A0A077Z5B9_TRITR Loading...

UDP-glucuronosyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A077Z5B9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 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
1M51.5Low67.2Low125 Ų12543.7 Ų43.762%0.61621%0.213SC*.  091.40-151.7179.6-141.300107.5I41 L44M1-I41 HydrophobicContact CE-CB 4.23Å; M1-I41 HydrophobicContact CE-CG1 3.83Å; M1-I41 HydrophobicContact CE-CG2 4.34Å; M1-L44 HydrophobicContact CE-CB 3.82Å; M1-L44 HydrophobicContact CE-CD1 3.15Å; M1-L44 HydrophobicContact CE-CG 4.07Å; M1-L44 HydrophobicContact CG-CD1 3.5Å; M1-L44 HydrophobicContact SD-CD1 3.49Å; M1-L44 WeakPolarHBondContact SD-CD1 3.17Å
2K55.5Low68.4Low170 Ų17040.4 Ų40.474%0.73920%0.197SC*.  trans-73.9-33.1-155.9-81.4-175.8177.5176.60113.9
3L57.3Low69.4Low44 Ų4442 Ų4223%0.2321%0.214CC..SBendtrans-137.4137.5-177.7-76.6160.6000111.7P69 T73 T307L3-P69 HydrophobicContact CB-CB 4.48Å; L3-P69 HydrophobicContact CD1-CB 3.12Å; L3-P69 HydrophobicContact CD1-CG 4.06Å; L3-P69 HydrophobicContact CG-CB 4.36Å; L3-T73 HydrophobicContact CD1-CG2 4.21Å; L3-T73 HydrophobicContact CD2-CG2 4.22Å; L3-T307 WeakPolarHBondContact CD2-O 3.38Å
4P59.7Low70.3Confident6 Ų641.6 Ų41.64%0.03922%0.217CC..  trans-68.6166175.433.5-42.2000111.9A6 H11 Y40 L309 N311P4-A6 PolarHBondContact O-N 3.36Å; P4-H11 WeakPolarHBondContact CG-CE1 3.46Å; P4-H11 WeakPolarHBondContact CG-ND1 3.33Å; P4-Y40 VanDerWaalsContact C-OH 3.32Å; P4-Y40 WeakPolarHBondContact CA-OH 3.42Å; P4-L309 WeakPolarHBondContact CD-O 3.33Å; P4-N311 VanDerWaalsContact CB-CG 3.47Å; P4-N311 WeakPolarHBondContact CB-OD1 3.41Å
5R69.5Low71.3Confident18 Ų1841.7 Ų41.77%0.06822%0.223CC..  trans-58.3110.6178.4-152.1179.6-157.91796.2108.2L12 V16 Y40 E43R5-L12 HydrophobicContact CB-CB 4.35Å; R5-L12 PolarHBondContact O-N 3.19Å; R5-V16 PolarHBondContact NH1-O 3.37Å; R5-Y40 HydrophobicContact CB-CD2 4.02Å; R5-Y40 HydrophobicContact CB-CE2 3.4Å; R5-Y40 VanDerWaalsContact CB-CE2 3.4Å; R5-Y40 HydrophobicContact CG-CD2 4.01Å; R5-Y40 HydrophobicContact CG-CE2 3.79Å; R5-Y40 PolarHBondContact N-OH 3.19Å; R5-E43 IonicContact CZ-OE2 3.31Å; R5-E43 IonicContact NE-OE2 3.22Å; R5-E43 PolarHBondContact NE-OE2 3.11Å; R5-E43 IonicContact NH2-OE2 2.91Å; R5-E43 PolarHBondContact NH2-OE2 3.19Å
6A68.5Low72.2Confident25 Ų2541.8 Ų41.821%0.20723%0.225CC..EExtended strand (participates in β ladder)trans-101120.5177.900000108.6P4 V10 Y72P4-A6 PolarHBondContact O-N 3.36Å; A6-V10 WeakPolarHBondContact CA-O 3.27Å; A6-Y72 HydrophobicContact CB-CD1 4.08Å; A6-Y72 HydrophobicContact CB-CD2 4.06Å; A6-Y72 HydrophobicContact CB-CG 3.74Å
7F73.1Confident73Confident39 Ų3940 Ų4017%0.17122%0.216CC..EExtended strand (participates in β ladder)trans-120.5124171.2-174.3-98.1000108.1A9 V10 L12 I18 D87 L90F7-A9 VanDerWaalsContact C-N 3.25Å; F7-A9 PolarHBondContact O-N 2.7Å; F7-V10 PolarHBondContact N-O 3.19Å; F7-V10 PolarHBondContact O-N 3.26Å; F7-L12 HydrophobicContact CB-CD1 3.32Å; F7-L12 HydrophobicContact CB-CD2 4.47Å; F7-L12 HydrophobicContact CB-CG 3.77Å; F7-L12 HydrophobicContact CG-CD1 4.09Å; F7-I18 HydrophobicContact CD2-CD1 3.82Å; F7-I18 HydrophobicContact CE2-CD1 4.38Å; F7-I18 HydrophobicContact CG-CD1 4.41Å; F7-D87 WeakPolarHBondContact CZ-OD2 3.33Å; F7-L90 HydrophobicContact CD1-CD1 3.39Å; F7-L90 HydrophobicContact CE1-CD1 3.44Å; F7-L90 VanDerWaalsContact CE1-CD1 3.44Å; F7-L90 HydrophobicContact CG-CD1 4.16Å; F7-L90 HydrophobicContact CZ-CD1 4.28Å
8R73.4Confident73.6Confident19 Ų1939.1 Ų39.17%0.07221%0.21CC..THydrogen-bonded Turntrans49.547.3-174.6-61.1177.7177.2-171.6-5.6112.4V10 S78 S81 L82 D87 T96R8-V10 PolarHBondContact O-N 3.33Å; R8-S78 WeakPolarHBondContact CA-OG 3.34Å; R8-S81 PolarHBondContact NH2-O 3.37Å; R8-L82 PolarHBondContact NH1-O 3.2Å; R8-L82 PolarHBondContact NH2-O 2.75Å; R8-D87 IonicContact CZ-OD2 2.69Å; R8-D87 IonicContact NH2-OD2 3.46Å; R8-T96 HydrophobicContact CB-CG2 3.73Å; R8-T96 HydrophobicContact CG-CG2 4.35Å; R8-T96 PolarHBondContact O-OG1 2.89Å
9A74.2Confident74.1Confident4 Ų438.4 Ų38.43%0.03321%0.209CC..THydrogen-bonded Turntrans57.714.7-176.500000116.1F7 T307F7-A9 VanDerWaalsContact C-N 3.25Å; F7-A9 PolarHBondContact O-N 2.7Å; A9-T307 WeakPolarHBondContact O-CG2 3.45Å
10V77.6Confident74.4Confident15 Ų1538.6 Ų38.69%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-109.4141.9172.9-169.50000110.1A6 F7 R8 L12 P91 T93 L304A6-V10 WeakPolarHBondContact CA-O 3.27Å; F7-V10 PolarHBondContact N-O 3.19Å; F7-V10 PolarHBondContact O-N 3.26Å; R8-V10 PolarHBondContact O-N 3.33Å; V10-L12 PolarHBondContact O-N 2.89Å; V10-P91 HydrophobicContact CB-CG 4.5Å; V10-P91 HydrophobicContact CG1-CB 3.92Å; V10-P91 HydrophobicContact CG1-CG 3.65Å; V10-T93 HydrophobicContact CG2-CG2 3.52Å; V10-L304 HydrophobicContact CG1-CD1 4.47Å; V10-L304 HydrophobicContact CG2-CD1 4.06Å
11H79.1Confident74.8Confident16 Ų1641 Ų417%0.07423%0.228CC..EExtended strand (participates in β ladder)trans-66.8127.2170.9-72.1-35.1000111.7P4 G306 T307 Y314P4-H11 WeakPolarHBondContact CG-CE1 3.46Å; P4-H11 WeakPolarHBondContact CG-ND1 3.33Å; H11-G306 PolarHBondContact NE2-O 3.15Å; H11-T307 VanDerWaalsContact CE1-CA 3.49Å; H11-T307 WeakPolarHBondContact CE1-CA 3.15Å; H11-T307 WeakPolarHBondContact NE2-CA 3.08Å; H11-T307 PolarHBondContact NE2-N 3.34Å; H11-Y314 HydrophobicContact CB-CE1 4.24Å; H11-Y314 HydrophobicContact CB-CE2 4.44Å; H11-Y314 AromaticContact CD2-CD2 3.47Å; H11-Y314 VanDerWaalsContact CD2-CD2 3.47Å; H11-Y314 WeakPolarHBondContact CD2-CD2 3.14Å; H11-Y314 AromaticContact CD2-CE2 3.44Å; H11-Y314 VanDerWaalsContact CD2-CE2 3.44Å; H11-Y314 WeakPolarHBondContact CD2-CE2 3.18Å; H11-Y314 AromaticContact CD2-CZ 3.93Å
12L81.6Confident76.4Confident4 Ų435.8 Ų35.82%0.02121%0.205CC..  trans-104.5131.3168.9-62.1-171.3000109.6R5 F7 V10 I18 L90 P91R5-L12 HydrophobicContact CB-CB 4.35Å; R5-L12 PolarHBondContact O-N 3.19Å; F7-L12 HydrophobicContact CB-CD1 3.32Å; F7-L12 HydrophobicContact CB-CD2 4.47Å; F7-L12 HydrophobicContact CB-CG 3.77Å; F7-L12 HydrophobicContact CG-CD1 4.09Å; V10-L12 PolarHBondContact O-N 2.89Å; L12-I18 HydrophobicContact CD1-CD1 4.21Å; L12-I18 HydrophobicContact CD1-CG2 4.14Å; L12-L90 HydrophobicContact CD1-CD1 4.38Å; L12-L90 HydrophobicContact CD1-CD2 4.05Å; L12-L90 HydrophobicContact CD2-CB 4.48Å; L12-L90 HydrophobicContact CD2-CD2 3.77Å; L12-P91 HydrophobicContact CD2-CG 4.02Å
13S81.7Confident77.7Confident61 Ų6131 Ų3143%0.42719%0.186SC..  trans-58.2143.9167.5174.10000109.9S15 V16S13-S15 PolarHBondContact O-N 3.49Å; S13-S15 PolarHBondContact OG-N 2.9Å; S13-S15 VanDerWaalsContact OG-N 3.14Å; S13-S15 PolarHBondContact OG-OG 3.33Å; S13-V16 WeakPolarHBondContact O-CB 3.13Å; S13-V16 PolarHBondContact O-N 3.49Å
14S81.3Confident79.2Confident36 Ų3633.9 Ų33.925%0.25221%0.205SC..THydrogen-bonded Turntrans-62.7-6.8170.758.60000113.3V16 N36S14-V16 VanDerWaalsContact C-N 3.3Å; S14-N36 PolarHBondContact O-ND2 3Å
15S84.7Confident80.6Confident44 Ų4435.5 Ų35.531%0.30821%0.21SC..THydrogen-bonded Turntrans-86.45.5170.469.90000113.9S13 Y25S13-S15 PolarHBondContact O-N 3.49Å; S13-S15 PolarHBondContact OG-N 2.9Å; S13-S15 VanDerWaalsContact OG-N 3.14Å; S13-S15 PolarHBondContact OG-OG 3.33Å; S15-Y25 VanDerWaalsContact O-CE1 3.3Å; S15-Y25 WeakPolarHBondContact O-CE1 3.18Å; S15-Y25 PolarHBondContact O-OH 3.22Å
16V85.9Confident81.7Confident42 Ų4238.7 Ų38.726%0.25523%0.226SC..  trans-108.6124.5176.5-178.40000108.9R5 S13 S14 I18 N36 L90R5-V16 PolarHBondContact NH1-O 3.37Å; S13-V16 WeakPolarHBondContact O-CB 3.13Å; S13-V16 PolarHBondContact O-N 3.49Å; S14-V16 VanDerWaalsContact C-N 3.3Å; V16-I18 HydrophobicContact CG1-CG2 4.19Å; V16-N36 VanDerWaalsContact C-ND2 3.3Å; V16-N36 PolarHBondContact O-ND2 2.96Å; V16-L90 HydrophobicContact CG1-CD2 3.56Å
17D86.5Confident82.7Confident12 Ų1241 Ų416%0.06424%0.238CC..  trans-100.2125174.8-169.14.5000110.2S19 N21 Y25 N36D17-S19 VanDerWaalsContact CG-OG 3.31Å; D17-S19 WeakPolarHBondContact OD1-CA 3.18Å; D17-S19 WeakPolarHBondContact OD1-CB 3.45Å; D17-S19 PolarHBondContact OD1-N 3.13Å; D17-S19 PolarHBondContact OD1-OG 2.96Å; D17-S19 PolarHBondContact OD2-OG 3.39Å; D17-N21 WeakPolarHBondContact OD2-CB 3.3Å; D17-Y25 HydrophobicContact CB-CD1 3.58Å; D17-Y25 HydrophobicContact CB-CD2 3.56Å; D17-Y25 HydrophobicContact CB-CE1 3.94Å; D17-Y25 HydrophobicContact CB-CE2 3.94Å; D17-Y25 HydrophobicContact CB-CG 3.38Å; D17-N36 WeakPolarHBondContact CB-OD1 3.34Å; D17-N36 PolarHBondContact OD1-OD1 3.23Å
18I83.6Confident83.6Confident24 Ų2448.6 Ų48.612%0.12327%0.272CS..  trans-12111.217561.8169.4000111.3F7 L12 V16 V88 L90F7-I18 HydrophobicContact CD2-CD1 3.82Å; F7-I18 HydrophobicContact CE2-CD1 4.38Å; F7-I18 HydrophobicContact CG-CD1 4.41Å; L12-I18 HydrophobicContact CD1-CD1 4.21Å; L12-I18 HydrophobicContact CD1-CG2 4.14Å; V16-I18 HydrophobicContact CG1-CG2 4.19Å; I18-V88 HydrophobicContact CG2-CG2 3.96Å; I18-L90 HydrophobicContact CG2-CD1 4.05Å; I18-L90 HydrophobicContact CG2-CD2 4.19Å
19S83.2Confident84.6Confident26 Ų2654.4 Ų54.418%0.18229%0.293CS..SBendtrans-86-171.7-176.179.10000112.1D17 N21 A22D17-S19 VanDerWaalsContact CG-OG 3.31Å; D17-S19 WeakPolarHBondContact OD1-CA 3.18Å; D17-S19 WeakPolarHBondContact OD1-CB 3.45Å; D17-S19 PolarHBondContact OD1-N 3.13Å; D17-S19 PolarHBondContact OD1-OG 2.96Å; D17-S19 PolarHBondContact OD2-OG 3.39Å; S19-N21 PolarHBondContact O-N 3.13Å; S19-N21 VanDerWaalsContact O-N 3.1Å; S19-N21 PolarHBondContact OG-N 3.15Å; S19-A22 WeakPolarHBondContact O-CB 3Å; S19-A22 PolarHBondContact O-N 3Å
20A80.1Confident85.6Confident42 Ų4260.9 Ų60.935%0.34732%0.321SS..THydrogen-bonded Turntrans-59.3-17.7174.800000113.9V225 V229A20-V225 HydrophobicContact CB-CG1 3.63Å; A20-V229 VanDerWaalsContact O-CG2 3.31Å; A20-V229 WeakPolarHBondContact O-CG2 3.15Å
21N82.3Confident86.4Confident88 Ų8862 Ų6247%0.47134%0.335SS..THydrogen-bonded Turntrans-95.81.6-176.8-63-41000113.9D17 S19 E23 V24 Y25D17-N21 WeakPolarHBondContact OD2-CB 3.3Å; S19-N21 PolarHBondContact O-N 3.13Å; S19-N21 VanDerWaalsContact O-N 3.1Å; S19-N21 PolarHBondContact OG-N 3.15Å; N21-E23 PolarHBondContact O-N 3.4Å; N21-V24 WeakPolarHBondContact O-CG2 3.48Å; N21-V24 PolarHBondContact O-N 3.31Å; N21-Y25 PolarHBondContact O-N 2.87Å
22A85.1Confident87Confident16 Ų1663.3 Ų63.313%0.13234%0.343CS..THydrogen-bonded Turntrans-58.6-24.2-177.100000113.5S19 V24 V229 I233S19-A22 WeakPolarHBondContact O-CB 3Å; S19-A22 PolarHBondContact O-N 3Å; A22-V24 VanDerWaalsContact C-N 3.31Å; A22-V24 PolarHBondContact O-N 2.92Å; A22-V229 HydrophobicContact CB-CG1 3.98Å; A22-I233 HydrophobicContact CB-CD1 4.02Å
23E84Confident87.6Confident71 Ų7168.4 Ų68.433%0.33236%0.362SS..THydrogen-bonded Turntrans-57.7-38.3173.8-82.2169.5-16000113.5N21 V229 S232 I233 R239N21-E23 PolarHBondContact O-N 3.4Å; E23-V229 HydrophobicContact CG-CB 4.47Å; E23-V229 HydrophobicContact CG-CG1 4.09Å; E23-V229 HydrophobicContact CG-CG2 4.44Å; E23-V229 VanDerWaalsContact OE1-CA 3.31Å; E23-V229 WeakPolarHBondContact OE1-CA 3.25Å; E23-S232 WeakPolarHBondContact OE1-CB 3.34Å; E23-S232 PolarHBondContact OE1-OG 2.94Å; E23-I233 HydrophobicContact CB-CG1 4.43Å; E23-I233 HydrophobicContact CG-CD1 4.48Å; E23-I233 HydrophobicContact CG-CG1 3.87Å; E23-R239 IonicContact OE1-NE 3.21Å; E23-R239 PolarHBondContact OE1-NE 3.16Å; E23-R239 IonicContact OE2-NH2 3.42Å
24V87.1Confident88.1Confident104 Ų10469.1 Ų69.163%0.6336%0.361SS*.THydrogen-bonded Turntrans-110.74.1-174.7-630000112.4N21 A22 E26N21-V24 WeakPolarHBondContact O-CG2 3.48Å; N21-V24 PolarHBondContact O-N 3.31Å; A22-V24 VanDerWaalsContact C-N 3.31Å; A22-V24 PolarHBondContact O-N 2.92Å; V24-E26 PolarHBondContact O-N 2.96Å
25Y89.9Confident88.5Confident39 Ų3971.3 Ų71.315%0.15337%0.373CS..  trans-76.6109.6-175-177-103.1000112S15 D17 N21 P27 N32 N36S15-Y25 VanDerWaalsContact O-CE1 3.3Å; S15-Y25 WeakPolarHBondContact O-CE1 3.18Å; S15-Y25 PolarHBondContact O-OH 3.22Å; D17-Y25 HydrophobicContact CB-CD1 3.58Å; D17-Y25 HydrophobicContact CB-CD2 3.56Å; D17-Y25 HydrophobicContact CB-CE1 3.94Å; D17-Y25 HydrophobicContact CB-CE2 3.94Å; D17-Y25 HydrophobicContact CB-CG 3.38Å; N21-Y25 PolarHBondContact O-N 2.87Å; Y25-P27 HydrophobicContact CE1-CB 3.81Å; Y25-P27 HydrophobicContact CE1-CG 4.35Å; Y25-N32 HydrophobicContact CD2-CB 3.93Å; Y25-N32 HydrophobicContact CE2-CB 3.78Å; Y25-N32 WeakPolarHBondContact CE2-O 3.36Å; Y25-N36 HydrophobicContact CE2-CB 3.75Å
26E91.8Very high88.8Confident86 Ų8669.4 Ų69.440%0.40236%0.359SS..  trans-103.5107.4169.9-65.3-177-150.500111.9V24 K28 R29 N32V24-E26 PolarHBondContact O-N 2.96Å; E26-K28 PolarHBondContact O-N 3.37Å; E26-K28 VanDerWaalsContact O-N 3.16Å; E26-R29 HydrophobicContact CB-CB 4.48Å; E26-R29 HydrophobicContact CB-CG 3.99Å; E26-R29 VanDerWaalsContact CD-NH2 3.33Å; E26-R29 PolarHBondContact O-N 3.48Å; E26-R29 VanDerWaalsContact O-N 3.07Å; E26-R29 IonicContact OE1-CZ 3.11Å; E26-R29 VanDerWaalsContact OE1-CZ 3.31Å; E26-R29 IonicContact OE1-NE 2.67Å; E26-R29 PolarHBondContact OE1-NE 2.94Å; E26-R29 IonicContact OE1-NH2 3.6Å; E26-R29 PolarHBondContact OE1-NH2 2.87Å; E26-R29 IonicContact OE2-CZ 2.65Å; E26-R29 IonicContact OE2-NE 3.72Å; E26-R29 PolarHBondContact OE2-NE 3.38Å; E26-R29 IonicContact OE2-NH2 2.87Å; E26-R29 PolarHBondContact OE2-NH2 2.99Å; E26-N32 WeakPolarHBondContact CA-ND2 3.39Å; E26-N32 WeakPolarHBondContact CB-ND2 3.45Å; E26-N32 PolarHBondContact N-ND2 3.09Å; E26-N32 WeakPolarHBondContact O-CB 3.3Å; E26-N32 PolarHBondContact O-ND2 3.38Å
27P90Very high89Confident72 Ų7270.5 Ų70.547%0.46836%0.363SS..THydrogen-bonded Turntrans-66.6-19.1-177.224-33.4000114Y25 R29 R33Y25-P27 HydrophobicContact CE1-CB 3.81Å; Y25-P27 HydrophobicContact CE1-CG 4.35Å; P27-R29 VanDerWaalsContact C-N 3.28Å; P27-R29 PolarHBondContact O-N 2.88Å; P27-R33 WeakPolarHBondContact O-CD 3.28Å; P27-R33 WeakPolarHBondContact O-CG 3.45Å; P27-R33 PolarHBondContact O-NE 2.82Å
28K93Very high89.1Confident200 Ų20074.1 Ų74.187%0.8738%0.382SS*.THydrogen-bonded Turntrans-71-24.3175.2-68.2-175.6179.6179.20112.3E26E26-K28 PolarHBondContact O-N 3.37Å; E26-K28 VanDerWaalsContact O-N 3.16Å
29R94.5Very high89.3Confident140 Ų14075.1 Ų75.153%0.52839%0.389SS..SBendtrans-82126.1179-63.3-169.6-171.9-170.79.2109.8E26 P27 G31 N32 R33E26-R29 HydrophobicContact CB-CB 4.48Å; E26-R29 HydrophobicContact CB-CG 3.99Å; E26-R29 VanDerWaalsContact CD-NH2 3.33Å; E26-R29 PolarHBondContact O-N 3.48Å; E26-R29 VanDerWaalsContact O-N 3.07Å; E26-R29 IonicContact OE1-CZ 3.11Å; E26-R29 VanDerWaalsContact OE1-CZ 3.31Å; E26-R29 IonicContact OE1-NE 2.67Å; E26-R29 PolarHBondContact OE1-NE 2.94Å; E26-R29 IonicContact OE1-NH2 3.6Å; E26-R29 PolarHBondContact OE1-NH2 2.87Å; E26-R29 IonicContact OE2-CZ 2.65Å; E26-R29 IonicContact OE2-NE 3.72Å; E26-R29 PolarHBondContact OE2-NE 3.38Å; E26-R29 IonicContact OE2-NH2 2.87Å; E26-R29 PolarHBondContact OE2-NH2 2.99Å; P27-R29 VanDerWaalsContact C-N 3.28Å; P27-R29 PolarHBondContact O-N 2.88Å; R29-G31 VanDerWaalsContact C-N 3.34Å; R29-G31 PolarHBondContact O-N 3.15Å; R29-N32 HydrophobicContact CB-CB 4.2Å; R29-N32 PolarHBondContact O-N 3.48Å; R29-R33 PolarHBondContact O-N 3.16Å
30F94.5Very high89.4Confident140 Ų14074 Ų7461%0.61438%0.381SS*.Hα-helixtrans-58.6-45.3176.8177.3-95.4000112.2N32 R33 L34F30-N32 VanDerWaalsContact C-N 3.31Å; F30-N32 PolarHBondContact O-N 2.86Å; F30-R33 PolarHBondContact O-N 3.43Å; F30-R33 VanDerWaalsContact O-N 3.12Å; F30-L34 HydrophobicContact CE1-CB 4.36Å; F30-L34 HydrophobicContact CE1-CD2 4.1Å; F30-L34 PolarHBondContact O-N 2.6Å
31G93.7Very high89.7Confident38 Ų3875.6 Ų75.639%0.39238%0.383SS..Hα-helixtrans-56.2-43179.300000112.9R29 L34 T35R29-G31 VanDerWaalsContact C-N 3.34Å; R29-G31 PolarHBondContact O-N 3.15Å; G31-L34 PolarHBondContact O-N 3.19Å; G31-T35 PolarHBondContact O-N 3.36Å; G31-T35 PolarHBondContact O-OG1 3.21Å; G31-T35 VanDerWaalsContact O-OG1 3.12Å
32N93Very high89.9Confident44 Ų4477.4 Ų77.424%0.23539%0.389CS..Hα-helixtrans-63.3-45.5176.6-70.91.6000111.8Y25 E26 R29 F30 L34 T35 N36Y25-N32 HydrophobicContact CD2-CB 3.93Å; Y25-N32 HydrophobicContact CE2-CB 3.78Å; Y25-N32 WeakPolarHBondContact CE2-O 3.36Å; E26-N32 WeakPolarHBondContact CA-ND2 3.39Å; E26-N32 WeakPolarHBondContact CB-ND2 3.45Å; E26-N32 PolarHBondContact N-ND2 3.09Å; E26-N32 WeakPolarHBondContact O-CB 3.3Å; E26-N32 PolarHBondContact O-ND2 3.38Å; R29-N32 HydrophobicContact CB-CB 4.2Å; R29-N32 PolarHBondContact O-N 3.48Å; F30-N32 VanDerWaalsContact C-N 3.31Å; F30-N32 PolarHBondContact O-N 2.86Å; N32-L34 VanDerWaalsContact C-N 3.3Å; N32-L34 PolarHBondContact O-N 2.87Å; N32-T35 PolarHBondContact O-N 3.06Å; N32-N36 WeakPolarHBondContact O-CB 3.31Å; N32-N36 PolarHBondContact O-N 2.99Å
33R93.6Very high89.8Confident111 Ų11179.5 Ų79.542%0.41940%0.396SS..Hα-helixtrans-61.6-38.6176.3-69.9-170.8-68.7164.90.1112.1P27 R29 F30 L37P27-R33 WeakPolarHBondContact O-CD 3.28Å; P27-R33 WeakPolarHBondContact O-CG 3.45Å; P27-R33 PolarHBondContact O-NE 2.82Å; R29-R33 PolarHBondContact O-N 3.16Å; F30-R33 PolarHBondContact O-N 3.43Å; F30-R33 VanDerWaalsContact O-N 3.12Å; R33-L37 VanDerWaalsContact O-CB 3.28Å; R33-L37 WeakPolarHBondContact O-CB 3.37Å; R33-L37 PolarHBondContact O-N 3.05Å
34L92.5Very high89.6Confident77 Ų7777.2 Ų77.240%0.40339%0.386SS..Hα-helixtrans-65.1-50.4177.2178.960.9000111.1F30 G31 N32 N36 L37 L38F30-L34 HydrophobicContact CE1-CB 4.36Å; F30-L34 HydrophobicContact CE1-CD2 4.1Å; F30-L34 PolarHBondContact O-N 2.6Å; G31-L34 PolarHBondContact O-N 3.19Å; N32-L34 VanDerWaalsContact C-N 3.3Å; N32-L34 PolarHBondContact O-N 2.87Å; L34-N36 VanDerWaalsContact C-N 3.35Å; L34-N36 PolarHBondContact O-N 2.84Å; L34-L37 WeakPolarHBondContact O-CB 3.29Å; L34-L37 PolarHBondContact O-N 3.13Å; L34-L38 HydrophobicContact CG-CD1 4.46Å; L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 2.77Å
35T90.4Very high89.5Confident81 Ų8175.1 Ų75.150%0.49738%0.379SS..Hα-helixtrans-60.4-44.7177.8-55.70000111.4G31 N32 L37 L38 T39G31-T35 PolarHBondContact O-N 3.36Å; G31-T35 PolarHBondContact O-OG1 3.21Å; G31-T35 VanDerWaalsContact O-OG1 3.12Å; N32-T35 PolarHBondContact O-N 3.06Å; T35-L37 VanDerWaalsContact C-N 3.31Å; T35-L37 PolarHBondContact O-N 2.83Å; T35-L38 PolarHBondContact O-N 3.36Å; T35-L38 VanDerWaalsContact O-N 3.16Å; T35-T39 PolarHBondContact O-N 3.44Å; T35-T39 PolarHBondContact O-OG1 2.5Å
36N90.3Very high89.2Confident4 Ų478.8 Ų78.82%0.02140%0.396CS..Hα-helixtrans-64-36.5177.5-171.457000112.3S14 V16 D17 Y25 N32 L34 Y40S14-N36 PolarHBondContact O-ND2 3Å; V16-N36 VanDerWaalsContact C-ND2 3.3Å; V16-N36 PolarHBondContact O-ND2 2.96Å; D17-N36 WeakPolarHBondContact CB-OD1 3.34Å; D17-N36 PolarHBondContact OD1-OD1 3.23Å; Y25-N36 HydrophobicContact CE2-CB 3.75Å; N32-N36 WeakPolarHBondContact O-CB 3.31Å; N32-N36 PolarHBondContact O-N 2.99Å; L34-N36 VanDerWaalsContact C-N 3.35Å; L34-N36 PolarHBondContact O-N 2.84Å; N36-Y40 WeakPolarHBondContact O-CB 3.35Å; N36-Y40 PolarHBondContact O-N 2.63Å
37L89Confident88.5Confident66 Ų6679.8 Ų79.835%0.34640%0.396SS..Hα-helixtrans-63.7-42.3173.3176.962.1000111.6R33 L34 T35 Y40 I41R33-L37 VanDerWaalsContact O-CB 3.28Å; R33-L37 WeakPolarHBondContact O-CB 3.37Å; R33-L37 PolarHBondContact O-N 3.05Å; L34-L37 WeakPolarHBondContact O-CB 3.29Å; L34-L37 PolarHBondContact O-N 3.13Å; T35-L37 VanDerWaalsContact C-N 3.31Å; T35-L37 PolarHBondContact O-N 2.83Å; L37-Y40 HydrophobicContact CD1-CD1 4.27Å; L37-Y40 PolarHBondContact O-N 2.76Å; L37-I41 HydrophobicContact CD1-CD1 4.32Å; L37-I41 HydrophobicContact CD1-CG1 4.49Å; L37-I41 HydrophobicContact CG-CD1 4.15Å; L37-I41 VanDerWaalsContact O-CG1 3.3Å; L37-I41 WeakPolarHBondContact O-CG1 3.21Å; L37-I41 PolarHBondContact O-N 3.38Å
38L90.1Very high88Confident88 Ų8880 Ų8046%0.46139%0.393SS..Hα-helixtrans-63.6-48.9176.4-67.5172.7000111.4L34 T35 Y40 I41 E42L34-L38 HydrophobicContact CG-CD1 4.46Å; L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 2.77Å; T35-L38 PolarHBondContact O-N 3.36Å; T35-L38 VanDerWaalsContact O-N 3.16Å; L38-Y40 PolarHBondContact O-N 2.75Å; L38-I41 WeakPolarHBondContact O-CB 3.47Å; L38-I41 PolarHBondContact O-N 3.35Å; L38-E42 WeakPolarHBondContact O-CG 3.37Å; L38-E42 PolarHBondContact O-N 2.82Å
39T86.8Confident87.3Confident44 Ų4475.5 Ų75.527%0.2738%0.378SS..Hα-helixtrans-59.2-36.3175.3-56.50000111.9T35 E42 E43T35-T39 PolarHBondContact O-N 3.44Å; T35-T39 PolarHBondContact O-OG1 2.5Å; T39-E42 PolarHBondContact O-N 3.08Å; T39-E43 WeakPolarHBondContact O-CB 3.41Å; T39-E43 PolarHBondContact O-N 3.31Å
40Y85.4Confident86.4Confident3 Ų371.4 Ų71.41%0.01237%0.367CS..Hα-helixtrans-68.4-38.6175.1170.9-122.7000112.8P4 R5 N36 L37 L38 E42 E43 L44 N311P4-Y40 VanDerWaalsContact C-OH 3.32Å; P4-Y40 WeakPolarHBondContact CA-OH 3.42Å; R5-Y40 HydrophobicContact CB-CD2 4.02Å; R5-Y40 HydrophobicContact CB-CE2 3.4Å; R5-Y40 VanDerWaalsContact CB-CE2 3.4Å; R5-Y40 HydrophobicContact CG-CD2 4.01Å; R5-Y40 HydrophobicContact CG-CE2 3.79Å; R5-Y40 PolarHBondContact N-OH 3.19Å; N36-Y40 WeakPolarHBondContact O-CB 3.35Å; N36-Y40 PolarHBondContact O-N 2.63Å; L37-Y40 HydrophobicContact CD1-CD1 4.27Å; L37-Y40 PolarHBondContact O-N 2.76Å; L38-Y40 PolarHBondContact O-N 2.75Å; Y40-E42 VanDerWaalsContact C-N 3.33Å; Y40-E43 PolarHBondContact O-N 3.23Å; Y40-L44 HydrophobicContact CD2-CD1 4.31Å; Y40-L44 HydrophobicContact CD2-CG 4.12Å; Y40-L44 HydrophobicContact CE1-CD1 3.84Å; Y40-L44 HydrophobicContact CE2-CD1 3.5Å; Y40-L44 VanDerWaalsContact CE2-CD1 3.5Å; Y40-L44 HydrophobicContact CE2-CD2 3.99Å; Y40-L44 HydrophobicContact CE2-CG 3.52Å; Y40-L44 PolarHBondContact O-N 3.09Å; Y40-L44 WeakPolarHBondContact OH-CD1 3.49Å; Y40-N311 PolarHBondContact OH-ND2 2.99Å
41I86.8Confident85.4Confident75 Ų7565.7 Ų65.739%0.38534%0.343SS..Hα-helixtrans-62.8-43.5173.4-69.7163.2000110.3M1 L37 L38 L44 A45M1-I41 HydrophobicContact CE-CB 4.23Å; M1-I41 HydrophobicContact CE-CG1 3.83Å; M1-I41 HydrophobicContact CE-CG2 4.34Å; L37-I41 HydrophobicContact CD1-CD1 4.32Å; L37-I41 HydrophobicContact CD1-CG1 4.49Å; L37-I41 HydrophobicContact CG-CD1 4.15Å; L37-I41 VanDerWaalsContact O-CG1 3.3Å; L37-I41 WeakPolarHBondContact O-CG1 3.21Å; L37-I41 PolarHBondContact O-N 3.38Å; L38-I41 WeakPolarHBondContact O-CB 3.47Å; L38-I41 PolarHBondContact O-N 3.35Å; I41-L44 PolarHBondContact O-N 3.44Å; I41-A45 WeakPolarHBondContact O-CB 3.26Å; I41-A45 PolarHBondContact O-N 3Å
42E86.3Confident84.4Confident127 Ų12769.6 Ų69.659%0.59335%0.353SS*.Hα-helixtrans-60.4-45.9174.6-70171177.700111.7L38 T39 Y40 L44 A45 F46L38-E42 WeakPolarHBondContact O-CG 3.37Å; L38-E42 PolarHBondContact O-N 2.82Å; T39-E42 PolarHBondContact O-N 3.08Å; Y40-E42 VanDerWaalsContact C-N 3.33Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.98Å; E42-A45 PolarHBondContact O-N 3.44Å; E42-F46 WeakPolarHBondContact O-CB 3.08Å; E42-F46 PolarHBondContact O-N 3.2Å
43E83.3Confident83.2Confident60 Ų6071 Ų7128%0.2836%0.363SS..Hα-helixtrans-58.9-44.8176.5178.9-177.7-177.100111.5R5 T39 Y40 F46 W47R5-E43 IonicContact CZ-OE2 3.31Å; R5-E43 IonicContact NE-OE2 3.22Å; R5-E43 PolarHBondContact NE-OE2 3.11Å; R5-E43 IonicContact NH2-OE2 2.91Å; R5-E43 PolarHBondContact NH2-OE2 3.19Å; T39-E43 WeakPolarHBondContact O-CB 3.41Å; T39-E43 PolarHBondContact O-N 3.31Å; Y40-E43 PolarHBondContact O-N 3.23Å; E43-F46 WeakPolarHBondContact O-CB 3.4Å; E43-F46 PolarHBondContact O-N 2.96Å; E43-W47 PolarHBondContact O-N 3.15Å
44L80.5Confident81.9Confident23 Ų2372.3 Ų72.312%0.1238%0.376CS..Hα-helixtrans-67-40.3177.8-76.3-176.4000112.6M1 Y40 I41 E42 F46 W47 D48M1-L44 HydrophobicContact CE-CB 3.82Å; M1-L44 HydrophobicContact CE-CD1 3.15Å; M1-L44 HydrophobicContact CE-CG 4.07Å; M1-L44 HydrophobicContact CG-CD1 3.5Å; M1-L44 HydrophobicContact SD-CD1 3.49Å; M1-L44 WeakPolarHBondContact SD-CD1 3.17Å; Y40-L44 HydrophobicContact CD2-CD1 4.31Å; Y40-L44 HydrophobicContact CD2-CG 4.12Å; Y40-L44 HydrophobicContact CE1-CD1 3.84Å; Y40-L44 HydrophobicContact CE2-CD1 3.5Å; Y40-L44 VanDerWaalsContact CE2-CD1 3.5Å; Y40-L44 HydrophobicContact CE2-CD2 3.99Å; Y40-L44 HydrophobicContact CE2-CG 3.52Å; Y40-L44 PolarHBondContact O-N 3.09Å; Y40-L44 WeakPolarHBondContact OH-CD1 3.49Å; I41-L44 PolarHBondContact O-N 3.44Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 2.98Å; L44-F46 VanDerWaalsContact C-N 3.29Å; L44-F46 PolarHBondContact O-N 3.39Å; L44-W47 PolarHBondContact O-N 2.84Å; L44-D48 WeakPolarHBondContact O-CB 3.09Å; L44-D48 PolarHBondContact O-N 3.44Å
45A84.4Confident80.4Confident60 Ų6072 Ų7250%0.49637%0.372SS..Hα-helixtrans-61.9-40.3174.400000111.3I41 E42 D48 L49I41-A45 WeakPolarHBondContact O-CB 3.26Å; I41-A45 PolarHBondContact O-N 3Å; E42-A45 PolarHBondContact O-N 3.44Å; A45-D48 PolarHBondContact O-N 3.06Å; A45-L49 WeakPolarHBondContact O-CB 3.47Å; A45-L49 PolarHBondContact O-N 2.9Å
46F83.6Confident78.8Confident115 Ų11572.6 Ų72.650%0.50438%0.376SS..Hα-helixtrans-62.4-47.4174.7174.5-101.4000112E42 E43 L44 L49 L50E42-F46 WeakPolarHBondContact O-CB 3.08Å; E42-F46 PolarHBondContact O-N 3.2Å; E43-F46 WeakPolarHBondContact O-CB 3.4Å; E43-F46 PolarHBondContact O-N 2.96Å; L44-F46 VanDerWaalsContact C-N 3.29Å; L44-F46 PolarHBondContact O-N 3.39Å; F46-L49 PolarHBondContact O-N 3.44Å; F46-L50 HydrophobicContact CD1-CD1 3.95Å; F46-L50 HydrophobicContact CD1-CG 4.41Å; F46-L50 HydrophobicContact CE1-CD1 3.24Å; F46-L50 HydrophobicContact CE1-CG 3.98Å; F46-L50 HydrophobicContact CE2-CD1 4.21Å; F46-L50 HydrophobicContact CE2-CG 4.17Å; F46-L50 HydrophobicContact CZ-CD1 3.4Å; F46-L50 VanDerWaalsContact CZ-CD1 3.4Å; F46-L50 HydrophobicContact CZ-CD2 4.32Å; F46-L50 HydrophobicContact CZ-CG 3.86Å; F46-L50 WeakPolarHBondContact O-CB 3.25Å; F46-L50 PolarHBondContact O-N 3Å
