A0A096NAP5_PAPAN Loading...

Calcium/calmodulin-dependent protein kinase type 1G

Calcium/calmodulin-dependent protein kinase belonging to a proposed calcium-triggered signaling cascade. In vitro phosphorylates transcription factor CREB1.

AlphaFold DB (A0A2K6AA90), UniProt , Accession A0A096NAP5, Species PAPAN (Papio anubis, Olive baboon), Gene CAMK1G, Length 476 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
1M37.6Very low41.4Very low248 Ų248155.5 Ų155.5100%1.22282%0.822SS**  0110.70-71.6172.2172.600107.7
2G37Very low44Very low79 Ų79149.6 Ų149.681%0.81478%0.78SS**PPolyproline II helixtrans-77.9123.5172.600000109.4K4G2-K4 PolarHBondContact O-N 3.34Å
3R38.7Very low47Very low246 Ų246139.4 Ų139.493%0.92873%0.726SS**PPolyproline II helixtrans-66.2121.6161.3-91.1-179.5170.6161.7-3.2106.7E5R3-E5 PolarHBondContact O-N 3.07Å
4K38.1Very low50Low195 Ų195136 Ų13685%0.84870%0.702SS**PPolyproline II helixtrans-64.9118.4154.6-74.6-178.6172.6-176.40105.8G2 E6G2-K4 PolarHBondContact O-N 3.34Å; K4-E6 PolarHBondContact O-N 3.31Å
5E39.7Very low52.7Low184 Ų184135 Ų13586%0.8669%0.693SS**PPolyproline II helixtrans-66.9123.5156-70174.1149.400105.7R3 D7R3-E5 PolarHBondContact O-N 3.07Å; E5-D7 PolarHBondContact O-N 3.45Å; E5-D7 VanDerWaalsContact O-N 3.07Å
6E36.1Very low55Low194 Ų194128.1 Ų128.191%0.90766%0.659SS**  trans-75.896174.9-71.7-178.2150.100107.2K4K4-E6 PolarHBondContact O-N 3.31Å
7D38.5Very low56.8Low160 Ų160128.9 Ų128.986%0.85667%0.672SS**  trans-69.1148.3-178.7-134.9-15.3000111.5E5E5-D7 PolarHBondContact O-N 3.45Å; E5-D7 VanDerWaalsContact O-N 3.07Å
8D39.6Very low58.7Low119 Ų119125.7 Ų125.764%0.63666%0.655SS**  trans65.682.8167-144.52.2000118.6S10D8-S10 PolarHBondContact O-N 2.85Å; D8-S10 WeakPolarHBondContact OD1-CA 3.43Å; D8-S10 PolarHBondContact OD1-N 3.49Å
9C39.3Very low60.6Low131 Ų131119.5 Ų119.589%0.88562%0.623SS**  trans-63.183.8145.6-177.30000108.7S11C9-S11 PolarHBondContact O-N 3.32Å
10S46.3Very low62.3Low95 Ų95122.1 Ų122.166%0.66462%0.624SS**  trans-31.2102.5-170.5-175.30000113.8D8 W12D8-S10 PolarHBondContact O-N 2.85Å; D8-S10 WeakPolarHBondContact OD1-CA 3.43Å; D8-S10 PolarHBondContact OD1-N 3.49Å; S10-W12 PolarHBondContact O-N 3.41Å
11S64.6Low63.8Low60 Ų60123.6 Ų123.642%0.4263%0.626SS.*  trans-58.4108.1173.9169.20000109.7C9 K13C9-S11 PolarHBondContact O-N 3.32Å; S11-K13 PolarHBondContact O-N 2.67Å; S11-K13 PolarHBondContact OG-N 2.73Å; S11-K13 PolarHBondContact OG-O 2.75Å
12W73.2Confident66.6Low84 Ų84113.6 Ų113.632%0.31858%0.579SS.*SBendtrans-64.2-9.3177.559.5-96.5000113S10 E66 I69 K73 I86S10-W12 PolarHBondContact O-N 3.41Å; W12-E66 HydrophobicContact CH2-CB 4.48Å; W12-E66 HydrophobicContact CZ2-CB 4.07Å; W12-E66 HydrophobicContact CZ2-CG 4.39Å; W12-I69 HydrophobicContact CE3-CG2 4.29Å; W12-I69 HydrophobicContact CH2-CB 3.84Å; W12-I69 HydrophobicContact CH2-CG2 3.58Å; W12-I69 HydrophobicContact CZ3-CB 4.07Å; W12-I69 HydrophobicContact CZ3-CG2 3.27Å; W12-K73 HydrophobicContact CE3-CD 4.31Å; W12-K73 PolarHBondContact O-NZ 3.35Å; W12-I86 HydrophobicContact CE3-CD1 4.26Å; W12-I86 HydrophobicContact CZ3-CD1 3.95Å; W12-I86 HydrophobicContact CZ3-CG2 4.33Å
13K81.8Confident69.4Low17 Ų17109.9 Ų109.97%0.07454%0.541CS..SBendtrans-99.6128.2171.1-64-178.2-78.7164.60110.5S11 Q15 E66 I86 E88 Y93S11-K13 PolarHBondContact O-N 2.67Å; S11-K13 PolarHBondContact OG-N 2.73Å; S11-K13 PolarHBondContact OG-O 2.75Å; K13-Q15 PolarHBondContact O-N 2.94Å; K13-E66 IonicContact NZ-OE1 3.02Å; K13-E66 PolarHBondContact NZ-OE1 2.99Å; K13-I86 HydrophobicContact CG-CG2 4.47Å; K13-E88 HydrophobicContact CB-CB 4.26Å; K13-E88 HydrophobicContact CD-CB 4.36Å; K13-E88 VanDerWaalsContact CD-OE2 3.26Å; K13-E88 WeakPolarHBondContact CD-OE2 3.13Å; K13-E88 WeakPolarHBondContact CE-OE2 3.46Å; K13-E88 IonicContact NZ-OE1 2.77Å; K13-E88 PolarHBondContact NZ-OE1 2.98Å; K13-E88 IonicContact NZ-OE2 3.3Å; K13-E88 PolarHBondContact NZ-OE2 3.47Å; K13-Y93 HydrophobicContact CD-CD1 4.45Å; K13-Y93 HydrophobicContact CD-CE1 3.91Å
14K89.1Confident72.2Confident92 Ų92101.3 Ų101.340%0.451%0.512SS..EExtended strand (participates in β ladder)trans-81.5107.8172.6-66.5175.1-179.7170.50109.4T16 D85 I86 Y87 E88K14-T16 PolarHBondContact O-N 3.4Å; K14-D85 WeakPolarHBondContact CD-OD1 3.19Å; K14-D85 WeakPolarHBondContact CE-OD1 3.46Å; K14-D85 IonicContact NZ-OD1 2.73Å; K14-D85 PolarHBondContact NZ-OD1 2.88Å; K14-D85 IonicContact NZ-OD2 2.67Å; K14-D85 PolarHBondContact NZ-OD2 3.25Å; K14-I86 WeakPolarHBondContact CB-O 3.3Å; K14-I86 PolarHBondContact N-O 3.07Å; K14-Y87 HydrophobicContact CB-CD1 3.51Å; K14-Y87 HydrophobicContact CB-CE1 3.64Å; K14-Y87 HydrophobicContact CB-CG 4.16Å; K14-Y87 HydrophobicContact CD-CD1 4.39Å; K14-Y87 HydrophobicContact CD-CE1 3.72Å; K14-Y87 HydrophobicContact CD-CE2 4.36Å; K14-Y87 HydrophobicContact CG-CE1 4.3Å; K14-Y87 WeakPolarHBondContact O-CA 3.29Å; K14-E88 PolarHBondContact O-N 2.95Å
15Q90.3Very high75Confident121 Ų12194.7 Ų94.757%0.56548%0.484SS*.EExtended strand (participates in β ladder)trans-64.4136.6176.7-61.7-56.4-30.700110.8K13 E88K13-Q15 PolarHBondContact O-N 2.94Å; Q15-E88 PolarHBondContact NE2-OE2 3.47Å; Q15-E88 PolarHBondContact OE1-O 3.4Å
16T89.4Confident77.7Confident24 Ų2491.1 Ų91.115%0.14747%0.469CS..  trans-141.7135176.4-171.30000112.4K14 N18 I19 Y87 E88 S89 Y94K14-T16 PolarHBondContact O-N 3.4Å; T16-N18 PolarHBondContact OG1-N 3.22Å; T16-N18 PolarHBondContact OG1-O 2.65Å; T16-I19 HydrophobicContact CG2-CB 4.32Å; T16-I19 HydrophobicContact CG2-CD1 4.26Å; T16-Y87 HydrophobicContact CG2-CD1 4.36Å; T16-E88 PolarHBondContact N-O 2.92Å; T16-S89 WeakPolarHBondContact O-CB 3.34Å; T16-Y94 HydrophobicContact CG2-CD2 4.3Å; T16-Y94 HydrophobicContact CG2-CE2 4.16Å
17T86.6Confident80.3Confident142 Ų14287.3 Ų87.387%0.87145%0.451SS*.SBendtrans-85.5-17.9169.653.20000112.4
18N90.8Very high82.8Confident71 Ų7183.7 Ų83.738%0.3843%0.434SS..  trans-159.999.9178.8-172-23000111.6T16 R20 K21T16-N18 PolarHBondContact OG1-N 3.22Å; T16-N18 PolarHBondContact OG1-O 2.65Å; N18-R20 PolarHBondContact O-N 2.88Å; N18-R20 VanDerWaalsContact O-N 3.16Å; N18-R20 VanDerWaalsContact OD1-CB 3.27Å; N18-R20 WeakPolarHBondContact OD1-CB 3.49Å; N18-R20 PolarHBondContact OD1-N 3.35Å; N18-K21 HydrophobicContact CB-CD 4.4Å; N18-K21 HydrophobicContact CB-CG 4.24Å; N18-K21 WeakPolarHBondContact O-CB 3.36Å; N18-K21 PolarHBondContact O-N 2.93Å; N18-K21 VanDerWaalsContact O-N 3.1Å
19I94.2Very high84.9Confident9 Ų981.9 Ų81.95%0.04642%0.424CS..G310 helixtrans-59.6-25.3179.6-166.562.8000113.6T16 K21 T22 F23 F25 L51 Y87 Y94T16-I19 HydrophobicContact CG2-CB 4.32Å; T16-I19 HydrophobicContact CG2-CD1 4.26Å; I19-K21 PolarHBondContact O-N 3.06Å; I19-T22 PolarHBondContact O-N 3.01Å; I19-F23 HydrophobicContact CD1-CD2 3.71Å; I19-F23 HydrophobicContact CD1-CE2 3.92Å; I19-F23 HydrophobicContact CG1-CD2 4Å; I19-F23 PolarHBondContact O-N 3.1Å; I19-F25 HydrophobicContact CG2-CE2 4Å; I19-F25 HydrophobicContact CG2-CZ 3.84Å; I19-L51 HydrophobicContact CG1-CD2 4.1Å; I19-Y87 HydrophobicContact CD1-CD1 4.17Å; I19-Y87 HydrophobicContact CD1-CD2 3.92Å; I19-Y87 HydrophobicContact CD1-CG 3.68Å; I19-Y94 HydrophobicContact CB-CD1 4.45Å; I19-Y94 HydrophobicContact CB-CD2 4.27Å; I19-Y94 HydrophobicContact CB-CE1 4.28Å; I19-Y94 HydrophobicContact CB-CE2 4.07Å; I19-Y94 HydrophobicContact CB-CG 4.44Å; I19-Y94 HydrophobicContact CD1-CD2 4.23Å; I19-Y94 HydrophobicContact CD1-CG 4.23Å; I19-Y94 HydrophobicContact CG1-CD1 4.15Å; I19-Y94 HydrophobicContact CG1-CD2 4.2Å; I19-Y94 HydrophobicContact CG1-CE1 4.48Å; I19-Y94 HydrophobicContact CG1-CE2 4.49Å; I19-Y94 HydrophobicContact CG1-CG 4.01Å; I19-Y94 HydrophobicContact CG2-CD1 4.26Å; I19-Y94 HydrophobicContact CG2-CE1 3.78Å; I19-Y94 HydrophobicContact CG2-CE2 4.31Å
20R94.3Very high86.6Confident171 Ų17177 Ų7765%0.64540%0.396SS*.G310 helixtrans-69.9-13.2178.3-57-178.5172.2-175.5-2.4113.4N18 T22 F23 F25 R43N18-R20 PolarHBondContact O-N 2.88Å; N18-R20 VanDerWaalsContact O-N 3.16Å; N18-R20 VanDerWaalsContact OD1-CB 3.27Å; N18-R20 WeakPolarHBondContact OD1-CB 3.49Å; N18-R20 PolarHBondContact OD1-N 3.35Å; R20-T22 VanDerWaalsContact C-N 3.34Å; R20-F23 CarbonylContact C-O 3.57Å; R20-F23 WeakPolarHBondContact CA-O 3.49Å; R20-F25 HydrophobicContact CG-CD2 4.04Å; R20-F25 HydrophobicContact CG-CE2 3.84Å; R20-R43 PolarHBondContact O-NE 2.77Å; R20-R43 PolarHBondContact O-NH2 3.02Å
21K94.6Very high87.9Confident154 Ų15477 Ų7767%0.6740%0.396SS*.G310 helixtrans-73.4-25.4168.7-69.5-174.4175.3-177.50112.6N18 I19 R43N18-K21 HydrophobicContact CB-CD 4.4Å; N18-K21 HydrophobicContact CB-CG 4.24Å; N18-K21 WeakPolarHBondContact O-CB 3.36Å; N18-K21 PolarHBondContact O-N 2.93Å; N18-K21 VanDerWaalsContact O-N 3.1Å; I19-K21 PolarHBondContact O-N 3.06Å; K21-R43 WeakPolarHBondContact O-CD 3.26Å
22T95.6Very high87.9Confident37 Ų3776 Ų7623%0.22740%0.396CS..THydrogen-bonded Turntrans-94.6-38.5178-48.10000111.5I19 R20 R43 Y87I19-T22 PolarHBondContact O-N 3.01Å; R20-T22 VanDerWaalsContact C-N 3.34Å; T22-R43 WeakPolarHBondContact O-CB 3.13Å; T22-R43 PolarHBondContact O-N 2.85Å; T22-Y87 HydrophobicContact CG2-CE1 4.44Å
23F97.5Very high87.3Confident1 Ų176.4 Ų76.40%0.00442%0.417CS..EExtended strand (participates in β ladder)trans-123142.5-171.7-66.1-79.1000112.7I19 R20 F25 V40 K41 Q42 F49 Y87 V96I19-F23 HydrophobicContact CD1-CD2 3.71Å; I19-F23 HydrophobicContact CD1-CE2 3.92Å; I19-F23 HydrophobicContact CG1-CD2 4Å; I19-F23 PolarHBondContact O-N 3.1Å; R20-F23 CarbonylContact C-O 3.57Å; R20-F23 WeakPolarHBondContact CA-O 3.49Å; F23-F25 HydrophobicContact CB-CE2 4.36Å; F23-V40 HydrophobicContact CB-CB 4.08Å; F23-V40 HydrophobicContact CB-CG1 4.5Å; F23-V40 HydrophobicContact CB-CG2 4.32Å; F23-V40 HydrophobicContact CD1-CB 4.07Å; F23-V40 HydrophobicContact CD1-CG2 3.48Å; F23-V40 VanDerWaalsContact CD1-CG2 3.48Å; F23-V40 HydrophobicContact CE1-CG2 4.03Å; F23-V40 HydrophobicContact CG-CB 4.36Å; F23-V40 HydrophobicContact CG-CG2 4.05Å; F23-K41 WeakPolarHBondContact CA-O 3.4Å; F23-Q42 HydrophobicContact CD1-CB 3.98Å; F23-Q42 HydrophobicContact CD1-CG 4.38Å; F23-Q42 HydrophobicContact CE1-CB 3.71Å; F23-Q42 HydrophobicContact CE1-CG 3.92Å; F23-Q42 HydrophobicContact CZ-CG 4.43Å; F23-F49 HydrophobicContact CE1-CD2 4.03Å; F23-Y87 HydrophobicContact CE2-CD2 4.17Å; F23-Y87 AromaticContact CE2-CE2 3.73Å; F23-Y87 HydrophobicContact CE2-CE2 3.73Å; F23-Y87 HydrophobicContact CZ-CE2 4.14Å; F23-V96 HydrophobicContact CE1-CG1 4.27Å; F23-V96 HydrophobicContact CE2-CG2 3.93Å; F23-V96 HydrophobicContact CZ-CG1 4.03Å; F23-V96 HydrophobicContact CZ-CG2 3.61Å
24I97.6Very high86.6Confident66 Ų6683.5 Ų83.534%0.33845%0.448SS..EExtended strand (participates in β ladder)trans-90.5122.7162.8-61.4162.2000106.4V40 K41 R43I24-V40 CarbonylContact O-C 3.56Å; I24-V40 WeakPolarHBondContact O-CA 3.42Å; I24-V40 WeakPolarHBondContact O-CB 3.47Å; I24-K41 HydrophobicContact CB-CB 4.31Å; I24-K41 PolarHBondContact N-O 3.48Å; I24-K41 PolarHBondContact O-N 3.03Å; I24-R43 HydrophobicContact CD1-CG 4.11Å; I24-R43 HydrophobicContact CG1-CG 3.78Å; I24-R43 VanDerWaalsContact CG1-CZ 3.48Å
25F96.7Very high86Confident57 Ų5780.5 Ų80.525%0.2544%0.439CS..EExtended strand (participates in β ladder)trans-82.2134.5173.4-73.3-115.2000108.4I19 R20 F23 F38 V40 L51I19-F25 HydrophobicContact CG2-CE2 4Å; I19-F25 HydrophobicContact CG2-CZ 3.84Å; R20-F25 HydrophobicContact CG-CD2 4.04Å; R20-F25 HydrophobicContact CG-CE2 3.84Å; F23-F25 HydrophobicContact CB-CE2 4.36Å; F25-F38 HydrophobicContact CD1-CB 3.86Å; F25-F38 AromaticContact CD1-CD1 3.76Å; F25-F38 HydrophobicContact CD1-CD1 3.76Å; F25-F38 HydrophobicContact CD1-CD2 4Å; F25-F38 HydrophobicContact CD1-CE1 4.27Å; F25-F38 HydrophobicContact CD1-CE2 4.48Å; F25-F38 AromaticContact CD1-CG 3.6Å; F25-F38 HydrophobicContact CD1-CG 3.6Å; F25-F38 HydrophobicContact CE1-CB 4.2Å; F25-F38 HydrophobicContact CE1-CD1 4.37Å; F25-F38 AromaticContact CE1-CD2 3.77Å; F25-F38 HydrophobicContact CE1-CD2 3.77Å; F25-F38 HydrophobicContact CE1-CE2 4.2Å; F25-F38 AromaticContact CE1-CG 3.86Å; F25-F38 HydrophobicContact CE1-CG 3.86Å; F25-V40 HydrophobicContact CD1-CG1 4.2Å; F25-V40 HydrophobicContact CD2-CG1 4.44Å; F25-V40 HydrophobicContact CE1-CG1 4.4Å; F25-V40 HydrophobicContact CG-CG1 4.21Å; F25-L51 HydrophobicContact CE1-CD2 3.94Å; F25-L51 HydrophobicContact CE2-CD2 4.2Å; F25-L51 HydrophobicContact CZ-CD2 3.49Å; F25-L51 VanDerWaalsContact CZ-CD2 3.49Å
26M94.9Very high85.7Confident109 Ų10978.9 Ų78.954%0.53743%0.431SS..EExtended strand (participates in β ladder)trans-110.8-77-177.1-64176.357.100110.4L39 K41 L48M26-L39 HydrophobicContact CB-CB 4.32Å; M26-L39 HydrophobicContact CB-CD2 4.22Å; M26-L39 HydrophobicContact CB-CG 4.15Å; M26-L39 WeakPolarHBondContact CB-O 3.5Å; M26-L39 HydrophobicContact CE-CD2 3.92Å; M26-L39 PolarHBondContact N-O 2.89Å; M26-L39 HydrophobicContact SD-CD2 4.19Å; M26-L39 HydrophobicContact SD-CG 4.16Å; M26-K41 HydrophobicContact SD-CB 4.09Å; M26-L48 HydrophobicContact SD-CD2 3.81Å
27E92.3Very high85.6Confident114 Ų11479.5 Ų79.553%0.53344%0.435SS..EExtended strand (participates in β ladder)trans-131.4166.4-179.465.3-172.3161.500111.7L29 F38 L39E27-L29 HydrophobicContact CG-CD2 4.32Å; E27-F38 CarbonylContact O-C 3.48Å; E27-F38 VanDerWaalsContact O-CA 3.3Å; E27-F38 WeakPolarHBondContact O-CA 3.47Å; E27-L39 HydrophobicContact CG-CB 3.76Å; E27-L39 HydrophobicContact CG-CD2 4.05Å; E27-L39 PolarHBondContact O-N 2.93Å; E27-L39 WeakPolarHBondContact OE1-CD2 3.19Å
28V90.3Very high85.9Confident83 Ų8374.3 Ų74.350%0.50340%0.4SS..EExtended strand (participates in β ladder)trans-89.2118.7173.7-179.20000108F38V28-F38 HydrophobicContact CG2-CD1 3.93Å; V28-F38 HydrophobicContact CG2-CE1 3.64Å
29L82.8Confident86.1Confident81 Ų8171.7 Ų71.742%0.42439%0.386SS..EExtended strand (participates in β ladder)trans-86.4-25.9174.8-62.9175.2000111.9E27 V37 L39 A50 L99E27-L29 HydrophobicContact CG-CD2 4.32Å; L29-V37 HydrophobicContact CB-CB 4.4Å; L29-V37 HydrophobicContact CB-CG1 4.15Å; L29-V37 HydrophobicContact CD1-CG1 4.38Å; L29-V37 PolarHBondContact N-O 3Å; L29-L39 HydrophobicContact CD1-CB 4.04Å; L29-L39 HydrophobicContact CD2-CB 4.17Å; L29-L39 HydrophobicContact CG-CB 4.04Å; L29-A50 HydrophobicContact CD1-CB 4.14Å; L29-L99 HydrophobicContact CD1-CD1 3.92Å
30G75.4Confident86.2Confident30 Ų3071.2 Ų71.231%0.30938%0.384SS..EExtended strand (participates in β ladder)trans-170.5154.8176.200000112.6V37G30-V37 PolarHBondContact N-O 3.46Å; G30-V37 PolarHBondContact O-N 3.23Å
31S73.4Confident86.3Confident93 Ų9367.4 Ų67.465%0.6537%0.372SS*.EExtended strand (participates in β ladder)trans-138.5133.5177.4-172.10000109.9
32G64.6Low86.5Confident41 Ų4161.6 Ų61.642%0.42335%0.347SS..EExtended strand (participates in β ladder)trans-137.4174.6178.400000111.3F34 S35G32-F34 PolarHBondContact O-N 3.16Å; G32-S35 PolarHBondContact N-O 3.33Å; G32-S35 PolarHBondContact O-N 3.46Å
33A61.5Low86.5Confident92 Ų9266.6 Ų66.676%0.7636%0.362SS*.THydrogen-bonded Turntrans-54.2-33-167.100000115.6
34F66.8Low86.4Confident165 Ų16574.3 Ų74.372%0.72440%0.402SS*.THydrogen-bonded Turntrans-132.77-178.2-52.3-71.3000113.9G32 K55G32-F34 PolarHBondContact O-N 3.16Å; F34-K55 PolarHBondContact O-N 2.99Å; F34-K55 VanDerWaalsContact O-N 3.07Å
35S75.9Confident86.3Confident30 Ų3074.6 Ų74.621%0.2141%0.407CS..EExtended strand (participates in β ladder)trans-150.2144.7-177.764.50000113.2G32 K52 C53G32-S35 PolarHBondContact N-O 3.33Å; G32-S35 PolarHBondContact O-N 3.46Å; S35-K52 WeakPolarHBondContact OG-CE 3.29Å; S35-C53 CarbonylContact C-O 3.55Å; S35-C53 WeakPolarHBondContact CA-O 3.06Å; S35-C53 VanDerWaalsContact CB-O 3.29Å; S35-C53 WeakPolarHBondContact CB-O 3.49Å
36E84.3Confident86.2Confident87 Ų8773.5 Ų73.541%0.40741%0.412SS..EExtended strand (participates in β ladder)trans-125.7141.8176.6-62.4-176.2122.500109.7F38 C53E36-F38 HydrophobicContact CB-CD2 4.31Å; E36-F38 HydrophobicContact CB-CE2 3.52Å; E36-F38 HydrophobicContact CB-CZ 3.96Å; E36-C53 PolarHBondContact N-O 3.19Å; E36-C53 PolarHBondContact O-N 2.95Å
37V87.7Confident86.3Confident36 Ų3674.7 Ų74.722%0.21841%0.414CS..EExtended strand (participates in β ladder)trans-112.7125.4177.8-171.60000108.7L29 G30 A50 L51 K52L29-V37 HydrophobicContact CB-CB 4.4Å; L29-V37 HydrophobicContact CB-CG1 4.15Å; L29-V37 HydrophobicContact CD1-CG1 4.38Å; L29-V37 PolarHBondContact N-O 3Å; G30-V37 PolarHBondContact N-O 3.46Å; G30-V37 PolarHBondContact O-N 3.23Å; V37-A50 HydrophobicContact CG1-CB 4.13Å; V37-L51 WeakPolarHBondContact CA-O 3.49Å; V37-K52 HydrophobicContact CG2-CB 4.17Å; V37-K52 HydrophobicContact CG2-CD 4.37Å; V37-K52 HydrophobicContact CG2-CG 3.98Å
