A0A096NS69_PAPAN Loading...

THAP domain containing 7

AlphaFold DB , UniProt , Accession A0A096NS69, Species PAPAN (Papio anubis, Olive baboon), Gene THAP7, Length 309 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
1M55.3Low79.8Confident227 Ų22768.5 Ų68.5100%1.11839%0.393SS*.  0138.20-78.8133.784.400110.1R3M1-R3 PolarHBondContact O-N 3.29Å
2P69Low80.4Confident80 Ų8064.1 Ų64.152%0.51937%0.368SS..  trans-64.8128.5175.9-17.930.9000111.1H4 R13P2-H4 PolarHBondContact O-CE1 3.41Å; P2-H4 PolarHBondContact O-ND1 3.4Å; P2-R13 HydrophobicContact CB-CG 4.13Å
3R84.1Confident81Confident106 Ų10668.9 Ų68.940%0.438%0.377SS..  trans-83.7144.3175.3-55.8175.6-178.5-166.60.4109.3M1 D14 F25 Y62M1-R3 PolarHBondContact O-N 3.29Å; R3-D14 HydrophobicContact CB-CB 3.79Å; R3-D14 HydrophobicContact CG-CB 4.48Å; R3-D14 WeakPolarHBondContact O-CB 3.35Å; R3-D14 PolarHBondContact O-N 3.34Å; R3-F25 HydrophobicContact CB-CD1 4.47Å; R3-Y62 HydrophobicContact CB-CD2 4.14Å; R3-Y62 HydrophobicContact CB-CE2 4.5Å; R3-Y62 HydrophobicContact CB-CG 4.34Å; R3-Y62 HydrophobicContact CG-CD2 4.24Å; R3-Y62 HydrophobicContact CG-CE2 4.1Å; R3-Y62 VanDerWaalsContact NH1-CE1 3.33Å
4H87.9Confident81.3Confident107 Ų10765.5 Ų65.550%0.49536%0.358SS..BIsolated β-bridgetrans-121.3141.3178-59.383.1000109.2P2 R13P2-H4 PolarHBondContact O-CE1 3.41Å; P2-H4 PolarHBondContact O-ND1 3.4Å; H4-R13 WeakPolarHBondContact NE2-CD 3.46Å
5C88.2Confident81.7Confident10 Ų1063.1 Ų63.17%0.06835%0.346CS..BIsolated β-bridgetrans-68.6135.4173.8-171.80000109.9C10 T12 F25 Y62 C64 H67C5-C10 HydrophobicContact CB-CB 4.19Å; C5-T12 PolarHBondContact N-O 2.68Å; C5-F25 HydrophobicContact CB-CE1 4.35Å; C5-Y62 WeakPolarHBondContact CA-O 3.13Å; C5-C64 HydrophobicContact CB-CB 4.32Å; C5-C64 PolarHBondContact SG-N 2.99Å; C5-H67 PolarHBondContact SG-NE2 3.43Å
6S86.1Confident81.8Confident24 Ų2469.4 Ų69.417%0.16836%0.363CS..  trans-96.3-7.8-177.9-56.80000114R45 Y62S6-R45 PolarHBondContact O-NE 2.92Å; S6-R45 PolarHBondContact O-NH2 3.02Å; S6-Y62 PolarHBondContact N-O 3.45Å; S6-Y62 PolarHBondContact OG-O 2.85Å
7A84.3Confident81.9Confident4 Ų471.4 Ų71.43%0.03337%0.37CS..SBendtrans-56.3145.8176.800000112.1G9 C10 F63 H67A7-G9 PolarHBondContact O-N 3.08Å; A7-C10 HydrophobicContact CB-CB 3.98Å; A7-C10 PolarHBondContact O-N 3.09Å; A7-F63 HydrophobicContact CB-CD1 4.13Å; A7-F63 HydrophobicContact CB-CE1 4.34Å; A7-H67 VanDerWaalsContact CB-NE2 3.27Å; A7-H67 WeakPolarHBondContact CB-NE2 3.07Å
8A80.5Confident82.2Confident33 Ų3368.6 Ų68.627%0.27336%0.356SS..THydrogen-bonded Turntrans-58.7128.4178.300000111.1C10 C43 Q44A8-C10 PolarHBondContact O-N 3.15Å; A8-C43 VanDerWaalsContact CB-O 3.27Å; A8-C43 WeakPolarHBondContact CB-O 3.44Å; A8-C43 PolarHBondContact N-O 3.13Å; A8-C43 VanDerWaalsContact N-O 3.13Å; A8-Q44 HydrophobicContact CB-CB 4.33Å; A8-Q44 WeakPolarHBondContact CB-O 3.48Å
9G75.4Confident82.3Confident42 Ų4272.8 Ų72.843%0.43337%0.367SS..THydrogen-bonded Turntrans76.3-8.2179.100000116.1A7 F96A7-G9 PolarHBondContact O-N 3.08Å; G9-F96 WeakPolarHBondContact O-CB 3.15Å
10C84Confident82.3Confident18 Ų1875.8 Ų75.812%0.12238%0.384CS..  trans-81.2129.1179.8-167.90000111.7C5 A7 A8 T12 C64 H67C5-C10 HydrophobicContact CB-CB 4.19Å; A7-C10 HydrophobicContact CB-CB 3.98Å; A7-C10 PolarHBondContact O-N 3.09Å; A8-C10 PolarHBondContact O-N 3.15Å; C10-T12 PolarHBondContact SG-OG1 3.44Å; C10-C64 VanDerWaalsContact SG-SG 3.66Å; C10-H67 PolarHBondContact SG-NE2 2.97Å; C10-H67 VanDerWaalsContact SG-NE2 3.38Å
11C82.9Confident82.4Confident102 Ų10281.3 Ų81.369%0.68940%0.4SS*.  trans-108.511.1177640000113.4R13C11-R13 PolarHBondContact O-N 3.01Å
12T86.4Confident83.8Confident16 Ų1673.1 Ų73.110%0.09837%0.374CS..  trans-66.5127.8-177.2-49.40000110.5C5 C10 T18 I23 F25 C64C5-T12 PolarHBondContact N-O 2.68Å; C10-T12 PolarHBondContact SG-OG1 3.44Å; T12-T18 HydrophobicContact CG2-CG2 4.26Å; T12-I23 HydrophobicContact CG2-CD1 4.2Å; T12-I23 HydrophobicContact CG2-CG2 4.11Å; T12-F25 HydrophobicContact CG2-CZ 3.96Å; T12-C64 HydrophobicContact CG2-CB 4.24Å
13R88.5Confident84.6Confident127 Ų12770.1 Ų70.148%0.47935%0.353SS..BIsolated β-bridgetrans-119.8143.1179-174.3174.870.9-175.51.6109.7P2 H4 C11 T15 T18 F25P2-R13 HydrophobicContact CB-CG 4.13Å; H4-R13 WeakPolarHBondContact NE2-CD 3.46Å; C11-R13 PolarHBondContact O-N 3.01Å; R13-T15 HydrophobicContact CB-CG2 4.37Å; R13-T15 HydrophobicContact CG-CG2 4.2Å; R13-T15 PolarHBondContact O-N 3.46Å; R13-T18 VanDerWaalsContact O-CG2 3.27Å; R13-T18 WeakPolarHBondContact O-CG2 3.25Å; R13-T18 PolarHBondContact O-OG1 2.95Å; R13-F25 VanDerWaalsContact C-CZ 3.46Å
14D85.9Confident84.8Confident21 Ų2166.6 Ų66.611%0.11235%0.345CS..  trans-70.193.7177.2-175.317.5000110.2R3 R19 F25R3-D14 HydrophobicContact CB-CB 3.79Å; R3-D14 HydrophobicContact CG-CB 4.48Å; R3-D14 WeakPolarHBondContact O-CB 3.35Å; R3-D14 PolarHBondContact O-N 3.34Å; D14-R19 IonicContact OD1-CZ 3.72Å; D14-R19 VanDerWaalsContact OD1-CZ 3.24Å; D14-R19 IonicContact OD1-NE 3.1Å; D14-R19 PolarHBondContact OD1-NE 3.34Å; D14-R19 IonicContact OD1-NH2 3.93Å; D14-R19 PolarHBondContact OD1-NH2 2.97Å; D14-R19 IonicContact OD2-CZ 3.77Å; D14-R19 IonicContact OD2-NE 3.76Å; D14-R19 IonicContact OD2-NH2 2.9Å; D14-R19 PolarHBondContact OD2-NH2 3.45Å; D14-F25 VanDerWaalsContact CA-CE2 3.41Å; D14-F25 HydrophobicContact CB-CD2 3.79Å; D14-F25 HydrophobicContact CB-CE1 4.43Å; D14-F25 HydrophobicContact CB-CE2 3.54Å; D14-F25 HydrophobicContact CB-CG 4.35Å; D14-F25 HydrophobicContact CB-CZ 3.88Å; D14-F25 VanDerWaalsContact N-CZ 3.28Å
15T87.3Confident84.8Confident30 Ų3062.8 Ų62.818%0.18433%0.327CS..  trans-124.4167.1173.775.60000110.6R13 E17 T18 R19R13-T15 HydrophobicContact CB-CG2 4.37Å; R13-T15 HydrophobicContact CG-CG2 4.2Å; R13-T15 PolarHBondContact O-N 3.46Å; T15-E17 WeakPolarHBondContact CB-OE2 3.48Å; T15-E17 PolarHBondContact O-N 3.05Å; T15-E17 PolarHBondContact OG1-OE2 3.42Å; T15-T18 PolarHBondContact N-OG1 3.22Å; T15-T18 PolarHBondContact O-N 3.39Å; T15-T18 PolarHBondContact O-OG1 3.01Å; T15-R19 WeakPolarHBondContact O-CG 3.4Å; T15-R19 PolarHBondContact O-N 3.04Å; T15-R19 VanDerWaalsContact O-N 3.15Å
16R82.3Confident84.8Confident164 Ų16463.5 Ų63.562%0.61933%0.33SS*.Hα-helixtrans-59-37.5177.8-174.7170.864174.84.1111.1T18 R19 N20R16-T18 PolarHBondContact O-N 3.41Å; R16-R19 PolarHBondContact O-N 3.29Å; R16-N20 VanDerWaalsContact O-CG 3.23Å; R16-N20 PolarHBondContact O-N 3.34Å; R16-N20 PolarHBondContact O-OD1 3.15Å
17E84.4Confident84.9Confident103 Ų10367.1 Ų67.148%0.48134%0.34SS..Hα-helixtrans-65.1-39.5179.6-57.170.7-147.800111.8T15 N20 R21T15-E17 WeakPolarHBondContact CB-OE2 3.48Å; T15-E17 PolarHBondContact O-N 3.05Å; T15-E17 PolarHBondContact OG1-OE2 3.42Å; E17-N20 PolarHBondContact O-N 2.88Å; E17-R21 WeakPolarHBondContact O-CG 3.35Å; E17-R21 PolarHBondContact O-N 3.48Å
18T86.3Confident85Confident20 Ų2067.4 Ų67.412%0.12334%0.341CS..Hα-helixtrans-71.6-33.7177.455.80000112.2T12 R13 T15 R16 R21 I23T12-T18 HydrophobicContact CG2-CG2 4.26Å; R13-T18 VanDerWaalsContact O-CG2 3.27Å; R13-T18 WeakPolarHBondContact O-CG2 3.25Å; R13-T18 PolarHBondContact O-OG1 2.95Å; T15-T18 PolarHBondContact N-OG1 3.22Å; T15-T18 PolarHBondContact O-N 3.39Å; T15-T18 PolarHBondContact O-OG1 3.01Å; R16-T18 PolarHBondContact O-N 3.41Å; T18-R21 PolarHBondContact O-N 3.07Å; T18-I23 HydrophobicContact CG2-CD1 4.33Å; T18-I23 WeakPolarHBondContact O-CB 3.33Å; T18-I23 PolarHBondContact O-N 3.01Å
19R84.2Confident85.3Confident150 Ų15067 Ų6757%0.56634%0.335SS*.Hα-helixtrans-67.3-40.2174.2-66.3176.3-167.6170.8-0.9111.8D14 T15 R16 R21 G22D14-R19 IonicContact OD1-CZ 3.72Å; D14-R19 VanDerWaalsContact OD1-CZ 3.24Å; D14-R19 IonicContact OD1-NE 3.1Å; D14-R19 PolarHBondContact OD1-NE 3.34Å; D14-R19 IonicContact OD1-NH2 3.93Å; D14-R19 PolarHBondContact OD1-NH2 2.97Å; D14-R19 IonicContact OD2-CZ 3.77Å; D14-R19 IonicContact OD2-NE 3.76Å; D14-R19 IonicContact OD2-NH2 2.9Å; D14-R19 PolarHBondContact OD2-NH2 3.45Å; T15-R19 WeakPolarHBondContact O-CG 3.4Å; T15-R19 PolarHBondContact O-N 3.04Å; T15-R19 VanDerWaalsContact O-N 3.15Å; R16-R19 PolarHBondContact O-N 3.29Å; R19-R21 PolarHBondContact O-N 2.96Å; R19-G22 PolarHBondContact O-N 3.3Å
20N83.3Confident85.7Confident131 Ų13171.9 Ų71.970%0.70135%0.345SS*.Hα-helixtrans-63-21.9174-68.82.8000112.6R16 E17 G22R16-N20 VanDerWaalsContact O-CG 3.23Å; R16-N20 PolarHBondContact O-N 3.34Å; R16-N20 PolarHBondContact O-OD1 3.15Å; E17-N20 PolarHBondContact O-N 2.88Å; N20-G22 VanDerWaalsContact C-N 3.29Å
21R83.8Confident85.3Confident192 Ų19278.8 Ų78.873%0.72537%0.373SS*.THydrogen-bonded Turntrans-88.59.9172.7-65.3175.3-174.9-156.20.7113.2E17 T18 R19 I23E17-R21 WeakPolarHBondContact O-CG 3.35Å; E17-R21 PolarHBondContact O-N 3.48Å; T18-R21 PolarHBondContact O-N 3.07Å; R19-R21 PolarHBondContact O-N 2.96Å; R21-I23 VanDerWaalsContact C-N 3.3Å; R21-I23 HydrophobicContact CB-CD1 4.37Å; R21-I23 HydrophobicContact CB-CG1 4.41Å; R21-I23 PolarHBondContact O-N 3.18Å
22G84Confident85.1Confident55 Ų5581.1 Ų81.157%0.56738%0.378SS*.THydrogen-bonded Turntrans74.213.3-179.300000114.9R19 N20 S24R19-G22 PolarHBondContact O-N 3.3Å; N20-G22 VanDerWaalsContact C-N 3.29Å; G22-S24 PolarHBondContact O-N 2.9Å
23I87Confident84.9Confident17 Ų1783.3 Ų83.39%0.08739%0.389CS..  trans-82.9114.3-179.9-56.5166.9000109.9T12 T18 R21 F25 C64 S65T12-I23 HydrophobicContact CG2-CD1 4.2Å; T12-I23 HydrophobicContact CG2-CG2 4.11Å; T18-I23 HydrophobicContact CG2-CD1 4.33Å; T18-I23 WeakPolarHBondContact O-CB 3.33Å; T18-I23 PolarHBondContact O-N 3.01Å; R21-I23 VanDerWaalsContact C-N 3.3Å; R21-I23 HydrophobicContact CB-CD1 4.37Å; R21-I23 HydrophobicContact CB-CG1 4.41Å; R21-I23 PolarHBondContact O-N 3.18Å; I23-F25 HydrophobicContact CG2-CE2 4.28Å; I23-C64 HydrophobicContact CG2-CB 3.77Å; I23-S65 WeakPolarHBondContact CA-OG 2.92Å
24S87.5Confident84.5Confident33 Ų3383 Ų8323%0.23140%0.403CS..  trans-96.2158.1172.453.70000111.7G22 H26 C64 S65G22-S24 PolarHBondContact O-N 2.9Å; S24-H26 PolarHBondContact OG-NE2 3.34Å; S24-C64 CarbonylContact O-C 3.59Å; S24-C64 VanDerWaalsContact O-CA 3.28Å; S24-C64 WeakPolarHBondContact O-CA 3.47Å; S24-S65 PolarHBondContact N-OG 3.05Å; S24-S65 PolarHBondContact O-N 3.32Å; S24-S65 WeakPolarHBondContact OG-CB 3.28Å
25F88.1Confident84.3Confident27 Ų2783.9 Ų83.912%0.11841%0.405CS..EExtended strand (participates in β ladder)trans-119.5125.1177.6-74.9-96.7000110.2R3 C5 T12 R13 D14 I23 F63 C64R3-F25 HydrophobicContact CB-CD1 4.47Å; C5-F25 HydrophobicContact CB-CE1 4.35Å; T12-F25 HydrophobicContact CG2-CZ 3.96Å; R13-F25 VanDerWaalsContact C-CZ 3.46Å; D14-F25 VanDerWaalsContact CA-CE2 3.41Å; D14-F25 HydrophobicContact CB-CD2 3.79Å; D14-F25 HydrophobicContact CB-CE1 4.43Å; D14-F25 HydrophobicContact CB-CE2 3.54Å; D14-F25 HydrophobicContact CB-CG 4.35Å; D14-F25 HydrophobicContact CB-CZ 3.88Å; D14-F25 VanDerWaalsContact N-CZ 3.28Å; I23-F25 HydrophobicContact CG2-CE2 4.28Å; F25-F63 WeakPolarHBondContact CA-O 3.44Å; F25-C64 HydrophobicContact CD1-CB 4.32Å; F25-C64 HydrophobicContact CE1-CB 4.05Å; F25-C64 HydrophobicContact CZ-CB 4.31Å
26H88.3Confident84.2Confident25 Ų2583.9 Ų83.912%0.11640%0.402CS..EExtended strand (participates in β ladder)trans-112.3131.7-177.1-57.6-83.4000109.8S24 W39 Y62 F63 F73 H82 L84S24-H26 PolarHBondContact OG-NE2 3.34Å; H26-W39 HydrophobicContact CB-CH2 4.03Å; H26-W39 HydrophobicContact CB-CZ3 4.45Å; H26-Y62 CarbonylContact O-C 3.49Å; H26-Y62 VanDerWaalsContact O-CA 3.31Å; H26-Y62 WeakPolarHBondContact O-CA 3.3Å; H26-F63 PolarHBondContact N-O 2.94Å; H26-F63 PolarHBondContact O-N 3.21Å; H26-F73 AromaticContact CE1-CE1 3.95Å; H26-F73 AromaticContact NE2-CE1 3.49Å; H26-F73 WeakPolarHBondContact NE2-CE1 3.43Å; H26-H82 PolarHBondContact CE1-O 3.46Å; H26-L84 HydrophobicContact CB-CD1 3.52Å
27R89Confident84.1Confident100 Ų10077.8 Ų77.838%0.37739%0.39SS..EExtended strand (participates in β ladder)trans-75.3140.7178-167-178.5-177-157.22109E59 I61 Y62R27-E59 VanDerWaalsContact CZ-O 3.25Å; R27-E59 PolarHBondContact NE-O 3.21Å; R27-E59 PolarHBondContact NH2-O 2.93Å; R27-E59 IonicContact NH2-OE2 3.02Å; R27-E59 PolarHBondContact NH2-OE2 3.35Å; R27-E59 VanDerWaalsContact NH2-OE2 3.1Å; R27-I61 WeakPolarHBondContact CA-O 3.26Å; R27-Y62 HydrophobicContact CB-CD1 4.1Å; R27-Y62 HydrophobicContact CB-CE1 3.9Å; R27-Y62 HydrophobicContact CG-CD1 4.48Å; R27-Y62 HydrophobicContact CG-CE1 4.09Å
28L86.9Confident84.1Confident10 Ų1077 Ų775%0.05239%0.389CS..PPolyproline II helixtrans-57.2137.6172.1-175.867.2000110R36 W39 L40 P56 I61 F63L28-R36 HydrophobicContact CD1-CG 4.15Å; L28-R36 HydrophobicContact CD2-CG 4.14Å; L28-R36 HydrophobicContact CG-CG 4.1Å; L28-W39 HydrophobicContact CD1-CB 3.61Å; L28-W39 HydrophobicContact CD1-CD2 4.18Å; L28-W39 HydrophobicContact CD1-CE3 3.73Å; L28-W39 HydrophobicContact CD1-CG 4.2Å; L28-L40 HydrophobicContact CD1-CD2 4.39Å; L28-L40 HydrophobicContact CD1-CG 4.44Å; L28-L40 HydrophobicContact CD2-CD2 3.8Å; L28-L40 HydrophobicContact CD2-CG 4.28Å; L28-P56 HydrophobicContact CD2-CG 4.47Å; L28-I61 HydrophobicContact CB-CB 4.03Å; L28-I61 HydrophobicContact CB-CG2 4.33Å; L28-I61 HydrophobicContact CD2-CB 4.28Å; L28-I61 HydrophobicContact CD2-CD1 3.52Å; L28-I61 HydrophobicContact CD2-CG2 4.38Å; L28-I61 PolarHBondContact N-O 2.95Å; L28-F63 HydrophobicContact CB-CE2 4.11Å; L28-F63 HydrophobicContact CD1-CE2 3.83Å; L28-F63 HydrophobicContact CG-CE2 4.41Å