47W77.5Confident77.1Confident108 Ų10877.5 Ų77.541%0.40941%0.408SS..Hα-helixtrans-66.6-38.1177.1-76.7118.1000112.9E43 L44 L49 L50 N51 A68E43-W47 PolarHBondContact O-N 3.15Å; L44-W47 PolarHBondContact O-N 2.84Å; W47-L49 VanDerWaalsContact C-N 3.34Å; W47-L50 HydrophobicContact CE3-CB 4.47Å; W47-L50 HydrophobicContact CE3-CD1 3.85Å; W47-L50 HydrophobicContact CZ3-CD1 3.83Å; W47-L50 PolarHBondContact O-N 3.42Å; W47-N51 WeakPolarHBondContact O-CB 3.11Å; W47-N51 VanDerWaalsContact O-CG 3.24Å; W47-N51 PolarHBondContact O-N 2.99Å; W47-N51 PolarHBondContact O-ND2 2.77Å; W47-A68 HydrophobicContact CE3-CB 4.49Å
48D78.5Confident75.5Confident76 Ų7677.1 Ų77.141%0.40641%0.414SS..Hα-helixtrans-63-42.6174.5-81.7-13.6000110.6L44 A45 N51 I52L44-D48 WeakPolarHBondContact O-CB 3.09Å; L44-D48 PolarHBondContact O-N 3.44Å; A45-D48 PolarHBondContact O-N 3.06Å; D48-N51 PolarHBondContact O-N 3.21Å; D48-I52 WeakPolarHBondContact O-CG1 3.49Å; D48-I52 PolarHBondContact O-N 2.98Å; D48-I52 VanDerWaalsContact O-N 3.14Å
49L79.6Confident73.8Confident106 Ų10682.2 Ų82.256%0.55544%0.436SS*.Hα-helixtrans-62.8-48173.8-179.863.6000111.7A45 F46 W47 N51 I52 T53A45-L49 WeakPolarHBondContact O-CB 3.47Å; A45-L49 PolarHBondContact O-N 2.9Å; F46-L49 PolarHBondContact O-N 3.44Å; W47-L49 VanDerWaalsContact C-N 3.34Å; L49-N51 VanDerWaalsContact C-N 3.31Å; L49-N51 PolarHBondContact O-N 3.36Å; L49-I52 PolarHBondContact O-N 2.8Å; L49-I52 VanDerWaalsContact O-N 3.16Å; L49-T53 WeakPolarHBondContact O-CG2 3.17Å; L49-T53 PolarHBondContact O-N 3.06Å; L49-T53 PolarHBondContact O-OG1 2.85Å
50L75.4Confident72.4Confident54 Ų5484.1 Ų84.128%0.28346%0.464SS..Hα-helixtrans-58.4-43.3177.4-82.7-173.9000111.9F46 W47 I52 T53 M54F46-L50 HydrophobicContact CD1-CD1 3.95Å; F46-L50 HydrophobicContact CD1-CG 4.41Å; F46-L50 HydrophobicContact CE1-CD1 3.24Å; F46-L50 HydrophobicContact CE1-CG 3.98Å; F46-L50 HydrophobicContact CE2-CD1 4.21Å; F46-L50 HydrophobicContact CE2-CG 4.17Å; F46-L50 HydrophobicContact CZ-CD1 3.4Å; F46-L50 VanDerWaalsContact CZ-CD1 3.4Å; F46-L50 HydrophobicContact CZ-CD2 4.32Å; F46-L50 HydrophobicContact CZ-CG 3.86Å; F46-L50 WeakPolarHBondContact O-CB 3.25Å; F46-L50 PolarHBondContact O-N 3Å; W47-L50 HydrophobicContact CE3-CB 4.47Å; W47-L50 HydrophobicContact CE3-CD1 3.85Å; W47-L50 HydrophobicContact CZ3-CD1 3.83Å; W47-L50 PolarHBondContact O-N 3.42Å; L50-I52 VanDerWaalsContact C-N 3.32Å; L50-I52 PolarHBondContact O-N 2.8Å; L50-T53 WeakPolarHBondContact CA-OG1 3.27Å; L50-T53 CarbonylContact O-C 3.52Å; L50-T53 PolarHBondContact O-N 2.84Å; L50-T53 VanDerWaalsContact O-N 3.13Å; L50-T53 PolarHBondContact O-OG1 2.83Å; L50-M54 WeakPolarHBondContact O-CB 3.48Å; L50-M54 WeakPolarHBondContact O-CG 3.3Å; L50-M54 PolarHBondContact O-N 3.18Å
51N72.6Confident71Confident20 Ų2088.4 Ų88.411%0.10749%0.486CS..Hα-helixtrans-59.7-43176.9-76.3-46.5000111.3W47 D48 L49 T53 M54 E55 A68W47-N51 WeakPolarHBondContact O-CB 3.11Å; W47-N51 VanDerWaalsContact O-CG 3.24Å; W47-N51 PolarHBondContact O-N 2.99Å; W47-N51 PolarHBondContact O-ND2 2.77Å; D48-N51 PolarHBondContact O-N 3.21Å; L49-N51 VanDerWaalsContact C-N 3.31Å; L49-N51 PolarHBondContact O-N 3.36Å; N51-T53 VanDerWaalsContact C-N 3.31Å; N51-T53 PolarHBondContact O-N 3.29Å; N51-M54 PolarHBondContact O-N 2.84Å; N51-E55 WeakPolarHBondContact O-CB 3.45Å; N51-E55 WeakPolarHBondContact O-CG 3.35Å; N51-E55 PolarHBondContact O-N 3.49Å; N51-A68 WeakPolarHBondContact OD1-CB 3.25Å; N51-A68 PolarHBondContact OD1-N 3.04Å; N51-A68 VanDerWaalsContact OD1-N 3.1Å
52I72.6Confident69.4Low119 Ų11991.1 Ų91.161%0.6151%0.509SS*.Hα-helixtrans-61.6-42.1175.4-66.2163.9000110.6D48 L49 L50D48-I52 WeakPolarHBondContact O-CG1 3.49Å; D48-I52 PolarHBondContact O-N 2.98Å; D48-I52 VanDerWaalsContact O-N 3.14Å; L49-I52 PolarHBondContact O-N 2.8Å; L49-I52 VanDerWaalsContact O-N 3.16Å; L50-I52 VanDerWaalsContact C-N 3.32Å; L50-I52 PolarHBondContact O-N 2.8Å
53T69.3Low67.7Low73 Ų7390 Ų9045%0.44851%0.506SS..Hα-helixtrans-73.6-29.3179.960.70000114.1L49 L50 N51 T56L49-T53 WeakPolarHBondContact O-CG2 3.17Å; L49-T53 PolarHBondContact O-N 3.06Å; L49-T53 PolarHBondContact O-OG1 2.85Å; L50-T53 WeakPolarHBondContact CA-OG1 3.27Å; L50-T53 CarbonylContact O-C 3.52Å; L50-T53 PolarHBondContact O-N 2.84Å; L50-T53 VanDerWaalsContact O-N 3.13Å; L50-T53 PolarHBondContact O-OG1 2.83Å; N51-T53 VanDerWaalsContact C-N 3.31Å; N51-T53 PolarHBondContact O-N 3.29Å; T53-T56 PolarHBondContact O-OG1 3.26Å
54M65.6Low66.4Low140 Ų14089.6 Ų89.669%0.6952%0.517SS*.Hα-helixtrans-92.4-15.5179.6-64.7-135.7-43.800113.5L50 N51 T56L50-M54 WeakPolarHBondContact O-CB 3.48Å; L50-M54 WeakPolarHBondContact O-CG 3.3Å; L50-M54 PolarHBondContact O-N 3.18Å; N51-M54 PolarHBondContact O-N 2.84Å; M54-T56 PolarHBondContact O-N 3.09Å
55E61.7Low65.5Low70 Ų7096.8 Ų96.833%0.32755%0.548SS..SBendtrans-64.5-13.1170.7-86.6-172.3178.700112.1N51 P57 R67N51-E55 WeakPolarHBondContact O-CB 3.45Å; N51-E55 WeakPolarHBondContact O-CG 3.35Å; N51-E55 PolarHBondContact O-N 3.49Å; E55-P57 WeakPolarHBondContact O-CD 3.28Å; E55-R67 IonicContact OE1-CZ 2.75Å; E55-R67 IonicContact OE1-NE 3.64Å; E55-R67 PolarHBondContact OE1-NE 2.56Å; E55-R67 IonicContact OE1-NH2 3.84Å; E55-R67 PolarHBondContact OE1-NH2 3.22Å
56T56Low64.4Low94 Ų94100.7 Ų100.758%0.57755%0.55SS*.SBendtrans-67.7117.616557.40000109T53 M54 A58T53-T56 PolarHBondContact O-OG1 3.26Å; M54-T56 PolarHBondContact O-N 3.09Å; T56-A58 PolarHBondContact O-N 2.8Å; T56-A58 VanDerWaalsContact O-N 3.09Å
57P54.6Low63.6Low107 Ų107101 Ų10170%0.69555%0.548SS*.  trans-54.8121178.3-20.130.2000109.5E55 E59E55-P57 WeakPolarHBondContact O-CD 3.28Å; P57-E59 PolarHBondContact O-N 3Å; P57-E59 VanDerWaalsContact O-N 3.08Å
58A55.7Low63.2Low57 Ų5797.1 Ų97.147%0.47154%0.538SS..  trans-61.9114.3164.400000106.8T56 G60 I61T56-A58 PolarHBondContact O-N 2.8Å; T56-A58 VanDerWaalsContact O-N 3.09Å; A58-G60 PolarHBondContact O-N 3.45Å; A58-I61 HydrophobicContact CB-CD1 3.92Å; A58-I61 HydrophobicContact CB-CG1 4.08Å; A58-I61 PolarHBondContact O-N 3.44Å; A58-I61 VanDerWaalsContact O-N 3.09Å
59E54.3Low62.8Low196 Ų19695.1 Ų95.192%0.91653%0.529SS*.THydrogen-bonded Turntrans-47.7127.2178.1-94.5-177.4157.400110.2P57 I61P57-E59 PolarHBondContact O-N 3Å; P57-E59 VanDerWaalsContact O-N 3.08Å; E59-I61 VanDerWaalsContact C-N 3.34Å; E59-I61 PolarHBondContact O-N 3.09Å
60G57.5Low62.6Low83 Ų8392.8 Ų92.886%0.85652%0.518SS*.THydrogen-bonded Turntrans82.8-3.9175.600000116.3A58A58-G60 PolarHBondContact O-N 3.45Å
61I55.7Low62.4Low93 Ų9395.9 Ų95.948%0.47753%0.529SS..  trans-107.9111171.3-30.9179.4000109.4A58 E59 I63A58-I61 HydrophobicContact CB-CD1 3.92Å; A58-I61 HydrophobicContact CB-CG1 4.08Å; A58-I61 PolarHBondContact O-N 3.44Å; A58-I61 VanDerWaalsContact O-N 3.09Å; E59-I61 VanDerWaalsContact C-N 3.34Å; E59-I61 PolarHBondContact O-N 3.09Å; I61-I63 HydrophobicContact CB-CD1 4.13Å; I61-I63 HydrophobicContact CB-CG1 3.73Å; I61-I63 HydrophobicContact CD1-CD1 4.37Å; I61-I63 HydrophobicContact CG2-CD1 3.61Å; I61-I63 HydrophobicContact CG2-CG1 3.2Å; I61-I63 PolarHBondContact O-N 3.49Å
62P53.2Low62.4Low133 Ų13399.8 Ų99.886%0.86454%0.543SS*.  trans-74.338.7176.532.7-34.5000111.5G64P62-G64 PolarHBondContact O-N 2.73Å
63I51.5Low62.6Low103 Ų10394.9 Ų94.953%0.52852%0.518SS..  trans-73.3110162.4-27.2-178.2000103.8I61 W66I61-I63 HydrophobicContact CB-CD1 4.13Å; I61-I63 HydrophobicContact CB-CG1 3.73Å; I61-I63 HydrophobicContact CD1-CD1 4.37Å; I61-I63 HydrophobicContact CG2-CD1 3.61Å; I61-I63 HydrophobicContact CG2-CG1 3.2Å; I61-I63 PolarHBondContact O-N 3.49Å; I63-W66 HydrophobicContact CG2-CG 4.23Å
64G55.5Low63Low51 Ų5196.1 Ų96.153%0.52652%0.522SS..  trans-56.2-168-179.600000114P62 W66P62-G64 PolarHBondContact O-N 2.73Å; G64-W66 VanDerWaalsContact O-CD1 3.27Å; G64-W66 PolarHBondContact O-N 2.9Å
65K61.6Low63.8Low174 Ų17490.7 Ų90.776%0.75750%0.502SS*.SBendtrans-71.874.9170.7-65.5-177.6179.1-176.30110
66W61.1Low64.9Low142 Ų14288.4 Ų88.454%0.53850%0.495SS..  trans-82.1123.3176.6-69.565000108.6I63 G64 F71I63-W66 HydrophobicContact CG2-CG 4.23Å; G64-W66 VanDerWaalsContact O-CD1 3.27Å; G64-W66 PolarHBondContact O-N 2.9Å; W66-F71 HydrophobicContact CB-CE2 4.29Å; W66-F71 HydrophobicContact CD2-CZ 4.13Å; W66-F71 HydrophobicContact CE3-CD1 4.31Å; W66-F71 HydrophobicContact CE3-CD2 4.45Å; W66-F71 AromaticContact CE3-CE1 3.56Å; W66-F71 HydrophobicContact CE3-CE1 3.56Å; W66-F71 AromaticContact CE3-CE2 3.74Å; W66-F71 HydrophobicContact CE3-CE2 3.74Å; W66-F71 AromaticContact CE3-CZ 3.24Å; W66-F71 HydrophobicContact CE3-CZ 3.24Å; W66-F71 HydrophobicContact CZ3-CD1 4.19Å; W66-F71 AromaticContact CZ3-CE1 3.51Å; W66-F71 HydrophobicContact CZ3-CE1 3.51Å; W66-F71 AromaticContact CZ3-CZ 3.72Å; W66-F71 HydrophobicContact CZ3-CZ 3.72Å
67R67.1Low66.3Low123 Ų12386 Ų8646%0.46448%0.476SS..  trans-93.3133.9168-60.3-177.3164.9155.21.5108.4E55 P69 D70E55-R67 IonicContact OE1-CZ 2.75Å; E55-R67 IonicContact OE1-NE 3.64Å; E55-R67 PolarHBondContact OE1-NE 2.56Å; E55-R67 IonicContact OE1-NH2 3.84Å; E55-R67 PolarHBondContact OE1-NH2 3.22Å; R67-P69 VanDerWaalsContact O-N 3.08Å; R67-D70 WeakPolarHBondContact O-CB 3.35Å; R67-D70 PolarHBondContact O-N 3.49Å
68A68.1Low67.8Low25 Ų2582 Ų8221%0.20745%0.45CS..THydrogen-bonded Turntrans-48.4-37.4177.400000113.7W47 N51 D70 F71W47-A68 HydrophobicContact CE3-CB 4.49Å; N51-A68 WeakPolarHBondContact OD1-CB 3.25Å; N51-A68 PolarHBondContact OD1-N 3.04Å; N51-A68 VanDerWaalsContact OD1-N 3.1Å; A68-D70 VanDerWaalsContact C-N 3.3Å; A68-D70 PolarHBondContact O-N 3.04Å; A68-F71 WeakPolarHBondContact O-CD2 3.44Å; A68-F71 PolarHBondContact O-N 3.3Å
69P70.2Confident69.4Low34 Ų3483.7 Ų83.722%0.22145%0.45CS..THydrogen-bonded Turntrans-69.8-23.3178.4-17.131.6000115L3 R67 F71 Y72 T73L3-P69 HydrophobicContact CB-CB 4.48Å; L3-P69 HydrophobicContact CD1-CB 3.12Å; L3-P69 HydrophobicContact CD1-CG 4.06Å; L3-P69 HydrophobicContact CG-CB 4.36Å; R67-P69 VanDerWaalsContact O-N 3.08Å; P69-F71 PolarHBondContact O-N 3.42Å; P69-Y72 PolarHBondContact O-N 3.18Å; P69-T73 PolarHBondContact O-N 2.95Å; P69-T73 PolarHBondContact O-OG1 3.33Å
70D74.8Confident70.8Confident58 Ų5874.9 Ų74.931%0.3141%0.412SS..Hα-helixtrans-65.8-25179.1-67.9-25.3000111.9R67 A68 Y72 T73 N74R67-D70 WeakPolarHBondContact O-CB 3.35Å; R67-D70 PolarHBondContact O-N 3.49Å; A68-D70 VanDerWaalsContact C-N 3.3Å; A68-D70 PolarHBondContact O-N 3.04Å; D70-Y72 PolarHBondContact O-N 3.43Å; D70-T73 WeakPolarHBondContact CA-OG1 3.3Å; D70-T73 PolarHBondContact O-N 2.89Å; D70-N74 VanDerWaalsContact O-CB 3.3Å; D70-N74 WeakPolarHBondContact O-CB 3.44Å; D70-N74 PolarHBondContact O-N 3.47Å
71F72.1Confident72.1Confident119 Ų11973.7 Ų73.752%0.52239%0.391SS..Hα-helixtrans-61.1-35173-71.8-89.9000111.9W66 A68 P69W66-F71 HydrophobicContact CB-CE2 4.29Å; W66-F71 HydrophobicContact CD2-CZ 4.13Å; W66-F71 HydrophobicContact CE3-CD1 4.31Å; W66-F71 HydrophobicContact CE3-CD2 4.45Å; W66-F71 AromaticContact CE3-CE1 3.56Å; W66-F71 HydrophobicContact CE3-CE1 3.56Å; W66-F71 AromaticContact CE3-CE2 3.74Å; W66-F71 HydrophobicContact CE3-CE2 3.74Å; W66-F71 AromaticContact CE3-CZ 3.24Å; W66-F71 HydrophobicContact CE3-CZ 3.24Å; W66-F71 HydrophobicContact CZ3-CD1 4.19Å; W66-F71 AromaticContact CZ3-CE1 3.51Å; W66-F71 HydrophobicContact CZ3-CE1 3.51Å; W66-F71 AromaticContact CZ3-CZ 3.72Å; W66-F71 HydrophobicContact CZ3-CZ 3.72Å; A68-F71 WeakPolarHBondContact O-CD2 3.44Å; A68-F71 PolarHBondContact O-N 3.3Å; P69-F71 PolarHBondContact O-N 3.42Å
72Y72.3Confident73.6Confident101 Ų10169.3 Ų69.340%0.39637%0.368SS..Hα-helixtrans-87.2-25.6-178.8-55.5-68.2000113.2A6 P69 D70A6-Y72 HydrophobicContact CB-CD1 4.08Å; A6-Y72 HydrophobicContact CB-CD2 4.06Å; A6-Y72 HydrophobicContact CB-CG 3.74Å; P69-Y72 PolarHBondContact O-N 3.18Å; D70-Y72 PolarHBondContact O-N 3.43Å
73T76.2Confident75.3Confident16 Ų1664.3 Ų64.310%0.09834%0.336CS..Hα-helixtrans-97.4-36.7-175.759.50000113.1L3 P69 D70 T307 V308L3-T73 HydrophobicContact CD1-CG2 4.21Å; L3-T73 HydrophobicContact CD2-CG2 4.22Å; P69-T73 PolarHBondContact O-N 2.95Å; P69-T73 PolarHBondContact O-OG1 3.33Å; D70-T73 WeakPolarHBondContact CA-OG1 3.3Å; D70-T73 PolarHBondContact O-N 2.89Å; T73-T307 WeakPolarHBondContact CG2-O 3.41Å; T73-V308 HydrophobicContact CG2-CG1 4.37Å
74N79.1Confident77.1Confident100 Ų10061.4 Ų61.454%0.53533%0.327SS..Hα-helixtrans-95-16.6-174.8-66.3-30.1000113.5D70 A76 K303D70-N74 VanDerWaalsContact O-CB 3.3Å; D70-N74 WeakPolarHBondContact O-CB 3.44Å; D70-N74 PolarHBondContact O-N 3.47Å; N74-A76 PolarHBondContact O-N 2.84Å; N74-K303 VanDerWaalsContact O-CE 3.26Å; N74-K303 WeakPolarHBondContact O-CE 3.47Å; N74-K303 PolarHBondContact O-NZ 3.48Å
75G81.1Confident78.8Confident25 Ų2562.9 Ų62.926%0.25832%0.322SS..  trans-59.5132.3177.200000112.9K303G75-K303 VanDerWaalsContact O-CE 3.24Å; G75-K303 WeakPolarHBondContact O-CE 3.34Å
76A84.4Confident80.2Confident22 Ų2254.6 Ų54.618%0.18229%0.286CS..SBendtrans-66.5-44.8169.600000110.5N74 N95 Y292 T299 I302N74-A76 PolarHBondContact O-N 2.84Å; A76-N95 WeakPolarHBondContact O-CB 3.24Å; A76-Y292 HydrophobicContact CB-CD2 4.5Å; A76-Y292 HydrophobicContact CB-CE2 4.22Å; A76-T299 HydrophobicContact CB-CG2 3.45Å; A76-T299 VanDerWaalsContact CB-CG2 3.45Å; A76-I302 WeakPolarHBondContact O-CD1 3.41Å
77Y87.3Confident81.6Confident44 Ų4448.1 Ų48.117%0.17326%0.262CS..  trans-127.3150.6174.8-67.5-58.7000110.8N95 F97 C288 Y292 I302Y77-N95 CarbonylContact C-O 3.07Å; Y77-N95 WeakPolarHBondContact CA-O 3.35Å; Y77-N95 HydrophobicContact CD1-CB 4.03Å; Y77-N95 WeakPolarHBondContact CD1-O 3.25Å; Y77-F97 HydrophobicContact CD1-CD1 4.14Å; Y77-F97 AromaticContact CD1-CE1 3.74Å; Y77-F97 HydrophobicContact CD1-CE1 3.74Å; Y77-F97 AromaticContact CD2-CE1 3.75Å; Y77-F97 HydrophobicContact CD2-CE1 3.75Å; Y77-F97 HydrophobicContact CD2-CZ 4.33Å; Y77-F97 HydrophobicContact CE1-CE1 4.22Å; Y77-F97 HydrophobicContact CE2-CE1 4.18Å; Y77-F97 HydrophobicContact CG-CD1 4.31Å; Y77-F97 AromaticContact CG-CE1 3.49Å; Y77-F97 HydrophobicContact CG-CE1 3.49Å; Y77-F97 VanDerWaalsContact CG-CE1 3.49Å; Y77-F97 HydrophobicContact CG-CZ 4.37Å; Y77-C288 VanDerWaalsContact CE2-O 3.27Å; Y77-C288 WeakPolarHBondContact CE2-O 3.41Å; Y77-C288 PolarHBondContact OH-O 2.95Å; Y77-C288 VanDerWaalsContact OH-O 3.1Å; Y77-Y292 HydrophobicContact CE2-CG 4.27Å; Y77-I302 HydrophobicContact CD1-CD1 3.9Å; Y77-I302 HydrophobicContact CE1-CD1 3.47Å; Y77-I302 VanDerWaalsContact CE1-CD1 3.47Å
78S86Confident82.5Confident23 Ų2343.3 Ų43.316%0.16125%0.247CC..EExtended strand (participates in β ladder)trans-106.9112.9165.1178.10000108.6R8 N95 T96 F97R8-S78 WeakPolarHBondContact CA-OG 3.34Å; S78-N95 PolarHBondContact N-O 2.76Å; S78-T96 WeakPolarHBondContact O-CA 3.36Å; S78-F97 PolarHBondContact O-N 3.27Å
79I87.5Confident83.3Confident92 Ų9248.5 Ų48.547%0.47228%0.278SS..EExtended strand (participates in β ladder)trans-95.8118178.6-52.3-179.1000108.3F97 V99I79-F97 WeakPolarHBondContact CA-O 3.47Å; I79-F97 HydrophobicContact CD1-CE2 3.85Å; I79-F97 HydrophobicContact CD1-CZ 3.71Å; I79-F97 HydrophobicContact CG1-CD2 4.48Å; I79-F97 HydrophobicContact CG1-CE1 4.27Å; I79-F97 HydrophobicContact CG1-CE2 3.74Å; I79-F97 HydrophobicContact CG1-CZ 3.62Å; I79-F97 HydrophobicContact CG2-CD2 4.48Å; I79-F97 HydrophobicContact CG2-CE2 4.17Å; I79-V99 HydrophobicContact CG2-CB 3.74Å; I79-V99 HydrophobicContact CG2-CG2 3.67Å
80G84.9Confident84Confident11 Ų1148.3 Ų48.311%0.11328%0.275CS..EExtended strand (participates in β ladder)trans-99.3155.9175.900000112.4F97 I98 V99G80-F97 PolarHBondContact N-O 2.8Å; G80-I98 VanDerWaalsContact O-CA 3.27Å; G80-I98 WeakPolarHBondContact O-CA 3.49Å; G80-I98 WeakPolarHBondContact O-CG2 3.36Å; G80-V99 PolarHBondContact O-N 3.32Å; G80-V99 VanDerWaalsContact O-N 3.09Å
81S84.3Confident84.4Confident58 Ų5849 Ų4941%0.40628%0.283SS..SBendtrans-96.7146153.350.60000107.8R8 I202R8-S81 PolarHBondContact NH2-O 3.37Å; S81-I202 WeakPolarHBondContact OG-CD1 3.07Å
82L88.3Confident85Confident1 Ų147.7 Ų47.71%0.00528%0.278CS..SBendtrans92.9115.3-176.5-167.473.5000116R8 A84 L86 D87 I98 D100 I202 F205 L206 L230R8-L82 PolarHBondContact NH1-O 3.2Å; R8-L82 PolarHBondContact NH2-O 2.75Å; L82-A84 PolarHBondContact O-N 2.77Å; L82-L86 HydrophobicContact CD1-CB 3.62Å; L82-L86 HydrophobicContact CD1-CD1 4Å; L82-L86 HydrophobicContact CD1-CG 4.47Å; L82-L86 HydrophobicContact CG-CB 4.01Å; L82-D87 HydrophobicContact CD2-CB 4.03Å; L82-I98 WeakPolarHBondContact O-CD1 3.25Å; L82-I98 WeakPolarHBondContact O-CG1 3.33Å; L82-D100 WeakPolarHBondContact CA-OD2 3.44Å; L82-D100 PolarHBondContact N-OD2 3.4Å; L82-I202 HydrophobicContact CB-CD1 4.41Å; L82-F205 HydrophobicContact CD1-CD1 3.91Å; L82-F205 HydrophobicContact CD1-CE1 3.53Å; L82-L206 HydrophobicContact CD1-CD2 4.14Å; L82-L230 HydrophobicContact CD2-CD1 3.51Å
83P88.6Confident85.6Confident29 Ų2944.2 Ų44.219%0.18827%0.268CS..  trans-44.5135165.2-31.637.5000113.4I85 L86 D87 L206 I274P83-I85 HydrophobicContact CB-CG2 4.04Å; P83-I85 PolarHBondContact O-N 3.4Å; P83-I85 VanDerWaalsContact O-N 3.14Å; P83-L86 HydrophobicContact CB-CD1 4.24Å; P83-L86 HydrophobicContact CB-CG 4.25Å; P83-L86 HydrophobicContact CG-CD1 4.11Å; P83-L86 PolarHBondContact O-N 3.14Å; P83-D87 PolarHBondContact O-N 2.6Å; P83-L206 HydrophobicContact CG-CD2 4.41Å; P83-I274 HydrophobicContact CB-CG2 4.33Å
84A88.4Confident86Confident42 Ų4248.9 Ų48.935%0.34730%0.296SS..G310 helixtrans-52.1-38.3179.500000113.2L82 L86 D87L82-A84 PolarHBondContact O-N 2.77Å; A84-L86 PolarHBondContact O-N 2.76Å; A84-D87 WeakPolarHBondContact O-CB 3.45Å; A84-D87 PolarHBondContact O-N 3.44Å; A84-D87 VanDerWaalsContact O-N 3.1Å
85I90.8Very high86.4Confident81 Ų8144.4 Ų44.442%0.41527%0.272SS..G310 helixtrans-64.9-25.6180-164.366.8000112.8P83 F270 M273 I274P83-I85 HydrophobicContact CB-CG2 4.04Å; P83-I85 PolarHBondContact O-N 3.4Å; P83-I85 VanDerWaalsContact O-N 3.14Å; I85-F270 HydrophobicContact CG1-CD1 4.46Å; I85-F270 HydrophobicContact CG1-CE1 4.28Å; I85-F270 WeakPolarHBondContact O-CE1 2.97Å; I85-M273 HydrophobicContact CD1-SD 4.45Å; I85-M273 HydrophobicContact CG1-CB 4.44Å; I85-M273 HydrophobicContact CG1-SD 4.37Å; I85-I274 HydrophobicContact CG2-CG2 3.52Å
86L92.7Very high86.8Confident0 Ų043.8 Ų43.80%026%0.263CS..G310 helixtrans-90.7-5.2176.9-62.7177.8000112.8L82 P83 A84 F205 L206 V209 H234 F236 F270 I274L82-L86 HydrophobicContact CD1-CB 3.62Å; L82-L86 HydrophobicContact CD1-CD1 4Å; L82-L86 HydrophobicContact CD1-CG 4.47Å; L82-L86 HydrophobicContact CG-CB 4.01Å; P83-L86 HydrophobicContact CB-CD1 4.24Å; P83-L86 HydrophobicContact CB-CG 4.25Å; P83-L86 HydrophobicContact CG-CD1 4.11Å; P83-L86 PolarHBondContact O-N 3.14Å; A84-L86 PolarHBondContact O-N 2.76Å; L86-F205 HydrophobicContact CB-CE1 4.13Å; L86-F205 HydrophobicContact CB-CZ 4.46Å; L86-F205 HydrophobicContact CD1-CE1 3.92Å; L86-F205 HydrophobicContact CG-CE1 4.47Å; L86-L206 HydrophobicContact CD1-CD2 3.89Å; L86-V209 HydrophobicContact CD1-CB 4.43Å; L86-V209 HydrophobicContact CD1-CG1 4.19Å; L86-V209 HydrophobicContact CD1-CG2 4.27Å; L86-V209 HydrophobicContact CD2-CG1 3.94Å; L86-V209 HydrophobicContact CD2-CG2 4.17Å; L86-H234 VanDerWaalsContact C-NE2 3.26Å; L86-H234 PolarHBondContact O-NE2 3.02Å; L86-F236 HydrophobicContact CD2-CE2 3.97Å; L86-F236 HydrophobicContact CD2-CZ 3.85Å; L86-F270 HydrophobicContact CD2-CB 4.34Å; L86-F270 HydrophobicContact CD2-CD1 3.62Å; L86-F270 HydrophobicContact CD2-CE1 4.36Å; L86-F270 HydrophobicContact CD2-CG 4.38Å; L86-I274 HydrophobicContact CD1-CG2 3.94Å; L86-I274 HydrophobicContact CD2-CG2 4.07Å; L86-I274 HydrophobicContact CG-CG2 3.85Å
87D89.4Confident86.9Confident6 Ų643.3 Ų43.33%0.03226%0.257CS..SBendtrans-91.8171.1175.6-145.1-33.7000110.9F7 R8 L82 P83 A84 R226F7-D87 WeakPolarHBondContact CZ-OD2 3.33Å; R8-D87 IonicContact CZ-OD2 2.69Å; R8-D87 IonicContact NH2-OD2 3.46Å; L82-D87 HydrophobicContact CD2-CB 4.03Å; P83-D87 PolarHBondContact O-N 2.6Å; A84-D87 WeakPolarHBondContact O-CB 3.45Å; A84-D87 PolarHBondContact O-N 3.44Å; A84-D87 VanDerWaalsContact O-N 3.1Å; D87-R226 IonicContact OD1-CZ 2.64Å; D87-R226 IonicContact OD1-NH1 2.96Å; D87-R226 IonicContact OD1-NH2 3.49Å; D87-R226 PolarHBondContact OD1-NH2 3.05Å; D87-R226 IonicContact OD2-CZ 4Å; D87-R226 IonicContact OD2-NH1 2.92Å; D87-R226 IonicContact OD2-NH2 3.36Å; D87-R226 PolarHBondContact OD2-NH2 3.44Å
88V86.1Confident86.9Confident23 Ų2342.3 Ų42.314%0.13926%0.255CS..  trans-64146.9160.2-67.50000108.8I18 L90 L230 I233I18-V88 HydrophobicContact CG2-CG2 3.96Å; V88-L90 HydrophobicContact CG2-CD1 3.95Å; V88-L90 HydrophobicContact CG2-CD2 4.14Å; V88-L90 HydrophobicContact CG2-CG 3.94Å; V88-L90 WeakPolarHBondContact O-CG 3.46Å; V88-L90 PolarHBondContact O-N 2.91Å; V88-L230 HydrophobicContact CG1-CD2 4.09Å; V88-I233 HydrophobicContact CG1-CD1 4.05Å
89P84.7Confident86.9Confident134 Ų13443.5 Ų43.587%0.8726%0.261SS*.  trans-60.9111.5-179.8-2535000111.3
90L84.7Confident86.4Confident29 Ų2940.2 Ų40.215%0.15224%0.244CC..  trans-128.7149-179-64172.5000110F7 L12 V16 I18 V88 Q92F7-L90 HydrophobicContact CD1-CD1 3.39Å; F7-L90 HydrophobicContact CE1-CD1 3.44Å; F7-L90 VanDerWaalsContact CE1-CD1 3.44Å; F7-L90 HydrophobicContact CG-CD1 4.16Å; F7-L90 HydrophobicContact CZ-CD1 4.28Å; L12-L90 HydrophobicContact CD1-CD1 4.38Å; L12-L90 HydrophobicContact CD1-CD2 4.05Å; L12-L90 HydrophobicContact CD2-CB 4.48Å; L12-L90 HydrophobicContact CD2-CD2 3.77Å; V16-L90 HydrophobicContact CG1-CD2 3.56Å; I18-L90 HydrophobicContact CG2-CD1 4.05Å; I18-L90 HydrophobicContact CG2-CD2 4.19Å; V88-L90 HydrophobicContact CG2-CD1 3.95Å; V88-L90 HydrophobicContact CG2-CD2 4.14Å; V88-L90 HydrophobicContact CG2-CG 3.94Å; V88-L90 WeakPolarHBondContact O-CG 3.46Å; V88-L90 PolarHBondContact O-N 2.91Å; L90-Q92 PolarHBondContact O-N 3.06Å
91P83.8Confident85.8Confident74 Ų7443.7 Ų43.748%0.48125%0.254SS..  trans-60.3137.6173.727.4-35.1000110.3V10 L12V10-P91 HydrophobicContact CB-CG 4.5Å; V10-P91 HydrophobicContact CG1-CB 3.92Å; V10-P91 HydrophobicContact CG1-CG 3.65Å; L12-P91 HydrophobicContact CD2-CG 4.02Å
92Q83.6Confident85.5Confident91 Ų9145.3 Ų45.343%0.42526%0.255SS..  trans-122.1160173-62.2-162.2-800109.9L90L90-Q92 PolarHBondContact O-N 3.06Å
93T85.1Confident85.2Confident27 Ų2747 Ų4717%0.16627%0.267CS..  trans-136.8162.1-173.9174.20000110V10 N95 T96 L304V10-T93 HydrophobicContact CG2-CG2 3.52Å; T93-N95 WeakPolarHBondContact CG2-OD1 3.45Å; T93-N95 PolarHBondContact O-N 3.19Å; T93-N95 VanDerWaalsContact O-N 3.13Å; T93-T96 WeakPolarHBondContact CG2-OG1 3.38Å; T93-T96 WeakPolarHBondContact O-CB 3.33Å; T93-T96 PolarHBondContact O-N 3.48Å; T93-L304 HydrophobicContact CG2-CD1 3.76Å; T93-L304 HydrophobicContact CG2-CG 4.29Å
94V86Confident84.7Confident115 Ų11546.9 Ų46.970%0.69727%0.266SS*.THydrogen-bonded Turntrans-61.1-21.3-177.6-61.40000114T96 I302V94-T96 VanDerWaalsContact C-N 3.32Å; V94-I302 HydrophobicContact CG2-CB 4.15Å; V94-I302 HydrophobicContact CG2-CG2 4.2Å
95N87.5Confident84.3Confident5 Ų553.3 Ų53.33%0.02729%0.287CS..THydrogen-bonded Turntrans-91.68.4175.481.6-26.7000113.7A76 Y77 S78 T93 I302A76-N95 WeakPolarHBondContact O-CB 3.24Å; Y77-N95 CarbonylContact C-O 3.07Å; Y77-N95 WeakPolarHBondContact CA-O 3.35Å; Y77-N95 HydrophobicContact CD1-CB 4.03Å; Y77-N95 WeakPolarHBondContact CD1-O 3.25Å; S78-N95 PolarHBondContact N-O 2.76Å; T93-N95 WeakPolarHBondContact CG2-OD1 3.45Å; T93-N95 PolarHBondContact O-N 3.19Å; T93-N95 VanDerWaalsContact O-N 3.13Å; N95-I302 HydrophobicContact CB-CB 4.02Å; N95-I302 HydrophobicContact CB-CD1 4.24Å; N95-I302 HydrophobicContact CB-CG1 4.17Å; N95-I302 WeakPolarHBondContact CB-O 3.44Å
96T87.7Confident83.4Confident13 Ų1355.3 Ų55.38%0.0831%0.305CS..EExtended strand (participates in β ladder)trans-114.3127.7176.7-63.60000109.7R8 S78 T93 V94R8-T96 HydrophobicContact CB-CG2 3.73Å; R8-T96 HydrophobicContact CG-CG2 4.35Å; R8-T96 PolarHBondContact O-OG1 2.89Å; S78-T96 WeakPolarHBondContact O-CA 3.36Å; T93-T96 WeakPolarHBondContact CG2-OG1 3.38Å; T93-T96 WeakPolarHBondContact O-CB 3.33Å; T93-T96 PolarHBondContact O-N 3.48Å; V94-T96 VanDerWaalsContact C-N 3.32Å
97F87.5Confident82.7Confident11 Ų1157.8 Ų57.85%0.04833%0.325CS..EExtended strand (participates in β ladder)trans-143.816617060.1-91.9000110.1Y77 S78 I79 G80 V99 C288 I289Y77-F97 HydrophobicContact CD1-CD1 4.14Å; Y77-F97 AromaticContact CD1-CE1 3.74Å; Y77-F97 HydrophobicContact CD1-CE1 3.74Å; Y77-F97 AromaticContact CD2-CE1 3.75Å; Y77-F97 HydrophobicContact CD2-CE1 3.75Å; Y77-F97 HydrophobicContact CD2-CZ 4.33Å; Y77-F97 HydrophobicContact CE1-CE1 4.22Å; Y77-F97 HydrophobicContact CE2-CE1 4.18Å; Y77-F97 HydrophobicContact CG-CD1 4.31Å; Y77-F97 AromaticContact CG-CE1 3.49Å; Y77-F97 HydrophobicContact CG-CE1 3.49Å; Y77-F97 VanDerWaalsContact CG-CE1 3.49Å; Y77-F97 HydrophobicContact CG-CZ 4.37Å; S78-F97 PolarHBondContact O-N 3.27Å; I79-F97 WeakPolarHBondContact CA-O 3.47Å; I79-F97 HydrophobicContact CD1-CE2 3.85Å; I79-F97 HydrophobicContact CD1-CZ 3.71Å; I79-F97 HydrophobicContact CG1-CD2 4.48Å; I79-F97 HydrophobicContact CG1-CE1 4.27Å; I79-F97 HydrophobicContact CG1-CE2 3.74Å; I79-F97 HydrophobicContact CG1-CZ 3.62Å; I79-F97 HydrophobicContact CG2-CD2 4.48Å; I79-F97 HydrophobicContact CG2-CE2 4.17Å; G80-F97 PolarHBondContact N-O 2.8Å; F97-V99 HydrophobicContact CD2-CG2 3.72Å; F97-V99 HydrophobicContact CE2-CG2 3.52Å; F97-C288 HydrophobicContact CD1-CB 3.67Å; F97-C288 HydrophobicContact CD2-CB 4.38Å; F97-C288 HydrophobicContact CE1-CB 3.4Å; F97-C288 HydrophobicContact CE2-CB 4.18Å; F97-C288 HydrophobicContact CG-CB 4.15Å; F97-C288 HydrophobicContact CZ-CB 3.69Å; F97-I289 HydrophobicContact CZ-CG1 4.18Å
98I87.1Confident82.4Confident24 Ų2467.4 Ų67.412%0.12337%0.367CS..EExtended strand (participates in β ladder)trans-108.8131.7-176.7-66.4146.1000108.5G80 L82 D100G80-I98 VanDerWaalsContact O-CA 3.27Å; G80-I98 WeakPolarHBondContact O-CA 3.49Å; G80-I98 WeakPolarHBondContact O-CG2 3.36Å; L82-I98 WeakPolarHBondContact O-CD1 3.25Å; L82-I98 WeakPolarHBondContact O-CG1 3.33Å; I98-D100 HydrophobicContact CG2-CB 3.81Å