38F92.6Very high86.5Confident34 Ų3473 Ų7315%0.14941%0.409CS..EExtended strand (participates in β ladder)trans-117142.5-179.9-62.8-92.6000111.3F25 E27 V28 E36 V40 L51 C53F25-F38 HydrophobicContact CD1-CB 3.86Å; F25-F38 AromaticContact CD1-CD1 3.76Å; F25-F38 HydrophobicContact CD1-CD1 3.76Å; F25-F38 HydrophobicContact CD1-CD2 4Å; F25-F38 HydrophobicContact CD1-CE1 4.27Å; F25-F38 HydrophobicContact CD1-CE2 4.48Å; F25-F38 AromaticContact CD1-CG 3.6Å; F25-F38 HydrophobicContact CD1-CG 3.6Å; F25-F38 HydrophobicContact CE1-CB 4.2Å; F25-F38 HydrophobicContact CE1-CD1 4.37Å; F25-F38 AromaticContact CE1-CD2 3.77Å; F25-F38 HydrophobicContact CE1-CD2 3.77Å; F25-F38 HydrophobicContact CE1-CE2 4.2Å; F25-F38 AromaticContact CE1-CG 3.86Å; F25-F38 HydrophobicContact CE1-CG 3.86Å; E27-F38 CarbonylContact O-C 3.48Å; E27-F38 VanDerWaalsContact O-CA 3.3Å; E27-F38 WeakPolarHBondContact O-CA 3.47Å; V28-F38 HydrophobicContact CG2-CD1 3.93Å; V28-F38 HydrophobicContact CG2-CE1 3.64Å; E36-F38 HydrophobicContact CB-CD2 4.31Å; E36-F38 HydrophobicContact CB-CE2 3.52Å; E36-F38 HydrophobicContact CB-CZ 3.96Å; F38-V40 HydrophobicContact CB-CG1 3.93Å; F38-V40 PolarHBondContact O-N 3.43Å; F38-L51 PolarHBondContact N-O 2.71Å; F38-L51 PolarHBondContact O-N 2.89Å; F38-C53 HydrophobicContact CE2-CB 4.4Å
39L94.3Very high86.7Confident15 Ų1570 Ų708%0.07939%0.389CS..EExtended strand (participates in β ladder)trans-69.9125.2158.9177.261000107.6M26 E27 L29 L48 L99M26-L39 HydrophobicContact CB-CB 4.32Å; M26-L39 HydrophobicContact CB-CD2 4.22Å; M26-L39 HydrophobicContact CB-CG 4.15Å; M26-L39 WeakPolarHBondContact CB-O 3.5Å; M26-L39 HydrophobicContact CE-CD2 3.92Å; M26-L39 PolarHBondContact N-O 2.89Å; M26-L39 HydrophobicContact SD-CD2 4.19Å; M26-L39 HydrophobicContact SD-CG 4.16Å; E27-L39 HydrophobicContact CG-CB 3.76Å; E27-L39 HydrophobicContact CG-CD2 4.05Å; E27-L39 PolarHBondContact O-N 2.93Å; E27-L39 WeakPolarHBondContact OE1-CD2 3.19Å; L29-L39 HydrophobicContact CD1-CB 4.04Å; L29-L39 HydrophobicContact CD2-CB 4.17Å; L29-L39 HydrophobicContact CG-CB 4.04Å; L39-L48 HydrophobicContact CD1-CB 4.31Å; L39-L48 HydrophobicContact CD1-CD2 4.5Å; L39-L99 HydrophobicContact CD1-CD1 3.82Å; L39-L99 HydrophobicContact CD1-CD2 3.55Å; L39-L99 HydrophobicContact CD1-CG 4.33Å
40V96.9Very high87.2Confident0 Ų066.8 Ų66.80%037%0.374CS..EExtended strand (participates in β ladder)trans-130.9147.3178.6-56.10000112.7F23 I24 F25 F38 L48 F49 L51F23-V40 HydrophobicContact CB-CB 4.08Å; F23-V40 HydrophobicContact CB-CG1 4.5Å; F23-V40 HydrophobicContact CB-CG2 4.32Å; F23-V40 HydrophobicContact CD1-CB 4.07Å; F23-V40 HydrophobicContact CD1-CG2 3.48Å; F23-V40 VanDerWaalsContact CD1-CG2 3.48Å; F23-V40 HydrophobicContact CE1-CG2 4.03Å; F23-V40 HydrophobicContact CG-CB 4.36Å; F23-V40 HydrophobicContact CG-CG2 4.05Å; I24-V40 CarbonylContact O-C 3.56Å; I24-V40 WeakPolarHBondContact O-CA 3.42Å; I24-V40 WeakPolarHBondContact O-CB 3.47Å; F25-V40 HydrophobicContact CD1-CG1 4.2Å; F25-V40 HydrophobicContact CD2-CG1 4.44Å; F25-V40 HydrophobicContact CE1-CG1 4.4Å; F25-V40 HydrophobicContact CG-CG1 4.21Å; F38-V40 HydrophobicContact CB-CG1 3.93Å; F38-V40 PolarHBondContact O-N 3.43Å; V40-L48 CarbonylContact O-C 3.37Å; V40-L48 VanDerWaalsContact O-CA 3.31Å; V40-L48 WeakPolarHBondContact O-CA 3.47Å; V40-F49 HydrophobicContact CG2-CB 3.96Å; V40-F49 PolarHBondContact N-O 2.81Å; V40-F49 PolarHBondContact O-N 2.6Å; V40-L51 HydrophobicContact CB-CB 4.34Å; V40-L51 HydrophobicContact CG1-CB 3.6Å; V40-L51 HydrophobicContact CG1-CD2 3.89Å; V40-L51 HydrophobicContact CG1-CG 4.39Å; V40-L51 HydrophobicContact CG2-CB 3.75Å
41K97.5Very high88Confident91 Ų9165.3 Ų65.340%0.39636%0.359SS..EExtended strand (participates in β ladder)trans-106.9120.5170.6-170.2171.9-175.9171.70110F23 I24 M26 R43 G46 K47 L48F23-K41 WeakPolarHBondContact CA-O 3.4Å; I24-K41 HydrophobicContact CB-CB 4.31Å; I24-K41 PolarHBondContact N-O 3.48Å; I24-K41 PolarHBondContact O-N 3.03Å; M26-K41 HydrophobicContact SD-CB 4.09Å; K41-R43 PolarHBondContact O-N 2.78Å; K41-G46 WeakPolarHBondContact CE-O 3.4Å; K41-G46 WeakPolarHBondContact CG-O 3.31Å; K41-K47 CarbonylContact C-O 3.56Å; K41-K47 WeakPolarHBondContact CA-O 3.21Å; K41-L48 HydrophobicContact CB-CD2 3.77Å; K41-L48 HydrophobicContact CD-CD2 4.32Å; K41-L48 HydrophobicContact CG-CD2 3.98Å
42Q97.3Very high88.8Confident31 Ų3161.7 Ų61.715%0.14533%0.331CS..EExtended strand (participates in β ladder)trans-68123.4174.8-169.9-177.942.200109.4F23 L44 T45 G46 K47 F49F23-Q42 HydrophobicContact CD1-CB 3.98Å; F23-Q42 HydrophobicContact CD1-CG 4.38Å; F23-Q42 HydrophobicContact CE1-CB 3.71Å; F23-Q42 HydrophobicContact CE1-CG 3.92Å; F23-Q42 HydrophobicContact CZ-CG 4.43Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 2.6Å; Q42-T45 PolarHBondContact OE1-OG1 2.85Å; Q42-G46 WeakPolarHBondContact O-CA 3.32Å; Q42-G46 PolarHBondContact O-N 2.87Å; Q42-K47 PolarHBondContact N-O 3.03Å; Q42-F49 HydrophobicContact CB-CD2 4.23Å; Q42-F49 HydrophobicContact CB-CE2 3.86Å
43R96.3Very high89.9Confident142 Ų14260.3 Ų60.354%0.53632%0.315SS..THydrogen-bonded Turntrans-62.4-36.9-171.8-72.3-179-172.7-86.20.1113.8R20 K21 T22 I24 K41R20-R43 PolarHBondContact O-NE 2.77Å; R20-R43 PolarHBondContact O-NH2 3.02Å; K21-R43 WeakPolarHBondContact O-CD 3.26Å; T22-R43 WeakPolarHBondContact O-CB 3.13Å; T22-R43 PolarHBondContact O-N 2.85Å; I24-R43 HydrophobicContact CD1-CG 4.11Å; I24-R43 HydrophobicContact CG1-CG 3.78Å; I24-R43 VanDerWaalsContact CG1-CZ 3.48Å; K41-R43 PolarHBondContact O-N 2.78Å
44L95.2Very high91Very high163 Ų16357.4 Ų57.485%0.85329%0.286SS*.THydrogen-bonded Turntrans-73.8-40.1-175.4-177.963.7000113.1Q42Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 2.6Å
45T96.5Very high91.7Very high73 Ų7356 Ų5645%0.44828%0.28SS..THydrogen-bonded Turntrans-107.5-16.1-17164.10000113.5Q42 K47Q42-T45 PolarHBondContact OE1-OG1 2.85Å; T45-K47 PolarHBondContact O-N 2.9Å; T45-K47 WeakPolarHBondContact OG1-CB 3.46Å; T45-K47 PolarHBondContact OG1-N 2.83Å
46G94.9Very high92Very high34 Ų3456.8 Ų56.835%0.35128%0.279SS..  trans71.40.3-171.100000115.1K41 Q42K41-G46 WeakPolarHBondContact CE-O 3.4Å; K41-G46 WeakPolarHBondContact CG-O 3.31Å; Q42-G46 WeakPolarHBondContact O-CA 3.32Å; Q42-G46 PolarHBondContact O-N 2.87Å
47K95.9Very high91.3Very high133 Ų13355.7 Ų55.758%0.57828%0.282SS*.  trans-67.5146.9179.2-70.3-174.1174.9-170.70112.1K41 Q42 T45 F49K41-K47 CarbonylContact C-O 3.56Å; K41-K47 WeakPolarHBondContact CA-O 3.21Å; Q42-K47 PolarHBondContact N-O 3.03Å; T45-K47 PolarHBondContact O-N 2.9Å; T45-K47 WeakPolarHBondContact OG1-CB 3.46Å; T45-K47 PolarHBondContact OG1-N 2.83Å; K47-F49 HydrophobicContact CB-CD2 4.42Å; K47-F49 HydrophobicContact CB-CE2 3.57Å; K47-F49 HydrophobicContact CB-CZ 3.84Å; K47-F49 HydrophobicContact CD-CZ 4.17Å
48L95.6Very high90.1Very high80 Ų8060.7 Ų60.742%0.41932%0.315SS..EExtended strand (participates in β ladder)trans-96143.2176.1-61.1177.3000111.1M26 L39 V40 K41 L99M26-L48 HydrophobicContact SD-CD2 3.81Å; L39-L48 HydrophobicContact CD1-CB 4.31Å; L39-L48 HydrophobicContact CD1-CD2 4.5Å; V40-L48 CarbonylContact O-C 3.37Å; V40-L48 VanDerWaalsContact O-CA 3.31Å; V40-L48 WeakPolarHBondContact O-CA 3.47Å; K41-L48 HydrophobicContact CB-CD2 3.77Å; K41-L48 HydrophobicContact CD-CD2 4.32Å; K41-L48 HydrophobicContact CG-CD2 3.98Å; L48-L99 HydrophobicContact CB-CD2 3.85Å; L48-L99 HydrophobicContact CD1-CD2 4.41Å
49F95.1Very high88.3Confident19 Ų1963.5 Ų63.58%0.08334%0.344CS..EExtended strand (participates in β ladder)trans-144.7159.3-179.7-61.7-81.3000110.8F23 V40 Q42 K47 E84 V96F23-F49 HydrophobicContact CE1-CD2 4.03Å; V40-F49 HydrophobicContact CG2-CB 3.96Å; V40-F49 PolarHBondContact N-O 2.81Å; V40-F49 PolarHBondContact O-N 2.6Å; Q42-F49 HydrophobicContact CB-CD2 4.23Å; Q42-F49 HydrophobicContact CB-CE2 3.86Å; K47-F49 HydrophobicContact CB-CD2 4.42Å; K47-F49 HydrophobicContact CB-CE2 3.57Å; K47-F49 HydrophobicContact CB-CZ 3.84Å; K47-F49 HydrophobicContact CD-CZ 4.17Å; F49-E84 HydrophobicContact CD1-CG 4.19Å; F49-E84 HydrophobicContact CE1-CB 4.28Å; F49-E84 HydrophobicContact CE1-CG 3.88Å; F49-V96 HydrophobicContact CB-CG1 3.75Å; F49-V96 HydrophobicContact CD1-CG1 3.69Å; F49-V96 HydrophobicContact CD2-CG1 4.1Å; F49-V96 HydrophobicContact CE1-CG1 4.28Å; F49-V96 HydrophobicContact CG-CG1 3.57Å
50A92.9Very high86.3Confident13 Ų1369.9 Ų69.911%0.10737%0.372CS..EExtended strand (participates in β ladder)trans-90.9119.8162.400000108.8L29 V37 M97 L99L29-A50 HydrophobicContact CD1-CB 4.14Å; V37-A50 HydrophobicContact CG1-CB 4.13Å; A50-M97 HydrophobicContact CB-CB 4.4Å; A50-M97 PolarHBondContact N-O 3.23Å; A50-M97 WeakPolarHBondContact O-CA 3.39Å; A50-M97 WeakPolarHBondContact O-CB 3.27Å; A50-M97 PolarHBondContact O-N 2.99Å; A50-L99 HydrophobicContact CB-CD1 4.35Å
51L92.8Very high84.3Confident0 Ų080.4 Ų80.40%041%0.411CS..EExtended strand (participates in β ladder)trans-104.2104.9179.7-169.973000110.2I19 F25 V37 F38 V40 C53 L95 V96I19-L51 HydrophobicContact CG1-CD2 4.1Å; F25-L51 HydrophobicContact CE1-CD2 3.94Å; F25-L51 HydrophobicContact CE2-CD2 4.2Å; F25-L51 HydrophobicContact CZ-CD2 3.49Å; F25-L51 VanDerWaalsContact CZ-CD2 3.49Å; V37-L51 WeakPolarHBondContact CA-O 3.49Å; F38-L51 PolarHBondContact N-O 2.71Å; F38-L51 PolarHBondContact O-N 2.89Å; V40-L51 HydrophobicContact CB-CB 4.34Å; V40-L51 HydrophobicContact CG1-CB 3.6Å; V40-L51 HydrophobicContact CG1-CD2 3.89Å; V40-L51 HydrophobicContact CG1-CG 4.39Å; V40-L51 HydrophobicContact CG2-CB 3.75Å; L51-C53 PolarHBondContact O-N 3.36Å; L51-L95 WeakPolarHBondContact CA-O 3.41Å; L51-V96 HydrophobicContact CD1-CB 4.37Å; L51-V96 HydrophobicContact CD1-CG2 3.66Å
52K89.3Confident82.4Confident16 Ų1679.3 Ų79.37%0.0741%0.41CS..EExtended strand (participates in β ladder)trans-84.9107173.6-171.5170.9-170.2-1760109.7S35 V37 I54 Y94 L95 M97 D164S35-K52 WeakPolarHBondContact OG-CE 3.29Å; V37-K52 HydrophobicContact CG2-CB 4.17Å; V37-K52 HydrophobicContact CG2-CD 4.37Å; V37-K52 HydrophobicContact CG2-CG 3.98Å; K52-I54 HydrophobicContact CD-CD1 4.47Å; K52-I54 HydrophobicContact CG-CD1 4.46Å; K52-I54 HydrophobicContact CG-CG1 4.07Å; K52-Y94 WeakPolarHBondContact O-CA 3.48Å; K52-L95 HydrophobicContact CB-CB 4.33Å; K52-L95 PolarHBondContact N-O 3.33Å; K52-L95 PolarHBondContact O-N 3.05Å; K52-M97 HydrophobicContact CB-SD 4.05Å; K52-D164 IonicContact NZ-OD1 2.7Å; K52-D164 PolarHBondContact NZ-OD1 2.82Å; K52-D164 IonicContact NZ-OD2 3.65Å
53C89.4Confident80.7Confident12 Ų1280.9 Ų80.98%0.08142%0.424CS..EExtended strand (participates in β ladder)trans-85.7120.4173.1-60.30000108.9S35 E36 F38 L51 Y94S35-C53 CarbonylContact C-O 3.55Å; S35-C53 WeakPolarHBondContact CA-O 3.06Å; S35-C53 VanDerWaalsContact CB-O 3.29Å; S35-C53 WeakPolarHBondContact CB-O 3.49Å; E36-C53 PolarHBondContact N-O 3.19Å; E36-C53 PolarHBondContact O-N 2.95Å; F38-C53 HydrophobicContact CE2-CB 4.4Å; L51-C53 PolarHBondContact O-N 3.36Å; C53-Y94 HydrophobicContact CB-CD1 4.18Å; C53-Y94 HydrophobicContact CB-CE1 4.37Å
54I84.3Confident78.8Confident31 Ų3177.1 Ų77.116%0.15942%0.419CS..EExtended strand (participates in β ladder)trans-118.2125.5178.9-53.4175.8000108.5K52 H92 Y93 L95K52-I54 HydrophobicContact CD-CD1 4.47Å; K52-I54 HydrophobicContact CG-CD1 4.46Å; K52-I54 HydrophobicContact CG-CG1 4.07Å; I54-H92 CarbonylContact O-C 3.19Å; I54-H92 WeakPolarHBondContact O-CA 3.44Å; I54-Y93 PolarHBondContact N-O 2.92Å; I54-Y93 PolarHBondContact O-N 2.89Å; I54-L95 HydrophobicContact CD1-CD1 3.99Å; I54-L95 HydrophobicContact CD1-CD2 4.41Å
55K82.1Confident77.4Confident137 Ų13771.3 Ų71.360%0.59639%0.389SS*.EExtended strand (participates in β ladder)trans-78.4130.7179.3-173.8177.8178.5-178.30110.8F34F34-K55 PolarHBondContact O-N 2.99Å; F34-K55 VanDerWaalsContact O-N 3.07Å
56K80.7Confident76Confident45 Ų4571 Ų7120%0.19638%0.383CS..PPolyproline II helixtrans-69132.9173.9-68.3-177.3168.5-1750110.4E88 S89 T91 Y93K56-E88 IonicContact NZ-OE1 3.72Å; K56-E88 PolarHBondContact NZ-OE1 3.08Å; K56-S89 WeakPolarHBondContact CE-O 2.78Å; K56-S89 PolarHBondContact NZ-O 3.22Å; K56-T91 WeakPolarHBondContact CB-O 3.31Å; K56-T91 PolarHBondContact N-O 3.28Å; K56-Y93 HydrophobicContact CD-CE2 4.18Å; K56-Y93 HydrophobicContact CG-CD2 3.99Å; K56-Y93 HydrophobicContact CG-CE2 3.84Å
57S70.5Confident74.5Confident65 Ų6573.7 Ų73.746%0.45539%0.389SS..PPolyproline II helixtrans-100.5126.1175.8179.30000110.2A59 F60S57-A59 PolarHBondContact O-N 3.23Å; S57-A59 PolarHBondContact OG-N 2.88Å; S57-F60 PolarHBondContact O-N 3.49Å
58P61.8Low73Confident141 Ų14169.3 Ų69.392%0.91637%0.371SS*.THydrogen-bonded Turntrans-60.5-16175.7-2333.5000114.7
59A55.1Low71.9Confident92 Ų9265.6 Ų65.676%0.7635%0.351SS*.THydrogen-bonded Turntrans-93.3-10.8-176.300000114.2S57S57-A59 PolarHBondContact O-N 3.23Å; S57-A59 PolarHBondContact OG-N 2.88Å
60F53.3Low70.6Confident150 Ų15066 Ų6666%0.65836%0.358SS*.SBendtrans-110.4127.9-179.2-119.1-97.6000109.9S57 D62S57-F60 PolarHBondContact O-N 3.49Å; F60-D62 PolarHBondContact O-N 2.82Å
61R53Low69.5Low221 Ų22166.7 Ų66.783%0.83436%0.361SS*.  trans-71.9121.2173.3-74.1-179.1172.7178.5-3108.9S63R61-S63 PolarHBondContact O-N 3.1Å
62D59.3Low68.5Low67 Ų6767.3 Ų67.336%0.35836%0.364SS..THydrogen-bonded Turntrans-53.5-23.6-172.8-66.6-74.6000114.8F60 S64 L65 E66 Y93F60-D62 PolarHBondContact O-N 2.82Å; D62-S64 VanDerWaalsContact C-N 3.25Å; D62-S64 PolarHBondContact O-N 2.92Å; D62-S64 VanDerWaalsContact O-N 3.07Å; D62-L65 PolarHBondContact O-N 2.06Å; D62-E66 HydrophobicContact CB-CG 4.4Å; D62-E66 WeakPolarHBondContact O-CG 3.38Å; D62-E66 PolarHBondContact O-N 3.21Å; D62-Y93 PolarHBondContact OD1-OH 2.8Å; D62-Y93 VanDerWaalsContact OD1-OH 3.06Å
63S59.8Low67.9Low65 Ų6570.5 Ų70.546%0.45538%0.378SS..Hα-helixtrans-56.8-26.1-173.860.20000115.7R61 N67R61-S63 PolarHBondContact O-N 3.1Å; S63-N67 WeakPolarHBondContact O-CB 3.45Å; S63-N67 PolarHBondContact O-N 3.1Å; S63-N67 PolarHBondContact O-ND2 2.84Å
64S56.3Low67.2Low62 Ų6277.6 Ų77.643%0.43441%0.407SS..Hα-helixtrans-74.3-41.7174.6600000112.1D62 E68D62-S64 VanDerWaalsContact C-N 3.25Å; D62-S64 PolarHBondContact O-N 2.92Å; D62-S64 VanDerWaalsContact O-N 3.07Å; S64-E68 PolarHBondContact O-N 2.89Å; S64-E68 VanDerWaalsContact O-N 3.08Å
65L66.1Low67.2Low42 Ų4276.5 Ų76.522%0.2240%0.402CS..Hα-helixtrans-74.5-37.3-179.2-179.460.8000111.1D62 N67 E68 I69 Y93D62-L65 PolarHBondContact O-N 2.06Å; L65-N67 VanDerWaalsContact C-N 3.32Å; L65-N67 PolarHBondContact O-N 3.04Å; L65-E68 PolarHBondContact O-N 3.29Å; L65-I69 HydrophobicContact CD1-CD1 3.97Å; L65-I69 HydrophobicContact CD1-CG1 4.11Å; L65-I69 HydrophobicContact CD2-CD1 4.5Å; L65-I69 HydrophobicContact CG-CD1 3.77Å; L65-I69 HydrophobicContact CG-CG1 4.36Å; L65-I69 WeakPolarHBondContact O-CB 3.47Å; L65-I69 WeakPolarHBondContact O-CG1 3.16Å; L65-I69 PolarHBondContact O-N 3.33Å; L65-Y93 HydrophobicContact CD2-CD2 3.58Å; L65-Y93 HydrophobicContact CD2-CE2 3.67Å
66E68.6Low67.4Low67 Ų6778.2 Ų78.231%0.31341%0.41SS..Hα-helixtrans-59.9-41.9173.1-71.9-176.2147.100112.4W12 K13 D62 A70W12-E66 HydrophobicContact CH2-CB 4.48Å; W12-E66 HydrophobicContact CZ2-CB 4.07Å; W12-E66 HydrophobicContact CZ2-CG 4.39Å; K13-E66 IonicContact NZ-OE1 3.02Å; K13-E66 PolarHBondContact NZ-OE1 2.99Å; D62-E66 HydrophobicContact CB-CG 4.4Å; D62-E66 WeakPolarHBondContact O-CG 3.38Å; D62-E66 PolarHBondContact O-N 3.21Å; E66-A70 VanDerWaalsContact O-CB 3.32Å; E66-A70 WeakPolarHBondContact O-CB 3.34Å; E66-A70 PolarHBondContact O-N 2.8Å
67N62.4Low68.1Low89 Ų8977.7 Ų77.748%0.47641%0.407SS..Hα-helixtrans-67.6-43.3176.5-84.8-50.8000112.2S63 L65 A70 V71 M170S63-N67 WeakPolarHBondContact O-CB 3.45Å; S63-N67 PolarHBondContact O-N 3.1Å; S63-N67 PolarHBondContact O-ND2 2.84Å; L65-N67 VanDerWaalsContact C-N 3.32Å; L65-N67 PolarHBondContact O-N 3.04Å; N67-A70 PolarHBondContact O-N 3.16Å; N67-V71 PolarHBondContact O-N 2.89Å; N67-M170 VanDerWaalsContact C-CE 3.45Å; N67-M170 HydrophobicContact CB-CE 3.75Å; N67-M170 VanDerWaalsContact O-CE 3.22Å; N67-M170 WeakPolarHBondContact O-CE 3.32Å
68E64.3Low69.2Low42 Ų4279.8 Ų79.820%0.19641%0.41CS..Hα-helixtrans-57.9-50.1173.9-174.1-173.6157.700111S64 L65 A70 V71 L72 S168S64-E68 PolarHBondContact O-N 2.89Å; S64-E68 VanDerWaalsContact O-N 3.08Å; L65-E68 PolarHBondContact O-N 3.29Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.04Å; E68-V71 WeakPolarHBondContact O-CA 3.12Å; E68-V71 WeakPolarHBondContact O-CB 3.47Å; E68-V71 PolarHBondContact O-N 3.19Å; E68-L72 HydrophobicContact CG-CD1 4.48Å; E68-L72 WeakPolarHBondContact O-CG 3.48Å; E68-L72 PolarHBondContact O-N 3.21Å; E68-S168 PolarHBondContact OE1-OG 3.09Å