29P85.4Confident84.1Confident25 Ų2576.2 Ų76.216%0.16238%0.384CS..PPolyproline II helixtrans-56.8153.9173.7-26.336.3000112.9N33 R36P29-N33 HydrophobicContact CB-CB 3.73Å; P29-R36 HydrophobicContact CB-CB 4.39Å; P29-R36 PolarHBondContact O-NH1 2.95Å
30K83.8Confident84Confident144 Ų14469.4 Ų69.463%0.62636%0.358SS*.PPolyproline II helixtrans-61.1160.9174.4-67.3-174.1177.4-175.50110.7D32 N33K30-D32 PolarHBondContact O-N 3.34Å; K30-N33 WeakPolarHBondContact O-CB 3.49Å; K30-N33 PolarHBondContact O-N 3.16Å
31K75.5Confident83.8Confident163 Ų16365.5 Ų65.571%0.70935%0.345SS*.THydrogen-bonded Turntrans-56.9-33.4-176.8-168.5175.2179.2179.50113.1N33K31-N33 PolarHBondContact O-N 2.85Å
32D78.5Confident83.6Confident150 Ų15058 Ų5880%0.80232%0.319SS*.THydrogen-bonded Turntrans-72.6-8.6-179.3-41.6-51.4000113.2K30K30-D32 PolarHBondContact O-N 3.34Å
33N82.3Confident83Confident62 Ų6255.7 Ų55.733%0.33229%0.294SS..  trans-92.4122.1-179.2-162.5-80.1000110.5P29 K30 K31 R35 R36P29-N33 HydrophobicContact CB-CB 3.73Å; K30-N33 WeakPolarHBondContact O-CB 3.49Å; K30-N33 PolarHBondContact O-N 3.16Å; K31-N33 PolarHBondContact O-N 2.85Å; N33-R35 PolarHBondContact O-N 2.86Å; N33-R35 WeakPolarHBondContact OD1-CB 3.49Å; N33-R35 PolarHBondContact OD1-N 3.39Å; N33-R35 VanDerWaalsContact OD1-N 3.11Å; N33-R36 VanDerWaalsContact O-CB 3.28Å; N33-R36 WeakPolarHBondContact O-CB 3.37Å; N33-R36 PolarHBondContact O-N 3.39Å
34P80.2Confident82.1Confident120 Ų12060.1 Ų60.178%0.77931%0.314SS*.THydrogen-bonded Turntrans-61.5-23.4-177.225.3-34.7000112.5R36P34-R36 PolarHBondContact O-N 3.43Å
35R82.4Confident81.3Confident40 Ų4063.1 Ų63.115%0.15132%0.32CS..Hα-helixtrans-68.4-21.4177.7-152.7-167.8-51.7165.99.9113.6N33 G37 L38 W39 K85 E86 A88 V89N33-R35 PolarHBondContact O-N 2.86Å; N33-R35 WeakPolarHBondContact OD1-CB 3.49Å; N33-R35 PolarHBondContact OD1-N 3.39Å; N33-R35 VanDerWaalsContact OD1-N 3.11Å; R35-G37 VanDerWaalsContact C-N 3.31Å; R35-G37 PolarHBondContact O-N 3.02Å; R35-L38 PolarHBondContact O-N 3.49Å; R35-W39 VanDerWaalsContact O-CD1 3.31Å; R35-W39 PolarHBondContact O-N 3.03Å; R35-K85 PolarHBondContact NH1-O 3.15Å; R35-K85 PolarHBondContact NH2-O 3.04Å; R35-E86 PolarHBondContact NE-O 3.34Å; R35-E86 VanDerWaalsContact NH2-CA 3.27Å; R35-E86 PolarHBondContact NH2-O 3.17Å; R35-A88 WeakPolarHBondContact CD-O 3.4Å; R35-V89 HydrophobicContact CG-CG1 3.7Å
36R84.6Confident80Confident30 Ų3067.3 Ų67.311%0.11334%0.343CS..Hα-helixtrans-57.9-44.9178.9-178.4-173.817094.6-1111.1L28 P29 N33 P34 L38 W39 L40 D55 P56L28-R36 HydrophobicContact CD1-CG 4.15Å; L28-R36 HydrophobicContact CD2-CG 4.14Å; L28-R36 HydrophobicContact CG-CG 4.1Å; P29-R36 HydrophobicContact CB-CB 4.39Å; P29-R36 PolarHBondContact O-NH1 2.95Å; N33-R36 VanDerWaalsContact O-CB 3.28Å; N33-R36 WeakPolarHBondContact O-CB 3.37Å; N33-R36 PolarHBondContact O-N 3.39Å; P34-R36 PolarHBondContact O-N 3.43Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 2.91Å; R36-W39 PolarHBondContact O-N 3.43Å; R36-L40 HydrophobicContact CG-CD1 4.02Å; R36-L40 HydrophobicContact CG-CG 4.46Å; R36-L40 WeakPolarHBondContact O-CG 3.48Å; R36-L40 PolarHBondContact O-N 2.95Å; R36-D55 IonicContact CZ-OD1 2.95Å; R36-D55 IonicContact NE-OD1 3.99Å; R36-D55 IonicContact NH2-OD1 2.73Å; R36-D55 PolarHBondContact NH2-OD1 3.39Å; R36-P56 PolarHBondContact NH2-O 3.34Å; R36-P56 VanDerWaalsContact NH2-O 3.15Å
37G80.4Confident78.7Confident37 Ų3768 Ų6838%0.38135%0.348SS..Hα-helixtrans-60.2-43.3179.700000111.9R35 L40 A41R35-G37 VanDerWaalsContact C-N 3.31Å; R35-G37 PolarHBondContact O-N 3.02Å; G37-L40 PolarHBondContact O-N 2.91Å; G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 3.25Å
38L83.8Confident77.3Confident85 Ų8569.7 Ų69.745%0.44537%0.372SS..Hα-helixtrans-67.9-37.1179.5-169.753.4000112.3R35 R36 N42 V89R35-L38 PolarHBondContact O-N 3.49Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-L38 PolarHBondContact O-N 2.91Å; L38-N42 WeakPolarHBondContact O-CB 3.48Å; L38-N42 PolarHBondContact O-N 3.33Å; L38-V89 HydrophobicContact CB-CG1 4.08Å; L38-V89 HydrophobicContact CD2-CB 4.06Å; L38-V89 HydrophobicContact CD2-CG1 3.36Å; L38-V89 HydrophobicContact CD2-CG2 4.04Å; L38-V89 HydrophobicContact CG-CB 4.04Å; L38-V89 HydrophobicContact CG-CG1 3.62Å; L38-V89 HydrophobicContact CG-CG2 4.32Å
39W86.3Confident75.9Confident4 Ų473.8 Ų73.82%0.01540%0.401CS..Hα-helixtrans-62.5-46.4171.6-80.439.4000111.9H26 L28 R35 R36 N42 C43 F63 F68 L84 A88 P90H26-W39 HydrophobicContact CB-CH2 4.03Å; H26-W39 HydrophobicContact CB-CZ3 4.45Å; L28-W39 HydrophobicContact CD1-CB 3.61Å; L28-W39 HydrophobicContact CD1-CD2 4.18Å; L28-W39 HydrophobicContact CD1-CE3 3.73Å; L28-W39 HydrophobicContact CD1-CG 4.2Å; R35-W39 VanDerWaalsContact O-CD1 3.31Å; R35-W39 PolarHBondContact O-N 3.03Å; R36-W39 PolarHBondContact O-N 3.43Å; W39-N42 PolarHBondContact O-N 2.7Å; W39-C43 WeakPolarHBondContact O-CB 3.44Å; W39-C43 PolarHBondContact O-N 3.49Å; W39-C43 PolarHBondContact O-SG 3.3Å; W39-F63 AromaticContact CE3-CD2 3.45Å; W39-F63 HydrophobicContact CE3-CD2 3.45Å; W39-F63 VanDerWaalsContact CE3-CD2 3.45Å; W39-F63 AromaticContact CE3-CE2 3.88Å; W39-F63 HydrophobicContact CE3-CE2 3.88Å; W39-F63 HydrophobicContact CE3-CG 4.24Å; W39-F63 HydrophobicContact CZ3-CB 4.34Å; W39-F63 AromaticContact CZ3-CD2 3.64Å; W39-F63 HydrophobicContact CZ3-CD2 3.64Å; W39-F63 HydrophobicContact CZ3-CE2 4.43Å; W39-F63 HydrophobicContact CZ3-CG 4.34Å; W39-F68 HydrophobicContact CD2-CE1 4.27Å; W39-F68 HydrophobicContact CD2-CZ 4.18Å; W39-F68 AromaticContact CE2-CE1 3.63Å; W39-F68 AromaticContact CE2-CZ 3.89Å; W39-F68 HydrophobicContact CE3-CZ 4.03Å; W39-F68 AromaticContact CH2-CE1 3.8Å; W39-F68 HydrophobicContact CH2-CE1 3.8Å; W39-F68 HydrophobicContact CH2-CE2 4.4Å; W39-F68 AromaticContact CH2-CZ 3.39Å; W39-F68 HydrophobicContact CH2-CZ 3.39Å; W39-F68 AromaticContact CZ2-CE1 3.37Å; W39-F68 HydrophobicContact CZ2-CE1 3.37Å; W39-F68 AromaticContact CZ2-CZ 3.51Å; W39-F68 HydrophobicContact CZ2-CZ 3.51Å; W39-F68 HydrophobicContact CZ3-CE1 4.36Å; W39-F68 AromaticContact CZ3-CZ 3.65Å; W39-F68 HydrophobicContact CZ3-CZ 3.65Å; W39-L84 HydrophobicContact CH2-CD1 3.42Å; W39-L84 VanDerWaalsContact CH2-CD1 3.42Å; W39-L84 HydrophobicContact CZ2-CD1 3.53Å; W39-A88 PolarHBondContact NE1-O 2.98Å; W39-P90 HydrophobicContact CB-CG 4.38Å; W39-P90 VanDerWaalsContact CD1-CD 3.41Å; W39-P90 HydrophobicContact CG-CG 4.2Å
40L83.8Confident74.5Confident7 Ų774.8 Ų74.84%0.03742%0.417CS..Hα-helixtrans-65.5-43.9-179.2-68.7174.3000112L28 R36 G37 N42 C43 L53 W54 P56L28-L40 HydrophobicContact CD1-CD2 4.39Å; L28-L40 HydrophobicContact CD1-CG 4.44Å; L28-L40 HydrophobicContact CD2-CD2 3.8Å; L28-L40 HydrophobicContact CD2-CG 4.28Å; R36-L40 HydrophobicContact CG-CD1 4.02Å; R36-L40 HydrophobicContact CG-CG 4.46Å; R36-L40 WeakPolarHBondContact O-CG 3.48Å; R36-L40 PolarHBondContact O-N 2.95Å; G37-L40 PolarHBondContact O-N 2.91Å; L40-N42 VanDerWaalsContact C-N 3.34Å; L40-N42 PolarHBondContact O-N 3.03Å; L40-C43 PolarHBondContact O-N 3.41Å; L40-L53 HydrophobicContact CB-CD1 4.33Å; L40-W54 HydrophobicContact CD2-CE3 3.75Å; L40-W54 HydrophobicContact CD2-CZ3 3.87Å; L40-P56 HydrophobicContact CD2-CG 3.97Å
41A78.8Confident73Confident50 Ų5076.1 Ų76.141%0.41343%0.425SS..Hα-helixtrans-59-45.9176.200000111.5G37 C43 Q44 L53G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 3.25Å; A41-C43 VanDerWaalsContact C-N 3.32Å; A41-C43 PolarHBondContact O-N 3.31Å; A41-Q44 PolarHBondContact O-N 3.29Å; A41-L53 HydrophobicContact CB-CD1 4.16Å
42N79Confident72.2Confident33 Ų3370.3 Ų70.318%0.17641%0.411CS..Hα-helixtrans-71.9-25-179-73.81.5000112.8L38 W39 L40 Q44 P90 F93L38-N42 WeakPolarHBondContact O-CB 3.48Å; L38-N42 PolarHBondContact O-N 3.33Å; W39-N42 PolarHBondContact O-N 2.7Å; L40-N42 VanDerWaalsContact C-N 3.34Å; L40-N42 PolarHBondContact O-N 3.03Å; N42-Q44 PolarHBondContact O-N 3.43Å; N42-P90 HydrophobicContact CB-CG 3.93Å; N42-P90 WeakPolarHBondContact CB-O 3.21Å; N42-P90 PolarHBondContact ND2-O 2.9Å; N42-F93 HydrophobicContact CB-CE1 3.73Å; N42-F93 HydrophobicContact CB-CZ 3.68Å; N42-F93 WeakPolarHBondContact O-CD1 3.04Å; N42-F93 WeakPolarHBondContact O-CE1 3.28Å
43C72.4Confident71.5Confident7 Ų768.4 Ų68.45%0.04740%0.401CS..THydrogen-bonded Turntrans-71.5-1-178.6-72.60000114.7A8 W39 L40 A41 R45 F63A8-C43 VanDerWaalsContact CB-O 3.27Å; A8-C43 WeakPolarHBondContact CB-O 3.44Å; A8-C43 PolarHBondContact N-O 3.13Å; A8-C43 VanDerWaalsContact N-O 3.13Å; W39-C43 WeakPolarHBondContact O-CB 3.44Å; W39-C43 PolarHBondContact O-N 3.49Å; W39-C43 PolarHBondContact O-SG 3.3Å; L40-C43 PolarHBondContact O-N 3.41Å; A41-C43 VanDerWaalsContact C-N 3.32Å; A41-C43 PolarHBondContact O-N 3.31Å; C43-R45 PolarHBondContact O-N 3.03Å; C43-F63 HydrophobicContact CB-CE1 3.83Å; C43-F63 HydrophobicContact CB-CZ 4.22Å; C43-F63 VanDerWaalsContact SG-CD1 3.5Å; C43-F63 WeakPolarHBondContact SG-CE1 3.46Å; C43-F63 WeakPolarHBondContact SG-CZ 3.48Å
44Q67.3Low71Confident110 Ų11067 Ų6751%0.51439%0.391SS..THydrogen-bonded Turntrans48.327.5174.1-65.617921.100113.1A8 A41 N42 F93A8-Q44 HydrophobicContact CB-CB 4.33Å; A8-Q44 WeakPolarHBondContact CB-O 3.48Å; A41-Q44 PolarHBondContact O-N 3.29Å; N42-Q44 PolarHBondContact O-N 3.43Å; Q44-F93 VanDerWaalsContact NE2-CD1 3.32Å
45R70.1Confident70.6Confident96 Ų9665.6 Ų65.636%0.36238%0.376SS..PPolyproline II helixtrans-91.9124.9175.8-176.3170.8-77.7-96.16.3106.7S6 C43 W54S6-R45 PolarHBondContact O-NE 2.92Å; S6-R45 PolarHBondContact O-NH2 3.02Å; C43-R45 PolarHBondContact O-N 3.03Å; R45-W54 HydrophobicContact CB-CB 4.24Å; R45-W54 HydrophobicContact CB-CD2 3.94Å; R45-W54 HydrophobicContact CB-CE3 3.76Å; R45-W54 HydrophobicContact CB-CG 4.16Å; R45-W54 HydrophobicContact CB-CZ3 4.41Å; R45-W54 VanDerWaalsContact CD-CZ2 3.46Å; R45-W54 HydrophobicContact CG-CB 4.2Å; R45-W54 HydrophobicContact CG-CD2 3.67Å; R45-W54 HydrophobicContact CG-CE3 3.97Å; R45-W54 HydrophobicContact CG-CG 3.77Å; R45-W54 WeakPolarHBondContact O-CB 3.39Å
46L62.1Low70.2Confident115 Ų11564.4 Ų64.460%0.60237%0.374SS*.BIsolated β-bridgetrans-88.2151.7169.1-61.3176.5000108.5
47D60.6Low69.5Low41 Ų4168.2 Ų68.222%0.21941%0.412CS..PPolyproline II helixtrans-56.1156.3170.1-80.3-49.6000111.5S49 G50 W54D47-S49 WeakPolarHBondContact CB-OG 3.32Å; D47-S49 PolarHBondContact O-N 2.83Å; D47-G50 PolarHBondContact O-N 2.97Å; D47-W54 WeakPolarHBondContact OD1-CA 3.48Å
48P58.3Low69.3Low135 Ų13569.5 Ų69.588%0.87742%0.415SS*.THydrogen-bonded Turntrans-53.5-22.2175.2-23.633.2000113.9
49S57.5Low69Low95 Ų9571.2 Ų71.266%0.66442%0.421SS*.THydrogen-bonded Turntrans-86.8-4.5176.9370000114.4D47 Q51D47-S49 WeakPolarHBondContact CB-OG 3.32Å; D47-S49 PolarHBondContact O-N 2.83Å; S49-Q51 PolarHBondContact O-N 3.03Å; S49-Q51 VanDerWaalsContact O-N 3.16Å
50G57.8Low68.8Low47 Ų4778.8 Ų78.849%0.48545%0.451SS..SBendtrans71.63.3175.200000115.6D47D47-G50 PolarHBondContact O-N 2.97Å
51Q50.5Low68.9Low171 Ų17178.8 Ų78.880%0.79945%0.451SS*.SBendtrans-131.1104.1178.3-67.3-166.2-25.100108.8S49S49-Q51 PolarHBondContact O-N 3.03Å; S49-Q51 VanDerWaalsContact O-N 3.16Å
52G59Low69.4Low41 Ų4177.9 Ų77.942%0.42344%0.436SS..SBendtrans135.4163.7170.800000116.3W54G52-W54 PolarHBondContact O-N 2.96Å
53L63.9Low69.9Low110 Ų11076.3 Ų76.358%0.57643%0.428SS*.BIsolated β-bridgetrans-71.9113.4168.5176.266.7000108.3L40 A41 D55L40-L53 HydrophobicContact CB-CD1 4.33Å; A41-L53 HydrophobicContact CB-CD1 4.16Å; L53-D55 PolarHBondContact O-N 2.89Å
54W71.4Confident70.7Confident34 Ų3476 Ų7613%0.12943%0.426CS..  trans-57.9109.4179.8176.160.9000111.9L40 R45 D47 G52 P56 I61 F63L40-W54 HydrophobicContact CD2-CE3 3.75Å; L40-W54 HydrophobicContact CD2-CZ3 3.87Å; R45-W54 HydrophobicContact CB-CB 4.24Å; R45-W54 HydrophobicContact CB-CD2 3.94Å; R45-W54 HydrophobicContact CB-CE3 3.76Å; R45-W54 HydrophobicContact CB-CG 4.16Å; R45-W54 HydrophobicContact CB-CZ3 4.41Å; R45-W54 VanDerWaalsContact CD-CZ2 3.46Å; R45-W54 HydrophobicContact CG-CB 4.2Å; R45-W54 HydrophobicContact CG-CD2 3.67Å; R45-W54 HydrophobicContact CG-CE3 3.97Å; R45-W54 HydrophobicContact CG-CG 3.77Å; R45-W54 WeakPolarHBondContact O-CB 3.39Å; D47-W54 WeakPolarHBondContact OD1-CA 3.48Å; G52-W54 PolarHBondContact O-N 2.96Å; W54-P56 HydrophobicContact CD2-CG 4.22Å; W54-P56 HydrophobicContact CE3-CG 4.29Å; W54-P56 HydrophobicContact CH2-CB 4.16Å; W54-P56 HydrophobicContact CH2-CG 3.84Å; W54-P56 HydrophobicContact CZ2-CB 3.6Å; W54-P56 HydrophobicContact CZ2-CG 3.75Å; W54-P56 HydrophobicContact CZ3-CG 4.12Å; W54-P56 VanDerWaalsContact O-CD 3.3Å; W54-P56 WeakPolarHBondContact O-CD 3.27Å; W54-I61 HydrophobicContact CH2-CG2 3.98Å; W54-F63 HydrophobicContact CZ3-CZ 4.26Å
55D72.8Confident71.7Confident89 Ų8971.6 Ų71.648%0.47641%0.408SS..  trans-110.495171.3-16920.4000111.1R36 L53 A57R36-D55 IonicContact CZ-OD1 2.95Å; R36-D55 IonicContact NE-OD1 3.99Å; R36-D55 IonicContact NH2-OD1 2.73Å; R36-D55 PolarHBondContact NH2-OD1 3.39Å; L53-D55 PolarHBondContact O-N 2.89Å; D55-A57 PolarHBondContact O-N 3.21Å