99V87.1Confident82.6Confident48 Ų4867.2 Ų67.229%0.29137%0.365SS..  trans-125.2110.7167.8-177.90000105I79 G80 F97 I282I79-V99 HydrophobicContact CG2-CB 3.74Å; I79-V99 HydrophobicContact CG2-CG2 3.67Å; G80-V99 PolarHBondContact O-N 3.32Å; G80-V99 VanDerWaalsContact O-N 3.09Å; F97-V99 HydrophobicContact CD2-CG2 3.72Å; F97-V99 HydrophobicContact CE2-CG2 3.52Å; V99-I282 HydrophobicContact CG1-CD1 3.6Å
100D75.9Confident82.8Confident22 Ų2263.5 Ų63.512%0.11834%0.342CS..  trans-143.7172.7-170.6-153.2-5.2000111.2L82 I98 E102 L206L82-D100 WeakPolarHBondContact CA-OD2 3.44Å; L82-D100 PolarHBondContact N-OD2 3.4Å; I98-D100 HydrophobicContact CG2-CB 3.81Å; D100-E102 PolarHBondContact O-N 3.27Å; D100-E102 VanDerWaalsContact O-N 3.07Å; D100-L206 VanDerWaalsContact OD1-CD1 3.27Å; D100-L206 WeakPolarHBondContact OD1-CD1 3.37Å; D100-L206 WeakPolarHBondContact OD2-CD1 3.44Å
101Y72Confident82.9Confident84 Ų8464.6 Ų64.633%0.32936%0.36SS..  trans-51.4114.3175-168.2-112.2000110.5P104 K203 E207Y101-P104 VanDerWaalsContact CE1-CD 3.44Å; Y101-P104 HydrophobicContact CE1-CG 3.39Å; Y101-P104 VanDerWaalsContact CZ-CG 3.48Å; Y101-P104 WeakPolarHBondContact OH-CG 3.37Å; Y101-K203 HydrophobicContact CD1-CG 4.23Å; Y101-K203 HydrophobicContact CD2-CD 4.37Å; Y101-K203 HydrophobicContact CD2-CG 4.39Å; Y101-K203 HydrophobicContact CE1-CG 4.37Å; Y101-K203 HydrophobicContact CE2-CD 4.31Å; Y101-K203 VanDerWaalsContact CE2-CE 3.47Å; Y101-K203 HydrophobicContact CG-CG 4.21Å; Y101-K203 VanDerWaalsContact CZ-CE 3.46Å; Y101-E207 HydrophobicContact CD1-CG 4.16Å; Y101-E207 HydrophobicContact CE1-CG 3.57Å; Y101-E207 PolarHBondContact OH-OE1 2.86Å
102E78.7Confident83.1Confident92 Ų9266.9 Ų66.943%0.4337%0.365SS..PPolyproline II helixtrans-68.2135.6171.3-170.6177.8-172.800108.8D100 P104D100-E102 PolarHBondContact O-N 3.27Å; D100-E102 VanDerWaalsContact O-N 3.07Å; E102-P104 WeakPolarHBondContact O-CD 3.29Å
103C82.9Confident83.6Confident36 Ų3663.2 Ų63.224%0.24335%0.347CS..PPolyproline II helixtrans-51.2118.5172.2-64.60000109.3C210C103-C210 WeakPolarHBondContact CA-SG 3.45Å; C103-C210 HydrophobicContact CB-CB 3.56Å; C103-C210 WeakPolarHBondContact CB-SG 3.47Å; C103-C210 VanDerWaalsContact SG-CA 3.58Å; C103-C210 WeakPolarHBondContact SG-CB 3.42Å; C103-C210 CovalentContact SG-SG 2.03Å; C103-C210 PolarHBondContact SG-SG 2.61Å
104P77.5Confident84Confident28 Ų2864.5 Ų64.518%0.18235%0.352CS..PPolyproline II helixtrans-60.3144.1-173.5-25.231.7000111.1Y101 E102 A185 F211Y101-P104 VanDerWaalsContact CE1-CD 3.44Å; Y101-P104 HydrophobicContact CE1-CG 3.39Å; Y101-P104 VanDerWaalsContact CZ-CG 3.48Å; Y101-P104 WeakPolarHBondContact OH-CG 3.37Å; E102-P104 WeakPolarHBondContact O-CD 3.29Å; P104-A185 HydrophobicContact CB-CB 4.39Å; P104-A185 HydrophobicContact CG-CB 4.38Å; P104-F211 HydrophobicContact CB-CZ 3.84Å; P104-F211 VanDerWaalsContact CD-CZ 3.43Å; P104-F211 HydrophobicContact CG-CE2 4.22Å; P104-F211 HydrophobicContact CG-CZ 3.76Å
105K80.1Confident84.4Confident177 Ų17765.4 Ų65.477%0.7735%0.353SS*.PPolyproline II helixtrans-58.1146.9172.7-67.9-174.1-179.4-179.30109.9A107 Q189K105-A107 PolarHBondContact O-N 3.4Å; K105-Q189 PolarHBondContact O-NE2 3.01Å
106P72.3Confident84.8Confident123 Ų12366.7 Ų66.780%0.79936%0.359SS*.PPolyproline II helixtrans-52.2125.3175.4-29.336.1000112
107A77.9Confident85.2Confident52 Ų5266.1 Ų66.143%0.4336%0.355SS..  trans-116.6130.4177.200000108.8K105 L109 A186K105-A107 PolarHBondContact O-N 3.4Å; A107-L109 PolarHBondContact O-N 2.89Å; A107-A186 HydrophobicContact CB-CB 4.3Å
108K82.6Confident85.6Confident208 Ų20870.3 Ų70.390%0.90438%0.375SS*.PPolyproline II helixtrans-66.5132.3175.7-72.6-173.7178.4-177.40109.5
109L90.1Very high86Confident18 Ų1870.5 Ų70.59%0.09438%0.376CS..PPolyproline II helixtrans-64.6139171.6-167.564.9000109.2A107 Y113 I114 V117 P183 A186 I187A107-L109 PolarHBondContact O-N 2.89Å; L109-Y113 HydrophobicContact CD1-CD2 4.36Å; L109-Y113 HydrophobicContact CD1-CG 4.12Å; L109-I114 HydrophobicContact CB-CG1 4.05Å; L109-I114 HydrophobicContact CD2-CG1 4.17Å; L109-I114 HydrophobicContact CG-CG1 4.2Å; L109-I114 WeakPolarHBondContact O-CD1 3.46Å; L109-V117 HydrophobicContact CD2-CB 3.95Å; L109-V117 HydrophobicContact CD2-CG1 4.24Å; L109-V117 HydrophobicContact CD2-CG2 3.81Å; L109-P183 HydrophobicContact CD1-CG 4.33Å; L109-A186 HydrophobicContact CD1-CB 4.03Å; L109-I187 HydrophobicContact CD1-CG1 3.8Å
110S89.5Confident86.4Confident57 Ų5773.8 Ų73.840%0.39940%0.399SS..PPolyproline II helixtrans-71.5155.4177.866.50000110.9E112 Y113 I114S110-E112 PolarHBondContact O-N 3.23Å; S110-E112 VanDerWaalsContact O-N 3.08Å; S110-Y113 PolarHBondContact O-N 3.42Å; S110-Y113 WeakPolarHBondContact OG-CD2 3.28Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.35Å; S110-I114 VanDerWaalsContact O-N 3.09Å
111G87.1Confident87.3Confident52 Ų5280 Ų8054%0.53643%0.431SS..Hα-helixtrans-55-29.5-178.400000114.2Y113G111-Y113 VanDerWaalsContact C-N 3.33Å; G111-Y113 PolarHBondContact O-N 3.06Å
112E87.2Confident88.5Confident121 Ų12176.4 Ų76.457%0.56542%0.418SS*.Hα-helixtrans-60.8-39.2176.2-171.5-172.9163.500112.9S110 K177S110-E112 PolarHBondContact O-N 3.23Å; S110-E112 VanDerWaalsContact O-N 3.08Å; E112-K177 IonicContact OE1-NZ 3.99Å; E112-K177 PolarHBondContact OE1-NZ 3.28Å
113Y93.8Very high89.4Confident14 Ų1478.2 Ų78.26%0.05542%0.424CS..Hα-helixtrans-90.9-27.6179.7-67.9-86.3000112.8L109 S110 G111 N115 F116 V117 I160 K177 E179 P183 I187L109-Y113 HydrophobicContact CD1-CD2 4.36Å; L109-Y113 HydrophobicContact CD1-CG 4.12Å; S110-Y113 PolarHBondContact O-N 3.42Å; S110-Y113 WeakPolarHBondContact OG-CD2 3.28Å; G111-Y113 VanDerWaalsContact C-N 3.33Å; G111-Y113 PolarHBondContact O-N 3.06Å; Y113-N115 PolarHBondContact O-N 3.48Å; Y113-F116 PolarHBondContact O-N 3.07Å; Y113-F116 VanDerWaalsContact O-N 3.09Å; Y113-V117 WeakPolarHBondContact O-CB 3.4Å; Y113-V117 WeakPolarHBondContact O-CG2 3.3Å; Y113-V117 PolarHBondContact O-N 3.21Å; Y113-I160 HydrophobicContact CD1-CD1 3.92Å; Y113-I160 HydrophobicContact CE1-CD1 4.35Å; Y113-K177 HydrophobicContact CD1-CD 4.29Å; Y113-K177 HydrophobicContact CE1-CD 4.21Å; Y113-E179 WeakPolarHBondContact CE1-OE2 3.48Å; Y113-E179 VanDerWaalsContact OH-CD 3.31Å; Y113-E179 PolarHBondContact OH-OE2 2.71Å; Y113-P183 HydrophobicContact CD2-CG 3.84Å; Y113-P183 HydrophobicContact CE1-CG 4.46Å; Y113-P183 VanDerWaalsContact CE2-CD 3.45Å; Y113-P183 HydrophobicContact CE2-CG 3.49Å; Y113-P183 VanDerWaalsContact CE2-CG 3.49Å; Y113-P183 HydrophobicContact CG-CG 4.47Å; Y113-P183 WeakPolarHBondContact OH-CD 3.39Å; Y113-I187 HydrophobicContact CD1-CD1 4.28Å; Y113-I187 HydrophobicContact CE1-CD1 4.25Å
114I94.3Very high90.1Very high55 Ų5576.5 Ų76.528%0.28241%0.413SS..Hα-helixtrans-52.7-54.5-177.4-74.8172.6000110.8L109 S110 F116 V117 E118L109-I114 HydrophobicContact CB-CG1 4.05Å; L109-I114 HydrophobicContact CD2-CG1 4.17Å; L109-I114 HydrophobicContact CG-CG1 4.2Å; L109-I114 WeakPolarHBondContact O-CD1 3.46Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.35Å; S110-I114 VanDerWaalsContact O-N 3.09Å; I114-F116 PolarHBondContact O-N 3.45Å; I114-V117 PolarHBondContact O-N 3.22Å; I114-E118 HydrophobicContact CG2-CG 4.35Å; I114-E118 WeakPolarHBondContact CG2-OE2 3.27Å; I114-E118 VanDerWaalsContact O-CB 3.3Å; I114-E118 WeakPolarHBondContact O-CB 3.33Å; I114-E118 PolarHBondContact O-N 3.03Å
115N94.1Very high91Very high134 Ų13475.2 Ų75.272%0.71741%0.405SS*.Hα-helixtrans-60.7-33.2-178.1-68.9-19.1000112.7Y113Y113-N115 PolarHBondContact O-N 3.48Å
116F95.9Very high91.9Very high31 Ų3166.8 Ų66.814%0.13637%0.368CS..Hα-helixtrans-75.2-42.5178.4-173.3-94.6000111.9Y113 I114 R158 I159 I160 H175 K177Y113-F116 PolarHBondContact O-N 3.07Å; Y113-F116 VanDerWaalsContact O-N 3.09Å; I114-F116 PolarHBondContact O-N 3.45Å; F116-R158 HydrophobicContact CD1-CB 4.05Å; F116-R158 HydrophobicContact CE1-CB 3.64Å; F116-R158 HydrophobicContact CE1-CG 4.49Å; F116-R158 HydrophobicContact CZ-CB 4.03Å; F116-R158 WeakPolarHBondContact O-CD 3.38Å; F116-R158 WeakPolarHBondContact O-CG 3.49Å; F116-I159 WeakPolarHBondContact CZ-O 3.31Å; F116-I160 HydrophobicContact CD1-CD1 4.27Å; F116-I160 HydrophobicContact CD1-CG1 3.97Å; F116-I160 HydrophobicContact CE1-CD1 4.44Å; F116-I160 HydrophobicContact CE1-CG1 3.67Å; F116-H175 WeakPolarHBondContact CZ-O 3.48Å; F116-K177 HydrophobicContact CD1-CB 4.35Å; F116-K177 HydrophobicContact CD2-CB 4.34Å; F116-K177 HydrophobicContact CE1-CB 3.87Å; F116-K177 HydrophobicContact CE2-CB 3.87Å; F116-K177 HydrophobicContact CG-CD 4.36Å; F116-K177 HydrophobicContact CZ-CB 3.6Å
117V96.7Very high93.1Very high1 Ų160.9 Ų60.91%0.00633%0.33CS..Hα-helixtrans-76.4-34.2-176.3170.60000112.2L109 Y113 I114 T125 I160 H190 K192L109-V117 HydrophobicContact CD2-CB 3.95Å; L109-V117 HydrophobicContact CD2-CG1 4.24Å; L109-V117 HydrophobicContact CD2-CG2 3.81Å; Y113-V117 WeakPolarHBondContact O-CB 3.4Å; Y113-V117 WeakPolarHBondContact O-CG2 3.3Å; Y113-V117 PolarHBondContact O-N 3.21Å; I114-V117 PolarHBondContact O-N 3.22Å; V117-T125 WeakPolarHBondContact CA-OG1 3.46Å; V117-T125 HydrophobicContact CG2-CG2 4.13Å; V117-T125 PolarHBondContact O-OG1 2.87Å; V117-I160 HydrophobicContact CG2-CD1 3.96Å; V117-H190 HydrophobicContact CG1-CB 4.21Å; V117-H190 VanDerWaalsContact CG1-ND1 3.3Å; V117-H190 WeakPolarHBondContact CG1-ND1 3.45Å; V117-K192 HydrophobicContact CG1-CB 4.31Å
118E95.2Very high94.1Very high99 Ų9958.5 Ų58.546%0.46331%0.31SS..THydrogen-bonded Turntrans-94.711.1-177.1-63.6-169.2155.400114I114 P120 H190I114-E118 HydrophobicContact CG2-CG 4.35Å; I114-E118 WeakPolarHBondContact CG2-OE2 3.27Å; I114-E118 VanDerWaalsContact O-CB 3.3Å; I114-E118 WeakPolarHBondContact O-CB 3.33Å; I114-E118 PolarHBondContact O-N 3.03Å; E118-P120 WeakPolarHBondContact O-CD 3.4Å; E118-H190 IonicContact OE1-CE1 2.76Å; E118-H190 IonicContact OE1-NE2 2.63Å; E118-H190 PolarHBondContact OE1-NE2 3.12Å
119D95.7Very high94.7Very high29 Ų2948.7 Ų48.716%0.15527%0.267CS..  trans-49.7118.4178.4-174.8-30.4000110.9L121 S122 R158D119-L121 PolarHBondContact O-N 3.21Å; D119-L121 WeakPolarHBondContact OD1-CB 3.09Å; D119-L121 PolarHBondContact OD1-N 3.41Å; D119-S122 VanDerWaalsContact O-CB 3.27Å; D119-S122 WeakPolarHBondContact O-CB 3.47Å; D119-S122 PolarHBondContact O-N 3.39Å; D119-R158 HydrophobicContact CB-CG 4.17Å; D119-R158 IonicContact OD2-CZ 2.9Å; D119-R158 IonicContact OD2-NE 2.87Å; D119-R158 PolarHBondContact OD2-NE 3.2Å; D119-R158 IonicContact OD2-NH1 3.9Å; D119-R158 IonicContact OD2-NH2 2.6Å; D119-R158 PolarHBondContact OD2-NH2 3.15Å
120P95.1Very high94.8Very high117 Ų11748.7 Ų48.776%0.7627%0.267SS*.THydrogen-bonded Turntrans-66.2-20.9-174.526.7-35.3000113.5E118 S122E118-P120 WeakPolarHBondContact O-CD 3.4Å; P120-S122 VanDerWaalsContact C-N 3.3Å
121L95.5Very high94.5Very high152 Ų15247.4 Ų47.480%0.79626%0.26SS*.THydrogen-bonded Turntrans-81.4-12.2175.8-57.6178000112.4D119D119-L121 PolarHBondContact O-N 3.21Å; D119-L121 WeakPolarHBondContact OD1-CB 3.09Å; D119-L121 PolarHBondContact OD1-N 3.41Å
122S96.8Very high94.1Very high9 Ų952.4 Ų52.46%0.06327%0.269CS..  trans-85.2138.5-179-175.70000112.3D119 P120 G124 R158D119-S122 VanDerWaalsContact O-CB 3.27Å; D119-S122 WeakPolarHBondContact O-CB 3.47Å; D119-S122 PolarHBondContact O-N 3.39Å; P120-S122 VanDerWaalsContact C-N 3.3Å; S122-G124 PolarHBondContact O-N 3.09Å; S122-G124 PolarHBondContact OG-N 3.29Å; S122-G124 PolarHBondContact OG-O 3.44Å; S122-R158 PolarHBondContact OG-N 3.13Å
123K96.8Very high93.5Very high129 Ų12953.6 Ų53.656%0.56127%0.272SS*.SBendtrans-68.7-20.3167.5-69.3-170.7-179.5-177.30112.5Q156 Y157 E259K123-Q156 WeakPolarHBondContact CB-O 3.41Å; K123-Q156 HydrophobicContact CD-CB 4.18Å; K123-Q156 HydrophobicContact CD-CG 3.85Å; K123-Q156 HydrophobicContact CG-CB 4.26Å; K123-Q156 HydrophobicContact CG-CG 4.39Å; K123-Q156 PolarHBondContact N-O 3.09Å; K123-Y157 HydrophobicContact CB-CD1 3.89Å; K123-Y157 HydrophobicContact CB-CE1 3.5Å; K123-Y157 VanDerWaalsContact CB-CE1 3.5Å; K123-Y157 HydrophobicContact CD-CE1 4.45Å; K123-E259 IonicContact NZ-OE1 3.75Å; K123-E259 PolarHBondContact NZ-OE1 3.36Å
124G97.4Very high92.8Very high1 Ų154.1 Ų54.11%0.0128%0.279CS..  trans159.9177-179.400000112.9S122 Y157 R158 K192S122-G124 PolarHBondContact O-N 3.09Å; S122-G124 PolarHBondContact OG-N 3.29Å; S122-G124 PolarHBondContact OG-O 3.44Å; G124-Y157 WeakPolarHBondContact O-CA 3.35Å; G124-R158 PolarHBondContact O-N 3.49Å; G124-K192 CarbonylContact C-O 3.57Å; G124-K192 VanDerWaalsContact CA-O 3.29Å; G124-K192 WeakPolarHBondContact CA-O 3.38Å
125T98Very high92.4Very high0 Ų055.1 Ų55.10%029%0.285CS..EExtended strand (participates in β ladder)trans-103.4136.7176.9-65.30000110.8V117 R158 I160 I187 K192 T193 A194V117-T125 WeakPolarHBondContact CA-OG1 3.46Å; V117-T125 HydrophobicContact CG2-CG2 4.13Å; V117-T125 PolarHBondContact O-OG1 2.87Å; T125-R158 CarbonylContact C-O 3.48Å; T125-R158 VanDerWaalsContact CA-O 3.25Å; T125-R158 WeakPolarHBondContact CA-O 3.41Å; T125-I160 HydrophobicContact CG2-CD1 4.06Å; T125-I160 HydrophobicContact CG2-CG1 4.29Å; T125-I187 HydrophobicContact CG2-CG2 4.43Å; T125-K192 PolarHBondContact N-O 3.3Å; T125-T193 CarbonylContact O-C 3.51Å; T125-T193 WeakPolarHBondContact O-CA 3.44Å; T125-A194 PolarHBondContact O-N 3.13Å
126M98.1Very high92.2Very high0 Ų049.5 Ų49.50%025%0.254CS..EExtended strand (participates in β ladder)trans-114.1140.2170.5-59.9171.8167.700108.1L154 Y157 R158 I159 I160 V195 I254 A258M126-L154 HydrophobicContact SD-CD1 4.21Å; M126-Y157 HydrophobicContact CE-CD1 3.57Å; M126-Y157 HydrophobicContact CE-CD2 3.33Å; M126-Y157 HydrophobicContact CE-CE1 3.68Å; M126-Y157 HydrophobicContact CE-CE2 3.45Å; M126-Y157 VanDerWaalsContact CE-CE2 3.45Å; M126-Y157 HydrophobicContact CE-CG 3.4Å; M126-Y157 VanDerWaalsContact CE-CG 3.4Å; M126-Y157 HydrophobicContact CG-CD1 4.42Å; M126-Y157 HydrophobicContact CG-CG 4.38Å; M126-Y157 HydrophobicContact SD-CD1 4.34Å; M126-Y157 HydrophobicContact SD-CD2 4.02Å; M126-Y157 HydrophobicContact SD-CG 3.84Å; M126-R158 PolarHBondContact N-O 2.72Å; M126-I159 HydrophobicContact CB-CG1 4.41Å; M126-I159 CarbonylContact O-C 3.48Å; M126-I159 WeakPolarHBondContact O-CA 3.19Å; M126-I160 PolarHBondContact O-N 3.23Å; M126-V195 WeakPolarHBondContact CA-O 3.4Å; M126-V195 HydrophobicContact CE-CG2 4.34Å; M126-V195 HydrophobicContact CG-CB 4.19Å; M126-I254 HydrophobicContact CE-CG2 3.29Å; M126-I254 HydrophobicContact SD-CG2 3.35Å; M126-I254 WeakPolarHBondContact SD-CG2 3.5Å; M126-A258 HydrophobicContact CE-CB 3.79Å
127I97.8Very high91.8Very high0 Ų053.8 Ų53.80%027%0.273CS..EExtended strand (participates in β ladder)trans-123.6131.4175.9178.3157.4000109.9I160 V182 L184 I187 L188 T193 V195 F196 I197I127-I160 CarbonylContact C-O 3.36Å; I127-I160 VanDerWaalsContact CA-O 3.28Å; I127-I160 WeakPolarHBondContact CA-O 2.97Å; I127-I160 HydrophobicContact CB-CB 4.44Å; I127-I160 HydrophobicContact CD1-CB 4.45Å; I127-I160 HydrophobicContact CD1-CG2 4.21Å; I127-I160 HydrophobicContact CG1-CB 4.34Å; I127-I160 HydrophobicContact CG1-CG2 4.43Å; I127-V182 HydrophobicContact CD1-CB 4.42Å; I127-V182 HydrophobicContact CD1-CG2 3.9Å; I127-L184 HydrophobicContact CD1-CD1 3.57Å; I127-L184 HydrophobicContact CG1-CD1 4.16Å; I127-L184 HydrophobicContact CG2-CD1 4.5Å; I127-I187 HydrophobicContact CB-CG2 4.17Å; I127-I187 HydrophobicContact CD1-CB 4.13Å; I127-I187 HydrophobicContact CD1-CD1 3.69Å; I127-I187 HydrophobicContact CD1-CG2 3.86Å; I127-I187 HydrophobicContact CG2-CG2 4.2Å; I127-L188 HydrophobicContact CG2-CD2 3.74Å; I127-T193 HydrophobicContact CG2-CG2 4.34Å; I127-V195 PolarHBondContact N-O 3.39Å; I127-F196 HydrophobicContact CG2-CB 4.34Å; I127-F196 HydrophobicContact CG2-CD2 3.85Å; I127-F196 HydrophobicContact CG2-CG 4.36Å; I127-F196 CarbonylContact O-C 3.5Å; I127-I197 PolarHBondContact O-N 2.79Å
128L97.5Very high91.5Very high2 Ų257.9 Ų57.91%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-105120.8165.8-170.5153.9000109.1F130 W136 V147 F151 I160 W161 Q162 I197L128-F130 HydrophobicContact CD2-CD1 4.2Å; L128-F130 HydrophobicContact CD2-CE1 4.18Å; L128-F130 HydrophobicContact CG-CE1 4.35Å; L128-W136 HydrophobicContact CD1-CZ2 4.46Å; L128-W136 HydrophobicContact CD2-CH2 4.4Å; L128-W136 HydrophobicContact CD2-CZ2 3.49Å; L128-W136 VanDerWaalsContact CD2-CZ2 3.49Å; L128-V147 HydrophobicContact CD1-CG1 4Å; L128-F151 HydrophobicContact CB-CE2 4.25Å; L128-F151 HydrophobicContact CB-CZ 3.88Å; L128-F151 HydrophobicContact CD1-CE2 4.15Å; L128-F151 HydrophobicContact CD1-CZ 3.58Å; L128-F151 HydrophobicContact CG-CZ 4.35Å; L128-I160 PolarHBondContact N-O 2.98Å; L128-W161 VanDerWaalsContact CD2-CD1 3.46Å; L128-Q162 WeakPolarHBondContact O-CB 3.32Å; L128-Q162 PolarHBondContact O-N 2.96Å; L128-I197 VanDerWaalsContact CA-O 3.3Å; L128-I197 WeakPolarHBondContact CA-O 3.32Å; L128-I197 HydrophobicContact CB-CB 4.07Å; L128-I197 HydrophobicContact CB-CD1 4.3Å; L128-I197 HydrophobicContact CD1-CB 4.16Å; L128-I197 HydrophobicContact CD1-CG2 3.66Å; L128-I197 HydrophobicContact CG-CB 4.01Å; L128-I197 HydrophobicContact CG-CG2 3.93Å
129S96.1Very high91.2Very high1 Ų154.9 Ų54.91%0.00730%0.298CS..  trans-149.7126.8173.1165.30000111.2A131 Q162 I197 T198S129-A131 PolarHBondContact OG-N 3.4Å; S129-Q162 PolarHBondContact OG-OE1 3.2Å; S129-I197 PolarHBondContact N-O 3.26Å; S129-T198 VanDerWaalsContact O-CB 3.28Å; S129-T198 WeakPolarHBondContact O-CB 3.3Å; S129-T198 PolarHBondContact O-OG1 3.2Å
130F93.1Very high90.9Very high19 Ų1959.1 Ų59.18%0.08332%0.321CS..  trans-103.222.9174.7-70.99.2000111.7L128 F133 A134 W136 H199 V218 V220L128-F130 HydrophobicContact CD2-CD1 4.2Å; L128-F130 HydrophobicContact CD2-CE1 4.18Å; L128-F130 HydrophobicContact CG-CE1 4.35Å; F130-F133 PolarHBondContact O-N 2.82Å; F130-A134 HydrophobicContact CB-CB 3.51Å; F130-A134 HydrophobicContact CD2-CB 3.5Å; F130-A134 VanDerWaalsContact CD2-CB 3.5Å; F130-A134 HydrophobicContact CG-CB 4.01Å; F130-W136 HydrophobicContact CE2-CZ2 4.47Å; F130-H199 VanDerWaalsContact C-CE1 3.48Å; F130-H199 WeakPolarHBondContact CA-ND1 3.16Å; F130-H199 HydrophobicContact CD1-CB 4.2Å; F130-H199 VanDerWaalsContact CD1-N 3.34Å; F130-H199 HydrophobicContact CD2-CB 4.4Å; F130-H199 HydrophobicContact CG-CB 4.12Å; F130-H199 PolarHBondContact O-CE1 2.92Å; F130-V218 HydrophobicContact CE1-CB 4.48Å; F130-V218 HydrophobicContact CZ-CB 3.87Å; F130-V218 HydrophobicContact CZ-CG1 4.27Å; F130-V220 HydrophobicContact CD2-CG2 4.21Å; F130-V220 HydrophobicContact CE2-CG2 4.13Å
131A83.5Confident90.7Very high30 Ų3058.3 Ų58.325%0.24831%0.313CS..THydrogen-bonded Turntrans50.1-142.3-176.200000111.9S129S129-A131 PolarHBondContact OG-N 3.4Å
132H77.7Confident90.5Very high157 Ų15754.2 Ų54.273%0.72730%0.301SS*.THydrogen-bonded Turntrans-88.3-4-176.5-60.274.1000113.4W181H132-W181 AromaticContact CE1-CH2 3.49Å; H132-W181 VanDerWaalsContact CE1-CH2 3.49Å; H132-W181 WeakPolarHBondContact CE1-CH2 3.08Å; H132-W181 AromaticContact CE1-CZ3 3.34Å; H132-W181 WeakPolarHBondContact CE1-CZ3 3.24Å; H132-W181 AromaticContact NE2-CH2 3.75Å; H132-W181 AromaticContact NE2-CZ3 3.36Å; H132-W181 WeakPolarHBondContact NE2-CZ3 2.99Å
133F74.9Confident90.3Very high145 Ų14555.3 Ų55.364%0.63631%0.308SS*.THydrogen-bonded Turntrans-91.2-33.8-167.5-93.9-70.1000114.2F130 F221F130-F133 PolarHBondContact O-N 2.82Å; F133-F221 HydrophobicContact CB-CZ 4.48Å; F133-F221 HydrophobicContact CD1-CE2 4.5Å; F133-F221 AromaticContact CD1-CZ 3.7Å; F133-F221 HydrophobicContact CD1-CZ 3.7Å; F133-F221 HydrophobicContact CE1-CZ 4.26Å; F133-F221 HydrophobicContact CG-CZ 4.33Å
134A78.1Confident90.2Very high25 Ų2549.5 Ų49.521%0.20728%0.283CS..  trans-99.9111.4179.500000110F130F130-A134 HydrophobicContact CB-CB 3.51Å; F130-A134 HydrophobicContact CD2-CB 3.5Å; F130-A134 VanDerWaalsContact CD2-CB 3.5Å; F130-A134 HydrophobicContact CG-CB 4.01Å
135D85.8Confident90Very high76 Ų7654.7 Ų54.741%0.40631%0.307SS..  trans-82.1117.1170.3-169-9000109.4K137 A138 N164D135-K137 PolarHBondContact O-N 2.96Å; D135-K137 VanDerWaalsContact OD1-CB 3.3Å; D135-K137 WeakPolarHBondContact OD1-CB 3.27Å; D135-K137 WeakPolarHBondContact OD1-CG 3.47Å; D135-K137 PolarHBondContact OD1-N 2.97Å; D135-A138 PolarHBondContact O-N 2.84Å; D135-N164 PolarHBondContact OD1-ND2 2.77Å; D135-N164 PolarHBondContact OD1-OD1 2.91Å
136W90.2Very high89.9Confident17 Ų1755.3 Ų55.36%0.06431%0.312CS..G310 helixtrans-64.5-20.1177.2-76.196.6000112.8L128 F130 A138 A139 V144 V147 W161 Q162 F163 N164 E165L128-W136 HydrophobicContact CD1-CZ2 4.46Å; L128-W136 HydrophobicContact CD2-CH2 4.4Å; L128-W136 HydrophobicContact CD2-CZ2 3.49Å; L128-W136 VanDerWaalsContact CD2-CZ2 3.49Å; F130-W136 HydrophobicContact CE2-CZ2 4.47Å; W136-A138 PolarHBondContact O-N 3.4Å; W136-A139 HydrophobicContact CE3-CB 3.95Å; W136-A139 HydrophobicContact CZ3-CB 4.43Å; W136-A139 VanDerWaalsContact O-CB 3.31Å; W136-A139 WeakPolarHBondContact O-CB 3.2Å; W136-A139 PolarHBondContact O-N 3.14Å; W136-A139 VanDerWaalsContact O-N 3.13Å; W136-V144 HydrophobicContact CE3-CG2 3.95Å; W136-V144 HydrophobicContact CZ3-CG2 4.21Å; W136-V147 HydrophobicContact CH2-CG2 4.13Å; W136-V147 HydrophobicContact CZ3-CG2 4.49Å; W136-W161 HydrophobicContact CD2-CZ2 4.4Å; W136-W161 AromaticContact CE2-NE1 3.41Å; W136-W161 HydrophobicContact CE3-CZ2 4.17Å; W136-W161 AromaticContact CH2-CZ2 3.91Å; W136-W161 HydrophobicContact CH2-CZ2 3.91Å; W136-W161 AromaticContact CH2-NE1 3.94Å; W136-W161 HydrophobicContact CZ2-CZ2 4.16Å; W136-W161 AromaticContact CZ2-NE1 3.33Å; W136-W161 VanDerWaalsContact CZ2-NE1 3.33Å; W136-W161 AromaticContact CZ3-CZ2 3.9Å; W136-W161 HydrophobicContact CZ3-CZ2 3.9Å; W136-W161 AromaticContact NE1-NE1 3.68Å; W136-Q162 PolarHBondContact NE1-O 2.93Å; W136-F163 HydrophobicContact CB-CD2 3.65Å; W136-F163 HydrophobicContact CB-CE2 3.59Å; W136-F163 HydrophobicContact CB-CG 4.49Å; W136-F163 HydrophobicContact CB-CZ 4.42Å; W136-F163 AromaticContact CD1-CD2 3.75Å; W136-F163 AromaticContact CD2-CD2 3.53Å; W136-F163 HydrophobicContact CD2-CD2 3.53Å; W136-F163 AromaticContact CD2-CE2 3.79Å; W136-F163 HydrophobicContact CD2-CE2 3.79Å; W136-F163 HydrophobicContact CE3-CD2 4.03Å; W136-F163 AromaticContact CE3-CE2 3.86Å; W136-F163 HydrophobicContact CE3-CE2 3.86Å; W136-F163 AromaticContact CG-CD2 3.34Å; W136-F163 HydrophobicContact CG-CD2 3.34Å; W136-F163 AromaticContact CG-CE2 3.7Å; W136-F163 HydrophobicContact CG-CE2 3.7Å; W136-F163 HydrophobicContact CG-CG 4.29Å; W136-N164 WeakPolarHBondContact CB-OD1 3.23Å; W136-N164 PolarHBondContact N-OD1 3.24Å; W136-E165 HydrophobicContact CB-CB 4.19Å
137K88.5Confident89.8Confident121 Ų12155.3 Ų55.353%0.52631%0.312SS..G310 helixtrans-65.5-26.7173.5-52.4-173.4175.7-179.20113.1D135 N164 E165D135-K137 PolarHBondContact O-N 2.96Å; D135-K137 VanDerWaalsContact OD1-CB 3.3Å; D135-K137 WeakPolarHBondContact OD1-CB 3.27Å; D135-K137 WeakPolarHBondContact OD1-CG 3.47Å; D135-K137 PolarHBondContact OD1-N 2.97Å; K137-N164 WeakPolarHBondContact CE-O 3.14Å; K137-E165 WeakPolarHBondContact CA-OE2 3.38Å; K137-E165 WeakPolarHBondContact CB-OE2 3.38Å; K137-E165 HydrophobicContact CG-CB 3.98Å; K137-E165 HydrophobicContact CG-CG 4.36Å; K137-E165 WeakPolarHBondContact CG-OE2 3.49Å
138A89.1Confident89.7Confident87 Ų8755.7 Ų55.772%0.71931%0.314SS*.G310 helixtrans-91.3-3.5176.400000112.9D135 W136D135-A138 PolarHBondContact O-N 2.84Å; W136-A138 PolarHBondContact O-N 3.4Å
139A89.6Confident89.6Confident35 Ų3557.8 Ų57.829%0.28933%0.329SS..SBendtrans-74.7148.1179.300000111.1W136 V141 V144W136-A139 HydrophobicContact CE3-CB 3.95Å; W136-A139 HydrophobicContact CZ3-CB 4.43Å; W136-A139 VanDerWaalsContact O-CB 3.31Å; W136-A139 WeakPolarHBondContact O-CB 3.2Å; W136-A139 PolarHBondContact O-N 3.14Å; W136-A139 VanDerWaalsContact O-N 3.13Å; A139-V141 PolarHBondContact O-N 3.26Å; A139-V144 HydrophobicContact CB-CG2 4.02Å
140L90Very high89.7Confident119 Ų11957.7 Ų57.762%0.62333%0.329SS*.  trans-64.6137.6172-64174.8000109.8A142 T143 V144L140-A142 PolarHBondContact O-N 3.49Å; L140-A142 VanDerWaalsContact O-N 3.15Å; L140-T143 WeakPolarHBondContact O-CA 3.16Å; L140-T143 VanDerWaalsContact O-CB 3.29Å; L140-T143 WeakPolarHBondContact O-CB 3.45Å; L140-T143 PolarHBondContact O-N 3.34Å; L140-V144 PolarHBondContact O-N 3.12Å; L140-V144 VanDerWaalsContact O-N 3.16Å
141V90.4Very high89.9Confident99 Ų9956.9 Ų56.960%0.633%0.325SS*.Hα-helixtrans-52-40.7176.8175.50000111.4A139 T143 V144 Q145A139-V141 PolarHBondContact O-N 3.26Å; V141-T143 VanDerWaalsContact C-N 3.29Å; V141-T143 PolarHBondContact O-N 3.46Å; V141-V144 PolarHBondContact O-N 2.87Å; V141-Q145 HydrophobicContact CG1-CG 4.2Å; V141-Q145 WeakPolarHBondContact O-CB 3.22Å; V141-Q145 WeakPolarHBondContact O-CG 2.96Å; V141-Q145 PolarHBondContact O-N 3.39Å
142A91.6Very high90.5Very high66 Ų6655.8 Ų55.855%0.54532%0.317SS..Hα-helixtrans-59.5-37.7176.800000112.9L140 A146L140-A142 PolarHBondContact O-N 3.49Å; L140-A142 VanDerWaalsContact O-N 3.15Å; A142-A146 VanDerWaalsContact O-CB 3.28Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.23Å
143T93.1Very high91.4Very high32 Ų3252 Ų5220%0.19630%0.302CS..Hα-helixtrans-67.6-44.4176.2-55.70000110.8L140 V141 Q145 A146 V147 L245L140-T143 WeakPolarHBondContact O-CA 3.16Å; L140-T143 VanDerWaalsContact O-CB 3.29Å; L140-T143 WeakPolarHBondContact O-CB 3.45Å; L140-T143 PolarHBondContact O-N 3.34Å; V141-T143 VanDerWaalsContact C-N 3.29Å; V141-T143 PolarHBondContact O-N 3.46Å; T143-Q145 PolarHBondContact O-N 3.26Å; T143-A146 PolarHBondContact O-N 2.78Å; T143-V147 VanDerWaalsContact O-CG2 3.3Å; T143-V147 WeakPolarHBondContact O-CG2 3.33Å; T143-V147 PolarHBondContact O-N 3.43Å; T143-L245 HydrophobicContact CG2-CD2 4.01Å