69I71.7Confident70.9Confident1 Ų173.3 Ų73.31%0.00537%0.368CS..Hα-helixtrans-62.4-39.3178.7-67.9169.5000112W12 L65 V71 L72 K73 L83 I86 L95W12-I69 HydrophobicContact CE3-CG2 4.29Å; W12-I69 HydrophobicContact CH2-CB 3.84Å; W12-I69 HydrophobicContact CH2-CG2 3.58Å; W12-I69 HydrophobicContact CZ3-CB 4.07Å; W12-I69 HydrophobicContact CZ3-CG2 3.27Å; L65-I69 HydrophobicContact CD1-CD1 3.97Å; L65-I69 HydrophobicContact CD1-CG1 4.11Å; L65-I69 HydrophobicContact CD2-CD1 4.5Å; L65-I69 HydrophobicContact CG-CD1 3.77Å; L65-I69 HydrophobicContact CG-CG1 4.36Å; L65-I69 WeakPolarHBondContact O-CB 3.47Å; L65-I69 WeakPolarHBondContact O-CG1 3.16Å; L65-I69 PolarHBondContact O-N 3.33Å; I69-V71 PolarHBondContact O-N 3.03Å; I69-L72 PolarHBondContact O-N 3.25Å; I69-K73 PolarHBondContact O-N 3.38Å; I69-L83 HydrophobicContact CG2-CD2 4.37Å; I69-I86 HydrophobicContact CG2-CD1 3.06Å; I69-I86 HydrophobicContact CG2-CG1 4.45Å; I69-I86 HydrophobicContact CG2-CG2 4.46Å; I69-L95 HydrophobicContact CD1-CD1 4.3Å
70A69.8Low72.6Confident29 Ų2969 Ų6924%0.2433%0.332CS..Hα-helixtrans-63.5-23175.800000113.1E66 N67 E68E66-A70 VanDerWaalsContact O-CB 3.32Å; E66-A70 WeakPolarHBondContact O-CB 3.34Å; E66-A70 PolarHBondContact O-N 2.8Å; N67-A70 PolarHBondContact O-N 3.16Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.04Å
71V67.9Low74.3Confident26 Ų2662.2 Ų62.216%0.15830%0.303CS..Hα-helixtrans-85.5-40.7171170.80000111.7N67 E68 I69 K73 K74 I75 I139 M170N67-V71 PolarHBondContact O-N 2.89Å; E68-V71 WeakPolarHBondContact O-CA 3.12Å; E68-V71 WeakPolarHBondContact O-CB 3.47Å; E68-V71 PolarHBondContact O-N 3.19Å; I69-V71 PolarHBondContact O-N 3.03Å; V71-K73 PolarHBondContact O-N 2.93Å; V71-K73 VanDerWaalsContact O-N 3.1Å; V71-K74 PolarHBondContact O-N 2.89Å; V71-I75 PolarHBondContact O-N 3.06Å; V71-I139 HydrophobicContact CG1-CD1 3.4Å; V71-I139 HydrophobicContact CG1-CG1 3.61Å; V71-M170 HydrophobicContact CB-CE 4.4Å; V71-M170 HydrophobicContact CG2-CE 3.59Å; V71-M170 HydrophobicContact CG2-CG 4.36Å; V71-M170 HydrophobicContact CG2-SD 3.64Å
72L72.4Confident76Confident14 Ų1453.6 Ų53.67%0.07328%0.275CS..Hα-helixtrans-59.4-20.9173.2-65177.7000113.2E68 I69 I75 L83 F165E68-L72 HydrophobicContact CG-CD1 4.48Å; E68-L72 WeakPolarHBondContact O-CG 3.48Å; E68-L72 PolarHBondContact O-N 3.21Å; I69-L72 PolarHBondContact O-N 3.25Å; L72-I75 HydrophobicContact CB-CD1 4.5Å; L72-I75 HydrophobicContact CD2-CD1 3.61Å; L72-I75 VanDerWaalsContact O-CG1 3.31Å; L72-I75 WeakPolarHBondContact O-CG1 3.22Å; L72-L83 HydrophobicContact CB-CD2 3.51Å; L72-L83 HydrophobicContact CD1-CD2 4.49Å; L72-F165 HydrophobicContact CD1-CB 4.42Å; L72-F165 HydrophobicContact CD2-CB 3.81Å; L72-F165 HydrophobicContact CD2-CD2 3.86Å; L72-F165 HydrophobicContact CD2-CG 3.8Å
73K76.1Confident77.4Confident83 Ų8351.4 Ų51.436%0.36126%0.263SS..THydrogen-bonded Turntrans-75.8-22.2169.8-79.4-159.6170.7-155.80115.3W12 I69 V71 L83 I86W12-K73 HydrophobicContact CE3-CD 4.31Å; W12-K73 PolarHBondContact O-NZ 3.35Å; I69-K73 PolarHBondContact O-N 3.38Å; V71-K73 PolarHBondContact O-N 2.93Å; V71-K73 VanDerWaalsContact O-N 3.1Å; K73-L83 HydrophobicContact CG-CD2 4.36Å; K73-I86 HydrophobicContact CD-CD1 4.16Å; K73-I86 HydrophobicContact CG-CD1 3.88Å
74K76.3Confident78.8Confident160 Ų16053.3 Ų53.370%0.69627%0.265SS*.THydrogen-bonded Turntrans-97.3-23.4-175-66.5176.6-176.7177.60112.3V71 K76V71-K74 PolarHBondContact O-N 2.89Å; K74-K76 PolarHBondContact O-N 3.14Å
75I83.1Confident80.4Confident9 Ų951.6 Ų51.65%0.04625%0.251CS..  trans-66.8129.1173.361.5-180000110.4V71 L72 I80 Y133 L134 I139 F165V71-I75 PolarHBondContact O-N 3.06Å; L72-I75 HydrophobicContact CB-CD1 4.5Å; L72-I75 HydrophobicContact CD2-CD1 3.61Å; L72-I75 VanDerWaalsContact O-CG1 3.31Å; L72-I75 WeakPolarHBondContact O-CG1 3.22Å; I75-I80 HydrophobicContact CD1-CG2 4Å; I75-I80 HydrophobicContact CG1-CG2 4.48Å; I75-Y133 HydrophobicContact CB-CE1 3.87Å; I75-Y133 HydrophobicContact CG2-CE1 4.06Å; I75-L134 HydrophobicContact CD1-CD2 4.31Å; I75-L134 HydrophobicContact CG2-CD2 4.34Å; I75-I139 HydrophobicContact CG2-CD1 3.43Å; I75-I139 VanDerWaalsContact CG2-CD1 3.43Å; I75-F165 HydrophobicContact CD1-CE2 4.26Å; I75-F165 HydrophobicContact CD1-CZ 4.47Å
76K87.8Confident81.5Confident173 Ų17349.6 Ų49.675%0.75224%0.24SC*.  trans-146.5104.5172-173.5179.2-179.4-179.40108.8K74 Y133K74-K76 PolarHBondContact O-N 3.14Å; K76-Y133 PolarHBondContact N-OH 3.25Å
77H93.7Very high82.6Confident33 Ų3347.5 Ų47.515%0.15323%0.23CC..  trans-141.2147.6179.8-176-79.4000108.9N79 I80 S129 A130 Y133H77-N79 WeakPolarHBondContact CE1-CB 3.43Å; H77-N79 PolarHBondContact CE1-OD1 3.44Å; H77-N79 PolarHBondContact ND1-N 3.36Å; H77-N79 PolarHBondContact O-N 2.72Å; H77-I80 HydrophobicContact CB-CB 4.09Å; H77-I80 HydrophobicContact CB-CD1 3.87Å; H77-I80 HydrophobicContact CB-CG1 4.03Å; H77-I80 PolarHBondContact O-N 3Å; H77-S129 WeakPolarHBondContact CE1-CB 3.5Å; H77-S129 PolarHBondContact CE1-OG 3.16Å; H77-S129 VanDerWaalsContact CE1-OG 3.23Å; H77-S129 WeakPolarHBondContact NE2-CB 3.45Å; H77-S129 PolarHBondContact NE2-O 3.17Å; H77-S129 VanDerWaalsContact NE2-O 3.1Å; H77-S129 PolarHBondContact NE2-OG 3.45Å; H77-A130 PolarHBondContact CE1-N 3.38Å; H77-A130 VanDerWaalsContact CE1-N 3.3Å; H77-Y133 HydrophobicContact CB-CD1 3.79Å; H77-Y133 HydrophobicContact CB-CE1 4.07Å; H77-Y133 HydrophobicContact CB-CG 4.19Å; H77-Y133 AromaticContact CD2-CG 3.91Å
78E95.3Very high83.9Confident110 Ų11044 Ų4451%0.51421%0.21SC..THydrogen-bonded Turntrans-68.1-20.5-172.666.6-173.4113.400114.6K159 M161E78-K159 IonicContact OE2-NZ 2.6Å; E78-K159 PolarHBondContact OE2-NZ 3.41Å; E78-M161 VanDerWaalsContact O-SD 3.36Å
79N95.9Very high85.1Confident4 Ų442.5 Ų42.52%0.02121%0.205CC..THydrogen-bonded Turntrans-108.419.3178.1-60.2116.6000112.3H77 Q126 A130 I160 I162H77-N79 WeakPolarHBondContact CE1-CB 3.43Å; H77-N79 PolarHBondContact CE1-OD1 3.44Å; H77-N79 PolarHBondContact ND1-N 3.36Å; H77-N79 PolarHBondContact O-N 2.72Å; N79-Q126 PolarHBondContact ND2-OE1 3.23Å; N79-A130 HydrophobicContact CB-CB 4Å; N79-I160 WeakPolarHBondContact CA-O 3.41Å; N79-I160 WeakPolarHBondContact CB-O 3.42Å; N79-I160 PolarHBondContact ND2-O 2.85Å; N79-I162 PolarHBondContact O-N 3.08Å
80I91.9Very high85.8Confident2 Ų249 Ų491%0.0124%0.244CC..BIsolated β-bridgetrans-123.1133.3177.3-72.7-178.2000109.3I75 H77 T82 A130 Y133 L134 M161 F165I75-I80 HydrophobicContact CD1-CG2 4Å; I75-I80 HydrophobicContact CG1-CG2 4.48Å; H77-I80 HydrophobicContact CB-CB 4.09Å; H77-I80 HydrophobicContact CB-CD1 3.87Å; H77-I80 HydrophobicContact CB-CG1 4.03Å; H77-I80 PolarHBondContact O-N 3Å; I80-T82 PolarHBondContact O-N 3.39Å; I80-A130 HydrophobicContact CD1-CB 4.08Å; I80-A130 HydrophobicContact CG1-CB 3.73Å; I80-Y133 HydrophobicContact CD1-CD1 4.06Å; I80-L134 HydrophobicContact CD1-CD1 4.22Å; I80-L134 HydrophobicContact CD1-CD2 3.81Å; I80-L134 HydrophobicContact CD1-CG 3.77Å; I80-M161 WeakPolarHBondContact O-CE 3.38Å; I80-F165 HydrophobicContact CB-CZ 4.47Å; I80-F165 HydrophobicContact CG1-CZ 4.36Å; I80-F165 HydrophobicContact CG2-CE2 3.83Å; I80-F165 HydrophobicContact CG2-CZ 3.64Å
81V89.4Confident86.6Confident7 Ų751.1 Ų51.14%0.04226%0.255CS..  trans-61121.7174.962.70000111.1M97 Q98 V100 I162 T163 F165V81-M97 HydrophobicContact CB-CE 4.45Å; V81-M97 HydrophobicContact CG1-CE 3.47Å; V81-M97 VanDerWaalsContact CG1-CE 3.47Å; V81-M97 HydrophobicContact CG2-CB 4.14Å; V81-M97 HydrophobicContact CG2-CE 4.1Å; V81-Q98 HydrophobicContact CG2-CB 3.98Å; V81-Q98 VanDerWaalsContact CG2-O 3.29Å; V81-Q98 WeakPolarHBondContact CG2-O 3.4Å; V81-V100 HydrophobicContact CG2-CG2 4.24Å; V81-I162 WeakPolarHBondContact CG1-O 3.4Å; V81-I162 PolarHBondContact N-O 2.94Å; V81-T163 HydrophobicContact CB-CG2 4.42Å; V81-F165 HydrophobicContact CG1-CD2 4.42Å; V81-F165 HydrophobicContact CG1-CE2 3.81Å
82T87.9Confident87.5Confident41 Ų4152.5 Ų52.525%0.25226%0.259SS..  trans-73.2135.4-177.4-55.90000111.4I80 M97 Q98I80-T82 PolarHBondContact O-N 3.39Å; T82-M97 WeakPolarHBondContact O-CA 3.48Å; T82-Q98 VanDerWaalsContact N-OE1 3.1Å; T82-Q98 PolarHBondContact O-N 3.03Å; T82-Q98 PolarHBondContact OG1-OE1 3.2Å
83L88Confident88.2Confident21 Ų2151.9 Ų51.911%0.1126%0.256CS..EExtended strand (participates in β ladder)trans-91.199.6170-177.456.2000109.8I69 L72 K73 I86 L95 M97I69-L83 HydrophobicContact CG2-CD2 4.37Å; L72-L83 HydrophobicContact CB-CD2 3.51Å; L72-L83 HydrophobicContact CD1-CD2 4.49Å; K73-L83 HydrophobicContact CG-CD2 4.36Å; L83-I86 HydrophobicContact CD1-CD1 4.29Å; L83-I86 HydrophobicContact CD1-CG1 4.17Å; L83-I86 HydrophobicContact CD2-CD1 3.57Å; L83-I86 HydrophobicContact CD2-CG1 4.3Å; L83-I86 HydrophobicContact CG-CD1 3.99Å; L83-I86 HydrophobicContact CG-CG1 4.19Å; L83-L95 HydrophobicContact CD1-CB 3.77Å; L83-L95 HydrophobicContact CD1-CD2 4.32Å; L83-L95 HydrophobicContact CD1-CG 4.01Å; L83-M97 HydrophobicContact CD1-CG 4.11Å
84E89.1Confident88.9Confident105 Ų10549.3 Ų49.349%0.49124%0.244SC..EExtended strand (participates in β ladder)trans-76.9-45.1-171.3-65.4-82-166.300112.3F49 V96F49-E84 HydrophobicContact CD1-CG 4.19Å; F49-E84 HydrophobicContact CE1-CB 4.28Å; F49-E84 HydrophobicContact CE1-CG 3.88Å; E84-V96 HydrophobicContact CB-CG1 4.36Å; E84-V96 WeakPolarHBondContact CB-O 3.48Å; E84-V96 PolarHBondContact N-O 2.55Å
85D90Very high89.5Confident26 Ų2642.1 Ų42.114%0.13921%0.213CC..EExtended strand (participates in β ladder)trans-158.4155-168.3-131-19.9000111.7K14 Y87 V96K14-D85 WeakPolarHBondContact CD-OD1 3.19Å; K14-D85 WeakPolarHBondContact CE-OD1 3.46Å; K14-D85 IonicContact NZ-OD1 2.73Å; K14-D85 PolarHBondContact NZ-OD1 2.88Å; K14-D85 IonicContact NZ-OD2 2.67Å; K14-D85 PolarHBondContact NZ-OD2 3.25Å; D85-Y87 HydrophobicContact CB-CE2 4.15Å; D85-V96 HydrophobicContact CB-CB 3.79Å; D85-V96 HydrophobicContact CB-CG1 4.41Å; D85-V96 HydrophobicContact CB-CG2 3.84Å; D85-V96 PolarHBondContact N-O 2.94Å; D85-V96 WeakPolarHBondContact O-CA 3.47Å; D85-V96 VanDerWaalsContact O-CB 3.29Å; D85-V96 WeakPolarHBondContact O-CB 3.35Å; D85-V96 WeakPolarHBondContact O-CG2 3.46Å; D85-V96 PolarHBondContact O-N 3.01Å
86I89.8Confident90Very high0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-140124.2-173.8-44.8-170.1000110.6W12 K13 K14 I69 K73 L83 Y94W12-I86 HydrophobicContact CE3-CD1 4.26Å; W12-I86 HydrophobicContact CZ3-CD1 3.95Å; W12-I86 HydrophobicContact CZ3-CG2 4.33Å; K13-I86 HydrophobicContact CG-CG2 4.47Å; K14-I86 WeakPolarHBondContact CB-O 3.3Å; K14-I86 PolarHBondContact N-O 3.07Å; I69-I86 HydrophobicContact CG2-CD1 3.06Å; I69-I86 HydrophobicContact CG2-CG1 4.45Å; I69-I86 HydrophobicContact CG2-CG2 4.46Å; K73-I86 HydrophobicContact CD-CD1 4.16Å; K73-I86 HydrophobicContact CG-CD1 3.88Å; L83-I86 HydrophobicContact CD1-CD1 4.29Å; L83-I86 HydrophobicContact CD1-CG1 4.17Å; L83-I86 HydrophobicContact CD2-CD1 3.57Å; L83-I86 HydrophobicContact CD2-CG1 4.3Å; L83-I86 HydrophobicContact CG-CD1 3.99Å; L83-I86 HydrophobicContact CG-CG1 4.19Å; I86-Y94 WeakPolarHBondContact CA-O 3.33Å
87Y91.6Very high90.1Very high22 Ų2234.6 Ų34.69%0.08618%0.181CC..EExtended strand (participates in β ladder)trans-114.8148.8175.7-60.7-99.7000110.9K14 T16 I19 T22 F23 D85 Y94 V96K14-Y87 HydrophobicContact CB-CD1 3.51Å; K14-Y87 HydrophobicContact CB-CE1 3.64Å; K14-Y87 HydrophobicContact CB-CG 4.16Å; K14-Y87 HydrophobicContact CD-CD1 4.39Å; K14-Y87 HydrophobicContact CD-CE1 3.72Å; K14-Y87 HydrophobicContact CD-CE2 4.36Å; K14-Y87 HydrophobicContact CG-CE1 4.3Å; K14-Y87 WeakPolarHBondContact O-CA 3.29Å; T16-Y87 HydrophobicContact CG2-CD1 4.36Å; I19-Y87 HydrophobicContact CD1-CD1 4.17Å; I19-Y87 HydrophobicContact CD1-CD2 3.92Å; I19-Y87 HydrophobicContact CD1-CG 3.68Å; T22-Y87 HydrophobicContact CG2-CE1 4.44Å; F23-Y87 HydrophobicContact CE2-CD2 4.17Å; F23-Y87 AromaticContact CE2-CE2 3.73Å; F23-Y87 HydrophobicContact CE2-CE2 3.73Å; F23-Y87 HydrophobicContact CZ-CE2 4.14Å; D85-Y87 HydrophobicContact CB-CE2 4.15Å; Y87-Y94 PolarHBondContact N-O 2.78Å; Y87-Y94 PolarHBondContact O-N 2.81Å; Y87-V96 HydrophobicContact CD2-CG2 3.87Å; Y87-V96 HydrophobicContact CE2-CG2 3.81Å
88E89.6Confident90Very high15 Ų1535.2 Ų35.27%0.0718%0.184CC..EExtended strand (participates in β ladder)trans-128.9140.2179.5179.9170.2-144.200109.9K13 K14 Q15 T16 K56 Y93K13-E88 HydrophobicContact CB-CB 4.26Å; K13-E88 HydrophobicContact CD-CB 4.36Å; K13-E88 VanDerWaalsContact CD-OE2 3.26Å; K13-E88 WeakPolarHBondContact CD-OE2 3.13Å; K13-E88 WeakPolarHBondContact CE-OE2 3.46Å; K13-E88 IonicContact NZ-OE1 2.77Å; K13-E88 PolarHBondContact NZ-OE1 2.98Å; K13-E88 IonicContact NZ-OE2 3.3Å; K13-E88 PolarHBondContact NZ-OE2 3.47Å; K14-E88 PolarHBondContact O-N 2.95Å; Q15-E88 PolarHBondContact NE2-OE2 3.47Å; Q15-E88 PolarHBondContact OE1-O 3.4Å; T16-E88 PolarHBondContact N-O 2.92Å; K56-E88 IonicContact NZ-OE1 3.72Å; K56-E88 PolarHBondContact NZ-OE1 3.08Å; E88-Y93 HydrophobicContact CB-CD1 4.35Å; E88-Y93 HydrophobicContact CB-CE1 4.41Å; E88-Y93 HydrophobicContact CG-CD1 4.18Å; E88-Y93 HydrophobicContact CG-CE1 3.9Å; E88-Y93 WeakPolarHBondContact OE1-CE1 3.48Å; E88-Y93 PolarHBondContact OE1-OH 2.81Å
89S89.9Confident89.9Confident12 Ų1232 Ų328%0.08417%0.17CC..  trans-123.1178.8164.770.50000110.1T16 K56 T91 H92T16-S89 WeakPolarHBondContact O-CB 3.34Å; K56-S89 WeakPolarHBondContact CE-O 2.78Å; K56-S89 PolarHBondContact NZ-O 3.22Å; S89-T91 PolarHBondContact O-N 3.05Å; S89-T91 VanDerWaalsContact O-N 3.16Å; S89-T91 PolarHBondContact OG-N 2.92Å; S89-H92 PolarHBondContact N-O 2.92Å; S89-H92 PolarHBondContact OG-N 3.44Å; S89-H92 PolarHBondContact OG-O 2.92Å
90T86.9Confident89.6Confident136 Ų13633 Ų3383%0.83418%0.176SC*.SBendtrans-59.9-20.817352.40000113.6
91T85.8Confident89.4Confident74 Ų7436.3 Ų36.345%0.45420%0.2SC..SBendtrans-125.3-15.7-171.652.80000114.9K56 S89K56-T91 WeakPolarHBondContact CB-O 3.31Å; K56-T91 PolarHBondContact N-O 3.28Å; S89-T91 PolarHBondContact O-N 3.05Å; S89-T91 VanDerWaalsContact O-N 3.16Å; S89-T91 PolarHBondContact OG-N 2.92Å
92H87.6Confident89.4Confident55 Ų5536.2 Ų36.226%0.25520%0.2SC..EExtended strand (participates in β ladder)trans-145.7150.4-173.5-64.381.6000112.5I54 S89 Y94I54-H92 CarbonylContact O-C 3.19Å; I54-H92 WeakPolarHBondContact O-CA 3.44Å; S89-H92 PolarHBondContact N-O 2.92Å; S89-H92 PolarHBondContact OG-N 3.44Å; S89-H92 PolarHBondContact OG-O 2.92Å; H92-Y94 HydrophobicContact CB-CE1 3.98Å; H92-Y94 HydrophobicContact CB-CE2 4.05Å
93Y86.9Confident89.3Confident1 Ų136.1 Ų36.10%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-95.9145.5157.2-67.4-73.4000109.6K13 I54 K56 D62 L65 E88K13-Y93 HydrophobicContact CD-CD1 4.45Å; K13-Y93 HydrophobicContact CD-CE1 3.91Å; I54-Y93 PolarHBondContact N-O 2.92Å; I54-Y93 PolarHBondContact O-N 2.89Å; K56-Y93 HydrophobicContact CD-CE2 4.18Å; K56-Y93 HydrophobicContact CG-CD2 3.99Å; K56-Y93 HydrophobicContact CG-CE2 3.84Å; D62-Y93 PolarHBondContact OD1-OH 2.8Å; D62-Y93 VanDerWaalsContact OD1-OH 3.06Å; L65-Y93 HydrophobicContact CD2-CD2 3.58Å; L65-Y93 HydrophobicContact CD2-CE2 3.67Å; E88-Y93 HydrophobicContact CB-CD1 4.35Å; E88-Y93 HydrophobicContact CB-CE1 4.41Å; E88-Y93 HydrophobicContact CG-CD1 4.18Å; E88-Y93 HydrophobicContact CG-CE1 3.9Å; E88-Y93 WeakPolarHBondContact OE1-CE1 3.48Å; E88-Y93 PolarHBondContact OE1-OH 2.81Å
94Y90.4Very high89.3Confident29 Ų2938.3 Ų38.311%0.11422%0.217CC..EExtended strand (participates in β ladder)trans-127.7110.8174.6-49.5-82.7000109T16 I19 K52 C53 I86 Y87 H92T16-Y94 HydrophobicContact CG2-CD2 4.3Å; T16-Y94 HydrophobicContact CG2-CE2 4.16Å; I19-Y94 HydrophobicContact CB-CD1 4.45Å; I19-Y94 HydrophobicContact CB-CD2 4.27Å; I19-Y94 HydrophobicContact CB-CE1 4.28Å; I19-Y94 HydrophobicContact CB-CE2 4.07Å; I19-Y94 HydrophobicContact CB-CG 4.44Å; I19-Y94 HydrophobicContact CD1-CD2 4.23Å; I19-Y94 HydrophobicContact CD1-CG 4.23Å; I19-Y94 HydrophobicContact CG1-CD1 4.15Å; I19-Y94 HydrophobicContact CG1-CD2 4.2Å; I19-Y94 HydrophobicContact CG1-CE1 4.48Å; I19-Y94 HydrophobicContact CG1-CE2 4.49Å; I19-Y94 HydrophobicContact CG1-CG 4.01Å; I19-Y94 HydrophobicContact CG2-CD1 4.26Å; I19-Y94 HydrophobicContact CG2-CE1 3.78Å; I19-Y94 HydrophobicContact CG2-CE2 4.31Å; K52-Y94 WeakPolarHBondContact O-CA 3.48Å; C53-Y94 HydrophobicContact CB-CD1 4.18Å; C53-Y94 HydrophobicContact CB-CE1 4.37Å; I86-Y94 WeakPolarHBondContact CA-O 3.33Å; Y87-Y94 PolarHBondContact N-O 2.78Å; Y87-Y94 PolarHBondContact O-N 2.81Å; H92-Y94 HydrophobicContact CB-CE1 3.98Å; H92-Y94 HydrophobicContact CB-CE2 4.05Å
95L89.4Confident89.3Confident9 Ų933.3 Ų33.35%0.04719%0.194CC..EExtended strand (participates in β ladder)trans-95.5114.9177.3-76.864.5000107.8L51 K52 I54 I69 L83 M97L51-L95 WeakPolarHBondContact CA-O 3.41Å; K52-L95 HydrophobicContact CB-CB 4.33Å; K52-L95 PolarHBondContact N-O 3.33Å; K52-L95 PolarHBondContact O-N 3.05Å; I54-L95 HydrophobicContact CD1-CD1 3.99Å; I54-L95 HydrophobicContact CD1-CD2 4.41Å; I69-L95 HydrophobicContact CD1-CD1 4.3Å; L83-L95 HydrophobicContact CD1-CB 3.77Å; L83-L95 HydrophobicContact CD1-CD2 4.32Å; L83-L95 HydrophobicContact CD1-CG 4.01Å; L95-M97 HydrophobicContact CB-CG 4.21Å; L95-M97 HydrophobicContact CB-SD 4.4Å; L95-M97 PolarHBondContact O-N 3.3Å