56P74.8Confident72.4Confident15 Ų1571.2 Ų71.210%0.09741%0.408CS..  trans-70.3123.6178.827.1-35.9000112.1L28 R36 L40 W54 S58 I61L28-P56 HydrophobicContact CD2-CG 4.47Å; R36-P56 PolarHBondContact NH2-O 3.34Å; R36-P56 VanDerWaalsContact NH2-O 3.15Å; L40-P56 HydrophobicContact CD2-CG 3.97Å; W54-P56 HydrophobicContact CD2-CG 4.22Å; W54-P56 HydrophobicContact CE3-CG 4.29Å; W54-P56 HydrophobicContact CH2-CB 4.16Å; W54-P56 HydrophobicContact CH2-CG 3.84Å; W54-P56 HydrophobicContact CZ2-CB 3.6Å; W54-P56 HydrophobicContact CZ2-CG 3.75Å; W54-P56 HydrophobicContact CZ3-CG 4.12Å; W54-P56 VanDerWaalsContact O-CD 3.3Å; W54-P56 WeakPolarHBondContact O-CD 3.27Å; P56-S58 PolarHBondContact O-N 3.31Å; P56-I61 HydrophobicContact CB-CD1 3.49Å; P56-I61 VanDerWaalsContact CB-CD1 3.49Å; P56-I61 HydrophobicContact CB-CG1 3.98Å; P56-I61 HydrophobicContact CG-CD1 3.06Å; P56-I61 HydrophobicContact CG-CG1 3.88Å
57A68.8Low73.6Confident110 Ų11066.1 Ų66.191%0.90938%0.382SS*.SBendtrans-64.7-19.5175.400000114.1D55D55-A57 PolarHBondContact O-N 3.21Å
58S77.2Confident74.9Confident64 Ų6464.4 Ų64.445%0.44837%0.372SS..  trans-81.1134.9178.7-175.40000111.1P56 Y60 I61P56-S58 PolarHBondContact O-N 3.31Å; S58-Y60 PolarHBondContact O-N 2.85Å; S58-Y60 PolarHBondContact OG-N 3.36Å; S58-I61 WeakPolarHBondContact O-CD1 3.44Å; S58-I61 WeakPolarHBondContact O-CG1 3.39Å
59E75.8Confident76.1Confident122 Ų12262 Ų6257%0.5735%0.349SS*.SBendtrans-79.2-4.7172.6-50.7-169.4155.200113.9R27 I61R27-E59 VanDerWaalsContact CZ-O 3.25Å; R27-E59 PolarHBondContact NE-O 3.21Å; R27-E59 PolarHBondContact NH2-O 2.93Å; R27-E59 IonicContact NH2-OE2 3.02Å; R27-E59 PolarHBondContact NH2-OE2 3.35Å; R27-E59 VanDerWaalsContact NH2-OE2 3.1Å; E59-I61 PolarHBondContact O-N 3.05Å
60Y83Confident77.2Confident163 Ų16365.9 Ų65.964%0.63936%0.357SS*.  trans-98.946.6-173.5-62.2-73.5000112.7S58 Y62S58-Y60 PolarHBondContact O-N 2.85Å; S58-Y60 PolarHBondContact OG-N 3.36Å; Y60-Y62 VanDerWaalsContact O-CD2 3.31Å; Y60-Y62 WeakPolarHBondContact O-CD2 3.35Å; Y60-Y62 WeakPolarHBondContact O-CE2 3.49Å
61I86.8Confident78.3Confident7 Ų769.5 Ų69.54%0.03637%0.365CS..  trans-95.2134.1178.6-55.2138.4000109.2R27 L28 W54 P56 S58 E59 F63R27-I61 WeakPolarHBondContact CA-O 3.26Å; L28-I61 HydrophobicContact CB-CB 4.03Å; L28-I61 HydrophobicContact CB-CG2 4.33Å; L28-I61 HydrophobicContact CD2-CB 4.28Å; L28-I61 HydrophobicContact CD2-CD1 3.52Å; L28-I61 HydrophobicContact CD2-CG2 4.38Å; L28-I61 PolarHBondContact N-O 2.95Å; W54-I61 HydrophobicContact CH2-CG2 3.98Å; P56-I61 HydrophobicContact CB-CD1 3.49Å; P56-I61 VanDerWaalsContact CB-CD1 3.49Å; P56-I61 HydrophobicContact CB-CG1 3.98Å; P56-I61 HydrophobicContact CG-CD1 3.06Å; P56-I61 HydrophobicContact CG-CG1 3.88Å; S58-I61 WeakPolarHBondContact O-CD1 3.44Å; S58-I61 WeakPolarHBondContact O-CG1 3.39Å; E59-I61 PolarHBondContact O-N 3.05Å; I61-F63 HydrophobicContact CG2-CE2 3.66Å; I61-F63 HydrophobicContact CG2-CZ 3.78Å
62Y88.5Confident79.8Confident30 Ų3062.3 Ų62.312%0.11833%0.334CS..EExtended strand (participates in β ladder)trans-128.3146.7-178.2-60.4-86.5000111.8R3 C5 S6 H26 R27 Y60R3-Y62 HydrophobicContact CB-CD2 4.14Å; R3-Y62 HydrophobicContact CB-CE2 4.5Å; R3-Y62 HydrophobicContact CB-CG 4.34Å; R3-Y62 HydrophobicContact CG-CD2 4.24Å; R3-Y62 HydrophobicContact CG-CE2 4.1Å; R3-Y62 VanDerWaalsContact NH1-CE1 3.33Å; C5-Y62 WeakPolarHBondContact CA-O 3.13Å; S6-Y62 PolarHBondContact N-O 3.45Å; S6-Y62 PolarHBondContact OG-O 2.85Å; H26-Y62 CarbonylContact O-C 3.49Å; H26-Y62 VanDerWaalsContact O-CA 3.31Å; H26-Y62 WeakPolarHBondContact O-CA 3.3Å; R27-Y62 HydrophobicContact CB-CD1 4.1Å; R27-Y62 HydrophobicContact CB-CE1 3.9Å; R27-Y62 HydrophobicContact CG-CD1 4.48Å; R27-Y62 HydrophobicContact CG-CE1 4.09Å; Y60-Y62 VanDerWaalsContact O-CD2 3.31Å; Y60-Y62 WeakPolarHBondContact O-CD2 3.35Å; Y60-Y62 WeakPolarHBondContact O-CE2 3.49Å
63F89.2Confident81Confident0 Ų061.8 Ų61.80%032%0.32CS..EExtended strand (participates in β ladder)trans-123136.9172.8-62.4-79000109.4A7 F25 H26 L28 W39 C43 W54 I61 F68A7-F63 HydrophobicContact CB-CD1 4.13Å; A7-F63 HydrophobicContact CB-CE1 4.34Å; F25-F63 WeakPolarHBondContact CA-O 3.44Å; H26-F63 PolarHBondContact N-O 2.94Å; H26-F63 PolarHBondContact O-N 3.21Å; L28-F63 HydrophobicContact CB-CE2 4.11Å; L28-F63 HydrophobicContact CD1-CE2 3.83Å; L28-F63 HydrophobicContact CG-CE2 4.41Å; W39-F63 AromaticContact CE3-CD2 3.45Å; W39-F63 HydrophobicContact CE3-CD2 3.45Å; W39-F63 VanDerWaalsContact CE3-CD2 3.45Å; W39-F63 AromaticContact CE3-CE2 3.88Å; W39-F63 HydrophobicContact CE3-CE2 3.88Å; W39-F63 HydrophobicContact CE3-CG 4.24Å; W39-F63 HydrophobicContact CZ3-CB 4.34Å; W39-F63 AromaticContact CZ3-CD2 3.64Å; W39-F63 HydrophobicContact CZ3-CD2 3.64Å; W39-F63 HydrophobicContact CZ3-CE2 4.43Å; W39-F63 HydrophobicContact CZ3-CG 4.34Å; C43-F63 HydrophobicContact CB-CE1 3.83Å; C43-F63 HydrophobicContact CB-CZ 4.22Å; C43-F63 VanDerWaalsContact SG-CD1 3.5Å; C43-F63 WeakPolarHBondContact SG-CE1 3.46Å; C43-F63 WeakPolarHBondContact SG-CZ 3.48Å; W54-F63 HydrophobicContact CZ3-CZ 4.26Å; I61-F63 HydrophobicContact CG2-CE2 3.66Å; I61-F63 HydrophobicContact CG2-CZ 3.78Å; F63-F68 HydrophobicContact CB-CE2 3.87Å; F63-F68 HydrophobicContact CB-CZ 4.14Å
64C89.1Confident81.8Confident0 Ų060.8 Ų60.80%031%0.312CS..EExtended strand (participates in β ladder)trans-81.6154.9176.260.70000111.2C5 C10 T12 I23 S24 F25 K66 H67C5-C64 HydrophobicContact CB-CB 4.32Å; C5-C64 PolarHBondContact SG-N 2.99Å; C10-C64 VanDerWaalsContact SG-SG 3.66Å; T12-C64 HydrophobicContact CG2-CB 4.24Å; I23-C64 HydrophobicContact CG2-CB 3.77Å; S24-C64 CarbonylContact O-C 3.59Å; S24-C64 VanDerWaalsContact O-CA 3.28Å; S24-C64 WeakPolarHBondContact O-CA 3.47Å; F25-C64 HydrophobicContact CD1-CB 4.32Å; F25-C64 HydrophobicContact CE1-CB 4.05Å; F25-C64 HydrophobicContact CZ-CB 4.31Å; C64-K66 PolarHBondContact O-N 3.45Å; C64-H67 PolarHBondContact O-N 3.44Å; C64-H67 PolarHBondContact SG-CD2 3.26Å; C64-H67 PolarHBondContact SG-NE2 3.25Å
65S87.9Confident81.9Confident19 Ų1965.1 Ų65.113%0.13334%0.337CS..G310 helixtrans-55.2-25.7-178.953.10000114.7I23 S24 H67 F68I23-S65 WeakPolarHBondContact CA-OG 2.92Å; S24-S65 PolarHBondContact N-OG 3.05Å; S24-S65 PolarHBondContact O-N 3.32Å; S24-S65 WeakPolarHBondContact OG-CB 3.28Å; S65-H67 PolarHBondContact O-N 2.89Å; S65-F68 PolarHBondContact O-N 3.01Å; S65-F68 VanDerWaalsContact O-O 3.08Å
66K86.3Confident81.3Confident87 Ų8764 Ų6438%0.37833%0.333SS..G310 helixtrans-54.4-22.1177-62.8-174173.3-173.50115.3C64C64-K66 PolarHBondContact O-N 3.45Å
67H86.9Confident80.7Confident9 Ų966.1 Ų66.14%0.04236%0.358CS..G310 helixtrans-89.4-8.7-179.2-62.6-63.7000113C5 A7 C10 C64 S65 P90 T91 I92 F96C5-H67 PolarHBondContact SG-NE2 3.43Å; A7-H67 VanDerWaalsContact CB-NE2 3.27Å; A7-H67 WeakPolarHBondContact CB-NE2 3.07Å; C10-H67 PolarHBondContact SG-NE2 2.97Å; C10-H67 VanDerWaalsContact SG-NE2 3.38Å; C64-H67 PolarHBondContact O-N 3.44Å; C64-H67 PolarHBondContact SG-CD2 3.26Å; C64-H67 PolarHBondContact SG-NE2 3.25Å; S65-H67 PolarHBondContact O-N 2.89Å; H67-P90 HydrophobicContact CB-CB 3.82Å; H67-P90 CarbonylContact O-C 3.59Å; H67-P90 WeakPolarHBondContact O-CA 3.08Å; H67-P90 WeakPolarHBondContact O-CB 3.45Å; H67-T91 PolarHBondContact O-N 3.24Å; H67-T91 VanDerWaalsContact O-N 3.12Å; H67-I92 PolarHBondContact O-N 3.15Å; H67-I92 VanDerWaalsContact O-N 3.11Å; H67-F96 AromaticContact CE1-CE2 3.76Å
68F87.1Confident80Confident4 Ų469.8 Ų69.82%0.01836%0.361CS..SBendtrans-111.4141.9-178.7-57.5-89.4000109W39 F63 S65 C72 F73 L84 P90 I92W39-F68 HydrophobicContact CD2-CE1 4.27Å; W39-F68 HydrophobicContact CD2-CZ 4.18Å; W39-F68 AromaticContact CE2-CE1 3.63Å; W39-F68 AromaticContact CE2-CZ 3.89Å; W39-F68 HydrophobicContact CE3-CZ 4.03Å; W39-F68 AromaticContact CH2-CE1 3.8Å; W39-F68 HydrophobicContact CH2-CE1 3.8Å; W39-F68 HydrophobicContact CH2-CE2 4.4Å; W39-F68 AromaticContact CH2-CZ 3.39Å; W39-F68 HydrophobicContact CH2-CZ 3.39Å; W39-F68 AromaticContact CZ2-CE1 3.37Å; W39-F68 HydrophobicContact CZ2-CE1 3.37Å; W39-F68 AromaticContact CZ2-CZ 3.51Å; W39-F68 HydrophobicContact CZ2-CZ 3.51Å; W39-F68 HydrophobicContact CZ3-CE1 4.36Å; W39-F68 AromaticContact CZ3-CZ 3.65Å; W39-F68 HydrophobicContact CZ3-CZ 3.65Å; F63-F68 HydrophobicContact CB-CE2 3.87Å; F63-F68 HydrophobicContact CB-CZ 4.14Å; S65-F68 PolarHBondContact O-N 3.01Å; S65-F68 VanDerWaalsContact O-O 3.08Å; F68-C72 HydrophobicContact CB-CB 4.31Å; F68-F73 HydrophobicContact CB-CE1 4.49Å; F68-F73 HydrophobicContact CB-CE2 3.87Å; F68-F73 HydrophobicContact CB-CZ 3.62Å; F68-F73 HydrophobicContact CD2-CZ 4.45Å; F68-F73 HydrophobicContact CG-CZ 4.31Å; F68-L84 HydrophobicContact CB-CD2 3.92Å; F68-L84 HydrophobicContact CD1-CD1 3.9Å; F68-L84 HydrophobicContact CD1-CD2 3.58Å; F68-L84 HydrophobicContact CD1-CG 4.42Å; F68-L84 HydrophobicContact CD2-CD1 4.21Å; F68-L84 HydrophobicContact CD2-CD2 4.21Å; F68-L84 HydrophobicContact CE1-CD1 3.59Å; F68-L84 HydrophobicContact CE1-CD2 4.14Å; F68-L84 HydrophobicContact CE2-CD1 3.93Å; F68-L84 HydrophobicContact CG-CD1 4.21Å; F68-L84 HydrophobicContact CG-CD2 3.62Å; F68-L84 HydrophobicContact CZ-CD1 3.61Å; F68-P90 HydrophobicContact CD1-CB 4.42Å; F68-P90 HydrophobicContact CE1-CB 4.08Å; F68-P90 HydrophobicContact CE1-CG 4.34Å; F68-P90 HydrophobicContact CZ-CB 4.21Å; F68-P90 HydrophobicContact CZ-CG 4.49Å; F68-I92 WeakPolarHBondContact O-CD1 3.38Å
69E84.1Confident79.1Confident85 Ų8570.5 Ų70.540%0.39737%0.365SS..  trans-62.5149.3168.9-75.7165.2-148.100111.4N71 C72 F73 T91 I92E69-N71 PolarHBondContact O-N 3.01Å; E69-N71 VanDerWaalsContact O-N 3.14Å; E69-C72 WeakPolarHBondContact O-CB 3.34Å; E69-C72 PolarHBondContact O-N 3.18Å; E69-F73 VanDerWaalsContact O-CD2 3.28Å; E69-F73 WeakPolarHBondContact O-CD2 2.81Å; E69-F73 VanDerWaalsContact O-CE2 3.22Å; E69-F73 WeakPolarHBondContact O-CE2 3.39Å; E69-T91 PolarHBondContact OE1-OG1 2.9Å; E69-I92 HydrophobicContact CG-CD1 4.14Å; E69-I92 HydrophobicContact CG-CG1 4.11Å
70E80Confident78.3Confident176 Ų17666.8 Ų66.882%0.82236%0.36SS*.G310 helixtrans-59.7-28.3178.5-61.7-176.217300111.7C72 F73E70-C72 VanDerWaalsContact C-N 3.26Å; E70-C72 PolarHBondContact O-N 3.22Å; E70-F73 WeakPolarHBondContact O-CD2 3.18Å; E70-F73 PolarHBondContact O-N 3.34Å
71N81.1Confident77.4Confident124 Ų12467.1 Ų67.166%0.66336%0.362SS*.G310 helixtrans-72.5-16.3176.4-64.4-20.8000114.2E69 F73 K85E69-N71 PolarHBondContact O-N 3.01Å; E69-N71 VanDerWaalsContact O-N 3.14Å; N71-F73 PolarHBondContact O-N 3.45Å; N71-K85 WeakPolarHBondContact O-CE 3.21Å; N71-K85 PolarHBondContact O-NZ 3.27Å
72C82.8Confident76.7Confident20 Ų2071.2 Ų71.214%0.13538%0.38CS..G310 helixtrans-80-1.1176.9-75.50000112.8F68 E69 E70 L84 K85 A88F68-C72 HydrophobicContact CB-CB 4.31Å; E69-C72 WeakPolarHBondContact O-CB 3.34Å; E69-C72 PolarHBondContact O-N 3.18Å; E70-C72 VanDerWaalsContact C-N 3.26Å; E70-C72 PolarHBondContact O-N 3.22Å; C72-L84 HydrophobicContact CB-CD2 4.22Å; C72-L84 WeakPolarHBondContact O-CA 3.37Å; C72-K85 WeakPolarHBondContact O-CG 3.38Å; C72-K85 PolarHBondContact O-N 3Å; C72-A88 HydrophobicContact CB-CB 3.58Å; C72-A88 WeakPolarHBondContact O-CB 3.44Å
73F83.8Confident76.3Confident30 Ų3077.3 Ų77.313%0.13240%0.403CS..EExtended strand (participates in β ladder)trans-102.8137.4177.6-58.5-81.3000111.4H26 F68 E69 E70 N71 H82 R83 L84H26-F73 AromaticContact CE1-CE1 3.95Å; H26-F73 AromaticContact NE2-CE1 3.49Å; H26-F73 WeakPolarHBondContact NE2-CE1 3.43Å; F68-F73 HydrophobicContact CB-CE1 4.49Å; F68-F73 HydrophobicContact CB-CE2 3.87Å; F68-F73 HydrophobicContact CB-CZ 3.62Å; F68-F73 HydrophobicContact CD2-CZ 4.45Å; F68-F73 HydrophobicContact CG-CZ 4.31Å; E69-F73 VanDerWaalsContact O-CD2 3.28Å; E69-F73 WeakPolarHBondContact O-CD2 2.81Å; E69-F73 VanDerWaalsContact O-CE2 3.22Å; E69-F73 WeakPolarHBondContact O-CE2 3.39Å; E70-F73 WeakPolarHBondContact O-CD2 3.18Å; E70-F73 PolarHBondContact O-N 3.34Å; N71-F73 PolarHBondContact O-N 3.45Å; F73-H82 HydrophobicContact CB-CB 4.05Å; F73-H82 HydrophobicContact CD1-CB 3.79Å; F73-H82 HydrophobicContact CG-CB 4.14Å; F73-R83 CarbonylContact C-O 3.6Å; F73-R83 VanDerWaalsContact CA-O 3.29Å; F73-R83 WeakPolarHBondContact CA-O 2.98Å; F73-L84 HydrophobicContact CD1-CD2 3.61Å; F73-L84 HydrophobicContact CD1-CG 4.19Å; F73-L84 HydrophobicContact CE1-CD2 3.32Å; F73-L84 HydrophobicContact CE1-CG 3.97Å; F73-L84 HydrophobicContact CG-CD2 4.34Å; F73-L84 HydrophobicContact CZ-CD2 3.85Å
74E81.4Confident76.1Confident88 Ų8878.7 Ų78.741%0.41141%0.411SS..EExtended strand (participates in β ladder)trans-108.2131166.2-87.6158.4-159.500108.3V76 R83 K85E74-V76 HydrophobicContact CB-CG2 4.24Å; E74-V76 PolarHBondContact O-N 3.48Å; E74-R83 PolarHBondContact N-O 3.4Å; E74-R83 PolarHBondContact O-N 2.92Å; E74-K85 HydrophobicContact CB-CG 4.45Å; E74-K85 VanDerWaalsContact CD-CG 3.48Å; E74-K85 HydrophobicContact CG-CD 4.05Å; E74-K85 VanDerWaalsContact CG-CE 3.44Å; E74-K85 HydrophobicContact CG-CG 3.7Å; E74-K85 WeakPolarHBondContact OE1-CD 3.46Å; E74-K85 VanDerWaalsContact OE1-CE 3.24Å; E74-K85 WeakPolarHBondContact OE1-CE 3.41Å; E74-K85 WeakPolarHBondContact OE1-CG 3.37Å
75L72Confident75.9Confident126 Ų12682.4 Ų82.466%0.6643%0.427SS*.EExtended strand (participates in β ladder)trans-72.5110.3164.6-87.383.8000107.6
76V61.9Low75.1Confident64 Ų6490.1 Ų90.139%0.38846%0.46SS..EExtended strand (participates in β ladder)trans-101.8110.7175.6-179.80000109.3E74 Y81 R83E74-V76 HydrophobicContact CB-CG2 4.24Å; E74-V76 PolarHBondContact O-N 3.48Å; V76-Y81 PolarHBondContact N-O 2.93Å; V76-R83 HydrophobicContact CB-CG 4.26Å; V76-R83 HydrophobicContact CG2-CB 4.02Å; V76-R83 HydrophobicContact CG2-CG 4.15Å