144V94Very high92.4Very high7 Ų745.1 Ų45.14%0.04227%0.271CS..Hα-helixtrans-62.8-43.6177.7-175.80000111W136 A139 L140 V141 V147 S148 W161 F163 V169 V170W136-V144 HydrophobicContact CE3-CG2 3.95Å; W136-V144 HydrophobicContact CZ3-CG2 4.21Å; A139-V144 HydrophobicContact CB-CG2 4.02Å; L140-V144 PolarHBondContact O-N 3.12Å; L140-V144 VanDerWaalsContact O-N 3.16Å; V141-V144 PolarHBondContact O-N 2.87Å; V144-V147 PolarHBondContact O-N 2.87Å; V144-S148 WeakPolarHBondContact O-CB 3.17Å; V144-S148 PolarHBondContact O-N 3.02Å; V144-W161 HydrophobicContact CG1-CH2 4.1Å; V144-F163 HydrophobicContact CG1-CE2 3.93Å; V144-F163 HydrophobicContact CG1-CZ 4.04Å; V144-V169 HydrophobicContact CG1-CG2 3.77Å; V144-V170 HydrophobicContact CG1-CG1 3.71Å
145Q93.6Very high93.3Very high111 Ų11150 Ų5052%0.51929%0.29SS..Hα-helixtrans-64.4-40.4176.1-73.2175.7-1800112.4V141 T143 S149V141-Q145 HydrophobicContact CG1-CG 4.2Å; V141-Q145 WeakPolarHBondContact O-CB 3.22Å; V141-Q145 WeakPolarHBondContact O-CG 2.96Å; V141-Q145 PolarHBondContact O-N 3.39Å; T143-Q145 PolarHBondContact O-N 3.26Å; Q145-S149 WeakPolarHBondContact O-CB 3.49Å; Q145-S149 PolarHBondContact O-N 3.48Å; Q145-S149 PolarHBondContact O-OG 2.85Å
146A94.8Very high93.9Very high12 Ų1249.3 Ų49.310%0.09928%0.284CS..Hα-helixtrans-61.7-47.1175.700000111.5A142 T143 S149 A150A142-A146 VanDerWaalsContact O-CB 3.28Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.23Å; T143-A146 PolarHBondContact O-N 2.78Å; A146-S149 PolarHBondContact O-N 3.46Å; A146-A150 WeakPolarHBondContact O-CB 3.48Å; A146-A150 PolarHBondContact O-N 3.21Å
147V96Very high94.2Very high1 Ų148.9 Ų48.91%0.00628%0.283CS..Hα-helixtrans-63.2-50177.3175.60000111L128 W136 T143 V144 S149 A150 F151 W161 L245 L250L128-V147 HydrophobicContact CD1-CG1 4Å; W136-V147 HydrophobicContact CH2-CG2 4.13Å; W136-V147 HydrophobicContact CZ3-CG2 4.49Å; T143-V147 VanDerWaalsContact O-CG2 3.3Å; T143-V147 WeakPolarHBondContact O-CG2 3.33Å; T143-V147 PolarHBondContact O-N 3.43Å; V144-V147 PolarHBondContact O-N 2.87Å; V147-S149 VanDerWaalsContact C-N 3.32Å; V147-S149 PolarHBondContact O-N 2.98Å; V147-A150 PolarHBondContact O-N 3.37Å; V147-F151 HydrophobicContact CG1-CD2 3.93Å; V147-F151 HydrophobicContact CG1-CE1 4.28Å; V147-F151 HydrophobicContact CG1-CE2 3.49Å; V147-F151 VanDerWaalsContact CG1-CE2 3.49Å; V147-F151 HydrophobicContact CG1-CZ 3.7Å; V147-F151 WeakPolarHBondContact O-CG 3.43Å; V147-F151 PolarHBondContact O-N 2.87Å; V147-W161 HydrophobicContact CB-CH2 4Å; V147-W161 HydrophobicContact CB-CZ2 4.1Å; V147-W161 HydrophobicContact CG1-CD2 4.33Å; V147-W161 HydrophobicContact CG1-CE3 4.4Å; V147-W161 HydrophobicContact CG1-CH2 3.65Å; V147-W161 HydrophobicContact CG1-CZ2 3.56Å; V147-W161 HydrophobicContact CG1-CZ3 4.08Å; V147-L245 HydrophobicContact CG2-CD2 4.13Å; V147-L250 HydrophobicContact CB-CD2 4.17Å; V147-L250 HydrophobicContact CG1-CD2 4.29Å; V147-L250 HydrophobicContact CG2-CD2 3.78Å
148S96.1Very high94.7Very high7 Ų745 Ų455%0.04927%0.265CS..Hα-helixtrans-59.7-42.4179.2-173.90000112.1V144 F151 X152 T171V144-S148 WeakPolarHBondContact O-CB 3.17Å; V144-S148 PolarHBondContact O-N 3.02Å; S148-F151 PolarHBondContact O-N 2.9Å; S148-A152 WeakPolarHBondContact O-CB 3.12Å; S148-A152 PolarHBondContact O-N 3.46Å; S148-T171 PolarHBondContact OG-N 3.49Å; S148-T171 PolarHBondContact OG-OG1 3.2Å
149S95.9Very high95.1Very high46 Ų4640.9 Ų40.932%0.32223%0.231SC..Hα-helixtrans-69.3-34.7178.8-60.40000112.9Q145 A146 V147 K247Q145-S149 WeakPolarHBondContact O-CB 3.49Å; Q145-S149 PolarHBondContact O-N 3.48Å; Q145-S149 PolarHBondContact O-OG 2.85Å; A146-S149 PolarHBondContact O-N 3.46Å; V147-S149 VanDerWaalsContact C-N 3.32Å; V147-S149 PolarHBondContact O-N 2.98Å; S149-K247 WeakPolarHBondContact O-CE 3.35Å
150A97.3Very high95.5Very high0 Ų039.2 Ų39.20%022%0.217CC..Hα-helixtrans-65.2-46.5174.300000110.1A146 V147 X152 N153 L154 K247 L250 H251A146-A150 WeakPolarHBondContact O-CB 3.48Å; A146-A150 PolarHBondContact O-N 3.21Å; V147-A150 PolarHBondContact O-N 3.37Å; A150-A152 PolarHBondContact O-N 2.91Å; A150-N153 PolarHBondContact O-N 2.64Å; A150-L154 WeakPolarHBondContact O-CG 3.07Å; A150-K247 HydrophobicContact CB-CG 4.36Å; A150-L250 HydrophobicContact CB-CB 4.28Å; A150-L250 HydrophobicContact CB-CD2 4Å; A150-L250 HydrophobicContact CB-CG 4.21Å; A150-H251 HydrophobicContact CB-CB 4.17Å
151F97.8Very high95.8Very high1 Ų133.6 Ų33.60%0.00419%0.187CC..Hα-helixtrans-65.4-37.6179.5-67.9-7.3000113.2L128 V147 S148 N153 L154 I159 W161 H175 V176 I197 I254L128-F151 HydrophobicContact CB-CE2 4.25Å; L128-F151 HydrophobicContact CB-CZ 3.88Å; L128-F151 HydrophobicContact CD1-CE2 4.15Å; L128-F151 HydrophobicContact CD1-CZ 3.58Å; L128-F151 HydrophobicContact CG-CZ 4.35Å; V147-F151 HydrophobicContact CG1-CD2 3.93Å; V147-F151 HydrophobicContact CG1-CE1 4.28Å; V147-F151 HydrophobicContact CG1-CE2 3.49Å; V147-F151 VanDerWaalsContact CG1-CE2 3.49Å; V147-F151 HydrophobicContact CG1-CZ 3.7Å; V147-F151 WeakPolarHBondContact O-CG 3.43Å; V147-F151 PolarHBondContact O-N 2.87Å; S148-F151 PolarHBondContact O-N 2.9Å; F151-N153 PolarHBondContact O-N 3.33Å; F151-N153 VanDerWaalsContact O-N 3.15Å; F151-L154 HydrophobicContact CD1-CD1 4.24Å; F151-L154 PolarHBondContact O-N 3.01Å; F151-L154 VanDerWaalsContact O-N 3.09Å; F151-I159 HydrophobicContact CB-CD1 3.68Å; F151-I159 HydrophobicContact CD1-CD1 3.83Å; F151-I159 HydrophobicContact CD1-CG2 4.25Å; F151-I159 HydrophobicContact CD2-CG2 3.72Å; F151-I159 HydrophobicContact CE1-CG2 4.3Å; F151-I159 HydrophobicContact CE2-CG2 3.77Å; F151-I159 HydrophobicContact CG-CD1 3.81Å; F151-I159 HydrophobicContact CG-CG2 3.96Å; F151-I159 HydrophobicContact CZ-CG2 4.06Å; F151-W161 HydrophobicContact CD2-CD2 4.13Å; F151-W161 AromaticContact CD2-CE3 3.7Å; F151-W161 HydrophobicContact CD2-CE3 3.7Å; F151-W161 HydrophobicContact CD2-CZ3 4.21Å; F151-W161 HydrophobicContact CE2-CB 4.09Å; F151-W161 AromaticContact CE2-CD2 3.76Å; F151-W161 HydrophobicContact CE2-CD2 3.76Å; F151-W161 AromaticContact CE2-CE3 3.83Å; F151-W161 HydrophobicContact CE2-CE3 3.83Å; F151-W161 AromaticContact CE2-CG 3.89Å; F151-W161 HydrophobicContact CE2-CG 3.89Å; F151-H175 PolarHBondContact O-NE2 2.85Å; F151-V176 HydrophobicContact CB-CG2 4.19Å; F151-V176 HydrophobicContact CD2-CG1 4.48Å; F151-I197 HydrophobicContact CE1-CD1 3.91Å; F151-I197 HydrophobicContact CZ-CD1 4.02Å; F151-I254 HydrophobicContact CD1-CD1 4.46Å; F151-I254 HydrophobicContact CE1-CD1 3.89Å
152X96.2Very high96Very high8 Ų829.8 Ų29.87%0.06616%0.163CC..Hα-helixtrans-59.5-25.9175.800000113.5S148 A150 Q155 R173S148-A152 WeakPolarHBondContact O-CB 3.12Å; S148-A152 PolarHBondContact O-N 3.46Å; A150-A152 PolarHBondContact O-N 2.91Å; A152-Q155 PolarHBondContact O-NE2 2.78Å; A152-R173 HydrophobicContact CB-CG 4.35Å
153N96.2Very high96.1Very high78 Ų7826.9 Ų26.942%0.41714%0.138SC..THydrogen-bonded Turntrans-92.9-0.9180-80.99.3000114.2A150 F151 K247A150-N153 PolarHBondContact O-N 2.64Å; F151-N153 PolarHBondContact O-N 3.33Å; F151-N153 VanDerWaalsContact O-N 3.15Å; N153-K247 WeakPolarHBondContact ND2-CE 3.49Å; N153-K247 PolarHBondContact ND2-NZ 2.96Å; N153-K247 VanDerWaalsContact ND2-NZ 3.15Å
154L97.1Very high96Very high0 Ų028.4 Ų28.40%015%0.145CC..  trans-10445.9-178.8-70.6170.9000111.8M126 A150 F151 Q156 Y157 I159 H175 I254 I255M126-L154 HydrophobicContact SD-CD1 4.21Å; A150-L154 WeakPolarHBondContact O-CG 3.07Å; F151-L154 HydrophobicContact CD1-CD1 4.24Å; F151-L154 PolarHBondContact O-N 3.01Å; F151-L154 VanDerWaalsContact O-N 3.09Å; L154-Q156 PolarHBondContact O-N 3.24Å; L154-Q156 VanDerWaalsContact O-N 3.15Å; L154-Y157 HydrophobicContact CD2-CD2 4.35Å; L154-Y157 PolarHBondContact O-N 3.08Å; L154-I159 HydrophobicContact CB-CD1 3.77Å; L154-I159 HydrophobicContact CD1-CD1 4.05Å; L154-H175 PolarHBondContact O-CD2 3.09Å; L154-I254 HydrophobicContact CD1-CB 4.45Å; L154-I254 HydrophobicContact CD1-CD1 4.04Å; L154-I254 HydrophobicContact CD1-CG2 3.88Å; L154-I255 HydrophobicContact CD2-CD1 3.46Å; L154-I255 VanDerWaalsContact CD2-CD1 3.46Å; L154-I255 HydrophobicContact CD2-CG1 3.87Å
155Q96.6Very high95.6Very high126 Ų12631.3 Ų31.359%0.58916%0.158SC*.THydrogen-bonded Turntrans-63-22.6-171.7-65.71634.800113.9X152 Y157A152-Q155 PolarHBondContact O-NE2 2.78Å; Q155-Y157 PolarHBondContact O-N 3.2Å
156Q97.4Very high95.2Very high63 Ų6330.3 Ų30.329%0.29416%0.156SC..THydrogen-bonded Turntrans-75-4.6174.969.6-79.72.700114K123 L154K123-Q156 WeakPolarHBondContact CB-O 3.41Å; K123-Q156 HydrophobicContact CD-CB 4.18Å; K123-Q156 HydrophobicContact CD-CG 3.85Å; K123-Q156 HydrophobicContact CG-CB 4.26Å; K123-Q156 HydrophobicContact CG-CG 4.39Å; K123-Q156 PolarHBondContact N-O 3.09Å; L154-Q156 PolarHBondContact O-N 3.24Å; L154-Q156 VanDerWaalsContact O-N 3.15Å
157Y98.1Very high94.7Very high8 Ų834.4 Ų34.43%0.03118%0.176CC..SBendtrans-122.3158.6177.6-64.7-78.8000111.2K123 G124 M126 L154 Q155 H175 I255 A258K123-Y157 HydrophobicContact CB-CD1 3.89Å; K123-Y157 HydrophobicContact CB-CE1 3.5Å; K123-Y157 VanDerWaalsContact CB-CE1 3.5Å; K123-Y157 HydrophobicContact CD-CE1 4.45Å; G124-Y157 WeakPolarHBondContact O-CA 3.35Å; M126-Y157 HydrophobicContact CE-CD1 3.57Å; M126-Y157 HydrophobicContact CE-CD2 3.33Å; M126-Y157 HydrophobicContact CE-CE1 3.68Å; M126-Y157 HydrophobicContact CE-CE2 3.45Å; M126-Y157 VanDerWaalsContact CE-CE2 3.45Å; M126-Y157 HydrophobicContact CE-CG 3.4Å; M126-Y157 VanDerWaalsContact CE-CG 3.4Å; M126-Y157 HydrophobicContact CG-CD1 4.42Å; M126-Y157 HydrophobicContact CG-CG 4.38Å; M126-Y157 HydrophobicContact SD-CD1 4.34Å; M126-Y157 HydrophobicContact SD-CD2 4.02Å; M126-Y157 HydrophobicContact SD-CG 3.84Å; L154-Y157 HydrophobicContact CD2-CD2 4.35Å; L154-Y157 PolarHBondContact O-N 3.08Å; Q155-Y157 PolarHBondContact O-N 3.2Å; Y157-H175 PolarHBondContact O-CD2 2.97Å; Y157-I255 HydrophobicContact CE2-CD1 3.87Å; Y157-A258 HydrophobicContact CE1-CB 4.48Å
158R98Very high94Very high40 Ų4038.7 Ų38.715%0.15121%0.206CC..EExtended strand (participates in β ladder)trans-97.7127.4169.4-66.7-77163.4-155.8-14.4108F116 D119 S122 G124 T125 M126 S174F116-R158 HydrophobicContact CD1-CB 4.05Å; F116-R158 HydrophobicContact CE1-CB 3.64Å; F116-R158 HydrophobicContact CE1-CG 4.49Å; F116-R158 HydrophobicContact CZ-CB 4.03Å; F116-R158 WeakPolarHBondContact O-CD 3.38Å; F116-R158 WeakPolarHBondContact O-CG 3.49Å; D119-R158 HydrophobicContact CB-CG 4.17Å; D119-R158 IonicContact OD2-CZ 2.9Å; D119-R158 IonicContact OD2-NE 2.87Å; D119-R158 PolarHBondContact OD2-NE 3.2Å; D119-R158 IonicContact OD2-NH1 3.9Å; D119-R158 IonicContact OD2-NH2 2.6Å; D119-R158 PolarHBondContact OD2-NH2 3.15Å; S122-R158 PolarHBondContact OG-N 3.13Å; G124-R158 PolarHBondContact O-N 3.49Å; T125-R158 CarbonylContact C-O 3.48Å; T125-R158 VanDerWaalsContact CA-O 3.25Å; T125-R158 WeakPolarHBondContact CA-O 3.41Å; M126-R158 PolarHBondContact N-O 2.72Å; R158-S174 PolarHBondContact NH1-O 3.07Å; R158-S174 VanDerWaalsContact NH1-O 3.13Å
159I98.1Very high93.5Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-116.8124.6-173-57.2178.2000108.7F116 M126 F151 L154 H175 V176 K177F116-I159 WeakPolarHBondContact CZ-O 3.31Å; M126-I159 HydrophobicContact CB-CG1 4.41Å; M126-I159 CarbonylContact O-C 3.48Å; M126-I159 WeakPolarHBondContact O-CA 3.19Å; F151-I159 HydrophobicContact CB-CD1 3.68Å; F151-I159 HydrophobicContact CD1-CD1 3.83Å; F151-I159 HydrophobicContact CD1-CG2 4.25Å; F151-I159 HydrophobicContact CD2-CG2 3.72Å; F151-I159 HydrophobicContact CE1-CG2 4.3Å; F151-I159 HydrophobicContact CE2-CG2 3.77Å; F151-I159 HydrophobicContact CG-CD1 3.81Å; F151-I159 HydrophobicContact CG-CG2 3.96Å; F151-I159 HydrophobicContact CZ-CG2 4.06Å; L154-I159 HydrophobicContact CB-CD1 3.77Å; L154-I159 HydrophobicContact CD1-CD1 4.05Å; I159-H175 PolarHBondContact N-O 2.84Å; I159-V176 HydrophobicContact CB-CG1 4.32Å; I159-V176 HydrophobicContact CB-CG2 4.23Å; I159-V176 HydrophobicContact CD1-CG2 4.38Å; I159-V176 HydrophobicContact CG2-CG1 4.32Å; I159-V176 CarbonylContact O-C 3.59Å; I159-V176 WeakPolarHBondContact O-CA 3.43Å; I159-K177 PolarHBondContact O-N 3.47Å
160I97.3Very high93.2Very high0 Ų040.1 Ų40.10%021%0.212CC..EExtended strand (participates in β ladder)trans-105.5119.8170.7-59.3176.3000107.2Y113 F116 V117 T125 M126 I127 L128 K177 V182 I187Y113-I160 HydrophobicContact CD1-CD1 3.92Å; Y113-I160 HydrophobicContact CE1-CD1 4.35Å; F116-I160 HydrophobicContact CD1-CD1 4.27Å; F116-I160 HydrophobicContact CD1-CG1 3.97Å; F116-I160 HydrophobicContact CE1-CD1 4.44Å; F116-I160 HydrophobicContact CE1-CG1 3.67Å; V117-I160 HydrophobicContact CG2-CD1 3.96Å; T125-I160 HydrophobicContact CG2-CD1 4.06Å; T125-I160 HydrophobicContact CG2-CG1 4.29Å; M126-I160 PolarHBondContact O-N 3.23Å; I127-I160 CarbonylContact C-O 3.36Å; I127-I160 VanDerWaalsContact CA-O 3.28Å; I127-I160 WeakPolarHBondContact CA-O 2.97Å; I127-I160 HydrophobicContact CB-CB 4.44Å; I127-I160 HydrophobicContact CD1-CB 4.45Å; I127-I160 HydrophobicContact CD1-CG2 4.21Å; I127-I160 HydrophobicContact CG1-CB 4.34Å; I127-I160 HydrophobicContact CG1-CG2 4.43Å; L128-I160 PolarHBondContact N-O 2.98Å; I160-K177 CarbonylContact C-O 3.54Å; I160-K177 WeakPolarHBondContact CA-O 3.39Å; I160-V182 HydrophobicContact CG2-CB 4.33Å; I160-V182 HydrophobicContact CG2-CG1 3.63Å; I160-I187 HydrophobicContact CD1-CD1 3.64Å; I160-I187 HydrophobicContact CD1-CG1 4.11Å; I160-I187 HydrophobicContact CD1-CG2 4.14Å; I160-I187 HydrophobicContact CG2-CD1 4.24Å
161W96.3Very high92.5Very high1 Ų142.9 Ų42.90%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-116.8109.9-179-175.92.5000109.8L128 W136 V144 V147 F151 F163 V170 K177 I178 E179L128-W161 VanDerWaalsContact CD2-CD1 3.46Å; W136-W161 HydrophobicContact CD2-CZ2 4.4Å; W136-W161 AromaticContact CE2-NE1 3.41Å; W136-W161 HydrophobicContact CE3-CZ2 4.17Å; W136-W161 AromaticContact CH2-CZ2 3.91Å; W136-W161 HydrophobicContact CH2-CZ2 3.91Å; W136-W161 AromaticContact CH2-NE1 3.94Å; W136-W161 HydrophobicContact CZ2-CZ2 4.16Å; W136-W161 AromaticContact CZ2-NE1 3.33Å; W136-W161 VanDerWaalsContact CZ2-NE1 3.33Å; W136-W161 AromaticContact CZ3-CZ2 3.9Å; W136-W161 HydrophobicContact CZ3-CZ2 3.9Å; W136-W161 AromaticContact NE1-NE1 3.68Å; V144-W161 HydrophobicContact CG1-CH2 4.1Å; V147-W161 HydrophobicContact CB-CH2 4Å; V147-W161 HydrophobicContact CB-CZ2 4.1Å; V147-W161 HydrophobicContact CG1-CD2 4.33Å; V147-W161 HydrophobicContact CG1-CE3 4.4Å; V147-W161 HydrophobicContact CG1-CH2 3.65Å; V147-W161 HydrophobicContact CG1-CZ2 3.56Å; V147-W161 HydrophobicContact CG1-CZ3 4.08Å; F151-W161 HydrophobicContact CD2-CD2 4.13Å; F151-W161 AromaticContact CD2-CE3 3.7Å; F151-W161 HydrophobicContact CD2-CE3 3.7Å; F151-W161 HydrophobicContact CD2-CZ3 4.21Å; F151-W161 HydrophobicContact CE2-CB 4.09Å; F151-W161 AromaticContact CE2-CD2 3.76Å; F151-W161 HydrophobicContact CE2-CD2 3.76Å; F151-W161 AromaticContact CE2-CE3 3.83Å; F151-W161 HydrophobicContact CE2-CE3 3.83Å; F151-W161 AromaticContact CE2-CG 3.89Å; F151-W161 HydrophobicContact CE2-CG 3.89Å; W161-F163 HydrophobicContact CD2-CB 4.35Å; W161-F163 HydrophobicContact CD2-CD2 4.41Å; W161-F163 AromaticContact CE2-CD2 3.61Å; W161-F163 HydrophobicContact CG-CB 4.22Å; W161-F163 HydrophobicContact CH2-CD2 4.28Å; W161-F163 HydrophobicContact CH2-CE2 4.26Å; W161-F163 AromaticContact CZ2-CD2 3.53Å; W161-F163 HydrophobicContact CZ2-CD2 3.53Å; W161-F163 AromaticContact CZ2-CE2 3.79Å; W161-F163 HydrophobicContact CZ2-CE2 3.79Å; W161-F163 HydrophobicContact CZ2-CG 4.42Å; W161-F163 AromaticContact NE1-CD2 3.72Å; W161-F163 PolarHBondContact O-N 2.88Å; W161-V170 HydrophobicContact CH2-CG1 3.53Å; W161-V170 HydrophobicContact CZ3-CB 4.11Å; W161-V170 HydrophobicContact CZ3-CG1 3.54Å; W161-K177 PolarHBondContact N-O 3.12Å; W161-I178 HydrophobicContact CB-CG1 4.34Å; W161-I178 HydrophobicContact CE3-CD1 3.96Å; W161-I178 HydrophobicContact CE3-CG1 4.36Å; W161-I178 HydrophobicContact CZ3-CD1 4.44Å; W161-I178 WeakPolarHBondContact O-CA 3.31Å; W161-E179 PolarHBondContact O-N 3.11Å
162Q95.4Very high91.9Very high19 Ų1950 Ų509%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-70.1111.4168.2-169.8-177.516.500109.9L128 S129 W136 E179 S180 V182L128-Q162 WeakPolarHBondContact O-CB 3.32Å; L128-Q162 PolarHBondContact O-N 2.96Å; S129-Q162 PolarHBondContact OG-OE1 3.2Å; W136-Q162 PolarHBondContact NE1-O 2.93Å; Q162-E179 CarbonylContact C-O 3.51Å; Q162-E179 WeakPolarHBondContact CA-O 3.33Å; Q162-S180 WeakPolarHBondContact CG-O 3.36Å; Q162-S180 PolarHBondContact NE2-O 2.65Å; Q162-V182 HydrophobicContact CB-CG1 4.24Å; Q162-V182 HydrophobicContact CB-CG2 4.04Å; Q162-V182 HydrophobicContact CG-CG2 4.33Å
163F93.8Very high91.8Very high5 Ų555 Ų552%0.02229%0.285CS..  trans-148.7132-170.7-174.1-100.9000110.7W136 V144 W161 E165 L167 V169 V170 I178 E179 S180W136-F163 HydrophobicContact CB-CD2 3.65Å; W136-F163 HydrophobicContact CB-CE2 3.59Å; W136-F163 HydrophobicContact CB-CG 4.49Å; W136-F163 HydrophobicContact CB-CZ 4.42Å; W136-F163 AromaticContact CD1-CD2 3.75Å; W136-F163 AromaticContact CD2-CD2 3.53Å; W136-F163 HydrophobicContact CD2-CD2 3.53Å; W136-F163 AromaticContact CD2-CE2 3.79Å; W136-F163 HydrophobicContact CD2-CE2 3.79Å; W136-F163 HydrophobicContact CE3-CD2 4.03Å; W136-F163 AromaticContact CE3-CE2 3.86Å; W136-F163 HydrophobicContact CE3-CE2 3.86Å; W136-F163 AromaticContact CG-CD2 3.34Å; W136-F163 HydrophobicContact CG-CD2 3.34Å; W136-F163 AromaticContact CG-CE2 3.7Å; W136-F163 HydrophobicContact CG-CE2 3.7Å; W136-F163 HydrophobicContact CG-CG 4.29Å; V144-F163 HydrophobicContact CG1-CE2 3.93Å; V144-F163 HydrophobicContact CG1-CZ 4.04Å; W161-F163 HydrophobicContact CD2-CB 4.35Å; W161-F163 HydrophobicContact CD2-CD2 4.41Å; W161-F163 AromaticContact CE2-CD2 3.61Å; W161-F163 HydrophobicContact CG-CB 4.22Å; W161-F163 HydrophobicContact CH2-CD2 4.28Å; W161-F163 HydrophobicContact CH2-CE2 4.26Å; W161-F163 AromaticContact CZ2-CD2 3.53Å; W161-F163 HydrophobicContact CZ2-CD2 3.53Å; W161-F163 AromaticContact CZ2-CE2 3.79Å; W161-F163 HydrophobicContact CZ2-CE2 3.79Å; W161-F163 HydrophobicContact CZ2-CG 4.42Å; W161-F163 AromaticContact NE1-CD2 3.72Å; W161-F163 PolarHBondContact O-N 2.88Å; F163-E165 HydrophobicContact CD1-CB 4.48Å; F163-E165 WeakPolarHBondContact CD1-O 3.43Å; F163-E165 VanDerWaalsContact CE1-C 3.5Å; F163-E165 HydrophobicContact CE1-CB 3.71Å; F163-E165 WeakPolarHBondContact CE1-O 3.37Å; F163-E165 HydrophobicContact CE2-CB 4.22Å; F163-E165 HydrophobicContact CZ-CB 3.56Å; F163-E165 HydrophobicContact CZ-CG 4.2Å; F163-L167 HydrophobicContact CD1-CD2 4.13Å; F163-V169 HydrophobicContact CE1-CG2 4.41Å; F163-V169 HydrophobicContact CZ-CG2 3.84Å; F163-V170 HydrophobicContact CE1-CG1 4.16Å; F163-V170 HydrophobicContact CE1-CG2 4.49Å; F163-V170 HydrophobicContact CE2-CG1 4.29Å; F163-V170 HydrophobicContact CZ-CG1 3.87Å; F163-I178 HydrophobicContact CB-CG2 3.48Å; F163-I178 VanDerWaalsContact CB-CG2 3.48Å; F163-I178 HydrophobicContact CD1-CG2 3.9Å; F163-I178 HydrophobicContact CG-CG2 4.01Å; F163-E179 PolarHBondContact N-O 2.85Å; F163-E179 CarbonylContact O-C 3.54Å; F163-S180 VanDerWaalsContact O-CA 3.26Å; F163-S180 WeakPolarHBondContact O-CA 3.47Å; F163-S180 PolarHBondContact O-N 2.99Å
164N89.9Confident91.6Very high63 Ų6356.4 Ų56.434%0.33730%0.301SS..  trans-122.411.2-170.668.4-39.9000114.2D135 W136 K137D135-N164 PolarHBondContact OD1-ND2 2.77Å; D135-N164 PolarHBondContact OD1-OD1 2.91Å; W136-N164 WeakPolarHBondContact CB-OD1 3.23Å; W136-N164 PolarHBondContact N-OD1 3.24Å; K137-N164 WeakPolarHBondContact CE-O 3.14Å
165E86.1Confident91.6Very high68 Ų6856.9 Ų56.932%0.31830%0.303SS..SBendtrans-99.9172.8172.9-179.255-88.200110.5W136 K137 F163 L167W136-E165 HydrophobicContact CB-CB 4.19Å; K137-E165 WeakPolarHBondContact CA-OE2 3.38Å; K137-E165 WeakPolarHBondContact CB-OE2 3.38Å; K137-E165 HydrophobicContact CG-CB 3.98Å; K137-E165 HydrophobicContact CG-CG 4.36Å; K137-E165 WeakPolarHBondContact CG-OE2 3.49Å; F163-E165 HydrophobicContact CD1-CB 4.48Å; F163-E165 WeakPolarHBondContact CD1-O 3.43Å; F163-E165 VanDerWaalsContact CE1-C 3.5Å; F163-E165 HydrophobicContact CE1-CB 3.71Å; F163-E165 WeakPolarHBondContact CE1-O 3.37Å; F163-E165 HydrophobicContact CE2-CB 4.22Å; F163-E165 HydrophobicContact CZ-CB 3.56Å; F163-E165 HydrophobicContact CZ-CG 4.2Å; E165-L167 PolarHBondContact O-N 3Å
166D84Confident91.6Very high90 Ų9051.6 Ų51.648%0.48128%0.279SS..  trans-53.6126.7176.8-174.2-3.8000111.6S168 V169D166-S168 PolarHBondContact O-N 3.49Å; D166-S168 WeakPolarHBondContact OD1-CB 2.93Å; D166-S168 PolarHBondContact OD1-N 3.32Å; D166-S168 PolarHBondContact OD1-OG 3.03Å; D166-S168 PolarHBondContact OD2-OG 3.43Å; D166-V169 VanDerWaalsContact O-CG2 3.27Å; D166-V169 WeakPolarHBondContact O-CG2 3.41Å; D166-V169 PolarHBondContact O-N 3.23Å
167L85.1Confident91.5Very high99 Ų9950.6 Ų50.652%0.51827%0.273SS..G310 helixtrans-66.8-15.7178.6-61178.8000112.9F163 E165 V169 V170 I178F163-L167 HydrophobicContact CD1-CD2 4.13Å; E165-L167 PolarHBondContact O-N 3Å; L167-V169 PolarHBondContact O-N 3.28Å; L167-V170 HydrophobicContact CB-CG2 4.41Å; L167-V170 HydrophobicContact CD2-CG2 4.25Å; L167-V170 WeakPolarHBondContact O-CG2 3.43Å; L167-V170 PolarHBondContact O-N 3.46Å; L167-I178 HydrophobicContact CD2-CB 4.02Å; L167-I178 HydrophobicContact CD2-CG2 3.51Å
168S82.4Confident91.4Very high91 Ų9151.9 Ų51.964%0.63628%0.281SS*.G310 helixtrans-60.8-22.9176.873.10000113.4D166D166-S168 PolarHBondContact O-N 3.49Å; D166-S168 WeakPolarHBondContact OD1-CB 2.93Å; D166-S168 PolarHBondContact OD1-N 3.32Å; D166-S168 PolarHBondContact OD1-OG 3.03Å; D166-S168 PolarHBondContact OD2-OG 3.43Å
169V85Confident91.1Very high68 Ų6851.7 Ų51.741%0.41228%0.282SS..G310 helixtrans-87.3-5.9-178.7-46.90000113.6V144 F163 D166 L167V144-V169 HydrophobicContact CG1-CG2 3.77Å; F163-V169 HydrophobicContact CE1-CG2 4.41Å; F163-V169 HydrophobicContact CZ-CG2 3.84Å; D166-V169 VanDerWaalsContact O-CG2 3.27Å; D166-V169 WeakPolarHBondContact O-CG2 3.41Å; D166-V169 PolarHBondContact O-N 3.23Å; L167-V169 PolarHBondContact O-N 3.28Å
170V89.5Confident90.8Very high15 Ų1555.9 Ų55.99%0.09131%0.311CS..SBendtrans-119.8146.6-177.7-65.20000111.2V144 W161 F163 L167 N172 I178V144-V170 HydrophobicContact CG1-CG1 3.71Å; W161-V170 HydrophobicContact CH2-CG1 3.53Å; W161-V170 HydrophobicContact CZ3-CB 4.11Å; W161-V170 HydrophobicContact CZ3-CG1 3.54Å; F163-V170 HydrophobicContact CE1-CG1 4.16Å; F163-V170 HydrophobicContact CE1-CG2 4.49Å; F163-V170 HydrophobicContact CE2-CG1 4.29Å; F163-V170 HydrophobicContact CZ-CG1 3.87Å; L167-V170 HydrophobicContact CB-CG2 4.41Å; L167-V170 HydrophobicContact CD2-CG2 4.25Å; L167-V170 WeakPolarHBondContact O-CG2 3.43Å; L167-V170 PolarHBondContact O-N 3.46Å; V170-N172 PolarHBondContact O-N 2.94Å; V170-I178 HydrophobicContact CB-CD1 4.11Å; V170-I178 HydrophobicContact CG2-CD1 3.52Å
171T81.9Confident90.5Very high57 Ų5763 Ų6335%0.3534%0.338SS..  trans-70.3124.5178.9-51.20000110.5S148 R173S148-T171 PolarHBondContact OG-N 3.49Å; S148-T171 PolarHBondContact OG-OG1 3.2Å; T171-R173 HydrophobicContact CG2-CG 3.94Å; T171-R173 VanDerWaalsContact CG2-NE 3.34Å; T171-R173 PolarHBondContact O-N 2.81Å
172N85.8Confident90.3Very high152 Ų15263.2 Ų63.281%0.81334%0.339SS*.  trans-75.6115.9172.3-172.33.8000110.7V170V170-N172 PolarHBondContact O-N 2.94Å
173R93.3Very high90.2Very high113 Ų11364.3 Ų64.343%0.42635%0.348SS..  trans-135.6137.7178-61.6-65.5-174.7179-2109.3X152 T171 H175 V176A152-R173 HydrophobicContact CB-CG 4.35Å; T171-R173 HydrophobicContact CG2-CG 3.94Å; T171-R173 VanDerWaalsContact CG2-NE 3.34Å; T171-R173 PolarHBondContact O-N 2.81Å; R173-H175 PolarHBondContact O-N 3.34Å; R173-H175 VanDerWaalsContact O-N 3.13Å; R173-V176 HydrophobicContact CB-CB 4.35Å; R173-V176 HydrophobicContact CB-CG2 3.98Å; R173-V176 PolarHBondContact O-N 3.18Å; R173-V176 VanDerWaalsContact O-O 3.08Å
174S93.7Very high90.1Very high107 Ų10765 Ų6575%0.74835%0.351SS*.THydrogen-bonded Turntrans-64.1-20.1-177.256.80000114.4R158R158-S174 PolarHBondContact NH1-O 3.07Å; R158-S174 VanDerWaalsContact NH1-O 3.13Å
175H96.6Very high90.2Very high10 Ų1063 Ų635%0.04634%0.344CS..THydrogen-bonded Turntrans-91.13.1174.672.5-74.5000114.3F116 F151 L154 Y157 I159 R173F116-H175 WeakPolarHBondContact CZ-O 3.48Å; F151-H175 PolarHBondContact O-NE2 2.85Å; L154-H175 PolarHBondContact O-CD2 3.09Å; Y157-H175 PolarHBondContact O-CD2 2.97Å; I159-H175 PolarHBondContact N-O 2.84Å; R173-H175 PolarHBondContact O-N 3.34Å; R173-H175 VanDerWaalsContact O-N 3.13Å
176V96.8Very high90.6Very high15 Ų1560.2 Ų60.29%0.09133%0.333CS..EExtended strand (participates in β ladder)trans-121.6111.3177.6-172.20000109.1F151 I159 R173 I178F151-V176 HydrophobicContact CB-CG2 4.19Å; F151-V176 HydrophobicContact CD2-CG1 4.48Å; I159-V176 HydrophobicContact CB-CG1 4.32Å; I159-V176 HydrophobicContact CB-CG2 4.23Å; I159-V176 HydrophobicContact CD1-CG2 4.38Å; I159-V176 HydrophobicContact CG2-CG1 4.32Å; I159-V176 CarbonylContact O-C 3.59Å; I159-V176 WeakPolarHBondContact O-CA 3.43Å; R173-V176 HydrophobicContact CB-CB 4.35Å; R173-V176 HydrophobicContact CB-CG2 3.98Å; R173-V176 PolarHBondContact O-N 3.18Å; R173-V176 VanDerWaalsContact O-O 3.08Å; V176-I178 HydrophobicContact CG1-CD1 4.13Å; V176-I178 HydrophobicContact CG1-CG1 3.79Å
177K95.4Very high91.1Very high41 Ų4156 Ų5618%0.17831%0.31CS..EExtended strand (participates in β ladder)trans-96.3120.3172.9-177.5165.3172.5600108.5E112 Y113 F116 I159 I160 W161 E179E112-K177 IonicContact OE1-NZ 3.99Å; E112-K177 PolarHBondContact OE1-NZ 3.28Å; Y113-K177 HydrophobicContact CD1-CD 4.29Å; Y113-K177 HydrophobicContact CE1-CD 4.21Å; F116-K177 HydrophobicContact CD1-CB 4.35Å; F116-K177 HydrophobicContact CD2-CB 4.34Å; F116-K177 HydrophobicContact CE1-CB 3.87Å; F116-K177 HydrophobicContact CE2-CB 3.87Å; F116-K177 HydrophobicContact CG-CD 4.36Å; F116-K177 HydrophobicContact CZ-CB 3.6Å; I159-K177 PolarHBondContact O-N 3.47Å; I160-K177 CarbonylContact C-O 3.54Å; I160-K177 WeakPolarHBondContact CA-O 3.39Å; W161-K177 PolarHBondContact N-O 3.12Å; K177-E179 WeakPolarHBondContact CE-OE1 3.37Å; K177-E179 HydrophobicContact CG-CG 4.2Å; K177-E179 IonicContact NZ-OE1 3.94Å; K177-E179 PolarHBondContact NZ-OE1 2.97Å; K177-E179 IonicContact NZ-OE2 2.8Å
