3.33Å; L280-Y283 PolarHBondContact O-N 3.06Å; L280-Y283 VanDerWaalsContact O-N 3.13Å; S281-Y283 PolarHBondContact O-N 3.48Å; Y283-Q285 VanDerWaalsContact C-N 3.29Å; Y283-Q285 PolarHBondContact O-N 3.38Å; Y283-Q285 VanDerWaalsContact O-N 3.12Å; Y283-L286 WeakPolarHBondContact O-CA 3.41Å; Y283-L286 WeakPolarHBondContact O-CB 3.38Å; Y283-L286 PolarHBondContact O-N 3.02Å; Y283-L287 PolarHBondContact O-N 3.5Å
284G84.9Confident85.1Confident15 Ų1554.6 Ų54.616%0.15528%0.281CS..Hα-helixtrans-51.1-43.9-167.200000114.2L280 S281 L287 W288L280-G284 PolarHBondContact O-N 3.37Å; S281-G284 PolarHBondContact O-N 3.21Å; G284-L287 PolarHBondContact O-N 2.85Å; G284-W288 PolarHBondContact O-N 3.25Å
285Q87.7Confident86.2Confident143 Ų14345.4 Ų45.467%0.66824%0.242SC*.Hα-helixtrans-66.4-39.1177.8-62.6-62.8-27.900113Y283 R289Y283-Q285 VanDerWaalsContact C-N 3.29Å; Y283-Q285 PolarHBondContact O-N 3.38Å; Y283-Q285 VanDerWaalsContact O-N 3.12Å; Q285-R289 PolarHBondContact O-N 3.42Å
286L91.4Very high87.7Confident7 Ų734.7 Ų34.74%0.03720%0.202CC..Hα-helixtrans-66.8-43173-71.9173.7000110.9L131 L251 C258 L261 Y283 W288 R289 E290L131-L286 HydrophobicContact CD1-CB 4.11Å; L131-L286 HydrophobicContact CD1-CD1 4.37Å; L251-L286 HydrophobicContact CD1-CD2 4.2Å; L251-L286 HydrophobicContact CD2-CD2 4.43Å; C258-L286 HydrophobicContact CB-CD2 4.12Å; L261-L286 HydrophobicContact CD2-CD1 4.24Å; L261-L286 HydrophobicContact CD2-CD2 4.28Å; L261-L286 HydrophobicContact CD2-CG 4.44Å; L261-L286 HydrophobicContact CG-CD1 4.2Å; Y283-L286 WeakPolarHBondContact O-CA 3.41Å; Y283-L286 WeakPolarHBondContact O-CB 3.38Å; Y283-L286 PolarHBondContact O-N 3.02Å; L286-W288 VanDerWaalsContact C-N 3.35Å; L286-W288 PolarHBondContact O-N 3.42Å; L286-R289 WeakPolarHBondContact O-CB 3.36Å; L286-R289 PolarHBondContact O-N 2.95Å; L286-E290 VanDerWaalsContact O-CG 3.3Å; L286-E290 WeakPolarHBondContact O-CG 3.5Å; L286-E290 PolarHBondContact O-N 2.74Å
287L92.8Very high88.7Confident1 Ų131.6 Ų31.61%0.00518%0.18CC..Hα-helixtrans-65.6-35.1179-66.5177.3000112.4Y132 F149 F152 V156 L280 Y283 G284 E290 F291Y132-L287 HydrophobicContact CE2-CD2 4.47Å; F149-L287 HydrophobicContact CE2-CB 4.05Å; F149-L287 HydrophobicContact CZ-CB 3.91Å; F152-L287 HydrophobicContact CE1-CB 4.21Å; F152-L287 HydrophobicContact CE1-CD2 4.22Å; F152-L287 WeakPolarHBondContact CE1-O 3.48Å; V156-L287 HydrophobicContact CG1-CD2 4.03Å; L280-L287 HydrophobicContact CB-CD1 3.98Å; L280-L287 HydrophobicContact CD2-CD1 4.22Å; Y283-L287 PolarHBondContact O-N 3.5Å; G284-L287 PolarHBondContact O-N 2.85Å; L287-E290 PolarHBondContact O-N 3.08Å; L287-F291 VanDerWaalsContact O-CB 3.26Å; L287-F291 WeakPolarHBondContact O-CB 3.44Å; L287-F291 PolarHBondContact O-N 2.85Å
288W92.3Very high89.5Confident73 Ų7331.2 Ų31.228%0.27717%0.17SC..Hα-helixtrans-64.1-40.6172-85.3115.6000112.3F149 G284 L286 F291 F292F149-W288 HydrophobicContact CB-CH2 3.6Å; F149-W288 HydrophobicContact CB-CZ2 3.99Å; F149-W288 HydrophobicContact CB-CZ3 3.92Å; F149-W288 HydrophobicContact CD1-CD2 4.46Å; F149-W288 AromaticContact CD1-CE2 3.82Å; F149-W288 HydrophobicContact CD1-CH2 4.19Å; F149-W288 AromaticContact CD1-CZ2 3.67Å; F149-W288 HydrophobicContact CD1-CZ2 3.67Å; F149-W288 AromaticContact CD2-CD2 3.73Å; F149-W288 HydrophobicContact CD2-CD2 3.73Å; F149-W288 AromaticContact CD2-CE2 3.94Å; F149-W288 AromaticContact CD2-CE3 3.7Å; F149-W288 HydrophobicContact CD2-CE3 3.7Å; F149-W288 HydrophobicContact CD2-CG 4.38Å; F149-W288 HydrophobicContact CD2-CH2 4.12Å; F149-W288 HydrophobicContact CD2-CZ2 4.13Å; F149-W288 AromaticContact CD2-CZ3 3.9Å; F149-W288 HydrophobicContact CD2-CZ3 3.9Å; F149-W288 HydrophobicContact CE1-CD2 4.37Å; F149-W288 AromaticContact CE1-CE2 3.81Å; F149-W288 HydrophobicContact CE1-CZ2 4.13Å; F149-W288 AromaticContact CE1-NE1 3.72Å; F149-W288 HydrophobicContact CE2-CB 4.41Å; F149-W288 AromaticContact CE2-CD2 3.66Å; F149-W288 HydrophobicContact CE2-CD2 3.66Å; F149-W288 AromaticContact CE2-CE2 3.95Å; F149-W288 HydrophobicContact CE2-CE3 4.04Å; F149-W288 AromaticContact CE2-CG 3.83Å; F149-W288 HydrophobicContact CE2-CG 3.83Å; F149-W288 HydrophobicContact CG-CD2 4.15Å; F149-W288 AromaticContact CG-CE2 3.87Å; F149-W288 HydrophobicContact CG-CE3 4.17Å; F149-W288 AromaticContact CG-CH2 3.72Å; F149-W288 HydrophobicContact CG-CH2 3.72Å; F149-W288 AromaticContact CG-CZ2 3.67Å; F149-W288 HydrophobicContact CG-CZ2 3.67Å; F149-W288 AromaticContact CG-CZ3 3.97Å; F149-W288 HydrophobicContact CG-CZ3 3.97Å; F149-W288 AromaticContact CZ-CD1 3.82Å; F149-W288 AromaticContact CZ-CD2 3.99Å; F149-W288 HydrophobicContact CZ-CD2 3.99Å; F149-W288 AromaticContact CZ-CE2 3.87Å; F149-W288 AromaticContact CZ-CG 3.96Å; F149-W288 HydrophobicContact CZ-CG 3.96Å; F149-W288 AromaticContact CZ-NE1 3.74Å; G284-W288 PolarHBondContact O-N 3.25Å; L286-W288 VanDerWaalsContact C-N 3.35Å; L286-W288 PolarHBondContact O-N 3.42Å; W288-F291 AromaticContact CE3-CD1 3.76Å; W288-F291 HydrophobicContact CE3-CD1 3.76Å; W288-F291 HydrophobicContact CE3-CE1 4.26Å; W288-F291 HydrophobicContact CE3-CG 4.49Å; W288-F291 AromaticContact CZ3-CD1 3.81Å; W288-F291 HydrophobicContact CZ3-CD1 3.81Å; W288-F291 AromaticContact CZ3-CE1 3.84Å; W288-F291 HydrophobicContact CZ3-CE1 3.84Å; W288-F291 WeakPolarHBondContact O-CB 2.97Å; W288-F291 PolarHBondContact O-N 3.32Å; W288-F292 AromaticContact CE3-CE2 3.92Å; W288-F292 HydrophobicContact CE3-CE2 3.92Å; W288-F292 AromaticContact CE3-CZ 3.95Å; W288-F292 HydrophobicContact CE3-CZ 3.95Å; W288-F292 HydrophobicContact CZ3-CZ 4.11Å; W288-F292 WeakPolarHBondContact O-CD2 3.27Å; W288-F292 PolarHBondContact O-N 2.81Å; W288-F292 VanDerWaalsContact O-N 3.1Å
289R94.3Very high90.1Very high23 Ų2330.8 Ų30.89%0.08717%0.166CC..Hα-helixtrans-61-50.5172.5176.7179.8177.5-83.615.1111.5H129 L251 Q285 L286 F291 F292 Y293 V388H129-R289 PolarHBondContact CE1-NH2 2.95Å; H129-R289 PolarHBondContact ND1-NH2 3.4Å; H129-R289 PolarHBondContact NE2-NH2 3.17Å; H129-R289 VanDerWaalsContact NE2-NH2 3.15Å; H129-R289 VanDerWaalsContact O-CZ 3.32Å; H129-R289 PolarHBondContact O-NH1 3.21Å; H129-R289 PolarHBondContact O-NH2 3.47Å; L251-R289 PolarHBondContact O-NH2 3Å; Q285-R289 PolarHBondContact O-N 3.42Å; L286-R289 WeakPolarHBondContact O-CB 3.36Å; L286-R289 PolarHBondContact O-N 2.95Å; R289-F291 VanDerWaalsContact C-N 3.3Å; R289-F291 PolarHBondContact O-N 3.34Å; R289-F292 PolarHBondContact O-N 3.21Å; R289-Y293 HydrophobicContact CG-CD2 3.81Å; R289-Y293 HydrophobicContact CG-CE2 3.72Å; R289-Y293 VanDerWaalsContact O-CD2 3.28Å; R289-Y293 WeakPolarHBondContact O-CD2 3.4Å; R289-Y293 PolarHBondContact O-N 2.82Å; R289-V388 HydrophobicContact CG-CG2 4.14Å
290E94.3Very high90.4Very high0 Ų032.2 Ų32.20%018%0.175CC..Hα-helixtrans-60.4-37.7177.1-61.1-75116.300112.1T130 L131 Y132 F152 L286 L287 T294T130-E290 WeakPolarHBondContact CA-OE1 3.13Å; T130-E290 WeakPolarHBondContact CB-OE1 3.29Å; T130-E290 WeakPolarHBondContact CB-OE2 3.47Å; L131-E290 HydrophobicContact CB-CG 4.31Å; L131-E290 WeakPolarHBondContact CB-OE2 3.33Å; L131-E290 HydrophobicContact CD1-CG 4.22Å; L131-E290 HydrophobicContact CG-CG 4.36Å; L131-E290 PolarHBondContact N-OE1 3.45Å; L131-E290 PolarHBondContact N-OE2 3.07Å; Y132-E290 PolarHBondContact N-OE2 3.33Å; F152-E290 HydrophobicContact CE1-CB 4.36Å; F152-E290 HydrophobicContact CE2-CB 4.45Å; F152-E290 HydrophobicContact CZ-CB 3.61Å; L286-E290 VanDerWaalsContact O-CG 3.3Å; L286-E290 WeakPolarHBondContact O-CG 3.5Å; L286-E290 PolarHBondContact O-N 2.74Å; L287-E290 PolarHBondContact O-N 3.08Å; E290-T294 WeakPolarHBondContact O-CB 3.46Å; E290-T294 PolarHBondContact O-N 2.99Å; E290-T294 PolarHBondContact O-OG1 3.27Å
291F94.8Very high90.9Very high2 Ų232.3 Ų32.31%0.00918%0.176CC..Hα-helixtrans-60.3-52.5176.1168.5-102.8000111.9P146 F149 F152 L287 W288 R289 Y293 T294 A295 F401P146-F291 WeakPolarHBondContact O-CE2 3.38Å; F149-F291 HydrophobicContact CD2-CB 4Å; F149-F291 HydrophobicContact CD2-CD1 4.39Å; F149-F291 HydrophobicContact CD2-CD2 4.25Å; F149-F291 AromaticContact CD2-CG 3.97Å; F149-F291 HydrophobicContact CD2-CG 3.97Å; F149-F291 HydrophobicContact CE2-CB 4.24Å; F152-F291 HydrophobicContact CB-CD2 3.64Å; F152-F291 HydrophobicContact CB-CE2 4.26Å; F152-F291 HydrophobicContact CD1-CB 3.97Å; F152-F291 HydrophobicContact CD1-CD2 4.36Å; F152-F291 HydrophobicContact CD2-CB 4.28Å; F152-F291 HydrophobicContact CD2-CD2 4.15Å; F152-F291 HydrophobicContact CE1-CB 4.09Å; F152-F291 HydrophobicContact CE2-CB 4.38Å; F152-F291 HydrophobicContact CG-CB 4.09Å; F152-F291 AromaticContact CG-CD2 3.81Å; F152-F291 HydrophobicContact CG-CD2 3.81Å; F152-F291 HydrophobicContact CG-CG 4.45Å; F152-F291 HydrophobicContact CZ-CB 4.31Å; L287-F291 VanDerWaalsContact O-CB 3.26Å; L287-F291 WeakPolarHBondContact O-CB 3.44Å; L287-F291 PolarHBondContact O-N 2.85Å; W288-F291 AromaticContact CE3-CD1 3.76Å; W288-F291 HydrophobicContact CE3-CD1 3.76Å; W288-F291 HydrophobicContact CE3-CE1 4.26Å; W288-F291 HydrophobicContact CE3-CG 4.49Å; W288-F291 AromaticContact CZ3-CD1 3.81Å; W288-F291 HydrophobicContact CZ3-CD1 3.81Å; W288-F291 AromaticContact CZ3-CE1 3.84Å; W288-F291 HydrophobicContact CZ3-CE1 3.84Å; W288-F291 WeakPolarHBondContact O-CB 2.97Å; W288-F291 PolarHBondContact O-N 3.32Å; R289-F291 VanDerWaalsContact C-N 3.3Å; R289-F291 PolarHBondContact O-N 3.34Å; F291-Y293 PolarHBondContact O-N 2.86Å; F291-T294 PolarHBondContact O-N 3.17Å; F291-A295 PolarHBondContact O-N 2.68Å; F291-F401 HydrophobicContact CE1-CD1 4.08Å; F291-F401 HydrophobicContact CE1-CE1 4.25Å; F291-F401 HydrophobicContact CE1-CG 4.39Å; F291-F401 AromaticContact CZ-CD1 3.65Å; F291-F401 HydrophobicContact CZ-CD1 3.65Å; F291-F401 AromaticContact CZ-CE1 3.92Å; F291-F401 HydrophobicContact CZ-CE1 3.92Å; F291-F401 HydrophobicContact CZ-CG 4.31Å
292F95Very high91.6Very high11 Ų1127.7 Ų27.75%0.04814%0.144CC..Hα-helixtrans-65.1-39.2179.5-69.1-53.9000112.3W288 R289 T294 A295 A296 V388 G391 F401W288-F292 AromaticContact CE3-CE2 3.92Å; W288-F292 HydrophobicContact CE3-CE2 3.92Å; W288-F292 AromaticContact CE3-CZ 3.95Å; W288-F292 HydrophobicContact CE3-CZ 3.95Å; W288-F292 HydrophobicContact CZ3-CZ 4.11Å; W288-F292 WeakPolarHBondContact O-CD2 3.27Å; W288-F292 PolarHBondContact O-N 2.81Å; W288-F292 VanDerWaalsContact O-N 3.1Å; R289-F292 PolarHBondContact O-N 3.21Å; F292-T294 PolarHBondContact O-N 3.39Å; F292-A295 PolarHBondContact O-N 3.32Å; F292-A296 WeakPolarHBondContact O-CB 3.22Å; F292-A296 PolarHBondContact O-N 2.95Å; F292-V388 HydrophobicContact CB-CG2 4.38Å; F292-V388 HydrophobicContact CD2-CG1 4.21Å; F292-G391 VanDerWaalsContact CE1-O 3.32Å; F292-G391 WeakPolarHBondContact CE1-O 3.41Å; F292-F401 HydrophobicContact CD1-CE2 4.5Å; F292-F401 HydrophobicContact CE1-CD2 4.4Å; F292-F401 HydrophobicContact CE1-CE2 4.35Å
293Y95.2Very high92.1Very high0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-59.5-43.6170.9-86.5-59.4000112.7P101 E102 H129 T130 R289 F291 A295 A296 T297 D385 S387 V388P101-Y293 HydrophobicContact CB-CD1 4.34Å; P101-Y293 HydrophobicContact CG-CD1 3.53Å; P101-Y293 HydrophobicContact CG-CE1 3.69Å; P101-Y293 HydrophobicContact CG-CG 4.28Å; E102-Y293 HydrophobicContact CG-CD1 4.32Å; E102-Y293 HydrophobicContact CG-CE1 3.75Å; H129-Y293 AromaticContact CD2-CZ 3.87Å; H129-Y293 PolarHBondContact CD2-OH 3.47Å; H129-Y293 VanDerWaalsContact CD2-OH 3.29Å; H129-Y293 AromaticContact NE2-CZ 3.76Å; H129-Y293 PolarHBondContact NE2-OH 2.85Å; T130-Y293 HydrophobicContact CG2-CD2 4.16Å; T130-Y293 HydrophobicContact CG2-CG 4.38Å; R289-Y293 HydrophobicContact CG-CD2 3.81Å; R289-Y293 HydrophobicContact CG-CE2 3.72Å; R289-Y293 VanDerWaalsContact O-CD2 3.28Å; R289-Y293 WeakPolarHBondContact O-CD2 3.4Å; R289-Y293 PolarHBondContact O-N 2.82Å; F291-Y293 PolarHBondContact O-N 2.86Å; Y293-A295 VanDerWaalsContact C-N 3.27Å; Y293-A295 PolarHBondContact O-N 3.45Å; Y293-A296 PolarHBondContact O-N 3.14Å; Y293-T297 VanDerWaalsContact O-CB 3.27Å; Y293-T297 WeakPolarHBondContact O-CB 3.39Å; Y293-T297 PolarHBondContact O-N 3.1Å; Y293-D385 PolarHBondContact OH-OD1 3.11Å; Y293-D385 PolarHBondContact OH-OD2 3.27Å; Y293-S387 WeakPolarHBondContact CD1-OG 3.43Å; Y293-V388 HydrophobicContact CE2-CG2 4.45Å
294T94.9Very high92.4Very high1 Ų134.1 Ų34.11%0.00617%0.168CC..Hα-helixtrans-64.9-32177-500000111.9I137 I138 P145 P146 E290 F291 F292 T297I137-T294 HydrophobicContact CB-CG2 4.02Å; I137-T294 HydrophobicContact CG2-CG2 3.78Å; I138-T294 HydrophobicContact CD1-CG2 4.21Å; I138-T294 HydrophobicContact CG1-CG2 3.82Å; P145-T294 WeakPolarHBondContact CB-O 3.19Å; P146-T294 HydrophobicContact CG-CG2 4.38Å; E290-T294 WeakPolarHBondContact O-CB 3.46Å; E290-T294 PolarHBondContact O-N 2.99Å; E290-T294 PolarHBondContact O-OG1 3.27Å; F291-T294 PolarHBondContact O-N 3.17Å; F292-T294 PolarHBondContact O-N 3.39Å; T294-T297 WeakPolarHBondContact O-CG2 3.38Å
295A92.9Very high92.8Very high4 Ų434.5 Ų34.53%0.03317%0.166CC..Hα-helixtrans-76.9-32.5177.400000113.3F291 F292 Y293 F302 F401F291-A295 PolarHBondContact O-N 2.68Å; F292-A295 PolarHBondContact O-N 3.32Å; Y293-A295 VanDerWaalsContact C-N 3.27Å; Y293-A295 PolarHBondContact O-N 3.45Å; A295-F302 HydrophobicContact CB-CE2 3.7Å; A295-F302 HydrophobicContact CB-CZ 3.93Å; A295-F302 WeakPolarHBondContact O-CE2 3.3Å; A295-F401 HydrophobicContact CB-CE1 3.96Å; A295-F401 HydrophobicContact CB-CZ 3.77Å
296A93.8Very high93Very high0 Ų034.8 Ų34.80%017%0.167CC..Hα-helixtrans-90.1-29.3-174.900000114.2P103 F292 Y293 N298 N299 F302 W386P103-A296 WeakPolarHBondContact CG-O 3.42Å; F292-A296 WeakPolarHBondContact O-CB 3.22Å; F292-A296 PolarHBondContact O-N 2.95Å; Y293-A296 PolarHBondContact O-N 3.14Å; A296-N298 PolarHBondContact O-N 3.18Å; A296-N299 PolarHBondContact O-N 2.77Å; A296-F302 HydrophobicContact CB-CB 4.35Å; A296-F302 HydrophobicContact CB-CD1 3.58Å; A296-F302 HydrophobicContact CB-CD2 4Å; A296-F302 HydrophobicContact CB-CE1 3.69Å; A296-F302 HydrophobicContact CB-CE2 4.09Å; A296-F302 HydrophobicContact CB-CG 3.74Å; A296-F302 HydrophobicContact CB-CZ 3.95Å; A296-W386 HydrophobicContact CB-CE3 4.47Å; A296-W386 HydrophobicContact CB-CZ3 3.85Å
297T92.7Very high92.8Very high3 Ų337.6 Ų37.62%0.01820%0.198CC..THydrogen-bonded Turntrans-51.5-29.1-172.4-173.10000115.5P101 K106 L134 I138 Y293 T294P101-T297 WeakPolarHBondContact O-CA 3.41Å; P101-T297 PolarHBondContact O-OG1 3.43Å; K106-T297 VanDerWaalsContact CE-O 3.31Å; K106-T297 WeakPolarHBondContact CE-O 3.35Å; K106-T297 WeakPolarHBondContact CE-OG1 3.36Å; K106-T297 PolarHBondContact NZ-O 3.26Å; K106-T297 PolarHBondContact NZ-OG1 2.96Å; L134-T297 HydrophobicContact CB-CG2 4.45Å; I138-T297 HydrophobicContact CD1-CG2 3.43Å; I138-T297 VanDerWaalsContact CD1-CG2 3.43Å; Y293-T297 VanDerWaalsContact O-CB 3.27Å; Y293-T297 WeakPolarHBondContact O-CB 3.39Å; Y293-T297 PolarHBondContact O-N 3.1Å; T294-T297 WeakPolarHBondContact O-CG2 3.38Å
298N91.4Very high92.8Very high92 Ų9237.7 Ų37.749%0.49220%0.199SC..THydrogen-bonded Turntrans-118.117-178.8-69.8-2.1000113.5K106 A296K106-N298 PolarHBondContact NZ-OD1 3.04Å; A296-N298 PolarHBondContact O-N 3.18Å
299N91.6Very high92.6Very high16 Ų1638.8 Ų38.89%0.08622%0.215CC..  trans-128.696.5179.2-1792.5000110.3A296 N301 F302 N308A296-N299 PolarHBondContact O-N 2.77Å; N299-N301 PolarHBondContact O-N 3.23Å; N299-N301 PolarHBondContact OD1-N 2.96Å; N299-N301 VanDerWaalsContact OD1-N 3.13Å; N299-F302 HydrophobicContact CB-CB 4.14Å; N299-F302 HydrophobicContact CB-CD2 4.24Å; N299-F302 VanDerWaalsContact O-CB 3.28Å; N299-F302 WeakPolarHBondContact O-CB 3.09Å; N299-F302 PolarHBondContact O-N 3.36Å; N299-F302 PolarHBondContact OD1-N 3.2Å; N299-N308 PolarHBondContact ND2-OD1 2.63Å
300P90.3Very high92.3Very high86 Ų8639.5 Ų39.556%0.55822%0.22SC*.THydrogen-bonded Turntrans-61.1-23.3178.2-24.635.4000114.4P103P103-P300 HydrophobicContact CB-CB 4.41Å; P103-P300 HydrophobicContact CB-CG 4.45Å
301N92.3Very high92.2Very high61 Ų6140 Ų4033%0.32622%0.223SC..THydrogen-bonded Turntrans-96.412.9-178.4-67.952.9000112.7N299 D303 R304 N308N299-N301 PolarHBondContact O-N 3.23Å; N299-N301 PolarHBondContact OD1-N 2.96Å; N299-N301 VanDerWaalsContact OD1-N 3.13Å; N301-D303 PolarHBondContact O-N 3.42Å; N301-D303 VanDerWaalsContact O-N 3.08Å; N301-R304 PolarHBondContact O-N 3.13Å; N301-N308 HydrophobicContact CB-CB 4.28Å; N301-N308 WeakPolarHBondContact O-CB 3.4Å; N301-N308 PolarHBondContact O-ND2 2.78Å
302F92.9Very high92Very high0 Ų041.2 Ų41.20%023%0.231CC..THydrogen-bonded Turntrans-60.5-22.1-173.5-168-95.8000113.9A295 A296 N299 N308 I310 W386 S387 A390 M394 F401A295-F302 HydrophobicContact CB-CE2 3.7Å; A295-F302 HydrophobicContact CB-CZ 3.93Å; A295-F302 WeakPolarHBondContact O-CE2 3.3Å; A296-F302 HydrophobicContact CB-CB 4.35Å; A296-F302 HydrophobicContact CB-CD1 3.58Å; A296-F302 HydrophobicContact CB-CD2 4Å; A296-F302 HydrophobicContact CB-CE1 3.69Å; A296-F302 HydrophobicContact CB-CE2 4.09Å; A296-F302 HydrophobicContact CB-CG 3.74Å; A296-F302 HydrophobicContact CB-CZ 3.95Å; N299-F302 HydrophobicContact CB-CB 4.14Å; N299-F302 HydrophobicContact CB-CD2 4.24Å; N299-F302 VanDerWaalsContact O-CB 3.28Å; N299-F302 WeakPolarHBondContact O-CB 3.09Å; N299-F302 PolarHBondContact O-N 3.36Å; N299-F302 PolarHBondContact OD1-N 3.2Å; F302-N308 PolarHBondContact O-ND2 3.44Å; F302-I310 HydrophobicContact CD2-CD1 3.87Å; F302-I310 HydrophobicContact CE2-CD1 3.5Å; F302-I310 HydrophobicContact CZ-CD1 4.47Å; F302-W386 HydrophobicContact CB-CH2 3.67Å; F302-W386 HydrophobicContact CB-CZ2 4.28Å; F302-W386 HydrophobicContact CB-CZ3 4.21Å; F302-S387 WeakPolarHBondContact CE1-O 3.25Å; F302-A390 HydrophobicContact CD1-CB 3.72Å; F302-A390 HydrophobicContact CE1-CB 4.03Å; F302-M394 HydrophobicContact CD1-CE 3.74Å; F302-M394 HydrophobicContact CD2-CE 4.03Å; F302-M394 HydrophobicContact CE1-CE 3.59Å; F302-M394 HydrophobicContact CE2-CE 3.91Å; F302-M394 HydrophobicContact CG-CE 3.95Å; F302-M394 HydrophobicContact CZ-CE 3.69Å; F302-M394 WeakPolarHBondContact O-CE 3.14Å; F302-F401 HydrophobicContact CE2-CE2 4.37Å; F302-F401 AromaticContact CE2-CZ 3.85Å; F302-F401 HydrophobicContact CE2-CZ 3.85Å; F302-F401 HydrophobicContact CZ-CE2 4.05Å; F302-F401 AromaticContact CZ-CZ 3.83Å; F302-F401 HydrophobicContact CZ-CZ 3.83Å
303D92.4Very high91.8Very high31 Ų3145 Ų4517%0.16625%0.249CC..THydrogen-bonded Turntrans-91.74.3178.766.3-18.8000114.7N301 M374 W386 A390N301-D303 PolarHBondContact O-N 3.42Å; N301-D303 VanDerWaalsContact O-N 3.08Å; D303-M374 HydrophobicContact CB-CE 3.85Å; D303-M374 HydrophobicContact CB-SD 3.88Å; D303-M374 WeakPolarHBondContact O-CE 3.3Å; D303-W386 HydrophobicContact CB-CZ2 3.8Å; D303-W386 VanDerWaalsContact CB-NE1 3.29Å; D303-W386 VanDerWaalsContact CG-NE1 3.27Å; D303-W386 PolarHBondContact OD2-NE1 3.44Å; D303-A390 HydrophobicContact CB-CB 4.29Å
304R92.9Very high91.5Very high147 Ų14745.1 Ų45.156%0.55525%0.25SC*.  trans-124.3159.5180-63173.9-159.6-153.11.5111.4N301 N308 W370 E371N301-R304 PolarHBondContact O-N 3.13Å; R304-N308 WeakPolarHBondContact O-CB 3.28Å; R304-N308 PolarHBondContact O-ND2 3.21Å; R304-W370 WeakPolarHBondContact O-CH2 3.39Å; R304-W370 WeakPolarHBondContact O-CZ2 3.35Å; R304-E371 WeakPolarHBondContact CA-OE1 3.49Å
305M92.4Very high91.4Very high24 Ų2449.6 Ų49.612%0.11828%0.278CS..SBendtrans-80.9-52.9167.6-175.2172.768.200110.6N308 Q313 I314 W370 E371M305-N308 WeakPolarHBondContact O-CB 3.14Å; M305-N308 PolarHBondContact O-N 3.45Å; M305-Q313 PolarHBondContact O-NE2 2.99Å; M305-Q313 PolarHBondContact O-OE1 3.27Å; M305-I314 WeakPolarHBondContact CE-O 3.41Å; M305-I314 HydrophobicContact SD-CB 4.4Å; M305-I314 PolarHBondContact SD-N 3.47Å; M305-I314 VanDerWaalsContact SD-O 3.41Å; M305-W370 HydrophobicContact CB-CZ2 4.3Å; M305-E371 PolarHBondContact N-OE1 3.04Å
306E91.7Very high91.5Very high149 Ų14950.7 Ų50.770%0.69628%0.282SS*.THydrogen-bonded Turntrans-70.2135.8-176.2-67.3-173.8177.300112.8N308E306-N308 PolarHBondContact O-N 3.47Å; E306-N308 VanDerWaalsContact O-N 3.14Å
307G88.6Confident91.5Very high66 Ų6654 Ų5468%0.6830%0.299SS*.THydrogen-bonded Turntrans71.2-4.3-177.200000115.3P309G307-P309 WeakPolarHBondContact O-CD 3.33Å