77G60.9Low74.5Confident61 Ų6188.8 Ų88.863%0.62947%0.471SS*.THydrogen-bonded Turntrans81-174.2170.600000116.1S79G77-S79 PolarHBondContact O-N 2.88Å
78I54.5Low74.2Confident187 Ų18788.4 Ų88.496%0.95947%0.47SS*.THydrogen-bonded Turntrans-71.9-8.1-177.3-39.8171.6000111.9
79S57.8Low73.9Confident78 Ų7889.2 Ų89.255%0.54548%0.475SS..THydrogen-bonded Turntrans-90.3-4.5-171.4-169.80000114.5G77 Y81G77-S79 PolarHBondContact O-N 2.88Å; S79-Y81 PolarHBondContact O-N 3.47Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.38Å; S79-Y81 WeakPolarHBondContact OG-CE2 3.27Å
80G59.3Low73.8Confident45 Ų4585.3 Ų85.346%0.46446%0.457SS..THydrogen-bonded Turntrans64.618.3176.900000115.3
81Y63.2Low73.6Confident169 Ų16979.3 Ų79.366%0.66343%0.433SS*.EExtended strand (participates in β ladder)trans-82.5124.9176.5-74.4-70.8000110.8V76 S79 R83V76-Y81 PolarHBondContact N-O 2.93Å; S79-Y81 PolarHBondContact O-N 3.47Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.38Å; S79-Y81 WeakPolarHBondContact OG-CE2 3.27Å; Y81-R83 PolarHBondContact O-N 3.13Å
82H73.3Confident73.2Confident93 Ų9376.1 Ų76.143%0.43142%0.415SS..EExtended strand (participates in β ladder)trans-73.3114.1171.9-61.1148.3000110.2H26 F73H26-H82 PolarHBondContact CE1-O 3.46Å; F73-H82 HydrophobicContact CB-CB 4.05Å; F73-H82 HydrophobicContact CD1-CB 3.79Å; F73-H82 HydrophobicContact CG-CB 4.14Å
83R80.5Confident72.5Confident158 Ų15879.6 Ų79.660%0.59643%0.428SS*.EExtended strand (participates in β ladder)trans-102.6149.8168.7-64.9-177.178-172.62.3108.9F73 E74 V76 Y81F73-R83 CarbonylContact C-O 3.6Å; F73-R83 VanDerWaalsContact CA-O 3.29Å; F73-R83 WeakPolarHBondContact CA-O 2.98Å; E74-R83 PolarHBondContact N-O 3.4Å; E74-R83 PolarHBondContact O-N 2.92Å; V76-R83 HydrophobicContact CB-CG 4.26Å; V76-R83 HydrophobicContact CG2-CB 4.02Å; V76-R83 HydrophobicContact CG2-CG 4.15Å; Y81-R83 PolarHBondContact O-N 3.13Å
84L84.8Confident71.4Confident30 Ų3083.9 Ų83.916%0.15745%0.448CS..EExtended strand (participates in β ladder)trans-81.5134.6177.6-73.6169.5000110.1H26 W39 F68 C72 F73 A88H26-L84 HydrophobicContact CB-CD1 3.52Å; W39-L84 HydrophobicContact CH2-CD1 3.42Å; W39-L84 VanDerWaalsContact CH2-CD1 3.42Å; W39-L84 HydrophobicContact CZ2-CD1 3.53Å; F68-L84 HydrophobicContact CB-CD2 3.92Å; F68-L84 HydrophobicContact CD1-CD1 3.9Å; F68-L84 HydrophobicContact CD1-CD2 3.58Å; F68-L84 HydrophobicContact CD1-CG 4.42Å; F68-L84 HydrophobicContact CD2-CD1 4.21Å; F68-L84 HydrophobicContact CD2-CD2 4.21Å; F68-L84 HydrophobicContact CE1-CD1 3.59Å; F68-L84 HydrophobicContact CE1-CD2 4.14Å; F68-L84 HydrophobicContact CE2-CD1 3.93Å; F68-L84 HydrophobicContact CG-CD1 4.21Å; F68-L84 HydrophobicContact CG-CD2 3.62Å; F68-L84 HydrophobicContact CZ-CD1 3.61Å; C72-L84 HydrophobicContact CB-CD2 4.22Å; C72-L84 WeakPolarHBondContact O-CA 3.37Å; F73-L84 HydrophobicContact CD1-CD2 3.61Å; F73-L84 HydrophobicContact CD1-CG 4.19Å; F73-L84 HydrophobicContact CE1-CD2 3.32Å; F73-L84 HydrophobicContact CE1-CG 3.97Å; F73-L84 HydrophobicContact CG-CD2 4.34Å; F73-L84 HydrophobicContact CZ-CD2 3.85Å; L84-A88 HydrophobicContact CB-CB 3.87Å; L84-A88 HydrophobicContact CD2-CB 3.91Å; L84-A88 HydrophobicContact CG-CB 4.43Å
85K83.5Confident69.9Low77 Ų7783.2 Ų83.234%0.33545%0.454SS..PPolyproline II helixtrans-60.3160.5179.4-56.6-163.4166.2154.10113.6R35 N71 C72 E74 G87 A88R35-K85 PolarHBondContact NH1-O 3.15Å; R35-K85 PolarHBondContact NH2-O 3.04Å; N71-K85 WeakPolarHBondContact O-CE 3.21Å; N71-K85 PolarHBondContact O-NZ 3.27Å; C72-K85 WeakPolarHBondContact O-CG 3.38Å; C72-K85 PolarHBondContact O-N 3Å; E74-K85 HydrophobicContact CB-CG 4.45Å; E74-K85 VanDerWaalsContact CD-CG 3.48Å; E74-K85 HydrophobicContact CG-CD 4.05Å; E74-K85 VanDerWaalsContact CG-CE 3.44Å; E74-K85 HydrophobicContact CG-CG 3.7Å; E74-K85 WeakPolarHBondContact OE1-CD 3.46Å; E74-K85 VanDerWaalsContact OE1-CE 3.24Å; E74-K85 WeakPolarHBondContact OE1-CE 3.41Å; E74-K85 WeakPolarHBondContact OE1-CG 3.37Å; K85-G87 PolarHBondContact O-N 3.17Å; K85-A88 HydrophobicContact CB-CB 4.21Å; K85-A88 WeakPolarHBondContact O-CB 2.89Å; K85-A88 PolarHBondContact O-N 2.93Å
86E72Confident69Low181 Ų18180.3 Ų80.385%0.84644%0.436SS*.THydrogen-bonded Turntrans-16-47.9151.731.6165.5125.700119.1R35R35-E86 PolarHBondContact NE-O 3.34Å; R35-E86 VanDerWaalsContact NH2-CA 3.27Å; R35-E86 PolarHBondContact NH2-O 3.17Å
87G72.9Confident68.4Low59 Ų5980.7 Ų80.761%0.60844%0.442SS*.THydrogen-bonded Turntrans-117.33.8-173.900000114.3K85 V89K85-G87 PolarHBondContact O-N 3.17Å; G87-V89 PolarHBondContact O-N 3.24Å
88A81.3Confident67.6Low2 Ų285.1 Ų85.12%0.01744%0.443CS..  trans-68.4115.9-170.200000111.9R35 W39 C72 L84 K85R35-A88 WeakPolarHBondContact CD-O 3.4Å; W39-A88 PolarHBondContact NE1-O 2.98Å; C72-A88 HydrophobicContact CB-CB 3.58Å; C72-A88 WeakPolarHBondContact O-CB 3.44Å; L84-A88 HydrophobicContact CB-CB 3.87Å; L84-A88 HydrophobicContact CD2-CB 3.91Å; L84-A88 HydrophobicContact CG-CB 4.43Å; K85-A88 HydrophobicContact CB-CB 4.21Å; K85-A88 WeakPolarHBondContact O-CB 2.89Å; K85-A88 PolarHBondContact O-N 2.93Å
89V82Confident67.3Low20 Ų2084 Ų8412%0.12144%0.439CS..  trans-122.4151.3178.7-64.10000110.1R35 L38 G87 T91R35-V89 HydrophobicContact CG-CG1 3.7Å; L38-V89 HydrophobicContact CB-CG1 4.08Å; L38-V89 HydrophobicContact CD2-CB 4.06Å; L38-V89 HydrophobicContact CD2-CG1 3.36Å; L38-V89 HydrophobicContact CD2-CG2 4.04Å; L38-V89 HydrophobicContact CG-CB 4.04Å; L38-V89 HydrophobicContact CG-CG1 3.62Å; L38-V89 HydrophobicContact CG-CG2 4.32Å; G87-V89 PolarHBondContact O-N 3.24Å; V89-T91 HydrophobicContact CG2-CG2 3.84Å; V89-T91 PolarHBondContact O-N 2.94Å
90P81.2Confident66.7Low3 Ų390.9 Ų90.92%0.01945%0.453CS..  trans-71104178.525.8-29000108.7W39 N42 H67 F68W39-P90 HydrophobicContact CB-CG 4.38Å; W39-P90 VanDerWaalsContact CD1-CD 3.41Å; W39-P90 HydrophobicContact CG-CG 4.2Å; N42-P90 HydrophobicContact CB-CG 3.93Å; N42-P90 WeakPolarHBondContact CB-O 3.21Å; N42-P90 PolarHBondContact ND2-O 2.9Å; H67-P90 HydrophobicContact CB-CB 3.82Å; H67-P90 CarbonylContact O-C 3.59Å; H67-P90 WeakPolarHBondContact O-CA 3.08Å; H67-P90 WeakPolarHBondContact O-CB 3.45Å; F68-P90 HydrophobicContact CD1-CB 4.42Å; F68-P90 HydrophobicContact CE1-CB 4.08Å; F68-P90 HydrophobicContact CE1-CG 4.34Å; F68-P90 HydrophobicContact CZ-CB 4.21Å; F68-P90 HydrophobicContact CZ-CG 4.49Å
91T76.3Confident66Low51 Ų5199 Ų9931%0.31347%0.469SS..  trans-100.4-17.4179.351.30000112.2H67 E69 V89 F93H67-T91 PolarHBondContact O-N 3.24Å; H67-T91 VanDerWaalsContact O-N 3.12Å; E69-T91 PolarHBondContact OE1-OG1 2.9Å; V89-T91 HydrophobicContact CG2-CG2 3.84Å; V89-T91 PolarHBondContact O-N 2.94Å; T91-F93 WeakPolarHBondContact O-CD2 3.46Å; T91-F93 PolarHBondContact O-N 3.24Å
92I72.9Confident65.1Low57 Ų5798.2 Ų98.229%0.29248%0.475SS..  trans-86.598.7-176.1-54.8-179.6000109.9H67 F68 E69 E94H67-I92 PolarHBondContact O-N 3.15Å; H67-I92 VanDerWaalsContact O-N 3.11Å; F68-I92 WeakPolarHBondContact O-CD1 3.38Å; E69-I92 HydrophobicContact CG-CD1 4.14Å; E69-I92 HydrophobicContact CG-CG1 4.11Å; I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 HydrophobicContact CG2-CB 4.2Å; I92-E94 PolarHBondContact O-N 2.73Å
93F66.4Low63.7Low93 Ų9398.8 Ų98.841%0.40849%0.485SS..  trans-93.459.3171.5-48.9-53.7000110.8N42 Q44 T91 S95N42-F93 HydrophobicContact CB-CE1 3.73Å; N42-F93 HydrophobicContact CB-CZ 3.68Å; N42-F93 WeakPolarHBondContact O-CD1 3.04Å; N42-F93 WeakPolarHBondContact O-CE1 3.28Å; Q44-F93 VanDerWaalsContact NE2-CD1 3.32Å; T91-F93 WeakPolarHBondContact O-CD2 3.46Å; T91-F93 PolarHBondContact O-N 3.24Å; F93-S95 PolarHBondContact O-N 3.11Å
94E61.4Low62.2Low119 Ų119100.7 Ų100.756%0.55650%0.498SS*.  trans-60.3119.2171.7-161.3156.4-136.100107.6I92 F96I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 HydrophobicContact CG2-CB 4.2Å; I92-E94 PolarHBondContact O-N 2.73Å; E94-F96 HydrophobicContact CB-CD2 4.49Å; E94-F96 HydrophobicContact CB-CE1 4.42Å; E94-F96 HydrophobicContact CB-CE2 3.73Å; E94-F96 HydrophobicContact CB-CZ 3.68Å; E94-F96 HydrophobicContact CG-CE1 4.34Å; E94-F96 HydrophobicContact CG-CE2 4.49Å; E94-F96 HydrophobicContact CG-CZ 4Å; E94-F96 WeakPolarHBondContact O-CD2 3.31Å; E94-F96 VanDerWaalsContact O-CE2 3.28Å; E94-F96 WeakPolarHBondContact O-CE2 3.46Å; E94-F96 WeakPolarHBondContact O-CG 3.44Å; E94-F96 PolarHBondContact O-N 3.12Å
95S49.1Very low60Low75 Ų75106.2 Ų106.252%0.52453%0.533SS..  trans-72.271.7-161.9-48.30000112.5F93 S97 K98F93-S95 PolarHBondContact O-N 3.11Å; S95-S97 PolarHBondContact O-N 3.01Å; S95-K98 PolarHBondContact O-N 2.99Å
96F53.9Low57.6Low65 Ų65112.8 Ų112.829%0.28556%0.561SS.*G310 helixtrans-65.8-6.9177.2-57.5-67.8000112.8G9 H67 E94 K98G9-F96 WeakPolarHBondContact O-CB 3.15Å; H67-F96 AromaticContact CE1-CE2 3.76Å; E94-F96 HydrophobicContact CB-CD2 4.49Å; E94-F96 HydrophobicContact CB-CE1 4.42Å; E94-F96 HydrophobicContact CB-CE2 3.73Å; E94-F96 HydrophobicContact CB-CZ 3.68Å; E94-F96 HydrophobicContact CG-CE1 4.34Å; E94-F96 HydrophobicContact CG-CE2 4.49Å; E94-F96 HydrophobicContact CG-CZ 4Å; E94-F96 WeakPolarHBondContact O-CD2 3.31Å; E94-F96 VanDerWaalsContact O-CE2 3.28Å; E94-F96 WeakPolarHBondContact O-CE2 3.46Å; E94-F96 WeakPolarHBondContact O-CG 3.44Å; E94-F96 PolarHBondContact O-N 3.12Å; F96-K98 PolarHBondContact O-N 3.2Å
97S48.4Very low55.7Low72 Ų72107.9 Ų107.950%0.50356%0.559SS.*G310 helixtrans-63-22.6173.2-51.30000114S95 L99S95-S97 PolarHBondContact O-N 3.01Å; S97-L99 VanDerWaalsContact C-N 3.34Å; S97-L99 PolarHBondContact O-N 3.02Å
98K44.3Very low53.8Low153 Ų153113.7 Ų113.767%0.66557%0.57SS**G310 helixtrans-76.6-15.2-175.3-67.8-176.7-177.6175.90114.3S95 F96 R100S95-K98 PolarHBondContact O-N 2.99Å; F96-K98 PolarHBondContact O-N 3.2Å; K98-R100 VanDerWaalsContact C-N 3.32Å; K98-R100 PolarHBondContact O-N 2.82Å
99L48.6Very low51.6Low165 Ų165117.6 Ų117.686%0.86460%0.598SS**G310 helixtrans-80.5-7-178.4-118.674.6000114.9S97S97-L99 VanDerWaalsContact C-N 3.34Å; S97-L99 PolarHBondContact O-N 3.02Å
100R46.1Very low49.2Very low222 Ų222127 Ų12784%0.83863%0.632SS**G310 helixtrans-92.6-10.9-179.8-71.1-157.4-170.4-149.37.1115.3K98K98-R100 VanDerWaalsContact C-N 3.32Å; K98-R100 PolarHBondContact O-N 2.82Å
101R44.2Very low47.5Very low214 Ų214132 Ų13281%0.80867%0.665SS**SBendtrans-104.5-4.1-167-113.7-175.4-73164.8-4.7117.1
102I43.2Very low46.4Very low153 Ų153135.7 Ų135.779%0.78569%0.69SS**SBendtrans-90-5.8-174.9-57.3172.3000113.2
103T45.7Very low44.2Very low106 Ų106136.3 Ų136.365%0.6571%0.711SS**SBendtrans-12272.7-18065.70000111.6
104K47.3Very low43.4Very low198 Ų198137.8 Ų137.886%0.86173%0.73SS**  trans175.779.2155.2-100170-178.1-167.10110.6
105T38.8Very low42Very low145 Ų145137.6 Ų137.689%0.8974%0.741SS**  trans-160.289.6155.245.80000111.1
106K33.4Very low41.2Very low215 Ų215142.6 Ų142.694%0.93576%0.756SS**  trans178.6107147.5-121-179.7175.3179.30103.5
107G33.4Very low40.2Very low78 Ų78144.5 Ų144.580%0.80477%0.773SS**  cis109.579.133.900000107.7
108H33.1Very low39.9Very low181 Ų181145.8 Ų145.884%0.83878%0.782SS**  trans-155.9126.5154.3-149.8-62.7000110.2
109S33.9Very low39.3Very low85 Ų85149.4 Ų149.459%0.59479%0.791SS**  trans-58.6152.9173.739.40000112.8
110Y32.4Very low39Very low216 Ų216150.5 Ų150.585%0.84780%0.797SS**  -167.5-170.851.7-121.9-65.2000110.5
111P43.9Very low38.4Very low110 Ų110150.8 Ų150.871%0.71480%0.798SS**  -114.6-153.4-121.950.2-33.3000115.8
112P54.2Low38.3Very low128 Ų128152 Ų15283%0.83180%0.803SS**  -111.1161.1-114.235.3-15.2000115.9
113G27.3Very low38Very low70 Ų70150 Ų15072%0.72280%0.801SS**  trans-153.1144.2167.700000111.6
114P48.3Very low37.9Very low124 Ų124156.9 Ų156.981%0.80582%0.815SS**  trans-94.9178.2-167.538.4-34000112.8
115S32.7Very low37.4Very low114 Ų114155.2 Ų155.280%0.79781%0.808SS**  trans103.399.116966.70000117.9
116E32.5Very low37.4Very low181 Ų181159.7 Ų159.785%0.84681%0.808SS**  64.8144114.3-132.2-152.2166.700122.3
117V31.7Very low37.4Very low104 Ų104154 Ų15463%0.6380%0.795SS**  trans82.1106.5157.7-157.80000119.3
118S42.1Very low37.7Very low99 Ų99155.8 Ų155.869%0.69280%0.795SS**  trans37.3122.1137.4-51.80000119.6
119R33.4Very low38.2Very low230 Ų230156.3 Ų156.387%0.86880%0.798SS**  trans-170108.6134-104.5165.1-118.5-140.66.6111.7R121R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.29Å
120L41Very low38.1Very low187 Ų187155.9 Ų155.998%0.97981%0.807SS**  trans-55.192158.1-80.5160.1000109.4R122L120-R122 PolarHBondContact O-N 3.48Å
121R34Very low38.4Very low229 Ų229156.7 Ų156.786%0.86481%0.808SS**  trans-81.1102.9171.8-88.5-170.8173.4-129.42.4109.9R119 C123R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.29Å; R121-C123 PolarHBondContact O-N 3.38Å
122R42.7Very low37.9Very low240 Ų240154.3 Ų154.391%0.90680%0.803SS**  trans-40.9103.9159.2-174.1176.3-71.2179-2.5110.2L120 R124L120-R122 PolarHBondContact O-N 3.48Å; R122-R124 PolarHBondContact O-N 3.5Å
123C35.8Very low37.2Very low111 Ų111154.6 Ų154.675%0.7581%0.805SS**  trans-7490179.5-164.60000109.8R121 K125R121-C123 PolarHBondContact O-N 3.38Å; C123-K125 PolarHBondContact O-N 3.41Å
124R43.9Very low37.5Very low249 Ų249157 Ų15794%0.9481%0.806SS**  trans-8583.9167.4-155.5-179.1-168.6-177.43.6106.9R122R122-R124 PolarHBondContact O-N 3.5Å
125K37.1Very low37.3Very low164 Ų164157 Ų15771%0.71380%0.804SS**  trans-115.6117.4173.1-125.2176.7-178.2-176.90109.8C123 C127C123-K125 PolarHBondContact O-N 3.41Å; K125-C127 PolarHBondContact O-N 3.45Å