178I95.1Very high91.6Very high36 Ų3651.3 Ų51.319%0.18529%0.286CS..EExtended strand (participates in β ladder)trans-115.9123.8-174.8-52.6-176000108.8W161 F163 L167 V170 V176W161-I178 HydrophobicContact CB-CG1 4.34Å; W161-I178 HydrophobicContact CE3-CD1 3.96Å; W161-I178 HydrophobicContact CE3-CG1 4.36Å; W161-I178 HydrophobicContact CZ3-CD1 4.44Å; W161-I178 WeakPolarHBondContact O-CA 3.31Å; F163-I178 HydrophobicContact CB-CG2 3.48Å; F163-I178 VanDerWaalsContact CB-CG2 3.48Å; F163-I178 HydrophobicContact CD1-CG2 3.9Å; F163-I178 HydrophobicContact CG-CG2 4.01Å; L167-I178 HydrophobicContact CD2-CB 4.02Å; L167-I178 HydrophobicContact CD2-CG2 3.51Å; V170-I178 HydrophobicContact CB-CD1 4.11Å; V170-I178 HydrophobicContact CG2-CD1 3.52Å; V176-I178 HydrophobicContact CG1-CD1 4.13Å; V176-I178 HydrophobicContact CG1-CG1 3.79Å
179E92.3Very high92.2Very high36 Ų3649 Ų4917%0.16827%0.265CS..EExtended strand (participates in β ladder)trans-146.5148.4-173.7-65.3-179.813900111.9Y113 W161 Q162 F163 K177 W181 V182Y113-E179 WeakPolarHBondContact CE1-OE2 3.48Å; Y113-E179 VanDerWaalsContact OH-CD 3.31Å; Y113-E179 PolarHBondContact OH-OE2 2.71Å; W161-E179 PolarHBondContact O-N 3.11Å; Q162-E179 CarbonylContact C-O 3.51Å; Q162-E179 WeakPolarHBondContact CA-O 3.33Å; F163-E179 PolarHBondContact N-O 2.85Å; F163-E179 CarbonylContact O-C 3.54Å; K177-E179 WeakPolarHBondContact CE-OE1 3.37Å; K177-E179 HydrophobicContact CG-CG 4.2Å; K177-E179 IonicContact NZ-OE1 3.94Å; K177-E179 PolarHBondContact NZ-OE1 2.97Å; K177-E179 IonicContact NZ-OE2 2.8Å; E179-W181 VanDerWaalsContact C-N 3.28Å; E179-W181 PolarHBondContact O-N 3.09Å; E179-V182 HydrophobicContact CB-CG1 4.19Å
180S91Very high92.6Very high87 Ų8747.1 Ų47.161%0.60825%0.251SS*.SBendtrans-68.8-29.7176.956.40000112.8Q162 F163Q162-S180 WeakPolarHBondContact CG-O 3.36Å; Q162-S180 PolarHBondContact NE2-O 2.65Å; F163-S180 VanDerWaalsContact O-CA 3.26Å; F163-S180 WeakPolarHBondContact O-CA 3.47Å; F163-S180 PolarHBondContact O-N 2.99Å
181W91.2Very high92.8Very high151 Ų15152.1 Ų52.157%0.57228%0.284SS*.  trans-136.6140.8178.7-177.2-101.1000110.7H132 E179H132-W181 AromaticContact CE1-CH2 3.49Å; H132-W181 VanDerWaalsContact CE1-CH2 3.49Å; H132-W181 WeakPolarHBondContact CE1-CH2 3.08Å; H132-W181 AromaticContact CE1-CZ3 3.34Å; H132-W181 WeakPolarHBondContact CE1-CZ3 3.24Å; H132-W181 AromaticContact NE2-CH2 3.75Å; H132-W181 AromaticContact NE2-CZ3 3.36Å; H132-W181 WeakPolarHBondContact NE2-CZ3 2.99Å; E179-W181 VanDerWaalsContact C-N 3.28Å; E179-W181 PolarHBondContact O-N 3.09Å
182V92.7Very high93.5Very high4 Ų453.6 Ų53.62%0.02429%0.286CS..  trans-133.6143.6-178.9-61.40000109.7I127 I160 Q162 E179 L184 I187I127-V182 HydrophobicContact CD1-CB 4.42Å; I127-V182 HydrophobicContact CD1-CG2 3.9Å; I160-V182 HydrophobicContact CG2-CB 4.33Å; I160-V182 HydrophobicContact CG2-CG1 3.63Å; Q162-V182 HydrophobicContact CB-CG1 4.24Å; Q162-V182 HydrophobicContact CB-CG2 4.04Å; Q162-V182 HydrophobicContact CG-CG2 4.33Å; E179-V182 HydrophobicContact CB-CG1 4.19Å; V182-L184 HydrophobicContact CG2-CB 4.38Å; V182-L184 PolarHBondContact O-N 3.16Å; V182-I187 HydrophobicContact CB-CD1 4.18Å
183P92.6Very high94Very high42 Ų4246.5 Ų46.527%0.27325%0.248SC..  trans-75.267.8174.233-36.2000110.2L109 Y113 A185 A186 I187L109-P183 HydrophobicContact CD1-CG 4.33Å; Y113-P183 HydrophobicContact CD2-CG 3.84Å; Y113-P183 HydrophobicContact CE1-CG 4.46Å; Y113-P183 VanDerWaalsContact CE2-CD 3.45Å; Y113-P183 HydrophobicContact CE2-CG 3.49Å; Y113-P183 VanDerWaalsContact CE2-CG 3.49Å; Y113-P183 HydrophobicContact CG-CG 4.47Å; Y113-P183 WeakPolarHBondContact OH-CD 3.39Å; P183-A185 PolarHBondContact O-N 3.02Å; P183-A186 HydrophobicContact CB-CB 4.28Å; P183-A186 PolarHBondContact O-N 3.39Å; P183-I187 HydrophobicContact CG-CD1 4Å; P183-I187 HydrophobicContact CG-CG1 4.25Å; P183-I187 PolarHBondContact O-N 2.76Å; P183-I187 VanDerWaalsContact O-N 3.07Å
184L92.8Very high94.2Very high19 Ų1942.2 Ų42.210%0.09924%0.237CC..Hα-helixtrans-49.5-51-167.9178.962.3000112.8I127 V182 A186 I187 L188 F196I127-L184 HydrophobicContact CD1-CD1 3.57Å; I127-L184 HydrophobicContact CG1-CD1 4.16Å; I127-L184 HydrophobicContact CG2-CD1 4.5Å; V182-L184 HydrophobicContact CG2-CB 4.38Å; V182-L184 PolarHBondContact O-N 3.16Å; L184-A186 PolarHBondContact O-N 2.88Å; L184-I187 PolarHBondContact O-N 3.44Å; L184-L188 HydrophobicContact CD1-CD1 3.87Å; L184-L188 HydrophobicContact CD1-CD2 4.37Å; L184-L188 HydrophobicContact CD1-CG 3.91Å; L184-L188 HydrophobicContact CG-CD1 3.9Å; L184-L188 HydrophobicContact CG-CG 4.29Å; L184-L188 WeakPolarHBondContact O-CG 3.4Å; L184-L188 PolarHBondContact O-N 3.4Å; L184-F196 HydrophobicContact CD1-CD2 4.44Å; L184-F196 HydrophobicContact CD1-CE2 3.78Å; L184-F196 HydrophobicContact CD1-CZ 3.85Å; L184-F196 HydrophobicContact CD2-CZ 3.91Å; L184-F196 HydrophobicContact CG-CZ 4.44Å
185A91.8Very high94.5Very high22 Ų2237.1 Ų37.118%0.18220%0.201CC..Hα-helixtrans-60.1-42.8-179.200000112.6P104 P183 I187 L188 Q189 F211P104-A185 HydrophobicContact CB-CB 4.39Å; P104-A185 HydrophobicContact CG-CB 4.38Å; P183-A185 PolarHBondContact O-N 3.02Å; A185-I187 VanDerWaalsContact C-N 3.34Å; A185-I187 PolarHBondContact O-N 3.17Å; A185-L188 PolarHBondContact O-N 3.31Å; A185-Q189 WeakPolarHBondContact O-CB 3.41Å; A185-Q189 VanDerWaalsContact O-CD 3.31Å; A185-Q189 WeakPolarHBondContact O-CG 3.44Å; A185-Q189 PolarHBondContact O-N 3.27Å; A185-F211 HydrophobicContact CB-CE2 4.03Å; A185-F211 HydrophobicContact CB-CZ 4.34Å
186A93.6Very high94.6Very high10 Ų1036.7 Ų36.78%0.08320%0.199CC..Hα-helixtrans-67-36.5178.800000112A107 L109 P183 L184 H190A107-A186 HydrophobicContact CB-CB 4.3Å; L109-A186 HydrophobicContact CD1-CB 4.03Å; P183-A186 HydrophobicContact CB-CB 4.28Å; P183-A186 PolarHBondContact O-N 3.39Å; L184-A186 PolarHBondContact O-N 2.88Å; A186-H190 PolarHBondContact O-N 3.16Å
187I95.6Very high94.7Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-68.1-47.6175.7-65.4163.3000110.2L109 Y113 T125 I127 I160 V182 P183 L184 A185 Q189 H190 T193L109-I187 HydrophobicContact CD1-CG1 3.8Å; Y113-I187 HydrophobicContact CD1-CD1 4.28Å; Y113-I187 HydrophobicContact CE1-CD1 4.25Å; T125-I187 HydrophobicContact CG2-CG2 4.43Å; I127-I187 HydrophobicContact CB-CG2 4.17Å; I127-I187 HydrophobicContact CD1-CB 4.13Å; I127-I187 HydrophobicContact CD1-CD1 3.69Å; I127-I187 HydrophobicContact CD1-CG2 3.86Å; I127-I187 HydrophobicContact CG2-CG2 4.2Å; I160-I187 HydrophobicContact CD1-CD1 3.64Å; I160-I187 HydrophobicContact CD1-CG1 4.11Å; I160-I187 HydrophobicContact CD1-CG2 4.14Å; I160-I187 HydrophobicContact CG2-CD1 4.24Å; V182-I187 HydrophobicContact CB-CD1 4.18Å; P183-I187 HydrophobicContact CG-CD1 4Å; P183-I187 HydrophobicContact CG-CG1 4.25Å; P183-I187 PolarHBondContact O-N 2.76Å; P183-I187 VanDerWaalsContact O-N 3.07Å; L184-I187 PolarHBondContact O-N 3.44Å; A185-I187 VanDerWaalsContact C-N 3.34Å; A185-I187 PolarHBondContact O-N 3.17Å; I187-Q189 VanDerWaalsContact C-N 3.29Å; I187-Q189 PolarHBondContact O-N 3.39Å; I187-H190 VanDerWaalsContact O-CB 3.27Å; I187-H190 WeakPolarHBondContact O-CB 3.42Å; I187-H190 PolarHBondContact O-N 3.13Å; I187-T193 HydrophobicContact CG2-CG2 4.49Å; I187-T193 WeakPolarHBondContact O-CB 3.27Å; I187-T193 PolarHBondContact O-OG1 2.9Å
188L95.7Very high94.8Very high2 Ų234 Ų341%0.0119%0.186CC..Hα-helixtrans-63.5-33.3179.9-68.1179.3000113.1I127 L184 A185 H190 T193 F196 E207 F211 T213I127-L188 HydrophobicContact CG2-CD2 3.74Å; L184-L188 HydrophobicContact CD1-CD1 3.87Å; L184-L188 HydrophobicContact CD1-CD2 4.37Å; L184-L188 HydrophobicContact CD1-CG 3.91Å; L184-L188 HydrophobicContact CG-CD1 3.9Å; L184-L188 HydrophobicContact CG-CG 4.29Å; L184-L188 WeakPolarHBondContact O-CG 3.4Å; L184-L188 PolarHBondContact O-N 3.4Å; A185-L188 PolarHBondContact O-N 3.31Å; L188-H190 PolarHBondContact O-N 3.46Å; L188-T193 HydrophobicContact CD2-CG2 4.31Å; L188-F196 HydrophobicContact CD1-CD1 3.89Å; L188-F196 HydrophobicContact CD1-CE1 3.88Å; L188-F196 HydrophobicContact CD1-CZ 4.48Å; L188-F196 HydrophobicContact CD2-CB 3.7Å; L188-F196 HydrophobicContact CD2-CD1 3.83Å; L188-F196 HydrophobicContact CD2-CD2 4.24Å; L188-F196 HydrophobicContact CD2-CE1 4.5Å; L188-F196 HydrophobicContact CD2-CG 3.68Å; L188-E207 HydrophobicContact CD1-CB 3.94Å; L188-F211 HydrophobicContact CB-CB 4.03Å; L188-F211 HydrophobicContact CB-CD2 3.58Å; L188-F211 HydrophobicContact CB-CE2 4.45Å; L188-F211 HydrophobicContact CB-CG 4.15Å; L188-F211 HydrophobicContact CD1-CD2 4.21Å; L188-F211 WeakPolarHBondContact O-CB 3.49Å; L188-T213 HydrophobicContact CD2-CG2 3.93Å; L188-T213 PolarHBondContact O-OG1 2.97Å
189Q93.1Very high94.8Very high42 Ų4232.5 Ų32.520%0.19618%0.178CC..Hα-helixtrans-69-19.7175-74166.522.800113.6K105 A185 I187 F211K105-Q189 PolarHBondContact O-NE2 3.01Å; A185-Q189 WeakPolarHBondContact O-CB 3.41Å; A185-Q189 VanDerWaalsContact O-CD 3.31Å; A185-Q189 WeakPolarHBondContact O-CG 3.44Å; A185-Q189 PolarHBondContact O-N 3.27Å; I187-Q189 VanDerWaalsContact C-N 3.29Å; I187-Q189 PolarHBondContact O-N 3.39Å; Q189-F211 HydrophobicContact CB-CD1 4.35Å; Q189-F211 HydrophobicContact CG-CD1 3.22Å; Q189-F211 HydrophobicContact CG-CD2 4.1Å; Q189-F211 HydrophobicContact CG-CE1 3.19Å; Q189-F211 HydrophobicContact CG-CE2 4.07Å; Q189-F211 HydrophobicContact CG-CG 3.68Å; Q189-F211 HydrophobicContact CG-CZ 3.62Å; Q189-F211 VanDerWaalsContact NE2-CE1 3.27Å
190H95.1Very high94.9Very high28 Ų2830.8 Ų30.813%0.1317%0.17CC..SBendtrans-70.8130.9-173.9-164.9-84.4000111V117 E118 A186 I187 L188 K192 T193V117-H190 HydrophobicContact CG1-CB 4.21Å; V117-H190 VanDerWaalsContact CG1-ND1 3.3Å; V117-H190 WeakPolarHBondContact CG1-ND1 3.45Å; E118-H190 IonicContact OE1-CE1 2.76Å; E118-H190 IonicContact OE1-NE2 2.63Å; E118-H190 PolarHBondContact OE1-NE2 3.12Å; A186-H190 PolarHBondContact O-N 3.16Å; I187-H190 VanDerWaalsContact O-CB 3.27Å; I187-H190 WeakPolarHBondContact O-CB 3.42Å; I187-H190 PolarHBondContact O-N 3.13Å; L188-H190 PolarHBondContact O-N 3.46Å; H190-K192 WeakPolarHBondContact ND1-CB 3.41Å; H190-K192 PolarHBondContact ND1-N 3.5Å; H190-K192 VanDerWaalsContact ND1-N 3.19Å; H190-K192 PolarHBondContact O-N 3.08Å; H190-T193 WeakPolarHBondContact O-CB 3.32Å; H190-T193 PolarHBondContact O-N 3.1Å; H190-T193 PolarHBondContact O-OG1 3.45Å
191P93.6Very high95Very high121 Ų12127 Ų2779%0.78615%0.145SC*.THydrogen-bonded Turntrans-59.3-25.6-176.1-26.734.6000115.1T193P191-T193 VanDerWaalsContact C-N 3.3Å
192K95.6Very high95Very high88 Ų8822 Ų2238%0.38313%0.129SC..THydrogen-bonded Turntrans-77.7-9.1176-71-81.1-172162.90113.8V117 G124 T125 H190 A194V117-K192 HydrophobicContact CG1-CB 4.31Å; G124-K192 CarbonylContact C-O 3.57Å; G124-K192 VanDerWaalsContact CA-O 3.29Å; G124-K192 WeakPolarHBondContact CA-O 3.38Å; T125-K192 PolarHBondContact N-O 3.3Å; H190-K192 WeakPolarHBondContact ND1-CB 3.41Å; H190-K192 PolarHBondContact ND1-N 3.5Å; H190-K192 VanDerWaalsContact ND1-N 3.19Å; H190-K192 PolarHBondContact O-N 3.08Å; K192-A194 PolarHBondContact O-N 3.43Å
193T97.2Very high95Very high2 Ų226 Ų261%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-75.2115179.7-59.70000110.1T125 I127 I187 L188 H190 P191 T213T125-T193 CarbonylContact O-C 3.51Å; T125-T193 WeakPolarHBondContact O-CA 3.44Å; I127-T193 HydrophobicContact CG2-CG2 4.34Å; I187-T193 HydrophobicContact CG2-CG2 4.49Å; I187-T193 WeakPolarHBondContact O-CB 3.27Å; I187-T193 PolarHBondContact O-OG1 2.9Å; L188-T193 HydrophobicContact CD2-CG2 4.31Å; H190-T193 WeakPolarHBondContact O-CB 3.32Å; H190-T193 PolarHBondContact O-N 3.1Å; H190-T193 PolarHBondContact O-OG1 3.45Å; P191-T193 VanDerWaalsContact C-N 3.3Å; T193-T213 HydrophobicContact CG2-CG2 3.95Å
194A97.7Very high95Very high24 Ų2424.2 Ų24.220%0.19814%0.135CC..EExtended strand (participates in β ladder)trans-95.6-41.8-17100000112.4T125 K192 P214T125-A194 PolarHBondContact O-N 3.13Å; K192-A194 PolarHBondContact O-N 3.43Å; A194-P214 WeakPolarHBondContact O-CD 3.46Å
195V98.6Very high95.1Very high0 Ų023.4 Ų23.40%013%0.13CC..EExtended strand (participates in β ladder)trans-143.7136.5-174.2-176.30000111.1M126 I127 I197 P214 V216 V257 A258M126-V195 WeakPolarHBondContact CA-O 3.4Å; M126-V195 HydrophobicContact CE-CG2 4.34Å; M126-V195 HydrophobicContact CG-CB 4.19Å; I127-V195 PolarHBondContact N-O 3.39Å; V195-I197 HydrophobicContact CG1-CG1 4.15Å; V195-P214 WeakPolarHBondContact CA-O 3.38Å; V195-V216 HydrophobicContact CG1-CB 4.47Å; V195-V216 HydrophobicContact CG1-CG2 3.75Å; V195-V257 HydrophobicContact CG1-CG1 4.22Å; V195-V257 HydrophobicContact CG2-CG1 4.16Å; V195-A258 HydrophobicContact CG2-CB 3.62Å
196F98.6Very high95.2Very high0 Ų022.6 Ų22.60%012%0.123CC..EExtended strand (participates in β ladder)trans-108.6108.3169.2-178.7-160.2000110.5I127 L184 L188 T198 A208 T213 P214 V215 V216I127-F196 HydrophobicContact CG2-CB 4.34Å; I127-F196 HydrophobicContact CG2-CD2 3.85Å; I127-F196 HydrophobicContact CG2-CG 4.36Å; I127-F196 CarbonylContact O-C 3.5Å; L184-F196 HydrophobicContact CD1-CD2 4.44Å; L184-F196 HydrophobicContact CD1-CE2 3.78Å; L184-F196 HydrophobicContact CD1-CZ 3.85Å; L184-F196 HydrophobicContact CD2-CZ 3.91Å; L184-F196 HydrophobicContact CG-CZ 4.44Å; L188-F196 HydrophobicContact CD1-CD1 3.89Å; L188-F196 HydrophobicContact CD1-CE1 3.88Å; L188-F196 HydrophobicContact CD1-CZ 4.48Å; L188-F196 HydrophobicContact CD2-CB 3.7Å; L188-F196 HydrophobicContact CD2-CD1 3.83Å; L188-F196 HydrophobicContact CD2-CD2 4.24Å; L188-F196 HydrophobicContact CD2-CE1 4.5Å; L188-F196 HydrophobicContact CD2-CG 3.68Å; F196-T198 HydrophobicContact CD1-CG2 3.92Å; F196-T198 HydrophobicContact CD2-CG2 4.23Å; F196-T198 HydrophobicContact CE1-CG2 3.74Å; F196-T198 VanDerWaalsContact CE2-CB 3.48Å; F196-T198 HydrophobicContact CE2-CG2 4.07Å; F196-T198 HydrophobicContact CG-CG2 4.16Å; F196-T198 VanDerWaalsContact CZ-CB 3.5Å; F196-T198 HydrophobicContact CZ-CG2 3.81Å; F196-A208 HydrophobicContact CD1-CB 4.08Å; F196-T213 HydrophobicContact CB-CG2 3.76Å; F196-P214 PolarHBondContact N-O 2.96Å; F196-V215 HydrophobicContact CB-CG1 4.39Å; F196-V215 HydrophobicContact CD1-CG1 4.45Å; F196-V215 CarbonylContact O-C 3.54Å; F196-V215 VanDerWaalsContact O-CA 3.23Å; F196-V215 WeakPolarHBondContact O-CA 3.42Å; F196-V216 PolarHBondContact O-N 2.93Å
197I98.6Very high95.2Very high1 Ų122.2 Ų22.21%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-87.9117.6174.5-53.3138.4000108I127 L128 S129 F151 V195 V216 V218 L250 I254I127-I197 PolarHBondContact O-N 2.79Å; L128-I197 VanDerWaalsContact CA-O 3.3Å; L128-I197 WeakPolarHBondContact CA-O 3.32Å; L128-I197 HydrophobicContact CB-CB 4.07Å; L128-I197 HydrophobicContact CB-CD1 4.3Å; L128-I197 HydrophobicContact CD1-CB 4.16Å; L128-I197 HydrophobicContact CD1-CG2 3.66Å; L128-I197 HydrophobicContact CG-CB 4.01Å; L128-I197 HydrophobicContact CG-CG2 3.93Å; S129-I197 PolarHBondContact N-O 3.26Å; F151-I197 HydrophobicContact CE1-CD1 3.91Å; F151-I197 HydrophobicContact CZ-CD1 4.02Å; V195-I197 HydrophobicContact CG1-CG1 4.15Å; I197-V216 WeakPolarHBondContact CA-O 3.08Å; I197-V216 HydrophobicContact CB-CB 4.44Å; I197-V216 HydrophobicContact CG1-CB 4.05Å; I197-V216 HydrophobicContact CG1-CG2 4.5Å; I197-V216 HydrophobicContact CG2-CB 4.32Å; I197-V216 HydrophobicContact CG2-CG1 4.37Å; I197-V218 HydrophobicContact CG2-CG2 4.46Å; I197-L250 HydrophobicContact CG2-CD1 4.42Å; I197-I254 HydrophobicContact CD1-CD1 3.65Å; I197-I254 HydrophobicContact CD1-CG1 4.06Å; I197-I254 HydrophobicContact CG1-CD1 4.15Å; I197-I254 HydrophobicContact CG1-CG1 4.09Å
198T97.7Very high95.3Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-155156.4-173.5-171.10000112.7S129 F196 T200 V216 S217 V218S129-T198 VanDerWaalsContact O-CB 3.28Å; S129-T198 WeakPolarHBondContact O-CB 3.3Å; S129-T198 PolarHBondContact O-OG1 3.2Å; F196-T198 HydrophobicContact CD1-CG2 3.92Å; F196-T198 HydrophobicContact CD2-CG2 4.23Å; F196-T198 HydrophobicContact CE1-CG2 3.74Å; F196-T198 VanDerWaalsContact CE2-CB 3.48Å; F196-T198 HydrophobicContact CE2-CG2 4.07Å; F196-T198 HydrophobicContact CG-CG2 4.16Å; F196-T198 VanDerWaalsContact CZ-CB 3.5Å; F196-T198 HydrophobicContact CZ-CG2 3.81Å; T198-T200 HydrophobicContact CG2-CG2 3.65Å; T198-T200 PolarHBondContact O-N 2.03Å; T198-T200 VanDerWaalsContact O-N 3.14Å; T198-T200 PolarHBondContact OG1-N 3.07Å; T198-V216 PolarHBondContact N-O 3.44Å; T198-S217 CarbonylContact O-C 3.6Å; T198-S217 VanDerWaalsContact O-CA 3.24Å; T198-S217 WeakPolarHBondContact O-CA 3.45Å; T198-V218 PolarHBondContact O-N 3.12Å
199H95.6Very high95.3Very high4 Ų422.2 Ų22.22%0.01912%0.12CC..  trans-60.4-11.1165.468.7-47.5000114.6F130 G201 V218 V220 Q224F130-H199 VanDerWaalsContact C-CE1 3.48Å; F130-H199 WeakPolarHBondContact CA-ND1 3.16Å; F130-H199 HydrophobicContact CD1-CB 4.2Å; F130-H199 VanDerWaalsContact CD1-N 3.34Å; F130-H199 HydrophobicContact CD2-CB 4.4Å; F130-H199 HydrophobicContact CG-CB 4.12Å; F130-H199 PolarHBondContact O-CE1 2.92Å; H199-G201 VanDerWaalsContact C-N 3.29Å; H199-G201 PolarHBondContact O-N 3.25Å; H199-V218 WeakPolarHBondContact CA-O 3.49Å; H199-V220 HydrophobicContact CB-CG2 4.19Å; H199-Q224 HydrophobicContact CB-CG 4.4Å; H199-Q224 PolarHBondContact CD2-NE2 2.86Å; H199-Q224 VanDerWaalsContact O-CB 3.22Å; H199-Q224 WeakPolarHBondContact O-CB 3.2Å
200T95.3Very high95.3Very high0 Ų020.9 Ų20.90%012%0.115CC..  trans54.740-176.547.90000113.5T198 S217 Q224 S227 S228T198-T200 HydrophobicContact CG2-CG2 3.65Å; T198-T200 PolarHBondContact O-N 2.03Å; T198-T200 VanDerWaalsContact O-N 3.14Å; T198-T200 PolarHBondContact OG1-N 3.07Å; T200-S217 WeakPolarHBondContact CG2-OG 3.3Å; T200-Q224 PolarHBondContact OG1-O 3.33Å; T200-S227 WeakPolarHBondContact O-CB 3.43Å; T200-S227 PolarHBondContact O-OG 3.07Å; T200-S228 WeakPolarHBondContact OG1-CB 3.34Å
201G93.4Very high95.3Very high8 Ų821 Ų218%0.08212%0.115CC..  trans-52.9150.8160.500000110H199 K203 S204 F205H199-G201 VanDerWaalsContact C-N 3.29Å; H199-G201 PolarHBondContact O-N 3.25Å; G201-K203 PolarHBondContact O-N 3.15Å; G201-S204 WeakPolarHBondContact O-CA 3.26Å; G201-S204 PolarHBondContact O-N 3.03Å; G201-F205 PolarHBondContact O-N 3.28Å
202I90.9Very high95.4Very high45 Ų4515.9 Ų15.923%0.2318%0.083CC..Hα-helixtrans-50.3-39.6-169.1-166.2158.5000113.9S81 L82 F205 L206 D223S81-I202 WeakPolarHBondContact OG-CD1 3.07Å; L82-I202 HydrophobicContact CB-CD1 4.41Å; I202-F205 PolarHBondContact O-N 3.24Å; I202-L206 HydrophobicContact CG1-CD1 4.29Å; I202-L206 WeakPolarHBondContact O-CD1 3Å; I202-L206 VanDerWaalsContact O-CG 3.26Å; I202-L206 WeakPolarHBondContact O-CG 3.28Å; I202-L206 PolarHBondContact O-N 2.95Å; I202-D223 WeakPolarHBondContact CB-OD2 3.41Å; I202-D223 PolarHBondContact N-OD2 3.46Å
203K91Very high95.5Very high89 Ų8911.7 Ų11.739%0.3877%0.065SC..Hα-helixtrans-64.7-48175.4-178.6178.9173.8-73.30112.4Y101 G201 F205 L206 E207Y101-K203 HydrophobicContact CD1-CG 4.23Å; Y101-K203 HydrophobicContact CD2-CD 4.37Å; Y101-K203 HydrophobicContact CD2-CG 4.39Å; Y101-K203 HydrophobicContact CE1-CG 4.37Å; Y101-K203 HydrophobicContact CE2-CD 4.31Å; Y101-K203 VanDerWaalsContact CE2-CE 3.47Å; Y101-K203 HydrophobicContact CG-CG 4.21Å; Y101-K203 VanDerWaalsContact CZ-CE 3.46Å; G201-K203 PolarHBondContact O-N 3.15Å; K203-F205 VanDerWaalsContact C-N 3.3Å; K203-F205 PolarHBondContact O-N 3.22Å; K203-L206 PolarHBondContact O-N 3.24Å; K203-E207 IonicContact NZ-OE1 2.78Å; K203-E207 PolarHBondContact NZ-OE1 3.27Å; K203-E207 IonicContact NZ-OE2 3.2Å; K203-E207 PolarHBondContact NZ-OE2 3.43Å; K203-E207 WeakPolarHBondContact O-CG 3.32Å; K203-E207 PolarHBondContact O-N 3.1Å
204S93.7Very high95.6Very high4 Ų411.8 Ų11.83%0.0287%0.065CC..Hα-helixtrans-64.9-36.3178.8-62.30000111.9G201 E207 A208G201-S204 WeakPolarHBondContact O-CA 3.26Å; G201-S204 PolarHBondContact O-N 3.03Å; S204-E207 PolarHBondContact O-N 3.4Å; S204-A208 WeakPolarHBondContact O-CB 3.27Å; S204-A208 PolarHBondContact O-N 3.04Å
205F95.3Very high95.7Very high2 Ų210.7 Ų10.71%0.0096%0.056CC..Hα-helixtrans-60.2-47.8171.9174.2-91.6000111.2L82 L86 G201 I202 K203 A208 V209 S227 L230 A231 F236L82-F205 HydrophobicContact CD1-CD1 3.91Å; L82-F205 HydrophobicContact CD1-CE1 3.53Å; L86-F205 HydrophobicContact CB-CE1 4.13Å; L86-F205 HydrophobicContact CB-CZ 4.46Å; L86-F205 HydrophobicContact CD1-CE1 3.92Å; L86-F205 HydrophobicContact CG-CE1 4.47Å; G201-F205 PolarHBondContact O-N 3.28Å; I202-F205 PolarHBondContact O-N 3.24Å; K203-F205 VanDerWaalsContact C-N 3.3Å; K203-F205 PolarHBondContact O-N 3.22Å; F205-A208 WeakPolarHBondContact O-CB 3.03Å; F205-A208 PolarHBondContact O-N 3.41Å; F205-V209 HydrophobicContact CE1-CG2 4.23Å; F205-V209 HydrophobicContact CZ-CG2 4.3Å; F205-V209 WeakPolarHBondContact O-CG2 3.22Å; F205-V209 PolarHBondContact O-N 3Å; F205-V209 VanDerWaalsContact O-N 3.13Å; F205-S227 WeakPolarHBondContact CD2-O 3.4Å; F205-S227 WeakPolarHBondContact CE2-O 3.38Å; F205-L230 HydrophobicContact CE2-CB 4.19Å; F205-L230 HydrophobicContact CZ-CB 4.1Å; F205-A231 HydrophobicContact CD2-CB 4.18Å; F205-A231 HydrophobicContact CE2-CB 3.86Å; F205-F236 AromaticContact CE2-CD2 3.94Å; F205-F236 HydrophobicContact CE2-CD2 3.94Å; F205-F236 HydrophobicContact CE2-CE2 4.11Å; F205-F236 HydrophobicContact CZ-CD2 4.13Å; F205-F236 AromaticContact CZ-CE2 3.82Å; F205-F236 HydrophobicContact CZ-CE2 3.82Å
206L93.7Very high95.7Very high4 Ų410.7 Ų10.72%0.0216%0.056CC..Hα-helixtrans-64.9-42.1177.2-68.5162.1000112.3L82 P83 L86 D100 I202 K203 A208 V209 C210L82-L206 HydrophobicContact CD1-CD2 4.14Å; P83-L206 HydrophobicContact CG-CD2 4.41Å; L86-L206 HydrophobicContact CD1-CD2 3.89Å; D100-L206 VanDerWaalsContact OD1-CD1 3.27Å; D100-L206 WeakPolarHBondContact OD1-CD1 3.37Å; D100-L206 WeakPolarHBondContact OD2-CD1 3.44Å; I202-L206 HydrophobicContact CG1-CD1 4.29Å; I202-L206 WeakPolarHBondContact O-CD1 3Å; I202-L206 VanDerWaalsContact O-CG 3.26Å; I202-L206 WeakPolarHBondContact O-CG 3.28Å; I202-L206 PolarHBondContact O-N 2.95Å; K203-L206 PolarHBondContact O-N 3.24Å; L206-A208 VanDerWaalsContact C-N 3.28Å; L206-A208 PolarHBondContact O-N 3.35Å; L206-V209 PolarHBondContact O-N 2.94Å; L206-C210 VanDerWaalsContact O-CB 3.28Å; L206-C210 WeakPolarHBondContact O-CB 3.36Å; L206-C210 PolarHBondContact O-N 3.48Å; L206-C210 PolarHBondContact O-SG 2.92Å
207E93.7Very high95.6Very high3 Ų310.7 Ų10.71%0.0146%0.056CC..Hα-helixtrans-59.1-40.7175.3-76.8174.9137.800111.8Y101 L188 K203 S204 V209 C210 F211Y101-E207 HydrophobicContact CD1-CG 4.16Å; Y101-E207 HydrophobicContact CE1-CG 3.57Å; Y101-E207 PolarHBondContact OH-OE1 2.86Å; L188-E207 HydrophobicContact CD1-CB 3.94Å; K203-E207 IonicContact NZ-OE1 2.78Å; K203-E207 PolarHBondContact NZ-OE1 3.27Å; K203-E207 IonicContact NZ-OE2 3.2Å; K203-E207 PolarHBondContact NZ-OE2 3.43Å; K203-E207 WeakPolarHBondContact O-CG 3.32Å; K203-E207 PolarHBondContact O-N 3.1Å; S204-E207 PolarHBondContact O-N 3.4Å; E207-V209 PolarHBondContact O-N 3.35Å; E207-C210 PolarHBondContact O-N 3.44Å; E207-F211 HydrophobicContact CB-CD2 4.46Å; E207-F211 HydrophobicContact CB-CE2 4.43Å; E207-F211 HydrophobicContact CG-CE2 4.47Å; E207-F211 WeakPolarHBondContact O-CD2 3.08Å; E207-F211 PolarHBondContact O-N 2.79Å
208A96.3Very high95.5Very high2 Ų210.9 Ų10.92%0.0176%0.057CC..Hα-helixtrans-60-46.1174.900000111.8F196 S204 F205 L206 A212 T213 V215 I267F196-A208 HydrophobicContact CD1-CB 4.08Å; S204-A208 WeakPolarHBondContact O-CB 3.27Å; S204-A208 PolarHBondContact O-N 3.04Å; F205-A208 WeakPolarHBondContact O-CB 3.03Å; F205-A208 PolarHBondContact O-N 3.41Å; L206-A208 VanDerWaalsContact C-N 3.28Å; L206-A208 PolarHBondContact O-N 3.35Å; A208-A212 CarbonylContact O-C 3.56Å; A208-A212 WeakPolarHBondContact O-CA 3.03Å; A208-A212 PolarHBondContact O-N 2.93Å; A208-T213 PolarHBondContact O-N 2.9Å; A208-V215 HydrophobicContact CB-CG1 3.39Å; A208-I267 HydrophobicContact CB-CD1 4.3Å; A208-I267 VanDerWaalsContact O-CD1 3.27Å; A208-I267 WeakPolarHBondContact O-CD1 3.19Å
209V96.2Very high95.4Very high0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-68.4-45.8177.9-177.60000111.2L86 F205 L206 E207 F211 A212 F236 I267 F270 S271 I274L86-V209 HydrophobicContact CD1-CB 4.43Å; L86-V209 HydrophobicContact CD1-CG1 4.19Å; L86-V209 HydrophobicContact CD1-CG2 4.27Å; L86-V209 HydrophobicContact CD2-CG1 3.94Å; L86-V209 HydrophobicContact CD2-CG2 4.17Å; F205-V209 HydrophobicContact CE1-CG2 4.23Å; F205-V209 HydrophobicContact CZ-CG2 4.3Å; F205-V209 WeakPolarHBondContact O-CG2 3.22Å; F205-V209 PolarHBondContact O-N 3Å; F205-V209 VanDerWaalsContact O-N 3.13Å; L206-V209 PolarHBondContact O-N 2.94Å; E207-V209 PolarHBondContact O-N 3.35Å; V209-F211 VanDerWaalsContact C-N 3.27Å; V209-F211 PolarHBondContact O-N 3.35Å; V209-A212 PolarHBondContact O-N 2.89Å; V209-A212 VanDerWaalsContact O-N 3.08Å; V209-F236 HydrophobicContact CG2-CD2 3.93Å; V209-F236 HydrophobicContact CG2-CE2 3.55Å; V209-F236 HydrophobicContact CG2-CZ 4.19Å; V209-I267 HydrophobicContact CG2-CD1 4.46Å; V209-I267 HydrophobicContact CG2-CG1 4.42Å; V209-F270 HydrophobicContact CG1-CB 4.26Å; V209-S271 WeakPolarHBondContact O-CB 3.31Å; V209-S271 PolarHBondContact O-OG 3.37Å; V209-S271 VanDerWaalsContact O-OG 3.12Å; V209-I274 HydrophobicContact CB-CD1 4.2Å; V209-I274 HydrophobicContact CG1-CD1 3.53Å; V209-I274 HydrophobicContact CG1-CG1 4.07Å; V209-I274 HydrophobicContact CG1-CG2 4.43Å