308N91.5Very high91.5Very high3 Ų363.1 Ų63.12%0.01634%0.342CS..  trans-83111.6-179.8-177.1-7.3000110.9N299 N301 F302 R304 M305 E306 I310 C311N299-N308 PolarHBondContact ND2-OD1 2.63Å; N301-N308 HydrophobicContact CB-CB 4.28Å; N301-N308 WeakPolarHBondContact O-CB 3.4Å; N301-N308 PolarHBondContact O-ND2 2.78Å; F302-N308 PolarHBondContact O-ND2 3.44Å; R304-N308 WeakPolarHBondContact O-CB 3.28Å; R304-N308 PolarHBondContact O-ND2 3.21Å; M305-N308 WeakPolarHBondContact O-CB 3.14Å; M305-N308 PolarHBondContact O-N 3.45Å; E306-N308 PolarHBondContact O-N 3.47Å; E306-N308 VanDerWaalsContact O-N 3.14Å; N308-I310 PolarHBondContact O-N 3.09Å; N308-I310 VanDerWaalsContact O-N 3.14Å; N308-I310 VanDerWaalsContact OD1-CG1 3.29Å; N308-I310 WeakPolarHBondContact OD1-CG1 3.11Å; N308-I310 PolarHBondContact OD1-N 3.18Å; N308-C311 HydrophobicContact CB-CB 3.82Å; N308-C311 PolarHBondContact O-N 3.01Å; N308-C311 VanDerWaalsContact O-N 3.1Å
309P88.3Confident91.6Very high96 Ų9662.4 Ų62.462%0.62334%0.338SS*.THydrogen-bonded Turntrans-68.5-18.1-168.127.5-36.5000114.6G307G307-P309 WeakPolarHBondContact O-CD 3.33Å
310I89.3Confident91.7Very high37 Ų3766.6 Ų66.619%0.1937%0.366CS..THydrogen-bonded Turntrans-96.7-12.1177.467.4165.8000113.2L147 F302 N308 M394 A400 F401L147-I310 HydrophobicContact CD1-CG2 3.86Å; L147-I310 HydrophobicContact CD2-CG2 3.8Å; F302-I310 HydrophobicContact CD2-CD1 3.87Å; F302-I310 HydrophobicContact CE2-CD1 3.5Å; F302-I310 HydrophobicContact CZ-CD1 4.47Å; N308-I310 PolarHBondContact O-N 3.09Å; N308-I310 VanDerWaalsContact O-N 3.14Å; N308-I310 VanDerWaalsContact OD1-CG1 3.29Å; N308-I310 WeakPolarHBondContact OD1-CG1 3.11Å; N308-I310 PolarHBondContact OD1-N 3.18Å; I310-M394 HydrophobicContact CD1-CE 4.38Å; I310-A400 HydrophobicContact CD1-CB 4.38Å; I310-A400 HydrophobicContact CG1-CB 4.42Å; I310-A400 WeakPolarHBondContact O-CB 3.37Å; I310-F401 HydrophobicContact CD1-CE1 4.04Å; I310-F401 HydrophobicContact CD1-CE2 4.01Å; I310-F401 HydrophobicContact CD1-CZ 3.46Å; I310-F401 VanDerWaalsContact CD1-CZ 3.46Å
311C91.4Very high91.9Very high10 Ų1068.5 Ų68.57%0.06837%0.368CS..SBendtrans-89.1128.6-176.5-167.50000111.1N308 Q313 M394N308-C311 HydrophobicContact CB-CB 3.82Å; N308-C311 PolarHBondContact O-N 3.01Å; N308-C311 VanDerWaalsContact O-N 3.1Å; C311-Q313 PolarHBondContact O-N 3.09Å; C311-Q313 PolarHBondContact O-NE2 3.08Å; C311-M394 HydrophobicContact CB-SD 4.28Å
312V90.3Very high92Very high28 Ų2865.9 Ų65.917%0.1735%0.354CS..  trans-63.2131.6164.3178.90000108.7I314 S399 V483 L487V312-I314 HydrophobicContact CB-CD1 4.45Å; V312-I314 HydrophobicContact CB-CG1 4.2Å; V312-I314 HydrophobicContact CG1-CD1 4.2Å; V312-I314 HydrophobicContact CG1-CG1 3.67Å; V312-I314 PolarHBondContact O-N 2.86Å; V312-S399 WeakPolarHBondContact CB-O 3.23Å; V312-S399 WeakPolarHBondContact CG2-O 3.14Å; V312-S399 PolarHBondContact N-O 3.19Å; V312-V483 HydrophobicContact CG1-CG1 4.11Å; V312-L487 HydrophobicContact CB-CD1 4.49Å; V312-L487 HydrophobicContact CG1-CD1 3.34Å; V312-L487 HydrophobicContact CG1-CD2 4.46Å; V312-L487 HydrophobicContact CG2-CD1 4.34Å
313Q91Very high92.1Very high91 Ų9167.8 Ų67.843%0.42536%0.364SS..  trans-82.1110173.6-51.7-56.7-67.100107.9M305 C311M305-Q313 PolarHBondContact O-NE2 2.99Å; M305-Q313 PolarHBondContact O-OE1 3.27Å; C311-Q313 PolarHBondContact O-N 3.09Å; C311-Q313 PolarHBondContact O-NE2 3.08Å
314I89.9Confident92.2Very high3 Ų368.4 Ų68.42%0.01537%0.374CS..  trans-115.7130.1-176.2-55.2-173.7000108M305 V312 W316 W367 M480 V483M305-I314 WeakPolarHBondContact CE-O 3.41Å; M305-I314 HydrophobicContact SD-CB 4.4Å; M305-I314 PolarHBondContact SD-N 3.47Å; M305-I314 VanDerWaalsContact SD-O 3.41Å; V312-I314 HydrophobicContact CB-CD1 4.45Å; V312-I314 HydrophobicContact CB-CG1 4.2Å; V312-I314 HydrophobicContact CG1-CD1 4.2Å; V312-I314 HydrophobicContact CG1-CG1 3.67Å; V312-I314 PolarHBondContact O-N 2.86Å; I314-W316 VanDerWaalsContact C-N 3.26Å; I314-W316 HydrophobicContact CB-CD2 4.18Å; I314-W316 HydrophobicContact CB-CG 4.5Å; I314-W316 HydrophobicContact CB-CZ2 4.07Å; I314-W316 HydrophobicContact CD1-CH2 4.11Å; I314-W316 HydrophobicContact CD1-CZ2 3.66Å; I314-W316 HydrophobicContact CG1-CZ2 4.36Å; I314-W316 HydrophobicContact CG2-CD2 3.83Å; I314-W316 HydrophobicContact CG2-CE3 3.99Å; I314-W316 HydrophobicContact CG2-CG 4.42Å; I314-W316 HydrophobicContact CG2-CH2 4.14Å; I314-W316 HydrophobicContact CG2-CZ2 3.98Å; I314-W316 HydrophobicContact CG2-CZ3 4.14Å; I314-W316 PolarHBondContact O-N 2.86Å; I314-W367 HydrophobicContact CG2-CH2 4.32Å; I314-W367 HydrophobicContact CG2-CZ2 3.71Å; I314-M480 HydrophobicContact CD1-CE 3.67Å; I314-M480 HydrophobicContact CD1-SD 3.98Å; I314-V483 HydrophobicContact CG1-CG1 4.32Å
315P92.7Very high92.3Very high94 Ų9465.1 Ų65.161%0.6136%0.363SS*.  trans-73.183174.730.8-33.9000109.7W367 V483P315-W367 PolarHBondContact O-NE1 3.14Å; P315-V483 HydrophobicContact CG-CG2 4.44Å
316W95.1Very high92.5Very high28 Ų2864 Ų6411%0.10636%0.358CS..  trans-75.4146.6174.4-61.1119.3000111.5I314 R363 W367 W370I314-W316 VanDerWaalsContact C-N 3.26Å; I314-W316 HydrophobicContact CB-CD2 4.18Å; I314-W316 HydrophobicContact CB-CG 4.5Å; I314-W316 HydrophobicContact CB-CZ2 4.07Å; I314-W316 HydrophobicContact CD1-CH2 4.11Å; I314-W316 HydrophobicContact CD1-CZ2 3.66Å; I314-W316 HydrophobicContact CG1-CZ2 4.36Å; I314-W316 HydrophobicContact CG2-CD2 3.83Å; I314-W316 HydrophobicContact CG2-CE3 3.99Å; I314-W316 HydrophobicContact CG2-CG 4.42Å; I314-W316 HydrophobicContact CG2-CH2 4.14Å; I314-W316 HydrophobicContact CG2-CZ2 3.98Å; I314-W316 HydrophobicContact CG2-CZ3 4.14Å; I314-W316 PolarHBondContact O-N 2.86Å; W316-R363 HydrophobicContact CH2-CB 4.37Å; W316-W367 AromaticContact CE3-CD2 3.85Å; W316-W367 HydrophobicContact CE3-CD2 3.85Å; W316-W367 AromaticContact CE3-CE2 3.85Å; W316-W367 HydrophobicContact CE3-CE3 4.38Å; W316-W367 HydrophobicContact CE3-CG 4.01Å; W316-W367 HydrophobicContact CE3-CZ2 4.36Å; W316-W367 AromaticContact CE3-NE1 3.98Å; W316-W367 AromaticContact CZ3-CD2 3.8Å; W316-W367 HydrophobicContact CZ3-CD2 3.8Å; W316-W367 AromaticContact CZ3-CE2 3.98Å; W316-W367 AromaticContact CZ3-CE3 3.84Å; W316-W367 HydrophobicContact CZ3-CE3 3.84Å; W316-W367 HydrophobicContact CZ3-CG 4.33Å; W316-W367 HydrophobicContact CZ3-CH2 4.25Å; W316-W367 HydrophobicContact CZ3-CZ2 4.21Å; W316-W367 HydrophobicContact CZ3-CZ3 4.08Å; W316-W370 AromaticContact NE1-CD1 3.7Å
317D93.5Very high92.6Very high69 Ų6957.4 Ų57.437%0.36933%0.329SS..  trans-80.9133.4179.7-71.2-37.3000110.8N319 W367 R479D317-N319 PolarHBondContact O-N 3.22Å; D317-W367 PolarHBondContact N-O 2.94Å; D317-R479 IonicContact OD1-NH2 2.68Å; D317-R479 IonicContact OD2-CZ 2.7Å; D317-R479 IonicContact OD2-NH1 3.91Å; D317-R479 PolarHBondContact OD2-NH1 3.35Å; D317-R479 IonicContact OD2-NH2 3.83Å; D317-R479 PolarHBondContact OD2-NH2 3.18Å; D317-R479 VanDerWaalsContact OD2-NH2 3.08Å
318Q92.6Very high92.7Very high195 Ų19558.5 Ų58.591%0.91132%0.316SS*.  trans-8894.7174.7-66.5-169.61100110.6
319N93.5Very high92.9Very high76 Ų7658.9 Ų58.941%0.40632%0.321SS..  trans-126.290.8178.5-169.6-28.3000112D317 E321 A322 L323 I368D317-N319 PolarHBondContact O-N 3.22Å; N319-E321 VanDerWaalsContact C-N 3.33Å; N319-E321 PolarHBondContact O-N 2.6Å; N319-E321 PolarHBondContact OD1-N 3.2Å; N319-A322 HydrophobicContact CB-CB 3.99Å; N319-A322 VanDerWaalsContact CG-CB 3.42Å; N319-A322 PolarHBondContact O-N 2.99Å; N319-A322 WeakPolarHBondContact OD1-CB 3.34Å; N319-A322 PolarHBondContact OD1-N 3.43Å; N319-L323 PolarHBondContact O-N 3.23Å; N319-I368 HydrophobicContact CB-CD1 4.33Å
320P93.6Very high93.2Very high104 Ų10461 Ų6168%0.67532%0.317SS*.Hα-helixtrans-61.6-35.4-179.3-24.935.3000114.1L323 A324P320-L323 PolarHBondContact O-N 2.78Å; P320-A324 WeakPolarHBondContact O-CB 3.44Å; P320-A324 PolarHBondContact O-N 2.61Å
321E94.5Very high93.5Very high127 Ų12759.2 Ų59.259%0.59331%0.308SS*.Hα-helixtrans-66.3-43.9177.6-73.1-168-153.100112.3N319 L323 A324 K325N319-E321 VanDerWaalsContact C-N 3.33Å; N319-E321 PolarHBondContact O-N 2.6Å; N319-E321 PolarHBondContact OD1-N 3.2Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-A324 PolarHBondContact O-N 2.8Å; E321-K325 WeakPolarHBondContact O-CB 3.31Å; E321-K325 WeakPolarHBondContact O-CD 3.31Å; E321-K325 VanDerWaalsContact O-CG 3.28Å; E321-K325 WeakPolarHBondContact O-CG 3.41Å; E321-K325 PolarHBondContact O-N 3.17Å; E321-K325 IonicContact OE2-NZ 3.72Å; E321-K325 PolarHBondContact OE2-NZ 3.49Å
322A94.1Very high93.5Very high6 Ų658.8 Ų58.85%0.0531%0.305CS..Hα-helixtrans-68-37.5178.800000111.2N319 K325 W326 L366 I368 M466N319-A322 HydrophobicContact CB-CB 3.99Å; N319-A322 VanDerWaalsContact CG-CB 3.42Å; N319-A322 PolarHBondContact O-N 2.99Å; N319-A322 WeakPolarHBondContact OD1-CB 3.34Å; N319-A322 PolarHBondContact OD1-N 3.43Å; A322-K325 PolarHBondContact O-N 3.46Å; A322-W326 WeakPolarHBondContact O-CB 3.41Å; A322-W326 PolarHBondContact O-N 2.9Å; A322-L366 HydrophobicContact CB-CD1 4.4Å; A322-I368 HydrophobicContact CB-CD1 3.85Å; A322-M466 HydrophobicContact CB-CE 3.51Å
323L94.9Very high93.8Very high39 Ų3957.7 Ų57.720%0.20430%0.298CS..Hα-helixtrans-61.3-44.6171.1-179.763.8000111.8N319 P320 E321 W326 A327 L361 I368N319-L323 PolarHBondContact O-N 3.23Å; P320-L323 PolarHBondContact O-N 2.78Å; E321-L323 VanDerWaalsContact C-N 3.34Å; L323-W326 HydrophobicContact CD1-CE3 4.17Å; L323-W326 PolarHBondContact O-N 2.97Å; L323-A327 VanDerWaalsContact O-CB 3.3Å; L323-A327 WeakPolarHBondContact O-CB 3.45Å; L323-A327 PolarHBondContact O-N 3.22Å; L323-L361 HydrophobicContact CD1-CD1 4.03Å; L323-L361 HydrophobicContact CD1-CD2 4.39Å; L323-I368 HydrophobicContact CB-CD1 4.11Å; L323-I368 HydrophobicContact CD1-CG2 4.46Å
324A94.3Very high94Very high44 Ų4453.4 Ų53.436%0.36428%0.277SS..Hα-helixtrans-63.4-48.3177.100000111.7P320 E321 W326 A327 E328P320-A324 WeakPolarHBondContact O-CB 3.44Å; P320-A324 PolarHBondContact O-N 2.61Å; E321-A324 PolarHBondContact O-N 2.8Å; A324-W326 VanDerWaalsContact C-N 3.27Å; A324-W326 PolarHBondContact O-N 2.93Å; A324-A327 PolarHBondContact O-N 3.01Å; A324-E328 WeakPolarHBondContact O-CB 3.24Å; A324-E328 WeakPolarHBondContact O-CG 3.32Å; A324-E328 PolarHBondContact O-N 2.98Å
325K95.2Very high94.3Very high78 Ų7853.3 Ų53.334%0.33928%0.277SS..Hα-helixtrans-56.6-39.8175.7-73.1159.5-176.8157.90111.8E321 A322 G329 R330 M466E321-K325 WeakPolarHBondContact O-CB 3.31Å; E321-K325 WeakPolarHBondContact O-CD 3.31Å; E321-K325 VanDerWaalsContact O-CG 3.28Å; E321-K325 WeakPolarHBondContact O-CG 3.41Å; E321-K325 PolarHBondContact O-N 3.17Å; E321-K325 IonicContact OE2-NZ 3.72Å; E321-K325 PolarHBondContact OE2-NZ 3.49Å; A322-K325 PolarHBondContact O-N 3.46Å; K325-G329 PolarHBondContact O-N 2.86Å; K325-R330 CarbonylContact O-C 3.57Å; K325-R330 WeakPolarHBondContact O-CA 3.43Å; K325-R330 PolarHBondContact O-N 3.47Å; K325-M466 HydrophobicContact CB-CE 4.08Å; K325-M466 HydrophobicContact CB-SD 4.31Å; K325-M466 HydrophobicContact CD-CE 4.29Å
326W96.4Very high94.5Very high0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-68.3-50.9173.3176.284.3000112.7A322 L323 A324 E328 G329 T331 M340 V357 F360 L361 L366 V376 F377 W393A322-W326 WeakPolarHBondContact O-CB 3.41Å; A322-W326 PolarHBondContact O-N 2.9Å; L323-W326 HydrophobicContact CD1-CE3 4.17Å; L323-W326 PolarHBondContact O-N 2.97Å; A324-W326 VanDerWaalsContact C-N 3.27Å; A324-W326 PolarHBondContact O-N 2.93Å; W326-E328 VanDerWaalsContact C-N 3.29Å; W326-E328 PolarHBondContact O-N 3Å; W326-G329 PolarHBondContact O-N 3.32Å; W326-T331 HydrophobicContact CB-CG2 4.23Å; W326-M340 HydrophobicContact CD2-CE 3.93Å; W326-M340 HydrophobicContact CE3-CE 3.86Å; W326-M340 HydrophobicContact CH2-CE 3.58Å; W326-M340 HydrophobicContact CH2-SD 4.25Å; W326-M340 HydrophobicContact CZ2-CE 3.64Å; W326-M340 HydrophobicContact CZ2-SD 3.76Å; W326-M340 HydrophobicContact CZ3-CE 3.7Å; W326-M340 WeakPolarHBondContact O-CG 3.3Å; W326-V357 HydrophobicContact CZ2-CB 4.07Å; W326-V357 HydrophobicContact CZ2-CG2 4.12Å; W326-V357 PolarHBondContact NE1-O 3.24Å; W326-V357 VanDerWaalsContact NE1-O 3.08Å; W326-F360 AromaticContact CD1-CD1 3.82Å; W326-L361 HydrophobicContact CB-CD1 4.29Å; W326-L361 HydrophobicContact CD2-CB 4.25Å; W326-L361 HydrophobicContact CD2-CD1 3.88Å; W326-L361 HydrophobicContact CD2-CD2 4.14Å; W326-L361 HydrophobicContact CD2-CG 4.32Å; W326-L361 HydrophobicContact CE3-CD1 4.06Å; W326-L361 HydrophobicContact CE3-CD2 3.94Å; W326-L361 HydrophobicContact CG-CD1 3.98Å; W326-L361 HydrophobicContact CH2-CD2 3.85Å; W326-L361 HydrophobicContact CZ2-CB 4.24Å; W326-L361 HydrophobicContact CZ2-CD2 4.04Å; W326-L361 HydrophobicContact CZ3-CD2 3.79Å; W326-L366 HydrophobicContact CB-CD1 4.09Å; W326-V376 HydrophobicContact CH2-CB 4.42Å; W326-V376 HydrophobicContact CH2-CG1 4.33Å; W326-V376 HydrophobicContact CZ3-CB 3.81Å; W326-V376 HydrophobicContact CZ3-CG1 3.78Å; W326-V376 HydrophobicContact CZ3-CG2 4.05Å; W326-F377 HydrophobicContact CH2-CD1 4.23Å; W326-F377 HydrophobicContact CH2-CE1 4Å; W326-F377 HydrophobicContact CZ2-CE1 4.26Å; W326-W393 AromaticContact CH2-CH2 3.77Å; W326-W393 HydrophobicContact CH2-CH2 3.77Å; W326-W393 AromaticContact CH2-CZ2 4Å; W326-W393 HydrophobicContact CH2-CZ2 4Å; W326-W393 AromaticContact CZ2-CH2 3.83Å; W326-W393 HydrophobicContact CZ2-CH2 3.83Å; W326-W393 HydrophobicContact CZ2-CZ2 4.34Å
327A93.3Very high94.5Very high12 Ų1247.6 Ų47.610%0.09924%0.243CC..Hα-helixtrans-62.5-34.5-177.100000112.9L323 A324 R344 V376L323-A327 VanDerWaalsContact O-CB 3.3Å; L323-A327 WeakPolarHBondContact O-CB 3.45Å; L323-A327 PolarHBondContact O-N 3.22Å; A324-A327 PolarHBondContact O-N 3.01Å; A327-R344 PolarHBondContact O-NE 3.32Å; A327-R344 PolarHBondContact O-NH2 2.87Å; A327-V376 HydrophobicContact CB-CG1 4.1Å; A327-V376 HydrophobicContact CB-CG2 4.05Å
328E92.5Very high94.6Very high88 Ų8844.3 Ų44.341%0.41123%0.226SC..THydrogen-bonded Turntrans-84.6-9.5179.5-66.5-174.313900114.3A324 W326 R330A324-E328 WeakPolarHBondContact O-CB 3.24Å; A324-E328 WeakPolarHBondContact O-CG 3.32Å; A324-E328 PolarHBondContact O-N 2.98Å; W326-E328 VanDerWaalsContact C-N 3.29Å; W326-E328 PolarHBondContact O-N 3Å; E328-R330 HydrophobicContact CB-CG 4.09Å; E328-R330 IonicContact OE1-NH1 3.07Å; E328-R330 PolarHBondContact OE1-NH1 2.95Å; E328-R330 WeakPolarHBondContact OE2-CD 3.37Å; E328-R330 IonicContact OE2-CZ 2.76Å; E328-R330 IonicContact OE2-NE 3.55Å; E328-R330 IonicContact OE2-NH1 3.8Å; E328-R330 PolarHBondContact OE2-NH1 2.96Å
329G94.4Very high94.8Very high11 Ų1135 Ų3511%0.11318%0.182CC..THydrogen-bonded Turntrans71.247.1-173.700000112.9K325 W326 D337K325-G329 PolarHBondContact O-N 2.86Å; W326-G329 PolarHBondContact O-N 3.32Å; G329-D337 WeakPolarHBondContact CA-OD1 3.35Å; G329-D337 WeakPolarHBondContact O-CB 3.35Å
330R94.5Very high94.9Very high141 Ų14131.4 Ų31.453%0.53216%0.163SC..  trans-129.533.7-178.3-60.7176.9177164.1-5.9111.9K325 E328 G332 D337 P463K325-R330 CarbonylContact O-C 3.57Å; K325-R330 WeakPolarHBondContact O-CA 3.43Å; K325-R330 PolarHBondContact O-N 3.47Å; E328-R330 HydrophobicContact CB-CG 4.09Å; E328-R330 IonicContact OE1-NH1 3.07Å; E328-R330 PolarHBondContact OE1-NH1 2.95Å; E328-R330 WeakPolarHBondContact OE2-CD 3.37Å; E328-R330 IonicContact OE2-CZ 2.76Å; E328-R330 IonicContact OE2-NE 3.55Å; E328-R330 IonicContact OE2-NH1 3.8Å; E328-R330 PolarHBondContact OE2-NH1 2.96Å; R330-G332 VanDerWaalsContact C-N 3.31Å; R330-D337 PolarHBondContact N-OD1 3.45Å; R330-P463 HydrophobicContact CB-CG 4.46Å
331T94.9Very high94.9Very high0 Ų027.7 Ų27.70%014%0.138CC..SBendtrans-75.7-19.6-179.765.90000113.5W326 F333 I336 D337 F360 M466W326-T331 HydrophobicContact CB-CG2 4.23Å; T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact OG1-N 3.5Å; T331-F333 VanDerWaalsContact OG1-N 3.17Å; T331-I336 HydrophobicContact CG2-CG2 3.94Å; T331-D337 VanDerWaalsContact CB-OD1 3.31Å; T331-D337 WeakPolarHBondContact CB-OD1 3.47Å; T331-D337 WeakPolarHBondContact CG2-OD1 3.29Å; T331-D337 PolarHBondContact N-OD1 3.23Å; T331-D337 PolarHBondContact N-OD2 3.47Å; T331-D337 VanDerWaalsContact OG1-CG 3.28Å; T331-D337 PolarHBondContact OG1-OD1 3.09Å; T331-D337 PolarHBondContact OG1-OD2 3.15Å; T331-F360 HydrophobicContact CG2-CE1 3.74Å; T331-F360 HydrophobicContact CG2-CZ 4.31Å; T331-M466 HydrophobicContact CG2-SD 3.75Å; T331-M466 WeakPolarHBondContact O-CG 3.35Å; T331-M466 PolarHBondContact O-N 3.02Å
332G93.4Very high94.8Very high0 Ų021.6 Ų21.60%011%0.11CC..SBendtrans81.85.6-171.300000113.4R330 D337 W444 Y462 P463R330-G332 VanDerWaalsContact C-N 3.31Å; G332-D337 PolarHBondContact N-OD2 3.38Å; G332-W444 WeakPolarHBondContact O-CZ3 3.48Å; G332-Y462 VanDerWaalsContact CA-OH 3.31Å; G332-Y462 WeakPolarHBondContact CA-OH 3.41Å; G332-Y462 PolarHBondContact O-OH 3.44Å; G332-P463 WeakPolarHBondContact CA-O 3.35Å
333F95.8Very high94.7Very high6 Ų621.3 Ų21.33%0.02611%0.108CC..  trans-107.6102.5170.7-69.1-89.8000109.8T331 W335 I336 D337 F360 P411 V412 W444 Y462 P465 I467 H469T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact OG1-N 3.5Å; T331-F333 VanDerWaalsContact OG1-N 3.17Å; F333-W335 PolarHBondContact O-N 3.46Å; F333-I336 HydrophobicContact CB-CB 4.22Å; F333-I336 HydrophobicContact CB-CG1 4.08Å; F333-I336 PolarHBondContact O-N 2.92Å; F333-D337 PolarHBondContact O-N 3.36Å; F333-F360 AromaticContact CD2-CE2 3.68Å; F333-F360 HydrophobicContact CD2-CE2 3.68Å; F333-F360 AromaticContact CD2-CZ 3.61Å; F333-F360 HydrophobicContact CD2-CZ 3.61Å; F333-F360 AromaticContact CE2-CE2 3.85Å; F333-F360 HydrophobicContact CE2-CE2 3.85Å; F333-F360 AromaticContact CE2-CZ 3.87Å; F333-F360 HydrophobicContact CE2-CZ 3.87Å; F333-F360 HydrophobicContact CG-CE2 4.16Å; F333-F360 HydrophobicContact CG-CZ 4.43Å; F333-F360 HydrophobicContact CZ-CE2 4.47Å; F333-P411 HydrophobicContact CB-CB 4.37Å; F333-P411 HydrophobicContact CD1-CB 3.95Å; F333-P411 HydrophobicContact CD1-CG 3.67Å; F333-P411 HydrophobicContact CE1-CG 3.84Å; F333-P411 HydrophobicContact CG-CB 4.3Å; F333-P411 HydrophobicContact CG-CG 4.31Å; F333-V412 HydrophobicContact CD1-CG2 4.27Å; F333-V412 HydrophobicContact CE1-CG2 4.44Å; F333-W444 AromaticContact CD1-CH2 3.67Å; F333-W444 HydrophobicContact CD1-CH2 3.67Å; F333-W444 HydrophobicContact CD1-CZ3 4.26Å; F333-W444 AromaticContact CE1-CH2 3.84Å; F333-W444 HydrophobicContact CE1-CH2 3.84Å; F333-W444 HydrophobicContact CE1-CZ2 4.26Å; F333-Y462 VanDerWaalsContact C-OH 3.28Å; F333-Y462 PolarHBondContact N-OH 3.45Å; F333-P465 HydrophobicContact CE2-CB 3.89Å; F333-P465 HydrophobicContact CZ-CB 3.93Å; F333-I467 HydrophobicContact CE2-CG1 3.96Å; F333-I467 HydrophobicContact CZ-CG1 4.26Å; F333-H469 HydrophobicContact CE1-CB 4.33Å; F333-H469 HydrophobicContact CZ-CB 4.3Å
334P95.5Very high94.4Very high0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-57-30-169-3237.3000115.3A338 I425 I429 L432 I440 P443 Y462P334-A338 WeakPolarHBondContact O-CB 3.21Å; P334-A338 PolarHBondContact O-N 3.09Å; P334-I425 HydrophobicContact CB-CD1 3.85Å; P334-I425 HydrophobicContact CB-CG1 4.26Å; P334-I425 HydrophobicContact CB-CG2 3.83Å; P334-I429 HydrophobicContact CB-CD1 4.22Å; P334-I429 WeakPolarHBondContact O-CD1 3.43Å; P334-L432 HydrophobicContact CB-CD1 3.67Å; P334-L432 HydrophobicContact CG-CD1 3.55Å; P334-I440 WeakPolarHBondContact CB-O 3.36Å; P334-I440 WeakPolarHBondContact CG-O 3.12Å; P334-P443 HydrophobicContact CG-CG 3.72Å; P334-Y462 WeakPolarHBondContact CA-OH 3.31Å; P334-Y462 WeakPolarHBondContact CD-OH 3.49Å; P334-Y462 HydrophobicContact CG-CE1 3.93Å; P334-Y462 VanDerWaalsContact N-OH 3.12Å
335W95.4Very high94.1Very high2 Ų225.8 Ų25.81%0.00812%0.117CC..Hα-helixtrans-66.3-45.7174.5174.3-112.7000113L240 F333 I339 P411 F414 G415 T418 Y424 Y441L240-W335 HydrophobicContact CD1-CH2 3.56Å; L240-W335 HydrophobicContact CD1-CZ3 3.62Å; L240-W335 HydrophobicContact CD2-CH2 4.05Å; L240-W335 HydrophobicContact CG-CH2 4.47Å; F333-W335 PolarHBondContact O-N 3.46Å; W335-I339 HydrophobicContact CD2-CD1 4Å; W335-I339 HydrophobicContact CG-CD1 4.39Å; W335-I339 HydrophobicContact CH2-CD1 4.44Å; W335-I339 HydrophobicContact CZ2-CD1 3.83Å; W335-I339 WeakPolarHBondContact O-CD1 3.46Å; W335-I339 VanDerWaalsContact O-CG1 3.24Å; W335-I339 WeakPolarHBondContact O-CG1 3.42Å; W335-I339 PolarHBondContact O-N 2.89Å; W335-P411 VanDerWaalsContact CB-O 3.24Å; W335-P411 WeakPolarHBondContact CB-O 3.33Å; W335-F414 AromaticContact CZ2-CD1 3.78Å; W335-F414 HydrophobicContact CZ2-CD1 3.78Å; W335-F414 HydrophobicContact CZ2-CE1 4.02Å; W335-F414 AromaticContact NE1-CD1 3.77Å; W335-G415 VanDerWaalsContact CD2-CA 3.46Å; W335-T418 HydrophobicContact CH2-CG2 4.27Å; W335-Y424 HydrophobicContact CE3-CD1 4.11Å; W335-Y424 HydrophobicContact CE3-CE1 4.31Å; W335-Y424 AromaticContact CZ3-CD1 3.81Å; W335-Y424 HydrophobicContact CZ3-CD1 3.81Å; W335-Y424 HydrophobicContact CZ3-CE1 4.05Å; W335-Y441 HydrophobicContact CB-CD1 4.19Å; W335-Y441 HydrophobicContact CB-CE1 4.19Å; W335-Y441 HydrophobicContact CD2-CE1 4.49Å; W335-Y441 HydrophobicContact CE3-CE1 4.04Å