96V92.3Very high89.2Confident2 Ų232.2 Ų32.21%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-85.7108.1174-1720000107.3F23 F49 L51 E84 D85 Y87F23-V96 HydrophobicContact CE1-CG1 4.27Å; F23-V96 HydrophobicContact CE2-CG2 3.93Å; F23-V96 HydrophobicContact CZ-CG1 4.03Å; F23-V96 HydrophobicContact CZ-CG2 3.61Å; F49-V96 HydrophobicContact CB-CG1 3.75Å; F49-V96 HydrophobicContact CD1-CG1 3.69Å; F49-V96 HydrophobicContact CD2-CG1 4.1Å; F49-V96 HydrophobicContact CE1-CG1 4.28Å; F49-V96 HydrophobicContact CG-CG1 3.57Å; L51-V96 HydrophobicContact CD1-CB 4.37Å; L51-V96 HydrophobicContact CD1-CG2 3.66Å; E84-V96 HydrophobicContact CB-CG1 4.36Å; E84-V96 WeakPolarHBondContact CB-O 3.48Å; E84-V96 PolarHBondContact N-O 2.55Å; D85-V96 HydrophobicContact CB-CB 3.79Å; D85-V96 HydrophobicContact CB-CG1 4.41Å; D85-V96 HydrophobicContact CB-CG2 3.84Å; D85-V96 PolarHBondContact N-O 2.94Å; D85-V96 WeakPolarHBondContact O-CA 3.47Å; D85-V96 VanDerWaalsContact O-CB 3.29Å; D85-V96 WeakPolarHBondContact O-CB 3.35Å; D85-V96 WeakPolarHBondContact O-CG2 3.46Å; D85-V96 PolarHBondContact O-N 3.01Å; Y87-V96 HydrophobicContact CD2-CG2 3.87Å; Y87-V96 HydrophobicContact CE2-CG2 3.81Å
97M91.3Very high89.1Confident23 Ų2334.8 Ų34.811%0.11320%0.202CC..EExtended strand (participates in β ladder)trans-111150.1-174.8-57.4177.470.100109.8A50 K52 V81 T82 L83 L95 L99A50-M97 HydrophobicContact CB-CB 4.4Å; A50-M97 PolarHBondContact N-O 3.23Å; A50-M97 WeakPolarHBondContact O-CA 3.39Å; A50-M97 WeakPolarHBondContact O-CB 3.27Å; A50-M97 PolarHBondContact O-N 2.99Å; K52-M97 HydrophobicContact CB-SD 4.05Å; V81-M97 HydrophobicContact CB-CE 4.45Å; V81-M97 HydrophobicContact CG1-CE 3.47Å; V81-M97 VanDerWaalsContact CG1-CE 3.47Å; V81-M97 HydrophobicContact CG2-CB 4.14Å; V81-M97 HydrophobicContact CG2-CE 4.1Å; T82-M97 WeakPolarHBondContact O-CA 3.48Å; L83-M97 HydrophobicContact CD1-CG 4.11Å; L95-M97 HydrophobicContact CB-CG 4.21Å; L95-M97 HydrophobicContact CB-SD 4.4Å; L95-M97 PolarHBondContact O-N 3.3Å; M97-L99 PolarHBondContact O-N 2.82Å
98Q91.6Very high89Confident46 Ų4634.7 Ų34.722%0.21520%0.201CC..  trans-51.3130.8169.4176.1-179.16.100110V81 T82V81-Q98 HydrophobicContact CG2-CB 3.98Å; V81-Q98 VanDerWaalsContact CG2-O 3.29Å; V81-Q98 WeakPolarHBondContact CG2-O 3.4Å; T82-Q98 VanDerWaalsContact N-OE1 3.1Å; T82-Q98 PolarHBondContact O-N 3.03Å; T82-Q98 PolarHBondContact OG1-OE1 3.2Å
99L91.7Very high89.1Confident41 Ų4134 Ų3422%0.21520%0.198CC..  trans-73132.8174.9-177.564000109.8L29 L39 L48 A50 M97L29-L99 HydrophobicContact CD1-CD1 3.92Å; L39-L99 HydrophobicContact CD1-CD1 3.82Å; L39-L99 HydrophobicContact CD1-CD2 3.55Å; L39-L99 HydrophobicContact CD1-CG 4.33Å; L48-L99 HydrophobicContact CB-CD2 3.85Å; L48-L99 HydrophobicContact CD1-CD2 4.41Å; A50-L99 HydrophobicContact CB-CD1 4.35Å; M97-L99 PolarHBondContact O-N 2.82Å
100V90.8Very high89.1Confident26 Ų2635.4 Ų35.416%0.15820%0.204CC..  trans-117.5122.8175.9177.10000106.5V81 L150 Y151 L152 M161 T163V81-V100 HydrophobicContact CG2-CG2 4.24Å; V100-L150 HydrophobicContact CG1-CB 3.52Å; V100-L150 HydrophobicContact CG1-CD1 4.39Å; V100-Y151 WeakPolarHBondContact CG1-O 3.38Å; V100-L152 HydrophobicContact CG2-CD1 4.39Å; V100-M161 HydrophobicContact CG1-CB 4.24Å; V100-M161 HydrophobicContact CG1-CG 4.15Å; V100-M161 HydrophobicContact CG2-CB 4.21Å; V100-M161 HydrophobicContact CG2-CG 4.13Å; V100-T163 HydrophobicContact CG2-CG2 4.31Å
101S88.1Confident89.2Confident72 Ų7235.8 Ų35.850%0.50320%0.196SC..  trans-134.98.8-164.961.50000115L152S101-L152 PolarHBondContact N-O 3.42Å; S101-L152 PolarHBondContact OG-O 2.65Å
102G87.8Confident89.1Confident5 Ų535.5 Ų35.55%0.05219%0.187CC..SBendtrans-86.63.2-179.900000116.2R108 Y151 T153G102-R108 VanDerWaalsContact O-CD 3.24Å; G102-R108 WeakPolarHBondContact O-CD 3.21Å; G102-R108 WeakPolarHBondContact O-CG 3.19Å; G102-R108 PolarHBondContact O-NH1 3.26Å; G102-Y151 WeakPolarHBondContact CA-O 3.43Å; G102-Y151 PolarHBondContact N-O 3.05Å; G102-T153 WeakPolarHBondContact CA-O 3.36Å
103G87Confident89.1Confident39 Ų3935 Ų3540%0.40220%0.197SC..  trans85.5173.5179.100000115L150 Y151G103-L150 WeakPolarHBondContact O-CA 3.47Å; G103-Y151 PolarHBondContact O-N 2.93Å
104E87.8Confident89.5Confident66 Ų6638.6 Ų38.631%0.30822%0.219SC..BIsolated β-bridgetrans-69.9149.6177.7-70.2179.2-150.200112.2F106 D107 R108 L150E104-F106 VanDerWaalsContact C-N 3.35Å; E104-F106 PolarHBondContact O-N 3.43Å; E104-D107 HydrophobicContact CB-CB 4.39Å; E104-D107 PolarHBondContact O-N 2.78Å; E104-R108 WeakPolarHBondContact O-CB 3.46Å; E104-R108 PolarHBondContact O-N 3.32Å; E104-L150 HydrophobicContact CB-CD2 4.23Å; E104-L150 HydrophobicContact CG-CD2 3.7Å
105L88.5Confident89.8Confident0 Ų037.3 Ų37.30%021%0.214CC..Hα-helixtrans-51.5-47.6-180175.854.2000113.6I109 V123 L149 Y151 I160 L212L105-I109 HydrophobicContact CD1-CD1 4.11Å; L105-I109 HydrophobicContact CG-CD1 4.37Å; L105-I109 WeakPolarHBondContact O-CG1 3.4Å; L105-I109 PolarHBondContact O-N 3.08Å; L105-V123 HydrophobicContact CD1-CG1 3.86Å; L105-V123 HydrophobicContact CD1-CG2 4.27Å; L105-V123 HydrophobicContact CD2-CG1 4.15Å; L105-L149 HydrophobicContact CB-CB 4.25Å; L105-L149 WeakPolarHBondContact CB-O 3.48Å; L105-L149 HydrophobicContact CD2-CB 4.04Å; L105-L149 HydrophobicContact CD2-CD1 3.76Å; L105-L149 PolarHBondContact N-O 3.43Å; L105-L149 VanDerWaalsContact N-O 3.14Å; L105-Y151 HydrophobicContact CD1-CE2 3.87Å; L105-I160 HydrophobicContact CB-CD1 4.31Å; L105-I160 HydrophobicContact CD1-CD1 4.13Å; L105-L212 HydrophobicContact CD1-CD2 4.22Å; L105-L212 HydrophobicContact CD2-CD1 4.46Å; L105-L212 HydrophobicContact CD2-CD2 3.97Å; L105-L212 HydrophobicContact CG-CD2 4.07Å
106F87.9Confident90.2Very high3 Ų337.6 Ų37.61%0.01322%0.216CC..Hα-helixtrans-79.5-37-176.2-74.5-57.2000114.2E104 R108 I109 L110 P146 I211 L212 I295 F299E104-F106 VanDerWaalsContact C-N 3.35Å; E104-F106 PolarHBondContact O-N 3.43Å; F106-R108 VanDerWaalsContact C-N 3.26Å; F106-R108 PolarHBondContact O-N 3.41Å; F106-I109 HydrophobicContact CD1-CD1 3.92Å; F106-I109 HydrophobicContact CE1-CD1 4.23Å; F106-I109 PolarHBondContact O-N 2.89Å; F106-I109 VanDerWaalsContact O-N 3.11Å; F106-L110 WeakPolarHBondContact O-CG 3.5Å; F106-L110 PolarHBondContact O-N 2.73Å; F106-L110 VanDerWaalsContact O-N 3.07Å; F106-P146 HydrophobicContact CD2-CB 3.68Å; F106-P146 HydrophobicContact CD2-CG 4.26Å; F106-P146 HydrophobicContact CE2-CB 3.39Å; F106-P146 HydrophobicContact CE2-CG 3.51Å; F106-P146 HydrophobicContact CZ-CG 4.44Å; F106-I211 HydrophobicContact CE1-CG2 3.92Å; F106-I211 HydrophobicContact CE2-CG2 3.93Å; F106-I211 HydrophobicContact CZ-CB 3.9Å; F106-I211 HydrophobicContact CZ-CG2 3.31Å; F106-L212 HydrophobicContact CD1-CD2 4.46Å; F106-L212 HydrophobicContact CE1-CD2 3.72Å; F106-L212 HydrophobicContact CE1-CG 4.34Å; F106-L212 HydrophobicContact CZ-CD2 4.18Å; F106-L212 HydrophobicContact CZ-CG 4.45Å; F106-I295 HydrophobicContact CB-CG2 4.17Å; F106-I295 HydrophobicContact CD1-CD1 3.59Å; F106-I295 HydrophobicContact CD1-CG1 4.05Å; F106-I295 HydrophobicContact CE1-CD1 4.14Å; F106-I295 HydrophobicContact CE1-CG1 4.44Å; F106-F299 AromaticContact CD2-CE1 3.65Å; F106-F299 HydrophobicContact CD2-CE1 3.65Å; F106-F299 AromaticContact CD2-CE2 3.83Å; F106-F299 HydrophobicContact CD2-CE2 3.83Å; F106-F299 AromaticContact CD2-CZ 3.21Å; F106-F299 HydrophobicContact CD2-CZ 3.21Å; F106-F299 HydrophobicContact CE2-CE1 4.19Å; F106-F299 AromaticContact CE2-CE2 3.97Å; F106-F299 HydrophobicContact CE2-CE2 3.97Å; F106-F299 AromaticContact CE2-CZ 3.38Å; F106-F299 HydrophobicContact CE2-CZ 3.38Å; F106-F299 HydrophobicContact CG-CE1 4.45Å; F106-F299 HydrophobicContact CG-CE2 4.26Å; F106-F299 HydrophobicContact CG-CZ 4.03Å; F106-F299 HydrophobicContact CZ-CZ 4.33Å
107D88.6Confident90.5Very high55 Ų5537.6 Ų37.629%0.29422%0.215SC..Hα-helixtrans-61.5-41.2174.9-70.5-15.6000109.1E104 I109 L110 E111 K303E104-D107 HydrophobicContact CB-CB 4.39Å; E104-D107 PolarHBondContact O-N 2.78Å; D107-I109 PolarHBondContact O-N 2.83Å; D107-L110 WeakPolarHBondContact O-CB 3.24Å; D107-L110 PolarHBondContact O-N 3.48Å; D107-E111 WeakPolarHBondContact O-CG 3.21Å; D107-E111 PolarHBondContact O-N 3.14Å; D107-K303 IonicContact OD1-NZ 3.32Å; D107-K303 PolarHBondContact OD1-NZ 2.91Å; D107-K303 VanDerWaalsContact OD1-NZ 3.11Å; D107-K303 IonicContact OD2-NZ 2.92Å; D107-K303 PolarHBondContact OD2-NZ 3.43Å
108R90.1Very high90.8Very high19 Ų1938.3 Ų38.37%0.07222%0.218CC..Hα-helixtrans-64.1-31.7172.3-77.3-71.2-63.7-86.94114.6G102 E104 F106 E111 R112 Y151 T153 E155G102-R108 VanDerWaalsContact O-CD 3.24Å; G102-R108 WeakPolarHBondContact O-CD 3.21Å; G102-R108 WeakPolarHBondContact O-CG 3.19Å; G102-R108 PolarHBondContact O-NH1 3.26Å; E104-R108 WeakPolarHBondContact O-CB 3.46Å; E104-R108 PolarHBondContact O-N 3.32Å; F106-R108 VanDerWaalsContact C-N 3.26Å; F106-R108 PolarHBondContact O-N 3.41Å; R108-E111 WeakPolarHBondContact CD-OE2 3.44Å; R108-E111 PolarHBondContact O-N 2.98Å; R108-R112 WeakPolarHBondContact O-CG 3.49Å; R108-Y151 HydrophobicContact CB-CD2 3.75Å; R108-Y151 HydrophobicContact CB-CE2 3.56Å; R108-Y151 HydrophobicContact CG-CD2 3.62Å; R108-Y151 HydrophobicContact CG-CE2 4Å; R108-Y151 HydrophobicContact CG-CG 4.41Å; R108-T153 PolarHBondContact NH1-O 2.85Å; R108-E155 PolarHBondContact NH2-O 3.3Å
109I90Very high91.1Very high1 Ų138 Ų381%0.00522%0.218CC..Hα-helixtrans-67.1-41.3173.3-73.1164.2000110.5L105 F106 D107 E111 R112 Y115 L212 Y288 I295L105-I109 HydrophobicContact CD1-CD1 4.11Å; L105-I109 HydrophobicContact CG-CD1 4.37Å; L105-I109 WeakPolarHBondContact O-CG1 3.4Å; L105-I109 PolarHBondContact O-N 3.08Å; F106-I109 HydrophobicContact CD1-CD1 3.92Å; F106-I109 HydrophobicContact CE1-CD1 4.23Å; F106-I109 PolarHBondContact O-N 2.89Å; F106-I109 VanDerWaalsContact O-N 3.11Å; D107-I109 PolarHBondContact O-N 2.83Å; I109-E111 PolarHBondContact O-N 3.43Å; I109-R112 PolarHBondContact O-N 3.48Å; I109-Y115 HydrophobicContact CD1-CE2 4.03Å; I109-Y115 HydrophobicContact CG1-CD2 4.27Å; I109-Y115 HydrophobicContact CG1-CE2 3.82Å; I109-Y115 HydrophobicContact CG2-CD1 4.27Å; I109-Y115 HydrophobicContact CG2-CD2 4.23Å; I109-Y115 HydrophobicContact CG2-CE1 4.43Å; I109-Y115 HydrophobicContact CG2-CE2 4.39Å; I109-Y115 HydrophobicContact CG2-CG 4.16Å; I109-L212 HydrophobicContact CD1-CD2 3.37Å; I109-Y288 WeakPolarHBondContact O-CE2 3.43Å; I109-I295 HydrophobicContact CG2-CD1 3.93Å
110L90Very high91.4Very high41 Ų4136.1 Ų36.122%0.21521%0.208CC..Hα-helixtrans-63.5-27.4176.6-65.6177.9000113F106 D107 Y288 I295 Q296F106-L110 WeakPolarHBondContact O-CG 3.5Å; F106-L110 PolarHBondContact O-N 2.73Å; F106-L110 VanDerWaalsContact O-N 3.07Å; D107-L110 WeakPolarHBondContact O-CB 3.24Å; D107-L110 PolarHBondContact O-N 3.48Å; L110-Y288 PolarHBondContact O-OH 2.91Å; L110-I295 HydrophobicContact CD1-CG2 3.94Å; L110-I295 HydrophobicContact CD2-CB 4.12Å; L110-I295 HydrophobicContact CD2-CG2 4.01Å; L110-I295 HydrophobicContact CG-CG2 4.04Å; L110-Q296 HydrophobicContact CD1-CG 4.09Å; L110-Q296 HydrophobicContact CD2-CG 3.91Å
111E89.5Confident91.8Very high144 Ų14434.9 Ų34.967%0.67320%0.2SC*.Hα-helixtrans-78.8-21.3179.5-71.2171.6-179.700114.2D107 R108 I109 G113D107-E111 WeakPolarHBondContact O-CG 3.21Å; D107-E111 PolarHBondContact O-N 3.14Å; R108-E111 WeakPolarHBondContact CD-OE2 3.44Å; R108-E111 PolarHBondContact O-N 2.98Å; I109-E111 PolarHBondContact O-N 3.43Å; E111-G113 PolarHBondContact O-N 2.91Å
112R84.1Confident92.3Very high69 Ų6935 Ų3526%0.2620%0.195SC..SBendtrans-71.7-29.6-171.3-70.6178.676.379.113.8114.9R108 I109 V114 E156R108-R112 WeakPolarHBondContact O-CG 3.49Å; I109-R112 PolarHBondContact O-N 3.48Å; R112-V114 WeakPolarHBondContact CB-O 3.39Å; R112-V114 PolarHBondContact O-N 3.17Å; R112-E156 IonicContact CZ-OE1 2.96Å; R112-E156 IonicContact NH1-OE1 3.55Å; R112-E156 IonicContact NH2-OE1 3.56Å; R112-E156 PolarHBondContact NH2-OE1 3.04Å
113G88.2Confident92.7Very high44 Ų4435 Ų3545%0.45419%0.194SC..SBendtrans70-17.1-173.600000116.2E111 Y288E111-G113 PolarHBondContact O-N 2.91Å; G113-Y288 VanDerWaalsContact O-CD1 3.23Å; G113-Y288 WeakPolarHBondContact O-CD1 3.47Å
114V94.2Very high93.3Very high77 Ų7733.2 Ų33.247%0.46718%0.175SC..  trans-141.4139.8173.563.60000109.3R112 D286R112-V114 WeakPolarHBondContact CB-O 3.39Å; R112-V114 PolarHBondContact O-N 3.17Å; V114-D286 HydrophobicContact CG2-CB 4.17Å
115Y96.9Very high93.8Very high2 Ų233 Ų331%0.00818%0.175CC..  trans-159.4134.4-174.4-175.2-108.5000111.6I109 D119 A120 L212 D286 I287 Y288 V291I109-Y115 HydrophobicContact CD1-CE2 4.03Å; I109-Y115 HydrophobicContact CG1-CD2 4.27Å; I109-Y115 HydrophobicContact CG1-CE2 3.82Å; I109-Y115 HydrophobicContact CG2-CD1 4.27Å; I109-Y115 HydrophobicContact CG2-CD2 4.23Å; I109-Y115 HydrophobicContact CG2-CE1 4.43Å; I109-Y115 HydrophobicContact CG2-CE2 4.39Å; I109-Y115 HydrophobicContact CG2-CG 4.16Å; Y115-D119 HydrophobicContact CD2-CB 3.74Å; Y115-D119 HydrophobicContact CE2-CB 3.58Å; Y115-A120 WeakPolarHBondContact OH-CA 3.2Å; Y115-A120 VanDerWaalsContact OH-CB 3.31Å; Y115-A120 WeakPolarHBondContact OH-CB 3.15Å; Y115-L212 WeakPolarHBondContact CE1-O 3.2Å; Y115-D286 PolarHBondContact N-OD1 3.12Å; Y115-D286 WeakPolarHBondContact O-CA 3.37Å; Y115-D286 VanDerWaalsContact O-OD1 3.12Å; Y115-I287 HydrophobicContact CD1-CD1 4.27Å; Y115-I287 HydrophobicContact CD1-CG1 4.05Å; Y115-I287 HydrophobicContact CE1-CD1 4.38Å; Y115-I287 VanDerWaalsContact O-CG1 3.26Å; Y115-I287 WeakPolarHBondContact O-CG1 3.42Å; Y115-I287 PolarHBondContact O-N 2.91Å; Y115-Y288 PolarHBondContact O-N 3.25Å; Y115-V291 HydrophobicContact CD1-CG1 4.42Å; Y115-V291 HydrophobicContact CE1-CG1 4.44Å
116T98.2Very high94.2Very high15 Ų1535 Ų359%0.09218%0.184CC..BIsolated β-bridgetrans-126.6166.2-172700000112.5K118 D119 A120 R285T116-K118 PolarHBondContact O-N 3.43Å; T116-K118 PolarHBondContact OG1-N 2.96Å; T116-D119 WeakPolarHBondContact CB-OD2 3.13Å; T116-D119 PolarHBondContact N-OD2 3.04Å; T116-D119 PolarHBondContact O-N 3.06Å; T116-D119 PolarHBondContact OG1-N 2.94Å; T116-D119 PolarHBondContact OG1-OD2 3.34Å; T116-A120 PolarHBondContact O-N 3.3Å; T116-R285 WeakPolarHBondContact CA-O 3.28Å
117E98.4Very high94.7Very high1 Ų134.9 Ų34.91%0.00518%0.183CC..Hα-helixtrans-58.5-32.9168.9-73.3-178.8-143.200111.9D119 A120 S121 L213 I246 S247 W276 A282 L283E117-D119 VanDerWaalsContact C-N 3.31Å; E117-D119 PolarHBondContact O-N 3.37Å; E117-A120 WeakPolarHBondContact O-CB 3.03Å; E117-A120 PolarHBondContact O-N 3.27Å; E117-S121 WeakPolarHBondContact O-CB 3.37Å; E117-S121 PolarHBondContact O-N 2.77Å; E117-L213 HydrophobicContact CB-CD2 4.43Å; E117-L213 HydrophobicContact CG-CD2 4.03Å; E117-I246 HydrophobicContact CG-CD1 4.27Å; E117-I246 WeakPolarHBondContact OE1-CA 3.47Å; E117-S247 WeakPolarHBondContact OE1-CB 3.38Å; E117-S247 PolarHBondContact OE1-N 3.18Å; E117-S247 PolarHBondContact OE1-OG 2.87Å; E117-S247 WeakPolarHBondContact OE2-CB 3.27Å; E117-S247 PolarHBondContact OE2-OG 2.93Å; E117-W276 HydrophobicContact CB-CZ2 4.31Å; E117-W276 PolarHBondContact OE2-NE1 2.92Å; E117-A282 HydrophobicContact CB-CB 4.3Å; E117-L283 HydrophobicContact CB-CB 4.46Å; E117-L283 WeakPolarHBondContact CB-O 3.45Å; E117-L283 HydrophobicContact CG-CB 4.41Å; E117-L283 PolarHBondContact N-O 2.66Å; E117-L283 WeakPolarHBondContact OE1-CD1 3.14Å; E117-L283 PolarHBondContact OE2-N 3.43Å
118K98.3Very high95.2Very high38 Ų3832.3 Ų32.317%0.16517%0.169CC..Hα-helixtrans-67.2-34.6179.5-169.960-177.7173.70111.9T116 S121 L122 A282 L283T116-K118 PolarHBondContact O-N 3.43Å; T116-K118 PolarHBondContact OG1-N 2.96Å; K118-S121 PolarHBondContact O-N 2.99Å; K118-L122 HydrophobicContact CG-CD1 4.34Å; K118-L122 WeakPolarHBondContact O-CB 3.11Å; K118-L122 VanDerWaalsContact O-CG 3.26Å; K118-L122 WeakPolarHBondContact O-CG 3.47Å; K118-L122 PolarHBondContact O-N 2.9Å; K118-A282 HydrophobicContact CB-CB 4.45Å; K118-A282 HydrophobicContact CD-CB 4.01Å; K118-L283 PolarHBondContact N-O 2.78Å
119D97.4Very high95.6Very high41 Ų4133 Ų3322%0.21918%0.177CC..Hα-helixtrans-63.3-44.9172.7-58-60.6000111Y115 T116 E117 L122 V123Y115-D119 HydrophobicContact CD2-CB 3.74Å; Y115-D119 HydrophobicContact CE2-CB 3.58Å; T116-D119 WeakPolarHBondContact CB-OD2 3.13Å; T116-D119 PolarHBondContact N-OD2 3.04Å; T116-D119 PolarHBondContact O-N 3.06Å; T116-D119 PolarHBondContact OG1-N 2.94Å; T116-D119 PolarHBondContact OG1-OD2 3.34Å; E117-D119 VanDerWaalsContact C-N 3.31Å; E117-D119 PolarHBondContact O-N 3.37Å; D119-L122 PolarHBondContact O-N 3.21Å; D119-V123 PolarHBondContact O-N 2.97Å; D119-V123 VanDerWaalsContact O-N 3.15Å