126R39Very low37.8Very low238 Ų238157.2 Ų157.290%0.89880%0.803SS**  trans-61.7114.1170.3176.1-178.8-70.3-103.72107.3S128R126-S128 PolarHBondContact O-N 3.2Å
127C33Very low37.8Very low97 Ų97158.2 Ų158.266%0.65581%0.805SS**  trans-73.4115.4170.3-67.40000107.9K125K125-C127 PolarHBondContact O-N 3.45Å
128S39.2Very low38.1Very low115 Ų115158.6 Ų158.680%0.80481%0.812SS**  trans-61.8137.1165.636.70000110.2R126R126-S128 PolarHBondContact O-N 3.2Å
129E43.1Very low38.5Very low191 Ų191159.6 Ų159.689%0.89382%0.816SS**  trans-66.7133.4178.1-62.2-179.2134.600110.6
130G32Very low39.3Very low76 Ų76154.2 Ų154.278%0.78481%0.811SS**  trans-113.4122.1173.400000109.7
131R39.2Very low39.5Very low234 Ų234150.9 Ų150.988%0.88380%0.801SS**  trans-46142173.1-83.5170.4161.7-110.10.6112.9
132G33.8Very low39.8Very low59 Ų59146.1 Ų146.161%0.60880%0.799SS**PPolyproline II helixtrans-71.6161.6161.800000112.1
133P40.2Very low39.7Very low135 Ų135139.2 Ų139.288%0.87779%0.793SS**PPolyproline II helixtrans-68.9140-17821.8-22.8000112
134T32.8Very low39.9Very low119 Ų119141.2 Ų141.273%0.7380%0.797SS**PPolyproline II helixtrans-86.2122.9-179.9-490000108.8
135T43.3Very low39.5Very low125 Ų125135.7 Ų135.777%0.76779%0.79SS**PPolyproline II helixtrans-86.3145.516446.30000109.6
136P45Very low39.7Very low119 Ų119134 Ų13477%0.77379%0.794SS**PPolyproline II helixtrans-84.6129.5-177.431-29.4000112.5
137F31.7Very low39.3Very low202 Ų202128.3 Ų128.389%0.88679%0.789SS**  trans13.5129.1154.2-73.6-89.9000121.2
138S38.6Very low39.2Very low112 Ų112132.1 Ų132.178%0.78380%0.795SS**  trans-134.5140.8143-61.20000108
139P50Low39.1Very low120 Ų120132.9 Ų132.978%0.77980%0.797SS**PPolyproline II helixtrans-80.9157-172.632.7-33.3000112.6
140P49.8Very low38.6Very low117 Ų117129 Ų12976%0.7679%0.786SS**PPolyproline II helixtrans-86.5151.5179.434.9-32.9000112.4
141P45.1Very low38.9Very low117 Ų117132.7 Ų132.776%0.7678%0.783SS**PPolyproline II helixtrans-79.3158163.633.3-31.5000111.3
142P41.3Very low38.5Very low129 Ų129129.7 Ų129.784%0.83878%0.779SS**PPolyproline II helixtrans-75.5151.9-169.631-34.6000113.2
143A39.8Very low38.3Very low94 Ų94130.6 Ų130.678%0.77778%0.78SS**PPolyproline II helixtrans-79.3123.4173.300000110.3
144D40.1Very low37.9Very low154 Ų154129.9 Ų129.982%0.82478%0.779SS**  trans-159.4108.7152-91.2-32.6000106.5
145V35.3Very low37.8Very low133 Ų133128.5 Ų128.581%0.80678%0.779SS**  trans-169.898.5135.9177.60000106.4
146T40.7Very low37.8Very low129 Ų129128.6 Ų128.679%0.79178%0.782SS**  trans-58.1128.1151.514.40000109.8
147C31.7Very low37.2Very low117 Ų117127.1 Ų127.179%0.79178%0.78SS**  trans-156.488.7151.1-97.30000109.3
148F31.8Very low37Very low178 Ų178124.1 Ų124.178%0.78178%0.779SS**  trans-63.1154.6143.5-85.8-86.3000108.6V150F148-V150 HydrophobicContact CD1-CG2 3.71Å; F148-V150 HydrophobicContact CE1-CG2 4.21Å; F148-V150 HydrophobicContact CG-CG2 4.38Å
149P36.8Very low36.9Very low130 Ų130126.3 Ų126.384%0.84478%0.781SS**  -117.2128.2117.3-624.8000111.4
150V32.3Very low36.4Very low109 Ų109126.5 Ų126.566%0.66178%0.782SS**  trans-98.7156161.5164.30000107.7F148F148-V150 HydrophobicContact CD1-CG2 3.71Å; F148-V150 HydrophobicContact CE1-CG2 4.21Å; F148-V150 HydrophobicContact CG-CG2 4.38Å
151E36.8Very low35.5Very low155 Ų155125.5 Ų125.572%0.72478%0.784SS**  trans103.4109.4168.3-67.3-147.190.700116.4
152E31.1Very low35Very low170 Ų170125.3 Ų125.379%0.79479%0.785SS**  81.2134.662.9-167.6165.7148.400109.4
153A31.1Very low35Very low78 Ų78125.2 Ų125.265%0.64578%0.784SS**  cis-157.1166.53.300000108
154S30.1Very low34.9Very low120 Ų120125.9 Ų125.984%0.83979%0.789SS**  trans135.9109.5136.7-68.30000114.1
155A31.2Very low34.4Very low90 Ų90122.3 Ų122.374%0.74479%0.789SS**  trans-75.2166.1148.800000109.3
156P43.8Very low34.6Very low128 Ų128127.1 Ų127.183%0.83179%0.793SS**  -142.3174.182.331.4-11000115.7
157A31.3Very low34.2Very low88 Ų88129.1 Ų129.173%0.72780%0.798SS**  trans-49.7163.2-176.700000117.4
158T28.8Very low34.5Very low139 Ų139131.8 Ų131.885%0.85380%0.799SS**  176.8136.5104.6-50.20000110
159L36.4Very low35Very low158 Ų158129 Ų12983%0.82780%0.798SS**  trans-73169.9169.3-56.7167.8000110.4
160P40.2Very low34.9Very low124 Ų124125.7 Ų125.781%0.80579%0.788SS**  -150.1155.274.233-10000117.3
161A30.1Very low35Very low96 Ų96128.3 Ų128.379%0.79380%0.797SS**  trans26.1140.1138.400000123.4
162S33.8Very low34.9Very low113 Ų113126 Ų12679%0.7980%0.798SS**  trans-45.8169.5166.1-480000116.1
163P41.8Very low35.1Very low127 Ų127123.7 Ų123.783%0.82580%0.801SS**  -135.1154.1109.335.6-24.4000114.5
164A37.9Very low35.7Very low107 Ų107125.2 Ų125.288%0.88480%0.804SS**  trans-70.7141.1165.200000110.5
165G29.4Very low35.6Very low79 Ų79128.9 Ų128.981%0.81481%0.806SS**  trans-154.89817500000110.9
166R39.4Very low35.9Very low235 Ų235130.2 Ų130.289%0.88781%0.809SS**  trans-66.7129.5169.7166.4-168.9-126.7-116-0.6110.5
167L32.1Very low35.6Very low170 Ų170130.7 Ų130.789%0.8981%0.805SS**  trans-159.3119149.2-75.2-174.9000110.7
168E38.3Very low35.9Very low174 Ų174133.7 Ų133.781%0.81381%0.808SS**  trans-65149.9150.3-75.6-76.6127.200108.2
169P41.6Very low36.4Very low119 Ų119135.1 Ų135.177%0.77381%0.809SS**  -151.5146.49029.8-8.2000115.8
170G36.4Very low36.4Very low61 Ų61131 Ų13163%0.62981%0.806SS**  trans-70.8146160.600000112.3
171L33.3Very low36.3Very low164 Ų164131.7 Ų131.786%0.85981%0.81SS**  trans-154.6113.4152.7-79.2-173.1000110
172S34.8Very low36.5Very low106 Ų106135.8 Ų135.874%0.74182%0.818SS**  trans43.1102.3137.358.60000120
173S35Very low36.4Very low122 Ų122133.9 Ų133.985%0.85382%0.816SS**  trans-89.2123.8152.7-172.20000108.9
174P43.2Very low36.1Very low110 Ų110133 Ų13371%0.71482%0.819SS**  trans-91.8162.6168.234.8-27.7000110.6
175F29.6Very low35.8Very low197 Ų197136.3 Ų136.386%0.86482%0.816SS**  trans88.465.7173.7-114.6-91.7000117.1
176S37.2Very low36.1Very low117 Ų117136.9 Ų136.982%0.81881%0.813SS**  trans-91.7118.4139.4-730000107.5
177D37.8Very low36Very low138 Ų138133.2 Ų133.274%0.73881%0.811SS**  trans-166.5144.7139.5-102.4-26.5000110.9
178L36.8Very low36.4Very low152 Ų152134 Ų13480%0.79681%0.81SS**  trans101.296.2163.8-55-173.6000118.8
179L40.2Very low36.3Very low168 Ų168130.8 Ų130.888%0.8881%0.813SS**  trans113.986.4133.2-59.7167000118.6
180G36.4Very low35.8Very low73 Ų73128.5 Ų128.575%0.75381%0.811SS**  64.9117.8107.600000120.9
181P37.6Very low35.5Very low137 Ų137132.3 Ų132.389%0.8983%0.826SS**PPolyproline II helixtrans-90.312516811.26.7000112
182L34.3Very low35.5Very low183 Ų183130.2 Ų130.296%0.95883%0.826SS**PPolyproline II helixtrans-91.7121.3165.7-88.6164.5000109.9
183G32.4Very low35.4Very low73 Ų73129.3 Ų129.375%0.75382%0.824SS**PPolyproline II helixtrans-70.7148-17700000113.9
184A33.8Very low35.3Very low107 Ų107132.2 Ų132.288%0.88483%0.825SS**PPolyproline II helixtrans-77.1125166.500000109.7
185Q31.9Very low35.1Very low178 Ų178131.8 Ų131.883%0.83282%0.822SS**  trans-120.2118.1159.3-89.6-10664.300106.7
186A36.3Very low35Very low90 Ų90127.8 Ų127.874%0.74482%0.818SS**  trans-86132.5164.600000107.1
187D36.5Very low35.3Very low158 Ų158127.9 Ų127.985%0.84582%0.816SS**  trans-149133.1153.8-108.4-41.8000110.6
188E40.1Very low35.3Very low188 Ų188129.6 Ų129.688%0.87982%0.82SS**  trans-85.9134.5-178.5-71.2-96.2129.100109.9
189A37.4Very low35.1Very low105 Ų105134 Ų13487%0.86883%0.826SS**  trans-158.5111.5154.400000110.5
190G30.4Very low34.9Very low72 Ų72134.4 Ų134.474%0.74282%0.823SS**  trans-85.2155.6167.200000112.4
191C30.3Very low35.2Very low140 Ų140137 Ų13795%0.94683%0.827SS**  trans-169.8138.4139.7-98.80000111.8
192S34.3Very low35.1Very low120 Ų120136.1 Ų136.184%0.83982%0.824SS**  trans-58.2150.5176.6-63.90000114.9
193A32.7Very low35.7Very low87 Ų87133 Ų13372%0.71981%0.814SS**  160.2119.9108.300000114.6
194Q33Very low36.6Very low184 Ų184137.3 Ų137.386%0.8682%0.819SS**  trans75.6153.1137.6-65.5-67.8-59.700122.6
195P37.4Very low37.6Very low100 Ų100140.3 Ų140.365%0.64982%0.815SS**  trans-111.6162.4-162.740.4-28.7000116.2
196S28.2Very low38.7Very low113 Ų113137.7 Ų137.779%0.7981%0.813SS**  trans71.2157.5154-103.10000118.9
197P44.4Very low39.8Very low119 Ų119144.1 Ų144.177%0.77382%0.818SS**  cis-137173.13437.2-15.8000118.8
198E36Very low40.9Very low174 Ų174142.5 Ų142.581%0.81382%0.817SS**  trans-35.1139.1171.7-62.4178.990.900116.7
199R34.1Very low42.1Very low246 Ų246139 Ų13993%0.92881%0.808SS**  trans-128.1120.2151.4-93.6179.9177.5167.6-0.3109.7
200Q34.4Very low43.5Very low176 Ų176137.2 Ų137.282%0.82279%0.789SS**  trans-62.5157176.1-76.4-175.8-37.300112.9
201P42.7Very low45.1Very low127 Ų127138.8 Ų138.883%0.82579%0.786SS**  trans-85.6145.4-174.733.9-32.2000112.5
202S37Very low46.8Very low119 Ų119135.5 Ų135.583%0.83276%0.764SS**  trans-124.8154.6167.1-75.20000110.6
203P46.8Very low48.1Very low116 Ų116131.2 Ų131.275%0.75374%0.737SS**  trans-96.3150-147.6-1.722.7000114.9
204L50.5Low49.5Very low165 Ų165134.9 Ų134.986%0.86473%0.733SS**  trans63.693.2152.4-58.2174.3000118.6
205E55Low51Low170 Ų170132.3 Ų132.379%0.79472%0.722SS**  trans-139.2129.5145.8-82.8-63.1141.900107.9R207E205-R207 PolarHBondContact O-N 3.38Å
206P55.1Low52.2Low122 Ų122135 Ų13579%0.79273%0.73SS**  trans-70.598177.926.6-29.7000109.9
207R58.9Low54Low226 Ų226138.4 Ų138.485%0.85373%0.726SS**PPolyproline II helixtrans-61.9138.6171.5-75.2179.6171.3167-2.3109.9E205 V209E205-R207 PolarHBondContact O-N 3.38Å; R207-V209 PolarHBondContact O-N 3Å
208P59.2Low55.2Low124 Ų124137 Ų13781%0.80571%0.711SS**PPolyproline II helixtrans-59.4126.6171.724.9-31.5000108.5S210P208-S210 PolarHBondContact O-N 3.05Å; P208-S210 VanDerWaalsContact O-N 3.17Å
209V65.4Low56.8Low115 Ų115133.9 Ų133.970%0.69771%0.706SS**PPolyproline II helixtrans-55.3122.1179.61750000108.4R207 A213R207-V209 PolarHBondContact O-N 3Å; V209-A213 HydrophobicContact CG1-CB 3.61Å
210S67.4Low58.4Low67 Ų67127.2 Ų127.247%0.46970%0.695SS.*PPolyproline II helixtrans-53.4136.4-180176.80000110.1P208 S212 A213P208-S210 PolarHBondContact O-N 3.05Å; P208-S210 VanDerWaalsContact O-N 3.17Å; S210-S212 WeakPolarHBondContact CB-OG 3.48Å; S210-S212 PolarHBondContact O-N 3.11Å; S210-S212 PolarHBondContact OG-OG 2.98Å; S210-A213 WeakPolarHBondContact O-CB 3.37Å; S210-A213 PolarHBondContact O-N 2.89Å
211P64.2Low60Low105 Ų105123.8 Ų123.868%0.68269%0.688SS**THydrogen-bonded Turntrans-51.9-24.9176.8-26.933.9000113.5A213 Y214 M215P211-A213 VanDerWaalsContact C-N 3.27Å; P211-A213 PolarHBondContact O-N 2.82Å; P211-Y214 WeakPolarHBondContact O-CB 3.29Å; P211-Y214 PolarHBondContact O-N 2.96Å; P211-Y214 VanDerWaalsContact O-N 3.11Å; P211-M215 PolarHBondContact O-N 3.31Å
212S65.1Low60.9Low70 Ų70123.2 Ų123.249%0.4969%0.694SS.*Hα-helixtrans-57-34.4173.5640000113.8S210 Y214 M215 L216S210-S212 WeakPolarHBondContact CB-OG 3.48Å; S210-S212 PolarHBondContact O-N 3.11Å; S210-S212 PolarHBondContact OG-OG 2.98Å; S212-Y214 VanDerWaalsContact C-N 3.25Å; S212-Y214 PolarHBondContact O-N 3.25Å; S212-M215 PolarHBondContact O-N 3.5Å; S212-L216 PolarHBondContact O-N 3.44Å
213A62.1Low61.9Low31 Ų31120.5 Ų120.526%0.25669%0.685SS.*Hα-helixtrans-74.4-16.5179.400000113.3V209 S210 P211 R217V209-A213 HydrophobicContact CG1-CB 3.61Å; S210-A213 WeakPolarHBondContact O-CB 3.37Å; S210-A213 PolarHBondContact O-N 2.89Å; P211-A213 VanDerWaalsContact C-N 3.27Å; P211-A213 PolarHBondContact O-N 2.82Å; A213-R217 PolarHBondContact O-NE 2.98Å; A213-R217 PolarHBondContact O-NH2 3.47Å; A213-R217 VanDerWaalsContact O-NH2 3.13Å
214Y62Low62.6Low163 Ų163118.2 Ų118.264%0.63968%0.675SS**Hα-helixtrans-83.8-38.6171.3-167.3-95.3000111P211 S212 L216 R217 L218P211-Y214 WeakPolarHBondContact O-CB 3.29Å; P211-Y214 PolarHBondContact O-N 2.96Å; P211-Y214 VanDerWaalsContact O-N 3.11Å; S212-Y214 VanDerWaalsContact C-N 3.25Å; S212-Y214 PolarHBondContact O-N 3.25Å; Y214-L216 PolarHBondContact O-N 3.45Å; Y214-R217 PolarHBondContact O-N 2.91Å; Y214-R217 VanDerWaalsContact O-N 3.08Å; Y214-L218 HydrophobicContact CE1-CD2 4.25Å
215M65.4Low63.1Low130 Ų130119.3 Ų119.364%0.6467%0.669SS**Hα-helixtrans-63.9-25.1177.5-67.4-64.5-67.600113.8P211 S212 R217 L218P211-M215 PolarHBondContact O-N 3.31Å; S212-M215 PolarHBondContact O-N 3.5Å; M215-R217 VanDerWaalsContact C-N 3.28Å; M215-R217 PolarHBondContact O-N 3.22Å; M215-L218 HydrophobicContact CE-CD1 4.41Å; M215-L218 HydrophobicContact SD-CD1 3.85Å
216L62.2Low63.4Low156 Ų156118.1 Ų118.182%0.81767%0.667SS**THydrogen-bonded Turntrans-77.9-9.3175.6-69.1172.2000114.1S212 Y214S212-L216 PolarHBondContact O-N 3.44Å; Y214-L216 PolarHBondContact O-N 3.45Å
217R65.2Low63.3Low185 Ų185117.3 Ų117.370%0.69865%0.653SS**THydrogen-bonded Turntrans-105.2-0.5-179.6-105.2173.4-77.7164.3-4.5113.6A213 Y214 M215A213-R217 PolarHBondContact O-NE 2.98Å; A213-R217 PolarHBondContact O-NH2 3.47Å; A213-R217 VanDerWaalsContact O-NH2 3.13Å; Y214-R217 PolarHBondContact O-N 2.91Å; Y214-R217 VanDerWaalsContact O-N 3.08Å; M215-R217 VanDerWaalsContact C-N 3.28Å; M215-R217 PolarHBondContact O-N 3.22Å
218L69.8Low63.2Low90 Ų90114 Ų11447%0.47165%0.652SS.*SBendtrans-78.1129175.1-65.1174.7000109.1Y214 M215Y214-L218 HydrophobicContact CE1-CD2 4.25Å; M215-L218 HydrophobicContact CE-CD1 4.41Å; M215-L218 HydrophobicContact SD-CD1 3.85Å
219P70.2Confident63.3Low109 Ų109114.2 Ų114.271%0.70864%0.642SS**PPolyproline II helixtrans-53.6142.7170-2029.9000109.5