336I96.3Very high93.8Very high1 Ų123 Ų231%0.00510%0.104CC..Hα-helixtrans-68.4-44.9178-60-59.9000109.5T331 F333 A338 I339 M340 A356 V357 F360 P411T331-I336 HydrophobicContact CG2-CG2 3.94Å; F333-I336 HydrophobicContact CB-CB 4.22Å; F333-I336 HydrophobicContact CB-CG1 4.08Å; F333-I336 PolarHBondContact O-N 2.92Å; I336-A338 PolarHBondContact O-N 3.11Å; I336-I339 PolarHBondContact O-N 3.25Å; I336-M340 WeakPolarHBondContact O-CG 3.46Å; I336-M340 PolarHBondContact O-N 2.95Å; I336-A356 HydrophobicContact CD1-CB 4.47Å; I336-V357 HydrophobicContact CD1-CG1 4.16Å; I336-V357 HydrophobicContact CG2-CG1 4.22Å; I336-F360 HydrophobicContact CD1-CB 3.95Å; I336-F360 HydrophobicContact CD1-CD2 4.3Å; I336-F360 HydrophobicContact CD1-CG 4.15Å; I336-F360 HydrophobicContact CG1-CB 4.44Å; I336-F360 HydrophobicContact CG1-CD2 4.01Å; I336-F360 HydrophobicContact CG1-CE2 4.38Å; I336-F360 HydrophobicContact CG1-CG 4.09Å; I336-F360 HydrophobicContact CG2-CD1 4.13Å; I336-F360 HydrophobicContact CG2-CE1 4.4Å; I336-F360 HydrophobicContact CG2-CG 4.41Å; I336-P411 HydrophobicContact CD1-CB 4.1Å; I336-P411 HydrophobicContact CG1-CB 3.78Å
337D96.5Very high93.5Very high0 Ų023 Ų230%010%0.104CC..Hα-helixtrans-65.3-37.8-178.9-67.9-13.9000112G329 R330 T331 G332 F333 T341 I429 Y462G329-D337 WeakPolarHBondContact CA-OD1 3.35Å; G329-D337 WeakPolarHBondContact O-CB 3.35Å; R330-D337 PolarHBondContact N-OD1 3.45Å; T331-D337 VanDerWaalsContact CB-OD1 3.31Å; T331-D337 WeakPolarHBondContact CB-OD1 3.47Å; T331-D337 WeakPolarHBondContact CG2-OD1 3.29Å; T331-D337 PolarHBondContact N-OD1 3.23Å; T331-D337 PolarHBondContact N-OD2 3.47Å; T331-D337 VanDerWaalsContact OG1-CG 3.28Å; T331-D337 PolarHBondContact OG1-OD1 3.09Å; T331-D337 PolarHBondContact OG1-OD2 3.15Å; G332-D337 PolarHBondContact N-OD2 3.38Å; F333-D337 PolarHBondContact O-N 3.36Å; D337-T341 VanDerWaalsContact O-CB 3.23Å; D337-T341 WeakPolarHBondContact O-CB 3.46Å; D337-T341 PolarHBondContact O-N 3.24Å; D337-T341 PolarHBondContact O-OG1 3.4Å; D337-I429 HydrophobicContact CB-CD1 3.67Å; D337-Y462 PolarHBondContact OD2-OH 3.26Å
338A95.6Very high93.4Very high0 Ų023.6 Ų23.60%010%0.104CC..Hα-helixtrans-66.5-39.7174.600000112.1P334 I336 T341 Q342 Y424 I425 I429P334-A338 WeakPolarHBondContact O-CB 3.21Å; P334-A338 PolarHBondContact O-N 3.09Å; I336-A338 PolarHBondContact O-N 3.11Å; A338-T341 PolarHBondContact O-N 2.9Å; A338-Q342 PolarHBondContact O-N 2.86Å; A338-Y424 HydrophobicContact CB-CD1 3.92Å; A338-Y424 HydrophobicContact CB-CE1 3.68Å; A338-I425 HydrophobicContact CB-CG1 4.24Å; A338-I429 HydrophobicContact CB-CD1 4.19Å; A338-I429 HydrophobicContact CB-CG1 4.19Å
339I95.9Very high93.5Very high0 Ų019.4 Ų19.40%09%0.085CC..Hα-helixtrans-65.6-47.1176.2-65.6164.5000111W335 I336 T341 Q342 L343 I349 A353 A356 V357 Y424W335-I339 HydrophobicContact CD2-CD1 4Å; W335-I339 HydrophobicContact CG-CD1 4.39Å; W335-I339 HydrophobicContact CH2-CD1 4.44Å; W335-I339 HydrophobicContact CZ2-CD1 3.83Å; W335-I339 WeakPolarHBondContact O-CD1 3.46Å; W335-I339 VanDerWaalsContact O-CG1 3.24Å; W335-I339 WeakPolarHBondContact O-CG1 3.42Å; W335-I339 PolarHBondContact O-N 2.89Å; I336-I339 PolarHBondContact O-N 3.25Å; I339-T341 PolarHBondContact O-N 3.39Å; I339-Q342 PolarHBondContact O-N 3.08Å; I339-L343 WeakPolarHBondContact O-CB 3.45Å; I339-L343 PolarHBondContact O-N 3.23Å; I339-I349 HydrophobicContact CG2-CB 4.34Å; I339-I349 HydrophobicContact CG2-CD1 3.53Å; I339-I349 HydrophobicContact CG2-CG2 4.07Å; I339-A353 HydrophobicContact CB-CB 4.49Å; I339-A353 HydrophobicContact CD1-CB 3.74Å; I339-A353 HydrophobicContact CG1-CB 3.85Å; I339-A353 HydrophobicContact CG2-CB 3.78Å; I339-A356 HydrophobicContact CD1-CB 4.24Å; I339-V357 HydrophobicContact CB-CG1 3.7Å; I339-V357 HydrophobicContact CD1-CG1 3.99Å; I339-V357 HydrophobicContact CG1-CG1 4.47Å; I339-V357 HydrophobicContact CG2-CG1 3.46Å; I339-V357 VanDerWaalsContact CG2-CG1 3.46Å; I339-V357 HydrophobicContact CG2-CG2 4.35Å; I339-Y424 WeakPolarHBondContact CA-OH 3.33Å; I339-Y424 HydrophobicContact CG1-CE1 3.93Å
340M95.3Very high93.3Very high0 Ų020.1 Ų20.10%09%0.085CC..Hα-helixtrans-67.2-30.3179.3-64.3-56.7-70.300111.3W326 I336 L343 R344 V357 V376W326-M340 HydrophobicContact CD2-CE 3.93Å; W326-M340 HydrophobicContact CE3-CE 3.86Å; W326-M340 HydrophobicContact CH2-CE 3.58Å; W326-M340 HydrophobicContact CH2-SD 4.25Å; W326-M340 HydrophobicContact CZ2-CE 3.64Å; W326-M340 HydrophobicContact CZ2-SD 3.76Å; W326-M340 HydrophobicContact CZ3-CE 3.7Å; W326-M340 WeakPolarHBondContact O-CG 3.3Å; I336-M340 WeakPolarHBondContact O-CG 3.46Å; I336-M340 PolarHBondContact O-N 2.95Å; M340-L343 HydrophobicContact CE-CD2 4.32Å; M340-L343 HydrophobicContact SD-CD2 4.28Å; M340-R344 VanDerWaalsContact O-CB 3.28Å; M340-R344 WeakPolarHBondContact O-CB 3.4Å; M340-R344 PolarHBondContact O-N 3.45Å; M340-V357 HydrophobicContact CG-CG1 4.14Å; M340-V357 HydrophobicContact SD-CB 3.94Å; M340-V357 HydrophobicContact SD-CG1 3.98Å; M340-V357 HydrophobicContact SD-CG2 3.96Å; M340-V376 HydrophobicContact CE-CG1 4.11Å
341T93.4Very high93Very high26 Ų2617.4 Ų17.416%0.168%0.078CC..Hα-helixtrans-70.2-43.8171.2-58.70000112.4D337 A338 I339 L343 R344 Q345 Y428D337-T341 VanDerWaalsContact O-CB 3.23Å; D337-T341 WeakPolarHBondContact O-CB 3.46Å; D337-T341 PolarHBondContact O-N 3.24Å; D337-T341 PolarHBondContact O-OG1 3.4Å; A338-T341 PolarHBondContact O-N 2.9Å; I339-T341 PolarHBondContact O-N 3.39Å; T341-L343 VanDerWaalsContact C-N 3.34Å; T341-L343 PolarHBondContact O-N 3.01Å; T341-R344 CarbonylContact O-C 3.17Å; T341-R344 PolarHBondContact O-N 3.28Å; T341-Q345 HydrophobicContact CG2-CG 4.2Å; T341-Q345 VanDerWaalsContact CG2-NE2 3.26Å; T341-Q345 WeakPolarHBondContact O-CB 3.29Å; T341-Q345 WeakPolarHBondContact O-CG 3.49Å; T341-Q345 PolarHBondContact O-N 2.94Å; T341-Y428 WeakPolarHBondContact CG2-O 3.42Å
342Q93.3Very high92.6Very high0 Ų021.4 Ų21.40%09%0.093CC..Hα-helixtrans-59.4-45.8172.7-175.7-17516.300110.7L240 A338 I339 R344 Q345 E346 I349 Y424 Y428L240-Q342 PolarHBondContact O-NE2 2.97Å; L240-Q342 PolarHBondContact O-OE1 2.67Å; A338-Q342 PolarHBondContact O-N 2.86Å; I339-Q342 PolarHBondContact O-N 3.08Å; Q342-R344 VanDerWaalsContact C-N 3.28Å; Q342-R344 PolarHBondContact O-N 2.9Å; Q342-Q345 PolarHBondContact O-N 2.92Å; Q342-E346 HydrophobicContact CG-CB 4.34Å; Q342-E346 HydrophobicContact CG-CG 4.15Å; Q342-E346 WeakPolarHBondContact CG-OE2 3.44Å; Q342-E346 PolarHBondContact NE2-OE2 3Å; Q342-E346 WeakPolarHBondContact O-CB 3.48Å; Q342-E346 PolarHBondContact O-N 2.96Å; Q342-I349 HydrophobicContact CB-CG2 3.95Å; Q342-I349 HydrophobicContact CG-CG2 3.98Å; Q342-Y424 PolarHBondContact OE1-OH 3.2Å; Q342-Y428 HydrophobicContact CB-CD1 3.99Å; Q342-Y428 HydrophobicContact CB-CD2 4.21Å; Q342-Y428 HydrophobicContact CB-CE1 3.83Å; Q342-Y428 HydrophobicContact CB-CE2 4.07Å; Q342-Y428 HydrophobicContact CB-CG 4.2Å; Q342-Y428 HydrophobicContact CG-CD1 4.47Å; Q342-Y428 HydrophobicContact CG-CE1 3.8Å; Q342-Y428 HydrophobicContact CG-CE2 4.08Å; Q342-Y428 PolarHBondContact NE2-OH 2.95Å
343L92.4Very high92.6Very high0 Ų021.4 Ų21.40%09%0.093CC..Hα-helixtrans-57.8-41.9176.2178.755.3000111.4I339 M340 T341 G347 I349 F377 L380 L381I339-L343 WeakPolarHBondContact O-CB 3.45Å; I339-L343 PolarHBondContact O-N 3.23Å; M340-L343 HydrophobicContact CE-CD2 4.32Å; M340-L343 HydrophobicContact SD-CD2 4.28Å; T341-L343 VanDerWaalsContact C-N 3.34Å; T341-L343 PolarHBondContact O-N 3.01Å; L343-G347 VanDerWaalsContact O-CA 3.31Å; L343-G347 WeakPolarHBondContact O-CA 3.41Å; L343-G347 PolarHBondContact O-N 3.09Å; L343-I349 HydrophobicContact CB-CD1 4.38Å; L343-I349 HydrophobicContact CB-CG2 3.78Å; L343-I349 HydrophobicContact CD1-CG1 4.36Å; L343-I349 HydrophobicContact CD2-CD1 4.2Å; L343-F377 HydrophobicContact CD2-CD1 3.73Å; L343-F377 HydrophobicContact CD2-CE1 3.49Å; L343-F377 VanDerWaalsContact CD2-CE1 3.49Å; L343-F377 HydrophobicContact CD2-CZ 4.21Å; L343-L380 HydrophobicContact CD1-CB 3.86Å; L343-L380 HydrophobicContact CD2-CB 4.28Å; L343-L380 HydrophobicContact CD2-CD1 4.16Å; L343-L380 HydrophobicContact CG-CB 3.77Å; L343-L380 HydrophobicContact CG-CD1 3.94Å; L343-L380 HydrophobicContact CG-CG 4.46Å; L343-L381 HydrophobicContact CD1-CB 4.05Å; L343-L381 HydrophobicContact CD1-CD1 3.61Å; L343-L381 HydrophobicContact CD1-CG 4.43Å
344R89.2Confident92.5Very high81 Ų8123.4 Ų23.431%0.30610%0.101SC..Hα-helixtrans-73.1-24.7178.2-170.8171.3-69.4-83.1-0.2114.4W49 A327 M340 T341 Q342 L380W49-R344 PolarHBondContact NE1-O 2.92Å; A327-R344 PolarHBondContact O-NE 3.32Å; A327-R344 PolarHBondContact O-NH2 2.87Å; M340-R344 VanDerWaalsContact O-CB 3.28Å; M340-R344 WeakPolarHBondContact O-CB 3.4Å; M340-R344 PolarHBondContact O-N 3.45Å; T341-R344 CarbonylContact O-C 3.17Å; T341-R344 PolarHBondContact O-N 3.28Å; Q342-R344 VanDerWaalsContact C-N 3.28Å; Q342-R344 PolarHBondContact O-N 2.9Å; R344-L380 HydrophobicContact CB-CD2 4.42Å; R344-L380 HydrophobicContact CG-CD2 4.39Å
345Q87.4Confident92.3Very high96 Ų9625 Ų2545%0.44911%0.108SC..Hα-helixtrans-98.7-33.6-178.4-71179.53.500114.4W49 T341 Q342W49-Q345 WeakPolarHBondContact CZ2-O 3.38Å; T341-Q345 HydrophobicContact CG2-CG 4.2Å; T341-Q345 VanDerWaalsContact CG2-NE2 3.26Å; T341-Q345 WeakPolarHBondContact O-CB 3.29Å; T341-Q345 WeakPolarHBondContact O-CG 3.49Å; T341-Q345 PolarHBondContact O-N 2.94Å; Q342-Q345 PolarHBondContact O-N 2.92Å
346E88.6Confident92.2Very high18 Ų1825.1 Ų25.18%0.08411%0.109CC..Hα-helixtrans-113.1-16-173.6-58.4-174.3174.700112.8V208 Q342 W348 Y428V208-E346 HydrophobicContact CG2-CG 4.19Å; Q342-E346 HydrophobicContact CG-CB 4.34Å; Q342-E346 HydrophobicContact CG-CG 4.15Å; Q342-E346 WeakPolarHBondContact CG-OE2 3.44Å; Q342-E346 PolarHBondContact NE2-OE2 3Å; Q342-E346 WeakPolarHBondContact O-CB 3.48Å; Q342-E346 PolarHBondContact O-N 2.96Å; E346-W348 PolarHBondContact O-N 3.24Å; E346-Y428 VanDerWaalsContact CD-OH 3.26Å; E346-Y428 WeakPolarHBondContact OE1-CE1 3.35Å; E346-Y428 PolarHBondContact OE1-OH 2.95Å; E346-Y428 PolarHBondContact OE2-OH 3.38Å
347G89Confident92.2Very high0 Ų025 Ų250%011%0.109CC..SBendtrans68.89.9-175.400000114.4L343 L380 L381 L382L343-G347 VanDerWaalsContact O-CA 3.31Å; L343-G347 WeakPolarHBondContact O-CA 3.41Å; L343-G347 PolarHBondContact O-N 3.09Å; G347-L380 VanDerWaalsContact CA-O 3.3Å; G347-L380 WeakPolarHBondContact CA-O 3.23Å; G347-L381 WeakPolarHBondContact O-CA 3.26Å; G347-L382 WeakPolarHBondContact O-CB 3.44Å; G347-L382 WeakPolarHBondContact O-CG 3.28Å; G347-L382 PolarHBondContact O-N 3.38Å
348W92.5Very high92.1Very high26 Ų2625 Ų2510%0.09811%0.109CC..  trans-146.2140.6178-177.792.7000110.8W209 A242 S248 E346 H350 D383W209-W348 AromaticContact CE2-CG 3.94Å; W209-W348 HydrophobicContact CH2-CD2 4.26Å; W209-W348 HydrophobicContact CH2-CG 4.3Å; W209-W348 HydrophobicContact CZ2-CB 3.85Å; W209-W348 AromaticContact CZ2-CD2 3.59Å; W209-W348 HydrophobicContact CZ2-CD2 3.59Å; W209-W348 AromaticContact CZ2-CE3 3.94Å; W209-W348 HydrophobicContact CZ2-CE3 3.94Å; W209-W348 AromaticContact CZ2-CG 3.55Å; W209-W348 HydrophobicContact CZ2-CG 3.55Å; A242-W348 HydrophobicContact CB-CE3 4.38Å; S248-W348 PolarHBondContact OG-NE1 2.65Å; E346-W348 PolarHBondContact O-N 3.24Å; W348-H350 HydrophobicContact CH2-CB 3.9Å; W348-H350 HydrophobicContact CZ3-CB 4.21Å; W348-D383 VanDerWaalsContact CD1-OD2 3.23Å; W348-D383 PolarHBondContact NE1-OD2 3.11Å
349I93.6Very high92Very high0 Ų025.1 Ų25.10%011%0.109CC..  trans-136.8149.3169.752.4168.9000110.5I339 Q342 L343 A353 R354 V357 F377 L381I339-I349 HydrophobicContact CG2-CB 4.34Å; I339-I349 HydrophobicContact CG2-CD1 3.53Å; I339-I349 HydrophobicContact CG2-CG2 4.07Å; Q342-I349 HydrophobicContact CB-CG2 3.95Å; Q342-I349 HydrophobicContact CG-CG2 3.98Å; L343-I349 HydrophobicContact CB-CD1 4.38Å; L343-I349 HydrophobicContact CB-CG2 3.78Å; L343-I349 HydrophobicContact CD1-CG1 4.36Å; L343-I349 HydrophobicContact CD2-CD1 4.2Å; I349-A353 HydrophobicContact CB-CB 4.34Å; I349-R354 HydrophobicContact CD1-CB 4.45Å; I349-R354 HydrophobicContact CD1-CG 3.7Å; I349-R354 HydrophobicContact CG1-CG 3.68Å; I349-R354 PolarHBondContact O-NE 2.72Å; I349-R354 PolarHBondContact O-NH2 2.98Å; I349-V357 HydrophobicContact CD1-CG2 4.4Å; I349-F377 HydrophobicContact CD1-CZ 3.96Å; I349-L381 HydrophobicContact CG1-CD1 4.41Å
350H91.4Very high92Very high26 Ų2625.1 Ų25.112%0.1211%0.109CC..  trans-61.8148.6179-176.8-104.5000112.2C238 L240 W348 R352 A353 R354C238-H350 PolarHBondContact SG-CE1 2.93Å; L240-H350 HydrophobicContact CD2-CB 4.4Å; W348-H350 HydrophobicContact CH2-CB 3.9Å; W348-H350 HydrophobicContact CZ3-CB 4.21Å; H350-R352 VanDerWaalsContact C-N 3.34Å; H350-R352 PolarHBondContact ND1-N 3.39Å; H350-R352 PolarHBondContact O-N 3.3Å; H350-A353 WeakPolarHBondContact O-CA 3.35Å; H350-A353 VanDerWaalsContact O-CB 3.25Å; H350-A353 WeakPolarHBondContact O-CB 3.32Å; H350-A353 PolarHBondContact O-N 3Å; H350-R354 PolarHBondContact O-N 2.89Å; H350-R354 VanDerWaalsContact O-N 3.09Å
351H87.3Confident92Very high83 Ų8325.1 Ų25.138%0.38411%0.109SC..Hα-helixtrans-57.9-41-173.369.8-86.3000113.4A353 R354 H355H351-A353 PolarHBondContact O-N 3.1Å; H351-R354 WeakPolarHBondContact O-CB 3.14Å; H351-R354 PolarHBondContact O-N 2.68Å; H351-R354 VanDerWaalsContact O-N 3.11Å; H351-H355 PolarHBondContact O-CD2 3.08Å; H351-H355 PolarHBondContact O-N 3.29Å
352R87.7Confident92.1Very high84 Ų8423.9 Ų23.932%0.31710%0.102SC..Hα-helixtrans-61.8-28174.3-64.4177.284.7-144.95.3113.3C238 H350 A356 F414C238-R352 VanDerWaalsContact SG-CD 3.56Å; H350-R352 VanDerWaalsContact C-N 3.34Å; H350-R352 PolarHBondContact ND1-N 3.39Å; H350-R352 PolarHBondContact O-N 3.3Å; R352-A356 PolarHBondContact O-N 3.08Å; R352-F414 HydrophobicContact CB-CE1 4.31Å; R352-F414 HydrophobicContact CB-CZ 4.08Å
353A91.9Very high92Very high0 Ų024.5 Ų24.50%010%0.104CC..Hα-helixtrans-74.8-41.1174.300000111.2I339 I349 H350 H351 H355 A356 V357I339-A353 HydrophobicContact CB-CB 4.49Å; I339-A353 HydrophobicContact CD1-CB 3.74Å; I339-A353 HydrophobicContact CG1-CB 3.85Å; I339-A353 HydrophobicContact CG2-CB 3.78Å; I349-A353 HydrophobicContact CB-CB 4.34Å; H350-A353 WeakPolarHBondContact O-CA 3.35Å; H350-A353 VanDerWaalsContact O-CB 3.25Å; H350-A353 WeakPolarHBondContact O-CB 3.32Å; H350-A353 PolarHBondContact O-N 3Å; H351-A353 PolarHBondContact O-N 3.1Å; A353-H355 VanDerWaalsContact C-N 3.29Å; A353-H355 PolarHBondContact O-N 3.4Å; A353-A356 PolarHBondContact O-N 2.87Å; A353-A356 VanDerWaalsContact O-N 3.15Å; A353-V357 PolarHBondContact O-N 2.8Å; A353-V357 VanDerWaalsContact O-N 3.09Å
354R93.8Very high91.9Very high48 Ų4824.5 Ų24.518%0.18110%0.104CC..Hα-helixtrans-55.1-45.3170.7-57.1176.4-161.6-157-2.5111.2I349 H350 H351 A356 V357 A358 F377 D383I349-R354 HydrophobicContact CD1-CB 4.45Å; I349-R354 HydrophobicContact CD1-CG 3.7Å; I349-R354 HydrophobicContact CG1-CG 3.68Å; I349-R354 PolarHBondContact O-NE 2.72Å; I349-R354 PolarHBondContact O-NH2 2.98Å; H350-R354 PolarHBondContact O-N 2.89Å; H350-R354 VanDerWaalsContact O-N 3.09Å; H351-R354 WeakPolarHBondContact O-CB 3.14Å; H351-R354 PolarHBondContact O-N 2.68Å; H351-R354 VanDerWaalsContact O-N 3.11Å; R354-A356 VanDerWaalsContact C-N 3.34Å; R354-A356 PolarHBondContact O-N 2.72Å; R354-V357 PolarHBondContact O-N 2.83Å; R354-A358 WeakPolarHBondContact O-CB 3.48Å; R354-A358 PolarHBondContact O-N 2.98Å; R354-F377 HydrophobicContact CB-CE2 4.06Å; R354-F377 HydrophobicContact CB-CZ 4.38Å; R354-F377 HydrophobicContact CG-CE2 3.96Å; R354-F377 HydrophobicContact CG-CZ 4.36Å; R354-D383 IonicContact CZ-OD1 3.08Å; R354-D383 VanDerWaalsContact CZ-OD1 3.23Å; R354-D383 IonicContact CZ-OD2 2.72Å; R354-D383 IonicContact NH1-OD1 3.37Å; R354-D383 PolarHBondContact NH1-OD1 3.05Å; R354-D383 IonicContact NH1-OD2 3.85Å; R354-D383 VanDerWaalsContact NH2-CG 3.32Å; R354-D383 IonicContact NH2-OD1 3.89Å; R354-D383 PolarHBondContact NH2-OD1 3.16Å; R354-D383 IonicContact NH2-OD2 2.74Å; R354-D383 PolarHBondContact NH2-OD2 2.85Å
355H91.4Very high92.1Very high35 Ų3521 Ų2116%0.1629%0.091CC..Hα-helixtrans-59-43.5177.2-70-153000112.2H351 A353 C359 W395 L396 Y409H351-H355 PolarHBondContact O-CD2 3.08Å; H351-H355 PolarHBondContact O-N 3.29Å; A353-H355 VanDerWaalsContact C-N 3.29Å; A353-H355 PolarHBondContact O-N 3.4Å; H355-C359 WeakPolarHBondContact O-CB 3.26Å; H355-C359 PolarHBondContact O-N 3.18Å; H355-W395 AromaticContact CE1-CZ3 3.71Å; H355-L396 HydrophobicContact CB-CD2 4.04Å; H355-Y409 HydrophobicContact CB-CD2 4.31Å; H355-Y409 HydrophobicContact CB-CE2 3.69Å; H355-Y409 PolarHBondContact ND1-OH 3.46Å
356A93.1Very high92.4Very high3 Ų317.3 Ų17.33%0.0258%0.075CC..Hα-helixtrans-64.7-50179.800000112.1I336 I339 R352 A353 R354 C359 F360 F414I336-A356 HydrophobicContact CD1-CB 4.47Å; I339-A356 HydrophobicContact CD1-CB 4.24Å; R352-A356 PolarHBondContact O-N 3.08Å; A353-A356 PolarHBondContact O-N 2.87Å; A353-A356 VanDerWaalsContact O-N 3.15Å; R354-A356 VanDerWaalsContact C-N 3.34Å; R354-A356 PolarHBondContact O-N 2.72Å; A356-C359 PolarHBondContact O-N 2.89Å; A356-F360 WeakPolarHBondContact O-CB 3.42Å; A356-F360 PolarHBondContact O-N 3.34Å; A356-F414 HydrophobicContact CB-CD1 4.17Å; A356-F414 HydrophobicContact CB-CE1 4.4Å
357V96.1Very high92.7Very high0 Ų016.6 Ų16.60%07%0.071CC..Hα-helixtrans-71.6-33.3-177.4-58.30000113.1W326 I336 I339 M340 I349 A353 R354 L361 F377W326-V357 HydrophobicContact CZ2-CB 4.07Å; W326-V357 HydrophobicContact CZ2-CG2 4.12Å; W326-V357 PolarHBondContact NE1-O 3.24Å; W326-V357 VanDerWaalsContact NE1-O 3.08Å; I336-V357 HydrophobicContact CD1-CG1 4.16Å; I336-V357 HydrophobicContact CG2-CG1 4.22Å; I339-V357 HydrophobicContact CB-CG1 3.7Å; I339-V357 HydrophobicContact CD1-CG1 3.99Å; I339-V357 HydrophobicContact CG1-CG1 4.47Å; I339-V357 HydrophobicContact CG2-CG1 3.46Å; I339-V357 VanDerWaalsContact CG2-CG1 3.46Å; I339-V357 HydrophobicContact CG2-CG2 4.35Å; M340-V357 HydrophobicContact CG-CG1 4.14Å; M340-V357 HydrophobicContact SD-CB 3.94Å; M340-V357 HydrophobicContact SD-CG1 3.98Å; M340-V357 HydrophobicContact SD-CG2 3.96Å; I349-V357 HydrophobicContact CD1-CG2 4.4Å; A353-V357 PolarHBondContact O-N 2.8Å; A353-V357 VanDerWaalsContact O-N 3.09Å; R354-V357 PolarHBondContact O-N 2.83Å; V357-L361 PolarHBondContact O-N 2.8Å; V357-F377 HydrophobicContact CG2-CE1 4.11Å; V357-F377 HydrophobicContact CG2-CZ 3.75Å
358A95.3Very high93.1Very high0 Ų016.9 Ų16.90%07%0.072CC..Hα-helixtrans-71.8-37.4174.800000112.5R354 T362 W393 L396R354-A358 WeakPolarHBondContact O-CB 3.48Å; R354-A358 PolarHBondContact O-N 2.98Å; A358-T362 WeakPolarHBondContact O-CB 3.41Å; A358-T362 WeakPolarHBondContact O-CG2 3.28Å; A358-T362 PolarHBondContact O-N 3.1Å; A358-T362 VanDerWaalsContact O-N 3.11Å; A358-T362 PolarHBondContact O-OG1 2.82Å; A358-W393 HydrophobicContact CB-CD2 4.48Å; A358-W393 HydrophobicContact CB-CE3 3.91Å; A358-W393 HydrophobicContact CB-CH2 3.61Å; A358-W393 HydrophobicContact CB-CZ2 4.2Å; A358-W393 HydrophobicContact CB-CZ3 3.44Å; A358-W393 VanDerWaalsContact CB-CZ3 3.44Å; A358-L396 HydrophobicContact CB-CB 4.08Å; A358-L396 HydrophobicContact CB-CD1 3.72Å; A358-L396 HydrophobicContact CB-CG 4.48Å
359C93.7Very high93.2Very high1 Ų116.2 Ų16.21%0.0077%0.072CC..Hα-helixtrans-62.3-46.3172-171.80000110.6H355 A356 T362 G364 Y409H355-C359 WeakPolarHBondContact O-CB 3.26Å; H355-C359 PolarHBondContact O-N 3.18Å; A356-C359 PolarHBondContact O-N 2.89Å; C359-T362 PolarHBondContact O-N 3.34Å; C359-G364 WeakPolarHBondContact O-CA 3.41Å; C359-G364 PolarHBondContact O-N 3.47Å; C359-Y409 HydrophobicContact CB-CD2 3.97Å; C359-Y409 PolarHBondContact SG-N 3.46Å; C359-Y409 VanDerWaalsContact SG-N 3.42Å