120A97.9Very high95.8Very high0 Ų033 Ų330%018%0.177CC..Hα-helixtrans-60.1-46.7174.400000112.3Y115 T116 E117 L122 V123 I124 L212 L213 W276Y115-A120 WeakPolarHBondContact OH-CA 3.2Å; Y115-A120 VanDerWaalsContact OH-CB 3.31Å; Y115-A120 WeakPolarHBondContact OH-CB 3.15Å; T116-A120 PolarHBondContact O-N 3.3Å; E117-A120 WeakPolarHBondContact O-CB 3.03Å; E117-A120 PolarHBondContact O-N 3.27Å; A120-L122 PolarHBondContact O-N 2.8Å; A120-V123 PolarHBondContact O-N 3.44Å; A120-I124 WeakPolarHBondContact O-CG1 3.38Å; A120-I124 PolarHBondContact O-N 2.74Å; A120-L212 HydrophobicContact CB-CB 4.23Å; A120-L213 HydrophobicContact CB-CD2 3.59Å; A120-W276 HydrophobicContact CB-CH2 4.07Å; A120-W276 HydrophobicContact CB-CZ2 4.3Å
121S98.6Very high96.1Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-57.3-44.2176.7165.70000111.9E117 K118 V123 I124 Q125 W276E117-S121 WeakPolarHBondContact O-CB 3.37Å; E117-S121 PolarHBondContact O-N 2.77Å; K118-S121 PolarHBondContact O-N 2.99Å; S121-V123 PolarHBondContact O-N 3.39Å; S121-I124 PolarHBondContact O-N 3.18Å; S121-Q125 WeakPolarHBondContact O-CB 3.05Å; S121-Q125 PolarHBondContact O-N 2.85Å; S121-W276 WeakPolarHBondContact CB-O 3.13Å; S121-W276 PolarHBondContact OG-O 3.37Å
122L98Very high96.4Very high74 Ų7426.5 Ų26.539%0.38715%0.145SC..Hα-helixtrans-66.8-33.7177.7-71.9169.4000113.5K118 D119 A120 Q126K118-L122 HydrophobicContact CG-CD1 4.34Å; K118-L122 WeakPolarHBondContact O-CB 3.11Å; K118-L122 VanDerWaalsContact O-CG 3.26Å; K118-L122 WeakPolarHBondContact O-CG 3.47Å; K118-L122 PolarHBondContact O-N 2.9Å; D119-L122 PolarHBondContact O-N 3.21Å; A120-L122 PolarHBondContact O-N 2.8Å; L122-Q126 PolarHBondContact O-NE2 2.8Å
123V97.4Very high96.8Very high7 Ų725.7 Ų25.74%0.04214%0.142CC..Hα-helixtrans-68.3-48.7171.5172.30000110.3L105 D119 A120 S121 Q125 Q126 V127 I160 L212L105-V123 HydrophobicContact CD1-CG1 3.86Å; L105-V123 HydrophobicContact CD1-CG2 4.27Å; L105-V123 HydrophobicContact CD2-CG1 4.15Å; D119-V123 PolarHBondContact O-N 2.97Å; D119-V123 VanDerWaalsContact O-N 3.15Å; A120-V123 PolarHBondContact O-N 3.44Å; S121-V123 PolarHBondContact O-N 3.39Å; V123-Q125 VanDerWaalsContact C-N 3.34Å; V123-Q125 PolarHBondContact O-N 3.24Å; V123-Q126 WeakPolarHBondContact O-CB 3.34Å; V123-Q126 PolarHBondContact O-N 3.48Å; V123-V127 WeakPolarHBondContact O-CG2 3.22Å; V123-V127 PolarHBondContact O-N 3.08Å; V123-V127 VanDerWaalsContact O-N 3.09Å; V123-I160 HydrophobicContact CG1-CG1 4.29Å; V123-I160 HydrophobicContact CG1-CG2 4.38Å; V123-L212 HydrophobicContact CG1-CD1 4.41Å
124I98.4Very high96.9Very high0 Ų023.6 Ų23.60%012%0.121CC..Hα-helixtrans-65.3-35.4-178.5-67.7-60.8000112A120 S121 Q126 V127 L128 I205 I208 T209 L212 F253 W276 I277A120-I124 WeakPolarHBondContact O-CG1 3.38Å; A120-I124 PolarHBondContact O-N 2.74Å; S121-I124 PolarHBondContact O-N 3.18Å; I124-Q126 VanDerWaalsContact C-N 3.32Å; I124-Q126 PolarHBondContact O-N 2.76Å; I124-V127 PolarHBondContact O-N 2.97Å; I124-L128 HydrophobicContact CG2-CD1 3.9Å; I124-L128 HydrophobicContact CG2-CG 4.08Å; I124-L128 WeakPolarHBondContact O-CB 3.3Å; I124-L128 VanDerWaalsContact O-CG 3.27Å; I124-L128 WeakPolarHBondContact O-CG 3.26Å; I124-L128 PolarHBondContact O-N 2.92Å; I124-I205 HydrophobicContact CD1-CG2 4.26Å; I124-I205 HydrophobicContact CG2-CG2 4.1Å; I124-I208 HydrophobicContact CD1-CG2 4.19Å; I124-T209 VanDerWaalsContact CD1-OG1 3.27Å; I124-T209 WeakPolarHBondContact CD1-OG1 3.44Å; I124-T209 HydrophobicContact CG1-CG2 4.22Å; I124-T209 WeakPolarHBondContact CG1-OG1 3.5Å; I124-L212 HydrophobicContact CD1-CD1 3.7Å; I124-L212 HydrophobicContact CG1-CD1 3.86Å; I124-F253 HydrophobicContact CG2-CE1 3.9Å; I124-F253 HydrophobicContact CG2-CZ 3.76Å; I124-W276 HydrophobicContact CB-CZ3 4.44Å; I124-I277 HydrophobicContact CB-CD1 4.28Å; I124-I277 HydrophobicContact CG2-CD1 3.91Å
125Q98.6Very high96.8Very high63 Ų6320.8 Ų20.829%0.29410%0.102SC..Hα-helixtrans-56.8-44.6173.3-172.117842.100112.1S121 V123 S129 L272 I277S121-Q125 WeakPolarHBondContact O-CB 3.05Å; S121-Q125 PolarHBondContact O-N 2.85Å; V123-Q125 VanDerWaalsContact C-N 3.34Å; V123-Q125 PolarHBondContact O-N 3.24Å; Q125-S129 WeakPolarHBondContact O-CB 3.33Å; Q125-S129 PolarHBondContact O-N 3.15Å; Q125-L272 HydrophobicContact CG-CD2 4.14Å; Q125-I277 HydrophobicContact CB-CG2 3.88Å; Q125-I277 HydrophobicContact CG-CG2 3.73Å
126Q98.2Very high96.5Very high42 Ų4226.7 Ų26.720%0.19613%0.13CC..Hα-helixtrans-66.9-42.8177.5-75171.58400112.1N79 L122 V123 I124 S129 A130 I160N79-Q126 PolarHBondContact ND2-OE1 3.23Å; L122-Q126 PolarHBondContact O-NE2 2.8Å; V123-Q126 WeakPolarHBondContact O-CB 3.34Å; V123-Q126 PolarHBondContact O-N 3.48Å; I124-Q126 VanDerWaalsContact C-N 3.32Å; I124-Q126 PolarHBondContact O-N 2.76Å; Q126-S129 PolarHBondContact O-N 3.05Å; Q126-A130 PolarHBondContact O-N 2.98Å; Q126-I160 HydrophobicContact CB-CG2 3.47Å; Q126-I160 VanDerWaalsContact CB-CG2 3.47Å; Q126-I160 HydrophobicContact CG-CG2 4.33Å; Q126-I160 VanDerWaalsContact OE1-N 3.13Å
127V97.8Very high95.9Very high0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-62.2-47.2175.5176.30000110.8V123 I124 S129 A130 V131 L149 I160 I162 I205V123-V127 WeakPolarHBondContact O-CG2 3.22Å; V123-V127 PolarHBondContact O-N 3.08Å; V123-V127 VanDerWaalsContact O-N 3.09Å; I124-V127 PolarHBondContact O-N 2.97Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.27Å; V127-A130 PolarHBondContact O-N 3.4Å; V127-V131 HydrophobicContact CG1-CG2 4.3Å; V127-V131 WeakPolarHBondContact O-CB 3.27Å; V127-V131 VanDerWaalsContact O-CG2 3.3Å; V127-V131 WeakPolarHBondContact O-CG2 3.46Å; V127-V131 PolarHBondContact O-N 3.42Å; V127-L149 HydrophobicContact CG2-CD1 3.94Å; V127-L149 HydrophobicContact CG2-CD2 3.91Å; V127-I160 HydrophobicContact CG2-CG2 4.17Å; V127-I162 HydrophobicContact CG1-CD1 4.26Å; V127-I205 HydrophobicContact CG1-CD1 4.13Å; V127-I205 HydrophobicContact CG1-CG1 3.97Å
128L98.4Very high95.1Very high0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-59.4-40.8175.8-75.7171.7000112.4I124 V131 K132 I205 F253 C268 A271 L272 I277I124-L128 HydrophobicContact CG2-CD1 3.9Å; I124-L128 HydrophobicContact CG2-CG 4.08Å; I124-L128 WeakPolarHBondContact O-CB 3.3Å; I124-L128 VanDerWaalsContact O-CG 3.27Å; I124-L128 WeakPolarHBondContact O-CG 3.26Å; I124-L128 PolarHBondContact O-N 2.92Å; L128-V131 PolarHBondContact O-N 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.48Å; L128-K132 PolarHBondContact O-N 2.83Å; L128-I205 HydrophobicContact CD2-CD1 3.94Å; L128-I205 HydrophobicContact CD2-CG2 4.11Å; L128-I205 HydrophobicContact CG-CG2 4.41Å; L128-F253 HydrophobicContact CD1-CE2 4.37Å; L128-F253 HydrophobicContact CD1-CZ 4.05Å; L128-C268 HydrophobicContact CD2-CB 4.08Å; L128-A271 HydrophobicContact CD1-CB 3.93Å; L128-A271 HydrophobicContact CD2-CB 3.71Å; L128-L272 HydrophobicContact CB-CD1 4.4Å; L128-L272 HydrophobicContact CB-CD2 3.67Å; L128-L272 HydrophobicContact CB-CG 3.81Å; L128-L272 HydrophobicContact CD1-CD2 4.18Å; L128-L272 HydrophobicContact CD1-CG 4.25Å; L128-I277 HydrophobicContact CD1-CD1 4.32Å; L128-I277 HydrophobicContact CD1-CG1 4.19Å
129S98.2Very high94.3Very high34 Ų3428.6 Ų28.624%0.23815%0.146CC..Hα-helixtrans-62-47.6177.2-174.40000111.6H77 Q125 Q126 V127 Y133H77-S129 WeakPolarHBondContact CE1-CB 3.5Å; H77-S129 PolarHBondContact CE1-OG 3.16Å; H77-S129 VanDerWaalsContact CE1-OG 3.23Å; H77-S129 WeakPolarHBondContact NE2-CB 3.45Å; H77-S129 PolarHBondContact NE2-O 3.17Å; H77-S129 VanDerWaalsContact NE2-O 3.1Å; H77-S129 PolarHBondContact NE2-OG 3.45Å; Q125-S129 WeakPolarHBondContact O-CB 3.33Å; Q125-S129 PolarHBondContact O-N 3.15Å; Q126-S129 PolarHBondContact O-N 3.05Å; V127-S129 VanDerWaalsContact C-N 3.32Å; V127-S129 PolarHBondContact O-N 3.27Å; S129-Y133 PolarHBondContact O-N 3.09Å; S129-Y133 VanDerWaalsContact O-N 3.08Å
130A95.4Very high93.7Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-63-45.5176.100000112.5H77 N79 I80 Q126 V127 Y133 L134 I162H77-A130 PolarHBondContact CE1-N 3.38Å; H77-A130 VanDerWaalsContact CE1-N 3.3Å; N79-A130 HydrophobicContact CB-CB 4Å; I80-A130 HydrophobicContact CD1-CB 4.08Å; I80-A130 HydrophobicContact CG1-CB 3.73Å; Q126-A130 PolarHBondContact O-N 2.98Å; V127-A130 PolarHBondContact O-N 3.4Å; A130-Y133 WeakPolarHBondContact O-CB 3.33Å; A130-Y133 PolarHBondContact O-N 3.21Å; A130-L134 WeakPolarHBondContact O-CG 3.39Å; A130-L134 PolarHBondContact O-N 2.96Å; A130-I162 HydrophobicContact CB-CD1 3.49Å; A130-I162 VanDerWaalsContact CB-CD1 3.49Å; A130-I162 HydrophobicContact CB-CG1 4.07Å
131V95Very high93.1Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-70.7-37.5-178.2178.70000111.5V127 L128 Y133 L134 H135 L144 I162 D201 I205 C268V127-V131 HydrophobicContact CG1-CG2 4.3Å; V127-V131 WeakPolarHBondContact O-CB 3.27Å; V127-V131 VanDerWaalsContact O-CG2 3.3Å; V127-V131 WeakPolarHBondContact O-CG2 3.46Å; V127-V131 PolarHBondContact O-N 3.42Å; L128-V131 PolarHBondContact O-N 3.31Å; V131-Y133 VanDerWaalsContact C-N 3.32Å; V131-Y133 PolarHBondContact O-N 3.38Å; V131-L134 PolarHBondContact O-N 3.33Å; V131-H135 VanDerWaalsContact CG1-CE1 3.47Å; V131-H135 WeakPolarHBondContact CG1-CE1 3.32Å; V131-H135 WeakPolarHBondContact CG1-NE2 3.42Å; V131-H135 WeakPolarHBondContact O-CB 3.35Å; V131-H135 PolarHBondContact O-CD2 2.82Å; V131-H135 VanDerWaalsContact O-CD2 3.3Å; V131-H135 PolarHBondContact O-N 3.38Å; V131-L144 HydrophobicContact CG1-CD1 4.47Å; V131-L144 HydrophobicContact CG2-CD1 3.74Å; V131-L144 HydrophobicContact CG2-CD2 4.49Å; V131-I162 HydrophobicContact CG2-CD1 3.55Å; V131-D201 HydrophobicContact CG1-CB 3.83Å; V131-I205 HydrophobicContact CB-CD1 4.11Å; V131-I205 HydrophobicContact CG1-CD1 4.18Å; V131-I205 HydrophobicContact CG2-CD1 4.06Å; V131-C268 VanDerWaalsContact CG1-SG 3.52Å
132K96.2Very high92.2Very high49 Ų4927.8 Ų27.821%0.21314%0.14CC..Hα-helixtrans-54.5-49.2168.6175.6172.6169.8169.40110.7L128 L134 H135 E136 C268 E269 L272L128-K132 WeakPolarHBondContact O-CB 3.48Å; L128-K132 PolarHBondContact O-N 2.83Å; K132-L134 PolarHBondContact O-N 2.84Å; K132-H135 WeakPolarHBondContact O-CB 3.36Å; K132-H135 PolarHBondContact O-N 3Å; K132-H135 VanDerWaalsContact O-N 3.14Å; K132-E136 WeakPolarHBondContact CE-OE1 3.29Å; K132-E136 HydrophobicContact CG-CG 4.4Å; K132-E136 IonicContact NZ-OE1 3.22Å; K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 2.96Å; K132-C268 HydrophobicContact CB-CB 3.81Å; K132-E269 HydrophobicContact CD-CB 4.09Å; K132-E269 IonicContact NZ-OE1 3.57Å; K132-E269 PolarHBondContact NZ-OE1 3.49Å; K132-L272 HydrophobicContact CB-CD1 4.32Å; K132-L272 HydrophobicContact CD-CD1 3.79Å
133Y94.1Very high91.2Very high52 Ų5225 Ų2520%0.20413%0.125CC..Hα-helixtrans-62.1-39.9179.3177.3-96.2000112.8I75 K76 H77 I80 S129 A130 V131 N137I75-Y133 HydrophobicContact CB-CE1 3.87Å; I75-Y133 HydrophobicContact CG2-CE1 4.06Å; K76-Y133 PolarHBondContact N-OH 3.25Å; H77-Y133 HydrophobicContact CB-CD1 3.79Å; H77-Y133 HydrophobicContact CB-CE1 4.07Å; H77-Y133 HydrophobicContact CB-CG 4.19Å; H77-Y133 AromaticContact CD2-CG 3.91Å; I80-Y133 HydrophobicContact CD1-CD1 4.06Å; S129-Y133 PolarHBondContact O-N 3.09Å; S129-Y133 VanDerWaalsContact O-N 3.08Å; A130-Y133 WeakPolarHBondContact O-CB 3.33Å; A130-Y133 PolarHBondContact O-N 3.21Å; V131-Y133 VanDerWaalsContact C-N 3.32Å; V131-Y133 PolarHBondContact O-N 3.38Å; Y133-N137 PolarHBondContact O-N 3.15Å; Y133-N137 VanDerWaalsContact O-N 3.16Å; Y133-N137 PolarHBondContact O-ND2 2.59Å
134L89.9Confident90.7Very high0 Ų024.6 Ų24.60%012%0.123CC..Hα-helixtrans-60.5-46171.9-68.8170.4000111.6I75 I80 A130 V131 K132 E136 N137 G138 I139 F165I75-L134 HydrophobicContact CD1-CD2 4.31Å; I75-L134 HydrophobicContact CG2-CD2 4.34Å; I80-L134 HydrophobicContact CD1-CD1 4.22Å; I80-L134 HydrophobicContact CD1-CD2 3.81Å; I80-L134 HydrophobicContact CD1-CG 3.77Å; A130-L134 WeakPolarHBondContact O-CG 3.39Å; A130-L134 PolarHBondContact O-N 2.96Å; V131-L134 PolarHBondContact O-N 3.33Å; K132-L134 PolarHBondContact O-N 2.84Å; L134-E136 PolarHBondContact O-N 3.34Å; L134-N137 CarbonylContact O-C 3.53Å; L134-N137 WeakPolarHBondContact O-CA 3.3Å; L134-N137 PolarHBondContact O-N 3.34Å; L134-N137 VanDerWaalsContact O-N 3.12Å; L134-G138 PolarHBondContact O-N 2.93Å; L134-I139 CarbonylContact C-O 3.52Å; L134-I139 HydrophobicContact CB-CB 4.18Å; L134-I139 HydrophobicContact CD2-CB 4.27Å; L134-I139 HydrophobicContact CD2-CD1 3.73Å; L134-I139 HydrophobicContact CD2-CG2 4.21Å; L134-I139 WeakPolarHBondContact O-CB 3.5Å; L134-I139 PolarHBondContact O-N 3.38Å; L134-F165 HydrophobicContact CD1-CE1 3.78Å; L134-F165 HydrophobicContact CD2-CE1 4.08Å
135H91Very high90Very high18 Ų1826.3 Ų26.38%0.08313%0.131CC..Hα-helixtrans-64-38.5-178.6-73.8-172.8000113V131 K132 N137 G138 I139 K198 D201V131-H135 VanDerWaalsContact CG1-CE1 3.47Å; V131-H135 WeakPolarHBondContact CG1-CE1 3.32Å; V131-H135 WeakPolarHBondContact CG1-NE2 3.42Å; V131-H135 WeakPolarHBondContact O-CB 3.35Å; V131-H135 PolarHBondContact O-CD2 2.82Å; V131-H135 VanDerWaalsContact O-CD2 3.3Å; V131-H135 PolarHBondContact O-N 3.38Å; K132-H135 WeakPolarHBondContact O-CB 3.36Å; K132-H135 PolarHBondContact O-N 3Å; K132-H135 VanDerWaalsContact O-N 3.14Å; H135-N137 VanDerWaalsContact C-N 3.33Å; H135-G138 PolarHBondContact O-N 3.07Å; H135-G138 VanDerWaalsContact O-N 3.17Å; H135-I139 PolarHBondContact CD2-O 3.48Å; H135-K198 HydrophobicContact CB-CD 3.91Å; H135-K198 HydrophobicContact CB-CG 4.16Å; H135-K198 PolarHBondContact CE1-O 3.23Å; H135-K198 WeakPolarHBondContact O-CE 3.46Å; H135-K198 PolarHBondContact O-NZ 3.1Å; H135-D201 IonicContact CD2-OD2 3.75Å; H135-D201 IonicContact CE1-OD2 2.73Å; H135-D201 IonicContact NE2-OD2 3.98Å; H135-D201 PolarHBondContact NE2-OD2 3.06Å
136E90.1Very high89.3Confident126 Ų12623.5 Ų23.559%0.58912%0.118SC*.Hα-helixtrans-64.8-35.5172.5-73.1174.4161.900112K132 L134 G138K132-E136 WeakPolarHBondContact CE-OE1 3.29Å; K132-E136 HydrophobicContact CG-CG 4.4Å; K132-E136 IonicContact NZ-OE1 3.22Å; K132-E136 WeakPolarHBondContact O-CG 3.45Å; K132-E136 PolarHBondContact O-N 2.96Å; L134-E136 PolarHBondContact O-N 3.34Å; E136-G138 PolarHBondContact O-N 2.73Å
137N86.3Confident88.5Confident71 Ų7124 Ų2438%0.3812%0.12SC..THydrogen-bonded Turntrans-82.58.1173.8-73.9-87.5000113.6Y133 L134 H135 I139Y133-N137 PolarHBondContact O-N 3.15Å; Y133-N137 VanDerWaalsContact O-N 3.16Å; Y133-N137 PolarHBondContact O-ND2 2.59Å; L134-N137 CarbonylContact O-C 3.53Å; L134-N137 WeakPolarHBondContact O-CA 3.3Å; L134-N137 PolarHBondContact O-N 3.34Å; L134-N137 VanDerWaalsContact O-N 3.12Å; H135-N137 VanDerWaalsContact C-N 3.33Å; N137-I139 VanDerWaalsContact C-N 3.32Å; N137-I139 HydrophobicContact CB-CD1 4.05Å; N137-I139 HydrophobicContact CB-CG1 4.39Å; N137-I139 PolarHBondContact O-N 2.88Å
138G81.9Confident87.9Confident20 Ų2024.5 Ų24.521%0.20612%0.123CC..THydrogen-bonded Turntrans74.916.4176.700000115.1L134 H135 E136 M170 E171L134-G138 PolarHBondContact O-N 2.93Å; H135-G138 PolarHBondContact O-N 3.07Å; H135-G138 VanDerWaalsContact O-N 3.17Å; E136-G138 PolarHBondContact O-N 2.73Å; G138-M170 WeakPolarHBondContact O-CA 3.1Å; G138-E171 PolarHBondContact O-N 3.49Å
139I82.4Confident87.6Confident4 Ų424.5 Ų24.52%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-99.9136.6-180-50.4159.9000108.8V71 I75 L134 H135 N137V71-I139 HydrophobicContact CG1-CD1 3.4Å; V71-I139 HydrophobicContact CG1-CG1 3.61Å; I75-I139 HydrophobicContact CG2-CD1 3.43Å; I75-I139 VanDerWaalsContact CG2-CD1 3.43Å; L134-I139 CarbonylContact C-O 3.52Å; L134-I139 HydrophobicContact CB-CB 4.18Å; L134-I139 HydrophobicContact CD2-CB 4.27Å; L134-I139 HydrophobicContact CD2-CD1 3.73Å; L134-I139 HydrophobicContact CD2-CG2 4.21Å; L134-I139 WeakPolarHBondContact O-CB 3.5Å; L134-I139 PolarHBondContact O-N 3.38Å; H135-I139 PolarHBondContact CD2-O 3.48Å; N137-I139 VanDerWaalsContact C-N 3.32Å; N137-I139 HydrophobicContact CB-CD1 4.05Å; N137-I139 HydrophobicContact CB-CG1 4.39Å; N137-I139 PolarHBondContact O-N 2.88Å
140V83.8Confident87.2Confident0 Ų024.8 Ų24.80%012%0.122CC..EExtended strand (participates in β ladder)trans-112136.4168.1-164.80000108.1R142 S168 K169 M176 K198 V200 D201V140-R142 HydrophobicContact CB-CG 3.98Å; V140-R142 HydrophobicContact CG1-CG 3.76Å; V140-R142 WeakPolarHBondContact O-CD 3.41Å; V140-S168 VanDerWaalsContact O-CA 3.27Å; V140-S168 WeakPolarHBondContact O-CA 3.23Å; V140-S168 WeakPolarHBondContact O-CB 3.35Å; V140-K169 PolarHBondContact N-O 3Å; V140-K169 PolarHBondContact O-N 2.91Å; V140-K169 VanDerWaalsContact O-N 3.15Å; V140-M176 HydrophobicContact CB-CE 4.4Å; V140-M176 HydrophobicContact CB-SD 4.47Å; V140-M176 HydrophobicContact CG2-CE 3.9Å; V140-M176 HydrophobicContact CG2-SD 4.18Å; V140-K198 HydrophobicContact CG2-CG 4.01Å; V140-V200 HydrophobicContact CG1-CG2 4Å; V140-D201 VanDerWaalsContact CG1-OD2 3.23Å; V140-D201 WeakPolarHBondContact CG1-OD2 3.34Å