220P68.5Low62.8Low106 Ų106115.4 Ų115.469%0.68864%0.64SS**PPolyproline II helixtrans-50.5134.2174.3-21.430000109.2A222 A224P220-A222 PolarHBondContact O-N 3.3Å; P220-A224 HydrophobicContact CB-CB 4.12Å
221P68.4Low62.1Low104 Ų104116.4 Ų116.468%0.67565%0.647SS**PPolyproline II helixtrans-55.3137.4-178.619.8-29.5000109.7G223 A224P221-G223 PolarHBondContact O-N 2.9Å; P221-A224 HydrophobicContact CG-CB 4.29Å; P221-A224 WeakPolarHBondContact O-CB 3.4Å; P221-A224 PolarHBondContact O-N 3.21Å
222A59.8Low61.7Low114 Ų114120.2 Ų120.294%0.94265%0.649SS**THydrogen-bonded Turntrans-56.3112.5178.600000109.1P220P220-A222 PolarHBondContact O-N 3.3Å
223G59.4Low61.2Low63 Ų63124.9 Ų124.965%0.64966%0.663SS**THydrogen-bonded Turntrans117.1-8.1-171.500000115.4P221 Y225P221-G223 PolarHBondContact O-N 2.9Å; G223-Y225 PolarHBondContact O-N 3.21Å
224A59.9Low61Low67 Ų67128.8 Ų128.855%0.55468%0.683SS**  trans-70.5-16.1174.800000113.8P220 P221 I226P220-A224 HydrophobicContact CB-CB 4.12Å; P221-A224 HydrophobicContact CG-CB 4.29Å; P221-A224 WeakPolarHBondContact O-CB 3.4Å; P221-A224 PolarHBondContact O-N 3.21Å; A224-I226 VanDerWaalsContact C-N 3.34Å; A224-I226 PolarHBondContact O-N 3.02Å
225Y62.1Low60.9Low188 Ų188122 Ų12274%0.73766%0.663SS**  trans-91.673.6169.8-167-111.5000109.1G223 Q227G223-Y225 PolarHBondContact O-N 3.21Å; Y225-Q227 VanDerWaalsContact C-N 3.33Å; Y225-Q227 HydrophobicContact CD1-CG 3.72Å; Y225-Q227 HydrophobicContact CE1-CB 4.39Å; Y225-Q227 HydrophobicContact CE1-CG 3.11Å; Y225-Q227 PolarHBondContact O-N 3.24Å; Y225-Q227 VanDerWaalsContact O-N 3.12Å
226I61.8Low61.5Low145 Ų145118.8 Ų118.874%0.74465%0.653SS**  trans-72.8101158.4-57.3179.2000104.5A224 N228A224-I226 VanDerWaalsContact C-N 3.34Å; A224-I226 PolarHBondContact O-N 3.02Å; I226-N228 PolarHBondContact O-N 3.37Å
227Q53Low62.5Low105 Ų105115.3 Ų115.349%0.49165%0.647SS.*  trans-50.1121.1165.3-82.2-178.5-70.600106.9Y225 E229Y225-Q227 VanDerWaalsContact C-N 3.33Å; Y225-Q227 HydrophobicContact CD1-CG 3.72Å; Y225-Q227 HydrophobicContact CE1-CB 4.39Å; Y225-Q227 HydrophobicContact CE1-CG 3.11Å; Y225-Q227 PolarHBondContact O-N 3.24Å; Y225-Q227 VanDerWaalsContact O-N 3.12Å; Q227-E229 HydrophobicContact CB-CG 4.36Å; Q227-E229 PolarHBondContact O-N 3.48Å
228N57Low63.5Low158 Ų158112.7 Ų112.785%0.84565%0.647SS**  trans-72.942178.7-147.533000110.6I226I226-N228 PolarHBondContact O-N 3.37Å
229E60.2Low64.3Low127 Ų127113 Ų11359%0.59365%0.648SS**  trans-100.4132.8172.7-63-171.7-173.800105.4Q227Q227-E229 HydrophobicContact CB-CG 4.36Å; Q227-E229 PolarHBondContact O-N 3.48Å
230H55Low65.1Low140 Ų140114.7 Ų114.765%0.64864%0.64SS**  trans76.751.2-169-31.389.5000114.5Y232H230-Y232 HydrophobicContact CB-CD2 3.74Å; H230-Y232 HydrophobicContact CB-CE2 3.52Å; H230-Y232 PolarHBondContact O-N 2.92Å
231S53Low66.3Low88 Ų88115.7 Ų115.762%0.61563%0.634SS**  trans-60.787135-171.70000106.4Q233S231-Q233 PolarHBondContact O-N 3.33Å
232Y55.6Low67.5Low185 Ų185119.2 Ų119.273%0.72563%0.634SS**  trans-61.878.7152.7-67-84.9000105.2H230 V234H230-Y232 HydrophobicContact CB-CD2 3.74Å; H230-Y232 HydrophobicContact CB-CE2 3.52Å; H230-Y232 PolarHBondContact O-N 2.92Å; Y232-V234 PolarHBondContact O-N 3.36Å
233Q55.1Low69.2Low168 Ų168121.7 Ų121.779%0.78562%0.619SS**  trans-62.171.4143.8-83.4167.6-9.700105.5S231 G235S231-Q233 PolarHBondContact O-N 3.33Å; Q233-G235 PolarHBondContact O-N 3.18Å
234V56.9Low70.9Confident113 Ų113121.2 Ų121.269%0.68561%0.609SS**  trans-47.694.3136.8179.20000102.4Y232 S236Y232-V234 PolarHBondContact O-N 3.36Å; V234-S236 PolarHBondContact O-N 3.27Å
235G61.5Low72.7Confident21 Ų21122.5 Ų122.522%0.21660%0.603CS.*  trans-46.3124.4179.200000105.5Q233 A237 W240Q233-G235 PolarHBondContact O-N 3.18Å; G235-A237 PolarHBondContact O-N 2.95Å; G235-W240 PolarHBondContact O-NE1 3.04Å
236S76.6Confident74.4Confident62 Ų62116.2 Ų116.243%0.43459%0.59SS.*  trans-45.2139.6-169.263.40000109.7V234 L238 L239 W240V234-S236 PolarHBondContact O-N 3.27Å; S236-L238 CarbonylContact O-C 3.33Å; S236-L238 PolarHBondContact O-N 2.94Å; S236-L239 WeakPolarHBondContact O-CA 3.39Å; S236-L239 WeakPolarHBondContact O-CB 3.38Å; S236-L239 PolarHBondContact O-N 3.04Å; S236-L239 WeakPolarHBondContact OG-CG 3.34Å; S236-W240 PolarHBondContact O-N 2.61Å
237A83.3Confident76.2Confident83 Ų83112.1 Ų112.169%0.68658%0.578SS**Hα-helixtrans-49-28.7-176.700000112.7G235 W240 K241G235-A237 PolarHBondContact O-N 2.95Å; A237-W240 PolarHBondContact O-N 2.98Å; A237-K241 WeakPolarHBondContact O-CB 3.31Å; A237-K241 PolarHBondContact O-N 3.22Å
238L86.5Confident78.3Confident131 Ų131112.5 Ų112.569%0.68658%0.583SS**Hα-helixtrans-63.7-39.5172.2-60178.8000114.7S236 K241 R242S236-L238 CarbonylContact O-C 3.33Å; S236-L238 PolarHBondContact O-N 2.94Å; L238-K241 PolarHBondContact O-N 2.65Å; L238-R242 WeakPolarHBondContact O-CB 3.22Å; L238-R242 PolarHBondContact O-N 2.87Å
239L86.3Confident80.3Confident95 Ų95109.3 Ų109.350%0.49757%0.566SS.*Hα-helixtrans-66.2-41.3174.7-73.4170.8000111.4S236 R242 R243S236-L239 WeakPolarHBondContact O-CA 3.39Å; S236-L239 WeakPolarHBondContact O-CB 3.38Å; S236-L239 PolarHBondContact O-N 3.04Å; S236-L239 WeakPolarHBondContact OG-CG 3.34Å; L239-R242 PolarHBondContact O-N 3.3Å; L239-R243 WeakPolarHBondContact O-CB 3.28Å; L239-R243 PolarHBondContact O-N 2.86Å
240W87.4Confident82.1Confident146 Ų146105.8 Ų105.855%0.55356%0.559SS**Hα-helixtrans-64.9-42.9174.5-74.1110.4000112G235 S236 A237 R243 A244G235-W240 PolarHBondContact O-NE1 3.04Å; S236-W240 PolarHBondContact O-N 2.61Å; A237-W240 PolarHBondContact O-N 2.98Å; W240-R243 PolarHBondContact O-N 3.01Å; W240-A244 WeakPolarHBondContact O-CB 3.41Å; W240-A244 PolarHBondContact O-N 2.94Å
241K93.3Very high84.2Confident127 Ų127103.7 Ų103.755%0.55255%0.552SS**Hα-helixtrans-57.2-50.7172.8178.9176.5172.7177.10111.6A237 L238 R243 A244 E245A237-K241 WeakPolarHBondContact O-CB 3.31Å; A237-K241 PolarHBondContact O-N 3.22Å; L238-K241 PolarHBondContact O-N 2.65Å; K241-R243 VanDerWaalsContact C-N 3.29Å; K241-R243 PolarHBondContact O-N 3.04Å; K241-A244 WeakPolarHBondContact O-CB 3.48Å; K241-A244 PolarHBondContact O-N 2.96Å; K241-A244 VanDerWaalsContact O-N 3.14Å; K241-E245 WeakPolarHBondContact CE-OE1 3.49Å; K241-E245 HydrophobicContact CG-CG 4.47Å; K241-E245 IonicContact NZ-OE1 3.94Å; K241-E245 WeakPolarHBondContact O-CG 3.36Å; K241-E245 PolarHBondContact O-N 3.46Å
242R93.8Very high86.4Confident178 Ų178102.3 Ų102.367%0.67254%0.538SS*.Hα-helixtrans-60.4-39.3178.4-174.5-177.5-68.2170.9-0.9111.9L238 L239 A246L238-R242 WeakPolarHBondContact O-CB 3.22Å; L238-R242 PolarHBondContact O-N 2.87Å; L239-R242 PolarHBondContact O-N 3.3Å; R242-A246 VanDerWaalsContact O-CB 3.28Å; R242-A246 WeakPolarHBondContact O-CB 3.45Å; R242-A246 PolarHBondContact O-N 2.83Å
243R95.5Very high88.4Confident165 Ų16599.5 Ų99.562%0.62353%0.529SS*.Hα-helixtrans-66.2-40.9176.7-176.2177.3-77.8155.5-6.2111.4L239 W240 K241 A246 A247L239-R243 WeakPolarHBondContact O-CB 3.28Å; L239-R243 PolarHBondContact O-N 2.86Å; W240-R243 PolarHBondContact O-N 3.01Å; K241-R243 VanDerWaalsContact C-N 3.29Å; K241-R243 PolarHBondContact O-N 3.04Å; R243-A246 PolarHBondContact O-N 2.69Å; R243-A247 WeakPolarHBondContact O-CB 3.22Å; R243-A247 PolarHBondContact O-N 3Å
244A96.4Very high90.5Very high54 Ų5494 Ų9445%0.44651%0.512SS..Hα-helixtrans-64.2-47.4175.600000111.5W240 K241 A246 A247 L248W240-A244 WeakPolarHBondContact O-CB 3.41Å; W240-A244 PolarHBondContact O-N 2.94Å; K241-A244 WeakPolarHBondContact O-CB 3.48Å; K241-A244 PolarHBondContact O-N 2.96Å; K241-A244 VanDerWaalsContact O-N 3.14Å; A244-A246 VanDerWaalsContact C-N 3.34Å; A244-A246 PolarHBondContact O-N 3.45Å; A244-A247 WeakPolarHBondContact O-CB 3.28Å; A244-A247 PolarHBondContact O-N 3.26Å; A244-A247 VanDerWaalsContact O-N 3.11Å; A244-L248 WeakPolarHBondContact O-CG 3.2Å; A244-L248 PolarHBondContact O-N 2.8Å
245E97.4Very high92.5Very high94 Ų9493.6 Ų93.644%0.43950%0.503SS..Hα-helixtrans-58.8-44.8175.2-71.3170.1171.900111.6K241 A247 L248 D249K241-E245 WeakPolarHBondContact CE-OE1 3.49Å; K241-E245 HydrophobicContact CG-CG 4.47Å; K241-E245 IonicContact NZ-OE1 3.94Å; K241-E245 WeakPolarHBondContact O-CG 3.36Å; K241-E245 PolarHBondContact O-N 3.46Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.42Å; E245-L248 PolarHBondContact O-N 3.16Å; E245-D249 PolarHBondContact O-N 2.86Å
246A97.6Very high94.2Very high55 Ų55100.4 Ų100.446%0.45552%0.522SS..Hα-helixtrans-62.9-34.6175.900000112.8R242 R243 A244 A250R242-A246 VanDerWaalsContact O-CB 3.28Å; R242-A246 WeakPolarHBondContact O-CB 3.45Å; R242-A246 PolarHBondContact O-N 2.83Å; R243-A246 PolarHBondContact O-N 2.69Å; A244-A246 VanDerWaalsContact C-N 3.34Å; A244-A246 PolarHBondContact O-N 3.45Å; A246-A250 WeakPolarHBondContact O-CB 3.34Å; A246-A250 PolarHBondContact O-N 3.12Å
247A98.2Very high95.3Very high60 Ų60102.8 Ų102.850%0.49653%0.526SS..Hα-helixtrans-68.7-40.9175.100000111.7R243 A244 E245 A250 L251R243-A247 WeakPolarHBondContact O-CB 3.22Å; R243-A247 PolarHBondContact O-N 3Å; A244-A247 WeakPolarHBondContact O-CB 3.28Å; A244-A247 PolarHBondContact O-N 3.26Å; A244-A247 VanDerWaalsContact O-N 3.11Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.42Å; A247-A250 WeakPolarHBondContact O-CB 3.27Å; A247-A250 PolarHBondContact O-N 3.44Å; A247-L251 PolarHBondContact O-N 3.1Å
248L98.4Very high96Very high112 Ų112103.3 Ų103.359%0.58652%0.517SS*.Hα-helixtrans-62.3-46.2173.7-66.7175000111.2A244 E245 A250 L251 D252A244-L248 WeakPolarHBondContact O-CG 3.2Å; A244-L248 PolarHBondContact O-N 2.8Å; E245-L248 PolarHBondContact O-N 3.16Å; L248-A250 VanDerWaalsContact C-N 3.26Å; L248-A250 PolarHBondContact O-N 2.98Å; L248-L251 WeakPolarHBondContact O-CB 3.34Å; L248-L251 PolarHBondContact O-N 2.9Å; L248-L251 VanDerWaalsContact O-N 3.14Å; L248-D252 PolarHBondContact O-N 3.14Å
249D98.4Very high96.6Very high91 Ų91101.6 Ų101.649%0.48751%0.506SS..Hα-helixtrans-58.9-38.2174.3-85.3-8.7000112.6E245 K253E245-D249 PolarHBondContact O-N 2.86Å; D249-K253 WeakPolarHBondContact O-CB 3.37Å; D249-K253 WeakPolarHBondContact O-CD 3.49Å; D249-K253 VanDerWaalsContact O-CG 3.23Å; D249-K253 WeakPolarHBondContact O-CG 3.37Å; D249-K253 PolarHBondContact O-N 3.47Å
250A98.4Very high97.1Very high54 Ų5499.1 Ų99.145%0.44650%0.499SS..Hα-helixtrans-67.3-41.8176.800000111.4A246 A247 L248 K253 A254A246-A250 WeakPolarHBondContact O-CB 3.34Å; A246-A250 PolarHBondContact O-N 3.12Å; A247-A250 WeakPolarHBondContact O-CB 3.27Å; A247-A250 PolarHBondContact O-N 3.44Å; L248-A250 VanDerWaalsContact C-N 3.26Å; L248-A250 PolarHBondContact O-N 2.98Å; A250-K253 PolarHBondContact O-N 2.91Å; A250-A254 WeakPolarHBondContact O-CB 3.11Å; A250-A254 PolarHBondContact O-N 3.36Å
251L98.7Very high97.7Very high95 Ų9596 Ų9650%0.49750%0.498SS..Hα-helixtrans-60.7-47.4174.4-174.8114.6000110.9A247 L248 K253 A254 Q255A247-L251 PolarHBondContact O-N 3.1Å; L248-L251 WeakPolarHBondContact O-CB 3.34Å; L248-L251 PolarHBondContact O-N 2.9Å; L248-L251 VanDerWaalsContact O-N 3.14Å; L251-K253 VanDerWaalsContact C-N 3.33Å; L251-K253 PolarHBondContact O-N 3.43Å; L251-A254 CarbonylContact O-C 3.55Å; L251-A254 WeakPolarHBondContact O-CB 3.47Å; L251-A254 PolarHBondContact O-N 2.98Å; L251-A254 VanDerWaalsContact O-N 3.12Å; L251-Q255 WeakPolarHBondContact O-CG 3.03Å; L251-Q255 PolarHBondContact O-N 2.92Å
252D98.6Very high97.9Very high60 Ų6095 Ų9532%0.32149%0.494SS..Hα-helixtrans-57.6-43.8176-10225.2000112.7L248 Q255 R256L248-D252 PolarHBondContact O-N 3.14Å; D252-Q255 PolarHBondContact O-N 3.2Å; D252-R256 VanDerWaalsContact O-CG 3.28Å; D252-R256 WeakPolarHBondContact O-CG 3.43Å; D252-R256 PolarHBondContact O-N 3.21Å; D252-R256 PolarHBondContact O-NE 3.35Å; D252-R256 IonicContact OD2-CZ 3.24Å; D252-R256 IonicContact OD2-NH2 2.84Å; D252-R256 PolarHBondContact OD2-NH2 3.03Å
253K98.2Very high98.2Very high126 Ų12692.9 Ų92.955%0.54849%0.486SS..Hα-helixtrans-63.5-43.9175.2-74.9163.7-172.9156.80110.9D249 A250 L251 R256 Q257D249-K253 WeakPolarHBondContact O-CB 3.37Å; D249-K253 WeakPolarHBondContact O-CD 3.49Å; D249-K253 VanDerWaalsContact O-CG 3.23Å; D249-K253 WeakPolarHBondContact O-CG 3.37Å; D249-K253 PolarHBondContact O-N 3.47Å; A250-K253 PolarHBondContact O-N 2.91Å; L251-K253 VanDerWaalsContact C-N 3.33Å; L251-K253 PolarHBondContact O-N 3.43Å; K253-R256 PolarHBondContact O-N 3.29Å; K253-Q257 VanDerWaalsContact O-CG 3.31Å; K253-Q257 WeakPolarHBondContact O-CG 3.42Å; K253-Q257 PolarHBondContact O-N 2.8Å
254A98.4Very high98.3Very high52 Ų5292.8 Ų92.843%0.4349%0.485SS..Hα-helixtrans-63.2-42.8177.600000111.6A250 L251 R256 Q257 L258A250-A254 WeakPolarHBondContact O-CB 3.11Å; A250-A254 PolarHBondContact O-N 3.36Å; L251-A254 CarbonylContact O-C 3.55Å; L251-A254 WeakPolarHBondContact O-CB 3.47Å; L251-A254 PolarHBondContact O-N 2.98Å; L251-A254 VanDerWaalsContact O-N 3.12Å; A254-R256 PolarHBondContact O-N 3.04Å; A254-Q257 PolarHBondContact O-N 3.39Å; A254-L258 WeakPolarHBondContact O-CB 3.49Å; A254-L258 PolarHBondContact O-N 3.38Å
255Q98.7Very high98.4Very high104 Ų10494.4 Ų94.449%0.48648%0.484SS..Hα-helixtrans-60.9-46.1175.4-73.5-178.8-4.700111.8L251 D252 Q257 L258 Q259L251-Q255 WeakPolarHBondContact O-CG 3.03Å; L251-Q255 PolarHBondContact O-N 2.92Å; D252-Q255 PolarHBondContact O-N 3.2Å; Q255-Q257 VanDerWaalsContact C-N 3.31Å; Q255-Q257 PolarHBondContact O-N 3.4Å; Q255-L258 PolarHBondContact O-N 3.15Å; Q255-Q259 WeakPolarHBondContact O-CG 3.12Å; Q255-Q259 PolarHBondContact O-N 3.49Å