210C93.4Very high95.2Very high14 Ų1413.3 Ų13.310%0.0957%0.072CC..Hα-helixtrans-53.5-44.4177.9-75.50000111.9C103 L206 E207 S271C103-C210 WeakPolarHBondContact CA-SG 3.45Å; C103-C210 HydrophobicContact CB-CB 3.56Å; C103-C210 WeakPolarHBondContact CB-SG 3.47Å; C103-C210 VanDerWaalsContact SG-CA 3.58Å; C103-C210 WeakPolarHBondContact SG-CB 3.42Å; C103-C210 CovalentContact SG-SG 2.03Å; C103-C210 PolarHBondContact SG-SG 2.61Å; L206-C210 VanDerWaalsContact O-CB 3.28Å; L206-C210 WeakPolarHBondContact O-CB 3.36Å; L206-C210 PolarHBondContact O-N 3.48Å; L206-C210 PolarHBondContact O-SG 2.92Å; E207-C210 PolarHBondContact O-N 3.44Å; C210-S271 PolarHBondContact O-OG 2.65Å; C210-S271 VanDerWaalsContact O-OG 3.1Å
211F94.7Very high94.9Very high31 Ų3118.2 Ų18.214%0.1369%0.094CC..THydrogen-bonded Turntrans-100.515.3-178.8-52.2-48.5000113.6P104 A185 L188 Q189 E207 V209 T213P104-F211 HydrophobicContact CB-CZ 3.84Å; P104-F211 VanDerWaalsContact CD-CZ 3.43Å; P104-F211 HydrophobicContact CG-CE2 4.22Å; P104-F211 HydrophobicContact CG-CZ 3.76Å; A185-F211 HydrophobicContact CB-CE2 4.03Å; A185-F211 HydrophobicContact CB-CZ 4.34Å; L188-F211 HydrophobicContact CB-CB 4.03Å; L188-F211 HydrophobicContact CB-CD2 3.58Å; L188-F211 HydrophobicContact CB-CE2 4.45Å; L188-F211 HydrophobicContact CB-CG 4.15Å; L188-F211 HydrophobicContact CD1-CD2 4.21Å; L188-F211 WeakPolarHBondContact O-CB 3.49Å; Q189-F211 HydrophobicContact CB-CD1 4.35Å; Q189-F211 HydrophobicContact CG-CD1 3.22Å; Q189-F211 HydrophobicContact CG-CD2 4.1Å; Q189-F211 HydrophobicContact CG-CE1 3.19Å; Q189-F211 HydrophobicContact CG-CE2 4.07Å; Q189-F211 HydrophobicContact CG-CG 3.68Å; Q189-F211 HydrophobicContact CG-CZ 3.62Å; Q189-F211 VanDerWaalsContact NE2-CE1 3.27Å; E207-F211 HydrophobicContact CB-CD2 4.46Å; E207-F211 HydrophobicContact CB-CE2 4.43Å; E207-F211 HydrophobicContact CG-CE2 4.47Å; E207-F211 WeakPolarHBondContact O-CD2 3.08Å; E207-F211 PolarHBondContact O-N 2.79Å; V209-F211 VanDerWaalsContact C-N 3.27Å; V209-F211 PolarHBondContact O-N 3.35Å; F211-T213 PolarHBondContact O-N 3.05Å; F211-T213 VanDerWaalsContact O-N 3.09Å; F211-T213 PolarHBondContact O-OG1 3.37Å
212A96.9Very high94.7Very high12 Ų1220.6 Ų20.610%0.09912%0.118CC..THydrogen-bonded Turntrans46.841.6177.700000113.6A208 V209 K264 I267 I268A208-A212 CarbonylContact O-C 3.56Å; A208-A212 WeakPolarHBondContact O-CA 3.03Å; A208-A212 PolarHBondContact O-N 2.93Å; V209-A212 PolarHBondContact O-N 2.89Å; V209-A212 VanDerWaalsContact O-N 3.08Å; A212-K264 WeakPolarHBondContact O-CD 3.35Å; A212-K264 VanDerWaalsContact O-CE 3.3Å; A212-K264 WeakPolarHBondContact O-CE 3.22Å; A212-K264 PolarHBondContact O-NZ 3.39Å; A212-I267 VanDerWaalsContact C-CG2 3.43Å; A212-I267 HydrophobicContact CB-CG2 4.24Å; A212-I267 VanDerWaalsContact O-CG2 3.32Å; A212-I267 WeakPolarHBondContact O-CG2 3.08Å; A212-I268 HydrophobicContact CB-CB 4.37Å; A212-I268 HydrophobicContact CB-CG1 3.69Å
213T97.9Very high94.5Very high1 Ų121.9 Ų21.91%0.00613%0.125CC..  trans-102.3115.4-178.7-62.20000110.8L188 T193 F196 A208 F211 I267L188-T213 HydrophobicContact CD2-CG2 3.93Å; L188-T213 PolarHBondContact O-OG1 2.97Å; T193-T213 HydrophobicContact CG2-CG2 3.95Å; F196-T213 HydrophobicContact CB-CG2 3.76Å; A208-T213 PolarHBondContact O-N 2.9Å; F211-T213 PolarHBondContact O-N 3.05Å; F211-T213 VanDerWaalsContact O-N 3.09Å; F211-T213 PolarHBondContact O-OG1 3.37Å; T213-I267 WeakPolarHBondContact O-CD1 3.3Å
214P98.7Very high94.6Very high3 Ų317.7 Ų17.72%0.01911%0.107CC..  trans-53.1147.5176.1-29.337.1000113.2A194 V195 F196 F236 V257 K264 I267A194-P214 WeakPolarHBondContact O-CD 3.46Å; V195-P214 WeakPolarHBondContact CA-O 3.38Å; F196-P214 PolarHBondContact N-O 2.96Å; P214-F236 CarbonylContact C-O 3.57Å; P214-F236 VanDerWaalsContact CA-O 3.27Å; P214-F236 WeakPolarHBondContact CA-O 3.39Å; P214-V257 HydrophobicContact CB-CG1 3.49Å; P214-V257 VanDerWaalsContact CB-CG1 3.49Å; P214-K264 HydrophobicContact CG-CB 3.91Å; P214-K264 HydrophobicContact CG-CD 3.87Å; P214-I267 HydrophobicContact CG-CG2 4.25Å
215V98.6Very high94.6Very high1 Ų119.8 Ų19.81%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-116145-172.2-620000113.7F196 A208 A231 F236 G237 I238F196-V215 HydrophobicContact CB-CG1 4.39Å; F196-V215 HydrophobicContact CD1-CG1 4.45Å; F196-V215 CarbonylContact O-C 3.54Å; F196-V215 VanDerWaalsContact O-CA 3.23Å; F196-V215 WeakPolarHBondContact O-CA 3.42Å; A208-V215 HydrophobicContact CB-CG1 3.39Å; V215-A231 HydrophobicContact CG2-CB 3.74Å; V215-F236 HydrophobicContact CG2-CB 4.22Å; V215-F236 PolarHBondContact N-O 3.2Å; V215-G237 WeakPolarHBondContact O-CA 3.46Å; V215-I238 PolarHBondContact O-N 3.24Å
216V98.7Very high94.4Very high0 Ų022.4 Ų22.40%013%0.13CC..EExtended strand (participates in β ladder)trans-110.4108.5157.9175.40000106.6V195 F196 I197 T198 L240 L250 T253 I254 V257V195-V216 HydrophobicContact CG1-CB 4.47Å; V195-V216 HydrophobicContact CG1-CG2 3.75Å; F196-V216 PolarHBondContact O-N 2.93Å; I197-V216 WeakPolarHBondContact CA-O 3.08Å; I197-V216 HydrophobicContact CB-CB 4.44Å; I197-V216 HydrophobicContact CG1-CB 4.05Å; I197-V216 HydrophobicContact CG1-CG2 4.5Å; I197-V216 HydrophobicContact CG2-CB 4.32Å; I197-V216 HydrophobicContact CG2-CG1 4.37Å; T198-V216 PolarHBondContact N-O 3.44Å; V216-L240 HydrophobicContact CG1-CD1 3.86Å; V216-L240 HydrophobicContact CG1-CG 4.4Å; V216-L250 HydrophobicContact CG1-CD1 4.29Å; V216-T253 HydrophobicContact CG1-CG2 3.83Å; V216-T253 HydrophobicContact CG2-CG2 4.02Å; V216-I254 HydrophobicContact CG2-CG1 4.16Å; V216-V257 HydrophobicContact CG2-CB 4.08Å; V216-V257 HydrophobicContact CG2-CG1 4.41Å; V216-V257 HydrophobicContact CG2-CG2 3.92Å
217S97.8Very high94.4Very high0 Ų022.4 Ų22.40%013%0.13CC..EExtended strand (participates in β ladder)trans-89.5125.2-173-52.70000110.6T198 T200 S228 I238 R239 L240T198-S217 CarbonylContact O-C 3.6Å; T198-S217 VanDerWaalsContact O-CA 3.24Å; T198-S217 WeakPolarHBondContact O-CA 3.45Å; T200-S217 WeakPolarHBondContact CG2-OG 3.3Å; S217-S228 VanDerWaalsContact CB-CB 3.48Å; S217-I238 PolarHBondContact N-O 2.97Å; S217-R239 CarbonylContact O-C 3.58Å; S217-R239 WeakPolarHBondContact O-CA 3.43Å; S217-L240 PolarHBondContact O-N 3.2Å
218V96.6Very high94.5Very high5 Ų522.3 Ų22.33%0.0313%0.129CC..  trans-12571.7174.2-170.30000108.6F130 I197 T198 H199 V220 L240 K242 L245F130-V218 HydrophobicContact CE1-CB 4.48Å; F130-V218 HydrophobicContact CZ-CB 3.87Å; F130-V218 HydrophobicContact CZ-CG1 4.27Å; I197-V218 HydrophobicContact CG2-CG2 4.46Å; T198-V218 PolarHBondContact O-N 3.12Å; H199-V218 WeakPolarHBondContact CA-O 3.49Å; V218-V220 PolarHBondContact O-N 3.28Å; V218-L240 HydrophobicContact CG2-CB 4.34Å; V218-K242 HydrophobicContact CG1-CB 4.23Å; V218-L245 HydrophobicContact CG1-CD1 4.47Å; V218-L245 HydrophobicContact CG1-CD2 4.25Å
219P94.8Very high94.5Very high11 Ų1122.3 Ų22.37%0.07113%0.129CC..  trans-60.6135.7-176.128.1-37.4000111.3Q224 V225 R239 L240P219-Q224 HydrophobicContact CB-CB 3.81Å; P219-V225 HydrophobicContact CB-CG2 4Å; P219-V225 HydrophobicContact CG-CG2 4.44Å; P219-R239 HydrophobicContact CG-CG 4.22Å; P219-L240 WeakPolarHBondContact CD-O 3.48Å
220V91.9Very high94.4Very high44 Ų4422.5 Ų22.527%0.26713%0.13SC..  trans-98.9-47.7179.8-169.40000111F130 H199 V218 K242F130-V220 HydrophobicContact CD2-CG2 4.21Å; F130-V220 HydrophobicContact CE2-CG2 4.13Å; H199-V220 HydrophobicContact CB-CG2 4.19Å; V218-V220 PolarHBondContact O-N 3.28Å; V220-K242 HydrophobicContact CG1-CD 4.43Å; V220-K242 PolarHBondContact O-NZ 3.4Å
221F88.5Confident94.6Very high104 Ų10421.8 Ų21.846%0.45613%0.126SC..SBendtrans-165.8166.6179.265.8-86.5000113.1F133 Q224F133-F221 HydrophobicContact CB-CZ 4.48Å; F133-F221 HydrophobicContact CD1-CE2 4.5Å; F133-F221 AromaticContact CD1-CZ 3.7Å; F133-F221 HydrophobicContact CD1-CZ 3.7Å; F133-F221 HydrophobicContact CE1-CZ 4.26Å; F133-F221 HydrophobicContact CG-CZ 4.33Å; F221-Q224 WeakPolarHBondContact O-CB 3.38Å; F221-Q224 WeakPolarHBondContact O-CG 3.48Å; F221-Q224 PolarHBondContact O-NE2 3.13Å; F221-Q224 VanDerWaalsContact O-NE2 3.12Å; F221-Q224 PolarHBondContact O-OE1 2.87Å
222G88.6Confident94.7Very high57 Ų5721.8 Ų21.859%0.58813%0.13SC*.THydrogen-bonded Turntrans69.5-139.9168.100000114.8Q224 V225G222-Q224 PolarHBondContact O-N 2.95Å; G222-Q224 VanDerWaalsContact O-N 3.14Å; G222-V225 PolarHBondContact O-N 3.34Å
223D87.2Confident94.6Very high72 Ų7224.1 Ų24.139%0.38514%0.139SC..Hα-helixtrans-59.7-23.3-17866.1-57.2000113.4I202 V225 R226 S227I202-D223 WeakPolarHBondContact CB-OD2 3.41Å; I202-D223 PolarHBondContact N-OD2 3.46Å; D223-V225 VanDerWaalsContact C-N 3.26Å; D223-V225 PolarHBondContact O-N 2.67Å; D223-R226 PolarHBondContact O-N 3.28Å; D223-R226 VanDerWaalsContact O-N 3.12Å; D223-S227 PolarHBondContact O-N 3.14Å; D223-S227 PolarHBondContact O-OG 2.92Å
224Q93.8Very high94.5Very high2 Ų224.9 Ų24.91%0.00914%0.143CC..Hα-helixtrans-53.2-41179.7-63.4166.832.100112.7H199 T200 P219 F221 G222 S227 S228H199-Q224 HydrophobicContact CB-CG 4.4Å; H199-Q224 PolarHBondContact CD2-NE2 2.86Å; H199-Q224 VanDerWaalsContact O-CB 3.22Å; H199-Q224 WeakPolarHBondContact O-CB 3.2Å; T200-Q224 PolarHBondContact OG1-O 3.33Å; P219-Q224 HydrophobicContact CB-CB 3.81Å; F221-Q224 WeakPolarHBondContact O-CB 3.38Å; F221-Q224 WeakPolarHBondContact O-CG 3.48Å; F221-Q224 PolarHBondContact O-NE2 3.13Å; F221-Q224 VanDerWaalsContact O-NE2 3.12Å; F221-Q224 PolarHBondContact O-OE1 2.87Å; G222-Q224 PolarHBondContact O-N 2.95Å; G222-Q224 VanDerWaalsContact O-N 3.14Å; Q224-S227 PolarHBondContact O-N 2.94Å; Q224-S228 VanDerWaalsContact O-CB 3.32Å; Q224-S228 WeakPolarHBondContact O-CB 3.39Å; Q224-S228 PolarHBondContact O-N 3.48Å; Q224-S228 PolarHBondContact O-OG 2.94Å
225V92.9Very high94.4Very high47 Ų4725.5 Ų25.529%0.28515%0.15SC..Hα-helixtrans-63.9-47.7179.8178.80000110A20 P219 G222 D223 S227 S228 V229A20-V225 HydrophobicContact CB-CG1 3.63Å; P219-V225 HydrophobicContact CB-CG2 4Å; P219-V225 HydrophobicContact CG-CG2 4.44Å; G222-V225 PolarHBondContact O-N 3.34Å; D223-V225 VanDerWaalsContact C-N 3.26Å; D223-V225 PolarHBondContact O-N 2.67Å; V225-S227 PolarHBondContact O-N 2.8Å; V225-S228 WeakPolarHBondContact CA-OG 3.41Å; V225-S228 PolarHBondContact O-N 2.85Å; V225-S228 PolarHBondContact O-OG 3.17Å; V225-V229 WeakPolarHBondContact O-CG2 3.29Å; V225-V229 PolarHBondContact O-N 2.85Å
226R91.7Very high94.4Very high58 Ų5825.6 Ų25.622%0.21915%0.15CC..Hα-helixtrans-63.4-44.9178.7-175.3-179.2-178.9-84.31.7111.8D87 D223 S228 V229 L230D87-R226 IonicContact OD1-CZ 2.64Å; D87-R226 IonicContact OD1-NH1 2.96Å; D87-R226 IonicContact OD1-NH2 3.49Å; D87-R226 PolarHBondContact OD1-NH2 3.05Å; D87-R226 IonicContact OD2-CZ 4Å; D87-R226 IonicContact OD2-NH1 2.92Å; D87-R226 IonicContact OD2-NH2 3.36Å; D87-R226 PolarHBondContact OD2-NH2 3.44Å; D223-R226 PolarHBondContact O-N 3.28Å; D223-R226 VanDerWaalsContact O-N 3.12Å; R226-S228 VanDerWaalsContact C-N 3.33Å; R226-S228 PolarHBondContact O-N 3.41Å; R226-V229 WeakPolarHBondContact O-CB 3.33Å; R226-V229 PolarHBondContact O-N 2.73Å; R226-L230 HydrophobicContact CG-CD1 4.48Å; R226-L230 WeakPolarHBondContact O-CG 3.4Å; R226-L230 PolarHBondContact O-N 3.2Å
227S94.3Very high94.4Very high4 Ų425.8 Ų25.83%0.02815%0.153CC..Hα-helixtrans-63.5-38.4177.6-64.20000112.3T200 F205 D223 Q224 V225 V229 L230 A231T200-S227 WeakPolarHBondContact O-CB 3.43Å; T200-S227 PolarHBondContact O-OG 3.07Å; F205-S227 WeakPolarHBondContact CD2-O 3.4Å; F205-S227 WeakPolarHBondContact CE2-O 3.38Å; D223-S227 PolarHBondContact O-N 3.14Å; D223-S227 PolarHBondContact O-OG 2.92Å; Q224-S227 PolarHBondContact O-N 2.94Å; V225-S227 PolarHBondContact O-N 2.8Å; S227-V229 VanDerWaalsContact C-N 3.32Å; S227-V229 PolarHBondContact O-N 3.43Å; S227-L230 PolarHBondContact O-N 2.78Å; S227-A231 PolarHBondContact O-N 2.67Å
228S95.8Very high94.4Very high0 Ų027.7 Ų27.70%016%0.162CC..Hα-helixtrans-64.7-36.9173.9680000112.5T200 S217 Q224 V225 R226 A231 S232 R239T200-S228 WeakPolarHBondContact OG1-CB 3.34Å; S217-S228 VanDerWaalsContact CB-CB 3.48Å; Q224-S228 VanDerWaalsContact O-CB 3.32Å; Q224-S228 WeakPolarHBondContact O-CB 3.39Å; Q224-S228 PolarHBondContact O-N 3.48Å; Q224-S228 PolarHBondContact O-OG 2.94Å; V225-S228 WeakPolarHBondContact CA-OG 3.41Å; V225-S228 PolarHBondContact O-N 2.85Å; V225-S228 PolarHBondContact O-OG 3.17Å; R226-S228 VanDerWaalsContact C-N 3.33Å; R226-S228 PolarHBondContact O-N 3.41Å; S228-A231 WeakPolarHBondContact O-CB 3.36Å; S228-A231 PolarHBondContact O-N 2.78Å; S228-S232 PolarHBondContact O-N 3.27Å; S228-S232 PolarHBondContact O-OG 3.4Å; S228-R239 WeakPolarHBondContact OG-CD 3.45Å
229V94.9Very high94.4Very high3 Ų330.8 Ų30.82%0.01817%0.174CC..Hα-helixtrans-65.5-43.6175.1157.20000111.7A20 A22 E23 V225 R226 S227 A231 S232 I233A20-V229 VanDerWaalsContact O-CG2 3.31Å; A20-V229 WeakPolarHBondContact O-CG2 3.15Å; A22-V229 HydrophobicContact CB-CG1 3.98Å; E23-V229 HydrophobicContact CG-CB 4.47Å; E23-V229 HydrophobicContact CG-CG1 4.09Å; E23-V229 HydrophobicContact CG-CG2 4.44Å; E23-V229 VanDerWaalsContact OE1-CA 3.31Å; E23-V229 WeakPolarHBondContact OE1-CA 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.29Å; V225-V229 PolarHBondContact O-N 2.85Å; R226-V229 WeakPolarHBondContact O-CB 3.33Å; R226-V229 PolarHBondContact O-N 2.73Å; S227-V229 VanDerWaalsContact C-N 3.32Å; S227-V229 PolarHBondContact O-N 3.43Å; V229-A231 VanDerWaalsContact C-N 3.32Å; V229-A231 PolarHBondContact O-N 2.89Å; V229-S232 PolarHBondContact O-N 2.8Å; V229-I233 HydrophobicContact CG1-CD1 3.78Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.32Å
230L95.4Very high94.4Very high3 Ų331.2 Ų31.22%0.01618%0.175CC..Hα-helixtrans-63-39.4173.6-67.4171.6000111.6L82 V88 F205 R226 S227 S232 I233 H234L82-L230 HydrophobicContact CD2-CD1 3.51Å; V88-L230 HydrophobicContact CG1-CD2 4.09Å; F205-L230 HydrophobicContact CE2-CB 4.19Å; F205-L230 HydrophobicContact CZ-CB 4.1Å; R226-L230 HydrophobicContact CG-CD1 4.48Å; R226-L230 WeakPolarHBondContact O-CG 3.4Å; R226-L230 PolarHBondContact O-N 3.2Å; S227-L230 PolarHBondContact O-N 2.78Å; L230-S232 VanDerWaalsContact C-N 3.32Å; L230-S232 PolarHBondContact O-N 3.22Å; L230-I233 PolarHBondContact O-N 3.36Å; L230-H234 WeakPolarHBondContact O-CB 3.4Å; L230-H234 PolarHBondContact O-CD2 3.09Å; L230-H234 PolarHBondContact O-N 3.1Å
231A97.1Very high94.4Very high0 Ų033.5 Ų33.50%019%0.186CC..Hα-helixtrans-59.9-41.8174.500000112.1F205 V215 S227 S228 V229 G235 F236F205-A231 HydrophobicContact CD2-CB 4.18Å; F205-A231 HydrophobicContact CE2-CB 3.86Å; V215-A231 HydrophobicContact CG2-CB 3.74Å; S227-A231 PolarHBondContact O-N 2.67Å; S228-A231 WeakPolarHBondContact O-CB 3.36Å; S228-A231 PolarHBondContact O-N 2.78Å; V229-A231 VanDerWaalsContact C-N 3.32Å; V229-A231 PolarHBondContact O-N 2.89Å; A231-G235 PolarHBondContact O-N 3.29Å; A231-F236 HydrophobicContact CB-CB 4.25Å; A231-F236 HydrophobicContact CB-CD2 4.4Å; A231-F236 PolarHBondContact O-N 3.07Å
232S95.9Very high94.5Very high31 Ų3133.4 Ų33.422%0.21719%0.185CC..Hα-helixtrans-65.9-49.1174.4-55.80000112.2E23 S228 V229 L230 H234 G235E23-S232 WeakPolarHBondContact OE1-CB 3.34Å; E23-S232 PolarHBondContact OE1-OG 2.94Å; S228-S232 PolarHBondContact O-N 3.27Å; S228-S232 PolarHBondContact O-OG 3.4Å; V229-S232 PolarHBondContact O-N 2.8Å; L230-S232 VanDerWaalsContact C-N 3.32Å; L230-S232 PolarHBondContact O-N 3.22Å; S232-H234 VanDerWaalsContact C-N 3.31Å; S232-H234 PolarHBondContact O-N 2.75Å; S232-G235 PolarHBondContact O-N 3.12Å
233I94.5Very high94.3Very high60 Ų6035.7 Ų35.731%0.30819%0.188SC..Hα-helixtrans-56.1-45.7-179.1-73.1167.6000110.9A22 E23 V88 V229 L230 G235A22-I233 HydrophobicContact CB-CD1 4.02Å; E23-I233 HydrophobicContact CB-CG1 4.43Å; E23-I233 HydrophobicContact CG-CD1 4.48Å; E23-I233 HydrophobicContact CG-CG1 3.87Å; V88-I233 HydrophobicContact CG1-CD1 4.05Å; V229-I233 HydrophobicContact CG1-CD1 3.78Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.32Å; L230-I233 PolarHBondContact O-N 3.36Å; I233-G235 PolarHBondContact O-N 3.27Å
234H96.4Very high94.3Very high17 Ų1737 Ų378%0.07920%0.2CC..Hα-helixtrans-78.5-12-179.1-64.8-53.3000113.3L86 L230 S232 F236 R266 F270L86-H234 VanDerWaalsContact C-NE2 3.26Å; L86-H234 PolarHBondContact O-NE2 3.02Å; L230-H234 WeakPolarHBondContact O-CB 3.4Å; L230-H234 PolarHBondContact O-CD2 3.09Å; L230-H234 PolarHBondContact O-N 3.1Å; S232-H234 VanDerWaalsContact C-N 3.31Å; S232-H234 PolarHBondContact O-N 2.75Å; H234-F236 HydrophobicContact CB-CD1 3.86Å; H234-F236 HydrophobicContact CB-CD2 4.1Å; H234-F236 HydrophobicContact CB-CE1 3.42Å; H234-F236 VanDerWaalsContact CB-CE1 3.42Å; H234-F236 HydrophobicContact CB-CE2 3.68Å; H234-F236 HydrophobicContact CB-CG 4.17Å; H234-F236 HydrophobicContact CB-CZ 3.31Å; H234-F236 AromaticContact CD2-CE2 3.96Å; H234-F236 AromaticContact CG-CZ 3.85Å; H234-R266 PolarHBondContact O-NE 3.19Å; H234-R266 PolarHBondContact O-NH2 2.9Å; H234-F270 HydrophobicContact CB-CE2 4.35Å; H234-F270 HydrophobicContact CB-CZ 4.19Å; H234-F270 AromaticContact CE1-CE1 3.95Å; H234-F270 AromaticContact CG-CZ 3.94Å; H234-F270 AromaticContact ND1-CE1 3.6Å; H234-F270 AromaticContact ND1-CZ 3.38Å; H234-F270 WeakPolarHBondContact ND1-CZ 3.49Å
235G97.5Very high94.3Very high17 Ų1737.8 Ų37.818%0.17521%0.205CC..THydrogen-bonded Turntrans76.334.4-178.600000112.9A231 S232 I233 G237 Y263 R266A231-G235 PolarHBondContact O-N 3.29Å; S232-G235 PolarHBondContact O-N 3.12Å; I233-G235 PolarHBondContact O-N 3.27Å; G235-G237 VanDerWaalsContact C-N 3.33Å; G235-Y263 WeakPolarHBondContact O-CA 3.38Å; G235-Y263 WeakPolarHBondContact O-CD1 3.24Å; G235-R266 WeakPolarHBondContact O-CB 3.28Å
236F98.4Very high94.4Very high2 Ų237.9 Ų37.91%0.00921%0.205CC..SBendtrans-80.7-18.7174.8-57.6-20.8000112.6L86 F205 V209 P214 V215 A231 H234 I267 F270L86-F236 HydrophobicContact CD2-CE2 3.97Å; L86-F236 HydrophobicContact CD2-CZ 3.85Å; F205-F236 AromaticContact CE2-CD2 3.94Å; F205-F236 HydrophobicContact CE2-CD2 3.94Å; F205-F236 HydrophobicContact CE2-CE2 4.11Å; F205-F236 HydrophobicContact CZ-CD2 4.13Å; F205-F236 AromaticContact CZ-CE2 3.82Å; F205-F236 HydrophobicContact CZ-CE2 3.82Å; V209-F236 HydrophobicContact CG2-CD2 3.93Å; V209-F236 HydrophobicContact CG2-CE2 3.55Å; V209-F236 HydrophobicContact CG2-CZ 4.19Å; P214-F236 CarbonylContact C-O 3.57Å; P214-F236 VanDerWaalsContact CA-O 3.27Å; P214-F236 WeakPolarHBondContact CA-O 3.39Å; V215-F236 HydrophobicContact CG2-CB 4.22Å; V215-F236 PolarHBondContact N-O 3.2Å; A231-F236 HydrophobicContact CB-CB 4.25Å; A231-F236 HydrophobicContact CB-CD2 4.4Å; A231-F236 PolarHBondContact O-N 3.07Å; H234-F236 HydrophobicContact CB-CD1 3.86Å; H234-F236 HydrophobicContact CB-CD2 4.1Å; H234-F236 HydrophobicContact CB-CE1 3.42Å; H234-F236 VanDerWaalsContact CB-CE1 3.42Å; H234-F236 HydrophobicContact CB-CE2 3.68Å; H234-F236 HydrophobicContact CB-CG 4.17Å; H234-F236 HydrophobicContact CB-CZ 3.31Å; H234-F236 AromaticContact CD2-CE2 3.96Å; H234-F236 AromaticContact CG-CZ 3.85Å; F236-I267 HydrophobicContact CB-CB 4.44Å; F236-I267 HydrophobicContact CB-CD1 4.05Å; F236-I267 HydrophobicContact CB-CG1 4.32Å; F236-I267 HydrophobicContact CD1-CB 3.72Å; F236-I267 HydrophobicContact CD1-CD1 4.42Å; F236-I267 HydrophobicContact CD1-CG1 3.78Å; F236-I267 HydrophobicContact CD2-CG1 4.47Å; F236-I267 HydrophobicContact CE1-CB 4.3Å; F236-I267 HydrophobicContact CE1-CG1 4.19Å; F236-I267 HydrophobicContact CG-CB 4.23Å; F236-I267 HydrophobicContact CG-CD1 4.1Å; F236-I267 HydrophobicContact CG-CG1 3.94Å; F236-F270 HydrophobicContact CE1-CB 3.66Å; F236-F270 HydrophobicContact CE1-CD1 4.27Å; F236-F270 AromaticContact CE1-CD2 3.57Å; F236-F270 HydrophobicContact CE1-CD2 3.57Å; F236-F270 HydrophobicContact CE1-CE2 4.22Å; F236-F270 AromaticContact CE1-CG 3.57Å; F236-F270 HydrophobicContact CE1-CG 3.57Å; F236-F270 HydrophobicContact CZ-CB 3.6Å; F236-F270 AromaticContact CZ-CD1 3.77Å; F236-F270 HydrophobicContact CZ-CD1 3.77Å; F236-F270 AromaticContact CZ-CD2 3.93Å; F236-F270 HydrophobicContact CZ-CD2 3.93Å; F236-F270 HydrophobicContact CZ-CE1 4.35Å; F236-F270 AromaticContact CZ-CG 3.49Å; F236-F270 HydrophobicContact CZ-CG 3.49Å; F236-F270 VanDerWaalsContact CZ-CG 3.49Å
237G98Very high94.7Very high5 Ų538.2 Ų38.25%0.05221%0.208CC..EExtended strand (participates in β ladder)trans-179.9-163.8-170.200000114.2V215 G235 Y263V215-G237 WeakPolarHBondContact O-CA 3.46Å; G235-G237 VanDerWaalsContact C-N 3.33Å; G237-Y263 WeakPolarHBondContact O-CE1 3.27Å
238I97.8Very high94.8Very high39 Ų3943 Ų4320%0.223%0.231CC..EExtended strand (participates in β ladder)trans-126.8134.4175.1-63.4174.5000108.5V215 S217 T253 T256 V257 Y263V215-I238 PolarHBondContact O-N 3.24Å; S217-I238 PolarHBondContact N-O 2.97Å; I238-T253 HydrophobicContact CB-CG2 3.67Å; I238-T253 HydrophobicContact CD1-CG2 4.13Å; I238-T253 HydrophobicContact CG1-CG2 4.46Å; I238-T253 HydrophobicContact CG2-CG2 3.66Å; I238-T256 HydrophobicContact CD1-CG2 3.77Å; I238-V257 HydrophobicContact CB-CG2 4.14Å; I238-V257 HydrophobicContact CD1-CG2 3.97Å; I238-V257 HydrophobicContact CG1-CG2 3.89Å; I238-Y263 WeakPolarHBondContact CD1-OH 3.35Å; I238-Y263 HydrophobicContact CG1-CE1 4.14Å; I238-Y263 WeakPolarHBondContact CG1-OH 3.43Å
239R96Very high94.9Very high70 Ų7045.5 Ų45.526%0.26425%0.246SC..EExtended strand (participates in β ladder)trans-86.3133.8170.5-176.7179.368.875.7-0.5111E23 S217 P219 S228 D241E23-R239 IonicContact OE1-NE 3.21Å; E23-R239 PolarHBondContact OE1-NE 3.16Å; E23-R239 IonicContact OE2-NH2 3.42Å; S217-R239 CarbonylContact O-C 3.58Å; S217-R239 WeakPolarHBondContact O-CA 3.43Å; P219-R239 HydrophobicContact CG-CG 4.22Å; S228-R239 WeakPolarHBondContact OG-CD 3.45Å; R239-D241 IonicContact NH1-OD1 3.45Å; R239-D241 PolarHBondContact NH1-OD1 3.45Å
240L96.2Very high95Very high21 Ų2145.5 Ų45.511%0.1125%0.245CC..  trans-115.2143.9171.3-69.3176.4000109.6V216 S217 V218 P219 L245 L250 T253V216-L240 HydrophobicContact CG1-CD1 3.86Å; V216-L240 HydrophobicContact CG1-CG 4.4Å; S217-L240 PolarHBondContact O-N 3.2Å; V218-L240 HydrophobicContact CG2-CB 4.34Å; P219-L240 WeakPolarHBondContact CD-O 3.48Å; L240-L245 HydrophobicContact CB-CD1 4.22Å; L240-L245 HydrophobicContact CD1-CD1 3.89Å; L240-L250 HydrophobicContact CD1-CD1 4.01Å; L240-T253 HydrophobicContact CD1-CG2 4.04Å; L240-T253 HydrophobicContact CD2-CG2 4.27Å; L240-T253 HydrophobicContact CG-CG2 4.08Å
241D92.4Very high95.2Very high92 Ų9247.2 Ų47.249%0.49225%0.254SS..  trans-78.1136.6170.6-62.3-40.1000109.7R239 T243R239-D241 IonicContact NH1-OD1 3.45Å; R239-D241 PolarHBondContact NH1-OD1 3.45Å; D241-T243 PolarHBondContact O-N 2.94Å
242K88.8Confident95.2Very high101 Ų10151.5 Ų51.544%0.43928%0.276SS..SBendtrans-62.9-21.6176.465.5168.3-176.5170.60113V218 V220 L245V218-K242 HydrophobicContact CG1-CB 4.23Å; V220-K242 HydrophobicContact CG1-CD 4.43Å; V220-K242 PolarHBondContact O-NZ 3.4Å; K242-L245 WeakPolarHBondContact O-CB 3.38Å; K242-L245 PolarHBondContact O-N 2.91Å
243T84.9Confident95.3Very high105 Ų10550.9 Ų50.964%0.64427%0.271SS*.THydrogen-bonded Turntrans-142.5102.3-178.8-490000108.6D241D241-T243 PolarHBondContact O-N 2.94Å
244P87.7Confident95.5Very high99 Ų9948 Ų4864%0.64326%0.256SS*.THydrogen-bonded Turncis-90.6123.57.133.8-31.4000114.1T246P244-T246 HydrophobicContact CB-CG2 4.49Å
245L93.5Very high95.6Very high19 Ų1948.6 Ų48.610%0.09926%0.26CS..  trans-100.2109.4164-170.572.3000109.3T143 V147 V218 L240 K242 L250T143-L245 HydrophobicContact CG2-CD2 4.01Å; V147-L245 HydrophobicContact CG2-CD2 4.13Å; V218-L245 HydrophobicContact CG1-CD1 4.47Å; V218-L245 HydrophobicContact CG1-CD2 4.25Å; L240-L245 HydrophobicContact CB-CD1 4.22Å; L240-L245 HydrophobicContact CD1-CD1 3.89Å; K242-L245 WeakPolarHBondContact O-CB 3.38Å; K242-L245 PolarHBondContact O-N 2.91Å; L245-L250 HydrophobicContact CD1-CB 4.31Å
246T96.2Very high95.7Very high49 Ų4950.7 Ų50.730%0.30127%0.269SS..  trans-108.7167.4178.784.60000111P244 E248 T249 L250P244-T246 HydrophobicContact CB-CG2 4.49Å; T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 WeakPolarHBondContact CB-OE2 3.21Å; T246-E248 PolarHBondContact O-N 2.94Å; T246-E248 PolarHBondContact OG1-N 2.9Å; T246-E248 PolarHBondContact OG1-OE2 3Å; T246-T249 PolarHBondContact N-OG1 3.25Å; T246-T249 PolarHBondContact O-OG1 2.97Å; T246-T249 PolarHBondContact OG1-N 3.38Å; T246-T249 PolarHBondContact OG1-OG1 2.7Å; T246-L250 WeakPolarHBondContact O-CB 3.41Å; T246-L250 PolarHBondContact O-N 3.34Å; T246-L250 VanDerWaalsContact O-N 3.11Å
247K96Very high95.7Very high65 Ų6550.8 Ų50.828%0.28327%0.27SS..Hα-helixtrans-55.2-48.3173.3173.6-167.3179.6-178.50110.8S149 A150 N153 H251S149-K247 WeakPolarHBondContact O-CE 3.35Å; A150-K247 HydrophobicContact CB-CG 4.36Å; N153-K247 WeakPolarHBondContact ND2-CE 3.49Å; N153-K247 PolarHBondContact ND2-NZ 2.96Å; N153-K247 VanDerWaalsContact ND2-NZ 3.15Å; K247-H251 WeakPolarHBondContact O-CB 3.46Å; K247-H251 PolarHBondContact O-N 3.45Å
248E97.5Very high95.7Very high106 Ų10651.9 Ų51.950%0.49528%0.279SS..Hα-helixtrans-67.9-45.4-174-60.867.1-144.400110.8T246 N252T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 WeakPolarHBondContact CB-OE2 3.21Å; T246-E248 PolarHBondContact O-N 2.94Å; T246-E248 PolarHBondContact OG1-N 2.9Å; T246-E248 PolarHBondContact OG1-OE2 3Å; E248-N252 VanDerWaalsContact O-CB 3.25Å; E248-N252 WeakPolarHBondContact O-CB 3.3Å; E248-N252 PolarHBondContact O-N 3.34Å; E248-N252 PolarHBondContact O-ND2 2.9Å
249T97.3Very high95.7Very high52 Ų5255 Ų5532%0.31929%0.293SS..Hα-helixtrans-64-46.6179.759.40000110.7T246 T253T246-T249 PolarHBondContact N-OG1 3.25Å; T246-T249 PolarHBondContact O-OG1 2.97Å; T246-T249 PolarHBondContact OG1-N 3.38Å; T246-T249 PolarHBondContact OG1-OG1 2.7Å; T249-T253 VanDerWaalsContact O-CB 3.25Å; T249-T253 WeakPolarHBondContact O-CB 3.42Å; T249-T253 PolarHBondContact O-N 2.72Å; T249-T253 VanDerWaalsContact O-N 3.09Å; T249-T253 PolarHBondContact O-OG1 3.14Å