141H85.5Confident87.1Confident1 Ų125.5 Ų25.51%0.00512%0.124CC..  trans-78.3-44.4-174.7-170.1-74000112.6D143 L144 I162 F165 D201H141-D143 PolarHBondContact CE1-O 2.83Å; H141-D143 PolarHBondContact ND1-O 3.2Å; H141-D143 PolarHBondContact O-N 3.24Å; H141-L144 HydrophobicContact CB-CD1 4.37Å; H141-L144 HydrophobicContact CB-CG 4Å; H141-L144 PolarHBondContact ND1-N 2.8Å; H141-I162 VanDerWaalsContact NE2-CG2 3.32Å; H141-I162 WeakPolarHBondContact NE2-CG2 3.27Å; H141-F165 AromaticContact CD2-CD1 3.76Å; H141-F165 AromaticContact CD2-CE1 3.67Å; H141-F165 AromaticContact NE2-CD1 3.99Å; H141-D201 PolarHBondContact N-OD1 3.1Å; H141-D201 PolarHBondContact N-OD2 3.09Å
142R78.6Confident87Confident22 Ų2227.5 Ų27.58%0.08314%0.135CC..  trans70.1-19.8169.6-56.8142.7131.3-105.1-14117.6V140 L167 K169 M176 Y196 D201V140-R142 HydrophobicContact CB-CG 3.98Å; V140-R142 HydrophobicContact CG1-CG 3.76Å; V140-R142 WeakPolarHBondContact O-CD 3.41Å; R142-L167 VanDerWaalsContact CD-O 3.27Å; R142-L167 WeakPolarHBondContact CD-O 3.44Å; R142-L167 PolarHBondContact NH1-O 2.87Å; R142-K169 VanDerWaalsContact CZ-CB 3.43Å; R142-M176 PolarHBondContact NE-SD 3.1Å; R142-M176 PolarHBondContact NH2-SD 3.36Å; R142-Y196 HydrophobicContact CG-CE2 4.35Å; R142-Y196 PolarHBondContact NH2-OH 2.99Å; R142-D201 PolarHBondContact N-OD1 3.42Å
143D78.6Confident86.8Confident15 Ų1527 Ų278%0.0814%0.136CC..  trans-131.155170.2-167.446.6000110.7H141 K145 N148 L167 G181 T182H141-D143 PolarHBondContact CE1-O 2.83Å; H141-D143 PolarHBondContact ND1-O 3.2Å; H141-D143 PolarHBondContact O-N 3.24Å; D143-K145 PolarHBondContact O-N 3.29Å; D143-K145 IonicContact OD1-NZ 2.74Å; D143-K145 WeakPolarHBondContact OD2-CE 3.39Å; D143-K145 IonicContact OD2-NZ 2.66Å; D143-K145 PolarHBondContact OD2-NZ 2.84Å; D143-N148 PolarHBondContact O-ND2 3.36Å; D143-L167 HydrophobicContact CB-CB 4.37Å; D143-L167 HydrophobicContact CB-CD1 3.74Å; D143-G181 WeakPolarHBondContact OD1-CA 3.47Å; D143-T182 PolarHBondContact OD1-N 3.15Å; D143-T182 PolarHBondContact OD1-OG1 2.41Å
144L86.1Confident86.6Confident0 Ų029.2 Ų29.20%016%0.157CC..  trans-72.3121.5169.1-84.6172.9000109.4V131 H141 I162 D201 I205 I208V131-L144 HydrophobicContact CG1-CD1 4.47Å; V131-L144 HydrophobicContact CG2-CD1 3.74Å; V131-L144 HydrophobicContact CG2-CD2 4.49Å; H141-L144 HydrophobicContact CB-CD1 4.37Å; H141-L144 HydrophobicContact CB-CG 4Å; H141-L144 PolarHBondContact ND1-N 2.8Å; L144-I162 HydrophobicContact CD2-CD1 4.3Å; L144-I162 HydrophobicContact CD2-CG2 4.29Å; L144-D201 HydrophobicContact CD1-CB 3.78Å; L144-I205 HydrophobicContact CD1-CD1 4.29Å; L144-I205 HydrophobicContact CD1-CG1 3.96Å; L144-I208 HydrophobicContact CB-CD1 4.47Å
145K83.8Confident86.7Confident36 Ų3635 Ų3516%0.15718%0.184CC..  trans-154.5161.518066-170.4-178-1510109.5D143 E147 N148 T182 Y185D143-K145 PolarHBondContact O-N 3.29Å; D143-K145 IonicContact OD1-NZ 2.74Å; D143-K145 WeakPolarHBondContact OD2-CE 3.39Å; D143-K145 IonicContact OD2-NZ 2.66Å; D143-K145 PolarHBondContact OD2-NZ 2.84Å; K145-E147 VanDerWaalsContact C-N 3.27Å; K145-E147 WeakPolarHBondContact CB-OE2 3.12Å; K145-E147 HydrophobicContact CG-CB 4.3Å; K145-E147 VanDerWaalsContact CG-OE2 3.29Å; K145-E147 WeakPolarHBondContact CG-OE2 3.27Å; K145-E147 PolarHBondContact O-N 2.96Å; K145-N148 WeakPolarHBondContact CE-OD1 3.33Å; K145-N148 HydrophobicContact CG-CB 4.13Å; K145-N148 WeakPolarHBondContact O-CB 3.43Å; K145-N148 PolarHBondContact O-N 3.17Å; K145-T182 WeakPolarHBondContact CD-OG1 3.49Å; K145-Y185 HydrophobicContact CB-CD2 4.35Å; K145-Y185 HydrophobicContact CB-CG 4.44Å
146P83.8Confident86.5Confident4 Ų440.8 Ų40.83%0.02621%0.211CC..G310 helixtrans-57.7-35.8-177.5-25.935.4000114.5F106 N148 L149 Y185 I208F106-P146 HydrophobicContact CD2-CB 3.68Å; F106-P146 HydrophobicContact CD2-CG 4.26Å; F106-P146 HydrophobicContact CE2-CB 3.39Å; F106-P146 HydrophobicContact CE2-CG 3.51Å; F106-P146 HydrophobicContact CZ-CG 4.44Å; P146-N148 PolarHBondContact O-N 2.79Å; P146-L149 PolarHBondContact O-N 3.29Å; P146-Y185 VanDerWaalsContact CD-CE1 3.5Å; P146-Y185 VanDerWaalsContact CD-CZ 3.47Å; P146-Y185 WeakPolarHBondContact CD-OH 3.27Å; P146-Y185 HydrophobicContact CG-CE1 3.99Å; P146-Y185 WeakPolarHBondContact CG-OH 3.49Å; P146-I208 HydrophobicContact CG-CG1 4.36Å
147E81.3Confident86.5Confident51 Ų5141.1 Ų41.124%0.23822%0.217CC..G310 helixtrans-63.3-21.1178.2-58.193.3149.600112.8K145 Q306K145-E147 VanDerWaalsContact C-N 3.27Å; K145-E147 WeakPolarHBondContact CB-OE2 3.12Å; K145-E147 HydrophobicContact CG-CB 4.3Å; K145-E147 VanDerWaalsContact CG-OE2 3.29Å; K145-E147 WeakPolarHBondContact CG-OE2 3.27Å; K145-E147 PolarHBondContact O-N 2.96Å; E147-Q306 PolarHBondContact OE1-NE2 3.42Å; E147-Q306 VanDerWaalsContact OE1-NE2 3.16Å
148N86.1Confident86.9Confident11 Ų1138.3 Ų38.36%0.05920%0.202CC..G310 helixtrans-91.82177.3-72.8-4000112.6D143 K145 P146 T163D143-N148 PolarHBondContact O-ND2 3.36Å; K145-N148 WeakPolarHBondContact CE-OD1 3.33Å; K145-N148 HydrophobicContact CG-CB 4.13Å; K145-N148 WeakPolarHBondContact O-CB 3.43Å; K145-N148 PolarHBondContact O-N 3.17Å; P146-N148 PolarHBondContact O-N 2.79Å; N148-T163 WeakPolarHBondContact CB-O 3.48Å; N148-T163 PolarHBondContact O-N 3.14Å; N148-T163 PolarHBondContact O-OG1 3.08Å
149L90.5Very high87.5Confident0 Ų041.5 Ų41.50%021%0.211CC..EExtended strand (participates in β ladder)trans-112.1101.5177.9-61.1-177000110.2L105 V127 P146 I160 I162 I208L105-L149 HydrophobicContact CB-CB 4.25Å; L105-L149 WeakPolarHBondContact CB-O 3.48Å; L105-L149 HydrophobicContact CD2-CB 4.04Å; L105-L149 HydrophobicContact CD2-CD1 3.76Å; L105-L149 PolarHBondContact N-O 3.43Å; L105-L149 VanDerWaalsContact N-O 3.14Å; V127-L149 HydrophobicContact CG2-CD1 3.94Å; V127-L149 HydrophobicContact CG2-CD2 3.91Å; P146-L149 PolarHBondContact O-N 3.29Å; L149-I160 HydrophobicContact CB-CD1 4.17Å; L149-I160 HydrophobicContact CB-CG1 4.16Å; L149-I162 HydrophobicContact CD2-CG1 3.86Å; L149-I208 HydrophobicContact CD1-CD1 4.1Å; L149-I208 HydrophobicContact CD1-CG2 4.04Å
150L90.8Very high88.2Confident40 Ų4041.4 Ų41.421%0.20921%0.21CC..EExtended strand (participates in β ladder)trans-118.7141.6-175.3-57.4-173.9000110.7V100 G103 E104 M161 T163V100-L150 HydrophobicContact CG1-CB 3.52Å; V100-L150 HydrophobicContact CG1-CD1 4.39Å; G103-L150 WeakPolarHBondContact O-CA 3.47Å; E104-L150 HydrophobicContact CB-CD2 4.23Å; E104-L150 HydrophobicContact CG-CD2 3.7Å; L150-M161 PolarHBondContact N-O 3.26Å; L150-M161 WeakPolarHBondContact O-CA 3.35Å; L150-M161 VanDerWaalsContact O-CB 3.3Å; L150-M161 WeakPolarHBondContact O-CB 3.3Å; L150-M161 PolarHBondContact O-N 3.28Å; L150-T163 HydrophobicContact CB-CG2 4.21Å; L150-T163 HydrophobicContact CD1-CG2 4.1Å; L150-T163 HydrophobicContact CG-CG2 4.19Å
151Y93.3Very high88.6Confident15 Ų1541.5 Ų41.56%0.05921%0.21CC..EExtended strand (participates in β ladder)trans-74.2139.4174.7-77.1-87.1000111.1V100 G102 G103 L105 R108 T153 S158 K159 I160V100-Y151 WeakPolarHBondContact CG1-O 3.38Å; G102-Y151 WeakPolarHBondContact CA-O 3.43Å; G102-Y151 PolarHBondContact N-O 3.05Å; G103-Y151 PolarHBondContact O-N 2.93Å; L105-Y151 HydrophobicContact CD1-CE2 3.87Å; R108-Y151 HydrophobicContact CB-CD2 3.75Å; R108-Y151 HydrophobicContact CB-CE2 3.56Å; R108-Y151 HydrophobicContact CG-CD2 3.62Å; R108-Y151 HydrophobicContact CG-CE2 4Å; R108-Y151 HydrophobicContact CG-CG 4.41Å; Y151-T153 PolarHBondContact O-N 2.79Å; Y151-S158 WeakPolarHBondContact CD1-O 3.48Å; Y151-K159 WeakPolarHBondContact CA-O 3.24Å; Y151-I160 HydrophobicContact CD1-CD1 4.3Å; Y151-I160 HydrophobicContact CD2-CD1 3.94Å; Y151-I160 HydrophobicContact CE1-CD1 4.34Å; Y151-I160 HydrophobicContact CE2-CD1 4Å; Y151-I160 HydrophobicContact CG-CD1 4.13Å
152L92.5Very high88.9Confident43 Ų4341.5 Ų41.523%0.22521%0.211CC..SBendtrans-57.6-48.6179.6-175.758.3000112.8V100 S101 S158 K159 M161V100-L152 HydrophobicContact CG2-CD1 4.39Å; S101-L152 PolarHBondContact N-O 3.42Å; S101-L152 PolarHBondContact OG-O 2.65Å; L152-S158 PolarHBondContact N-OG 3.3Å; L152-S158 VanDerWaalsContact N-OG 3.08Å; L152-K159 PolarHBondContact N-O 3.09Å; L152-M161 HydrophobicContact CB-CG 3.79Å; L152-M161 HydrophobicContact CB-SD 3.98Å; L152-M161 HydrophobicContact CD1-CE 4.46Å; L152-M161 HydrophobicContact CD1-CG 4.19Å; L152-M161 HydrophobicContact CD1-SD 4.26Å; L152-M161 HydrophobicContact CD2-SD 4.38Å; L152-M161 HydrophobicContact CG-SD 4.43Å
153T91.9Very high88.9Confident38 Ų3841.3 Ų41.323%0.23321%0.212CC..SBendtrans-133.4163.3-17868.90000111.4G102 R108 Y151 E155 S158G102-T153 WeakPolarHBondContact CA-O 3.36Å; R108-T153 PolarHBondContact NH1-O 2.85Å; Y151-T153 PolarHBondContact O-N 2.79Å; T153-E155 PolarHBondContact O-N 3.47Å; T153-E155 WeakPolarHBondContact OG1-CB 3.46Å; T153-E155 PolarHBondContact OG1-N 3.2Å; T153-S158 PolarHBondContact N-OG 2.92Å; T153-S158 WeakPolarHBondContact O-CB 3.42Å; T153-S158 PolarHBondContact O-OG 3.24Å; T153-S158 WeakPolarHBondContact OG1-CB 3.34Å
154P90.2Very high88.6Confident98 Ų9843.7 Ų43.764%0.63623%0.225SC*.SBendtrans-65.8-8.6173.2-2335.2000114.7
155E92Very high87.7Confident123 Ų12344.1 Ų44.158%0.57523%0.227SC*.SBendtrans-65.2144.9-176.9-60.9172.5-174.900111.4R108 T153 N157 S158R108-E155 PolarHBondContact NH2-O 3.3Å; T153-E155 PolarHBondContact O-N 3.47Å; T153-E155 WeakPolarHBondContact OG1-CB 3.46Å; T153-E155 PolarHBondContact OG1-N 3.2Å; E155-N157 VanDerWaalsContact C-N 3.27Å; E155-N157 PolarHBondContact O-N 3.44Å; E155-S158 WeakPolarHBondContact O-CB 3.43Å; E155-S158 PolarHBondContact O-N 3.18Å
156E86.9Confident86.3Confident139 Ų13944.4 Ų44.465%0.6524%0.239SC*.THydrogen-bonded Turntrans-61.3-35.9-172.6-162.5-160.7146.400113R112 S158R112-E156 IonicContact CZ-OE1 2.96Å; R112-E156 IonicContact NH1-OE1 3.55Å; R112-E156 IonicContact NH2-OE1 3.56Å; R112-E156 PolarHBondContact NH2-OE1 3.04Å; E156-S158 VanDerWaalsContact C-N 3.31Å
157N90Very high84.8Confident133 Ų13348 Ų4871%0.71126%0.258SS*.THydrogen-bonded Turntrans-9014.3177.466.1-29.4000113.3E155E155-N157 VanDerWaalsContact C-N 3.27Å; E155-N157 PolarHBondContact O-N 3.44Å
158S94.6Very high83.6Confident11 Ų1145.9 Ų45.98%0.07725%0.249CC..PPolyproline II helixtrans-57.4142.7178.8175.60000111.6Y151 L152 T153 E155 E156Y151-S158 WeakPolarHBondContact CD1-O 3.48Å; L152-S158 PolarHBondContact N-OG 3.3Å; L152-S158 VanDerWaalsContact N-OG 3.08Å; T153-S158 PolarHBondContact N-OG 2.92Å; T153-S158 WeakPolarHBondContact O-CB 3.42Å; T153-S158 PolarHBondContact O-OG 3.24Å; T153-S158 WeakPolarHBondContact OG1-CB 3.34Å; E155-S158 WeakPolarHBondContact O-CB 3.43Å; E155-S158 PolarHBondContact O-N 3.18Å; E156-S158 VanDerWaalsContact C-N 3.31Å
159K95.1Very high82.2Confident88 Ų8850 Ų5038%0.38327%0.266SS..PPolyproline II helixtrans-68147.8170.4-57.3-168.3-177.1-1700110.7E78 Y151 L152 M161E78-K159 IonicContact OE2-NZ 2.6Å; E78-K159 PolarHBondContact OE2-NZ 3.41Å; Y151-K159 WeakPolarHBondContact CA-O 3.24Å; L152-K159 PolarHBondContact N-O 3.09Å; K159-M161 HydrophobicContact CB-SD 4.47Å
160I95.9Very high80.3Confident1 Ų152.7 Ų52.71%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-82.4140.4167.1-163.269.6000109N79 L105 V123 Q126 V127 L149 Y151N79-I160 WeakPolarHBondContact CA-O 3.41Å; N79-I160 WeakPolarHBondContact CB-O 3.42Å; N79-I160 PolarHBondContact ND2-O 2.85Å; L105-I160 HydrophobicContact CB-CD1 4.31Å; L105-I160 HydrophobicContact CD1-CD1 4.13Å; V123-I160 HydrophobicContact CG1-CG1 4.29Å; V123-I160 HydrophobicContact CG1-CG2 4.38Å; Q126-I160 HydrophobicContact CB-CG2 3.47Å; Q126-I160 VanDerWaalsContact CB-CG2 3.47Å; Q126-I160 HydrophobicContact CG-CG2 4.33Å; Q126-I160 VanDerWaalsContact OE1-N 3.13Å; V127-I160 HydrophobicContact CG2-CG2 4.17Å; L149-I160 HydrophobicContact CB-CD1 4.17Å; L149-I160 HydrophobicContact CB-CG1 4.16Å; Y151-I160 HydrophobicContact CD1-CD1 4.3Å; Y151-I160 HydrophobicContact CD2-CD1 3.94Å; Y151-I160 HydrophobicContact CE1-CD1 4.34Å; Y151-I160 HydrophobicContact CE2-CD1 4Å; Y151-I160 HydrophobicContact CG-CD1 4.13Å
161M93.7Very high78.4Confident2 Ų253.8 Ų53.81%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-119.6129.1-179-53-59.7-65.900109.2E78 I80 V100 L150 L152 K159 T163E78-M161 VanDerWaalsContact O-SD 3.36Å; I80-M161 WeakPolarHBondContact O-CE 3.38Å; V100-M161 HydrophobicContact CG1-CB 4.24Å; V100-M161 HydrophobicContact CG1-CG 4.15Å; V100-M161 HydrophobicContact CG2-CB 4.21Å; V100-M161 HydrophobicContact CG2-CG 4.13Å; L150-M161 PolarHBondContact N-O 3.26Å; L150-M161 WeakPolarHBondContact O-CA 3.35Å; L150-M161 VanDerWaalsContact O-CB 3.3Å; L150-M161 WeakPolarHBondContact O-CB 3.3Å; L150-M161 PolarHBondContact O-N 3.28Å; L152-M161 HydrophobicContact CB-CG 3.79Å; L152-M161 HydrophobicContact CB-SD 3.98Å; L152-M161 HydrophobicContact CD1-CE 4.46Å; L152-M161 HydrophobicContact CD1-CG 4.19Å; L152-M161 HydrophobicContact CD1-SD 4.26Å; L152-M161 HydrophobicContact CD2-SD 4.38Å; L152-M161 HydrophobicContact CG-SD 4.43Å; K159-M161 HydrophobicContact CB-SD 4.47Å; M161-T163 HydrophobicContact CB-CG2 4.33Å
162I91.1Very high76.2Confident1 Ų159.9 Ų59.91%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-75125.9164-56.3-171.2000108N79 V81 V127 A130 V131 H141 L144 L149 F165N79-I162 PolarHBondContact O-N 3.08Å; V81-I162 WeakPolarHBondContact CG1-O 3.4Å; V81-I162 PolarHBondContact N-O 2.94Å; V127-I162 HydrophobicContact CG1-CD1 4.26Å; A130-I162 HydrophobicContact CB-CD1 3.49Å; A130-I162 VanDerWaalsContact CB-CD1 3.49Å; A130-I162 HydrophobicContact CB-CG1 4.07Å; V131-I162 HydrophobicContact CG2-CD1 3.55Å; H141-I162 VanDerWaalsContact NE2-CG2 3.32Å; H141-I162 WeakPolarHBondContact NE2-CG2 3.27Å; L144-I162 HydrophobicContact CD2-CD1 4.3Å; L144-I162 HydrophobicContact CD2-CG2 4.29Å; L149-I162 HydrophobicContact CD2-CG1 3.86Å; I162-F165 HydrophobicContact CG2-CE1 4.12Å; I162-F165 HydrophobicContact CG2-CZ 4.2Å
163T79.6Confident73.7Confident18 Ų1865.5 Ų65.511%0.1134%0.343CS..  trans-123.9159-180670000111.1V81 V100 N148 L150 M161V81-T163 HydrophobicContact CB-CG2 4.42Å; V100-T163 HydrophobicContact CG2-CG2 4.31Å; N148-T163 WeakPolarHBondContact CB-O 3.48Å; N148-T163 PolarHBondContact O-N 3.14Å; N148-T163 PolarHBondContact O-OG1 3.08Å; L150-T163 HydrophobicContact CB-CG2 4.21Å; L150-T163 HydrophobicContact CD1-CG2 4.1Å; L150-T163 HydrophobicContact CG-CG2 4.19Å; M161-T163 HydrophobicContact CB-CG2 4.33Å
164D71.8Confident71.4Confident65 Ų6565.7 Ų65.735%0.34835%0.352SS..  trans57.784.1-177.8-159.910.5000117.8K52 G166K52-D164 IonicContact NZ-OD1 2.7Å; K52-D164 PolarHBondContact NZ-OD1 2.82Å; K52-D164 IonicContact NZ-OD2 3.65Å; D164-G166 PolarHBondContact O-N 3Å; D164-G166 WeakPolarHBondContact OD1-CA 3.48Å; D164-G166 PolarHBondContact OD1-N 2.71Å
165F66.5Low69.3Low10 Ų1065 Ų654%0.04435%0.346CS..  trans-76.912.6168.3-59.4-68.8000114.7L72 I75 I80 V81 L134 H141 I162 L167 S168L72-F165 HydrophobicContact CD1-CB 4.42Å; L72-F165 HydrophobicContact CD2-CB 3.81Å; L72-F165 HydrophobicContact CD2-CD2 3.86Å; L72-F165 HydrophobicContact CD2-CG 3.8Å; I75-F165 HydrophobicContact CD1-CE2 4.26Å; I75-F165 HydrophobicContact CD1-CZ 4.47Å; I80-F165 HydrophobicContact CB-CZ 4.47Å; I80-F165 HydrophobicContact CG1-CZ 4.36Å; I80-F165 HydrophobicContact CG2-CE2 3.83Å; I80-F165 HydrophobicContact CG2-CZ 3.64Å; V81-F165 HydrophobicContact CG1-CD2 4.42Å; V81-F165 HydrophobicContact CG1-CE2 3.81Å; L134-F165 HydrophobicContact CD1-CE1 3.78Å; L134-F165 HydrophobicContact CD2-CE1 4.08Å; H141-F165 AromaticContact CD2-CD1 3.76Å; H141-F165 AromaticContact CD2-CE1 3.67Å; H141-F165 AromaticContact NE2-CD1 3.99Å; I162-F165 HydrophobicContact CG2-CE1 4.12Å; I162-F165 HydrophobicContact CG2-CZ 4.2Å; F165-L167 PolarHBondContact O-N 3.22Å; F165-S168 WeakPolarHBondContact O-CB 3.31Å; F165-S168 PolarHBondContact O-N 2.67Å; F165-S168 PolarHBondContact O-OG 3.04Å
166G55.1Low67.4Low41 Ų4159.7 Ų59.742%0.42332%0.322SS..THydrogen-bonded Turntrans-64.2-7.2-168.400000117.5D164D164-G166 PolarHBondContact O-N 3Å; D164-G166 WeakPolarHBondContact OD1-CA 3.48Å; D164-G166 PolarHBondContact OD1-N 2.71Å
167L52.7Low65.6Low80 Ų8057.6 Ų57.642%0.41932%0.322SS..THydrogen-bonded Turntrans-117.81.2170.9-67.9175000112.9R142 D143 F165R142-L167 VanDerWaalsContact CD-O 3.27Å; R142-L167 WeakPolarHBondContact CD-O 3.44Å; R142-L167 PolarHBondContact NH1-O 2.87Å; D143-L167 HydrophobicContact CB-CB 4.37Å; D143-L167 HydrophobicContact CB-CD1 3.74Å; F165-L167 PolarHBondContact O-N 3.22Å