256R98.6Very high98.5Very high164 Ų16495.9 Ų95.962%0.61949%0.491SS*.Hα-helixtrans-60.9-40.2176.3-70.1171.8-135.5-116.43.7111.9D252 K253 A254 Q259 A260D252-R256 VanDerWaalsContact O-CG 3.28Å; D252-R256 WeakPolarHBondContact O-CG 3.43Å; D252-R256 PolarHBondContact O-N 3.21Å; D252-R256 PolarHBondContact O-NE 3.35Å; D252-R256 IonicContact OD2-CZ 3.24Å; D252-R256 IonicContact OD2-NH2 2.84Å; D252-R256 PolarHBondContact OD2-NH2 3.03Å; K253-R256 PolarHBondContact O-N 3.29Å; A254-R256 PolarHBondContact O-N 3.04Å; R256-Q259 PolarHBondContact O-N 3.22Å; R256-A260 WeakPolarHBondContact O-CB 3.41Å; R256-A260 PolarHBondContact O-N 3.29Å
257Q98.4Very high98.5Very high113 Ų113100.4 Ų100.453%0.52850%0.496SS..Hα-helixtrans-64.9-44.7175.2-73.4176.45.600111.8K253 A254 Q255 Q259 A260 C261K253-Q257 VanDerWaalsContact O-CG 3.31Å; K253-Q257 WeakPolarHBondContact O-CG 3.42Å; K253-Q257 PolarHBondContact O-N 2.8Å; A254-Q257 PolarHBondContact O-N 3.39Å; Q255-Q257 VanDerWaalsContact C-N 3.31Å; Q255-Q257 PolarHBondContact O-N 3.4Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 3.49Å; Q257-A260 WeakPolarHBondContact O-CB 3.34Å; Q257-A260 PolarHBondContact O-N 2.97Å; Q257-A260 VanDerWaalsContact O-N 3.16Å; Q257-C261 PolarHBondContact O-N 3.19Å; Q257-C261 PolarHBondContact O-SG 2.85Å
258L98.7Very high98.5Very high94 Ų94102 Ų10249%0.49250%0.496SS..Hα-helixtrans-58.5-46176.2179.262.5000111.1A254 Q255 A260 C261 K262A254-L258 WeakPolarHBondContact O-CB 3.49Å; A254-L258 PolarHBondContact O-N 3.38Å; Q255-L258 PolarHBondContact O-N 3.15Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 3.33Å; L258-C261 WeakPolarHBondContact O-CB 3.29Å; L258-C261 PolarHBondContact O-N 2.84Å; L258-K262 WeakPolarHBondContact O-CG 3.15Å; L258-K262 PolarHBondContact O-N 3.27Å
259Q98.6Very high98.5Very high95 Ų95104.1 Ų104.144%0.44450%0.496SS..Hα-helixtrans-63.2-39.6176.7-67-62.7-14.500112.1Q255 R256 Q257 K262 R263Q255-Q259 WeakPolarHBondContact O-CG 3.12Å; Q255-Q259 PolarHBondContact O-N 3.49Å; R256-Q259 PolarHBondContact O-N 3.22Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-Q259 PolarHBondContact O-N 3.49Å; Q259-K262 PolarHBondContact O-N 3.29Å; Q259-R263 WeakPolarHBondContact O-CG 3.39Å; Q259-R263 PolarHBondContact O-N 3.01Å
260A98.3Very high98.6Very high43 Ų43105 Ų10536%0.35550%0.5SS..Hα-helixtrans-63.6-40.2174.200000112.4R256 Q257 L258 R264R256-A260 WeakPolarHBondContact O-CB 3.41Å; R256-A260 PolarHBondContact O-N 3.29Å; Q257-A260 WeakPolarHBondContact O-CB 3.34Å; Q257-A260 PolarHBondContact O-N 2.97Å; Q257-A260 VanDerWaalsContact O-N 3.16Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 3.33Å; A260-R264 WeakPolarHBondContact O-CB 3.44Å; A260-R264 PolarHBondContact O-N 3.33Å
261C98.6Very high98.6Very high80 Ų80108.3 Ų108.354%0.54150%0.501SS..Hα-helixtrans-63-48.1174.1-74.30000111.6Q257 L258 R263 R264 E265Q257-C261 PolarHBondContact O-N 3.19Å; Q257-C261 PolarHBondContact O-SG 2.85Å; L258-C261 WeakPolarHBondContact O-CB 3.29Å; L258-C261 PolarHBondContact O-N 2.84Å; C261-R263 PolarHBondContact O-N 2.95Å; C261-R264 WeakPolarHBondContact O-CB 3.49Å; C261-R264 PolarHBondContact O-N 2.73Å; C261-R264 VanDerWaalsContact O-N 3.09Å; C261-E265 PolarHBondContact O-N 3.35Å
262K98.6Very high98.6Very high107 Ų107108.8 Ų108.847%0.46550%0.504SS..Hα-helixtrans-57.3-45.9175.9-73.8-177.7175.9-175.50112.1L258 Q259 R264 E265 Q266L258-K262 WeakPolarHBondContact O-CG 3.15Å; L258-K262 PolarHBondContact O-N 3.27Å; Q259-K262 PolarHBondContact O-N 3.29Å; K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.04Å; K262-E265 PolarHBondContact O-N 3.19Å; K262-Q266 PolarHBondContact O-N 3.18Å
263R98.6Very high98.6Very high132 Ų132109.7 Ų109.750%0.49851%0.511SS..Hα-helixtrans-61-40.4175.2-71.6-171.7-61.9-96.53.6112.2Q259 C261 R267Q259-R263 WeakPolarHBondContact O-CG 3.39Å; Q259-R263 PolarHBondContact O-N 3.01Å; C261-R263 PolarHBondContact O-N 2.95Å; R263-R267 WeakPolarHBondContact O-CG 3.46Å; R263-R267 PolarHBondContact O-N 2.81Å; R263-R267 PolarHBondContact O-NH1 2.93Å
264R98.4Very high98.6Very high163 Ų163109 Ų10962%0.61551%0.509SS*.Hα-helixtrans-64.6-45.5176.6179.2-179177.4-172.5-2.5111A260 C261 K262 R267 L268A260-R264 WeakPolarHBondContact O-CB 3.44Å; A260-R264 PolarHBondContact O-N 3.33Å; C261-R264 WeakPolarHBondContact O-CB 3.49Å; C261-R264 PolarHBondContact O-N 2.73Å; C261-R264 VanDerWaalsContact O-N 3.09Å; K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.04Å; R264-R267 PolarHBondContact O-N 3.41Å; R264-L268 HydrophobicContact CG-CD1 4.19Å; R264-L268 WeakPolarHBondContact O-CG 3.48Å; R264-L268 PolarHBondContact O-N 2.93Å
265E98.6Very high98.6Very high88 Ų88110.1 Ų110.141%0.41151%0.507SS..Hα-helixtrans-59.1-47.2177.7-175.1-175.1178.800111.3C261 K262 R267 L268 R269C261-E265 PolarHBondContact O-N 3.35Å; K262-E265 PolarHBondContact O-N 3.19Å; E265-R267 VanDerWaalsContact C-N 3.32Å; E265-R267 PolarHBondContact O-N 3.4Å; E265-L268 CarbonylContact O-C 3.52Å; E265-L268 WeakPolarHBondContact O-CB 3.42Å; E265-L268 PolarHBondContact O-N 3.36Å; E265-R269 HydrophobicContact CG-CG 4.36Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 3.43Å; E265-R269 IonicContact OE1-CZ 3.92Å; E265-R269 IonicContact OE1-NE 2.8Å; E265-R269 PolarHBondContact OE1-NE 2.99Å; E265-R269 IonicContact OE1-NH2 3.84Å; E265-R269 PolarHBondContact OE1-NH2 3.16Å
266Q98.7Very high98.6Very high125 Ų125111.5 Ų111.558%0.58451%0.513SS*.Hα-helixtrans-56.8-45.1176.8-172.4-1797.400111.9K262 L268 R269 L270K262-Q266 PolarHBondContact O-N 3.18Å; Q266-L268 VanDerWaalsContact C-N 3.31Å; Q266-L268 PolarHBondContact O-N 3.25Å; Q266-R269 PolarHBondContact O-N 2.86Å; Q266-L270 WeakPolarHBondContact O-CG 3.37Å; Q266-L270 PolarHBondContact O-N 3Å
267R98.6Very high98.6Very high151 Ų151108.7 Ų108.757%0.5751%0.507SS*.Hα-helixtrans-60.7-40.5175-70.8-168.7-57.2-83.55112.4R263 R264 E265 R271R263-R267 WeakPolarHBondContact O-CG 3.46Å; R263-R267 PolarHBondContact O-N 2.81Å; R263-R267 PolarHBondContact O-NH1 2.93Å; R264-R267 PolarHBondContact O-N 3.41Å; E265-R267 VanDerWaalsContact C-N 3.32Å; E265-R267 PolarHBondContact O-N 3.4Å; R267-R271 PolarHBondContact O-N 2.78Å
268L98.6Very high98.6Very high93 Ų93107 Ų10749%0.48750%0.499SS..Hα-helixtrans-68-42.6178-68.9174.6000111.6R264 E265 Q266 L270 R271 L272R264-L268 HydrophobicContact CG-CD1 4.19Å; R264-L268 WeakPolarHBondContact O-CG 3.48Å; R264-L268 PolarHBondContact O-N 2.93Å; E265-L268 CarbonylContact O-C 3.52Å; E265-L268 WeakPolarHBondContact O-CB 3.42Å; E265-L268 PolarHBondContact O-N 3.36Å; Q266-L268 VanDerWaalsContact C-N 3.31Å; Q266-L268 PolarHBondContact O-N 3.25Å; L268-L270 VanDerWaalsContact C-N 3.35Å; L268-L270 PolarHBondContact O-N 3.43Å; L268-R271 PolarHBondContact O-N 2.63Å; L268-R271 VanDerWaalsContact O-N 3.16Å; L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 3.02Å
269R98.6Very high98.6Very high157 Ų157110.4 Ų110.459%0.59251%0.505SS*.Hα-helixtrans-57.4-47.3174.7-72-179.3-178.9-165.2-1.7111E265 Q266 R271 L272 T273E265-R269 HydrophobicContact CG-CG 4.36Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 3.43Å; E265-R269 IonicContact OE1-CZ 3.92Å; E265-R269 IonicContact OE1-NE 2.8Å; E265-R269 PolarHBondContact OE1-NE 2.99Å; E265-R269 IonicContact OE1-NH2 3.84Å; E265-R269 PolarHBondContact OE1-NH2 3.16Å; Q266-R269 PolarHBondContact O-N 2.86Å; R269-R271 VanDerWaalsContact C-N 3.34Å; R269-R271 PolarHBondContact O-N 3.21Å; R269-L272 PolarHBondContact O-N 2.87Å; R269-T273 WeakPolarHBondContact O-CG2 3.43Å; R269-T273 PolarHBondContact O-N 3.41Å; R269-T273 PolarHBondContact O-OG1 3.43Å
270L98.7Very high98.6Very high109 Ų109107.4 Ų107.457%0.57150%0.497SS*.Hα-helixtrans-63.4-37175.7-68.4173.1000113Q266 L268 T273 K274Q266-L270 WeakPolarHBondContact O-CG 3.37Å; Q266-L270 PolarHBondContact O-N 3Å; L268-L270 VanDerWaalsContact C-N 3.35Å; L268-L270 PolarHBondContact O-N 3.43Å; L270-T273 WeakPolarHBondContact CA-OG1 3.24Å; L270-T273 PolarHBondContact O-OG1 3.09Å; L270-K274 WeakPolarHBondContact O-CB 3.31Å; L270-K274 PolarHBondContact O-N 2.98Å; L270-K274 VanDerWaalsContact O-N 3.12Å
271R98.6Very high98.6Very high123 Ų123112.4 Ų112.446%0.46451%0.507SS..Hα-helixtrans-68.4-39.1176-174.855.5173.8151.6-1.7111.5R267 L268 R269 K274 L275 E278R267-R271 PolarHBondContact O-N 2.78Å; L268-R271 PolarHBondContact O-N 2.63Å; L268-R271 VanDerWaalsContact O-N 3.16Å; R269-R271 VanDerWaalsContact C-N 3.34Å; R269-R271 PolarHBondContact O-N 3.21Å; R271-K274 PolarHBondContact O-N 3.42Å; R271-L275 HydrophobicContact CG-CD1 4.14Å; R271-L275 WeakPolarHBondContact O-CB 3.48Å; R271-L275 VanDerWaalsContact O-CG 3.29Å; R271-L275 WeakPolarHBondContact O-CG 3.47Å; R271-L275 PolarHBondContact O-N 3.18Å; R271-E278 IonicContact NH1-OE1 3.12Å; R271-E278 IonicContact NH1-OE2 2.63Å
272L98.8Very high98.6Very high106 Ų106114.2 Ų114.256%0.55551%0.507SS*.Hα-helixtrans-63.7-45.5176.7-75.4171.2000111.5L268 R269 K274 L275 Q276L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 3.02Å; R269-L272 PolarHBondContact O-N 2.87Å; L272-K274 VanDerWaalsContact C-N 3.34Å; L272-K274 PolarHBondContact O-N 2.97Å; L272-L275 PolarHBondContact O-N 3.25Å; L272-Q276 WeakPolarHBondContact O-CG 3.01Å; L272-Q276 PolarHBondContact O-N 2.85Å
273T98.7Very high98.5Very high79 Ų79115.1 Ų115.149%0.48551%0.511SS..Hα-helixtrans-62.4-41.717755.70000111.7R269 L270 L275 Q276 Q277R269-T273 WeakPolarHBondContact O-CG2 3.43Å; R269-T273 PolarHBondContact O-N 3.41Å; R269-T273 PolarHBondContact O-OG1 3.43Å; L270-T273 WeakPolarHBondContact CA-OG1 3.24Å; L270-T273 PolarHBondContact O-OG1 3.09Å; T273-L275 PolarHBondContact O-N 3.5Å; T273-Q276 PolarHBondContact O-N 3.12Å; T273-Q277 PolarHBondContact O-N 3.45Å
274K98.6Very high98.5Very high112 Ų112116 Ų11649%0.48751%0.514SS..Hα-helixtrans-60.7-45.6174.3-176.8170.8177.6175.30112.2L270 R271 L272 Q276 Q277 E278L270-K274 WeakPolarHBondContact O-CB 3.31Å; L270-K274 PolarHBondContact O-N 2.98Å; L270-K274 VanDerWaalsContact O-N 3.12Å; R271-K274 PolarHBondContact O-N 3.42Å; L272-K274 VanDerWaalsContact C-N 3.34Å; L272-K274 PolarHBondContact O-N 2.97Å; K274-Q276 VanDerWaalsContact C-N 3.33Å; K274-Q276 PolarHBondContact O-N 2.91Å; K274-Q277 PolarHBondContact O-N 3.23Å; K274-E278 WeakPolarHBondContact CE-OE1 3.44Å; K274-E278 WeakPolarHBondContact O-CG 3.46Å; K274-E278 PolarHBondContact O-N 3Å
275L98.6Very high98.5Very high75 Ų75111 Ų11139%0.39351%0.508SS..Hα-helixtrans-63.8-37.9177.4-73.9169.6000112.3R271 L272 T273 Q277 E278 R279R271-L275 HydrophobicContact CG-CD1 4.14Å; R271-L275 WeakPolarHBondContact O-CB 3.48Å; R271-L275 VanDerWaalsContact O-CG 3.29Å; R271-L275 WeakPolarHBondContact O-CG 3.47Å; R271-L275 PolarHBondContact O-N 3.18Å; L272-L275 PolarHBondContact O-N 3.25Å; T273-L275 PolarHBondContact O-N 3.5Å; L275-Q277 VanDerWaalsContact C-N 3.35Å; L275-E278 PolarHBondContact O-N 3.39Å; L275-R279 WeakPolarHBondContact O-CB 3.4Å; L275-R279 PolarHBondContact O-N 2.94Å
276Q98.5Very high98.5Very high133 Ų133111.2 Ų111.262%0.62151%0.509SS*.Hα-helixtrans-63.5-41.6174.2-74.4173.3-20.200111.4L272 T273 K274 R279 A280L272-Q276 WeakPolarHBondContact O-CG 3.01Å; L272-Q276 PolarHBondContact O-N 2.85Å; T273-Q276 PolarHBondContact O-N 3.12Å; K274-Q276 VanDerWaalsContact C-N 3.33Å; K274-Q276 PolarHBondContact O-N 2.91Å; Q276-R279 PolarHBondContact O-N 3.2Å; Q276-A280 WeakPolarHBondContact O-CB 3.35Å; Q276-A280 PolarHBondContact O-N 3.14Å
277Q98.6Very high98.5Very high105 Ų105107.8 Ų107.849%0.49150%0.502SS..Hα-helixtrans-65.3-44.4176-168-177.529.200111.9T273 K274 L275 A280 R281T273-Q277 PolarHBondContact O-N 3.45Å; K274-Q277 PolarHBondContact O-N 3.23Å; L275-Q277 VanDerWaalsContact C-N 3.35Å; Q277-A280 PolarHBondContact O-N 3.34Å; Q277-R281 WeakPolarHBondContact O-CG 2.94Å; Q277-R281 PolarHBondContact O-N 3.46Å
278E98.4Very high98.4Very high76 Ų76105.3 Ų105.336%0.35550%0.5SS..Hα-helixtrans-57.6-49.2174.9-74.1168.7-175.400110.7R271 K274 L275 A280 R281 E282R271-E278 IonicContact NH1-OE1 3.12Å; R271-E278 IonicContact NH1-OE2 2.63Å; K274-E278 WeakPolarHBondContact CE-OE1 3.44Å; K274-E278 WeakPolarHBondContact O-CG 3.46Å; K274-E278 PolarHBondContact O-N 3Å; L275-E278 PolarHBondContact O-N 3.39Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.39Å; E278-R281 WeakPolarHBondContact O-CB 3.47Å; E278-R281 PolarHBondContact O-N 3.01Å; E278-R281 VanDerWaalsContact O-N 3.13Å; E278-E282 PolarHBondContact O-N 3.48Å
279R98.5Very high98.4Very high166 Ų166103.2 Ų103.263%0.62650%0.496SS*.Hα-helixtrans-61.1-37.8176.7-171.1178.5-174.2-1771.6112.6L275 Q276 K283L275-R279 WeakPolarHBondContact O-CB 3.4Å; L275-R279 PolarHBondContact O-N 2.94Å; Q276-R279 PolarHBondContact O-N 3.2Å; R279-K283 WeakPolarHBondContact O-CG 3.23Å; R279-K283 PolarHBondContact O-N 2.92Å
280A98.3Very high98.4Very high33 Ų33104 Ų10427%0.27350%0.499SS..Hα-helixtrans-68.3-37.1176.400000111.9Q276 Q277 E278 R284Q276-A280 WeakPolarHBondContact O-CB 3.35Å; Q276-A280 PolarHBondContact O-N 3.14Å; Q277-A280 PolarHBondContact O-N 3.34Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.39Å; A280-R284 WeakPolarHBondContact O-CG 3.46Å; A280-R284 PolarHBondContact O-N 2.9Å; A280-R284 VanDerWaalsContact O-N 3.17Å; A280-R284 PolarHBondContact O-NH1 2.81Å