360F95.4Very high93.3Very high1 Ų116.2 Ų16.20%0.0047%0.072CC..Iπ-helixtrans-60.4-46.9178.3-172.8-90.8000111.8W326 T331 F333 I336 A356 T362 D365 L366 P411 M466 I467W326-F360 AromaticContact CD1-CD1 3.82Å; T331-F360 HydrophobicContact CG2-CE1 3.74Å; T331-F360 HydrophobicContact CG2-CZ 4.31Å; F333-F360 AromaticContact CD2-CE2 3.68Å; F333-F360 HydrophobicContact CD2-CE2 3.68Å; F333-F360 AromaticContact CD2-CZ 3.61Å; F333-F360 HydrophobicContact CD2-CZ 3.61Å; F333-F360 AromaticContact CE2-CE2 3.85Å; F333-F360 HydrophobicContact CE2-CE2 3.85Å; F333-F360 AromaticContact CE2-CZ 3.87Å; F333-F360 HydrophobicContact CE2-CZ 3.87Å; F333-F360 HydrophobicContact CG-CE2 4.16Å; F333-F360 HydrophobicContact CG-CZ 4.43Å; F333-F360 HydrophobicContact CZ-CE2 4.47Å; I336-F360 HydrophobicContact CD1-CB 3.95Å; I336-F360 HydrophobicContact CD1-CD2 4.3Å; I336-F360 HydrophobicContact CD1-CG 4.15Å; I336-F360 HydrophobicContact CG1-CB 4.44Å; I336-F360 HydrophobicContact CG1-CD2 4.01Å; I336-F360 HydrophobicContact CG1-CE2 4.38Å; I336-F360 HydrophobicContact CG1-CG 4.09Å; I336-F360 HydrophobicContact CG2-CD1 4.13Å; I336-F360 HydrophobicContact CG2-CE1 4.4Å; I336-F360 HydrophobicContact CG2-CG 4.41Å; A356-F360 WeakPolarHBondContact O-CB 3.42Å; A356-F360 PolarHBondContact O-N 3.34Å; F360-T362 PolarHBondContact O-N 3.26Å; F360-D365 HydrophobicContact CD1-CB 4.47Å; F360-D365 HydrophobicContact CD2-CB 3.55Å; F360-D365 WeakPolarHBondContact CD2-OD2 3.39Å; F360-D365 HydrophobicContact CE2-CB 3.8Å; F360-D365 HydrophobicContact CG-CB 3.93Å; F360-D365 HydrophobicContact CZ-CB 4.38Å; F360-D365 VanDerWaalsContact O-CB 3.29Å; F360-D365 WeakPolarHBondContact O-CB 3.32Å; F360-D365 PolarHBondContact O-N 3.39Å; F360-L366 HydrophobicContact CD1-CD1 4Å; F360-L366 HydrophobicContact CD1-CG 4.02Å; F360-L366 HydrophobicContact CE1-CD1 3.74Å; F360-L366 HydrophobicContact CE1-CD2 4.06Å; F360-L366 HydrophobicContact CE1-CG 3.78Å; F360-L366 HydrophobicContact CZ-CD2 4.38Å; F360-L366 HydrophobicContact CZ-CG 4.5Å; F360-L366 PolarHBondContact O-N 3.43Å; F360-P411 HydrophobicContact CD2-CB 4.17Å; F360-P411 HydrophobicContact CD2-CG 4.16Å; F360-P411 HydrophobicContact CE2-CB 4.4Å; F360-P411 HydrophobicContact CE2-CG 4.2Å; F360-M466 HydrophobicContact CE1-SD 4.13Å; F360-M466 HydrophobicContact CZ-SD 4.29Å; F360-I467 HydrophobicContact CE2-CD1 4.4Å; F360-I467 HydrophobicContact CZ-CD1 4.48Å
361L96.4Very high93.5Very high0 Ų017 Ų170%08%0.076CC..Iπ-helixtrans-63.5-38.5179.1-175.466000113.4L323 W326 V357 L366 W367 I368 W393L323-L361 HydrophobicContact CD1-CD1 4.03Å; L323-L361 HydrophobicContact CD1-CD2 4.39Å; W326-L361 HydrophobicContact CB-CD1 4.29Å; W326-L361 HydrophobicContact CD2-CB 4.25Å; W326-L361 HydrophobicContact CD2-CD1 3.88Å; W326-L361 HydrophobicContact CD2-CD2 4.14Å; W326-L361 HydrophobicContact CD2-CG 4.32Å; W326-L361 HydrophobicContact CE3-CD1 4.06Å; W326-L361 HydrophobicContact CE3-CD2 3.94Å; W326-L361 HydrophobicContact CG-CD1 3.98Å; W326-L361 HydrophobicContact CH2-CD2 3.85Å; W326-L361 HydrophobicContact CZ2-CB 4.24Å; W326-L361 HydrophobicContact CZ2-CD2 4.04Å; W326-L361 HydrophobicContact CZ3-CD2 3.79Å; V357-L361 PolarHBondContact O-N 2.8Å; L361-L366 HydrophobicContact CD1-CD1 4.17Å; L361-W367 PolarHBondContact O-N 3.47Å; L361-I368 HydrophobicContact CD1-CB 3.85Å; L361-I368 HydrophobicContact CD1-CD1 3.92Å; L361-I368 HydrophobicContact CD1-CG1 4.35Å; L361-I368 HydrophobicContact CD1-CG2 4.12Å; L361-I368 HydrophobicContact CG-CB 4.19Å; L361-I368 HydrophobicContact CG-CG2 4.49Å; L361-I368 PolarHBondContact O-N 3.02Å; L361-W393 HydrophobicContact CB-CZ3 4.46Å; L361-W393 HydrophobicContact CD2-CH2 3.83Å; L361-W393 HydrophobicContact CD2-CZ3 3.91Å
362T94.8Very high93.8Very high0 Ų014.6 Ų14.60%07%0.069CC..Iπ-helixtrans-102.1-118.3-169.765.60000111.7A358 C359 F360 G364 W367 W370 W393A358-T362 WeakPolarHBondContact O-CB 3.41Å; A358-T362 WeakPolarHBondContact O-CG2 3.28Å; A358-T362 PolarHBondContact O-N 3.1Å; A358-T362 VanDerWaalsContact O-N 3.11Å; A358-T362 PolarHBondContact O-OG1 2.82Å; C359-T362 PolarHBondContact O-N 3.34Å; F360-T362 PolarHBondContact O-N 3.26Å; T362-G364 PolarHBondContact O-N 3.22Å; T362-G364 VanDerWaalsContact O-N 3.09Å; T362-W367 VanDerWaalsContact O-CA 3.29Å; T362-W367 WeakPolarHBondContact O-CA 3.41Å; T362-W367 PolarHBondContact O-N 2.96Å; T362-W370 HydrophobicContact CG2-CB 3.95Å; T362-W393 HydrophobicContact CG2-CE3 4.25Å; T362-W393 HydrophobicContact CG2-CZ3 3.97Å
363R91.6Very high94.1Very high12 Ų1210.6 Ų10.65%0.0455%0.053CC..Iπ-helixtrans-65-10-172.965.9174178.589.41.8116W316 W367 L396 C398 F405 H407 C408 N476 M480W316-R363 HydrophobicContact CH2-CB 4.37Å; R363-W367 HydrophobicContact CB-CZ3 4.31Å; R363-L396 PolarHBondContact NE-O 3.34Å; R363-C398 PolarHBondContact NE-SG 3.16Å; R363-F405 PolarHBondContact NH1-O 3.43Å; R363-H407 PolarHBondContact NH1-O 3.29Å; R363-H407 PolarHBondContact NH2-O 3.3Å; R363-C408 PolarHBondContact NH1-SG 3.44Å; R363-N476 WeakPolarHBondContact O-CB 3.45Å; R363-M480 HydrophobicContact CB-CE 4.47Å
364G89.9Confident94.2Very high0 Ų010.9 Ų10.90%06%0.055CC..Iπ-helixtrans-83.1-63.818000000111.6C359 T362 S473 N476C359-G364 WeakPolarHBondContact O-CA 3.41Å; C359-G364 PolarHBondContact O-N 3.47Å; T362-G364 PolarHBondContact O-N 3.22Å; T362-G364 VanDerWaalsContact O-N 3.09Å; G364-S473 VanDerWaalsContact O-CA 3.23Å; G364-S473 WeakPolarHBondContact O-CA 3.49Å; G364-N476 PolarHBondContact O-ND2 2.91Å
365D93.1Very high94.1Very high8 Ų814.6 Ų14.64%0.0437%0.072CC..THydrogen-bonded Turntrans-128.4-57.4-160.2-76.9-77.2000113.7F360 I467 H469 N476F360-D365 HydrophobicContact CD1-CB 4.47Å; F360-D365 HydrophobicContact CD2-CB 3.55Å; F360-D365 WeakPolarHBondContact CD2-OD2 3.39Å; F360-D365 HydrophobicContact CE2-CB 3.8Å; F360-D365 HydrophobicContact CG-CB 3.93Å; F360-D365 HydrophobicContact CZ-CB 4.38Å; F360-D365 VanDerWaalsContact O-CB 3.29Å; F360-D365 WeakPolarHBondContact O-CB 3.32Å; F360-D365 PolarHBondContact O-N 3.39Å; D365-I467 HydrophobicContact CB-CD1 3.49Å; D365-I467 VanDerWaalsContact CB-CD1 3.49Å; D365-I467 WeakPolarHBondContact OD1-CD1 3.27Å; D365-H469 IonicContact OD1-CE1 3.78Å; D365-H469 IonicContact OD1-CG 3.75Å; D365-H469 IonicContact OD1-ND1 3.6Å; D365-H469 PolarHBondContact OD1-ND1 2.87Å; D365-H469 IonicContact OD2-CE1 3.37Å; D365-H469 IonicContact OD2-ND1 3.22Å; D365-H469 PolarHBondContact OD2-ND1 3.1Å; D365-N476 VanDerWaalsContact C-ND2 3.32Å; D365-N476 WeakPolarHBondContact CA-ND2 3.39Å; D365-N476 PolarHBondContact N-ND2 3.14Å; D365-N476 PolarHBondContact O-ND2 3.3Å
366L94.1Very high94.1Very high18 Ų1813.7 Ų13.79%0.0947%0.069CC..THydrogen-bonded Turntrans-91.4-15.6-171.9-56.9-176.2000115.5A322 W326 F360 L361 I368 M466 I467A322-L366 HydrophobicContact CB-CD1 4.4Å; W326-L366 HydrophobicContact CB-CD1 4.09Å; F360-L366 HydrophobicContact CD1-CD1 4Å; F360-L366 HydrophobicContact CD1-CG 4.02Å; F360-L366 HydrophobicContact CE1-CD1 3.74Å; F360-L366 HydrophobicContact CE1-CD2 4.06Å; F360-L366 HydrophobicContact CE1-CG 3.78Å; F360-L366 HydrophobicContact CZ-CD2 4.38Å; F360-L366 HydrophobicContact CZ-CG 4.5Å; F360-L366 PolarHBondContact O-N 3.43Å; L361-L366 HydrophobicContact CD1-CD1 4.17Å; L366-I368 HydrophobicContact CB-CD1 4.08Å; L366-I368 HydrophobicContact CB-CG1 4.08Å; L366-I368 HydrophobicContact CD1-CD1 4.37Å; L366-I368 PolarHBondContact O-N 3.28Å; L366-M466 HydrophobicContact CD1-CE 3.9Å; L366-M466 HydrophobicContact CD1-SD 4.18Å; L366-M466 HydrophobicContact CD2-CE 3.54Å; L366-M466 HydrophobicContact CD2-CG 4.29Å; L366-M466 HydrophobicContact CD2-SD 3.87Å; L366-M466 HydrophobicContact CG-CE 4.4Å; L366-I467 HydrophobicContact CD2-CD1 4.28Å; L366-I467 HydrophobicContact CD2-CG2 4.12Å
367W95.3Very high94Very high4 Ų413.9 Ų13.92%0.0157%0.069CC..  trans57.228.3-179.6-156.5-101.5000115.3I314 P315 W316 D317 L361 T362 R363 N476 R479 M480I314-W367 HydrophobicContact CG2-CH2 4.32Å; I314-W367 HydrophobicContact CG2-CZ2 3.71Å; P315-W367 PolarHBondContact O-NE1 3.14Å; W316-W367 AromaticContact CE3-CD2 3.85Å; W316-W367 HydrophobicContact CE3-CD2 3.85Å; W316-W367 AromaticContact CE3-CE2 3.85Å; W316-W367 HydrophobicContact CE3-CE3 4.38Å; W316-W367 HydrophobicContact CE3-CG 4.01Å; W316-W367 HydrophobicContact CE3-CZ2 4.36Å; W316-W367 AromaticContact CE3-NE1 3.98Å; W316-W367 AromaticContact CZ3-CD2 3.8Å; W316-W367 HydrophobicContact CZ3-CD2 3.8Å; W316-W367 AromaticContact CZ3-CE2 3.98Å; W316-W367 AromaticContact CZ3-CE3 3.84Å; W316-W367 HydrophobicContact CZ3-CE3 3.84Å; W316-W367 HydrophobicContact CZ3-CG 4.33Å; W316-W367 HydrophobicContact CZ3-CH2 4.25Å; W316-W367 HydrophobicContact CZ3-CZ2 4.21Å; W316-W367 HydrophobicContact CZ3-CZ3 4.08Å; D317-W367 PolarHBondContact N-O 2.94Å; L361-W367 PolarHBondContact O-N 3.47Å; T362-W367 VanDerWaalsContact O-CA 3.29Å; T362-W367 WeakPolarHBondContact O-CA 3.41Å; T362-W367 PolarHBondContact O-N 2.96Å; R363-W367 HydrophobicContact CB-CZ3 4.31Å; W367-N476 HydrophobicContact CE3-CB 3.66Å; W367-N476 HydrophobicContact CZ3-CB 3.9Å; W367-N476 WeakPolarHBondContact CZ3-O 3.43Å; W367-R479 HydrophobicContact CH2-CB 3.66Å; W367-R479 HydrophobicContact CZ2-CB 3.72Å; W367-R479 HydrophobicContact CZ3-CB 4.16Å; W367-M480 HydrophobicContact CH2-CB 4.05Å; W367-M480 HydrophobicContact CH2-SD 3.83Å; W367-M480 HydrophobicContact CZ3-CB 4.37Å; W367-M480 HydrophobicContact CZ3-SD 4.44Å
368I96Very high93.7Very high5 Ų516.7 Ų16.73%0.0268%0.083CC..  trans-88.8151178.3-60.9177.6000110N319 A322 L323 L361 L366 W370N319-I368 HydrophobicContact CB-CD1 4.33Å; A322-I368 HydrophobicContact CB-CD1 3.85Å; L323-I368 HydrophobicContact CB-CD1 4.11Å; L323-I368 HydrophobicContact CD1-CG2 4.46Å; L361-I368 HydrophobicContact CD1-CB 3.85Å; L361-I368 HydrophobicContact CD1-CD1 3.92Å; L361-I368 HydrophobicContact CD1-CG1 4.35Å; L361-I368 HydrophobicContact CD1-CG2 4.12Å; L361-I368 HydrophobicContact CG-CB 4.19Å; L361-I368 HydrophobicContact CG-CG2 4.49Å; L361-I368 PolarHBondContact O-N 3.02Å; L366-I368 HydrophobicContact CB-CD1 4.08Å; L366-I368 HydrophobicContact CB-CG1 4.08Å; L366-I368 HydrophobicContact CD1-CD1 4.37Å; L366-I368 PolarHBondContact O-N 3.28Å; I368-W370 PolarHBondContact O-N 3.04Å
369S96.3Very high93.1Very high13 Ų1319.3 Ų19.39%0.09110%0.095CC..  trans-58.7139.2179-176.30000112.5E371 S372S369-E371 PolarHBondContact O-N 3.2Å; S369-E371 WeakPolarHBondContact OG-CG 3.45Å; S369-E371 PolarHBondContact OG-N 3.37Å; S369-E371 PolarHBondContact OG-OE2 3.24Å; S369-S372 WeakPolarHBondContact O-CB 3.38Å; S369-S372 PolarHBondContact O-N 3.09Å; S369-S372 VanDerWaalsContact O-N 3.14Å
370W95.6Very high92.9Very high0 Ų019.4 Ų19.40%010%0.095CC..Hα-helixtrans-60.6-25173.762.9-97.2000112.5R304 M305 W316 T362 I368 S372 G373 M374 W393 M394 S399R304-W370 WeakPolarHBondContact O-CH2 3.39Å; R304-W370 WeakPolarHBondContact O-CZ2 3.35Å; M305-W370 HydrophobicContact CB-CZ2 4.3Å; W316-W370 AromaticContact NE1-CD1 3.7Å; T362-W370 HydrophobicContact CG2-CB 3.95Å; I368-W370 PolarHBondContact O-N 3.04Å; W370-S372 VanDerWaalsContact C-N 3.29Å; W370-S372 PolarHBondContact O-N 2.72Å; W370-G373 PolarHBondContact O-N 2.74Å; W370-M374 HydrophobicContact CZ3-SD 4.02Å; W370-M374 WeakPolarHBondContact O-CB 3.45Å; W370-M374 PolarHBondContact O-N 3.22Å; W370-W393 HydrophobicContact CB-CB 4.27Å; W370-W393 HydrophobicContact CB-CE3 4.03Å; W370-W393 HydrophobicContact CE3-CB 3.94Å; W370-M394 HydrophobicContact CD2-CG 4.04Å; W370-M394 HydrophobicContact CE3-CG 4.09Å; W370-M394 HydrophobicContact CH2-CE 4.49Å; W370-M394 HydrophobicContact CH2-CG 3.55Å; W370-M394 HydrophobicContact CH2-SD 3.92Å; W370-M394 HydrophobicContact CZ2-CG 3.48Å; W370-M394 VanDerWaalsContact CZ2-CG 3.48Å; W370-M394 HydrophobicContact CZ2-SD 3.96Å; W370-M394 HydrophobicContact CZ3-CG 3.86Å; W370-S399 VanDerWaalsContact CD1-OG 3.25Å; W370-S399 PolarHBondContact NE1-OG 3.45Å
371E94.6Very high92.7Very high41 Ų4119.6 Ų19.619%0.19210%0.096CC..Hα-helixtrans-62.4-35.2175.8-60160.2115.600111.9R304 M305 S369 K375R304-E371 WeakPolarHBondContact CA-OE1 3.49Å; M305-E371 PolarHBondContact N-OE1 3.04Å; S369-E371 PolarHBondContact O-N 3.2Å; S369-E371 WeakPolarHBondContact OG-CG 3.45Å; S369-E371 PolarHBondContact OG-N 3.37Å; S369-E371 PolarHBondContact OG-OE2 3.24Å; E371-K375 WeakPolarHBondContact O-CG 3.45Å; E371-K375 PolarHBondContact O-N 2.87Å; E371-K375 VanDerWaalsContact O-N 3.17Å
372S94.6Very high92.4Very high34 Ų3419.8 Ų19.824%0.23810%0.097CC..Hα-helixtrans-71.9-39.1176.5-630000111.8S369 W370 V376S369-S372 WeakPolarHBondContact O-CB 3.38Å; S369-S372 PolarHBondContact O-N 3.09Å; S369-S372 VanDerWaalsContact O-N 3.14Å; W370-S372 VanDerWaalsContact C-N 3.29Å; W370-S372 PolarHBondContact O-N 2.72Å; S372-V376 PolarHBondContact O-N 2.9Å
373G93.8Very high92.2Very high0 Ų020.5 Ų20.50%010%0.101CC..Hα-helixtrans-66.6-40.3173.400000112.7W370 K375 V376 F377 W393W370-G373 PolarHBondContact O-N 2.74Å; G373-K375 PolarHBondContact O-N 3.34Å; G373-V376 PolarHBondContact O-N 3.3Å; G373-F377 PolarHBondContact O-N 3.47Å; G373-W393 WeakPolarHBondContact O-CZ2 3.46Å
374M93.1Very high92Very high6 Ų620.1 Ų20.13%0.0310%0.101CC..Hα-helixtrans-57.2-45.5174.9-177-16377.700111.7D303 W370 F377 E378 N389 A390 W393D303-M374 HydrophobicContact CB-CE 3.85Å; D303-M374 HydrophobicContact CB-SD 3.88Å; D303-M374 WeakPolarHBondContact O-CE 3.3Å; W370-M374 HydrophobicContact CZ3-SD 4.02Å; W370-M374 WeakPolarHBondContact O-CB 3.45Å; W370-M374 PolarHBondContact O-N 3.22Å; M374-F377 CarbonylContact O-C 3.6Å; M374-F377 PolarHBondContact O-N 3.01Å; M374-E378 PolarHBondContact O-N 3.47Å; M374-N389 HydrophobicContact CG-CB 4.5Å; M374-N389 VanDerWaalsContact CG-ND2 3.35Å; M374-N389 WeakPolarHBondContact CG-ND2 3.45Å; M374-N389 PolarHBondContact O-ND2 2.95Å; M374-A390 HydrophobicContact SD-CB 3.66Å; M374-W393 HydrophobicContact CB-CB 4.44Å; M374-W393 HydrophobicContact CB-CG 4.04Å
375K91.1Very high91.9Very high126 Ų12620.3 Ų20.355%0.54810%0.102SC..Hα-helixtrans-60.2-50176.8-72.9168.9-176.6175.70112.3E371 G373 F377 E378 E379E371-K375 WeakPolarHBondContact O-CG 3.45Å; E371-K375 PolarHBondContact O-N 2.87Å; E371-K375 VanDerWaalsContact O-N 3.17Å; G373-K375 PolarHBondContact O-N 3.34Å; K375-F377 PolarHBondContact O-N 3.18Å; K375-E378 PolarHBondContact O-N 3.01Å; K375-E379 WeakPolarHBondContact O-CG 3.48Å; K375-E379 PolarHBondContact O-N 2.9Å
376V91.8Very high91.8Very high16 Ų1622 Ų2210%0.09711%0.107CC..Hα-helixtrans-60.1-34.7177.1174.50000111.7W326 A327 M340 S372 G373 L380W326-V376 HydrophobicContact CH2-CB 4.42Å; W326-V376 HydrophobicContact CH2-CG1 4.33Å; W326-V376 HydrophobicContact CZ3-CB 3.81Å; W326-V376 HydrophobicContact CZ3-CG1 3.78Å; W326-V376 HydrophobicContact CZ3-CG2 4.05Å; A327-V376 HydrophobicContact CB-CG1 4.1Å; A327-V376 HydrophobicContact CB-CG2 4.05Å; M340-V376 HydrophobicContact CE-CG1 4.11Å; S372-V376 PolarHBondContact O-N 2.9Å; G373-V376 PolarHBondContact O-N 3.3Å; V376-L380 HydrophobicContact CG1-CD1 3.98Å; V376-L380 WeakPolarHBondContact O-CB 3.5Å; V376-L380 PolarHBondContact O-N 3.32Å; V376-L380 VanDerWaalsContact O-N 3.16Å
377F91.9Very high91.7Very high6 Ų621.1 Ų21.13%0.02610%0.103CC..Hα-helixtrans-71.8-38.4172.6-89.135.2000112.5W326 L343 I349 R354 V357 G373 M374 K375 E379 L380 L381 N389 W393W326-F377 HydrophobicContact CH2-CD1 4.23Å; W326-F377 HydrophobicContact CH2-CE1 4Å; W326-F377 HydrophobicContact CZ2-CE1 4.26Å; L343-F377 HydrophobicContact CD2-CD1 3.73Å; L343-F377 HydrophobicContact CD2-CE1 3.49Å; L343-F377 VanDerWaalsContact CD2-CE1 3.49Å; L343-F377 HydrophobicContact CD2-CZ 4.21Å; I349-F377 HydrophobicContact CD1-CZ 3.96Å; R354-F377 HydrophobicContact CB-CE2 4.06Å; R354-F377 HydrophobicContact CB-CZ 4.38Å; R354-F377 HydrophobicContact CG-CE2 3.96Å; R354-F377 HydrophobicContact CG-CZ 4.36Å; V357-F377 HydrophobicContact CG2-CE1 4.11Å; V357-F377 HydrophobicContact CG2-CZ 3.75Å; G373-F377 PolarHBondContact O-N 3.47Å; M374-F377 CarbonylContact O-C 3.6Å; M374-F377 PolarHBondContact O-N 3.01Å; K375-F377 PolarHBondContact O-N 3.18Å; F377-E379 VanDerWaalsContact C-N 3.29Å; F377-E379 PolarHBondContact O-N 2.75Å; F377-L380 PolarHBondContact O-N 2.87Å; F377-L381 HydrophobicContact CB-CD2 4.5Å; F377-L381 HydrophobicContact CD2-CD2 3.76Å; F377-L381 HydrophobicContact CE2-CD2 4.34Å; F377-L381 HydrophobicContact CG-CD2 4.36Å; F377-L381 WeakPolarHBondContact O-CA 3.37Å; F377-L381 WeakPolarHBondContact O-CB 3.31Å; F377-L381 PolarHBondContact O-N 3.03Å; F377-N389 WeakPolarHBondContact CB-OD1 3.12Å; F377-W393 AromaticContact CD1-CZ2 3.76Å; F377-W393 HydrophobicContact CD1-CZ2 3.76Å; F377-W393 HydrophobicContact CD2-CZ2 4.05Å; F377-W393 AromaticContact CD2-NE1 3.4Å; F377-W393 AromaticContact CE1-CZ2 3.78Å; F377-W393 HydrophobicContact CE1-CZ2 3.78Å; F377-W393 HydrophobicContact CE2-CZ2 4.06Å; F377-W393 AromaticContact CG-CZ2 3.91Å; F377-W393 HydrophobicContact CG-CZ2 3.91Å; F377-W393 AromaticContact CG-NE1 3.56Å; F377-W393 AromaticContact CZ-CZ2 3.94Å; F377-W393 HydrophobicContact CZ-CZ2 3.94Å
378E88.4Confident91.6Very high60 Ų6022.4 Ų22.428%0.2811%0.111SC..Hα-helixtrans-64.8-34.5177.5179.6165.4-157.700112.8R50 M374 K375R50-E378 PolarHBondContact NH1-O 3.33Å; R50-E378 IonicContact NH1-OE1 2.76Å; M374-E378 PolarHBondContact O-N 3.47Å; K375-E378 PolarHBondContact O-N 3.01Å
379E84.6Confident91.5Very high55 Ų5522.6 Ų22.626%0.25711%0.112SC..Hα-helixtrans-68.9-49.1174-67.8178.9172.700112.1I46 N47 K375 F377I46-E379 HydrophobicContact CB-CB 4.41Å; I46-E379 WeakPolarHBondContact CD1-OE2 3.49Å; I46-E379 HydrophobicContact CG2-CB 3.68Å; N47-E379 WeakPolarHBondContact CA-O 3.38Å; N47-E379 VanDerWaalsContact OD1-CA 3.25Å; N47-E379 WeakPolarHBondContact OD1-CA 3.39Å; N47-E379 VanDerWaalsContact OD1-CB 3.23Å; N47-E379 WeakPolarHBondContact OD1-CB 3.43Å; N47-E379 WeakPolarHBondContact OD1-CG 3.41Å; N47-E379 PolarHBondContact OD1-O 3.22Å; K375-E379 WeakPolarHBondContact O-CG 3.48Å; K375-E379 PolarHBondContact O-N 2.9Å; F377-E379 VanDerWaalsContact C-N 3.29Å; F377-E379 PolarHBondContact O-N 2.75Å
380L87.9Confident91.4Very high3 Ų322 Ų222%0.01611%0.108CC..Hα-helixtrans-91.2-32.5-170-73.2173.9000115.5I46 L343 R344 G347 V376 F377I46-L380 HydrophobicContact CG2-CD2 3.38Å; I46-L380 HydrophobicContact CG2-CG 3.64Å; L343-L380 HydrophobicContact CD1-CB 3.86Å; L343-L380 HydrophobicContact CD2-CB 4.28Å; L343-L380 HydrophobicContact CD2-CD1 4.16Å; L343-L380 HydrophobicContact CG-CB 3.77Å; L343-L380 HydrophobicContact CG-CD1 3.94Å; L343-L380 HydrophobicContact CG-CG 4.46Å; R344-L380 HydrophobicContact CB-CD2 4.42Å; R344-L380 HydrophobicContact CG-CD2 4.39Å; G347-L380 VanDerWaalsContact CA-O 3.3Å; G347-L380 WeakPolarHBondContact CA-O 3.23Å; V376-L380 HydrophobicContact CG1-CD1 3.98Å; V376-L380 WeakPolarHBondContact O-CB 3.5Å; V376-L380 PolarHBondContact O-N 3.32Å; V376-L380 VanDerWaalsContact O-N 3.16Å; F377-L380 PolarHBondContact O-N 2.87Å
381L90.9Very high91.3Very high4 Ų422 Ų222%0.02111%0.108CC..  trans-94.2117-161.6-170.269.2000112.4L343 G347 I349 F377 D383 A384L343-L381 HydrophobicContact CD1-CB 4.05Å; L343-L381 HydrophobicContact CD1-CD1 3.61Å; L343-L381 HydrophobicContact CD1-CG 4.43Å; G347-L381 WeakPolarHBondContact O-CA 3.26Å; I349-L381 HydrophobicContact CG1-CD1 4.41Å; F377-L381 HydrophobicContact CB-CD2 4.5Å; F377-L381 HydrophobicContact CD2-CD2 3.76Å; F377-L381 HydrophobicContact CE2-CD2 4.34Å; F377-L381 HydrophobicContact CG-CD2 4.36Å; F377-L381 WeakPolarHBondContact O-CA 3.37Å; F377-L381 WeakPolarHBondContact O-CB 3.31Å; F377-L381 PolarHBondContact O-N 3.03Å; L381-D383 WeakPolarHBondContact CD2-OD1 3.49Å; L381-D383 WeakPolarHBondContact CG-OD1 3.47Å; L381-D383 PolarHBondContact O-N 3.48Å; L381-D383 VanDerWaalsContact O-N 3.13Å; L381-A384 HydrophobicContact CB-CB 4.08Å; L381-A384 HydrophobicContact CD2-CB 4.27Å; L381-A384 HydrophobicContact CG-CB 4.45Å; L381-A384 WeakPolarHBondContact O-CB 3.44Å; L381-A384 PolarHBondContact O-N 3.21Å; L381-A384 VanDerWaalsContact O-N 3.14Å
382L90.6Very high91.2Very high5 Ų521.7 Ų21.73%0.02611%0.11CC..THydrogen-bonded Turntrans-61.7-21.5-177.8-68174.8000114.7W49 R50 F53 W209 P249 R252 G347W49-L382 HydrophobicContact CB-CD2 3.97Å; W49-L382 HydrophobicContact CB-CG 4.5Å; W49-L382 WeakPolarHBondContact O-CD2 3.33Å; R50-L382 HydrophobicContact CB-CD2 4.41Å; F53-L382 HydrophobicContact CB-CD2 3.88Å; F53-L382 HydrophobicContact CG-CD2 4.32Å; W209-L382 HydrophobicContact CB-CD1 3.68Å; W209-L382 HydrophobicContact CG-CD1 3.8Å; P249-L382 HydrophobicContact CB-CB 4.07Å; P249-L382 HydrophobicContact CG-CB 3.97Å; R252-L382 WeakPolarHBondContact CG-O 3.17Å; G347-L382 WeakPolarHBondContact O-CB 3.44Å; G347-L382 WeakPolarHBondContact O-CG 3.28Å; G347-L382 PolarHBondContact O-N 3.38Å