168S55.4Low63.7Low6 Ų655.1 Ų55.14%0.04231%0.312CS..  trans-61.2153-178.682.90000111E68 V140 F165E68-S168 PolarHBondContact OE1-OG 3.09Å; V140-S168 VanDerWaalsContact O-CA 3.27Å; V140-S168 WeakPolarHBondContact O-CA 3.23Å; V140-S168 WeakPolarHBondContact O-CB 3.35Å; F165-S168 WeakPolarHBondContact O-CB 3.31Å; F165-S168 PolarHBondContact O-N 2.67Å; F165-S168 PolarHBondContact O-OG 3.04Å
169K57.1Low61.6Low97 Ų9758 Ų5842%0.42234%0.336SS..EExtended strand (participates in β ladder)trans-152.2143.4178.2-159.1172.9-179173.80111V140 R142 M176V140-K169 PolarHBondContact N-O 3Å; V140-K169 PolarHBondContact O-N 2.91Å; V140-K169 VanDerWaalsContact O-N 3.15Å; R142-K169 VanDerWaalsContact CZ-CB 3.43Å; K169-M176 HydrophobicContact CB-CE 3.92Å; K169-M176 HydrophobicContact CG-CE 4.28Å; K169-M176 WeakPolarHBondContact O-CE 3.48Å
170M50.4Low59.6Low57 Ų5755.3 Ų55.328%0.28133%0.328SS..EExtended strand (participates in β ladder)trans-66.6138.5166.5-82.6-174.1-95.200111.5N67 V71 G138 Q172 M176N67-M170 VanDerWaalsContact C-CE 3.45Å; N67-M170 HydrophobicContact CB-CE 3.75Å; N67-M170 VanDerWaalsContact O-CE 3.22Å; N67-M170 WeakPolarHBondContact O-CE 3.32Å; V71-M170 HydrophobicContact CB-CE 4.4Å; V71-M170 HydrophobicContact CG2-CE 3.59Å; V71-M170 HydrophobicContact CG2-CG 4.36Å; V71-M170 HydrophobicContact CG2-SD 3.64Å; G138-M170 WeakPolarHBondContact O-CA 3.1Å; M170-Q172 PolarHBondContact O-N 3.18Å; M170-M176 VanDerWaalsContact O-CE 3.27Å; M170-M176 WeakPolarHBondContact O-CE 3.01Å
171E50.4Low57.7Low63 Ų6356.6 Ų56.629%0.29434%0.341SS..  trans-69.592.4170.6-172.5167.6-120.900111.1G138 M176 K198G138-E171 PolarHBondContact O-N 3.49Å; E171-M176 HydrophobicContact CB-CE 4.33Å; E171-K198 WeakPolarHBondContact OE2-CE 3.44Å; E171-K198 IonicContact OE2-NZ 2.6Å; E171-K198 PolarHBondContact OE2-NZ 2.79Å
172Q46.4Very low56.2Low143 Ų14358.4 Ų58.467%0.66835%0.353SS*.SBendtrans-87.9107.8168.1-66.3-171.63.900109.2M170 G174M170-Q172 PolarHBondContact O-N 3.18Å; Q172-G174 PolarHBondContact O-N 3.02Å
173N40.8Very low54.7Low162 Ų16261.7 Ų61.787%0.86637%0.374SS*.THydrogen-bonded Turntrans5639.7173.7-59.9-9.8000115.6V175N173-V175 VanDerWaalsContact C-N 3.25Å; N173-V175 PolarHBondContact O-N 3.26Å; N173-V175 VanDerWaalsContact O-N 3.09Å
174G44.8Very low54.2Low42 Ų4261.2 Ų61.243%0.43337%0.373SS..THydrogen-bonded Turntrans68.98.5162.800000117.1Q172Q172-G174 PolarHBondContact O-N 3.02Å
175V45.7Very low54.5Low84 Ų8459.6 Ų59.651%0.50936%0.362SS..  trans-138.9116.7-176.7170.50000110.8N173 P195N173-V175 VanDerWaalsContact C-N 3.25Å; N173-V175 PolarHBondContact O-N 3.26Å; N173-V175 VanDerWaalsContact O-N 3.09Å; V175-P195 HydrophobicContact CB-CB 4.14Å; V175-P195 HydrophobicContact CG1-CB 3.68Å; V175-P195 HydrophobicContact CG1-CG 3.7Å; V175-P195 HydrophobicContact CG2-CB 3.94Å; V175-P195 HydrophobicContact CG2-CG 4.27Å
176M51.5Low55.1Low11 Ų1160 Ų605%0.05437%0.365CS..BIsolated β-bridgetrans-115.5137.2171.2-60.8179162.700110.5V140 R142 K169 M170 E171 P195 Y196V140-M176 HydrophobicContact CB-CE 4.4Å; V140-M176 HydrophobicContact CB-SD 4.47Å; V140-M176 HydrophobicContact CG2-CE 3.9Å; V140-M176 HydrophobicContact CG2-SD 4.18Å; R142-M176 PolarHBondContact NE-SD 3.1Å; R142-M176 PolarHBondContact NH2-SD 3.36Å; K169-M176 HydrophobicContact CB-CE 3.92Å; K169-M176 HydrophobicContact CG-CE 4.28Å; K169-M176 WeakPolarHBondContact O-CE 3.48Å; M170-M176 VanDerWaalsContact O-CE 3.27Å; M170-M176 WeakPolarHBondContact O-CE 3.01Å; E171-M176 HydrophobicContact CB-CE 4.33Å; M176-P195 WeakPolarHBondContact O-CA 3.43Å; M176-Y196 HydrophobicContact CB-CD1 4.22Å; M176-Y196 HydrophobicContact CB-CD2 3.76Å; M176-Y196 HydrophobicContact CB-CE1 3.95Å; M176-Y196 HydrophobicContact CB-CE2 3.44Å; M176-Y196 VanDerWaalsContact CB-CE2 3.44Å; M176-Y196 HydrophobicContact CB-CG 4.12Å; M176-Y196 WeakPolarHBondContact CB-O 3.33Å; M176-Y196 HydrophobicContact CG-CE2 4.24Å; M176-Y196 PolarHBondContact N-O 3.21Å; M176-Y196 WeakPolarHBondContact O-CD1 3.23Å; M176-Y196 WeakPolarHBondContact O-CE1 3.33Å; M176-Y196 PolarHBondContact O-N 3.45Å; M176-Y196 HydrophobicContact SD-CD2 4.19Å; M176-Y196 HydrophobicContact SD-CE2 3.78Å
177S48.2Very low56Low94 Ų9458.1 Ų58.166%0.65735%0.346SS*.  trans-125.3-9.2-167.5560000116.2
178T50.2Low57.3Low82 Ų8254.8 Ų54.850%0.50333%0.329SS..  trans-83.6120.8-178.9-45.80000110.5C180 Y196T178-C180 PolarHBondContact O-N 2.85Å; T178-Y196 WeakPolarHBondContact O-CE1 3.35Å; T178-Y196 VanDerWaalsContact O-CZ 3.25Å; T178-Y196 PolarHBondContact O-OH 3.28Å
179A50.6Low58.4Low70 Ų7055 Ų5558%0.57933%0.329SS*.  trans-65.4123.7171.100000110.2
180C53.1Low59.3Low33 Ų3350.9 Ų50.922%0.22331%0.312CS..  trans-155.4157.5177.556.10000109.9T178T178-C180 PolarHBondContact O-N 2.85Å
181G57.1Low60.2Low27 Ų2749.9 Ų49.928%0.27831%0.308SS..SBendtrans117158.7-179.200000113.2D143D143-G181 WeakPolarHBondContact OD1-CA 3.47Å
182T61.3Low61Low41 Ų4149 Ų4925%0.25231%0.312SS..  trans-77.7126.3-175.3-560000112.1D143 K145 G184 Y185 V186D143-T182 PolarHBondContact OD1-N 3.15Å; D143-T182 PolarHBondContact OD1-OG1 2.41Å; K145-T182 WeakPolarHBondContact CD-OG1 3.49Å; T182-G184 PolarHBondContact O-N 3.36Å; T182-Y185 HydrophobicContact CG2-CD2 4.25Å; T182-Y185 PolarHBondContact O-N 2.94Å; T182-Y185 VanDerWaalsContact O-N 3.15Å; T182-V186 WeakPolarHBondContact O-CG2 3.42Å
183P59.6Low61.9Low69 Ų6949.6 Ų49.645%0.44831%0.314SS..THydrogen-bonded Turntrans-51.7134.8-179.5-28.335.1000113.4
184G70.7Confident63Low9 Ų947.9 Ų47.99%0.09330%0.299CS..THydrogen-bonded Turntrans98.1-26.2-174.200000114.8T182T182-G184 PolarHBondContact O-N 3.36Å
185Y77.3Confident63.7Low31 Ų3149.8 Ų49.812%0.12230%0.304CS..SBendtrans-103.4-3.7177.2-59.7-85.6000113.7K145 P146 T182 S204 V207 I208 I211K145-Y185 HydrophobicContact CB-CD2 4.35Å; K145-Y185 HydrophobicContact CB-CG 4.44Å; P146-Y185 VanDerWaalsContact CD-CE1 3.5Å; P146-Y185 VanDerWaalsContact CD-CZ 3.47Å; P146-Y185 WeakPolarHBondContact CD-OH 3.27Å; P146-Y185 HydrophobicContact CG-CE1 3.99Å; P146-Y185 WeakPolarHBondContact CG-OH 3.49Å; T182-Y185 HydrophobicContact CG2-CD2 4.25Å; T182-Y185 PolarHBondContact O-N 2.94Å; T182-Y185 VanDerWaalsContact O-N 3.15Å; Y185-S204 PolarHBondContact O-OG 3.2Å; Y185-V207 HydrophobicContact CD1-CB 4.03Å; Y185-V207 HydrophobicContact CD1-CG1 3.44Å; Y185-V207 VanDerWaalsContact CD1-CG1 3.44Å; Y185-V207 HydrophobicContact CE1-CG1 3.63Å; Y185-V207 HydrophobicContact CG-CG1 4.32Å; Y185-I208 HydrophobicContact CD1-CG1 4.36Å; Y185-I208 HydrophobicContact CE1-CG1 4.27Å; Y185-I211 HydrophobicContact CE1-CD1 3.56Å; Y185-I211 WeakPolarHBondContact OH-CD1 3.44Å
186V78.1Confident64.5Low18 Ų1846.1 Ų46.111%0.10928%0.281CS..SBendtrans-85.6132.7-174.4174.90000111.2T182 V190 L191 W203T182-V186 WeakPolarHBondContact O-CG2 3.42Å; V186-V190 HydrophobicContact CG1-CB 3.55Å; V186-V190 HydrophobicContact CG1-CG1 3.66Å; V186-V190 HydrophobicContact CG1-CG2 4.28Å; V186-L191 HydrophobicContact CB-CD2 4.41Å; V186-L191 HydrophobicContact CG1-CD2 3.81Å; V186-L191 HydrophobicContact CG1-CG 4.01Å; V186-W203 PolarHBondContact O-NE1 3.33Å
187A75.2Confident65.5Low1 Ų147.5 Ų47.51%0.00829%0.292CS..  trans-69.2150.6-18000000113.3E189 V190 L191 V200 W203A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 WeakPolarHBondContact CB-OE1 3.36Å; A187-E189 WeakPolarHBondContact CB-OE2 3.21Å; A187-E189 PolarHBondContact O-N 3.36Å; A187-V190 HydrophobicContact CB-CG2 4.42Å; A187-V190 WeakPolarHBondContact O-CB 3.14Å; A187-V190 PolarHBondContact O-N 3.42Å; A187-L191 PolarHBondContact O-N 2.79Å; A187-V200 HydrophobicContact CB-CB 4.14Å; A187-V200 HydrophobicContact CB-CG1 4.05Å; A187-W203 HydrophobicContact CB-CB 3.8Å; A187-W203 HydrophobicContact CB-CD2 4.23Å; A187-W203 HydrophobicContact CB-CG 3.72Å
188P79.1Confident67.4Low10 Ų1045.8 Ų45.87%0.06527%0.273CS..Hα-helixtrans-59.9-32-174.722-33.3000113.9V190 L191 A192 W203 I231 K260P188-V190 VanDerWaalsContact C-N 3.35Å; P188-V190 PolarHBondContact O-N 3.45Å; P188-L191 PolarHBondContact O-N 2.7Å; P188-A192 WeakPolarHBondContact O-CB 3.41Å; P188-A192 PolarHBondContact O-N 3.38Å; P188-W203 HydrophobicContact CG-CE3 4.44Å; P188-W203 HydrophobicContact CG-CH2 4.11Å; P188-W203 HydrophobicContact CG-CZ3 4.04Å; P188-I231 HydrophobicContact CB-CG2 4.17Å; P188-K260 HydrophobicContact CG-CB 4.49Å
189E79Confident69.3Low11 Ų1142.5 Ų42.55%0.05125%0.254CS..Hα-helixtrans-66.5-32.3176.963.9-86.4-161.700113.6A187 A192 Q193 K194 V200 R265A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 WeakPolarHBondContact CB-OE1 3.36Å; A187-E189 WeakPolarHBondContact CB-OE2 3.21Å; A187-E189 PolarHBondContact O-N 3.36Å; E189-A192 CarbonylContact O-C 3.41Å; E189-A192 PolarHBondContact O-N 3.02Å; E189-Q193 PolarHBondContact O-N 3.28Å; E189-K194 HydrophobicContact CB-CB 4.34Å; E189-K194 HydrophobicContact CB-CD 4.43Å; E189-K194 WeakPolarHBondContact O-CB 3.36Å; E189-K194 PolarHBondContact O-N 3.47Å; E189-V200 HydrophobicContact CG-CG1 4.36Å; E189-R265 IonicContact OE1-CZ 2.8Å; E189-R265 IonicContact OE1-NH1 3.82Å; E189-R265 PolarHBondContact OE1-NH1 3.43Å; E189-R265 IonicContact OE1-NH2 3.7Å; E189-R265 IonicContact OE2-CZ 3.61Å; E189-R265 IonicContact OE2-NH1 3.74Å; E189-R265 IonicContact OE2-NH2 3.81Å; E189-R265 PolarHBondContact OE2-NH2 3.48Å
190V75.7Confident71.2Confident10 Ų1039.5 Ų39.56%0.06123%0.228CC..Hα-helixtrans-70-41.5175.6-177.60000110V186 A187 P188 A192 Q193 Y196 V200V186-V190 HydrophobicContact CG1-CB 3.55Å; V186-V190 HydrophobicContact CG1-CG1 3.66Å; V186-V190 HydrophobicContact CG1-CG2 4.28Å; A187-V190 HydrophobicContact CB-CG2 4.42Å; A187-V190 WeakPolarHBondContact O-CB 3.14Å; A187-V190 PolarHBondContact O-N 3.42Å; P188-V190 VanDerWaalsContact C-N 3.35Å; P188-V190 PolarHBondContact O-N 3.45Å; V190-A192 PolarHBondContact O-N 3.26Å; V190-Q193 PolarHBondContact O-N 3.43Å; V190-Y196 HydrophobicContact CG2-CD1 4.09Å; V190-Y196 HydrophobicContact CG2-CD2 4.49Å; V190-Y196 HydrophobicContact CG2-CG 3.94Å; V190-V200 HydrophobicContact CG2-CB 4.36Å; V190-V200 HydrophobicContact CG2-CG1 3.55Å
191L70.4Confident73.1Confident36 Ų3638 Ų3819%0.18822%0.218CC..Hα-helixtrans-68.1-17.4173.7-57.3179.1000113.4V186 A187 P188 Q193 F228 I231 K232V186-L191 HydrophobicContact CB-CD2 4.41Å; V186-L191 HydrophobicContact CG1-CD2 3.81Å; V186-L191 HydrophobicContact CG1-CG 4.01Å; A187-L191 PolarHBondContact O-N 2.79Å; P188-L191 PolarHBondContact O-N 2.7Å; L191-Q193 VanDerWaalsContact C-N 3.34Å; L191-F228 HydrophobicContact CD1-CB 4.14Å; L191-F228 HydrophobicContact CD1-CD1 3.56Å; L191-F228 HydrophobicContact CD1-CE1 4.37Å; L191-F228 HydrophobicContact CD1-CG 4.19Å; L191-F228 HydrophobicContact CD2-CD1 3.59Å; L191-F228 HydrophobicContact CD2-CE1 3.64Å; L191-F228 HydrophobicContact CD2-CG 4.35Å; L191-F228 HydrophobicContact CD2-CZ 4.45Å; L191-F228 HydrophobicContact CG-CD1 4.2Å; L191-I231 HydrophobicContact CD1-CB 3.91Å; L191-I231 HydrophobicContact CD1-CD1 4.15Å; L191-I231 HydrophobicContact CD1-CG2 3.55Å; L191-K232 VanDerWaalsContact O-CE 3.27Å; L191-K232 WeakPolarHBondContact O-CE 3.44Å; L191-K232 PolarHBondContact O-NZ 3.27Å
192A67.1Low75Confident46 Ų4636.7 Ų36.738%0.3821%0.205SC..THydrogen-bonded Turntrans-90.53.2171.200000112.8P188 E189 V190 K194P188-A192 WeakPolarHBondContact O-CB 3.41Å; P188-A192 PolarHBondContact O-N 3.38Å; E189-A192 CarbonylContact O-C 3.41Å; E189-A192 PolarHBondContact O-N 3.02Å; V190-A192 PolarHBondContact O-N 3.26Å; A192-K194 HydrophobicContact CB-CD 4.16Å; A192-K194 HydrophobicContact CB-CG 3.95Å; A192-K194 PolarHBondContact O-N 3.23Å; A192-K194 VanDerWaalsContact O-N 3.1Å
193Q65Low76.6Confident154 Ų15434.8 Ų34.872%0.7219%0.193SC*.THydrogen-bonded Turntrans52.527-174.6-58.9-178.8-3.300113.3E189 V190 L191E189-Q193 PolarHBondContact O-N 3.28Å; V190-Q193 PolarHBondContact O-N 3.43Å; L191-Q193 VanDerWaalsContact C-N 3.34Å
194K62.7Low78.2Confident126 Ų12631.8 Ų31.855%0.54817%0.174SC..  trans-75.7157.3176.4-70179.9-179.9179.30109.9E189 A192 Y196E189-K194 HydrophobicContact CB-CB 4.34Å; E189-K194 HydrophobicContact CB-CD 4.43Å; E189-K194 WeakPolarHBondContact O-CB 3.36Å; E189-K194 PolarHBondContact O-N 3.47Å; A192-K194 HydrophobicContact CB-CD 4.16Å; A192-K194 HydrophobicContact CB-CG 3.95Å; A192-K194 PolarHBondContact O-N 3.23Å; A192-K194 VanDerWaalsContact O-N 3.1Å; K194-Y196 PolarHBondContact O-N 3.45Å; K194-Y196 VanDerWaalsContact O-N 3.09Å
195P59.6Low79.4Confident82 Ų8231.4 Ų31.453%0.53217%0.169SC..  trans-42.2116.4156-31.238.7000111.2V175 M176V175-P195 HydrophobicContact CB-CB 4.14Å; V175-P195 HydrophobicContact CG1-CB 3.68Å; V175-P195 HydrophobicContact CG1-CG 3.7Å; V175-P195 HydrophobicContact CG2-CB 3.94Å; V175-P195 HydrophobicContact CG2-CG 4.27Å; M176-P195 WeakPolarHBondContact O-CA 3.43Å
196Y62.7Low80.4Confident8 Ų829.9 Ų29.93%0.03116%0.163CC..BIsolated β-bridgetrans-113.7155.7176.463.3-97.2000111.6R142 M176 T178 V190 K194 V200R142-Y196 HydrophobicContact CG-CE2 4.35Å; R142-Y196 PolarHBondContact NH2-OH 2.99Å; M176-Y196 HydrophobicContact CB-CD1 4.22Å; M176-Y196 HydrophobicContact CB-CD2 3.76Å; M176-Y196 HydrophobicContact CB-CE1 3.95Å; M176-Y196 HydrophobicContact CB-CE2 3.44Å; M176-Y196 VanDerWaalsContact CB-CE2 3.44Å; M176-Y196 HydrophobicContact CB-CG 4.12Å; M176-Y196 WeakPolarHBondContact CB-O 3.33Å; M176-Y196 HydrophobicContact CG-CE2 4.24Å; M176-Y196 PolarHBondContact N-O 3.21Å; M176-Y196 WeakPolarHBondContact O-CD1 3.23Å; M176-Y196 WeakPolarHBondContact O-CE1 3.33Å; M176-Y196 PolarHBondContact O-N 3.45Å; M176-Y196 HydrophobicContact SD-CD2 4.19Å; M176-Y196 HydrophobicContact SD-CE2 3.78Å; T178-Y196 WeakPolarHBondContact O-CE1 3.35Å; T178-Y196 VanDerWaalsContact O-CZ 3.25Å; T178-Y196 PolarHBondContact O-OH 3.28Å; V190-Y196 HydrophobicContact CG2-CD1 4.09Å; V190-Y196 HydrophobicContact CG2-CD2 4.49Å; V190-Y196 HydrophobicContact CG2-CG 3.94Å; K194-Y196 PolarHBondContact O-N 3.45Å; K194-Y196 VanDerWaalsContact O-N 3.09Å; Y196-V200 HydrophobicContact CD2-CG1 4.18Å; Y196-V200 HydrophobicContact CD2-CG2 4.47Å; Y196-V200 HydrophobicContact CG-CG1 4.25Å
197S73.6Confident81.2Confident40 Ų4029 Ų2928%0.2816%0.158SC..  trans-137.4-169-170.571.80000110.6A199 V200S197-A199 PolarHBondContact O-N 2.99Å; S197-A199 PolarHBondContact OG-N 3.13Å; S197-V200 WeakPolarHBondContact O-CG2 3.47Å; S197-V200 PolarHBondContact O-N 2.99Å; S197-V200 VanDerWaalsContact O-N 3.13Å
198K87.9Confident82.1Confident58 Ų5829 Ų2925%0.25216%0.158SC..THydrogen-bonded Turntrans-44.9-28170.9-68.7164.4-171.4173.70114.8H135 V140 E171 V200 D201H135-K198 HydrophobicContact CB-CD 3.91Å; H135-K198 HydrophobicContact CB-CG 4.16Å; H135-K198 PolarHBondContact CE1-O 3.23Å; H135-K198 WeakPolarHBondContact O-CE 3.46Å; H135-K198 PolarHBondContact O-NZ 3.1Å; V140-K198 HydrophobicContact CG2-CG 4.01Å; E171-K198 WeakPolarHBondContact OE2-CE 3.44Å; E171-K198 IonicContact OE2-NZ 2.6Å; E171-K198 PolarHBondContact OE2-NZ 2.79Å; K198-V200 PolarHBondContact O-N 3.26Å; K198-V200 VanDerWaalsContact O-N 3.17Å; K198-D201 PolarHBondContact O-N 2.94Å
199A90.6Very high83.1Confident13 Ų1328.6 Ų28.611%0.10716%0.155CC..Hα-helixtrans-61.2-21.6179.200000114.6S197 C202 W203 P262 R265S197-A199 PolarHBondContact O-N 2.99Å; S197-A199 PolarHBondContact OG-N 3.13Å; A199-C202 PolarHBondContact O-N 2.57Å; A199-W203 PolarHBondContact O-N 3.48Å; A199-P262 HydrophobicContact CB-CB 3.75Å; A199-R265 WeakPolarHBondContact O-CD 3.44Å; A199-R265 PolarHBondContact O-NH1 2.83Å
200V89.9Confident83.9Confident7 Ų728 Ų284%0.04215%0.153CC..Hα-helixtrans-69.1-37.6178.4-54.80000112.3V140 A187 E189 V190 Y196 S197 K198 C202 W203 S204V140-V200 HydrophobicContact CG1-CG2 4Å; A187-V200 HydrophobicContact CB-CB 4.14Å; A187-V200 HydrophobicContact CB-CG1 4.05Å; E189-V200 HydrophobicContact CG-CG1 4.36Å; V190-V200 HydrophobicContact CG2-CB 4.36Å; V190-V200 HydrophobicContact CG2-CG1 3.55Å; Y196-V200 HydrophobicContact CD2-CG1 4.18Å; Y196-V200 HydrophobicContact CD2-CG2 4.47Å; Y196-V200 HydrophobicContact CG-CG1 4.25Å; S197-V200 WeakPolarHBondContact O-CG2 3.47Å; S197-V200 PolarHBondContact O-N 2.99Å; S197-V200 VanDerWaalsContact O-N 3.13Å; K198-V200 PolarHBondContact O-N 3.26Å; K198-V200 VanDerWaalsContact O-N 3.17Å; V200-C202 VanDerWaalsContact C-N 3.3Å; V200-C202 PolarHBondContact O-N 2.97Å; V200-W203 WeakPolarHBondContact O-CB 3.26Å; V200-W203 PolarHBondContact O-N 2.99Å; V200-S204 PolarHBondContact O-N 3.42Å; V200-S204 VanDerWaalsContact O-N 3.1Å; V200-S204 PolarHBondContact O-OG 3.1Å