250L98.1Very high95.8Very high2 Ų254.9 Ų54.91%0.0130%0.297CS..Hα-helixtrans-64.1-48.9177.8-177.561.3000112.3V147 A150 I197 V216 L240 L245 T246 N252 T253 I254V147-L250 HydrophobicContact CB-CD2 4.17Å; V147-L250 HydrophobicContact CG1-CD2 4.29Å; V147-L250 HydrophobicContact CG2-CD2 3.78Å; A150-L250 HydrophobicContact CB-CB 4.28Å; A150-L250 HydrophobicContact CB-CD2 4Å; A150-L250 HydrophobicContact CB-CG 4.21Å; I197-L250 HydrophobicContact CG2-CD1 4.42Å; V216-L250 HydrophobicContact CG1-CD1 4.29Å; L240-L250 HydrophobicContact CD1-CD1 4.01Å; L245-L250 HydrophobicContact CD1-CB 4.31Å; T246-L250 WeakPolarHBondContact O-CB 3.41Å; T246-L250 PolarHBondContact O-N 3.34Å; T246-L250 VanDerWaalsContact O-N 3.11Å; L250-N252 PolarHBondContact O-N 3.27Å; L250-T253 PolarHBondContact O-N 3.32Å; L250-I254 HydrophobicContact CD1-CD1 3.77Å; L250-I254 HydrophobicContact CD1-CG1 4.14Å; L250-I254 HydrophobicContact CG-CD1 3.75Å; L250-I254 HydrophobicContact CG-CG1 4.48Å; L250-I254 WeakPolarHBondContact O-CB 3.38Å; L250-I254 VanDerWaalsContact O-CG1 3.24Å; L250-I254 WeakPolarHBondContact O-CG1 3.2Å; L250-I254 PolarHBondContact O-N 3.1Å
251H98.3Very high95.8Very high40 Ų4062.5 Ų62.519%0.18532%0.324CS..Hα-helixtrans-57.6-52-179.9174-84.2000111.8A150 K247 T253 I254 I255A150-H251 HydrophobicContact CB-CB 4.17Å; K247-H251 WeakPolarHBondContact O-CB 3.46Å; K247-H251 PolarHBondContact O-N 3.45Å; H251-T253 VanDerWaalsContact C-N 3.34Å; H251-T253 PolarHBondContact O-N 3.49Å; H251-I254 PolarHBondContact O-N 3.32Å; H251-I255 WeakPolarHBondContact O-CG1 3.41Å; H251-I255 PolarHBondContact O-N 2.93Å
252N98.2Very high96.1Very high90 Ų9063 Ų6348%0.48132%0.322SS..Hα-helixtrans-66.7-38-175.6-66.7-14.6000111.7E248 L250 I255 T256E248-N252 VanDerWaalsContact O-CB 3.25Å; E248-N252 WeakPolarHBondContact O-CB 3.3Å; E248-N252 PolarHBondContact O-N 3.34Å; E248-N252 PolarHBondContact O-ND2 2.9Å; L250-N252 PolarHBondContact O-N 3.27Å; N252-I255 PolarHBondContact O-N 3.01Å; N252-T256 WeakPolarHBondContact O-CB 3.49Å; N252-T256 PolarHBondContact O-N 2.93Å; N252-T256 PolarHBondContact O-OG1 2.97Å
253T98.4Very high96.6Very high17 Ų1759.1 Ų59.110%0.10431%0.305CS..Hα-helixtrans-67-41.5176.2-66.90000112V216 I238 L240 T249 L250 H251 T256 V257V216-T253 HydrophobicContact CG1-CG2 3.83Å; V216-T253 HydrophobicContact CG2-CG2 4.02Å; I238-T253 HydrophobicContact CB-CG2 3.67Å; I238-T253 HydrophobicContact CD1-CG2 4.13Å; I238-T253 HydrophobicContact CG1-CG2 4.46Å; I238-T253 HydrophobicContact CG2-CG2 3.66Å; L240-T253 HydrophobicContact CD1-CG2 4.04Å; L240-T253 HydrophobicContact CD2-CG2 4.27Å; L240-T253 HydrophobicContact CG-CG2 4.08Å; T249-T253 VanDerWaalsContact O-CB 3.25Å; T249-T253 WeakPolarHBondContact O-CB 3.42Å; T249-T253 PolarHBondContact O-N 2.72Å; T249-T253 VanDerWaalsContact O-N 3.09Å; T249-T253 PolarHBondContact O-OG1 3.14Å; L250-T253 PolarHBondContact O-N 3.32Å; H251-T253 VanDerWaalsContact C-N 3.34Å; H251-T253 PolarHBondContact O-N 3.49Å; T253-T256 PolarHBondContact O-N 3.41Å; T253-V257 HydrophobicContact CG2-CG2 4.48Å; T253-V257 WeakPolarHBondContact O-CG2 3.46Å; T253-V257 PolarHBondContact O-N 3.06Å
254I98.5Very high97.2Very high0 Ų057.3 Ų57.30%029%0.288CS..Hα-helixtrans-58.8-49.8174.6-73.5167.8000110.8M126 F151 L154 I197 V216 L250 H251 T256 V257 A258M126-I254 HydrophobicContact CE-CG2 3.29Å; M126-I254 HydrophobicContact SD-CG2 3.35Å; M126-I254 WeakPolarHBondContact SD-CG2 3.5Å; F151-I254 HydrophobicContact CD1-CD1 4.46Å; F151-I254 HydrophobicContact CE1-CD1 3.89Å; L154-I254 HydrophobicContact CD1-CB 4.45Å; L154-I254 HydrophobicContact CD1-CD1 4.04Å; L154-I254 HydrophobicContact CD1-CG2 3.88Å; I197-I254 HydrophobicContact CD1-CD1 3.65Å; I197-I254 HydrophobicContact CD1-CG1 4.06Å; I197-I254 HydrophobicContact CG1-CD1 4.15Å; I197-I254 HydrophobicContact CG1-CG1 4.09Å; V216-I254 HydrophobicContact CG2-CG1 4.16Å; L250-I254 HydrophobicContact CD1-CD1 3.77Å; L250-I254 HydrophobicContact CD1-CG1 4.14Å; L250-I254 HydrophobicContact CG-CD1 3.75Å; L250-I254 HydrophobicContact CG-CG1 4.48Å; L250-I254 WeakPolarHBondContact O-CB 3.38Å; L250-I254 VanDerWaalsContact O-CG1 3.24Å; L250-I254 WeakPolarHBondContact O-CG1 3.2Å; L250-I254 PolarHBondContact O-N 3.1Å; H251-I254 PolarHBondContact O-N 3.32Å; I254-T256 VanDerWaalsContact C-N 3.32Å; I254-T256 PolarHBondContact O-N 3.27Å; I254-V257 PolarHBondContact O-N 2.89Å; I254-A258 VanDerWaalsContact O-CB 3.25Å; I254-A258 WeakPolarHBondContact O-CB 3.36Å; I254-A258 PolarHBondContact O-N 3.39Å
255I98.4Very high97.8Very high30 Ų3057.3 Ų57.315%0.15428%0.279CS..Hα-helixtrans-59.5-45.4177.6-68.8-62.1000110.8L154 Y157 H251 N252 V257 A258 E259L154-I255 HydrophobicContact CD2-CD1 3.46Å; L154-I255 VanDerWaalsContact CD2-CD1 3.46Å; L154-I255 HydrophobicContact CD2-CG1 3.87Å; Y157-I255 HydrophobicContact CE2-CD1 3.87Å; H251-I255 WeakPolarHBondContact O-CG1 3.41Å; H251-I255 PolarHBondContact O-N 2.93Å; N252-I255 PolarHBondContact O-N 3.01Å; I255-V257 VanDerWaalsContact C-N 3.35Å; I255-V257 PolarHBondContact O-N 3.2Å; I255-A258 PolarHBondContact O-N 2.98Å; I255-E259 HydrophobicContact CG2-CG 4.24Å; I255-E259 WeakPolarHBondContact CG2-OE2 3.45Å; I255-E259 WeakPolarHBondContact O-CB 3.11Å; I255-E259 WeakPolarHBondContact O-CG 3.48Å; I255-E259 PolarHBondContact O-N 3.17Å
256T98.6Very high98Very high61 Ų6161.5 Ų61.537%0.37429%0.294SS..Hα-helixtrans-59.1-45.6179.6-60.30000111.7I238 N252 T253 I254 N260 Y263I238-T256 HydrophobicContact CD1-CG2 3.77Å; N252-T256 WeakPolarHBondContact O-CB 3.49Å; N252-T256 PolarHBondContact O-N 2.93Å; N252-T256 PolarHBondContact O-OG1 2.97Å; T253-T256 PolarHBondContact O-N 3.41Å; I254-T256 VanDerWaalsContact C-N 3.32Å; I254-T256 PolarHBondContact O-N 3.27Å; T256-N260 WeakPolarHBondContact O-CB 3.49Å; T256-N260 PolarHBondContact O-N 3.28Å; T256-N260 VanDerWaalsContact O-N 3.09Å; T256-Y263 HydrophobicContact CG2-CE2 4.27Å
257V98.7Very high98.1Very high3 Ų359.2 Ų59.22%0.01828%0.28CS..Hα-helixtrans-70.5-37.6179.31740000111.6V195 P214 V216 I238 T253 I254 I255 Y263V195-V257 HydrophobicContact CG1-CG1 4.22Å; V195-V257 HydrophobicContact CG2-CG1 4.16Å; P214-V257 HydrophobicContact CB-CG1 3.49Å; P214-V257 VanDerWaalsContact CB-CG1 3.49Å; V216-V257 HydrophobicContact CG2-CB 4.08Å; V216-V257 HydrophobicContact CG2-CG1 4.41Å; V216-V257 HydrophobicContact CG2-CG2 3.92Å; I238-V257 HydrophobicContact CB-CG2 4.14Å; I238-V257 HydrophobicContact CD1-CG2 3.97Å; I238-V257 HydrophobicContact CG1-CG2 3.89Å; T253-V257 HydrophobicContact CG2-CG2 4.48Å; T253-V257 WeakPolarHBondContact O-CG2 3.46Å; T253-V257 PolarHBondContact O-N 3.06Å; I254-V257 PolarHBondContact O-N 2.89Å; I255-V257 VanDerWaalsContact C-N 3.35Å; I255-V257 PolarHBondContact O-N 3.2Å; V257-Y263 HydrophobicContact CB-CD2 4.39Å; V257-Y263 HydrophobicContact CG1-CD2 4.46Å; V257-Y263 HydrophobicContact CG1-CG 4.48Å; V257-Y263 HydrophobicContact CG2-CD2 4.34Å; V257-Y263 HydrophobicContact CG2-CE2 4.27Å
258A98.1Very high98.2Very high29 Ų2960.3 Ų60.324%0.2429%0.288CS..Hα-helixtrans-70.6-40.5-179.800000113.4M126 Y157 V195 I254 I255M126-A258 HydrophobicContact CE-CB 3.79Å; Y157-A258 HydrophobicContact CE1-CB 4.48Å; V195-A258 HydrophobicContact CG2-CB 3.62Å; I254-A258 VanDerWaalsContact O-CB 3.25Å; I254-A258 WeakPolarHBondContact O-CB 3.36Å; I254-A258 PolarHBondContact O-N 3.39Å; I255-A258 PolarHBondContact O-N 2.98Å
259E97.4Very high98.2Very high105 Ų10559.3 Ų59.349%0.49129%0.286SS..Hα-helixtrans-94.7-24.3-171.6-62.3-169.8155.100112.8K123 I255 R261K123-E259 IonicContact NZ-OE1 3.75Å; K123-E259 PolarHBondContact NZ-OE1 3.36Å; I255-E259 HydrophobicContact CG2-CG 4.24Å; I255-E259 WeakPolarHBondContact CG2-OE2 3.45Å; I255-E259 WeakPolarHBondContact O-CB 3.11Å; I255-E259 WeakPolarHBondContact O-CG 3.48Å; I255-E259 PolarHBondContact O-N 3.17Å; E259-R261 PolarHBondContact O-N 3.39Å
260N98.2Very high98.2Very high67 Ų6757.6 Ų57.636%0.35827%0.274SS..  trans-85.4102.5176.2-166.5-27.4000111.6T256 K262 Y263T256-N260 WeakPolarHBondContact O-CB 3.49Å; T256-N260 PolarHBondContact O-N 3.28Å; T256-N260 VanDerWaalsContact O-N 3.09Å; N260-K262 WeakPolarHBondContact ND2-CE 3.39Å; N260-K262 PolarHBondContact O-N 3.42Å; N260-K262 WeakPolarHBondContact OD1-CB 3.39Å; N260-K262 WeakPolarHBondContact OD1-CG 3.36Å; N260-K262 PolarHBondContact OD1-N 3.36Å; N260-K262 VanDerWaalsContact OD1-N 3.13Å; N260-Y263 HydrophobicContact CB-CD2 3.94Å; N260-Y263 HydrophobicContact CB-CE2 3.91Å; N260-Y263 WeakPolarHBondContact O-CD2 3.42Å; N260-Y263 PolarHBondContact O-N 2.92Å
261R97.5Very high98.1Very high180 Ų18058.4 Ų58.468%0.67928%0.28SS*.Hα-helixtrans-53.3-24.7-179.3-72.2-179.355.3154.41.1114.9E259 Y263 K264 E265E259-R261 PolarHBondContact O-N 3.39Å; R261-Y263 PolarHBondContact O-N 2.84Å; R261-Y263 VanDerWaalsContact O-N 3.15Å; R261-K264 PolarHBondContact O-N 2.96Å; R261-K264 VanDerWaalsContact O-N 3.11Å; R261-E265 IonicContact CZ-OE1 3.78Å; R261-E265 IonicContact NE-OE1 2.82Å; R261-E265 PolarHBondContact NE-OE1 2.88Å; R261-E265 IonicContact NH2-OE1 3.33Å; R261-E265 PolarHBondContact NH2-OE1 3.33Å; R261-E265 WeakPolarHBondContact O-CB 3.38Å; R261-E265 WeakPolarHBondContact O-CG 3.41Å; R261-E265 PolarHBondContact O-N 3.01Å
262K98.4Very high97.9Very high102 Ų10258.5 Ų58.544%0.44329%0.292SS..Hα-helixtrans-53.8-38.8-179.881.9-173.9177174.80111.9N260 E265 R266N260-K262 WeakPolarHBondContact ND2-CE 3.39Å; N260-K262 PolarHBondContact O-N 3.42Å; N260-K262 WeakPolarHBondContact OD1-CB 3.39Å; N260-K262 WeakPolarHBondContact OD1-CG 3.36Å; N260-K262 PolarHBondContact OD1-N 3.36Å; N260-K262 VanDerWaalsContact OD1-N 3.13Å; K262-E265 PolarHBondContact O-N 2.85Å; K262-R266 VanDerWaalsContact O-CB 3.3Å; K262-R266 WeakPolarHBondContact O-CB 3.3Å; K262-R266 WeakPolarHBondContact O-CG 3.43Å; K262-R266 PolarHBondContact O-N 3.28Å
263Y98.7Very high97.7Very high20 Ų2057.5 Ų57.58%0.07829%0.285CS..Hα-helixtrans-67.5-44.2-177.9-61.6-70.9000111.3G235 G237 I238 T256 V257 N260 R261 I267G235-Y263 WeakPolarHBondContact O-CA 3.38Å; G235-Y263 WeakPolarHBondContact O-CD1 3.24Å; G237-Y263 WeakPolarHBondContact O-CE1 3.27Å; I238-Y263 WeakPolarHBondContact CD1-OH 3.35Å; I238-Y263 HydrophobicContact CG1-CE1 4.14Å; I238-Y263 WeakPolarHBondContact CG1-OH 3.43Å; T256-Y263 HydrophobicContact CG2-CE2 4.27Å; V257-Y263 HydrophobicContact CB-CD2 4.39Å; V257-Y263 HydrophobicContact CG1-CD2 4.46Å; V257-Y263 HydrophobicContact CG1-CG 4.48Å; V257-Y263 HydrophobicContact CG2-CD2 4.34Å; V257-Y263 HydrophobicContact CG2-CE2 4.27Å; N260-Y263 HydrophobicContact CB-CD2 3.94Å; N260-Y263 HydrophobicContact CB-CE2 3.91Å; N260-Y263 WeakPolarHBondContact O-CD2 3.42Å; N260-Y263 PolarHBondContact O-N 2.92Å; R261-Y263 PolarHBondContact O-N 2.84Å; R261-Y263 VanDerWaalsContact O-N 3.15Å; Y263-I267 WeakPolarHBondContact O-CG2 3.39Å; Y263-I267 PolarHBondContact O-N 3.26Å
264K98.4Very high97.3Very high68 Ų6857.5 Ų57.530%0.29629%0.285SS..Hα-helixtrans-65.1-44.6176.4-172.265175.5-171.30111.7A212 P214 R261 I267 I268A212-K264 WeakPolarHBondContact O-CD 3.35Å; A212-K264 VanDerWaalsContact O-CE 3.3Å; A212-K264 WeakPolarHBondContact O-CE 3.22Å; A212-K264 PolarHBondContact O-NZ 3.39Å; P214-K264 HydrophobicContact CG-CB 3.91Å; P214-K264 HydrophobicContact CG-CD 3.87Å; R261-K264 PolarHBondContact O-N 2.96Å; R261-K264 VanDerWaalsContact O-N 3.11Å; K264-I267 WeakPolarHBondContact O-CG2 3.44Å; K264-I267 PolarHBondContact O-N 3.32Å; K264-I268 HydrophobicContact CD-CD1 4.21Å; K264-I268 HydrophobicContact CD-CG1 4.43Å; K264-I268 HydrophobicContact CG-CD1 3.85Å; K264-I268 HydrophobicContact CG-CG1 4.46Å; K264-I268 WeakPolarHBondContact O-CB 3.39Å; K264-I268 WeakPolarHBondContact O-CG1 3.1Å; K264-I268 PolarHBondContact O-N 3.45Å
265E98.5Very high96.9Very high98 Ų9860.9 Ų60.946%0.45831%0.308SS..Hα-helixtrans-64.7-42.2-179.9-72.1169-177.500111.7R261 K262 N269R261-E265 IonicContact CZ-OE1 3.78Å; R261-E265 IonicContact NE-OE1 2.82Å; R261-E265 PolarHBondContact NE-OE1 2.88Å; R261-E265 IonicContact NH2-OE1 3.33Å; R261-E265 PolarHBondContact NH2-OE1 3.33Å; R261-E265 WeakPolarHBondContact O-CB 3.38Å; R261-E265 WeakPolarHBondContact O-CG 3.41Å; R261-E265 PolarHBondContact O-N 3.01Å; K262-E265 PolarHBondContact O-N 2.85Å; E265-N269 PolarHBondContact O-N 2.91Å; E265-N269 VanDerWaalsContact O-N 3.13Å
266R98.4Very high96.5Very high108 Ų10866.4 Ų66.441%0.40834%0.338SS..Hα-helixtrans-62.8-48.7175.6-70.5-67-63.9-173.2-2111.9H234 G235 K262 N269 F270H234-R266 PolarHBondContact O-NE 3.19Å; H234-R266 PolarHBondContact O-NH2 2.9Å; G235-R266 WeakPolarHBondContact O-CB 3.28Å; K262-R266 VanDerWaalsContact O-CB 3.3Å; K262-R266 WeakPolarHBondContact O-CB 3.3Å; K262-R266 WeakPolarHBondContact O-CG 3.43Å; K262-R266 PolarHBondContact O-N 3.28Å; R266-N269 WeakPolarHBondContact O-CB 3.3Å; R266-N269 PolarHBondContact O-N 3.4Å; R266-F270 WeakPolarHBondContact O-CD2 3.48Å; R266-F270 PolarHBondContact O-N 2.94Å; R266-F270 VanDerWaalsContact O-N 3.12Å
267I98.3Very high96Very high0 Ų068 Ų680%034%0.337CS..Hα-helixtrans-71.3-31.6-177.6-157.2175.3000112.8A208 V209 A212 T213 P214 F236 Y263 K264 F270 S271A208-I267 HydrophobicContact CB-CD1 4.3Å; A208-I267 VanDerWaalsContact O-CD1 3.27Å; A208-I267 WeakPolarHBondContact O-CD1 3.19Å; V209-I267 HydrophobicContact CG2-CD1 4.46Å; V209-I267 HydrophobicContact CG2-CG1 4.42Å; A212-I267 VanDerWaalsContact C-CG2 3.43Å; A212-I267 HydrophobicContact CB-CG2 4.24Å; A212-I267 VanDerWaalsContact O-CG2 3.32Å; A212-I267 WeakPolarHBondContact O-CG2 3.08Å; T213-I267 WeakPolarHBondContact O-CD1 3.3Å; P214-I267 HydrophobicContact CG-CG2 4.25Å; F236-I267 HydrophobicContact CB-CB 4.44Å; F236-I267 HydrophobicContact CB-CD1 4.05Å; F236-I267 HydrophobicContact CB-CG1 4.32Å; F236-I267 HydrophobicContact CD1-CB 3.72Å; F236-I267 HydrophobicContact CD1-CD1 4.42Å; F236-I267 HydrophobicContact CD1-CG1 3.78Å; F236-I267 HydrophobicContact CD2-CG1 4.47Å; F236-I267 HydrophobicContact CE1-CB 4.3Å; F236-I267 HydrophobicContact CE1-CG1 4.19Å; F236-I267 HydrophobicContact CG-CB 4.23Å; F236-I267 HydrophobicContact CG-CD1 4.1Å; F236-I267 HydrophobicContact CG-CG1 3.94Å; Y263-I267 WeakPolarHBondContact O-CG2 3.39Å; Y263-I267 PolarHBondContact O-N 3.26Å; K264-I267 WeakPolarHBondContact O-CG2 3.44Å; K264-I267 PolarHBondContact O-N 3.32Å; I267-F270 PolarHBondContact O-N 3.38Å; I267-S271 WeakPolarHBondContact O-CB 3.19Å; I267-S271 PolarHBondContact O-N 3.19Å
268I98.1Very high95.6Very high89 Ų8976.2 Ų76.246%0.45638%0.379SS..Hα-helixtrans-59.9-46.7170.5-73.9169.3000110.5A212 K264 F270 S271 G272A212-I268 HydrophobicContact CB-CB 4.37Å; A212-I268 HydrophobicContact CB-CG1 3.69Å; K264-I268 HydrophobicContact CD-CD1 4.21Å; K264-I268 HydrophobicContact CD-CG1 4.43Å; K264-I268 HydrophobicContact CG-CD1 3.85Å; K264-I268 HydrophobicContact CG-CG1 4.46Å; K264-I268 WeakPolarHBondContact O-CB 3.39Å; K264-I268 WeakPolarHBondContact O-CG1 3.1Å; K264-I268 PolarHBondContact O-N 3.45Å; I268-F270 VanDerWaalsContact C-N 3.34Å; I268-F270 PolarHBondContact O-N 2.88Å; I268-S271 WeakPolarHBondContact O-CB 2.9Å; I268-S271 PolarHBondContact O-N 2.93Å; I268-G272 PolarHBondContact O-N 3.14Å
269N98.1Very high95.2Very high85 Ų8578.7 Ų78.746%0.45539%0.387SS..Hα-helixtrans-59.4-46.7179.1-174.221.4000111.3E265 R266 G272 M273E265-N269 PolarHBondContact O-N 2.91Å; E265-N269 VanDerWaalsContact O-N 3.13Å; R266-N269 WeakPolarHBondContact O-CB 3.3Å; R266-N269 PolarHBondContact O-N 3.4Å; N269-G272 PolarHBondContact O-N 2.6Å; N269-M273 HydrophobicContact CB-CE 4.39Å; N269-M273 WeakPolarHBondContact O-CG 3.34Å; N269-M273 PolarHBondContact O-N 2.87Å
270F97.1Very high94.7Very high15 Ų1575.5 Ų75.57%0.06637%0.373CS..Hα-helixtrans-67.7-35.6177.6-85.4-99000113.6I85 L86 V209 H234 F236 R266 I267 I268 G272 M273 I274I85-F270 HydrophobicContact CG1-CD1 4.46Å; I85-F270 HydrophobicContact CG1-CE1 4.28Å; I85-F270 WeakPolarHBondContact O-CE1 2.97Å; L86-F270 HydrophobicContact CD2-CB 4.34Å; L86-F270 HydrophobicContact CD2-CD1 3.62Å; L86-F270 HydrophobicContact CD2-CE1 4.36Å; L86-F270 HydrophobicContact CD2-CG 4.38Å; V209-F270 HydrophobicContact CG1-CB 4.26Å; H234-F270 HydrophobicContact CB-CE2 4.35Å; H234-F270 HydrophobicContact CB-CZ 4.19Å; H234-F270 AromaticContact CE1-CE1 3.95Å; H234-F270 AromaticContact CG-CZ 3.94Å; H234-F270 AromaticContact ND1-CE1 3.6Å; H234-F270 AromaticContact ND1-CZ 3.38Å; H234-F270 WeakPolarHBondContact ND1-CZ 3.49Å; F236-F270 HydrophobicContact CE1-CB 3.66Å; F236-F270 HydrophobicContact CE1-CD1 4.27Å; F236-F270 AromaticContact CE1-CD2 3.57Å; F236-F270 HydrophobicContact CE1-CD2 3.57Å; F236-F270 HydrophobicContact CE1-CE2 4.22Å; F236-F270 AromaticContact CE1-CG 3.57Å; F236-F270 HydrophobicContact CE1-CG 3.57Å; F236-F270 HydrophobicContact CZ-CB 3.6Å; F236-F270 AromaticContact CZ-CD1 3.77Å; F236-F270 HydrophobicContact CZ-CD1 3.77Å; F236-F270 AromaticContact CZ-CD2 3.93Å; F236-F270 HydrophobicContact CZ-CD2 3.93Å; F236-F270 HydrophobicContact CZ-CE1 4.35Å; F236-F270 AromaticContact CZ-CG 3.49Å; F236-F270 HydrophobicContact CZ-CG 3.49Å; F236-F270 VanDerWaalsContact CZ-CG 3.49Å; R266-F270 WeakPolarHBondContact O-CD2 3.48Å; R266-F270 PolarHBondContact O-N 2.94Å; R266-F270 VanDerWaalsContact O-N 3.12Å; I267-F270 PolarHBondContact O-N 3.38Å; I268-F270 VanDerWaalsContact C-N 3.34Å; I268-F270 PolarHBondContact O-N 2.88Å; F270-G272 VanDerWaalsContact C-N 3.29Å; F270-G272 PolarHBondContact O-N 2.89Å; F270-M273 HydrophobicContact CB-CE 4.32Å; F270-M273 HydrophobicContact CD1-CE 3.94Å; F270-M273 HydrophobicContact CD2-CE 3.56Å; F270-M273 HydrophobicContact CE1-CE 4.18Å; F270-M273 HydrophobicContact CE2-CE 3.79Å; F270-M273 HydrophobicContact CG-CE 3.68Å; F270-M273 HydrophobicContact CZ-CE 4.12Å; F270-M273 PolarHBondContact O-N 3.23Å; F270-I274 WeakPolarHBondContact O-CG1 3.08Å; F270-I274 WeakPolarHBondContact O-CG2 3.35Å; F270-I274 PolarHBondContact O-N 3.45Å
271S95.1Very high94.2Very high19 Ų1973 Ų7313%0.13336%0.361CS..Hα-helixtrans-55.9-45.1171.3-175.70000111.4V209 C210 I267 I268 I274 S275V209-S271 WeakPolarHBondContact O-CB 3.31Å; V209-S271 PolarHBondContact O-OG 3.37Å; V209-S271 VanDerWaalsContact O-OG 3.12Å; C210-S271 PolarHBondContact O-OG 2.65Å; C210-S271 VanDerWaalsContact O-OG 3.1Å; I267-S271 WeakPolarHBondContact O-CB 3.19Å; I267-S271 PolarHBondContact O-N 3.19Å; I268-S271 WeakPolarHBondContact O-CB 2.9Å; I268-S271 PolarHBondContact O-N 2.93Å; S271-I274 VanDerWaalsContact O-CG1 3.29Å; S271-I274 WeakPolarHBondContact O-CG1 3.22Å; S271-S275 WeakPolarHBondContact O-CB 3.36Å; S271-S275 PolarHBondContact O-N 2.69Å; S271-S275 VanDerWaalsContact O-N 3.17Å; S271-S275 PolarHBondContact O-OG 3.46Å
272G94.7Very high93.8Very high43 Ų4367.2 Ų67.244%0.44334%0.343SS..Hα-helixtrans-59.6-50.4172.600000112.3I268 N269 F270 I274 S275 D276I268-G272 PolarHBondContact O-N 3.14Å; N269-G272 PolarHBondContact O-N 2.6Å; F270-G272 VanDerWaalsContact C-N 3.29Å; F270-G272 PolarHBondContact O-N 2.89Å; G272-I274 PolarHBondContact O-N 3.07Å; G272-S275 PolarHBondContact O-N 3.41Å; G272-S275 VanDerWaalsContact O-N 3.17Å; G272-D276 PolarHBondContact O-N 3.12Å
273M94Very high93.5Very high69 Ų6964.8 Ų64.834%0.3434%0.34SS..Hα-helixtrans-61.6-37.9-179.6-71.3-173.8-85.400113.9I85 N269 F270 S275I85-M273 HydrophobicContact CD1-SD 4.45Å; I85-M273 HydrophobicContact CG1-CB 4.44Å; I85-M273 HydrophobicContact CG1-SD 4.37Å; N269-M273 HydrophobicContact CB-CE 4.39Å; N269-M273 WeakPolarHBondContact O-CG 3.34Å; N269-M273 PolarHBondContact O-N 2.87Å; F270-M273 HydrophobicContact CB-CE 4.32Å; F270-M273 HydrophobicContact CD1-CE 3.94Å; F270-M273 HydrophobicContact CD2-CE 3.56Å; F270-M273 HydrophobicContact CE1-CE 4.18Å; F270-M273 HydrophobicContact CE2-CE 3.79Å; F270-M273 HydrophobicContact CG-CE 3.68Å; F270-M273 HydrophobicContact CZ-CE 4.12Å; F270-M273 PolarHBondContact O-N 3.23Å; M273-S275 VanDerWaalsContact C-N 3.31Å
274I90.8Very high93.1Very high17 Ų1766 Ų669%0.08735%0.347CS..Hα-helixtrans-77-21.9178.664.9158.6000112.8P83 I85 L86 V209 F270 S271 G272P83-I274 HydrophobicContact CB-CG2 4.33Å; I85-I274 HydrophobicContact CG2-CG2 3.52Å; L86-I274 HydrophobicContact CD1-CG2 3.94Å; L86-I274 HydrophobicContact CD2-CG2 4.07Å; L86-I274 HydrophobicContact CG-CG2 3.85Å; V209-I274 HydrophobicContact CB-CD1 4.2Å; V209-I274 HydrophobicContact CG1-CD1 3.53Å; V209-I274 HydrophobicContact CG1-CG1 4.07Å; V209-I274 HydrophobicContact CG1-CG2 4.43Å; F270-I274 WeakPolarHBondContact O-CG1 3.08Å; F270-I274 WeakPolarHBondContact O-CG2 3.35Å; F270-I274 PolarHBondContact O-N 3.45Å; S271-I274 VanDerWaalsContact O-CG1 3.29Å; S271-I274 WeakPolarHBondContact O-CG1 3.22Å; G272-I274 PolarHBondContact O-N 3.07Å
275S88.8Confident92.8Very high70 Ų7062.9 Ų62.949%0.4933%0.334SS..Hα-helixtrans-83.9-28.1177.7-580000111.8S271 G272 M273 R277S271-S275 WeakPolarHBondContact O-CB 3.36Å; S271-S275 PolarHBondContact O-N 2.69Å; S271-S275 VanDerWaalsContact O-N 3.17Å; S271-S275 PolarHBondContact O-OG 3.46Å; G272-S275 PolarHBondContact O-N 3.41Å; G272-S275 VanDerWaalsContact O-N 3.17Å; M273-S275 VanDerWaalsContact C-N 3.31Å; S275-R277 VanDerWaalsContact C-N 3.34Å; S275-R277 PolarHBondContact O-N 3.5Å
276D91.3Very high92.6Very high146 Ų14664.4 Ų64.478%0.78134%0.339SS*.  trans-78.578.6176.9-168.49.8000111.5G272G272-D276 PolarHBondContact O-N 3.12Å
277R87.8Confident92.4Very high95 Ų9564.4 Ų64.436%0.35834%0.343SS..  trans-135145-179.261-171.9177.41773.2110.9S275 M279S275-R277 VanDerWaalsContact C-N 3.34Å; S275-R277 PolarHBondContact O-N 3.5Å; R277-M279 VanDerWaalsContact C-N 3.27Å; R277-M279 WeakPolarHBondContact CD-O 3.24Å; R277-M279 WeakPolarHBondContact CG-O 3.49Å; R277-M279 PolarHBondContact O-N 3.16Å
278I89.2Confident92.1Very high176 Ų17665.4 Ų65.490%0.90335%0.349SS*.SBendtrans-59.9-39.9178.7-62171.6000111.4
279M89.6Confident91.8Very high80 Ų8064.8 Ų64.839%0.39435%0.346SS..SBendtrans-145151179.459175.671.300110.3R277 N284R277-M279 VanDerWaalsContact C-N 3.27Å; R277-M279 WeakPolarHBondContact CD-O 3.24Å; R277-M279 WeakPolarHBondContact CG-O 3.49Å; R277-M279 PolarHBondContact O-N 3.16Å; M279-N284 HydrophobicContact CG-CB 3.88Å; M279-N284 WeakPolarHBondContact SD-CA 3.26Å; M279-N284 HydrophobicContact SD-CB 3.55Å; M279-N284 VanDerWaalsContact SD-CB 3.55Å; M279-N284 PolarHBondContact SD-OD1 2.89Å; M279-N284 VanDerWaalsContact SD-OD1 3.34Å
280D86.9Confident91.7Very high38 Ų3864.4 Ų64.420%0.20334%0.344CS..  trans-68.5156.6175.771.185.9000112.2I282 S283 N284D280-I282 VanDerWaalsContact C-N 3.27Å; D280-I282 PolarHBondContact O-N 2.87Å; D280-I282 WeakPolarHBondContact OD1-CB 3.22Å; D280-I282 PolarHBondContact OD1-N 3.43Å; D280-I282 VanDerWaalsContact OD1-N 3.07Å; D280-S283 VanDerWaalsContact CG-OG 3.28Å; D280-S283 PolarHBondContact O-N 2.59Å; D280-S283 PolarHBondContact OD1-N 3.14Å; D280-S283 PolarHBondContact OD1-OG 2.96Å; D280-S283 WeakPolarHBondContact OD2-CB 3.44Å; D280-S283 PolarHBondContact OD2-OG 2.95Å; D280-N284 WeakPolarHBondContact O-CB 3.35Å; D280-N284 PolarHBondContact O-N 3.02Å
281A88.2Confident91.5Very high14 Ų1467.1 Ų67.112%0.11636%0.356CS..Hα-helixtrans-61.5-33.8-174.200000113.1G285A281-G285 PolarHBondContact O-N 3.41Å
282I89.7Confident91.4Very high59 Ų5969.8 Ų69.830%0.30336%0.364SS..Hα-helixtrans-72-45.3178.7-59-56.1000110.1V99 D280 G285 K286V99-I282 HydrophobicContact CG1-CD1 3.6Å; D280-I282 VanDerWaalsContact C-N 3.27Å; D280-I282 PolarHBondContact O-N 2.87Å; D280-I282 WeakPolarHBondContact OD1-CB 3.22Å; D280-I282 PolarHBondContact OD1-N 3.43Å; D280-I282 VanDerWaalsContact OD1-N 3.07Å; I282-G285 PolarHBondContact O-N 3.34Å; I282-K286 HydrophobicContact CG2-CD 4.35Å; I282-K286 WeakPolarHBondContact O-CG 3.47Å; I282-K286 PolarHBondContact O-N 3.1Å
283S91.7Very high91.3Very high52 Ų5273.4 Ų73.436%0.36437%0.372SS..Hα-helixtrans-62.8-41.1175.2-65.20000111.9D280 K286 F287D280-S283 VanDerWaalsContact CG-OG 3.28Å; D280-S283 PolarHBondContact O-N 2.59Å; D280-S283 PolarHBondContact OD1-N 3.14Å; D280-S283 PolarHBondContact OD1-OG 2.96Å; D280-S283 WeakPolarHBondContact OD2-CB 3.44Å; D280-S283 PolarHBondContact OD2-OG 2.95Å; S283-K286 PolarHBondContact O-N 3.1Å; S283-F287 WeakPolarHBondContact O-CB 3.4Å; S283-F287 PolarHBondContact O-N 2.85Å
284N91.2Very high91.4Very high45 Ų4576.4 Ų76.424%0.24138%0.38CS..Hα-helixtrans-61.2-46.9173.6-172.849.3000111.6M279 D280 K286 F287 C288M279-N284 HydrophobicContact CG-CB 3.88Å; M279-N284 WeakPolarHBondContact SD-CA 3.26Å; M279-N284 HydrophobicContact SD-CB 3.55Å; M279-N284 VanDerWaalsContact SD-CB 3.55Å; M279-N284 PolarHBondContact SD-OD1 2.89Å; M279-N284 VanDerWaalsContact SD-OD1 3.34Å; D280-N284 WeakPolarHBondContact O-CB 3.35Å; D280-N284 PolarHBondContact O-N 3.02Å; N284-K286 PolarHBondContact O-N 3.39Å; N284-F287 WeakPolarHBondContact O-CB 3.27Å; N284-F287 PolarHBondContact O-N 3.28Å; N284-F287 VanDerWaalsContact O-N 3.14Å; N284-C288 PolarHBondContact O-N 3.45Å; N284-C288 PolarHBondContact O-SG 3.04Å; N284-C288 VanDerWaalsContact O-SG 3.38Å
285G92.3Very high91.6Very high2 Ų279.8 Ų79.82%0.02140%0.395CS..Hα-helixtrans-57.6-48.6175.700000112.6A281 I282 F287 C288 I289A281-G285 PolarHBondContact O-N 3.41Å; I282-G285 PolarHBondContact O-N 3.34Å; G285-F287 VanDerWaalsContact C-N 3.3Å; G285-F287 PolarHBondContact O-N 3.35Å; G285-C288 PolarHBondContact O-N 2.76Å; G285-I289 WeakPolarHBondContact O-CB 3.45Å; G285-I289 VanDerWaalsContact O-CG1 3.24Å; G285-I289 WeakPolarHBondContact O-CG1 3.32Å; G285-I289 PolarHBondContact O-N 3.48Å
286K93.7Very high91.5Very high131 Ų13180.2 Ų80.257%0.5740%0.396SS*.Hα-helixtrans-57.3-44.2174.5-74.1173.6179.3174.90111.4I282 S283 N284 N290I282-K286 HydrophobicContact CG2-CD 4.35Å; I282-K286 WeakPolarHBondContact O-CG 3.47Å; I282-K286 PolarHBondContact O-N 3.1Å; S283-K286 PolarHBondContact O-N 3.1Å; N284-K286 PolarHBondContact O-N 3.39Å; K286-N290 VanDerWaalsContact O-CB 3.22Å; K286-N290 WeakPolarHBondContact O-CB 3.36Å; K286-N290 PolarHBondContact O-N 3.04Å; K286-N290 PolarHBondContact O-ND2 3.32Å