281R98.3Very high98.3Very high147 Ų147104.3 Ų104.356%0.55550%0.498SS*.Hα-helixtrans-65.4-45174-71.1175-175.9-177.42.2111.3Q277 E278 K283 R284 A285Q277-R281 WeakPolarHBondContact O-CG 2.94Å; Q277-R281 PolarHBondContact O-N 3.46Å; E278-R281 WeakPolarHBondContact O-CB 3.47Å; E278-R281 PolarHBondContact O-N 3.01Å; E278-R281 VanDerWaalsContact O-N 3.13Å; R281-K283 VanDerWaalsContact C-N 3.35Å; R281-K283 PolarHBondContact O-N 3Å; R281-R284 PolarHBondContact O-N 2.8Å; R281-R284 VanDerWaalsContact O-N 3.17Å; R281-A285 PolarHBondContact O-N 2.97Å
282E98.3Very high98.3Very high118 Ų118101.5 Ų101.555%0.55149%0.494SS*.Hα-helixtrans-60.5-43.6177.1-172.4-179.5-171.100111.8E278 R284 A285 Q286E278-E282 PolarHBondContact O-N 3.48Å; E282-R284 VanDerWaalsContact C-N 3.31Å; E282-R284 PolarHBondContact O-N 3.38Å; E282-A285 PolarHBondContact O-N 3.31Å; E282-Q286 WeakPolarHBondContact O-CB 3.34Å; E282-Q286 WeakPolarHBondContact O-CG 3.43Å; E282-Q286 PolarHBondContact O-N 3.11Å
283K98.4Very high98.3Very high126 Ų126101.7 Ų101.755%0.54850%0.495SS..Hα-helixtrans-59.3-40.2174.5-78.6-176.3175.9-168.80113R279 R281 A287R279-K283 WeakPolarHBondContact O-CG 3.23Å; R279-K283 PolarHBondContact O-N 2.92Å; R281-K283 VanDerWaalsContact C-N 3.35Å; R281-K283 PolarHBondContact O-N 3Å; K283-A287 PolarHBondContact O-N 3.37Å
284R98.2Very high98.2Very high151 Ų151105 Ų10557%0.5750%0.503SS*.Hα-helixtrans-65.6-50175.7-70.2-178.8-165.997.9-5.7110.8A280 R281 E282 Q286 A287 D288A280-R284 WeakPolarHBondContact O-CG 3.46Å; A280-R284 PolarHBondContact O-N 2.9Å; A280-R284 VanDerWaalsContact O-N 3.17Å; A280-R284 PolarHBondContact O-NH1 2.81Å; R281-R284 PolarHBondContact O-N 2.8Å; R281-R284 VanDerWaalsContact O-N 3.17Å; E282-R284 VanDerWaalsContact C-N 3.31Å; E282-R284 PolarHBondContact O-N 3.38Å; R284-Q286 PolarHBondContact O-N 3.36Å; R284-A287 WeakPolarHBondContact O-CA 3.48Å; R284-A287 WeakPolarHBondContact O-CB 3.36Å; R284-A287 PolarHBondContact O-N 2.98Å; R284-D288 VanDerWaalsContact O-CG 3.23Å; R284-D288 PolarHBondContact O-N 2.92Å
285A98.1Very high98.2Very high57 Ų57103.8 Ų103.847%0.47150%0.499SS..Hα-helixtrans-57-37.9176.900000112.7R281 E282 A289R281-A285 PolarHBondContact O-N 2.97Å; E282-A285 PolarHBondContact O-N 3.31Å; A285-A289 VanDerWaalsContact O-CB 3.32Å; A285-A289 WeakPolarHBondContact O-CB 3.45Å; A285-A289 PolarHBondContact O-N 3.43Å
286Q98.1Very high98.2Very high94 Ų94105.2 Ų105.244%0.43950%0.503SS..Hα-helixtrans-67.7-37.1173.6-73.8178.88.700112.9E282 R284 R290E282-Q286 WeakPolarHBondContact O-CB 3.34Å; E282-Q286 WeakPolarHBondContact O-CG 3.43Å; E282-Q286 PolarHBondContact O-N 3.11Å; R284-Q286 PolarHBondContact O-N 3.36Å; Q286-R290 WeakPolarHBondContact O-CB 3.37Å; Q286-R290 WeakPolarHBondContact O-CG 3.28Å; Q286-R290 PolarHBondContact O-N 3.21Å
287A98.1Very high98.1Very high53 Ų53103.7 Ų103.744%0.43850%0.503SS..Hα-helixtrans-67.1-45.2175.500000110.9K283 R284 A289 R290 Q291K283-A287 PolarHBondContact O-N 3.37Å; R284-A287 WeakPolarHBondContact O-CA 3.48Å; R284-A287 WeakPolarHBondContact O-CB 3.36Å; R284-A287 PolarHBondContact O-N 2.98Å; A287-A289 PolarHBondContact O-N 3.46Å; A287-R290 WeakPolarHBondContact O-CB 3.28Å; A287-R290 PolarHBondContact O-N 2.95Å; A287-R290 VanDerWaalsContact O-N 3.15Å; A287-Q291 PolarHBondContact O-N 3.25Å
288D98.1Very high98Very high99 Ų99105 Ų10553%0.52951%0.509SS..Hα-helixtrans-60.5-47.3177.3-58.4-20.1000110.4R284 R290 Q291 T292R284-D288 VanDerWaalsContact O-CG 3.23Å; R284-D288 PolarHBondContact O-N 2.92Å; D288-R290 VanDerWaalsContact C-N 3.3Å; D288-R290 PolarHBondContact O-N 2.72Å; D288-Q291 WeakPolarHBondContact O-CB 3.44Å; D288-Q291 PolarHBondContact O-N 2.93Å; D288-T292 WeakPolarHBondContact O-CG2 3.4Å; D288-T292 PolarHBondContact O-N 3.34Å; D288-T292 PolarHBondContact O-OG1 3.27Å
289A98.1Very high97.9Very high49 Ų49105.9 Ų105.941%0.40552%0.516SS..Hα-helixtrans-62.2-34.917600000113.2A285 A287 Q291 T292 L293A285-A289 VanDerWaalsContact O-CB 3.32Å; A285-A289 WeakPolarHBondContact O-CB 3.45Å; A285-A289 PolarHBondContact O-N 3.43Å; A287-A289 PolarHBondContact O-N 3.46Å; A289-Q291 VanDerWaalsContact C-N 3.32Å; A289-T292 WeakPolarHBondContact CA-OG1 3.41Å; A289-T292 PolarHBondContact O-OG1 2.92Å; A289-L293 WeakPolarHBondContact O-CB 3.47Å; A289-L293 VanDerWaalsContact O-CG 3.26Å; A289-L293 WeakPolarHBondContact O-CG 3.4Å; A289-L293 PolarHBondContact O-N 2.94Å
290R98.1Very high97.9Very high173 Ų173104.1 Ų104.165%0.65351%0.513SS*.Hα-helixtrans-68.9-34.1173.4-77171.1177.6-170.4-0.9111.6Q286 A287 D288 K294Q286-R290 WeakPolarHBondContact O-CB 3.37Å; Q286-R290 WeakPolarHBondContact O-CG 3.28Å; Q286-R290 PolarHBondContact O-N 3.21Å; A287-R290 WeakPolarHBondContact O-CB 3.28Å; A287-R290 PolarHBondContact O-N 2.95Å; A287-R290 VanDerWaalsContact O-N 3.15Å; D288-R290 VanDerWaalsContact C-N 3.3Å; D288-R290 PolarHBondContact O-N 2.72Å; R290-K294 WeakPolarHBondContact O-CG 3.42Å; R290-K294 PolarHBondContact O-N 3.45Å
291Q98.1Very high97.7Very high116 Ų116105.3 Ų105.354%0.54252%0.523SS..Hα-helixtrans-72.6-45.5179-178.1152.4-10.900111.5A287 D288 A289 L293 K294 E295A287-Q291 PolarHBondContact O-N 3.25Å; D288-Q291 WeakPolarHBondContact O-CB 3.44Å; D288-Q291 PolarHBondContact O-N 2.93Å; A289-Q291 VanDerWaalsContact C-N 3.32Å; Q291-L293 VanDerWaalsContact C-N 3.29Å; Q291-L293 PolarHBondContact O-N 3.48Å; Q291-K294 WeakPolarHBondContact O-CA 3.45Å; Q291-K294 WeakPolarHBondContact O-CB 3.49Å; Q291-K294 PolarHBondContact O-N 3.38Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.4Å; Q291-E295 WeakPolarHBondContact O-CG 3.41Å; Q291-E295 PolarHBondContact O-N 2.88Å
292T97.9Very high97.5Very high63 Ų63104.1 Ų104.139%0.38753%0.525SS..Hα-helixtrans-60.2-39.5175.557.10000112.2D288 A289 K294 E295 H296D288-T292 WeakPolarHBondContact O-CG2 3.4Å; D288-T292 PolarHBondContact O-N 3.34Å; D288-T292 PolarHBondContact O-OG1 3.27Å; A289-T292 WeakPolarHBondContact CA-OG1 3.41Å; A289-T292 PolarHBondContact O-OG1 2.92Å; T292-K294 VanDerWaalsContact C-N 3.33Å; T292-K294 PolarHBondContact O-N 3.42Å; T292-E295 PolarHBondContact O-N 3.14Å; T292-H296 PolarHBondContact O-CD2 2.88Å; T292-H296 PolarHBondContact O-N 2.91Å
293L97.8Very high97.3Very high111 Ų111104.1 Ų104.158%0.58153%0.525SS*.Hα-helixtrans-63.4-37.9173.5-74.3172.5000112.5A289 Q291 V297A289-L293 WeakPolarHBondContact O-CB 3.47Å; A289-L293 VanDerWaalsContact O-CG 3.26Å; A289-L293 WeakPolarHBondContact O-CG 3.4Å; A289-L293 PolarHBondContact O-N 2.94Å; Q291-L293 VanDerWaalsContact C-N 3.29Å; Q291-L293 PolarHBondContact O-N 3.48Å; L293-V297 VanDerWaalsContact O-CG2 3.25Å; L293-V297 WeakPolarHBondContact O-CG2 3.4Å; L293-V297 PolarHBondContact O-N 2.73Å
294K98.1Very high97.1Very high147 Ų147103.6 Ų103.664%0.63953%0.528SS*.Hα-helixtrans-65.6-42.9175.6-77175.2178-1730111.7R290 Q291 T292 V297 Q298R290-K294 WeakPolarHBondContact O-CG 3.42Å; R290-K294 PolarHBondContact O-N 3.45Å; Q291-K294 WeakPolarHBondContact O-CA 3.45Å; Q291-K294 WeakPolarHBondContact O-CB 3.49Å; Q291-K294 PolarHBondContact O-N 3.38Å; T292-K294 VanDerWaalsContact C-N 3.33Å; T292-K294 PolarHBondContact O-N 3.42Å; K294-V297 PolarHBondContact O-N 2.76Å; K294-Q298 PolarHBondContact O-N 2.74Å
295E97.5Very high96.8Very high87 Ų8799.5 Ų99.541%0.40752%0.522SS..Hα-helixtrans-60-50.5176.4-71.1165.7-173.400110.2Q291 T292 V297 Q298 D299Q291-E295 WeakPolarHBondContact CG-OE1 3.4Å; Q291-E295 WeakPolarHBondContact O-CG 3.41Å; Q291-E295 PolarHBondContact O-N 2.88Å; T292-E295 PolarHBondContact O-N 3.14Å; E295-V297 VanDerWaalsContact C-N 3.32Å; E295-V297 PolarHBondContact O-N 3.01Å; E295-Q298 WeakPolarHBondContact O-CB 3.44Å; E295-Q298 PolarHBondContact O-N 3.28Å; E295-Q298 VanDerWaalsContact O-N 3.07Å; E295-D299 PolarHBondContact O-N 2.85Å
296H97.8Very high96.4Very high106 Ų106100.8 Ų100.849%0.49153%0.527SS..Hα-helixtrans-56.8-44.1176.2-70.2-174.1000112.4T292 Q298 D299 F300T292-H296 PolarHBondContact O-CD2 2.88Å; T292-H296 PolarHBondContact O-N 2.91Å; H296-Q298 VanDerWaalsContact C-N 3.33Å; H296-Q298 PolarHBondContact O-N 3.32Å; H296-D299 PolarHBondContact O-N 3.06Å; H296-F300 WeakPolarHBondContact O-CD2 3.44Å; H296-F300 PolarHBondContact O-N 2.76Å
297V97.5Very high95.9Very high101 Ų101101 Ų10161%0.61254%0.54SS*.Hα-helixtrans-63.9-38.7178170.30000111.6L293 K294 E295 A301L293-V297 VanDerWaalsContact O-CG2 3.25Å; L293-V297 WeakPolarHBondContact O-CG2 3.4Å; L293-V297 PolarHBondContact O-N 2.73Å; K294-V297 PolarHBondContact O-N 2.76Å; E295-V297 VanDerWaalsContact C-N 3.32Å; E295-V297 PolarHBondContact O-N 3.01Å; V297-A301 WeakPolarHBondContact O-CB 3.37Å; V297-A301 PolarHBondContact O-N 3.12Å
298Q97Very high94.9Very high133 Ų133106.7 Ų106.762%0.62156%0.559SS**Hα-helixtrans-65.4-44.2174.7-79.5178.9-3.700111.8K294 E295 H296 F300 A301 M302K294-Q298 PolarHBondContact O-N 2.74Å; E295-Q298 WeakPolarHBondContact O-CB 3.44Å; E295-Q298 PolarHBondContact O-N 3.28Å; E295-Q298 VanDerWaalsContact O-N 3.07Å; H296-Q298 VanDerWaalsContact C-N 3.33Å; H296-Q298 PolarHBondContact O-N 3.32Å; Q298-F300 VanDerWaalsContact C-N 3.34Å; Q298-F300 PolarHBondContact O-N 2.8Å; Q298-A301 WeakPolarHBondContact O-CB 3.38Å; Q298-A301 PolarHBondContact O-N 2.86Å; Q298-A301 VanDerWaalsContact O-N 3.15Å; Q298-M302 WeakPolarHBondContact O-CG 3.48Å; Q298-M302 PolarHBondContact O-N 3.48Å
299D96.6Very high93.4Very high93 Ų93108.7 Ų108.750%0.49759%0.59SS.*Hα-helixtrans-60.2-44.8177.3-67.4-24.2000111.3E295 H296 A301 M302 Q303E295-D299 PolarHBondContact O-N 2.85Å; H296-D299 PolarHBondContact O-N 3.06Å; D299-A301 VanDerWaalsContact C-N 3.35Å; D299-A301 PolarHBondContact O-N 3.13Å; D299-M302 PolarHBondContact O-N 3.08Å; D299-Q303 WeakPolarHBondContact O-CG 2.87Å; D299-Q303 PolarHBondContact O-N 2.99Å
300F96.7Very high93.2Very high130 Ų130111.7 Ų111.757%0.5760%0.599SS**Hα-helixtrans-60.6-42.3174-82.9-64.3000112.2H296 Q298 Q303 L304H296-F300 WeakPolarHBondContact O-CD2 3.44Å; H296-F300 PolarHBondContact O-N 2.76Å; Q298-F300 VanDerWaalsContact C-N 3.34Å; Q298-F300 PolarHBondContact O-N 2.8Å; F300-Q303 PolarHBondContact O-N 3.34Å; F300-L304 WeakPolarHBondContact O-CG 3.42Å; F300-L304 PolarHBondContact O-N 3.29Å
301A95.4Very high92.9Very high57 Ų57108.5 Ų108.547%0.47160%0.596SS.*Hα-helixtrans-63.6-41.4177.300000112V297 Q298 D299 L304 S305V297-A301 WeakPolarHBondContact O-CB 3.37Å; V297-A301 PolarHBondContact O-N 3.12Å; Q298-A301 WeakPolarHBondContact O-CB 3.38Å; Q298-A301 PolarHBondContact O-N 2.86Å; Q298-A301 VanDerWaalsContact O-N 3.15Å; D299-A301 VanDerWaalsContact C-N 3.35Å; D299-A301 PolarHBondContact O-N 3.13Å; A301-L304 PolarHBondContact O-N 3.49Å; A301-S305 PolarHBondContact O-N 2.89Å; A301-S305 VanDerWaalsContact O-N 3.09Å
302M94.6Very high92.6Very high123 Ų123108.1 Ų108.161%0.60660%0.599SS**Hα-helixtrans-63.2-46.4175.8-70.8-63.1-66.800111.4Q298 D299 L304 S305 S306Q298-M302 WeakPolarHBondContact O-CG 3.48Å; Q298-M302 PolarHBondContact O-N 3.48Å; D299-M302 PolarHBondContact O-N 3.08Å; M302-L304 VanDerWaalsContact C-N 3.33Å; M302-L304 PolarHBondContact O-N 3.11Å; M302-S305 PolarHBondContact O-N 3.25Å; M302-S305 VanDerWaalsContact O-N 3.15Å; M302-S305 PolarHBondContact O-OG 3.27Å; M302-S306 PolarHBondContact O-N 3.36Å; M302-S306 PolarHBondContact O-OG 2.91Å
303Q93.9Very high92.3Very high118 Ų118110.7 Ų110.755%0.55161%0.612SS**Hα-helixtrans-59.4-41.3177.2-73.5176.2-2.500112.9D299 F300 S306 S307D299-Q303 WeakPolarHBondContact O-CG 2.87Å; D299-Q303 PolarHBondContact O-N 2.99Å; F300-Q303 PolarHBondContact O-N 3.34Å; Q303-S306 PolarHBondContact O-N 3.2Å; Q303-S307 PolarHBondContact O-N 3.34Å; Q303-S307 VanDerWaalsContact O-N 3.08Å; Q303-S307 PolarHBondContact O-OG 3.3Å
304L94.3Very high92Very high115 Ų115110.7 Ų110.760%0.60261%0.613SS**Hα-helixtrans-63.2-41.9175.6-73.3170.6000111.6F300 A301 M302 S307 M308F300-L304 WeakPolarHBondContact O-CG 3.42Å; F300-L304 PolarHBondContact O-N 3.29Å; A301-L304 PolarHBondContact O-N 3.49Å; M302-L304 VanDerWaalsContact C-N 3.33Å; M302-L304 PolarHBondContact O-N 3.11Å; L304-S307 PolarHBondContact O-N 3.37Å; L304-M308 PolarHBondContact O-N 3.32Å
305S92Very high91.5Very high64 Ų64108.3 Ų108.345%0.44861%0.612SS.*Hα-helixtrans-64.6-39.7177.773.40000112.6A301 M302 S307 M308 A309A301-S305 PolarHBondContact O-N 2.89Å; A301-S305 VanDerWaalsContact O-N 3.09Å; M302-S305 PolarHBondContact O-N 3.25Å; M302-S305 VanDerWaalsContact O-N 3.15Å; M302-S305 PolarHBondContact O-OG 3.27Å; S305-S307 VanDerWaalsContact C-N 3.3Å; S305-S307 PolarHBondContact O-N 2.94Å; S305-M308 PolarHBondContact O-N 2.96Å; S305-A309 PolarHBondContact O-N 3.17Å
306S89.9Confident91.1Very high84 Ų84109.8 Ų109.859%0.58763%0.626SS**Hα-helixtrans-72.2-21.5177.1-55.60000113.8M302 Q303M302-S306 PolarHBondContact O-N 3.36Å; M302-S306 PolarHBondContact O-OG 2.91Å; Q303-S306 PolarHBondContact O-N 3.2Å
307S86Confident90.6Very high100 Ų100110.1 Ų110.170%0.69964%0.637SS**Hα-helixtrans-85.2-15.3177.6-56.30000113.2Q303 L304 S305Q303-S307 PolarHBondContact O-N 3.34Å; Q303-S307 VanDerWaalsContact O-N 3.08Å; Q303-S307 PolarHBondContact O-OG 3.3Å; L304-S307 PolarHBondContact O-N 3.37Å; S305-S307 VanDerWaalsContact C-N 3.3Å; S305-S307 PolarHBondContact O-N 2.94Å
308M77.4Confident90Very high172 Ų172110.8 Ų110.885%0.84764%0.639SS**Hα-helixtrans-103.6-7.1179.4-69.1-155.4174.800114L304 S305L304-M308 PolarHBondContact O-N 3.32Å; S305-M308 PolarHBondContact O-N 2.96Å
309A66.6Low89.4Confident141 Ų141108.8 Ų108.8100%1.16564%0.64SS**  trans-96.60174.600000110.6S305S305-A309 PolarHBondContact O-N 3.17Å

Retrieved 309 of 309 residues in 88.4 ms (Link to these results)