383D90.9Very high91.3Very high15 Ų1520.2 Ų20.28%0.0810%0.1CC..THydrogen-bonded Turntrans-109.114.4178.764.726.3000114.5S248 R252 W348 R354 L381 D385S248-D383 WeakPolarHBondContact CB-OD2 3.32Å; S248-D383 PolarHBondContact OG-OD2 2.88Å; R252-D383 HydrophobicContact CB-CB 4.34Å; W348-D383 VanDerWaalsContact CD1-OD2 3.23Å; W348-D383 PolarHBondContact NE1-OD2 3.11Å; R354-D383 IonicContact CZ-OD1 3.08Å; R354-D383 VanDerWaalsContact CZ-OD1 3.23Å; R354-D383 IonicContact CZ-OD2 2.72Å; R354-D383 IonicContact NH1-OD1 3.37Å; R354-D383 PolarHBondContact NH1-OD1 3.05Å; R354-D383 IonicContact NH1-OD2 3.85Å; R354-D383 VanDerWaalsContact NH2-CG 3.32Å; R354-D383 IonicContact NH2-OD1 3.89Å; R354-D383 PolarHBondContact NH2-OD1 3.16Å; R354-D383 IonicContact NH2-OD2 2.74Å; R354-D383 PolarHBondContact NH2-OD2 2.85Å; L381-D383 WeakPolarHBondContact CD2-OD1 3.49Å; L381-D383 WeakPolarHBondContact CG-OD1 3.47Å; L381-D383 PolarHBondContact O-N 3.48Å; L381-D383 VanDerWaalsContact O-N 3.13Å; D383-D385 PolarHBondContact O-N 2.84Å; D383-D385 VanDerWaalsContact O-N 3.11Å
384A87.7Confident91.2Very high4 Ų420.2 Ų20.23%0.03310%0.1CC..  trans-73.895.8172.300000112.4R252 L381 N389R252-A384 VanDerWaalsContact NE-C 3.29Å; R252-A384 PolarHBondContact NE-O 2.85Å; L381-A384 HydrophobicContact CB-CB 4.08Å; L381-A384 HydrophobicContact CD2-CB 4.27Å; L381-A384 HydrophobicContact CG-CB 4.45Å; L381-A384 WeakPolarHBondContact O-CB 3.44Å; L381-A384 PolarHBondContact O-N 3.21Å; L381-A384 VanDerWaalsContact O-N 3.14Å; A384-N389 HydrophobicContact CB-CB 4.21Å
385D87.4Confident91.2Very high4 Ų422.8 Ų22.82%0.02111%0.109CC..  trans-74.4144152.8-87.4-62.4000108.8K8 R252 Y293 D383 S387 V388 N389K8-D385 IonicContact NZ-OD1 3.84Å; R252-D385 WeakPolarHBondContact CD-OD1 3.43Å; R252-D385 WeakPolarHBondContact CD-OD2 3.46Å; R252-D385 IonicContact CZ-OD1 2.83Å; R252-D385 IonicContact NE-OD1 3.57Å; R252-D385 PolarHBondContact NE-OD1 2.69Å; R252-D385 IonicContact NH1-OD1 2.68Å; R252-D385 PolarHBondContact NH1-OD1 3.19Å; R252-D385 IonicContact NH2-OD1 2.68Å; Y293-D385 PolarHBondContact OH-OD1 3.11Å; Y293-D385 PolarHBondContact OH-OD2 3.27Å; D383-D385 PolarHBondContact O-N 2.84Å; D383-D385 VanDerWaalsContact O-N 3.11Å; D385-S387 VanDerWaalsContact C-N 3.3Å; D385-S387 PolarHBondContact O-N 3.28Å; D385-V388 HydrophobicContact CB-CB 4Å; D385-V388 HydrophobicContact CB-CG2 3.84Å; D385-V388 PolarHBondContact O-N 3.06Å; D385-N389 WeakPolarHBondContact O-CB 3.15Å; D385-N389 PolarHBondContact O-N 3.37Å
386W90.8Very high91.2Very high43 Ų4317.5 Ų17.516%0.1639%0.087CC..Hα-helixtrans-56.2-47.9179.1172.692.8000110.3E102 P103 A296 F302 D303 V388 N389 A390E102-W386 HydrophobicContact CB-CE3 4.33Å; E102-W386 PolarHBondContact OE1-N 3.42Å; P103-W386 HydrophobicContact CG-CH2 3.83Å; P103-W386 HydrophobicContact CG-CZ3 3.91Å; A296-W386 HydrophobicContact CB-CE3 4.47Å; A296-W386 HydrophobicContact CB-CZ3 3.85Å; F302-W386 HydrophobicContact CB-CH2 3.67Å; F302-W386 HydrophobicContact CB-CZ2 4.28Å; F302-W386 HydrophobicContact CB-CZ3 4.21Å; D303-W386 HydrophobicContact CB-CZ2 3.8Å; D303-W386 VanDerWaalsContact CB-NE1 3.29Å; D303-W386 VanDerWaalsContact CG-NE1 3.27Å; D303-W386 PolarHBondContact OD2-NE1 3.44Å; W386-V388 PolarHBondContact O-N 3.45Å; W386-N389 PolarHBondContact O-N 3.01Å; W386-A390 WeakPolarHBondContact O-CB 3.41Å; W386-A390 PolarHBondContact O-N 3Å
387S92.8Very high91.1Very high0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-59.2-45.2176.6-53.30000113.1E102 Y293 F302 D385 G391E102-S387 WeakPolarHBondContact CG-OG 3.43Å; E102-S387 WeakPolarHBondContact OE1-CB 3.24Å; E102-S387 PolarHBondContact OE1-N 3.48Å; E102-S387 PolarHBondContact OE1-OG 3.04Å; Y293-S387 WeakPolarHBondContact CD1-OG 3.43Å; F302-S387 WeakPolarHBondContact CE1-O 3.25Å; D385-S387 VanDerWaalsContact C-N 3.3Å; D385-S387 PolarHBondContact O-N 3.28Å; S387-G391 PolarHBondContact O-N 3.25Å; S387-G391 VanDerWaalsContact O-N 3.13Å
388V93.4Very high91Very high30 Ų3016.5 Ų16.518%0.1828%0.081CC..Hα-helixtrans-76.6-37.6-175.3-179.20000111R289 F292 Y293 D385 W386 S392R289-V388 HydrophobicContact CG-CG2 4.14Å; F292-V388 HydrophobicContact CB-CG2 4.38Å; F292-V388 HydrophobicContact CD2-CG1 4.21Å; Y293-V388 HydrophobicContact CE2-CG2 4.45Å; D385-V388 HydrophobicContact CB-CB 4Å; D385-V388 HydrophobicContact CB-CG2 3.84Å; D385-V388 PolarHBondContact O-N 3.06Å; W386-V388 PolarHBondContact O-N 3.45Å; V388-S392 VanDerWaalsContact O-CB 3.22Å; V388-S392 WeakPolarHBondContact O-CB 3.31Å; V388-S392 PolarHBondContact O-N 3.32Å; V388-S392 PolarHBondContact O-OG 2.72Å
389N93.7Very high91Very high9 Ų913.6 Ų13.65%0.0487%0.067CC..Hα-helixtrans-66.5-57.9179.1-168.530.5000110.3M374 F377 A384 D385 W386 G391 S392 W393M374-N389 HydrophobicContact CG-CB 4.5Å; M374-N389 VanDerWaalsContact CG-ND2 3.35Å; M374-N389 WeakPolarHBondContact CG-ND2 3.45Å; M374-N389 PolarHBondContact O-ND2 2.95Å; F377-N389 WeakPolarHBondContact CB-OD1 3.12Å; A384-N389 HydrophobicContact CB-CB 4.21Å; D385-N389 WeakPolarHBondContact O-CB 3.15Å; D385-N389 PolarHBondContact O-N 3.37Å; W386-N389 PolarHBondContact O-N 3.01Å; N389-G391 VanDerWaalsContact C-N 3.33Å; N389-G391 PolarHBondContact O-N 2.98Å; N389-S392 PolarHBondContact O-N 2.89Å; N389-W393 VanDerWaalsContact O-CD1 3.26Å; N389-W393 PolarHBondContact O-N 3.34Å; N389-W393 PolarHBondContact OD1-NE1 2.99Å
390A93.9Very high91Very high0 Ų011.4 Ų11.40%06%0.058CC..Hα-helixtrans-56.4-45.6177.300000112.1F302 D303 M374 W386 S392 W393 M394F302-A390 HydrophobicContact CD1-CB 3.72Å; F302-A390 HydrophobicContact CE1-CB 4.03Å; D303-A390 HydrophobicContact CB-CB 4.29Å; M374-A390 HydrophobicContact SD-CB 3.66Å; W386-A390 WeakPolarHBondContact O-CB 3.41Å; W386-A390 PolarHBondContact O-N 3Å; A390-S392 PolarHBondContact O-N 3.5Å; A390-W393 PolarHBondContact O-N 3.43Å; A390-M394 HydrophobicContact CB-CE 4.48Å; A390-M394 PolarHBondContact O-N 3.27Å
391G93.3Very high90.7Very high0 Ų013 Ų130%07%0.066CC..Hα-helixtrans-62.9-40.8178.600000113.4F292 S387 N389 W395F292-G391 VanDerWaalsContact CE1-O 3.32Å; F292-G391 WeakPolarHBondContact CE1-O 3.41Å; S387-G391 PolarHBondContact O-N 3.25Å; S387-G391 VanDerWaalsContact O-N 3.13Å; N389-G391 VanDerWaalsContact C-N 3.33Å; N389-G391 PolarHBondContact O-N 2.98Å; G391-W395 WeakPolarHBondContact O-CB 3.28Å; G391-W395 PolarHBondContact O-N 3Å; G391-W395 VanDerWaalsContact O-N 3.08Å
392S93.3Very high89.8Confident36 Ų3615.6 Ų15.625%0.2528%0.076SC..Hα-helixtrans-67.7-41.7175.3-590000111.9V388 N389 A390 W395 L396V388-S392 VanDerWaalsContact O-CB 3.22Å; V388-S392 WeakPolarHBondContact O-CB 3.31Å; V388-S392 PolarHBondContact O-N 3.32Å; V388-S392 PolarHBondContact O-OG 2.72Å; N389-S392 PolarHBondContact O-N 2.89Å; A390-S392 PolarHBondContact O-N 3.5Å; S392-W395 PolarHBondContact O-N 3.13Å; S392-L396 WeakPolarHBondContact O-CB 3.48Å; S392-L396 VanDerWaalsContact O-CG 3.26Å; S392-L396 WeakPolarHBondContact O-CG 3.36Å; S392-L396 PolarHBondContact O-N 3.22Å
393W95.3Very high88.4Confident3 Ų320.1 Ų20.11%0.01110%0.098CC..Hα-helixtrans-64.5-46.7178.9-87.7100000112W326 A358 L361 T362 W370 G373 M374 F377 N389 A390 W395 L396 S397W326-W393 AromaticContact CH2-CH2 3.77Å; W326-W393 HydrophobicContact CH2-CH2 3.77Å; W326-W393 AromaticContact CH2-CZ2 4Å; W326-W393 HydrophobicContact CH2-CZ2 4Å; W326-W393 AromaticContact CZ2-CH2 3.83Å; W326-W393 HydrophobicContact CZ2-CH2 3.83Å; W326-W393 HydrophobicContact CZ2-CZ2 4.34Å; A358-W393 HydrophobicContact CB-CD2 4.48Å; A358-W393 HydrophobicContact CB-CE3 3.91Å; A358-W393 HydrophobicContact CB-CH2 3.61Å; A358-W393 HydrophobicContact CB-CZ2 4.2Å; A358-W393 HydrophobicContact CB-CZ3 3.44Å; A358-W393 VanDerWaalsContact CB-CZ3 3.44Å; L361-W393 HydrophobicContact CB-CZ3 4.46Å; L361-W393 HydrophobicContact CD2-CH2 3.83Å; L361-W393 HydrophobicContact CD2-CZ3 3.91Å; T362-W393 HydrophobicContact CG2-CE3 4.25Å; T362-W393 HydrophobicContact CG2-CZ3 3.97Å; W370-W393 HydrophobicContact CB-CB 4.27Å; W370-W393 HydrophobicContact CB-CE3 4.03Å; W370-W393 HydrophobicContact CE3-CB 3.94Å; G373-W393 WeakPolarHBondContact O-CZ2 3.46Å; M374-W393 HydrophobicContact CB-CB 4.44Å; M374-W393 HydrophobicContact CB-CG 4.04Å; F377-W393 AromaticContact CD1-CZ2 3.76Å; F377-W393 HydrophobicContact CD1-CZ2 3.76Å; F377-W393 HydrophobicContact CD2-CZ2 4.05Å; F377-W393 AromaticContact CD2-NE1 3.4Å; F377-W393 AromaticContact CE1-CZ2 3.78Å; F377-W393 HydrophobicContact CE1-CZ2 3.78Å; F377-W393 HydrophobicContact CE2-CZ2 4.06Å; F377-W393 AromaticContact CG-CZ2 3.91Å; F377-W393 HydrophobicContact CG-CZ2 3.91Å; F377-W393 AromaticContact CG-NE1 3.56Å; F377-W393 AromaticContact CZ-CZ2 3.94Å; F377-W393 HydrophobicContact CZ-CZ2 3.94Å; N389-W393 VanDerWaalsContact O-CD1 3.26Å; N389-W393 PolarHBondContact O-N 3.34Å; N389-W393 PolarHBondContact OD1-NE1 2.99Å; A390-W393 PolarHBondContact O-N 3.43Å; W393-W395 VanDerWaalsContact C-N 3.3Å; W393-W395 PolarHBondContact O-N 3.37Å; W393-L396 PolarHBondContact O-N 3Å; W393-S397 WeakPolarHBondContact O-CB 3.37Å; W393-S397 PolarHBondContact O-N 3.22Å; W393-S397 PolarHBondContact O-OG 3.44Å
394M93.4Very high87.3Confident0 Ų023.4 Ų23.40%011%0.113CC..Hα-helixtrans-60.8-35.4173-74.4-173.1-77.800113.3F302 I310 C311 W370 A390 S397 C398 S399 A400 F401F302-M394 HydrophobicContact CD1-CE 3.74Å; F302-M394 HydrophobicContact CD2-CE 4.03Å; F302-M394 HydrophobicContact CE1-CE 3.59Å; F302-M394 HydrophobicContact CE2-CE 3.91Å; F302-M394 HydrophobicContact CG-CE 3.95Å; F302-M394 HydrophobicContact CZ-CE 3.69Å; F302-M394 WeakPolarHBondContact O-CE 3.14Å; I310-M394 HydrophobicContact CD1-CE 4.38Å; C311-M394 HydrophobicContact CB-SD 4.28Å; W370-M394 HydrophobicContact CD2-CG 4.04Å; W370-M394 HydrophobicContact CE3-CG 4.09Å; W370-M394 HydrophobicContact CH2-CE 4.49Å; W370-M394 HydrophobicContact CH2-CG 3.55Å; W370-M394 HydrophobicContact CH2-SD 3.92Å; W370-M394 HydrophobicContact CZ2-CG 3.48Å; W370-M394 VanDerWaalsContact CZ2-CG 3.48Å; W370-M394 HydrophobicContact CZ2-SD 3.96Å; W370-M394 HydrophobicContact CZ3-CG 3.86Å; A390-M394 HydrophobicContact CB-CE 4.48Å; A390-M394 PolarHBondContact O-N 3.27Å; M394-S397 PolarHBondContact O-OG 2.97Å; M394-C398 CarbonylContact O-C 3.49Å; M394-C398 PolarHBondContact O-N 3.37Å; M394-S399 PolarHBondContact O-N 3.48Å; M394-A400 HydrophobicContact CB-CB 3.89Å; M394-A400 HydrophobicContact CG-CB 4.46Å; M394-A400 PolarHBondContact O-N 2.83Å; M394-A400 HydrophobicContact SD-CB 4.02Å; M394-F401 HydrophobicContact CE-CE2 4.27Å
395W91.8Very high86.4Confident60 Ų6024 Ų2423%0.22712%0.115CC..Hα-helixtrans-68.7-43.8176.3-173.790.1000111.7H355 G391 S392 W393 C398 F402H355-W395 AromaticContact CE1-CZ3 3.71Å; G391-W395 WeakPolarHBondContact O-CB 3.28Å; G391-W395 PolarHBondContact O-N 3Å; G391-W395 VanDerWaalsContact O-N 3.08Å; S392-W395 PolarHBondContact O-N 3.13Å; W393-W395 VanDerWaalsContact C-N 3.3Å; W393-W395 PolarHBondContact O-N 3.37Å; W395-C398 PolarHBondContact O-N 3.12Å; W395-F402 HydrophobicContact CD2-CB 4.45Å; W395-F402 HydrophobicContact CG-CB 4.17Å; W395-F402 HydrophobicContact CZ2-CD2 4.37Å; W395-F402 HydrophobicContact CZ2-CG 4.44Å
396L91.2Very high85.1Confident15 Ų1529.6 Ų29.68%0.07914%0.139CC..Hα-helixtrans-72.3-37.7-177.7-70.5170000113.4H355 A358 R363 S392 W393 C398H355-L396 HydrophobicContact CB-CD2 4.04Å; A358-L396 HydrophobicContact CB-CB 4.08Å; A358-L396 HydrophobicContact CB-CD1 3.72Å; A358-L396 HydrophobicContact CB-CG 4.48Å; R363-L396 PolarHBondContact NE-O 3.34Å; S392-L396 WeakPolarHBondContact O-CB 3.48Å; S392-L396 VanDerWaalsContact O-CG 3.26Å; S392-L396 WeakPolarHBondContact O-CG 3.36Å; S392-L396 PolarHBondContact O-N 3.22Å; W393-L396 PolarHBondContact O-N 3Å; L396-C398 PolarHBondContact O-N 3.33Å
397S91Very high84.3Confident0 Ų034.6 Ų34.60%016%0.163CC..THydrogen-bonded Turntrans-74.8-7.5174.566.50000113.7W393 M394 S399 M480W393-S397 WeakPolarHBondContact O-CB 3.37Å; W393-S397 PolarHBondContact O-N 3.22Å; W393-S397 PolarHBondContact O-OG 3.44Å; M394-S397 PolarHBondContact O-OG 2.97Å; S397-S399 PolarHBondContact O-N 2.98Å; S397-S399 VanDerWaalsContact OG-CB 3.28Å; S397-S399 WeakPolarHBondContact OG-CB 3.35Å; S397-S399 PolarHBondContact OG-N 3.37Å; S397-S399 PolarHBondContact OG-OG 2.84Å; S397-M480 VanDerWaalsContact O-CE 3.22Å; S397-M480 WeakPolarHBondContact O-CE 3.27Å
398C89.1Confident83.7Confident0 Ų036.1 Ų36.10%017%0.174CC..THydrogen-bonded Turntrans5921.2-166.5-56.80000114.2R363 M394 W395 L396 F402 F405 M480 Y484R363-C398 PolarHBondContact NE-SG 3.16Å; M394-C398 CarbonylContact O-C 3.49Å; M394-C398 PolarHBondContact O-N 3.37Å; W395-C398 PolarHBondContact O-N 3.12Å; L396-C398 PolarHBondContact O-N 3.33Å; C398-F402 WeakPolarHBondContact CA-O 3.35Å; C398-F402 WeakPolarHBondContact CB-O 3.32Å; C398-F405 HydrophobicContact CB-CB 4.38Å; C398-M480 HydrophobicContact CB-CE 3.7Å; C398-Y484 PolarHBondContact O-OH 2.9Å
399S87.7Confident83.2Confident0 Ų038.3 Ų38.30%018%0.179CC..SBendtrans-73.9-25.5174.3-580000113.3V312 W370 M394 S397V312-S399 WeakPolarHBondContact CB-O 3.23Å; V312-S399 WeakPolarHBondContact CG2-O 3.14Å; V312-S399 PolarHBondContact N-O 3.19Å; W370-S399 VanDerWaalsContact CD1-OG 3.25Å; W370-S399 PolarHBondContact NE1-OG 3.45Å; M394-S399 PolarHBondContact O-N 3.48Å; S397-S399 PolarHBondContact O-N 2.98Å; S397-S399 VanDerWaalsContact OG-CB 3.28Å; S397-S399 WeakPolarHBondContact OG-CB 3.35Å; S397-S399 PolarHBondContact OG-N 3.37Å; S397-S399 PolarHBondContact OG-OG 2.84Å
400A85.4Confident83Confident8 Ų839.8 Ų39.87%0.06619%0.19CC..SBendtrans-150168.916900000111.4I310 M394 F402I310-A400 HydrophobicContact CD1-CB 4.38Å; I310-A400 HydrophobicContact CG1-CB 4.42Å; I310-A400 WeakPolarHBondContact O-CB 3.37Å; M394-A400 HydrophobicContact CB-CB 3.89Å; M394-A400 HydrophobicContact CG-CB 4.46Å; M394-A400 PolarHBondContact O-N 2.83Å; M394-A400 HydrophobicContact SD-CB 4.02Å; A400-F402 PolarHBondContact O-N 3.47Å
401F80.7Confident82.8Confident38 Ų3840 Ų4017%0.16719%0.191CC..SBendtrans61.5-24.5173.2-49.9-70.1000118.2L147 F291 F292 A295 F302 I310 M394L147-F401 HydrophobicContact CD2-CE1 4.12Å; F291-F401 HydrophobicContact CE1-CD1 4.08Å; F291-F401 HydrophobicContact CE1-CE1 4.25Å; F291-F401 HydrophobicContact CE1-CG 4.39Å; F291-F401 AromaticContact CZ-CD1 3.65Å; F291-F401 HydrophobicContact CZ-CD1 3.65Å; F291-F401 AromaticContact CZ-CE1 3.92Å; F291-F401 HydrophobicContact CZ-CE1 3.92Å; F291-F401 HydrophobicContact CZ-CG 4.31Å; F292-F401 HydrophobicContact CD1-CE2 4.5Å; F292-F401 HydrophobicContact CE1-CD2 4.4Å; F292-F401 HydrophobicContact CE1-CE2 4.35Å; A295-F401 HydrophobicContact CB-CE1 3.96Å; A295-F401 HydrophobicContact CB-CZ 3.77Å; F302-F401 HydrophobicContact CE2-CE2 4.37Å; F302-F401 AromaticContact CE2-CZ 3.85Å; F302-F401 HydrophobicContact CE2-CZ 3.85Å; F302-F401 HydrophobicContact CZ-CE2 4.05Å; F302-F401 AromaticContact CZ-CZ 3.83Å; F302-F401 HydrophobicContact CZ-CZ 3.83Å; I310-F401 HydrophobicContact CD1-CE1 4.04Å; I310-F401 HydrophobicContact CD1-CE2 4.01Å; I310-F401 HydrophobicContact CD1-CZ 3.46Å; I310-F401 VanDerWaalsContact CD1-CZ 3.46Å; M394-F401 HydrophobicContact CE-CE2 4.27Å
402F72.4Confident82.6Confident57 Ų5741 Ų4125%0.2520%0.197CC..  trans-141.7138.8-175.2-172-113.6000110.6W395 C398 A400 Q404W395-F402 HydrophobicContact CD2-CB 4.45Å; W395-F402 HydrophobicContact CG-CB 4.17Å; W395-F402 HydrophobicContact CZ2-CD2 4.37Å; W395-F402 HydrophobicContact CZ2-CG 4.44Å; C398-F402 WeakPolarHBondContact CA-O 3.35Å; C398-F402 WeakPolarHBondContact CB-O 3.32Å; A400-F402 PolarHBondContact O-N 3.47Å; F402-Q404 HydrophobicContact CE1-CB 3.96Å; F402-Q404 HydrophobicContact CE2-CB 4.15Å; F402-Q404 HydrophobicContact CE2-CG 4.3Å; F402-Q404 HydrophobicContact CZ-CB 3.62Å; F402-Q404 HydrophobicContact CZ-CG 4.24Å
403Q60.6Low82.4Confident101 Ų10140.3 Ų40.347%0.47220%0.196SC..  trans-128.71.7-168.4-66.9175.1-18.400113.6F405 Y484Q403-F405 VanDerWaalsContact C-N 3.32Å; Q403-F405 VanDerWaalsContact O-CD1 3.29Å; Q403-F405 WeakPolarHBondContact O-CD1 3.38Å; Q403-F405 PolarHBondContact O-N 2.92Å; Q403-F405 VanDerWaalsContact O-N 3.1Å; Q403-Y484 HydrophobicContact CG-CE1 4.36Å
404Q68.6Low82.1Confident84 Ų8440.7 Ų40.739%0.39320%0.198SC..  trans-88.368.6179.5-61.2177.7-50.200111F402 F406F402-Q404 HydrophobicContact CE1-CB 3.96Å; F402-Q404 HydrophobicContact CE2-CB 4.15Å; F402-Q404 HydrophobicContact CE2-CG 4.3Å; F402-Q404 HydrophobicContact CZ-CB 3.62Å; F402-Q404 HydrophobicContact CZ-CG 4.24Å; Q404-F406 PolarHBondContact O-N 3.39Å
405F68.3Low81.8Confident17 Ų1740.7 Ų40.78%0.07520%0.198CC..THydrogen-bonded Turntrans-68-11-177.359.3-92.4000114.7R363 C398 Q403 H407 M480 K481 Y484R363-F405 PolarHBondContact NH1-O 3.43Å; C398-F405 HydrophobicContact CB-CB 4.38Å; Q403-F405 VanDerWaalsContact C-N 3.32Å; Q403-F405 VanDerWaalsContact O-CD1 3.29Å; Q403-F405 WeakPolarHBondContact O-CD1 3.38Å; Q403-F405 PolarHBondContact O-N 2.92Å; Q403-F405 VanDerWaalsContact O-N 3.1Å; F405-H407 VanDerWaalsContact C-N 3.29Å; F405-H407 PolarHBondContact O-N 3.33Å; F405-M480 HydrophobicContact CB-CE 4.44Å; F405-M480 HydrophobicContact CB-CG 3.71Å; F405-M480 HydrophobicContact CD1-CG 4.14Å; F405-M480 HydrophobicContact CD2-CB 3.87Å; F405-M480 HydrophobicContact CD2-CG 3.78Å; F405-M480 HydrophobicContact CE2-CB 4.29Å; F405-M480 HydrophobicContact CE2-CG 4.44Å; F405-M480 HydrophobicContact CG-CB 4.23Å; F405-M480 HydrophobicContact CG-CG 3.6Å; F405-K481 HydrophobicContact CE2-CG 3.71Å; F405-K481 HydrophobicContact CZ-CG 3.89Å; F405-Y484 HydrophobicContact CB-CE2 4.47Å; F405-Y484 AromaticContact CD1-CD2 3.43Å; F405-Y484 HydrophobicContact CD1-CD2 3.43Å; F405-Y484 VanDerWaalsContact CD1-CD2 3.43Å; F405-Y484 AromaticContact CD1-CE2 3.25Å; F405-Y484 HydrophobicContact CD1-CE2 3.25Å; F405-Y484 AromaticContact CE1-CD2 3.32Å; F405-Y484 HydrophobicContact CE1-CD2 3.32Å; F405-Y484 AromaticContact CE1-CE2 3.69Å; F405-Y484 HydrophobicContact CE1-CE2 3.69Å; F405-Y484 HydrophobicContact CE1-CG 4.13Å; F405-Y484 HydrophobicContact CG-CD2 4.35Å; F405-Y484 HydrophobicContact CG-CE2 4.08Å; F405-Y484 HydrophobicContact CZ-CD2 4.17Å
406F61.7Low81.8Confident121 Ų12141.9 Ų41.953%0.53120%0.202SC..THydrogen-bonded Turntrans-64.7-26.2-176.2-54.4-73000114.5Q404 C408Q404-F406 PolarHBondContact O-N 3.39Å; F406-C408 PolarHBondContact O-N 2.94Å
407H73.2Confident81.7Confident147 Ų14750.4 Ų50.468%0.68123%0.234SC*.  trans-94.493.9179.5-63.7-59.4000110.5R363 F405R363-H407 PolarHBondContact NH1-O 3.29Å; R363-H407 PolarHBondContact NH2-O 3.3Å; F405-H407 VanDerWaalsContact C-N 3.29Å; F405-H407 PolarHBondContact O-N 3.33Å
408C79.3Confident81.5Confident33 Ų3352 Ų5222%0.22324%0.243CC..  trans-91.3143.8168-64.40000110.4R363 F406R363-C408 PolarHBondContact NH1-SG 3.44Å; F406-C408 PolarHBondContact O-N 2.94Å
409Y83.3Confident81.5Confident75 Ų7552.8 Ų52.829%0.29425%0.248SC..  trans-83.4115.6176.3-69.6-79.9000110.3H355 C359 P411 F414H355-Y409 HydrophobicContact CB-CD2 4.31Å; H355-Y409 HydrophobicContact CB-CE2 3.69Å; H355-Y409 PolarHBondContact ND1-OH 3.46Å; C359-Y409 HydrophobicContact CB-CD2 3.97Å; C359-Y409 PolarHBondContact SG-N 3.46Å; C359-Y409 VanDerWaalsContact SG-N 3.42Å; Y409-P411 WeakPolarHBondContact O-CD 3.43Å; Y409-F414 HydrophobicContact CD1-CD1 4.31Å; Y409-F414 AromaticContact CD1-CD2 3.61Å; Y409-F414 HydrophobicContact CD1-CD2 3.61Å; Y409-F414 HydrophobicContact CD1-CE1 4.38Å; Y409-F414 AromaticContact CD1-CE2 3.7Å; Y409-F414 HydrophobicContact CD1-CE2 3.7Å; Y409-F414 AromaticContact CD1-CG 3.92Å; Y409-F414 HydrophobicContact CD1-CG 3.92Å; Y409-F414 HydrophobicContact CD1-CZ 4.1Å; Y409-F414 HydrophobicContact CE1-CD2 4.04Å; Y409-F414 AromaticContact CE1-CE2 3.65Å; Y409-F414 HydrophobicContact CE1-CE2 3.65Å; Y409-F414 AromaticContact CE1-CZ 3.96Å; Y409-F414 HydrophobicContact CE1-CZ 3.96Å
410C89Confident81.5Confident40 Ų4057.4 Ų57.427%0.2728%0.278SS..  trans-65121.4172.5-179.40000110.6V412 G413 F414 H469C410-V412 VanDerWaalsContact C-N 3.25Å; C410-V412 PolarHBondContact O-N 3.29Å; C410-G413 PolarHBondContact O-N 2.88Å; C410-G413 PolarHBondContact SG-N 3.07Å; C410-G413 VanDerWaalsContact SG-N 3.44Å; C410-F414 WeakPolarHBondContact O-CB 3.22Å; C410-F414 PolarHBondContact O-N 3.06Å; C410-H469 WeakPolarHBondContact CA-NE2 3.33Å; C410-H469 PolarHBondContact SG-NE2 2.76Å; C410-H469 VanDerWaalsContact SG-NE2 3.43Å