287F93.9Very high91.4Very high108 Ų10877.9 Ų77.947%0.47439%0.391SS..Hα-helixtrans-61-50.9178.1176.8-92.9000111.8S283 N284 G285 N290 F291S283-F287 WeakPolarHBondContact O-CB 3.4Å; S283-F287 PolarHBondContact O-N 2.85Å; N284-F287 WeakPolarHBondContact O-CB 3.27Å; N284-F287 PolarHBondContact O-N 3.28Å; N284-F287 VanDerWaalsContact O-N 3.14Å; G285-F287 VanDerWaalsContact C-N 3.3Å; G285-F287 PolarHBondContact O-N 3.35Å; F287-N290 PolarHBondContact O-N 3.11Å; F287-F291 VanDerWaalsContact O-CB 3.32Å; F287-F291 WeakPolarHBondContact O-CB 3.16Å; F287-F291 PolarHBondContact O-N 3.35Å
288C92.4Very high91.4Very high20 Ų2074 Ų7414%0.13538%0.379CS..Hα-helixtrans-62.8-43.2-179.6-68.40000112.5Y77 F97 N284 G285 F291 Y292Y77-C288 VanDerWaalsContact CE2-O 3.27Å; Y77-C288 WeakPolarHBondContact CE2-O 3.41Å; Y77-C288 PolarHBondContact OH-O 2.95Å; Y77-C288 VanDerWaalsContact OH-O 3.1Å; F97-C288 HydrophobicContact CD1-CB 3.67Å; F97-C288 HydrophobicContact CD2-CB 4.38Å; F97-C288 HydrophobicContact CE1-CB 3.4Å; F97-C288 HydrophobicContact CE2-CB 4.18Å; F97-C288 HydrophobicContact CG-CB 4.15Å; F97-C288 HydrophobicContact CZ-CB 3.69Å; N284-C288 PolarHBondContact O-N 3.45Å; N284-C288 PolarHBondContact O-SG 3.04Å; N284-C288 VanDerWaalsContact O-SG 3.38Å; G285-C288 PolarHBondContact O-N 2.76Å; C288-F291 WeakPolarHBondContact O-CB 3.48Å; C288-F291 PolarHBondContact O-N 3.49Å; C288-Y292 PolarHBondContact O-N 2.96Å; C288-Y292 VanDerWaalsContact O-N 3.09Å
289I92.3Very high91Very high76 Ų7666.7 Ų66.739%0.3934%0.342SS..Hα-helixtrans-62.7-50.5176.2-68.2166.8000109.9F97 G285 F291 Y292 L293F97-I289 HydrophobicContact CZ-CG1 4.18Å; G285-I289 WeakPolarHBondContact O-CB 3.45Å; G285-I289 VanDerWaalsContact O-CG1 3.24Å; G285-I289 WeakPolarHBondContact O-CG1 3.32Å; G285-I289 PolarHBondContact O-N 3.48Å; I289-F291 VanDerWaalsContact C-N 3.26Å; I289-F291 PolarHBondContact O-N 3.34Å; I289-Y292 PolarHBondContact O-N 3.37Å; I289-Y292 VanDerWaalsContact O-N 3.11Å; I289-L293 HydrophobicContact CG2-CD1 4.33Å; I289-L293 WeakPolarHBondContact O-CG 3.44Å; I289-L293 PolarHBondContact O-N 2.94Å
290N95.2Very high90.7Very high77 Ų7769.1 Ų69.141%0.41236%0.357SS..Hα-helixtrans-63.9-32.6178.8-71.4-25.4000112.1K286 F287 L293 R294K286-N290 VanDerWaalsContact O-CB 3.22Å; K286-N290 WeakPolarHBondContact O-CB 3.36Å; K286-N290 PolarHBondContact O-N 3.04Å; K286-N290 PolarHBondContact O-ND2 3.32Å; F287-N290 PolarHBondContact O-N 3.11Å; N290-L293 PolarHBondContact O-N 3.19Å; N290-R294 VanDerWaalsContact CB-NH1 3.3Å; N290-R294 WeakPolarHBondContact O-CG 3.35Å; N290-R294 PolarHBondContact O-N 3.45Å; N290-R294 PolarHBondContact O-NH1 3.09Å
291F93.7Very high90.7Very high73 Ų7377.9 Ų77.932%0.3239%0.387SS..Hα-helixtrans-60.6-45.6173.1179.3-85.6000111.4F287 C288 I289 L293 R294 H295F287-F291 VanDerWaalsContact O-CB 3.32Å; F287-F291 WeakPolarHBondContact O-CB 3.16Å; F287-F291 PolarHBondContact O-N 3.35Å; C288-F291 WeakPolarHBondContact O-CB 3.48Å; C288-F291 PolarHBondContact O-N 3.49Å; I289-F291 VanDerWaalsContact C-N 3.26Å; I289-F291 PolarHBondContact O-N 3.34Å; F291-L293 VanDerWaalsContact C-N 3.35Å; F291-L293 PolarHBondContact O-N 2.92Å; F291-R294 VanDerWaalsContact CA-NH2 3.3Å; F291-R294 PolarHBondContact O-N 2.8Å; F291-H295 AromaticContact CD2-CD2 3.88Å; F291-H295 AromaticContact CE2-CD2 3.67Å; F291-H295 AromaticContact CZ-CD2 3.86Å; F291-H295 PolarHBondContact O-CD2 3.12Å; F291-H295 PolarHBondContact O-N 3.37Å
292Y91.3Very high90.5Very high75 Ų7578.3 Ų78.329%0.29439%0.387SS..Hα-helixtrans-63.2-41.6176173.9-107000112.2A76 Y77 C288 I289 R294 H295 P296 T299A76-Y292 HydrophobicContact CB-CD2 4.5Å; A76-Y292 HydrophobicContact CB-CE2 4.22Å; Y77-Y292 HydrophobicContact CE2-CG 4.27Å; C288-Y292 PolarHBondContact O-N 2.96Å; C288-Y292 VanDerWaalsContact O-N 3.09Å; I289-Y292 PolarHBondContact O-N 3.37Å; I289-Y292 VanDerWaalsContact O-N 3.11Å; Y292-R294 VanDerWaalsContact C-N 3.3Å; Y292-R294 PolarHBondContact O-N 3.38Å; Y292-H295 CarbonylContact O-C 3.52Å; Y292-H295 PolarHBondContact O-N 2.81Å; Y292-H295 VanDerWaalsContact O-N 3.1Å; Y292-P296 WeakPolarHBondContact CE2-O 3.28Å; Y292-P296 WeakPolarHBondContact O-CA 3.35Å; Y292-P296 VanDerWaalsContact O-N 3.09Å; Y292-T299 HydrophobicContact CD2-CG2 4.13Å; Y292-T299 HydrophobicContact CE2-CG2 3.27Å
293L93.4Very high90.3Very high119 Ų11978.6 Ų78.662%0.62339%0.386SS*.Hα-helixtrans-63.3-35176.7-65.1177.3000112.8I289 N290 F291 H295I289-L293 HydrophobicContact CG2-CD1 4.33Å; I289-L293 WeakPolarHBondContact O-CG 3.44Å; I289-L293 PolarHBondContact O-N 2.94Å; N290-L293 PolarHBondContact O-N 3.19Å; F291-L293 VanDerWaalsContact C-N 3.35Å; F291-L293 PolarHBondContact O-N 2.92Å; L293-H295 VanDerWaalsContact C-N 3.35Å
294R95.9Very high89.8Confident131 Ų13178.9 Ų78.949%0.49438%0.384SS..Hα-helixtrans-72.4-28173.3-70.9-174.7-59-91.12.6113.1N290 F291 Y292N290-R294 VanDerWaalsContact CB-NH1 3.3Å; N290-R294 WeakPolarHBondContact O-CG 3.35Å; N290-R294 PolarHBondContact O-N 3.45Å; N290-R294 PolarHBondContact O-NH1 3.09Å; F291-R294 VanDerWaalsContact CA-NH2 3.3Å; F291-R294 PolarHBondContact O-N 2.8Å; Y292-R294 VanDerWaalsContact C-N 3.3Å; Y292-R294 PolarHBondContact O-N 3.38Å
295H94.3Very high89.4Confident88 Ų8885.4 Ų85.441%0.40741%0.41SS..  trans-134.366.7-173.2-53.6-64.8000111.4F291 Y292 L293 S297 S298F291-H295 AromaticContact CD2-CD2 3.88Å; F291-H295 AromaticContact CE2-CD2 3.67Å; F291-H295 AromaticContact CZ-CD2 3.86Å; F291-H295 PolarHBondContact O-CD2 3.12Å; F291-H295 PolarHBondContact O-N 3.37Å; Y292-H295 CarbonylContact O-C 3.52Å; Y292-H295 PolarHBondContact O-N 2.81Å; Y292-H295 VanDerWaalsContact O-N 3.1Å; L293-H295 VanDerWaalsContact C-N 3.35Å; H295-S297 PolarHBondContact O-N 3.49Å; H295-S297 VanDerWaalsContact O-N 3.16Å; H295-S298 WeakPolarHBondContact O-CB 3.42Å; H295-S298 PolarHBondContact O-N 2.81Å; H295-S298 PolarHBondContact O-OG 2.83Å
296P87.5Confident89Confident80 Ų8086.1 Ų86.152%0.51942%0.417SS..G310 helixtrans-63-28.2-171.422.7-33.7000113.8Y292 S298 T299Y292-P296 WeakPolarHBondContact CE2-O 3.28Å; Y292-P296 WeakPolarHBondContact O-CA 3.35Å; Y292-P296 VanDerWaalsContact O-N 3.09Å; P296-S298 PolarHBondContact O-N 2.76Å; P296-T299 PolarHBondContact O-OG1 3.38Å
297S89.2Confident88.3Confident96 Ų9680.3 Ų80.367%0.67139%0.393SS*.G310 helixtrans-73.7-4.8175.757.90000114.2H295 T299H295-S297 PolarHBondContact O-N 3.49Å; H295-S297 VanDerWaalsContact O-N 3.16Å; S297-T299 PolarHBondContact O-N 2.98Å
298S86.8Confident87.7Confident14 Ų1479.9 Ų79.910%0.09840%0.399CS..G310 helixtrans-68-20.2178.863.20000113.7H295 P296 N300 R301 I302H295-S298 WeakPolarHBondContact O-CB 3.42Å; H295-S298 PolarHBondContact O-N 2.81Å; H295-S298 PolarHBondContact O-OG 2.83Å; P296-S298 PolarHBondContact O-N 2.76Å; S298-N300 VanDerWaalsContact C-N 3.27Å; S298-N300 PolarHBondContact O-N 3.15Å; S298-R301 WeakPolarHBondContact O-CA 3.2Å; S298-R301 WeakPolarHBondContact O-CB 3.24Å; S298-R301 PolarHBondContact O-N 3.45Å; S298-I302 PolarHBondContact O-N 3.13Å; S298-I302 VanDerWaalsContact O-N 3.17Å
299T82.7Confident87.3Confident22 Ų2282 Ų8214%0.13541%0.408CS..Hα-helixtrans-47.7-46.617833.80000113.3A76 Y292 P296 S297 R301 I302 K303A76-T299 HydrophobicContact CB-CG2 3.45Å; A76-T299 VanDerWaalsContact CB-CG2 3.45Å; Y292-T299 HydrophobicContact CD2-CG2 4.13Å; Y292-T299 HydrophobicContact CE2-CG2 3.27Å; P296-T299 PolarHBondContact O-OG1 3.38Å; S297-T299 PolarHBondContact O-N 2.98Å; T299-R301 PolarHBondContact O-N 2.83Å; T299-R301 VanDerWaalsContact O-N 3.14Å; T299-I302 PolarHBondContact O-N 3.08Å; T299-K303 WeakPolarHBondContact O-CB 3.23Å; T299-K303 WeakPolarHBondContact O-CG 3.49Å; T299-K303 PolarHBondContact O-N 2.94Å
300N83.2Confident86.9Confident132 Ų13281.2 Ų81.271%0.70641%0.405SS*.Hα-helixtrans-65.3-16.7-179.5-69.8-20.1000113.6S298S298-N300 VanDerWaalsContact C-N 3.27Å; S298-N300 PolarHBondContact O-N 3.15Å
301R85.1Confident86.1Confident221 Ų22179.8 Ų79.883%0.83440%0.398SS*.Hα-helixtrans-97-27.6179-59.4-175.7-179.2-90.70.9113.1S298 T299S298-R301 WeakPolarHBondContact O-CA 3.2Å; S298-R301 WeakPolarHBondContact O-CB 3.24Å; S298-R301 PolarHBondContact O-N 3.45Å; T299-R301 PolarHBondContact O-N 2.83Å; T299-R301 VanDerWaalsContact O-N 3.14Å
302I85.9Confident85.6Confident24 Ų2481.6 Ų81.612%0.12341%0.405CS..Hα-helixtrans-97-24.4-176.964174.3000113A76 Y77 V94 N95 S298 T299 L304A76-I302 WeakPolarHBondContact O-CD1 3.41Å; Y77-I302 HydrophobicContact CD1-CD1 3.9Å; Y77-I302 HydrophobicContact CE1-CD1 3.47Å; Y77-I302 VanDerWaalsContact CE1-CD1 3.47Å; V94-I302 HydrophobicContact CG2-CB 4.15Å; V94-I302 HydrophobicContact CG2-CG2 4.2Å; N95-I302 HydrophobicContact CB-CB 4.02Å; N95-I302 HydrophobicContact CB-CD1 4.24Å; N95-I302 HydrophobicContact CB-CG1 4.17Å; N95-I302 WeakPolarHBondContact CB-O 3.44Å; S298-I302 PolarHBondContact O-N 3.13Å; S298-I302 VanDerWaalsContact O-N 3.17Å; T299-I302 PolarHBondContact O-N 3.08Å; I302-L304 PolarHBondContact O-N 3.02Å
303K83.7Confident85.5Confident64 Ų6480.1 Ų80.128%0.27840%0.404SS..SBendtrans-66.7131.9176.6-77.8-177.8173.2-170.40111N74 G75 T299 K305N74-K303 VanDerWaalsContact O-CE 3.26Å; N74-K303 WeakPolarHBondContact O-CE 3.47Å; N74-K303 PolarHBondContact O-NZ 3.48Å; G75-K303 VanDerWaalsContact O-CE 3.24Å; G75-K303 WeakPolarHBondContact O-CE 3.34Å; T299-K303 WeakPolarHBondContact O-CB 3.23Å; T299-K303 WeakPolarHBondContact O-CG 3.49Å; T299-K303 PolarHBondContact O-N 2.94Å; K303-K305 PolarHBondContact O-N 3.14Å
304L82.7Confident85.2Confident59 Ų5979.7 Ų79.731%0.30940%0.395SS..  trans-73.5112.4174-72.2179.6000110V10 T93 I302 G306 T307V10-L304 HydrophobicContact CG1-CD1 4.47Å; V10-L304 HydrophobicContact CG2-CD1 4.06Å; T93-L304 HydrophobicContact CG2-CD1 3.76Å; T93-L304 HydrophobicContact CG2-CG 4.29Å; I302-L304 PolarHBondContact O-N 3.02Å; L304-G306 PolarHBondContact O-N 3.2Å; L304-G306 VanDerWaalsContact O-N 3.15Å; L304-T307 HydrophobicContact CB-CG2 3.71Å; L304-T307 HydrophobicContact CD1-CG2 4.49Å; L304-T307 PolarHBondContact O-N 3.28Å; L304-T307 VanDerWaalsContact O-N 3.08Å; L304-T307 PolarHBondContact O-OG1 2.86Å
305K83.1Confident84.8Confident181 Ų18176 Ų7679%0.78739%0.39SS*.G310 helixtrans-61.5-23.5177.9-64.4-175.6179.9-178.70113.5K303 T307 V308K303-K305 PolarHBondContact O-N 3.14Å; K305-T307 PolarHBondContact O-N 3.17Å; K305-V308 WeakPolarHBondContact O-CG2 2.87Å
306G83.1Confident84.6Confident18 Ų1875.3 Ų75.319%0.18639%0.394CS..G310 helixtrans-62-31.6175.700000112.6H11 L304 V308 L309H11-G306 PolarHBondContact NE2-O 3.15Å; L304-G306 PolarHBondContact O-N 3.2Å; L304-G306 VanDerWaalsContact O-N 3.15Å; G306-V308 PolarHBondContact O-N 3.21Å; G306-L309 VanDerWaalsContact O-CB 3.24Å; G306-L309 WeakPolarHBondContact O-CB 3.33Å; G306-L309 WeakPolarHBondContact O-CG 3.44Å; G306-L309 PolarHBondContact O-N 3.33Å
307T79.3Confident84.8Confident9 Ų977.4 Ų77.46%0.05539%0.392CS..G310 helixtrans-60.7-21.2-16858.40000114.9L3 A9 H11 T73 L304 K305L3-T307 WeakPolarHBondContact CD2-O 3.38Å; A9-T307 WeakPolarHBondContact O-CG2 3.45Å; H11-T307 VanDerWaalsContact CE1-CA 3.49Å; H11-T307 WeakPolarHBondContact CE1-CA 3.15Å; H11-T307 WeakPolarHBondContact NE2-CA 3.08Å; H11-T307 PolarHBondContact NE2-N 3.34Å; T73-T307 WeakPolarHBondContact CG2-O 3.41Å; L304-T307 HydrophobicContact CB-CG2 3.71Å; L304-T307 HydrophobicContact CD1-CG2 4.49Å; L304-T307 PolarHBondContact O-N 3.28Å; L304-T307 VanDerWaalsContact O-N 3.08Å; L304-T307 PolarHBondContact O-OG1 2.86Å; K305-T307 PolarHBondContact O-N 3.17Å
308V80.6Confident84.9Confident99 Ų9975.9 Ų75.960%0.638%0.377SS*.G310 helixtrans-90-4.7177.7-60.40000113.4T73 K305 G306T73-V308 HydrophobicContact CG2-CG1 4.37Å; K305-V308 WeakPolarHBondContact O-CG2 2.87Å; G306-V308 PolarHBondContact O-N 3.21Å
309L85Confident85.3Confident63 Ų6378.3 Ų78.333%0.3339%0.39SS..SBendtrans-88146179.6-54.2179.9000110.5P4 G306 T313 Y314P4-L309 WeakPolarHBondContact CD-O 3.33Å; G306-L309 VanDerWaalsContact O-CB 3.24Å; G306-L309 WeakPolarHBondContact O-CB 3.33Å; G306-L309 WeakPolarHBondContact O-CG 3.44Å; G306-L309 PolarHBondContact O-N 3.33Å; L309-T313 HydrophobicContact CD1-CG2 4.39Å; L309-T313 HydrophobicContact CD2-CG2 4.02Å; L309-Y314 HydrophobicContact CD1-CD2 4.49Å
310N82.3Confident85.9Confident60 Ų6082.3 Ų82.332%0.32141%0.406SS..  trans-77.2163.9167.166.964.1000110.1F312 T313 Y314N310-F312 PolarHBondContact O-N 3.28Å; N310-F312 WeakPolarHBondContact OD1-CA 3.41Å; N310-F312 VanDerWaalsContact OD1-CB 3.28Å; N310-F312 WeakPolarHBondContact OD1-CB 3.4Å; N310-F312 PolarHBondContact OD1-N 3.28Å; N310-T313 PolarHBondContact ND2-OG1 3.27Å; N310-T313 PolarHBondContact O-N 3.17Å; N310-T313 PolarHBondContact OD1-N 2.95Å; N310-Y314 WeakPolarHBondContact O-CB 3.44Å; N310-Y314 PolarHBondContact O-N 2.62Å
311N78.7Confident86.4Confident48 Ų4879.7 Ų79.726%0.25740%0.396SS..Hα-helixtrans-54.2-37.4179.9-89.2-39.8000114P4 Y40 S315P4-N311 VanDerWaalsContact CB-CG 3.47Å; P4-N311 WeakPolarHBondContact CB-OD1 3.41Å; Y40-N311 PolarHBondContact OH-ND2 2.99Å; N311-S315 PolarHBondContact O-N 3.16Å; N311-S315 VanDerWaalsContact O-N 3.12Å; N311-S315 PolarHBondContact O-OG 3.37Å
312F83.8Confident86.9Confident110 Ų11074.1 Ų74.148%0.48238%0.383SS..Hα-helixtrans-67.5-47.3-175.8-171.8-105.1000111.2N310 C316 Y317 D318N310-F312 PolarHBondContact O-N 3.28Å; N310-F312 WeakPolarHBondContact OD1-CA 3.41Å; N310-F312 VanDerWaalsContact OD1-CB 3.28Å; N310-F312 WeakPolarHBondContact OD1-CB 3.4Å; N310-F312 PolarHBondContact OD1-N 3.28Å; F312-C316 PolarHBondContact O-N 2.85Å; F312-Y317 VanDerWaalsContact CD2-CB 3.41Å; F312-Y317 HydrophobicContact CD2-CD2 4.32Å; F312-Y317 HydrophobicContact CD2-CG 4.25Å; F312-Y317 HydrophobicContact CE2-CG 4.37Å; F312-Y317 WeakPolarHBondContact O-CB 3.47Å; F312-Y317 PolarHBondContact O-N 2.98Å; F312-D318 HydrophobicContact CD1-CB 3.73Å; F312-D318 HydrophobicContact CE1-CB 3.48Å; F312-D318 VanDerWaalsContact CE1-CB 3.48Å; F312-D318 VanDerWaalsContact CE1-N 3.35Å; F312-D318 HydrophobicContact CZ-CB 4.49Å
313T89.6Confident87.2Confident44 Ų4476.9 Ų76.927%0.2740%0.397SS..Hα-helixtrans-73.4-37.3175.2-59.50000112.4L309 N310 S315 C316 D318L309-T313 HydrophobicContact CD1-CG2 4.39Å; L309-T313 HydrophobicContact CD2-CG2 4.02Å; N310-T313 PolarHBondContact ND2-OG1 3.27Å; N310-T313 PolarHBondContact O-N 3.17Å; N310-T313 PolarHBondContact OD1-N 2.95Å; T313-S315 VanDerWaalsContact C-N 3.26Å; T313-S315 PolarHBondContact O-N 3.33Å; T313-C316 PolarHBondContact O-N 3.38Å; T313-D318 WeakPolarHBondContact CA-OD2 3.26Å; T313-D318 VanDerWaalsContact CB-OD2 3.26Å; T313-D318 WeakPolarHBondContact CB-OD2 3.37Å; T313-D318 VanDerWaalsContact CG2-OD2 3.25Å; T313-D318 WeakPolarHBondContact CG2-OD2 3.46Å; T313-D318 PolarHBondContact OG1-OD2 3.41Å
314Y86.6Confident87.7Confident110 Ų11082.3 Ų82.343%0.43142%0.416SS..Hα-helixtrans-59.4-38.2178.1179.3-101.4000112.1H11 L309 N310 C316H11-Y314 HydrophobicContact CB-CE1 4.24Å; H11-Y314 HydrophobicContact CB-CE2 4.44Å; H11-Y314 AromaticContact CD2-CD2 3.47Å; H11-Y314 VanDerWaalsContact CD2-CD2 3.47Å; H11-Y314 WeakPolarHBondContact CD2-CD2 3.14Å; H11-Y314 AromaticContact CD2-CE2 3.44Å; H11-Y314 VanDerWaalsContact CD2-CE2 3.44Å; H11-Y314 WeakPolarHBondContact CD2-CE2 3.18Å; H11-Y314 AromaticContact CD2-CZ 3.93Å; L309-Y314 HydrophobicContact CD1-CD2 4.49Å; N310-Y314 WeakPolarHBondContact O-CB 3.44Å; N310-Y314 PolarHBondContact O-N 2.62Å; Y314-C316 VanDerWaalsContact C-N 3.33Å
315S86.9Confident88.2Confident55 Ų5584 Ų8439%0.38543%0.429SS..THydrogen-bonded Turntrans-90.49.8175.3-620000113.9N311 T313 Y317N311-S315 PolarHBondContact O-N 3.16Å; N311-S315 VanDerWaalsContact O-N 3.12Å; N311-S315 PolarHBondContact O-OG 3.37Å; T313-S315 VanDerWaalsContact C-N 3.26Å; T313-S315 PolarHBondContact O-N 3.33Å; S315-Y317 VanDerWaalsContact CB-CD2 3.47Å; S315-Y317 PolarHBondContact O-N 3.32Å; S315-Y317 VanDerWaalsContact O-N 3.17Å
316C90.9Very high88.8Confident73 Ų7379.4 Ų79.449%0.49341%0.412SS..THydrogen-bonded Turntrans56.624.5-178.7-57.10000114.5F312 T313 Y314 D318 V319F312-C316 PolarHBondContact O-N 2.85Å; T313-C316 PolarHBondContact O-N 3.38Å; Y314-C316 VanDerWaalsContact C-N 3.33Å; C316-D318 VanDerWaalsContact C-OD1 3.31Å; C316-D318 WeakPolarHBondContact CA-OD1 3.25Å; C316-D318 PolarHBondContact O-N 3.28Å; C316-V319 HydrophobicContact CB-CG2 4.2Å; C316-V319 PolarHBondContact O-N 3.37Å; C316-V319 VanDerWaalsContact O-N 3.11Å
317Y91.2Very high89.2Confident123 Ų12384.4 Ų84.448%0.48243%0.434SS..G310 helixtrans-66.2-24.8179.5-70.5-59.8000112.2F312 S315 V319 F320F312-Y317 VanDerWaalsContact CD2-CB 3.41Å; F312-Y317 HydrophobicContact CD2-CD2 4.32Å; F312-Y317 HydrophobicContact CD2-CG 4.25Å; F312-Y317 HydrophobicContact CE2-CG 4.37Å; F312-Y317 WeakPolarHBondContact O-CB 3.47Å; F312-Y317 PolarHBondContact O-N 2.98Å; S315-Y317 VanDerWaalsContact CB-CD2 3.47Å; S315-Y317 PolarHBondContact O-N 3.32Å; S315-Y317 VanDerWaalsContact O-N 3.17Å; Y317-V319 PolarHBondContact O-N 2.76Å; Y317-F320 AromaticContact CD1-CD2 3.76Å; Y317-F320 HydrophobicContact CD1-CD2 3.76Å; Y317-F320 AromaticContact CD1-CE2 3.42Å; Y317-F320 HydrophobicContact CD1-CE2 3.42Å; Y317-F320 VanDerWaalsContact CD1-CE2 3.42Å; Y317-F320 AromaticContact CE1-CE2 3.95Å; Y317-F320 HydrophobicContact CE1-CE2 3.95Å; Y317-F320 HydrophobicContact CG-CE2 4.38Å; Y317-F320 PolarHBondContact O-N 3.11Å
318D92.1Very high89.8Confident65 Ų6592 Ų9235%0.34847%0.467SS..G310 helixtrans-66.7-17.7173.450-3.6000114.4F312 T313 C316 P321F312-D318 HydrophobicContact CD1-CB 3.73Å; F312-D318 HydrophobicContact CE1-CB 3.48Å; F312-D318 VanDerWaalsContact CE1-CB 3.48Å; F312-D318 VanDerWaalsContact CE1-N 3.35Å; F312-D318 HydrophobicContact CZ-CB 4.49Å; T313-D318 WeakPolarHBondContact CA-OD2 3.26Å; T313-D318 VanDerWaalsContact CB-OD2 3.26Å; T313-D318 WeakPolarHBondContact CB-OD2 3.37Å; T313-D318 VanDerWaalsContact CG2-OD2 3.25Å; T313-D318 WeakPolarHBondContact CG2-OD2 3.46Å; T313-D318 PolarHBondContact OG1-OD2 3.41Å; C316-D318 VanDerWaalsContact C-OD1 3.31Å; C316-D318 WeakPolarHBondContact CA-OD1 3.25Å; C316-D318 PolarHBondContact O-N 3.28Å; D318-P321 WeakPolarHBondContact O-CD 3.39Å
319V95.4Very high90.2Very high64 Ų6491.3 Ų91.339%0.38847%0.466SS..G310 helixtrans-87-23.6178.8-172.20000112.1C316 Y317 P321 L322 L323C316-V319 HydrophobicContact CB-CG2 4.2Å; C316-V319 PolarHBondContact O-N 3.37Å; C316-V319 VanDerWaalsContact O-N 3.11Å; Y317-V319 PolarHBondContact O-N 2.76Å; V319-P321 VanDerWaalsContact C-CD 3.5Å; V319-L322 PolarHBondContact O-N 3.18Å; V319-L322 VanDerWaalsContact O-N 3.11Å; V319-L323 HydrophobicContact CG1-CD1 4.33Å; V319-L323 HydrophobicContact CG1-CG 4.24Å; V319-L323 PolarHBondContact O-N 3.42Å; V319-L323 VanDerWaalsContact O-N 3.13Å
320F94.2Very high90.1Very high106 Ų10694.9 Ų94.947%0.46549%0.485SS..Hα-helixtrans-58-38.9-177.9-73.6-59.8000115.1Y317 L322 L323 R324Y317-F320 AromaticContact CD1-CD2 3.76Å; Y317-F320 HydrophobicContact CD1-CD2 3.76Å; Y317-F320 AromaticContact CD1-CE2 3.42Å; Y317-F320 HydrophobicContact CD1-CE2 3.42Å; Y317-F320 VanDerWaalsContact CD1-CE2 3.42Å; Y317-F320 AromaticContact CE1-CE2 3.95Å; Y317-F320 HydrophobicContact CE1-CE2 3.95Å; Y317-F320 HydrophobicContact CG-CE2 4.38Å; Y317-F320 PolarHBondContact O-N 3.11Å; F320-L322 VanDerWaalsContact C-N 3.3Å; F320-L322 PolarHBondContact O-N 3.2Å; F320-L323 HydrophobicContact CD1-CD1 4.21Å; F320-L323 PolarHBondContact O-N 2.96Å; F320-R324 WeakPolarHBondContact O-CG 3.45Å; F320-R324 PolarHBondContact O-N 3.3Å
321P94.5Very high89.8Confident77 Ų7796 Ų9650%0.550%0.497SS..Hα-helixtrans-56.6-42.4174.3-26.836.1000112.9D318 V319 R324 V325D318-P321 WeakPolarHBondContact O-CD 3.39Å; V319-P321 VanDerWaalsContact C-CD 3.5Å; P321-R324 PolarHBondContact O-N 3.13Å; P321-V325 WeakPolarHBondContact O-CG2 3.16Å; P321-V325 PolarHBondContact O-N 3.39Å
322L94.5Very high89.4Confident105 Ų10598.4 Ų98.455%0.5552%0.515SS..Hα-helixtrans-66.8-44.2177.7179.263.1000111.6V319 F320 R324 V325 L326V319-L322 PolarHBondContact O-N 3.18Å; V319-L322 VanDerWaalsContact O-N 3.11Å; F320-L322 VanDerWaalsContact C-N 3.3Å; F320-L322 PolarHBondContact O-N 3.2Å; L322-R324 VanDerWaalsContact C-N 3.29Å; L322-R324 PolarHBondContact O-N 3Å; L322-V325 PolarHBondContact O-N 3.11Å; L322-L326 HydrophobicContact CD1-CD1 4.42Å; L322-L326 HydrophobicContact CD1-CG 4.42Å; L322-L326 HydrophobicContact CG-CD1 4.17Å; L322-L326 WeakPolarHBondContact O-CG 3.49Å; L322-L326 PolarHBondContact O-N 3.38Å
323L93.9Very high88.5Confident82 Ų8297.9 Ų97.943%0.42953%0.531SS..Hα-helixtrans-60.1-39.5177-69.9173.8000111.9V319 F320 L326 L327V319-L323 HydrophobicContact CG1-CD1 4.33Å; V319-L323 HydrophobicContact CG1-CG 4.24Å; V319-L323 PolarHBondContact O-N 3.42Å; V319-L323 VanDerWaalsContact O-N 3.13Å; F320-L323 HydrophobicContact CD1-CD1 4.21Å; F320-L323 PolarHBondContact O-N 2.96Å; L323-L326 PolarHBondContact O-N 2.96Å; L323-L327 WeakPolarHBondContact O-CB 3.45Å; L323-L327 VanDerWaalsContact O-CG 3.26Å; L323-L327 WeakPolarHBondContact O-CG 3.45Å; L323-L327 PolarHBondContact O-N 2.96Å
324R92.8Very high87Confident178 Ų178102.7 Ų102.767%0.67255%0.553SS**Hα-helixtrans-61.1-47.5174.6-76-174.8179.2-168.30.3111.6F320 P321 L322 L326 L327 F328F320-R324 WeakPolarHBondContact O-CG 3.45Å; F320-R324 PolarHBondContact O-N 3.3Å; P321-R324 PolarHBondContact O-N 3.13Å; L322-R324 VanDerWaalsContact C-N 3.29Å; L322-R324 PolarHBondContact O-N 3Å; R324-L326 VanDerWaalsContact C-N 3.34Å; R324-L326 PolarHBondContact O-N 3.3Å; R324-L327 PolarHBondContact O-N 3.45Å; R324-F328 WeakPolarHBondContact O-CD2 3.26Å; R324-F328 PolarHBondContact O-N 3.38Å
325V94.9Very high85.8Confident95 Ų95104.5 Ų104.558%0.57657%0.57SS**Hα-helixtrans-59.2-45.8178.5172.60000111.3P321 L322 F328 S329P321-V325 WeakPolarHBondContact O-CG2 3.16Å; P321-V325 PolarHBondContact O-N 3.39Å; L322-V325 PolarHBondContact O-N 3.11Å; V325-F328 PolarHBondContact O-N 2.99Å; V325-S329 PolarHBondContact O-N 3.49Å; V325-S329 PolarHBondContact O-OG 3.34Å
326L94.3Very high83.8Confident84 Ų84110.8 Ų110.844%0.4461%0.614SS.*Hα-helixtrans-63.1-43.5178.5-68.6172.9000111.9L322 L323 R324 F328 S329 L330L322-L326 HydrophobicContact CD1-CD1 4.42Å; L322-L326 HydrophobicContact CD1-CG 4.42Å; L322-L326 HydrophobicContact CG-CD1 4.17Å; L322-L326 WeakPolarHBondContact O-CG 3.49Å; L322-L326 PolarHBondContact O-N 3.38Å; L323-L326 PolarHBondContact O-N 2.96Å; R324-L326 VanDerWaalsContact C-N 3.34Å; R324-L326 PolarHBondContact O-N 3.3Å; L326-F328 PolarHBondContact O-N 3.5Å; L326-S329 WeakPolarHBondContact CA-OG 3.43Å; L326-S329 PolarHBondContact O-N 3.36Å; L326-S329 PolarHBondContact O-OG 3.07Å; L326-L330 WeakPolarHBondContact O-CB 3.32Å; L326-L330 VanDerWaalsContact O-CG 3.32Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 2.76Å; L326-L330 VanDerWaalsContact O-N 3.07Å
327L92.4Very high83.5Confident123 Ų123112.7 Ų112.764%0.64462%0.62SS**Hα-helixtrans-62.8-41.5176.6-73169.4000112.4L323 R324 S329 L330 C331L323-L327 WeakPolarHBondContact O-CB 3.45Å; L323-L327 VanDerWaalsContact O-CG 3.26Å; L323-L327 WeakPolarHBondContact O-CG 3.45Å; L323-L327 PolarHBondContact O-N 2.96Å; R324-L327 PolarHBondContact O-N 3.45Å; L327-S329 VanDerWaalsContact C-N 3.35Å; L327-L330 PolarHBondContact O-N 3.44Å; L327-C331 PolarHBondContact O-N 3.26Å; L327-C331 VanDerWaalsContact O-N 3.12Å
328F91.2Very high83Confident168 Ų168112.1 Ų112.174%0.73763%0.628SS**Hα-helixtrans-64.7-37.3175-84.1-69.5000112.5R324 V325 L326 L330R324-F328 WeakPolarHBondContact O-CD2 3.26Å; R324-F328 PolarHBondContact O-N 3.38Å; V325-F328 PolarHBondContact O-N 2.99Å; L326-F328 PolarHBondContact O-N 3.5Å; F328-L330 VanDerWaalsContact C-N 3.33Å; F328-L330 PolarHBondContact O-N 3.12Å
329S88.6Confident82.5Confident85 Ų85114.7 Ų114.759%0.59464%0.643SS**Hα-helixtrans-72.5-23.6177.966.80000114.3V325 L326 L327V325-S329 PolarHBondContact O-N 3.49Å; V325-S329 PolarHBondContact O-OG 3.34Å; L326-S329 WeakPolarHBondContact CA-OG 3.43Å; L326-S329 PolarHBondContact O-N 3.36Å; L326-S329 PolarHBondContact O-OG 3.07Å; L327-S329 VanDerWaalsContact C-N 3.35Å
330L84.1Confident81.8Confident137 Ų137117.7 Ų117.772%0.71766%0.658SS**Hα-helixtrans-94.8-15.9-178.7-71.4172.3000113.5L326 L327 F328 P332L326-L330 WeakPolarHBondContact O-CB 3.32Å; L326-L330 VanDerWaalsContact O-CG 3.32Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 2.76Å; L326-L330 VanDerWaalsContact O-N 3.07Å; L327-L330 PolarHBondContact O-N 3.44Å; F328-L330 VanDerWaalsContact C-N 3.33Å; F328-L330 PolarHBondContact O-N 3.12Å; L330-P332 WeakPolarHBondContact O-CD 3.18Å
331C76.3Confident81Confident85 Ų85118.4 Ų118.457%0.57467%0.67SS**SBendtrans-74.6107.7173.1-142.50000107.3L327 A333L327-C331 PolarHBondContact O-N 3.26Å; L327-C331 VanDerWaalsContact O-N 3.12Å; C331-A333 PolarHBondContact O-N 3.33Å
332P68.3Low80.1Confident97 Ų97121.2 Ų121.263%0.6368%0.682SS**  trans-57141.5173.2-4.117.8000106.8L330 I334L330-P332 WeakPolarHBondContact O-CD 3.18Å; P332-I334 VanDerWaalsContact C-N 3.29Å; P332-I334 PolarHBondContact O-N 2.72Å
333A66Low79.1Confident100 Ų100122.4 Ų122.483%0.82669%0.691SS**  trans-53.598.3170.400000108.7C331 D335C331-A333 PolarHBondContact O-N 3.33Å; A333-D335 VanDerWaalsContact C-N 3.28Å; A333-D335 PolarHBondContact O-N 3.42Å
334I58.9Low78Confident144 Ų144125.5 Ų125.574%0.73871%0.711SS**  trans-89.982.5167.3-61.1170.9000103.9P332P332-I334 VanDerWaalsContact C-N 3.29Å; P332-I334 PolarHBondContact O-N 2.72Å
335D60Low76.7Confident148 Ų148121.1 Ų121.179%0.79172%0.715SS**  trans-166.3125.2163.1-81-33.5000102.7A333A333-D335 VanDerWaalsContact C-N 3.28Å; A333-D335 PolarHBondContact O-N 3.42Å
336S45.5Very low75.1Confident187 Ų187123.5 Ų123.5100%1.30873%0.727SS**  cis179.90348.60000105.1

Retrieved 336 of 336 residues in 160.1 ms (Link to these results)

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