411P89.4Confident81.7Confident4 Ų458.8 Ų58.83%0.02629%0.287CS..Hα-helixtrans-64.9-28.5-174.725.3-33.6000112.7F333 W335 I336 F360 Y409 H469F333-P411 HydrophobicContact CB-CB 4.37Å; F333-P411 HydrophobicContact CD1-CB 3.95Å; F333-P411 HydrophobicContact CD1-CG 3.67Å; F333-P411 HydrophobicContact CE1-CG 3.84Å; F333-P411 HydrophobicContact CG-CB 4.3Å; F333-P411 HydrophobicContact CG-CG 4.31Å; W335-P411 VanDerWaalsContact CB-O 3.24Å; W335-P411 WeakPolarHBondContact CB-O 3.33Å; I336-P411 HydrophobicContact CD1-CB 4.1Å; I336-P411 HydrophobicContact CG1-CB 3.78Å; F360-P411 HydrophobicContact CD2-CB 4.17Å; F360-P411 HydrophobicContact CD2-CG 4.16Å; F360-P411 HydrophobicContact CE2-CB 4.4Å; F360-P411 HydrophobicContact CE2-CG 4.2Å; Y409-P411 WeakPolarHBondContact O-CD 3.43Å; P411-H469 WeakPolarHBondContact CD-CE1 3.18Å; P411-H469 WeakPolarHBondContact CD-ND1 3.42Å; P411-H469 HydrophobicContact CG-CB 4.47Å
412V90.8Very high82.1Confident21 Ų2157 Ų5713%0.12728%0.279CS..Hα-helixtrans-81.8-57.6174.4-177.60000110.6F333 C410 F414 G415 R416 E442 W444F333-V412 HydrophobicContact CD1-CG2 4.27Å; F333-V412 HydrophobicContact CE1-CG2 4.44Å; C410-V412 VanDerWaalsContact C-N 3.25Å; C410-V412 PolarHBondContact O-N 3.29Å; V412-F414 VanDerWaalsContact C-N 3.35Å; V412-F414 PolarHBondContact O-N 3Å; V412-G415 PolarHBondContact O-N 3.44Å; V412-R416 PolarHBondContact O-N 2.95Å; V412-E442 HydrophobicContact CG1-CB 4.25Å; V412-W444 HydrophobicContact CG2-CH2 3.76Å; V412-W444 HydrophobicContact CG2-CZ2 3.93Å
413G88.4Confident83Confident22 Ų2257.9 Ų57.923%0.22729%0.286CS..Hα-helixtrans-74.4-15.9-170.500000115.4C410 R417C410-G413 PolarHBondContact O-N 2.88Å; C410-G413 PolarHBondContact SG-N 3.07Å; C410-G413 VanDerWaalsContact SG-N 3.44Å; G413-R417 WeakPolarHBondContact O-CG 3.49Å; G413-R417 PolarHBondContact O-NE 3.34Å
414F89.1Confident84.5Confident12 Ų1253.1 Ų53.15%0.05326%0.264CS..Hα-helixtrans-81.7-41.8172.5-171.8-110.2000112.1W335 R352 A356 Y409 C410 V412 R417 T418W335-F414 AromaticContact CZ2-CD1 3.78Å; W335-F414 HydrophobicContact CZ2-CD1 3.78Å; W335-F414 HydrophobicContact CZ2-CE1 4.02Å; W335-F414 AromaticContact NE1-CD1 3.77Å; R352-F414 HydrophobicContact CB-CE1 4.31Å; R352-F414 HydrophobicContact CB-CZ 4.08Å; A356-F414 HydrophobicContact CB-CD1 4.17Å; A356-F414 HydrophobicContact CB-CE1 4.4Å; Y409-F414 HydrophobicContact CD1-CD1 4.31Å; Y409-F414 AromaticContact CD1-CD2 3.61Å; Y409-F414 HydrophobicContact CD1-CD2 3.61Å; Y409-F414 HydrophobicContact CD1-CE1 4.38Å; Y409-F414 AromaticContact CD1-CE2 3.7Å; Y409-F414 HydrophobicContact CD1-CE2 3.7Å; Y409-F414 AromaticContact CD1-CG 3.92Å; Y409-F414 HydrophobicContact CD1-CG 3.92Å; Y409-F414 HydrophobicContact CD1-CZ 4.1Å; Y409-F414 HydrophobicContact CE1-CD2 4.04Å; Y409-F414 AromaticContact CE1-CE2 3.65Å; Y409-F414 HydrophobicContact CE1-CE2 3.65Å; Y409-F414 AromaticContact CE1-CZ 3.96Å; Y409-F414 HydrophobicContact CE1-CZ 3.96Å; C410-F414 WeakPolarHBondContact O-CB 3.22Å; C410-F414 PolarHBondContact O-N 3.06Å; V412-F414 VanDerWaalsContact C-N 3.35Å; V412-F414 PolarHBondContact O-N 3Å; F414-R417 PolarHBondContact O-N 3.14Å; F414-T418 PolarHBondContact O-N 3.45Å; F414-T418 PolarHBondContact O-OG1 3.29Å
415G87.9Confident85.7Confident0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-59.8-55.1174.400000111.8W335 V412 R417 T418 D419 Y441W335-G415 VanDerWaalsContact CD2-CA 3.46Å; V412-G415 PolarHBondContact O-N 3.44Å; G415-R417 PolarHBondContact O-N 2.92Å; G415-R417 VanDerWaalsContact O-N 3.11Å; G415-T418 WeakPolarHBondContact O-CA 3.44Å; G415-T418 PolarHBondContact O-N 3.22Å; G415-D419 PolarHBondContact O-N 3.3Å; G415-Y441 VanDerWaalsContact CA-CE1 3.4Å
416R89.8Confident86.9Confident84 Ų8450.7 Ų50.732%0.31725%0.25SS..Hα-helixtrans-56.1-28.8179-178.8177.6-721491.8114.6V412 R438 Y441 E442V412-R416 PolarHBondContact O-N 2.95Å; R416-R438 PolarHBondContact NH2-O 2.6Å; R416-Y441 HydrophobicContact CB-CD2 4Å; R416-Y441 HydrophobicContact CB-CE2 4.32Å; R416-Y441 HydrophobicContact CB-CG 4.19Å; R416-E442 IonicContact CZ-OE1 2.69Å; R416-E442 IonicContact NH1-OE1 2.67Å; R416-E442 PolarHBondContact NH1-OE1 2.85Å; R416-E442 IonicContact NH2-OE1 2.79Å; R416-E442 PolarHBondContact NH2-OE1 3.36Å
417R89.3Confident88.4Confident195 Ų19551.9 Ų51.974%0.73625%0.251SS*.Hα-helixtrans-85.8-12.6175.5-76.3-175.9-66.9171.4-0.5114G413 F414 G415G413-R417 WeakPolarHBondContact O-CG 3.49Å; G413-R417 PolarHBondContact O-NE 3.34Å; F414-R417 PolarHBondContact O-N 3.14Å; G415-R417 PolarHBondContact O-N 2.92Å; G415-R417 VanDerWaalsContact O-N 3.11Å
418T87.2Confident89.3Confident32 Ų3245.2 Ų45.220%0.19622%0.22CC..Hα-helixtrans-100.2-34.2178.6-53.80000111.3L240 W335 F414 G415L240-T418 HydrophobicContact CD1-CG2 4.11Å; L240-T418 HydrophobicContact CD2-CG2 4.06Å; L240-T418 HydrophobicContact CG-CG2 4.26Å; W335-T418 HydrophobicContact CH2-CG2 4.27Å; F414-T418 PolarHBondContact O-N 3.45Å; F414-T418 PolarHBondContact O-OG1 3.29Å; G415-T418 WeakPolarHBondContact O-CA 3.44Å; G415-T418 PolarHBondContact O-N 3.22Å
419D88.8Confident90Very high18 Ų1844.3 Ų44.310%0.09621%0.213CC..  trans-141.497.9177.1172.84000108.9G415 S421 G422 D423 Y424 Y441G415-D419 PolarHBondContact O-N 3.3Å; D419-S421 PolarHBondContact OD1-N 2.95Å; D419-S421 PolarHBondContact OD1-OG 3.49Å; D419-S421 VanDerWaalsContact OD1-OG 3.11Å; D419-G422 PolarHBondContact OD1-N 3.3Å; D419-G422 VanDerWaalsContact OD2-C 3.29Å; D419-G422 WeakPolarHBondContact OD2-CA 3.39Å; D419-D423 PolarHBondContact OD1-N 3.28Å; D419-D423 PolarHBondContact OD2-N 3.09Å; D419-Y424 WeakPolarHBondContact OD2-CB 3.27Å; D419-Y424 PolarHBondContact OD2-N 2.83Å; D419-Y441 WeakPolarHBondContact CB-OH 3.45Å; D419-Y441 VanDerWaalsContact O-CE2 3.28Å; D419-Y441 WeakPolarHBondContact O-CE2 3.41Å; D419-Y441 PolarHBondContact O-OH 2.92Å
420P88.9Confident90.4Very high97 Ų9744.6 Ų44.663%0.6322%0.224SC*.SBendtrans-74.6-17.2-179.7-2235.3000115.3
421S88.6Confident90.6Very high37 Ų3747 Ų4726%0.25923%0.233SC..SBendtrans-87.1-25.8175.340.60000112.7D419 D423 R426 N437D419-S421 PolarHBondContact OD1-N 2.95Å; D419-S421 PolarHBondContact OD1-OG 3.49Å; D419-S421 VanDerWaalsContact OD1-OG 3.11Å; S421-D423 VanDerWaalsContact C-N 3.35Å; S421-D423 WeakPolarHBondContact CB-OD2 3.44Å; S421-D423 VanDerWaalsContact OG-CG 3.32Å; S421-D423 PolarHBondContact OG-OD2 2.8Å; S421-R426 PolarHBondContact O-NH2 2.97Å; S421-R426 VanDerWaalsContact O-NH2 3.1Å; S421-N437 PolarHBondContact O-OD1 3.1Å
422G89.8Confident90.7Very high0 Ų046.8 Ų46.80%023%0.232CC..  trans78.118.5-177.700000113.2D419 Y424 I425 R426D419-G422 PolarHBondContact OD1-N 3.3Å; D419-G422 VanDerWaalsContact OD2-C 3.29Å; D419-G422 WeakPolarHBondContact OD2-CA 3.39Å; G422-Y424 PolarHBondContact O-N 3.31Å; G422-I425 WeakPolarHBondContact O-CA 3.42Å; G422-I425 WeakPolarHBondContact O-CB 3.49Å; G422-I425 PolarHBondContact O-N 3.45Å; G422-R426 PolarHBondContact O-N 2.94Å
423D91.5Very high90.7Very high76 Ų7651.2 Ų51.241%0.40625%0.25SC..Hα-helixtrans-62.2-28.6-175.6-60.3-39.3000112.2D419 S421 I425 R426 R427D419-D423 PolarHBondContact OD1-N 3.28Å; D419-D423 PolarHBondContact OD2-N 3.09Å; S421-D423 VanDerWaalsContact C-N 3.35Å; S421-D423 WeakPolarHBondContact CB-OD2 3.44Å; S421-D423 VanDerWaalsContact OG-CG 3.32Å; S421-D423 PolarHBondContact OG-OD2 2.8Å; D423-I425 VanDerWaalsContact C-N 3.35Å; D423-R426 PolarHBondContact O-N 3.24Å; D423-R426 IonicContact OD1-NE 2.68Å; D423-R426 PolarHBondContact OD1-NE 3.47Å; D423-R427 WeakPolarHBondContact O-CB 3.25Å; D423-R427 PolarHBondContact O-N 3.38Å
424Y92.5Very high90.9Very high0 Ų054.1 Ų54.10%026%0.26CS..Hα-helixtrans-60.3-42.6169.9-177.7-96.7000112L240 Y241 W335 A338 I339 Q342 D419 G422 Y428L240-Y424 HydrophobicContact CB-CD2 3.64Å; L240-Y424 HydrophobicContact CB-CE2 3.54Å; L240-Y424 HydrophobicContact CD1-CD1 4.2Å; L240-Y424 HydrophobicContact CD1-CD2 3.69Å; L240-Y424 HydrophobicContact CD1-CE2 4.05Å; L240-Y424 HydrophobicContact CD1-CG 3.77Å; L240-Y424 HydrophobicContact CG-CD2 4.33Å; L240-Y424 HydrophobicContact CG-CE2 4.41Å; Y241-Y424 HydrophobicContact CD1-CD2 4.3Å; Y241-Y424 AromaticContact CE1-CD2 3.75Å; Y241-Y424 HydrophobicContact CE1-CD2 3.75Å; Y241-Y424 HydrophobicContact CE1-CE2 4.49Å; Y241-Y424 WeakPolarHBondContact OH-CA 3.38Å; Y241-Y424 PolarHBondContact OH-N 2.81Å; W335-Y424 HydrophobicContact CE3-CD1 4.11Å; W335-Y424 HydrophobicContact CE3-CE1 4.31Å; W335-Y424 AromaticContact CZ3-CD1 3.81Å; W335-Y424 HydrophobicContact CZ3-CD1 3.81Å; W335-Y424 HydrophobicContact CZ3-CE1 4.05Å; A338-Y424 HydrophobicContact CB-CD1 3.92Å; A338-Y424 HydrophobicContact CB-CE1 3.68Å; I339-Y424 WeakPolarHBondContact CA-OH 3.33Å; I339-Y424 HydrophobicContact CG1-CE1 3.93Å; Q342-Y424 PolarHBondContact OE1-OH 3.2Å; D419-Y424 WeakPolarHBondContact OD2-CB 3.27Å; D419-Y424 PolarHBondContact OD2-N 2.83Å; G422-Y424 PolarHBondContact O-N 3.31Å; Y424-Y428 HydrophobicContact CD1-CD2 4.44Å; Y424-Y428 AromaticContact CD2-CD2 3.92Å; Y424-Y428 HydrophobicContact CD2-CD2 3.92Å; Y424-Y428 AromaticContact CD2-CE2 3.68Å; Y424-Y428 HydrophobicContact CD2-CE2 3.68Å; Y424-Y428 HydrophobicContact CE1-CD2 4.3Å; Y424-Y428 AromaticContact CE2-CD2 3.75Å; Y424-Y428 HydrophobicContact CE2-CD2 3.75Å; Y424-Y428 AromaticContact CE2-CE2 3.43Å; Y424-Y428 HydrophobicContact CE2-CE2 3.43Å; Y424-Y428 VanDerWaalsContact CE2-CE2 3.43Å; Y424-Y428 HydrophobicContact CG-CD2 4.27Å; Y424-Y428 HydrophobicContact CG-CE2 4.46Å; Y424-Y428 AromaticContact CZ-CD2 3.95Å; Y424-Y428 VanDerWaalsContact O-CD2 3.3Å; Y424-Y428 WeakPolarHBondContact O-CD2 3.35Å; Y424-Y428 PolarHBondContact O-N 3.33Å
425I93.3Very high90.9Very high0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-68.4-44.8174.8-66.1166000110.1P334 A338 G422 D423 R427 Y428 I429 L432 I440 Y441P334-I425 HydrophobicContact CB-CD1 3.85Å; P334-I425 HydrophobicContact CB-CG1 4.26Å; P334-I425 HydrophobicContact CB-CG2 3.83Å; A338-I425 HydrophobicContact CB-CG1 4.24Å; G422-I425 WeakPolarHBondContact O-CA 3.42Å; G422-I425 WeakPolarHBondContact O-CB 3.49Å; G422-I425 PolarHBondContact O-N 3.45Å; D423-I425 VanDerWaalsContact C-N 3.35Å; I425-R427 PolarHBondContact O-N 3.14Å; I425-Y428 PolarHBondContact O-N 3.44Å; I425-I429 HydrophobicContact CG2-CB 4.38Å; I425-I429 HydrophobicContact CG2-CD1 4.39Å; I425-I429 CarbonylContact O-C 3.34Å; I425-I429 WeakPolarHBondContact O-CA 3.33Å; I425-I429 PolarHBondContact O-N 3.36Å; I425-L432 HydrophobicContact CG2-CB 4.27Å; I425-L432 HydrophobicContact CG2-CD1 4.08Å; I425-I440 HydrophobicContact CB-CD1 4.03Å; I425-I440 HydrophobicContact CB-CG1 4.03Å; I425-I440 HydrophobicContact CD1-CG1 4.25Å; I425-I440 HydrophobicContact CG2-CD1 4Å; I425-I440 HydrophobicContact CG2-CG1 3.73Å; I425-Y441 HydrophobicContact CD1-CD1 3.57Å; I425-Y441 HydrophobicContact CD1-CD2 4.36Å; I425-Y441 HydrophobicContact CD1-CE1 3.26Å; I425-Y441 HydrophobicContact CD1-CE2 4.13Å; I425-Y441 HydrophobicContact CD1-CG 4.08Å; I425-Y441 HydrophobicContact CG1-CE1 4.33Å
426R93.5Very high91.1Very high50 Ų5056.1 Ų56.119%0.18927%0.274CS..Hα-helixtrans-57.3-36.2178.3-58.2179.2-164.6-69-13.4112.3S421 G422 D423 K433 F435 N437 I440S421-R426 PolarHBondContact O-NH2 2.97Å; S421-R426 VanDerWaalsContact O-NH2 3.1Å; G422-R426 PolarHBondContact O-N 2.94Å; D423-R426 PolarHBondContact O-N 3.24Å; D423-R426 IonicContact OD1-NE 2.68Å; D423-R426 PolarHBondContact OD1-NE 3.47Å; R426-K433 PolarHBondContact NH1-O 2.91Å; R426-F435 PolarHBondContact NH1-O 3.36Å; R426-F435 PolarHBondContact NH2-O 2.87Å; R426-N437 PolarHBondContact NH2-OD1 2.81Å; R426-I440 HydrophobicContact CG-CD1 3.52Å
427R92.4Very high91.1Very high146 Ų14655.9 Ų55.955%0.55128%0.279SS*.Hα-helixtrans-71.2-50.7179.1-174.6-170.8177.995.9-2.2112.8Y241 D423 I425Y241-R427 VanDerWaalsContact CE1-CD 3.44Å; D423-R427 WeakPolarHBondContact O-CB 3.25Å; D423-R427 PolarHBondContact O-N 3.38Å; I425-R427 PolarHBondContact O-N 3.14Å
428Y92.8Very high91.2Very high7 Ų755.2 Ų55.23%0.02728%0.276CS..Hα-helixtrans-91.2-19.2-173.4-64.5-68.7000113.8Y241 T341 Q342 E346 Y424 I425Y241-Y428 HydrophobicContact CD1-CE2 4.12Å; Y241-Y428 AromaticContact CE1-CE2 3.96Å; Y241-Y428 HydrophobicContact CE1-CE2 3.96Å; T341-Y428 WeakPolarHBondContact CG2-O 3.42Å; Q342-Y428 HydrophobicContact CB-CD1 3.99Å; Q342-Y428 HydrophobicContact CB-CD2 4.21Å; Q342-Y428 HydrophobicContact CB-CE1 3.83Å; Q342-Y428 HydrophobicContact CB-CE2 4.07Å; Q342-Y428 HydrophobicContact CB-CG 4.2Å; Q342-Y428 HydrophobicContact CG-CD1 4.47Å; Q342-Y428 HydrophobicContact CG-CE1 3.8Å; Q342-Y428 HydrophobicContact CG-CE2 4.08Å; Q342-Y428 PolarHBondContact NE2-OH 2.95Å; E346-Y428 VanDerWaalsContact CD-OH 3.26Å; E346-Y428 WeakPolarHBondContact OE1-CE1 3.35Å; E346-Y428 PolarHBondContact OE1-OH 2.95Å; E346-Y428 PolarHBondContact OE2-OH 3.38Å; Y424-Y428 HydrophobicContact CD1-CD2 4.44Å; Y424-Y428 AromaticContact CD2-CD2 3.92Å; Y424-Y428 HydrophobicContact CD2-CD2 3.92Å; Y424-Y428 AromaticContact CD2-CE2 3.68Å; Y424-Y428 HydrophobicContact CD2-CE2 3.68Å; Y424-Y428 HydrophobicContact CE1-CD2 4.3Å; Y424-Y428 AromaticContact CE2-CD2 3.75Å; Y424-Y428 HydrophobicContact CE2-CD2 3.75Å; Y424-Y428 AromaticContact CE2-CE2 3.43Å; Y424-Y428 HydrophobicContact CE2-CE2 3.43Å; Y424-Y428 VanDerWaalsContact CE2-CE2 3.43Å; Y424-Y428 HydrophobicContact CG-CD2 4.27Å; Y424-Y428 HydrophobicContact CG-CE2 4.46Å; Y424-Y428 AromaticContact CZ-CD2 3.95Å; Y424-Y428 VanDerWaalsContact O-CD2 3.3Å; Y424-Y428 WeakPolarHBondContact O-CD2 3.35Å; Y424-Y428 PolarHBondContact O-N 3.33Å; I425-Y428 PolarHBondContact O-N 3.44Å
429I94.1Very high91.5Very high15 Ų1555.6 Ų55.68%0.07728%0.275CS..  trans-123.878.5171.1-46.4180000109.6P334 D337 A338 I425 I431 L432 Y462P334-I429 HydrophobicContact CB-CD1 4.22Å; P334-I429 WeakPolarHBondContact O-CD1 3.43Å; D337-I429 HydrophobicContact CB-CD1 3.67Å; A338-I429 HydrophobicContact CB-CD1 4.19Å; A338-I429 HydrophobicContact CB-CG1 4.19Å; I425-I429 HydrophobicContact CG2-CB 4.38Å; I425-I429 HydrophobicContact CG2-CD1 4.39Å; I425-I429 CarbonylContact O-C 3.34Å; I425-I429 WeakPolarHBondContact O-CA 3.33Å; I425-I429 PolarHBondContact O-N 3.36Å; I429-I431 HydrophobicContact CG2-CB 4.45Å; I429-I431 PolarHBondContact O-N 2.96Å; I429-L432 HydrophobicContact CB-CD1 4.38Å; I429-L432 HydrophobicContact CD1-CD1 4.29Å; I429-L432 HydrophobicContact CG2-CB 4.35Å; I429-L432 HydrophobicContact CG2-CD1 3.92Å; I429-L432 HydrophobicContact CG2-CG 3.88Å; I429-L432 PolarHBondContact O-N 3.42Å; I429-Y462 HydrophobicContact CD1-CE2 4.22Å; I429-Y462 HydrophobicContact CG2-CD2 4.31Å; I429-Y462 HydrophobicContact CG2-CE2 4.36Å
430P91.9Very high91.7Very high80 Ų8054.8 Ų54.852%0.51927%0.27SS..G310 helixtrans-61.6-17-177.4-25.336.1000115L432 K433P430-L432 PolarHBondContact O-N 3.43Å; P430-K433 WeakPolarHBondContact O-CB 3.22Å; P430-K433 WeakPolarHBondContact O-CD 3.34Å; P430-K433 WeakPolarHBondContact O-CG 3.31Å; P430-K433 PolarHBondContact O-N 3.2Å
431I92.4Very high91.9Very high91 Ų9150.3 Ų50.347%0.46724%0.241SC..G310 helixtrans-65.1-29.9173.7-58.9173.5000110.9I429 C456 D461I429-I431 HydrophobicContact CG2-CB 4.45Å; I429-I431 PolarHBondContact O-N 2.96Å; I431-C456 HydrophobicContact CG2-CB 3.93Å; I431-D461 HydrophobicContact CG2-CB 4.18Å
432L91.3Very high92.1Very high0 Ų050.4 Ų50.40%024%0.237CC..G310 helixtrans-94.27178.3-61.3176.9000113.1P334 I425 I429 P430 D434 F435 P443 Y462P334-L432 HydrophobicContact CB-CD1 3.67Å; P334-L432 HydrophobicContact CG-CD1 3.55Å; I425-L432 HydrophobicContact CG2-CB 4.27Å; I425-L432 HydrophobicContact CG2-CD1 4.08Å; I429-L432 HydrophobicContact CB-CD1 4.38Å; I429-L432 HydrophobicContact CD1-CD1 4.29Å; I429-L432 HydrophobicContact CG2-CB 4.35Å; I429-L432 HydrophobicContact CG2-CD1 3.92Å; I429-L432 HydrophobicContact CG2-CG 3.88Å; I429-L432 PolarHBondContact O-N 3.42Å; P430-L432 PolarHBondContact O-N 3.43Å; L432-D434 PolarHBondContact O-N 2.98Å; L432-D434 VanDerWaalsContact O-N 3.09Å; L432-F435 HydrophobicContact CB-CD2 4.33Å; L432-F435 HydrophobicContact CD2-CD2 3.79Å; L432-F435 HydrophobicContact CD2-CE2 3.6Å; L432-F435 HydrophobicContact CD2-CZ 4.28Å; L432-F435 PolarHBondContact O-N 3.06Å; L432-P443 HydrophobicContact CD2-CB 4.35Å; L432-P443 HydrophobicContact CD2-CG 4.41Å; L432-Y462 HydrophobicContact CD1-CD1 4.41Å; L432-Y462 HydrophobicContact CD1-CD2 4.09Å; L432-Y462 HydrophobicContact CD1-CE1 4.3Å; L432-Y462 HydrophobicContact CD1-CE2 4.04Å; L432-Y462 HydrophobicContact CD1-CG 4.32Å; L432-Y462 HydrophobicContact CD2-CD1 4.27Å; L432-Y462 HydrophobicContact CD2-CD2 4.47Å; L432-Y462 HydrophobicContact CD2-CG 4.05Å; L432-Y462 HydrophobicContact CG-CD2 4.34Å; L432-Y462 HydrophobicContact CG-CG 4.41Å
433K91.7Very high92.3Very high114 Ų11450.4 Ų50.450%0.49624%0.237SC..THydrogen-bonded Turntrans-57.6-28.4-172.176.1-174.6-173.1-179.50114.1R426 P430R426-K433 PolarHBondContact NH1-O 2.91Å; P430-K433 WeakPolarHBondContact O-CB 3.22Å; P430-K433 WeakPolarHBondContact O-CD 3.34Å; P430-K433 WeakPolarHBondContact O-CG 3.31Å; P430-K433 PolarHBondContact O-N 3.2Å
434D91.3Very high92.3Very high83 Ų8350.1 Ų50.144%0.44423%0.231SC..THydrogen-bonded Turntrans-98-2.1-173.5-63.1-39000113.1L432 A454L432-D434 PolarHBondContact O-N 2.98Å; L432-D434 VanDerWaalsContact O-N 3.09Å; D434-A454 HydrophobicContact CB-CB 4.2Å
435F90.4Very high92.3Very high1 Ų154.3 Ų54.30%0.00425%0.253CS..SBendtrans-70.7140.6175.2-85-103.1000111.9R426 L432 I440 P443 A446 L450 Q451 A454 C456 V458R426-F435 PolarHBondContact NH1-O 3.36Å; R426-F435 PolarHBondContact NH2-O 2.87Å; L432-F435 HydrophobicContact CB-CD2 4.33Å; L432-F435 HydrophobicContact CD2-CD2 3.79Å; L432-F435 HydrophobicContact CD2-CE2 3.6Å; L432-F435 HydrophobicContact CD2-CZ 4.28Å; L432-F435 PolarHBondContact O-N 3.06Å; F435-I440 HydrophobicContact CB-CB 4.31Å; F435-P443 HydrophobicContact CD1-CB 4Å; F435-P443 HydrophobicContact CE1-CB 3.59Å; F435-P443 HydrophobicContact CZ-CB 3.97Å; F435-A446 HydrophobicContact CD1-CB 4.4Å; F435-A446 HydrophobicContact CE1-CB 3.88Å; F435-L450 HydrophobicContact CD1-CD2 4.17Å; F435-L450 HydrophobicContact CE1-CD2 4.36Å; F435-Q451 HydrophobicContact CE1-CG 4.38Å; F435-Q451 HydrophobicContact CZ-CG 4.3Å; F435-A454 HydrophobicContact CD2-CB 3.86Å; F435-A454 HydrophobicContact CE2-CB 3.89Å; F435-A454 HydrophobicContact CG-CB 4.35Å; F435-A454 HydrophobicContact CZ-CB 4.39Å; F435-C456 HydrophobicContact CE2-CB 3.89Å; F435-V458 HydrophobicContact CZ-CG2 4.43Å
436P91.5Very high92.2Very high52 Ų5254.6 Ų54.634%0.33826%0.255SS..  trans-70.9152.9174.733.1-38.2000111.3R438 Y439 I440 L450P436-R438 PolarHBondContact O-N 3.01Å; P436-Y439 HydrophobicContact CG-CD2 3.9Å; P436-Y439 PolarHBondContact O-N 2.85Å; P436-I440 PolarHBondContact O-N 3.33Å; P436-L450 HydrophobicContact CG-CD1 4.06Å; P436-L450 HydrophobicContact CG-CD2 4.09Å
437N90.8Very high92.2Very high80 Ų8055.3 Ų55.343%0.42827%0.267SS..THydrogen-bonded Turntrans-54.4-28.4-174.3-51.28.5000113.5S421 R426 Y439S421-N437 PolarHBondContact O-OD1 3.1Å; R426-N437 PolarHBondContact NH2-OD1 2.81Å; N437-Y439 VanDerWaalsContact C-N 3.34Å; N437-Y439 PolarHBondContact O-N 3.11Å
438R90.8Very high92Very high180 Ų18054.6 Ų54.668%0.67927%0.269SS*.THydrogen-bonded Turntrans-59.5-42.3174.2-175175.3-177.9170.51.1112.3R416 P436R416-R438 PolarHBondContact NH2-O 2.6Å; P436-R438 PolarHBondContact O-N 3.01Å
439Y92.6Very high91.9Very high41 Ų4158.6 Ų58.616%0.16130%0.298CS..THydrogen-bonded Turntrans-107.1-12-171.4-65.2-65.3000114.4P436 N437 Y441 E442 P443 N445 A446 L450P436-Y439 HydrophobicContact CG-CD2 3.9Å; P436-Y439 PolarHBondContact O-N 2.85Å; N437-Y439 VanDerWaalsContact C-N 3.34Å; N437-Y439 PolarHBondContact O-N 3.11Å; Y439-Y441 PolarHBondContact O-N 3.32Å; Y439-Y441 VanDerWaalsContact O-N 3.09Å; Y439-E442 CarbonylContact O-C 3.31Å; Y439-E442 PolarHBondContact O-N 3.19Å; Y439-P443 VanDerWaalsContact O-CA 3.31Å; Y439-P443 WeakPolarHBondContact O-CA 3.28Å; Y439-P443 WeakPolarHBondContact O-CD 3.25Å; Y439-N445 HydrophobicContact CD1-CB 4.36Å; Y439-N445 HydrophobicContact CE1-CB 4.36Å; Y439-N445 WeakPolarHBondContact CE1-O 3.14Å; Y439-A446 HydrophobicContact CD1-CB 4.16Å; Y439-A446 HydrophobicContact CD2-CB 4.24Å; Y439-A446 HydrophobicContact CG-CB 3.91Å; Y439-L450 HydrophobicContact CD2-CD1 4.16Å; Y439-L450 HydrophobicContact CE2-CD1 4.21Å
440I93.4Very high91.8Very high0 Ų060.1 Ų60.10%031%0.306CS..THydrogen-bonded Turntrans-59.2-25.8-177.2-166.3163.2000114.5P334 I425 R426 F435 P436P334-I440 WeakPolarHBondContact CB-O 3.36Å; P334-I440 WeakPolarHBondContact CG-O 3.12Å; I425-I440 HydrophobicContact CB-CD1 4.03Å; I425-I440 HydrophobicContact CB-CG1 4.03Å; I425-I440 HydrophobicContact CD1-CG1 4.25Å; I425-I440 HydrophobicContact CG2-CD1 4Å; I425-I440 HydrophobicContact CG2-CG1 3.73Å; R426-I440 HydrophobicContact CG-CD1 3.52Å; F435-I440 HydrophobicContact CB-CB 4.31Å; P436-I440 PolarHBondContact O-N 3.33Å
441Y93.2Very high91.7Very high3 Ų357.2 Ų57.21%0.01229%0.286CS..THydrogen-bonded Turntrans-88.9-12.4173.8-74.6-80.9000114.4W335 G415 R416 D419 I425 Y439W335-Y441 HydrophobicContact CB-CD1 4.19Å; W335-Y441 HydrophobicContact CB-CE1 4.19Å; W335-Y441 HydrophobicContact CD2-CE1 4.49Å; W335-Y441 HydrophobicContact CE3-CE1 4.04Å; G415-Y441 VanDerWaalsContact CA-CE1 3.4Å; R416-Y441 HydrophobicContact CB-CD2 4Å; R416-Y441 HydrophobicContact CB-CE2 4.32Å; R416-Y441 HydrophobicContact CB-CG 4.19Å; D419-Y441 WeakPolarHBondContact CB-OH 3.45Å; D419-Y441 VanDerWaalsContact O-CE2 3.28Å; D419-Y441 WeakPolarHBondContact O-CE2 3.41Å; D419-Y441 PolarHBondContact O-OH 2.92Å; I425-Y441 HydrophobicContact CD1-CD1 3.57Å; I425-Y441 HydrophobicContact CD1-CD2 4.36Å; I425-Y441 HydrophobicContact CD1-CE1 3.26Å; I425-Y441 HydrophobicContact CD1-CE2 4.13Å; I425-Y441 HydrophobicContact CD1-CG 4.08Å; I425-Y441 HydrophobicContact CG1-CE1 4.33Å; Y439-Y441 PolarHBondContact O-N 3.32Å; Y439-Y441 VanDerWaalsContact O-N 3.09Å
442E93.4Very high91.5Very high40 Ų4058.9 Ų58.919%0.18729%0.29CS..  trans-147.956.8-175.954.9-176.9117.300111.8V412 R416 Y439 W444 N445V412-E442 HydrophobicContact CG1-CB 4.25Å; R416-E442 IonicContact CZ-OE1 2.69Å; R416-E442 IonicContact NH1-OE1 2.67Å; R416-E442 PolarHBondContact NH1-OE1 2.85Å; R416-E442 IonicContact NH2-OE1 2.79Å; R416-E442 PolarHBondContact NH2-OE1 3.36Å; Y439-E442 CarbonylContact O-C 3.31Å; Y439-E442 PolarHBondContact O-N 3.19Å; E442-W444 HydrophobicContact CB-CD2 4.39Å; E442-W444 HydrophobicContact CB-CH2 3.96Å; E442-W444 HydrophobicContact CB-CZ2 3.62Å; E442-W444 HydrophobicContact CB-CZ3 4.44Å; E442-W444 PolarHBondContact O-N 2.87Å; E442-W444 VanDerWaalsContact O-N 3.11Å; E442-N445 HydrophobicContact CG-CB 4.47Å; E442-N445 WeakPolarHBondContact O-CB 3.37Å; E442-N445 PolarHBondContact O-N 3.47Å; E442-N445 PolarHBondContact OE2-ND2 2.92Å
443P92.6Very high91.4Very high0 Ų062.7 Ų62.70%032%0.321CS..G310 helixtrans-65.1-22-167.825.5-36.6000113.4P334 L432 F435 Y439 N445 A446 V458 Y462P334-P443 HydrophobicContact CG-CG 3.72Å; L432-P443 HydrophobicContact CD2-CB 4.35Å; L432-P443 HydrophobicContact CD2-CG 4.41Å; F435-P443 HydrophobicContact CD1-CB 4Å; F435-P443 HydrophobicContact CE1-CB 3.59Å; F435-P443 HydrophobicContact CZ-CB 3.97Å; Y439-P443 VanDerWaalsContact O-CA 3.31Å; Y439-P443 WeakPolarHBondContact O-CA 3.28Å; Y439-P443 WeakPolarHBondContact O-CD 3.25Å; P443-N445 PolarHBondContact O-N 2.96Å; P443-A446 VanDerWaalsContact O-CB 3.23Å; P443-A446 WeakPolarHBondContact O-CB 3.44Å; P443-A446 PolarHBondContact O-N 3.09Å; P443-V458 HydrophobicContact CB-CG2 3.98Å; P443-Y462 HydrophobicContact CG-CD1 4.16Å; P443-Y462 HydrophobicContact CG-CE1 4.01Å
444W92.3Very high91.2Very high70 Ų7057.4 Ų57.427%0.26530%0.299SS..G310 helixtrans-63.2-21.5172.259.887.1000113.7G332 F333 V412 E442 V458 P465G332-W444 WeakPolarHBondContact O-CZ3 3.48Å; F333-W444 AromaticContact CD1-CH2 3.67Å; F333-W444 HydrophobicContact CD1-CH2 3.67Å; F333-W444 HydrophobicContact CD1-CZ3 4.26Å; F333-W444 AromaticContact CE1-CH2 3.84Å; F333-W444 HydrophobicContact CE1-CH2 3.84Å; F333-W444 HydrophobicContact CE1-CZ2 4.26Å; V412-W444 HydrophobicContact CG2-CH2 3.76Å; V412-W444 HydrophobicContact CG2-CZ2 3.93Å; E442-W444 HydrophobicContact CB-CD2 4.39Å; E442-W444 HydrophobicContact CB-CH2 3.96Å; E442-W444 HydrophobicContact CB-CZ2 3.62Å; E442-W444 HydrophobicContact CB-CZ3 4.44Å; E442-W444 PolarHBondContact O-N 2.87Å; E442-W444 VanDerWaalsContact O-N 3.11Å; W444-V458 HydrophobicContact CB-CG1 4.17Å; W444-P465 HydrophobicContact CB-CG 4.24Å; W444-P465 HydrophobicContact CD2-CG 3.33Å; W444-P465 HydrophobicContact CE3-CG 3.3Å; W444-P465 HydrophobicContact CG-CG 3.75Å; W444-P465 HydrophobicContact CH2-CG 4.22Å; W444-P465 HydrophobicContact CZ2-CG 4.28Å; W444-P465 HydrophobicContact CZ3-CG 3.77Å
445N92.6Very high91.1Very high88 Ų8859.7 Ų59.747%0.47131%0.311SS..G310 helixtrans-89.21.7174.5-74.9-17.2000112.9Y439 E442 P443Y439-N445 HydrophobicContact CD1-CB 4.36Å; Y439-N445 HydrophobicContact CE1-CB 4.36Å; Y439-N445 WeakPolarHBondContact CE1-O 3.14Å; E442-N445 HydrophobicContact CG-CB 4.47Å; E442-N445 WeakPolarHBondContact O-CB 3.37Å; E442-N445 PolarHBondContact O-N 3.47Å; E442-N445 PolarHBondContact OE2-ND2 2.92Å; P443-N445 PolarHBondContact O-N 2.96Å
446A90.6Very high91Very high6 Ų659.6 Ų59.65%0.0531%0.311CS..SBendtrans-78.9136.3174.200000111.5F435 Y439 P443 L450 Q451F435-A446 HydrophobicContact CD1-CB 4.4Å; F435-A446 HydrophobicContact CE1-CB 3.88Å; Y439-A446 HydrophobicContact CD1-CB 4.16Å; Y439-A446 HydrophobicContact CD2-CB 4.24Å; Y439-A446 HydrophobicContact CG-CB 3.91Å; P443-A446 VanDerWaalsContact O-CB 3.23Å; P443-A446 WeakPolarHBondContact O-CB 3.44Å; P443-A446 PolarHBondContact O-N 3.09Å; A446-L450 HydrophobicContact CB-CD2 4Å; A446-Q451 HydrophobicContact CB-CG 4.07Å; A446-Q451 PolarHBondContact O-NE2 2.94Å
447P93.7Very high91Very high65 Ų6559.7 Ų59.742%0.42231%0.31SS..  trans-58149.6173.2-24.534.3000112.9S449 L450 Q451P447-S449 VanDerWaalsContact C-N 3.26Å; P447-S449 PolarHBondContact O-N 2.8Å; P447-L450 WeakPolarHBondContact O-CA 3.35Å; P447-L450 WeakPolarHBondContact O-CB 3.47Å; P447-L450 PolarHBondContact O-N 3.25Å; P447-Q451 PolarHBondContact O-N 3.31Å
448E89.7Confident91Very high131 Ų13156.4 Ų56.461%0.61229%0.293SS*.Hα-helixtrans-55.7-37.8-179.9-73.5-167.3-159.500114L450 Q451 K452E448-L450 PolarHBondContact O-N 2.89Å; E448-Q451 PolarHBondContact O-N 2.97Å; E448-K452 WeakPolarHBondContact O-CB 3.31Å; E448-K452 WeakPolarHBondContact O-CD 3.49Å; E448-K452 VanDerWaalsContact O-CG 3.3Å; E448-K452 WeakPolarHBondContact O-CG 3.36Å; E448-K452 PolarHBondContact O-N 3.12Å; E448-K452 IonicContact OE2-NZ 2.74Å; E448-K452 PolarHBondContact OE2-NZ 2.94Å
449S90.7Very high90.9Very high90 Ų9050 Ų5063%0.62928%0.283SS*.Hα-helixtrans-60.2-34.1176.349.60000111.9P447 A453P447-S449 VanDerWaalsContact C-N 3.26Å; P447-S449 PolarHBondContact O-N 2.8Å; S449-A453 WeakPolarHBondContact O-CB 3.4Å; S449-A453 PolarHBondContact O-N 3.19Å
450L90.6Very high90.7Very high47 Ų4753.6 Ų53.625%0.24631%0.309CS..Hα-helixtrans-78.5-40.3177.3-164.2148.3000111.7F435 P436 Y439 A446 P447 E448 K452 A453 A454F435-L450 HydrophobicContact CD1-CD2 4.17Å; F435-L450 HydrophobicContact CE1-CD2 4.36Å; P436-L450 HydrophobicContact CG-CD1 4.06Å; P436-L450 HydrophobicContact CG-CD2 4.09Å; Y439-L450 HydrophobicContact CD2-CD1 4.16Å; Y439-L450 HydrophobicContact CE2-CD1 4.21Å; A446-L450 HydrophobicContact CB-CD2 4Å; P447-L450 WeakPolarHBondContact O-CA 3.35Å; P447-L450 WeakPolarHBondContact O-CB 3.47Å; P447-L450 PolarHBondContact O-N 3.25Å; E448-L450 PolarHBondContact O-N 2.89Å; L450-K452 VanDerWaalsContact C-N 3.32Å; L450-K452 PolarHBondContact O-N 2.77Å; L450-A453 PolarHBondContact O-N 3.35Å; L450-A454 WeakPolarHBondContact O-CB 3.48Å; L450-A454 PolarHBondContact O-N 3.42Å
451Q89.8Confident90.6Very high20 Ų2057.3 Ų57.39%0.09333%0.329CS..Hα-helixtrans-60.3-42.2173.5-66.1-175.536.400111.6F435 A446 P447 E448 A454 N455 C456F435-Q451 HydrophobicContact CE1-CG 4.38Å; F435-Q451 HydrophobicContact CZ-CG 4.3Å; A446-Q451 HydrophobicContact CB-CG 4.07Å; A446-Q451 PolarHBondContact O-NE2 2.94Å; P447-Q451 PolarHBondContact O-N 3.31Å; E448-Q451 PolarHBondContact O-N 2.97Å; Q451-A454 CarbonylContact O-C 3.4Å; Q451-A454 PolarHBondContact O-N 2.86Å; Q451-N455 PolarHBondContact O-N 3.43Å; Q451-C456 WeakPolarHBondContact CB-O 3.15Å; Q451-C456 PolarHBondContact O-N 3.22Å; Q451-C456 VanDerWaalsContact O-N 3.1Å
452K88.9Confident90.6Very high125 Ų12557.6 Ų57.654%0.54333%0.33SS..Hα-helixtrans-64.6-42.7173.8-72161.8-179.7160.30111.6E448 L450 A454 N455E448-K452 WeakPolarHBondContact O-CB 3.31Å; E448-K452 WeakPolarHBondContact O-CD 3.49Å; E448-K452 VanDerWaalsContact O-CG 3.3Å; E448-K452 WeakPolarHBondContact O-CG 3.36Å; E448-K452 PolarHBondContact O-N 3.12Å; E448-K452 IonicContact OE2-NZ 2.74Å; E448-K452 PolarHBondContact OE2-NZ 2.94Å; L450-K452 VanDerWaalsContact C-N 3.32Å; L450-K452 PolarHBondContact O-N 2.77Å; K452-A454 VanDerWaalsContact C-N 3.33Å; K452-A454 PolarHBondContact O-N 3.11Å; K452-N455 PolarHBondContact O-N 2.84Å
453A89.4Confident90.6Very high80 Ų8058 Ų5866%0.66134%0.336SS*.Hα-helixtrans-66.3-30.8175.600000113.7S449 L450 N455S449-A453 WeakPolarHBondContact O-CB 3.4Å; S449-A453 PolarHBondContact O-N 3.19Å; L450-A453 PolarHBondContact O-N 3.35Å; A453-N455 VanDerWaalsContact C-N 3.3Å
454A86.8Confident90.7Very high4 Ų464.8 Ų64.83%0.03337%0.365CS..THydrogen-bonded Turntrans-85.96.1175.200000113.7D434 F435 L450 Q451 K452 C456D434-A454 HydrophobicContact CB-CB 4.2Å; F435-A454 HydrophobicContact CD2-CB 3.86Å; F435-A454 HydrophobicContact CE2-CB 3.89Å; F435-A454 HydrophobicContact CG-CB 4.35Å; F435-A454 HydrophobicContact CZ-CB 4.39Å; L450-A454 WeakPolarHBondContact O-CB 3.48Å; L450-A454 PolarHBondContact O-N 3.42Å; Q451-A454 CarbonylContact O-C 3.4Å; Q451-A454 PolarHBondContact O-N 2.86Å; K452-A454 VanDerWaalsContact C-N 3.33Å; K452-A454 PolarHBondContact O-N 3.11Å; A454-C456 PolarHBondContact O-N 3.23Å
455N88.6Confident90.8Very high130 Ų13063 Ų6370%0.69536%0.363SS*.THydrogen-bonded Turntrans52.133.1-178.8-56.6-71.2000114.7Q451 K452 A453Q451-N455 PolarHBondContact O-N 3.43Å; K452-N455 PolarHBondContact O-N 2.84Å; A453-N455 VanDerWaalsContact C-N 3.3Å
456C90Very high90.7Very high0 Ų061.2 Ų61.20%035%0.353CS..  trans-151.2111.8178.9159.30000110.8I431 F435 Q451 A454 D461I431-C456 HydrophobicContact CG2-CB 3.93Å; F435-C456 HydrophobicContact CE2-CB 3.89Å; Q451-C456 WeakPolarHBondContact CB-O 3.15Å; Q451-C456 PolarHBondContact O-N 3.22Å; Q451-C456 VanDerWaalsContact O-N 3.1Å; A454-C456 PolarHBondContact O-N 3.23Å; C456-D461 HydrophobicContact CB-CB 4.27Å
457V90.7Very high90.8Very high54 Ų5463.4 Ų63.433%0.32736%0.363SS..  trans-95.1124.8178.9-1790000110.5G459 V460 D461V457-G459 PolarHBondContact O-N 3.42Å; V457-V460 HydrophobicContact CB-CB 4.32Å; V457-V460 HydrophobicContact CB-CG2 4.46Å; V457-V460 HydrophobicContact CG1-CG2 4.21Å; V457-V460 PolarHBondContact O-N 3.03Å; V457-D461 PolarHBondContact N-OD2 2.9Å; V457-D461 PolarHBondContact O-N 2.81Å
458V91Very high90.8Very high10 Ų1064.1 Ų64.16%0.06136%0.363CS..BIsolated β-bridgetrans-77.2113.4-174.6-175.30000110.5F435 P443 W444 Y462 K464F435-V458 HydrophobicContact CZ-CG2 4.43Å; P443-V458 HydrophobicContact CB-CG2 3.98Å; W444-V458 HydrophobicContact CB-CG1 4.17Å; V458-Y462 CarbonylContact C-O 3.59Å; V458-K464 HydrophobicContact CG1-CG 3.99Å; V458-K464 WeakPolarHBondContact O-CE 3.48Å
459G88.1Confident90.8Very high45 Ų4559.5 Ų59.546%0.46434%0.341SS..THydrogen-bonded Turntrans109.8-5.4-167.400000114.2V457 Y462V457-G459 PolarHBondContact O-N 3.42Å; G459-Y462 PolarHBondContact N-O 3.41Å
460V89.6Confident90.8Very high117 Ų11758.3 Ų58.371%0.70934%0.337SS*.THydrogen-bonded Turntrans-122-66.7173.2-177.10000109.8V457V457-V460 HydrophobicContact CB-CB 4.32Å; V457-V460 HydrophobicContact CB-CG2 4.46Å; V457-V460 HydrophobicContact CG1-CG2 4.21Å; V457-V460 PolarHBondContact O-N 3.03Å
461D90.2Very high90.8Very high79 Ų7961.8 Ų61.842%0.42235%0.352SS..THydrogen-bonded Turntrans-86.5-28.6-174.4-50.5-68.4000112.6I431 C456 V457I431-D461 HydrophobicContact CG2-CB 4.18Å; C456-D461 HydrophobicContact CB-CB 4.27Å; V457-D461 PolarHBondContact N-OD2 2.9Å; V457-D461 PolarHBondContact O-N 2.81Å
462Y93.4Very high90.7Very high8 Ų861.6 Ų61.63%0.03136%0.355CS..BIsolated β-bridgetrans-135.5135.3175.1-179.4-100.2000109.7G332 F333 P334 D337 I429 L432 P443 V458 G459G332-Y462 VanDerWaalsContact CA-OH 3.31Å; G332-Y462 WeakPolarHBondContact CA-OH 3.41Å; G332-Y462 PolarHBondContact O-OH 3.44Å; F333-Y462 VanDerWaalsContact C-OH 3.28Å; F333-Y462 PolarHBondContact N-OH 3.45Å; P334-Y462 WeakPolarHBondContact CA-OH 3.31Å; P334-Y462 WeakPolarHBondContact CD-OH 3.49Å; P334-Y462 HydrophobicContact CG-CE1 3.93Å; P334-Y462 VanDerWaalsContact N-OH 3.12Å; D337-Y462 PolarHBondContact OD2-OH 3.26Å; I429-Y462 HydrophobicContact CD1-CE2 4.22Å; I429-Y462 HydrophobicContact CG2-CD2 4.31Å; I429-Y462 HydrophobicContact CG2-CE2 4.36Å; L432-Y462 HydrophobicContact CD1-CD1 4.41Å; L432-Y462 HydrophobicContact CD1-CD2 4.09Å; L432-Y462 HydrophobicContact CD1-CE1 4.3Å; L432-Y462 HydrophobicContact CD1-CE2 4.04Å; L432-Y462 HydrophobicContact CD1-CG 4.32Å; L432-Y462 HydrophobicContact CD2-CD1 4.27Å; L432-Y462 HydrophobicContact CD2-CD2 4.47Å; L432-Y462 HydrophobicContact CD2-CG 4.05Å; L432-Y462 HydrophobicContact CG-CD2 4.34Å; L432-Y462 HydrophobicContact CG-CG 4.41Å; P443-Y462 HydrophobicContact CG-CD1 4.16Å; P443-Y462 HydrophobicContact CG-CE1 4.01Å; V458-Y462 CarbonylContact C-O 3.59Å; G459-Y462 PolarHBondContact N-O 3.41Å
463P93.9Very high90.7Very high49 Ų4956.5 Ų56.532%0.31834%0.336SS..PPolyproline II helixtrans-61.3148-175.822.2-33.6000113.7R330 G332R330-P463 HydrophobicContact CB-CG 4.46Å; G332-P463 WeakPolarHBondContact CA-O 3.35Å
464K93.3Very high90.7Very high142 Ų14261.4 Ų61.462%0.61734%0.337SS*.PPolyproline II helixtrans-68.4151.9165.3-72.6175.3179.8-179.80109.9V458 M466V458-K464 HydrophobicContact CG1-CG 3.99Å; V458-K464 WeakPolarHBondContact O-CE 3.48Å; K464-M466 PolarHBondContact O-N 3.35Å
465P94.4Very high91Very high34 Ų3465.7 Ų65.722%0.22136%0.359CS..PPolyproline II helixtrans-49.4126.2173.3-29.736.3000112.1F333 W444 I467F333-P465 HydrophobicContact CE2-CB 3.89Å; F333-P465 HydrophobicContact CZ-CB 3.93Å; W444-P465 HydrophobicContact CB-CG 4.24Å; W444-P465 HydrophobicContact CD2-CG 3.33Å; W444-P465 HydrophobicContact CE3-CG 3.3Å; W444-P465 HydrophobicContact CG-CG 3.75Å; W444-P465 HydrophobicContact CH2-CG 4.22Å; W444-P465 HydrophobicContact CZ2-CG 4.28Å; W444-P465 HydrophobicContact CZ3-CG 3.77Å; P465-I467 PolarHBondContact O-N 3.43Å
466M92.2Very high91.1Very high50 Ų5059.8 Ų59.825%0.24633%0.327CS..SBendtrans-68.8-14-179.165.5-172.5-64.400114.2A322 K325 T331 F360 L366 K464A322-M466 HydrophobicContact CB-CE 3.51Å; K325-M466 HydrophobicContact CB-CE 4.08Å; K325-M466 HydrophobicContact CB-SD 4.31Å; K325-M466 HydrophobicContact CD-CE 4.29Å; T331-M466 HydrophobicContact CG2-SD 3.75Å; T331-M466 WeakPolarHBondContact O-CG 3.35Å; T331-M466 PolarHBondContact O-N 3.02Å; F360-M466 HydrophobicContact CE1-SD 4.13Å; F360-M466 HydrophobicContact CZ-SD 4.29Å; L366-M466 HydrophobicContact CD1-CE 3.9Å; L366-M466 HydrophobicContact CD1-SD 4.18Å; L366-M466 HydrophobicContact CD2-CE 3.54Å; L366-M466 HydrophobicContact CD2-CG 4.29Å; L366-M466 HydrophobicContact CD2-SD 3.87Å; L366-M466 HydrophobicContact CG-CE 4.4Å; K464-M466 PolarHBondContact O-N 3.35Å
467I92.2Very high91.1Very high51 Ų5161.7 Ų61.726%0.26234%0.337SS..SBendtrans-151166.3179.559.3162.7000110.9F333 F360 D365 L366 P465F333-I467 HydrophobicContact CE2-CG1 3.96Å; F333-I467 HydrophobicContact CZ-CG1 4.26Å; F360-I467 HydrophobicContact CE2-CD1 4.4Å; F360-I467 HydrophobicContact CZ-CD1 4.48Å; D365-I467 HydrophobicContact CB-CD1 3.49Å; D365-I467 VanDerWaalsContact CB-CD1 3.49Å; D365-I467 WeakPolarHBondContact OD1-CD1 3.27Å; L366-I467 HydrophobicContact CD2-CD1 4.28Å; L366-I467 HydrophobicContact CD2-CG2 4.12Å; P465-I467 PolarHBondContact O-N 3.43Å
468N92.6Very high91Very high80 Ų8062.7 Ų62.743%0.42834%0.338SS..  trans-90.5109.7160.7-177.6-4.3000110.6A470 E471 G472N468-A470 VanDerWaalsContact C-N 3.29Å; N468-A470 PolarHBondContact O-N 3.08Å; N468-A470 PolarHBondContact OD1-N 3.24Å; N468-A470 VanDerWaalsContact OD1-N 3.13Å; N468-E471 HydrophobicContact CB-CB 4.31Å; N468-E471 WeakPolarHBondContact CB-OE2 3.45Å; N468-E471 WeakPolarHBondContact ND2-CG 3.35Å; N468-E471 PolarHBondContact ND2-OE2 2.92Å; N468-E471 PolarHBondContact O-N 3.13Å; N468-G472 PolarHBondContact O-N 2.77Å
469H90.5Very high91Very high35 Ų3565.7 Ų65.716%0.16235%0.348CS..Hα-helixtrans-56.2-37.6-179.6172.862.8000113.7F333 D365 C410 P411 E471 S473F333-H469 HydrophobicContact CE1-CB 4.33Å; F333-H469 HydrophobicContact CZ-CB 4.3Å; D365-H469 IonicContact OD1-CE1 3.78Å; D365-H469 IonicContact OD1-CG 3.75Å; D365-H469 IonicContact OD1-ND1 3.6Å; D365-H469 PolarHBondContact OD1-ND1 2.87Å; D365-H469 IonicContact OD2-CE1 3.37Å; D365-H469 IonicContact OD2-ND1 3.22Å; D365-H469 PolarHBondContact OD2-ND1 3.1Å; C410-H469 WeakPolarHBondContact CA-NE2 3.33Å; C410-H469 PolarHBondContact SG-NE2 2.76Å; C410-H469 VanDerWaalsContact SG-NE2 3.43Å; P411-H469 WeakPolarHBondContact CD-CE1 3.18Å; P411-H469 WeakPolarHBondContact CD-ND1 3.42Å; P411-H469 HydrophobicContact CG-CB 4.47Å; H469-E471 VanDerWaalsContact C-N 3.33Å; H469-E471 PolarHBondContact O-N 3.27Å; H469-S473 VanDerWaalsContact O-CB 3.27Å; H469-S473 WeakPolarHBondContact O-CB 3.2Å; H469-S473 PolarHBondContact O-N 2.66Å; H469-S473 PolarHBondContact O-OG 2.98Å
470A89.8Confident91Very high65 Ų6563.6 Ų63.654%0.53733%0.326SS..Hα-helixtrans-70.2-31.3-176.600000112.6N468 R474N468-A470 VanDerWaalsContact C-N 3.29Å; N468-A470 PolarHBondContact O-N 3.08Å; N468-A470 PolarHBondContact OD1-N 3.24Å; N468-A470 VanDerWaalsContact OD1-N 3.13Å; A470-R474 WeakPolarHBondContact O-CB 3.48Å
471E90.6Very high90.9Very high120 Ų12061.4 Ų61.456%0.56131%0.307SS*.Hα-helixtrans-85.3-45.9177.3-70.4168.8157.100111.2N468 H469 R474 L475N468-E471 HydrophobicContact CB-CB 4.31Å; N468-E471 WeakPolarHBondContact CB-OE2 3.45Å; N468-E471 WeakPolarHBondContact ND2-CG 3.35Å; N468-E471 PolarHBondContact ND2-OE2 2.92Å; N468-E471 PolarHBondContact O-N 3.13Å; H469-E471 VanDerWaalsContact C-N 3.33Å; H469-E471 PolarHBondContact O-N 3.27Å; E471-R474 PolarHBondContact O-N 3.46Å; E471-L475 WeakPolarHBondContact O-CB 3.42Å; E471-L475 PolarHBondContact O-N 3.42Å
472G87.8Confident90.8Very high16 Ų1662.1 Ų62.117%0.16531%0.308CS..Hα-helixtrans-59.3-52.9178.300000112.3N468 R474 L475 N476N468-G472 PolarHBondContact O-N 2.77Å; G472-R474 VanDerWaalsContact C-N 3.34Å; G472-R474 PolarHBondContact O-N 3.12Å; G472-L475 PolarHBondContact O-N 2.98Å; G472-N476 WeakPolarHBondContact O-CB 3.35Å; G472-N476 PolarHBondContact O-N 3.41Å; G472-N476 PolarHBondContact O-ND2 2.88Å
473S89.2Confident90.4Very high18 Ų1862.2 Ų62.213%0.12631%0.31CS..Hα-helixtrans-63.8-36.1179.564.10000113.3G364 H469 N476 I477G364-S473 VanDerWaalsContact O-CA 3.23Å; G364-S473 WeakPolarHBondContact O-CA 3.49Å; H469-S473 VanDerWaalsContact O-CB 3.27Å; H469-S473 WeakPolarHBondContact O-CB 3.2Å; H469-S473 PolarHBondContact O-N 2.66Å; H469-S473 PolarHBondContact O-OG 2.98Å; S473-N476 PolarHBondContact O-N 3.49Å; S473-I477 WeakPolarHBondContact O-CB 3.45Å; S473-I477 WeakPolarHBondContact O-CD1 3.37Å; S473-I477 WeakPolarHBondContact O-CG1 3.43Å; S473-I477 PolarHBondContact O-N 2.93Å
474R90.1Very high89.8Confident183 Ų18361.1 Ų61.169%0.69130%0.299SS*.Hα-helixtrans-63.7-43.6173.8-172.8-178.569.390.8-0.4111.8A470 E471 G472 E478A470-R474 WeakPolarHBondContact O-CB 3.48Å; E471-R474 PolarHBondContact O-N 3.46Å; G472-R474 VanDerWaalsContact C-N 3.34Å; G472-R474 PolarHBondContact O-N 3.12Å; R474-E478 PolarHBondContact O-N 3.18Å
475L92.5Very high89.3Confident94 Ų9459.2 Ų59.249%0.49229%0.293SS..Hα-helixtrans-65.9-45.9176.7178.861.9000111.6E471 G472 E478 R479E471-L475 WeakPolarHBondContact O-CB 3.42Å; E471-L475 PolarHBondContact O-N 3.42Å; G472-L475 PolarHBondContact O-N 2.98Å; L475-E478 PolarHBondContact O-N 3.1Å; L475-E478 VanDerWaalsContact O-N 3.14Å; L475-R479 WeakPolarHBondContact O-CG 3.39Å; L475-R479 PolarHBondContact O-N 3.32Å
476N91.5Very high88.5Confident5 Ų563.3 Ų63.33%0.02731%0.309CS..Hα-helixtrans-67-37.9-178.2-69-23.9000112.4R363 G364 D365 W367 G472 S473 E478 R479 M480R363-N476 WeakPolarHBondContact O-CB 3.45Å; G364-N476 PolarHBondContact O-ND2 2.91Å; D365-N476 VanDerWaalsContact C-ND2 3.32Å; D365-N476 WeakPolarHBondContact CA-ND2 3.39Å; D365-N476 PolarHBondContact N-ND2 3.14Å; D365-N476 PolarHBondContact O-ND2 3.3Å; W367-N476 HydrophobicContact CE3-CB 3.66Å; W367-N476 HydrophobicContact CZ3-CB 3.9Å; W367-N476 WeakPolarHBondContact CZ3-O 3.43Å; G472-N476 WeakPolarHBondContact O-CB 3.35Å; G472-N476 PolarHBondContact O-N 3.41Å; G472-N476 PolarHBondContact O-ND2 2.88Å; S473-N476 PolarHBondContact O-N 3.49Å; N476-E478 VanDerWaalsContact C-N 3.29Å; N476-E478 PolarHBondContact O-N 3.42Å; N476-R479 PolarHBondContact O-N 2.99Å; N476-M480 WeakPolarHBondContact O-CB 3.48Å; N476-M480 PolarHBondContact O-N 2.89Å
477I89.1Confident87.6Confident40 Ų4063.3 Ų63.321%0.20531%0.31CS..Hα-helixtrans-60.9-39.8171.4-73.6166000110.8S473 M480 K481S473-I477 WeakPolarHBondContact O-CB 3.45Å; S473-I477 WeakPolarHBondContact O-CD1 3.37Å; S473-I477 WeakPolarHBondContact O-CG1 3.43Å; S473-I477 PolarHBondContact O-N 2.93Å; I477-M480 PolarHBondContact O-N 3.06Å; I477-K481 WeakPolarHBondContact O-CG 3.45Å; I477-K481 PolarHBondContact O-N 2.83Å
478E89.5Confident86.2Confident75 Ų7562.1 Ų62.135%0.3531%0.306SS..Hα-helixtrans-71.6-43.6178.1-159.659.7-137.100112.5R474 L475 N476 M480 K481 Q482R474-E478 PolarHBondContact O-N 3.18Å; L475-E478 PolarHBondContact O-N 3.1Å; L475-E478 VanDerWaalsContact O-N 3.14Å; N476-E478 VanDerWaalsContact C-N 3.29Å; N476-E478 PolarHBondContact O-N 3.42Å; E478-M480 PolarHBondContact O-N 3.05Å; E478-K481 WeakPolarHBondContact O-CB 3.44Å; E478-K481 PolarHBondContact O-N 3.02Å; E478-K481 IonicContact OE1-NZ 2.75Å; E478-K481 WeakPolarHBondContact OE2-CE 3.29Å; E478-K481 IonicContact OE2-NZ 3.9Å; E478-K481 PolarHBondContact OE2-NZ 3.09Å; E478-Q482 WeakPolarHBondContact O-CG 3.3Å; E478-Q482 PolarHBondContact O-N 3.41Å
479R90.3Very high84.4Confident73 Ų7365.8 Ų65.828%0.27532%0.32SS..Hα-helixtrans-51.9-45.5170-73.8173.4162.3-167.1-12110.9D317 W367 L475 N476 Q482 V483D317-R479 IonicContact OD1-NH2 2.68Å; D317-R479 IonicContact OD2-CZ 2.7Å; D317-R479 IonicContact OD2-NH1 3.91Å; D317-R479 PolarHBondContact OD2-NH1 3.35Å; D317-R479 IonicContact OD2-NH2 3.83Å; D317-R479 PolarHBondContact OD2-NH2 3.18Å; D317-R479 VanDerWaalsContact OD2-NH2 3.08Å; W367-R479 HydrophobicContact CH2-CB 3.66Å; W367-R479 HydrophobicContact CZ2-CB 3.72Å; W367-R479 HydrophobicContact CZ3-CB 4.16Å; L475-R479 WeakPolarHBondContact O-CG 3.39Å; L475-R479 PolarHBondContact O-N 3.32Å; N476-R479 PolarHBondContact O-N 2.99Å; R479-Q482 PolarHBondContact O-N 3.19Å; R479-V483 PolarHBondContact O-N 3.45Å; R479-V483 VanDerWaalsContact O-N 3.09Å; R479-V483 WeakPolarHBondContact O-CG2 3.2Å
480M88Confident82.5Confident2 Ų274.1 Ų74.11%0.0135%0.351CS..Hα-helixtrans-67.3-38.9-179.7-157.76415700112.8I314 R363 W367 S397 C398 F405 N476 I477 E478 Q482 V483 Y484I314-M480 HydrophobicContact CD1-CE 3.67Å; I314-M480 HydrophobicContact CD1-SD 3.98Å; R363-M480 HydrophobicContact CB-CE 4.47Å; W367-M480 HydrophobicContact CH2-CB 4.05Å; W367-M480 HydrophobicContact CH2-SD 3.83Å; W367-M480 HydrophobicContact CZ3-CB 4.37Å; W367-M480 HydrophobicContact CZ3-SD 4.44Å; S397-M480 VanDerWaalsContact O-CE 3.22Å; S397-M480 WeakPolarHBondContact O-CE 3.27Å; C398-M480 HydrophobicContact CB-CE 3.7Å; F405-M480 HydrophobicContact CB-CE 4.44Å; F405-M480 HydrophobicContact CB-CG 3.71Å; F405-M480 HydrophobicContact CD1-CG 4.14Å; F405-M480 HydrophobicContact CD2-CB 3.87Å; F405-M480 HydrophobicContact CD2-CG 3.78Å; F405-M480 HydrophobicContact CE2-CB 4.29Å; F405-M480 HydrophobicContact CE2-CG 4.44Å; F405-M480 HydrophobicContact CG-CB 4.23Å; F405-M480 HydrophobicContact CG-CG 3.6Å; N476-M480 WeakPolarHBondContact O-CB 3.48Å; N476-M480 PolarHBondContact O-N 2.89Å; I477-M480 PolarHBondContact O-N 3.06Å; E478-M480 PolarHBondContact O-N 3.05Å; M480-Q482 VanDerWaalsContact C-N 3.35Å; M480-Q482 PolarHBondContact O-N 3.09Å; M480-V483 PolarHBondContact O-N 3.49Å; M480-Y484 VanDerWaalsContact O-CD2 3.3Å; M480-Y484 HydrophobicContact SD-CE2 4.23Å; M480-Y484 VanDerWaalsContact O-N 3.09Å; M480-Y484 PolarHBondContact O-N 3.44Å; M480-Y484 WeakPolarHBondContact O-CD2 3.38Å; M480-Y484 HydrophobicContact CG-CE2 3.89Å; M480-Y484 HydrophobicContact CG-CD2 4.07Å; M480-Y484 HydrophobicContact CE-CE2 3.91Å
481K87.5Confident80.6Confident70 Ų7080 Ų8030%0.30436%0.36SS..Hα-helixtrans-58.3-47171.4-69175.6-160.1163.30111.4F405 I477 E478 V483 Y484 Q485F405-K481 HydrophobicContact CE2-CG 3.71Å; F405-K481 HydrophobicContact CZ-CG 3.89Å; I477-K481 WeakPolarHBondContact O-CG 3.45Å; I477-K481 PolarHBondContact O-N 2.83Å; E478-K481 WeakPolarHBondContact O-CB 3.44Å; E478-K481 PolarHBondContact O-N 3.02Å; E478-K481 IonicContact OE1-NZ 2.75Å; E478-K481 WeakPolarHBondContact OE2-CE 3.29Å; E478-K481 IonicContact OE2-NZ 3.9Å; E478-K481 PolarHBondContact OE2-NZ 3.09Å; K481-V483 VanDerWaalsContact C-N 3.34Å; K481-V483 PolarHBondContact O-N 2.67Å; K481-Y484 PolarHBondContact O-N 3.44Å; K481-Q485 WeakPolarHBondContact O-CB 3.28Å; K481-Q485 PolarHBondContact O-N 3.5Å; K481-Q485 WeakPolarHBondContact O-CG 3.41Å; K481-Q485 VanDerWaalsContact O-CG 3.27Å
482Q87.6Confident78Confident94 Ų9476 Ų7644%0.43935%0.352SS..Hα-helixtrans-61.1-42.6-178.1-69171.34.500111.5E478 R479 M480 Q485 Q486E478-Q482 WeakPolarHBondContact O-CG 3.3Å; E478-Q482 PolarHBondContact O-N 3.41Å; R479-Q482 PolarHBondContact O-N 3.19Å; M480-Q482 VanDerWaalsContact C-N 3.35Å; M480-Q482 PolarHBondContact O-N 3.09Å; Q482-Q485 PolarHBondContact O-N 3.08Å; Q482-Q486 WeakPolarHBondContact O-CG 3.3Å; Q482-Q486 PolarHBondContact O-N 3.08Å
483V86.1Confident75.6Confident11 Ų1182.8 Ų82.87%0.06738%0.383CS..Hα-helixtrans-59.8-49173.91710000111.5V312 I314 P315 R479 M480 K481 Q485 Q486 L487V312-V483 HydrophobicContact CG1-CG1 4.11Å; I314-V483 HydrophobicContact CG1-CG1 4.32Å; P315-V483 HydrophobicContact CG-CG2 4.44Å; R479-V483 PolarHBondContact O-N 3.45Å; R479-V483 VanDerWaalsContact O-N 3.09Å; R479-V483 WeakPolarHBondContact O-CG2 3.2Å; M480-V483 PolarHBondContact O-N 3.49Å; K481-V483 VanDerWaalsContact C-N 3.34Å; K481-V483 PolarHBondContact O-N 2.67Å; V483-Q485 PolarHBondContact O-N 3.06Å; V483-Q486 PolarHBondContact O-N 2.89Å; V483-L487 HydrophobicContact CG1-CD1 3.75Å; V483-L487 WeakPolarHBondContact O-CD1 3.37Å; V483-L487 VanDerWaalsContact O-CG 3.25Å; V483-L487 WeakPolarHBondContact O-CG 3.43Å; V483-L487 PolarHBondContact O-N 3.01Å
484Y82.2Confident73.1Confident25 Ų2587 Ų8710%0.09841%0.412CS..Hα-helixtrans-67.5-32.7177.5-78.8-68.5000114C398 Q403 F405 M480 K481 L487 S488C398-Y484 PolarHBondContact O-OH 2.9Å; Q403-Y484 HydrophobicContact CG-CE1 4.36Å; F405-Y484 HydrophobicContact CB-CE2 4.47Å; F405-Y484 AromaticContact CD1-CD2 3.43Å; F405-Y484 HydrophobicContact CD1-CD2 3.43Å; F405-Y484 VanDerWaalsContact CD1-CD2 3.43Å; F405-Y484 AromaticContact CD1-CE2 3.25Å; F405-Y484 HydrophobicContact CD1-CE2 3.25Å; F405-Y484 AromaticContact CE1-CD2 3.32Å; F405-Y484 HydrophobicContact CE1-CD2 3.32Å; F405-Y484 AromaticContact CE1-CE2 3.69Å; F405-Y484 HydrophobicContact CE1-CE2 3.69Å; F405-Y484 HydrophobicContact CE1-CG 4.13Å; F405-Y484 HydrophobicContact CG-CD2 4.35Å; F405-Y484 HydrophobicContact CG-CE2 4.08Å; F405-Y484 HydrophobicContact CZ-CD2 4.17Å; M480-Y484 VanDerWaalsContact O-CD2 3.3Å; M480-Y484 HydrophobicContact SD-CE2 4.23Å; M480-Y484 VanDerWaalsContact O-N 3.09Å; M480-Y484 PolarHBondContact O-N 3.44Å; M480-Y484 WeakPolarHBondContact O-CD2 3.38Å; M480-Y484 HydrophobicContact CG-CE2 3.89Å; M480-Y484 HydrophobicContact CG-CD2 4.07Å; M480-Y484 HydrophobicContact CE-CE2 3.91Å; K481-Y484 PolarHBondContact O-N 3.44Å; Y484-L487 HydrophobicContact CD1-CD1 4.18Å; Y484-L487 PolarHBondContact O-N 3.24Å; Y484-S488 PolarHBondContact O-N 2.86Å
485Q82.7Confident70.6Confident103 Ų10383.9 Ų83.948%0.48141%0.409SS..Hα-helixtrans-62.5-51172-75.1167.3-10.300110.5K481 Q482 V483 L487 S488 H489K481-Q485 WeakPolarHBondContact O-CB 3.28Å; K481-Q485 PolarHBondContact O-N 3.5Å; K481-Q485 WeakPolarHBondContact O-CG 3.41Å; K481-Q485 VanDerWaalsContact O-CG 3.27Å; Q482-Q485 PolarHBondContact O-N 3.08Å; V483-Q485 PolarHBondContact O-N 3.06Å; Q485-L487 PolarHBondContact O-N 3.17Å; Q485-L487 VanDerWaalsContact C-N 3.34Å; Q485-S488 WeakPolarHBondContact O-CB 3.41Å; Q485-S488 PolarHBondContact O-N 2.79Å; Q485-S488 PolarHBondContact O-OG 3.26Å; Q485-H489 PolarHBondContact O-CD2 3.36Å; Q485-H489 PolarHBondContact O-N 2.98Å; Q485-H489 VanDerWaalsContact O-N 3.08Å
486Q77.2Confident68.1Low120 Ų12084.8 Ų84.856%0.56141%0.414SS*.Hα-helixtrans-57.5-44.3176.2-71.2173.11.800112Q482 V483 S488 H489 Y490Q482-Q486 WeakPolarHBondContact O-CG 3.3Å; Q482-Q486 PolarHBondContact O-N 3.08Å; V483-Q486 PolarHBondContact O-N 2.89Å; Q486-S488 VanDerWaalsContact C-N 3.27Å; Q486-S488 PolarHBondContact O-N 2.97Å; Q486-H489 PolarHBondContact O-N 2.9Å; Q486-H489 VanDerWaalsContact O-N 3.14Å; Q486-Y490 WeakPolarHBondContact O-CD2 3.47Å; Q486-Y490 PolarHBondContact O-N 3.19Å
487L72.9Confident65.3Low50 Ų5088.9 Ų88.926%0.26245%0.448SS..Hα-helixtrans-60.8-35175.6-71158.5000112.9V312 V483 Y484 Q485 Y490 R491V312-L487 HydrophobicContact CB-CD1 4.49Å; V312-L487 HydrophobicContact CG1-CD1 3.34Å; V312-L487 HydrophobicContact CG1-CD2 4.46Å; V312-L487 HydrophobicContact CG2-CD1 4.34Å; V483-L487 HydrophobicContact CG1-CD1 3.75Å; V483-L487 WeakPolarHBondContact O-CD1 3.37Å; V483-L487 VanDerWaalsContact O-CG 3.25Å; V483-L487 WeakPolarHBondContact O-CG 3.43Å; V483-L487 PolarHBondContact O-N 3.01Å; Y484-L487 HydrophobicContact CD1-CD1 4.18Å; Y484-L487 PolarHBondContact O-N 3.24Å; Q485-L487 PolarHBondContact O-N 3.17Å; Q485-L487 VanDerWaalsContact C-N 3.34Å; L487-Y490 PolarHBondContact O-N 2.69Å; L487-R491 PolarHBondContact O-N 2.83Å
488S62Low62.7Low26 Ų2691.7 Ų91.718%0.18247%0.471CS..Hα-helixtrans-69.7-34.2175.680.10000112.9Y484 Q485 Q486 G492Y484-S488 PolarHBondContact O-N 2.86Å; Q485-S488 WeakPolarHBondContact O-CB 3.41Å; Q485-S488 PolarHBondContact O-N 2.79Å; Q485-S488 PolarHBondContact O-OG 3.26Å; Q486-S488 VanDerWaalsContact C-N 3.27Å; Q486-S488 PolarHBondContact O-N 2.97Å; S488-G492 PolarHBondContact O-N 3.14Å; S488-G492 VanDerWaalsContact O-CA 3.3Å; S488-G492 WeakPolarHBondContact O-CA 3.44Å; S488-G492 CarbonylContact O-C 3.55Å
489H54.8Low59.9Low157 Ų15793.7 Ų93.773%0.72749%0.488SS*.Hα-helixtrans-69.3-39.9171.4-66.8-64.4000112Q485 Q486Q485-H489 PolarHBondContact O-CD2 3.36Å; Q485-H489 PolarHBondContact O-N 2.98Å; Q485-H489 VanDerWaalsContact O-N 3.08Å; Q486-H489 PolarHBondContact O-N 2.9Å; Q486-H489 VanDerWaalsContact O-N 3.14Å
490Y51Low57Low209 Ų20994.7 Ų94.782%0.8250%0.504SS*.Hα-helixtrans-76.1-27.3-179.7-89.5-79.8000115.2Q486 L487Q486-Y490 WeakPolarHBondContact O-CD2 3.47Å; Q486-Y490 PolarHBondContact O-N 3.19Å; L487-Y490 PolarHBondContact O-N 2.69Å
491R50.2Low54Low188 Ų188100.3 Ų100.371%0.70954%0.539SS*.Hα-helixtrans-106.7-2.1178.3-69.3-169.3174.6-169.5-0114.5L487L487-R491 PolarHBondContact O-N 2.83Å
492G35.7Very low51.2Low38 Ų38101.9 Ų101.939%0.39255%0.549SS..  trans70.5170.7-173.700000113.5S488 S494S488-G492 PolarHBondContact O-N 3.14Å; S488-G492 VanDerWaalsContact O-CA 3.3Å; S488-G492 WeakPolarHBondContact O-CA 3.44Å; S488-G492 CarbonylContact O-C 3.55Å; G492-S494 PolarHBondContact O-N 3.32Å
493L38.1Very low48.2Very low158 Ų158105.7 Ų105.783%0.82757%0.567SS**THydrogen-bonded Turntrans-69.914.2-172.1-83.6153.2000115.8L495L493-L495 PolarHBondContact O-N 3.1Å
494S35.5Very low45.4Very low105 Ų105113.4 Ų113.473%0.73460%0.603SS**THydrogen-bonded Turntrans-84.3-3.5-167.5-167.50000116.1G492G492-S494 PolarHBondContact O-N 3.32Å
495L38.9Very low42.8Very low119 Ų119121.5 Ų121.562%0.62364%0.641SS**SBendtrans-136.4-4.7-169.4-108.1157000116.3L493L493-L495 PolarHBondContact O-N 3.1Å
496L38.8Very low40.1Very low113 Ų113120.9 Ų120.959%0.59265%0.654SS**SBendtrans-86.1-5.1175.1-76177000114.1
497A33.8Very low37.7Very low90 Ų90122 Ų12274%0.74466%0.659SS**SBendtrans-122.747-168.100000114.2
498S33.8Very low35.5Very low99 Ų99124.7 Ų124.769%0.69268%0.68SS**  trans-167.155.6166.642.20000115.5
499V31.7Very low33.7Very low118 Ų118129.1 Ų129.172%0.71571%0.708SS**  trans-122.7110.9161.2-175.60000109.2
500P27.9Very low32.2Very low93 Ų93130.3 Ų130.360%0.60472%0.716SS**  trans-71.4136.1179.928.8-33.9000110.7I502P500-I502 PolarHBondContact O-N 2.67Å; P500-I502 VanDerWaalsContact O-N 3.1Å
501T26.1Very low31Very low120 Ų120126.4 Ų126.474%0.73671%0.714SS**  trans-49.3114.6177.4-45.90000110.6Q503T501-Q503 PolarHBondContact O-N 2.75Å
502I28Very low29.7Very low104 Ų104124.3 Ų124.353%0.53372%0.717SS.*  trans-78.1103.2159.9-58.7176.3000105P500 E504P500-I502 PolarHBondContact O-N 2.67Å; P500-I502 VanDerWaalsContact O-N 3.1Å; I502-E504 PolarHBondContact O-N 2.95Å
503Q24.5Very low29.2Very low174 Ų174131.5 Ų131.581%0.81374%0.74SS**  trans-63.9109.8153-72.4173.2-54.500106T501T501-Q503 PolarHBondContact O-N 2.75Å
504E28Very low28.4Very low173 Ų173128.2 Ų128.281%0.80873%0.73SS**  trans-58147.3147.1-65.6-170.5133.600107I502 A506I502-E504 PolarHBondContact O-N 2.95Å; E504-A506 PolarHBondContact O-N 3.17Å
505E27.7Very low27.9Very low194 Ų194131.7 Ų131.791%0.90774%0.735SS**  trans-70.778.5176.8-69.1178.6142.100109.7E507E505-E507 VanDerWaalsContact C-N 3.28Å; E505-E507 PolarHBondContact O-N 2.74Å
506A24.8Very low27.3Very low91 Ų91131.7 Ų131.775%0.75274%0.74SS**  trans-68.489.3166.200000108.2E504E504-A506 PolarHBondContact O-N 3.17Å
507E27.8Very low26.5Very low143 Ų143131.3 Ų131.367%0.66875%0.747SS**  trans-45.9128.8159.6-68.1171.9-164.300107.5K236 E505K236-E507 IonicContact NZ-OE1 3.9Å; K236-E507 PolarHBondContact NZ-OE1 3.25Å; K236-E507 IonicContact NZ-OE2 3.21Å; E505-E507 VanDerWaalsContact C-N 3.28Å; E505-E507 PolarHBondContact O-N 2.74Å
508P26.1Very low26.1Very low107 Ų107132.6 Ų132.670%0.69575%0.75SS**  trans-63.6152.1-17226.2-34.9000111M510P508-M510 PolarHBondContact O-N 3.34Å
509P23.8Very low25.4Very low118 Ų118131.2 Ų131.277%0.76675%0.752SS**  trans-61.3115.6175.326.6-33.4000109.4T511P509-T511 PolarHBondContact O-N 3.1Å; P509-T511 VanDerWaalsContact O-N 3.1Å
510M23.6Very low25.5Very low183 Ų183132.1 Ų132.190%0.90176%0.76SS**  trans-58.5113.4171.7-71.2-72.9-7000108.8P508P508-M510 PolarHBondContact O-N 3.34Å
511T25.6Very low25.2Very low126 Ų126130.7 Ų130.777%0.77376%0.762SS**  trans-72130175.244.10000110.1P509 E513P509-T511 PolarHBondContact O-N 3.1Å; P509-T511 VanDerWaalsContact O-N 3.1Å; T511-E513 PolarHBondContact O-N 3.23Å
512D24.6Very low25Very low145 Ų145130.8 Ų130.878%0.77576%0.763SS**  trans-83.493.1179.6-171.67.8000110.4S514D512-S514 PolarHBondContact OD1-OG 3.05Å
513E23.8Very low24.7Very low189 Ų189132.5 Ų132.588%0.88377%0.773SS**  trans-119.596.4167-74.2-161.9155.300110.2T511T511-E513 PolarHBondContact O-N 3.23Å
514S22.2Very low24.6Very low88 Ų88132.2 Ų132.262%0.61577%0.771SS**  trans-128.475.1174.9550000112D512D512-S514 PolarHBondContact OD1-OG 3.05Å
515Q25.2Very low24.2Very low178 Ų178128.8 Ų128.883%0.83277%0.765SS**  trans-161141.3160.1-114.7143.3100.600114.3
516T25.3Very low23.9Very low120 Ų120125.4 Ų125.474%0.73676%0.758SS**  trans44.2102.3156.753.80000118.5
517S22.3Very low23.7Very low104 Ų104126.1 Ų126.173%0.72776%0.758SS**  99.3151.954.465.40000114.2
518S24.7Very low23.5Very low117 Ų117125.2 Ų125.282%0.81877%0.767SS**  trans66123.1175.150.10000119
519G19.8Very low23.4Very low71 Ų71123.8 Ų123.873%0.73277%0.771SS**  trans-93.5-151.5149.500000110.2
520P33.5Very low23.3Very low137 Ų137126.8 Ų126.889%0.8978%0.775SS**  cis-134.9-170.31343.7-27000114.6
521G21.5Very low23.6Very low62 Ų62124 Ų12464%0.63977%0.771SS**  trans126.7111.3142.800000120
522T23Very low23.5Very low123 Ų123123.2 Ų123.276%0.75577%0.771SS**  46.5117129.6550000123.1
523D21.5Very low23.4Very low139 Ų139121.7 Ų121.774%0.74377%0.771SS**  73.6138118.3-53.8-23.8000125.6
524H22.7Very low23.7Very low168 Ų168118.7 Ų118.778%0.77877%0.768SS**  trans69.4108.4142.8-81.6-56.5000124.5
525C19.6Very low23.8Very low101 Ų101119 Ų11968%0.68278%0.776SS**  78.7146.2120-80.10000125.3
526T21.4Very low23.7Very low123 Ų123116.1 Ų116.176%0.75578%0.775SS**  trans76.2109.9144.438.40000123
527S20.7Very low23.6Very low107 Ų107116 Ų11675%0.74878%0.78SS**  trans51134.3131.867.30000120.5
528S22.4Very low24.8Very low124 Ų124116.8 Ų116.887%0.86778%0.782SS**  178.9171.460.348.50000111.1
529G23.6Very low25.5Very low76 Ų76115.9 Ų115.978%0.78477%0.774SS**  trans133.783.9162.900000117.9
530Q22.3Very low25.8Very low182 Ų182121.1 Ų121.185%0.8578%0.779SS**  trans-122.2156.5147.4-79.7-160.9-16.500107.7
531P30.8Very low25.5Very low123 Ų123119.4 Ų119.480%0.79977%0.77SS**  -148149.89637.9-22.6000115.4
532S22.4Very low26.2Very low111 Ų111122.3 Ų122.378%0.77678%0.778SS**  163.3130.311865.60000112.7
533S23.4Very low26.4Very low112 Ų112120.5 Ų120.578%0.78378%0.776SS**  trans-130.2154169.1-53.40000109
534P30Very low27.5Very low126 Ų126119.1 Ų119.182%0.81877%0.774SS**  -140.3142.497.528.2-10.2000112.8
535A23.1Very low27.7Very low95 Ų95122.6 Ų122.679%0.78578%0.78SS**  cis94.4109.544.300000114.3
536S23.9Very low28Very low117 Ų117123.7 Ų123.782%0.81879%0.789SS**  trans-159.1140.1158.555.10000110.3
537S23.1Very low28.4Very low118 Ų118127.3 Ų127.383%0.82580%0.795SS**  trans-172.6172.5-169.2-64.70000111
538P46.7Very low29.4Very low121 Ų121128.5 Ų128.579%0.78680%0.8SS**  cis-107.8-96.4-28.330.2-9.8000107.7
539P41.1Very low29.6Very low98 Ų98126 Ų12664%0.63679%0.793SS**  cis-101.9-165.8-28.945.1-33.2000110.5
540Q25.2Very low29.8Very low180 Ų180127.9 Ų127.984%0.84180%0.795SS**  cis-148.4-150.41.9-154.9130.6-5.700111.1
541S26.2Very low31Very low101 Ų101124.1 Ų124.171%0.70679%0.786SS**  trans-146.6170.5177.467.30000108.9
542P36.2Very low30.9Very low123 Ų123123.6 Ų123.680%0.79979%0.785SS**  -154.8-171.665.643-20.8000117.4
543A28.6Very low31.3Very low86 Ų86123.8 Ų123.871%0.71179%0.786SS**  trans-111.8-164.1164.800000108.9
544P43.7Very low31.4Very low109 Ų109123.3 Ų123.371%0.70878%0.783SS**  cis-148.7-174.66.246.1-25.6000118.8
545R27.3Very low31.2Very low241 Ų241122.8 Ų122.891%0.90978%0.781SS**  trans58.8129.2148.5-78.1176.8-179.9-163.61123.1
546S25.5Very low32.2Very low125 Ų125124.5 Ų124.587%0.87478%0.784SS**  -168.2162.1127.553.40000114
547K30.1Very low32.4Very low199 Ų199124.1 Ų124.187%0.86578%0.782SS**  trans-160157.2175.8-110.2-166.4-174.6-171.40107.8
548P42.9Very low33.4Very low131 Ų131123.9 Ų123.985%0.85178%0.778SS**  -128.2-144.254.742-24.7000112.2
549G24.8Very low32.5Very low71 Ų71123.6 Ų123.673%0.73278%0.778SS**  cis-168.4-152.2700000115.4
550S28.6Very low31.9Very low117 Ų117123.5 Ų123.582%0.81879%0.786SS**  trans-165.3-169-173630000108.9
551P47.8Very low32.1Very low103 Ų103120.5 Ų120.567%0.66979%0.785SS**  cis-147.6-169.51145.4-24.9000118.4
552S29.1Very low32.8Very low111 Ų111121.6 Ų121.678%0.77679%0.79SS**  trans71.3151152.874.90000118.8
553S29.5Very low32.3Very low115 Ų115120.4 Ų120.480%0.80478%0.784SS**  cis-155.9-168-11.954.90000107.7
554S25.7Very low32.3Very low103 Ų103121.7 Ų121.772%0.7279%0.788SS**  cis-154.9-159.68.866.40000111
555C27Very low31.7Very low115 Ų115124.3 Ų124.378%0.77780%0.795SS**  trans-144.5175171.4-70.60000110.5
556P44.3Very low32.8Very low130 Ų130118.3 Ų118.384%0.84479%0.787SS**  -146168112.338-23000117.1
557S28.4Very low33.9Very low109 Ų109118.3 Ų118.376%0.76278%0.784SS**  trans-89.8-179.4178.7-39.20000112.9
558P43.8Very low34.3Very low114 Ų114120.3 Ų120.374%0.7479%0.786SS**  -126.2151.664.38.117.1000113.6
559S27.5Very low33.8Very low115 Ų115125.4 Ų125.480%0.80479%0.789SS**  62138.370.693.30000114.9
560A27.1Very low34.3Very low96 Ų96132.3 Ų132.379%0.79380%0.799SS**  cis-153.4177.411.300000114.3
561S30Very low35Very low116 Ų116134.1 Ų134.181%0.81184%0.835SS**  trans-127.5165.7165.5-38.70000107.9
562P40.9Very low34.4Very low125 Ų125135.7 Ų135.781%0.81284%0.844SS**  -140.3-159.152.636.1-11000112.1
563S26.9Very low34.7Very low98 Ų98136.9 Ų136.969%0.68585%0.847SS**  cis-172175.624.858.40000113.9
564S27.6Very low35Very low112 Ų112138.2 Ų138.278%0.78385%0.849SS**  trans80.2143.1152.3750000122.1
565L30.7Very low35.5Very low165 Ų165140.2 Ų140.286%0.86486%0.857SS**  trans-120.6-168.5168.6-74.4160.9000108.1
566P51.1Low36Very low114 Ų114141.8 Ų141.874%0.7486%0.862SS**  -99.5-168.3-101.838.5-20000112.7
567P48.6Very low35.5Very low126 Ų126142.6 Ų142.682%0.81886%0.863SS**  -151.3176.596.839.4-21.8000116.4
568R38Very low36Very low240 Ų240145 Ų14591%0.90687%0.87SS**  trans-73.5146.4171.1-63.4165.6163.7176.2-7.2112.8
569R31.9Very low35.4Very low239 Ų239147.4 Ų147.490%0.90288%0.88SS**  trans-160122.8132.6-100.8167.8-172.8-1621107
570K37Very low36.1Very low216 Ų216150.1 Ų150.194%0.93989%0.887SS**  56.695.889.7-85.5-159171.2-166.50113.2
571G43Very low36.9Very low154 Ų154155 Ų155100%1.58890%0.895SS**  trans-142.20151.600000105.2

Retrieved 571 of 571 residues in 111.5 ms (Link to these results)

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