201D92.3Very high84.8Confident0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-65.6-38.9178.3-65.8-23.3000109.9V131 H135 V140 H141 R142 L144 K198 W203 S204 I205V131-D201 HydrophobicContact CG1-CB 3.83Å; H135-D201 IonicContact CD2-OD2 3.75Å; H135-D201 IonicContact CE1-OD2 2.73Å; H135-D201 IonicContact NE2-OD2 3.98Å; H135-D201 PolarHBondContact NE2-OD2 3.06Å; V140-D201 VanDerWaalsContact CG1-OD2 3.23Å; V140-D201 WeakPolarHBondContact CG1-OD2 3.34Å; H141-D201 PolarHBondContact N-OD1 3.1Å; H141-D201 PolarHBondContact N-OD2 3.09Å; R142-D201 PolarHBondContact N-OD1 3.42Å; L144-D201 HydrophobicContact CD1-CB 3.78Å; K198-D201 PolarHBondContact O-N 2.94Å; D201-W203 VanDerWaalsContact C-N 3.33Å; D201-W203 PolarHBondContact O-N 3.33Å; D201-S204 PolarHBondContact O-N 3.03Å; D201-I205 VanDerWaalsContact O-CG1 3.31Å; D201-I205 WeakPolarHBondContact O-CG1 3.48Å; D201-I205 PolarHBondContact O-N 2.92Å
202C96.6Very high86Confident1 Ų126 Ų261%0.00714%0.141CC..Hα-helixtrans-60.3-40.4174.9-58.30000112.3A199 V200 I205 G206 L257 Y266A199-C202 PolarHBondContact O-N 2.57Å; V200-C202 VanDerWaalsContact C-N 3.3Å; V200-C202 PolarHBondContact O-N 2.97Å; C202-I205 PolarHBondContact O-N 3.18Å; C202-G206 PolarHBondContact O-N 3.19Å; C202-L257 HydrophobicContact CB-CD2 4.04Å; C202-Y266 WeakPolarHBondContact CB-O 3.42Å; C202-Y266 PolarHBondContact SG-O 3.47Å
203W95Very high87.5Confident0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-62.1-47173.8177.1-82.7000111.4V186 A187 P188 A199 V200 D201 I205 G206 V207 F219 I231 L258V186-W203 PolarHBondContact O-NE1 3.33Å; A187-W203 HydrophobicContact CB-CB 3.8Å; A187-W203 HydrophobicContact CB-CD2 4.23Å; A187-W203 HydrophobicContact CB-CG 3.72Å; P188-W203 HydrophobicContact CG-CE3 4.44Å; P188-W203 HydrophobicContact CG-CH2 4.11Å; P188-W203 HydrophobicContact CG-CZ3 4.04Å; A199-W203 PolarHBondContact O-N 3.48Å; V200-W203 WeakPolarHBondContact O-CB 3.26Å; V200-W203 PolarHBondContact O-N 2.99Å; D201-W203 VanDerWaalsContact C-N 3.33Å; D201-W203 PolarHBondContact O-N 3.33Å; W203-I205 VanDerWaalsContact C-N 3.29Å; W203-I205 PolarHBondContact O-N 3.4Å; W203-G206 WeakPolarHBondContact O-CA 3.42Å; W203-G206 PolarHBondContact O-N 3.26Å; W203-V207 PolarHBondContact O-N 3.27Å; W203-F219 HydrophobicContact CH2-CE2 4.33Å; W203-F219 HydrophobicContact CH2-CZ 4Å; W203-F219 AromaticContact CZ2-CE2 3.54Å; W203-F219 HydrophobicContact CZ2-CE2 3.54Å; W203-F219 AromaticContact CZ2-CZ 3.66Å; W203-F219 HydrophobicContact CZ2-CZ 3.66Å; W203-I231 HydrophobicContact CZ2-CG2 3.97Å; W203-L258 HydrophobicContact CD2-CD2 3.83Å; W203-L258 HydrophobicContact CE3-CB 4.49Å; W203-L258 HydrophobicContact CE3-CD2 4.09Å; W203-L258 HydrophobicContact CG-CD2 4.24Å; W203-L258 HydrophobicContact CZ2-CD2 4.26Å; W203-L258 VanDerWaalsContact CZ3-C 3.47Å; W203-L258 HydrophobicContact CZ3-CB 4.27Å; W203-L258 HydrophobicContact CZ3-CD2 4.43Å; W203-L258 VanDerWaalsContact CZ3-O 3.22Å; W203-L258 WeakPolarHBondContact CZ3-O 3.39Å
204S93.4Very high88.9Confident7 Ų716.5 Ų16.55%0.0499%0.089CC..Hα-helixtrans-60.6-37.2177.3-54.20000112.3Y185 V200 D201 G206 V207 I208Y185-S204 PolarHBondContact O-OG 3.2Å; V200-S204 PolarHBondContact O-N 3.42Å; V200-S204 VanDerWaalsContact O-N 3.1Å; V200-S204 PolarHBondContact O-OG 3.1Å; D201-S204 PolarHBondContact O-N 3.03Å; S204-G206 VanDerWaalsContact C-N 3.35Å; S204-V207 PolarHBondContact O-N 3.29Å; S204-I208 VanDerWaalsContact O-CG1 3.27Å; S204-I208 WeakPolarHBondContact O-CG1 3.48Å; S204-I208 PolarHBondContact O-N 3.39Å
205I97.1Very high90.3Very high0 Ų010.5 Ų10.50%06%0.063CC..Hα-helixtrans-63.4-39.6171.9-63.6168.1000111I124 V127 L128 V131 L144 D201 C202 W203 I208 T209 L257I124-I205 HydrophobicContact CD1-CG2 4.26Å; I124-I205 HydrophobicContact CG2-CG2 4.1Å; V127-I205 HydrophobicContact CG1-CD1 4.13Å; V127-I205 HydrophobicContact CG1-CG1 3.97Å; L128-I205 HydrophobicContact CD2-CD1 3.94Å; L128-I205 HydrophobicContact CD2-CG2 4.11Å; L128-I205 HydrophobicContact CG-CG2 4.41Å; V131-I205 HydrophobicContact CB-CD1 4.11Å; V131-I205 HydrophobicContact CG1-CD1 4.18Å; V131-I205 HydrophobicContact CG2-CD1 4.06Å; L144-I205 HydrophobicContact CD1-CD1 4.29Å; L144-I205 HydrophobicContact CD1-CG1 3.96Å; D201-I205 VanDerWaalsContact O-CG1 3.31Å; D201-I205 WeakPolarHBondContact O-CG1 3.48Å; D201-I205 PolarHBondContact O-N 2.92Å; C202-I205 PolarHBondContact O-N 3.18Å; W203-I205 VanDerWaalsContact C-N 3.29Å; W203-I205 PolarHBondContact O-N 3.4Å; I205-I208 PolarHBondContact O-N 3.29Å; I205-T209 WeakPolarHBondContact O-CB 3.46Å; I205-T209 PolarHBondContact O-N 3.07Å; I205-T209 PolarHBondContact O-OG1 3.11Å; I205-L257 HydrophobicContact CG2-CD1 4.01Å
206G97.6Very high91.8Very high0 Ų07.9 Ų7.90%04%0.043CC..Hα-helixtrans-59.4-45.2172.800000112.7C202 W203 S204 T209 Y210C202-G206 PolarHBondContact O-N 3.19Å; W203-G206 WeakPolarHBondContact O-CA 3.42Å; W203-G206 PolarHBondContact O-N 3.26Å; S204-G206 VanDerWaalsContact C-N 3.35Å; G206-T209 PolarHBondContact O-N 3.11Å; G206-Y210 PolarHBondContact O-N 3Å
207V95Very high93.1Very high0 Ų09.3 Ų9.30%05%0.053CC..Hα-helixtrans-62.8-44.9175.9177.90000111.2Y185 W203 S204 Y210 I211 P218 L258Y185-V207 HydrophobicContact CD1-CB 4.03Å; Y185-V207 HydrophobicContact CD1-CG1 3.44Å; Y185-V207 VanDerWaalsContact CD1-CG1 3.44Å; Y185-V207 HydrophobicContact CE1-CG1 3.63Å; Y185-V207 HydrophobicContact CG-CG1 4.32Å; W203-V207 PolarHBondContact O-N 3.27Å; S204-V207 PolarHBondContact O-N 3.29Å; V207-Y210 PolarHBondContact O-N 3.29Å; V207-I211 HydrophobicContact CG1-CD1 4Å; V207-I211 WeakPolarHBondContact O-CD1 3.45Å; V207-I211 VanDerWaalsContact O-CG1 3.32Å; V207-I211 WeakPolarHBondContact O-CG1 3.34Å; V207-I211 PolarHBondContact O-N 2.81Å; V207-I211 VanDerWaalsContact O-N 3.12Å; V207-P218 HydrophobicContact CG1-CG 4.17Å; V207-P218 HydrophobicContact CG2-CG 4.33Å; V207-L258 HydrophobicContact CG2-CD2 3.75Å
208I94.6Very high93.8Very high1 Ų18 Ų81%0.0054%0.043CC..Hα-helixtrans-63-42.9177.1-67.4164.1000110.7I124 L144 P146 L149 Y185 S204 I205 Y210 I211 L212I124-I208 HydrophobicContact CD1-CG2 4.19Å; L144-I208 HydrophobicContact CB-CD1 4.47Å; P146-I208 HydrophobicContact CG-CG1 4.36Å; L149-I208 HydrophobicContact CD1-CD1 4.1Å; L149-I208 HydrophobicContact CD1-CG2 4.04Å; Y185-I208 HydrophobicContact CD1-CG1 4.36Å; Y185-I208 HydrophobicContact CE1-CG1 4.27Å; S204-I208 VanDerWaalsContact O-CG1 3.27Å; S204-I208 WeakPolarHBondContact O-CG1 3.48Å; S204-I208 PolarHBondContact O-N 3.39Å; I205-I208 PolarHBondContact O-N 3.29Å; I208-Y210 VanDerWaalsContact C-N 3.34Å; I208-Y210 PolarHBondContact O-N 2.98Å; I208-I211 PolarHBondContact O-N 2.82Å; I208-L212 HydrophobicContact CG2-CD1 4.02Å; I208-L212 HydrophobicContact CG2-CG 4.37Å; I208-L212 WeakPolarHBondContact O-CG 3.41Å; I208-L212 PolarHBondContact O-N 3.18Å
209T98.2Very high93.6Very high0 Ų05.6 Ų5.60%03%0.033CC..Hα-helixtrans-61-43.3177.3-52.40000111.3I124 I205 G206 I211 L212 L213 F253 I254 W276I124-T209 VanDerWaalsContact CD1-OG1 3.27Å; I124-T209 WeakPolarHBondContact CD1-OG1 3.44Å; I124-T209 HydrophobicContact CG1-CG2 4.22Å; I124-T209 WeakPolarHBondContact CG1-OG1 3.5Å; I205-T209 WeakPolarHBondContact O-CB 3.46Å; I205-T209 PolarHBondContact O-N 3.07Å; I205-T209 PolarHBondContact O-OG1 3.11Å; G206-T209 PolarHBondContact O-N 3.11Å; T209-I211 PolarHBondContact O-N 3.43Å; T209-L212 PolarHBondContact O-N 3.07Å; T209-L213 PolarHBondContact O-N 3.29Å; T209-F253 HydrophobicContact CG2-CD1 3.97Å; T209-F253 HydrophobicContact CG2-CE1 3.84Å; T209-I254 HydrophobicContact CG2-CD1 4.07Å; T209-I254 HydrophobicContact CG2-CG1 3.74Å; T209-W276 HydrophobicContact CG2-CH2 3.85Å; T209-W276 HydrophobicContact CG2-CZ3 3.78Å
210Y97.2Very high92.8Very high0 Ų010.7 Ų10.70%05%0.05CC..Hα-helixtrans-57.7-50.5175.6-174.2-76.2000111.1G206 V207 I208 L212 L213 C214 Y216 P218 Y236 E237 F238 E239 W243 I254G206-Y210 PolarHBondContact O-N 3Å; V207-Y210 PolarHBondContact O-N 3.29Å; I208-Y210 VanDerWaalsContact C-N 3.34Å; I208-Y210 PolarHBondContact O-N 2.98Å; Y210-L212 VanDerWaalsContact C-N 3.31Å; Y210-L212 PolarHBondContact O-N 3.05Å; Y210-L213 PolarHBondContact O-N 2.92Å; Y210-L213 VanDerWaalsContact O-N 3.12Å; Y210-C214 VanDerWaalsContact CD1-SG 3.55Å; Y210-C214 WeakPolarHBondContact CE1-SG 3.44Å; Y210-C214 PolarHBondContact O-N 3.45Å; Y210-C214 PolarHBondContact O-SG 2.71Å; Y210-Y216 VanDerWaalsContact CD1-O 3.28Å; Y210-Y216 WeakPolarHBondContact CD1-O 3.45Å; Y210-Y216 AromaticContact CE1-CD2 3.96Å; Y210-Y216 HydrophobicContact CE1-CD2 3.96Å; Y210-Y216 AromaticContact CE1-CE2 3.76Å; Y210-Y216 HydrophobicContact CE1-CE2 3.76Å; Y210-Y216 WeakPolarHBondContact CE1-O 3.45Å; Y210-Y216 VanDerWaalsContact OH-CE2 3.28Å; Y210-Y216 WeakPolarHBondContact OH-CE2 3.27Å; Y210-P218 HydrophobicContact CD1-CB 3.75Å; Y210-P218 VanDerWaalsContact CD1-CD 3.49Å; Y210-P218 HydrophobicContact CD1-CG 4.05Å; Y210-P218 HydrophobicContact CD2-CB 3.78Å; Y210-P218 HydrophobicContact CD2-CG 4.45Å; Y210-P218 VanDerWaalsContact CE1-CA 3.49Å; Y210-P218 HydrophobicContact CE1-CB 3.84Å; Y210-P218 HydrophobicContact CE2-CB 3.87Å; Y210-P218 HydrophobicContact CG-CB 3.73Å; Y210-P218 HydrophobicContact CG-CG 4Å; Y210-Y236 HydrophobicContact CD2-CD2 4.5Å; Y210-Y236 HydrophobicContact CE2-CD2 4.25Å; Y210-E237 WeakPolarHBondContact CE2-O 3.11Å; Y210-E237 PolarHBondContact OH-O 2.76Å; Y210-F238 HydrophobicContact CD2-CD1 4.28Å; Y210-F238 AromaticContact CD2-CE1 3.92Å; Y210-F238 HydrophobicContact CD2-CE1 3.92Å; Y210-F238 AromaticContact CE2-CD1 3.77Å; Y210-F238 HydrophobicContact CE2-CD1 3.77Å; Y210-F238 AromaticContact CE2-CE1 3.85Å; Y210-F238 HydrophobicContact CE2-CE1 3.85Å; Y210-E239 PolarHBondContact OH-OE2 3.45Å; Y210-W243 AromaticContact CD1-CZ2 3.89Å; Y210-W243 HydrophobicContact CD1-CZ2 3.89Å; Y210-W243 AromaticContact CD2-CH2 3.82Å; Y210-W243 HydrophobicContact CD2-CH2 3.82Å; Y210-W243 AromaticContact CD2-CZ2 3.45Å; Y210-W243 HydrophobicContact CD2-CZ2 3.45Å; Y210-W243 VanDerWaalsContact CD2-CZ2 3.45Å; Y210-W243 AromaticContact CE1-CZ2 3.81Å; Y210-W243 HydrophobicContact CE1-CZ2 3.81Å; Y210-W243 AromaticContact CE2-CE2 3.83Å; Y210-W243 HydrophobicContact CE2-CH2 4.1Å; Y210-W243 AromaticContact CE2-CZ2 3.37Å; Y210-W243 HydrophobicContact CE2-CZ2 3.37Å; Y210-W243 HydrophobicContact CG-CH2 4.12Å; Y210-W243 AromaticContact CG-CZ2 3.71Å; Y210-W243 HydrophobicContact CG-CZ2 3.71Å; Y210-W243 AromaticContact CZ-CE2 3.8Å; Y210-W243 AromaticContact CZ-CZ2 3.54Å; Y210-W243 AromaticContact CZ-NE1 3.62Å; Y210-W243 PolarHBondContact OH-NE1 2.84Å; Y210-I254 HydrophobicContact CD2-CG2 4.25Å
211I94.6Very high92.3Very high2 Ų213 Ų131%0.016%0.06CC..Hα-helixtrans-64.1-35.7180-56156.5000111.4F106 Y185 V207 I208 T209 L213 G215 Y216 P217 F299F106-I211 HydrophobicContact CE1-CG2 3.92Å; F106-I211 HydrophobicContact CE2-CG2 3.93Å; F106-I211 HydrophobicContact CZ-CB 3.9Å; F106-I211 HydrophobicContact CZ-CG2 3.31Å; Y185-I211 HydrophobicContact CE1-CD1 3.56Å; Y185-I211 WeakPolarHBondContact OH-CD1 3.44Å; V207-I211 HydrophobicContact CG1-CD1 4Å; V207-I211 WeakPolarHBondContact O-CD1 3.45Å; V207-I211 VanDerWaalsContact O-CG1 3.32Å; V207-I211 WeakPolarHBondContact O-CG1 3.34Å; V207-I211 PolarHBondContact O-N 2.81Å; V207-I211 VanDerWaalsContact O-N 3.12Å; I208-I211 PolarHBondContact O-N 2.82Å; T209-I211 PolarHBondContact O-N 3.43Å; I211-L213 PolarHBondContact O-N 3.36Å; I211-G215 VanDerWaalsContact O-CA 3.27Å; I211-G215 WeakPolarHBondContact O-CA 3.31Å; I211-G215 PolarHBondContact O-N 2.97Å; I211-Y216 WeakPolarHBondContact CG1-O 3.37Å; I211-P217 HydrophobicContact CD1-CB 4.31Å; I211-P217 HydrophobicContact CG1-CB 4.26Å; I211-F299 HydrophobicContact CG2-CE2 4.29Å
212L95.8Very high91.4Very high0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-61.4-29.3176.4-75.4170.2000112.9L105 F106 I109 Y115 A120 V123 I124 I208 T209 Y210L105-L212 HydrophobicContact CD1-CD2 4.22Å; L105-L212 HydrophobicContact CD2-CD1 4.46Å; L105-L212 HydrophobicContact CD2-CD2 3.97Å; L105-L212 HydrophobicContact CG-CD2 4.07Å; F106-L212 HydrophobicContact CD1-CD2 4.46Å; F106-L212 HydrophobicContact CE1-CD2 3.72Å; F106-L212 HydrophobicContact CE1-CG 4.34Å; F106-L212 HydrophobicContact CZ-CD2 4.18Å; F106-L212 HydrophobicContact CZ-CG 4.45Å; I109-L212 HydrophobicContact CD1-CD2 3.37Å; Y115-L212 WeakPolarHBondContact CE1-O 3.2Å; A120-L212 HydrophobicContact CB-CB 4.23Å; V123-L212 HydrophobicContact CG1-CD1 4.41Å; I124-L212 HydrophobicContact CD1-CD1 3.7Å; I124-L212 HydrophobicContact CG1-CD1 3.86Å; I208-L212 HydrophobicContact CG2-CD1 4.02Å; I208-L212 HydrophobicContact CG2-CG 4.37Å; I208-L212 WeakPolarHBondContact O-CG 3.41Å; I208-L212 PolarHBondContact O-N 3.18Å; T209-L212 PolarHBondContact O-N 3.07Å; Y210-L212 VanDerWaalsContact C-N 3.31Å; Y210-L212 PolarHBondContact O-N 3.05Å
213L97.6Very high90.5Very high1 Ų124.2 Ų24.21%0.00512%0.118CC..Hα-helixtrans-93.9-20.7-176.9-63.4-176000114.8E117 A120 T209 Y210 I211 W243 I246 A250 I254 W276 I287 V291E117-L213 HydrophobicContact CB-CD2 4.43Å; E117-L213 HydrophobicContact CG-CD2 4.03Å; A120-L213 HydrophobicContact CB-CD2 3.59Å; T209-L213 PolarHBondContact O-N 3.29Å; Y210-L213 PolarHBondContact O-N 2.92Å; Y210-L213 VanDerWaalsContact O-N 3.12Å; I211-L213 PolarHBondContact O-N 3.36Å; L213-W243 HydrophobicContact CB-CH2 3.8Å; L213-W243 HydrophobicContact CB-CZ3 4.08Å; L213-W243 HydrophobicContact CD1-CH2 4.31Å; L213-W243 HydrophobicContact CD1-CZ3 4.13Å; L213-I246 HydrophobicContact CB-CD1 4.35Å; L213-I246 HydrophobicContact CD1-CG2 4.09Å; L213-A250 HydrophobicContact CD1-CB 3.65Å; L213-I254 HydrophobicContact CD1-CD1 4.03Å; L213-W276 HydrophobicContact CD1-CH2 4.4Å; L213-W276 HydrophobicContact CD1-CZ2 4.02Å; L213-W276 HydrophobicContact CD2-CZ2 4.11Å; L213-I287 HydrophobicContact CD2-CD1 4.18Å; L213-V291 VanDerWaalsContact O-CG2 3.25Å; L213-V291 WeakPolarHBondContact O-CG2 3.29Å
214C94.8Very high89.6Confident0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-129.8-13.6-177.372.60000115.4Y210 Y216 F242 W243 Q294Y210-C214 VanDerWaalsContact CD1-SG 3.55Å; Y210-C214 WeakPolarHBondContact CE1-SG 3.44Å; Y210-C214 PolarHBondContact O-N 3.45Å; Y210-C214 PolarHBondContact O-SG 2.71Å; C214-Y216 HydrophobicContact CB-CD1 3.91Å; C214-Y216 HydrophobicContact CB-CE1 3.53Å; C214-Y216 WeakPolarHBondContact O-CD1 3.29Å; C214-Y216 VanDerWaalsContact SG-CD1 3.5Å; C214-Y216 VanDerWaalsContact SG-CE1 3.53Å; C214-Y216 PolarHBondContact SG-O 3.35Å; C214-F242 HydrophobicContact CB-CB 4.46Å; C214-W243 HydrophobicContact CB-CZ2 3.7Å; C214-Q294 WeakPolarHBondContact O-CB 3.47Å; C214-Q294 WeakPolarHBondContact O-CG 3.33Å
215G92.4Very high88.8Confident0 Ų033.7 Ų33.70%017%0.17CC..SBendtrans76.516.3-179.500000116I211 Q294 I295 N298I211-G215 VanDerWaalsContact O-CA 3.27Å; I211-G215 WeakPolarHBondContact O-CA 3.31Å; I211-G215 PolarHBondContact O-N 2.97Å; G215-Q294 CarbonylContact O-C 3.31Å; G215-Q294 VanDerWaalsContact O-C 3.31Å; G215-I295 PolarHBondContact O-N 3.27Å; G215-N298 PolarHBondContact O-ND2 3.08Å
216Y90.5Very high88.1Confident27 Ų2738.2 Ų38.211%0.10619%0.19CC..SBendtrans-143.4155.6173.160.8-90.4000112Y210 I211 C214 E239 F242 W243 Q294Y210-Y216 VanDerWaalsContact CD1-O 3.28Å; Y210-Y216 WeakPolarHBondContact CD1-O 3.45Å; Y210-Y216 AromaticContact CE1-CD2 3.96Å; Y210-Y216 HydrophobicContact CE1-CD2 3.96Å; Y210-Y216 AromaticContact CE1-CE2 3.76Å; Y210-Y216 HydrophobicContact CE1-CE2 3.76Å; Y210-Y216 WeakPolarHBondContact CE1-O 3.45Å; Y210-Y216 VanDerWaalsContact OH-CE2 3.28Å; Y210-Y216 WeakPolarHBondContact OH-CE2 3.27Å; I211-Y216 WeakPolarHBondContact CG1-O 3.37Å; C214-Y216 HydrophobicContact CB-CD1 3.91Å; C214-Y216 HydrophobicContact CB-CE1 3.53Å; C214-Y216 WeakPolarHBondContact O-CD1 3.29Å; C214-Y216 VanDerWaalsContact SG-CD1 3.5Å; C214-Y216 VanDerWaalsContact SG-CE1 3.53Å; C214-Y216 PolarHBondContact SG-O 3.35Å; Y216-E239 WeakPolarHBondContact CE2-OE2 3.36Å; Y216-E239 PolarHBondContact OH-OE2 3.5Å; Y216-F242 HydrophobicContact CE1-CB 3.89Å; Y216-F242 AromaticContact CE1-CD2 3.6Å; Y216-F242 HydrophobicContact CE1-CD2 3.6Å; Y216-F242 HydrophobicContact CE1-CE2 4.33Å; Y216-F242 AromaticContact CE1-CG 3.78Å; Y216-F242 HydrophobicContact CE1-CG 3.78Å; Y216-F242 AromaticContact CZ-CD2 3.86Å; Y216-F242 WeakPolarHBondContact OH-CD2 3.19Å; Y216-W243 AromaticContact CZ-NE1 3.82Å; Y216-W243 VanDerWaalsContact OH-CD1 3.28Å; Y216-W243 PolarHBondContact OH-NE1 3.12Å; Y216-W243 VanDerWaalsContact OH-NE1 3.14Å; Y216-Q294 HydrophobicContact CD1-CG 4.38Å
217P90.8Very high87.3Confident38 Ų3839.2 Ų39.225%0.24720%0.195CC..  trans-74.5146.2178.629.6-34.4000112.3I211 F219 Y220I211-P217 HydrophobicContact CD1-CB 4.31Å; I211-P217 HydrophobicContact CG1-CB 4.26Å; P217-F219 PolarHBondContact O-N 3.34Å; P217-Y220 HydrophobicContact CG-CD2 4.44Å
218P88.5Confident86.6Confident12 Ų1242.1 Ų42.18%0.07821%0.208CC..SBendtrans-65.7-19.2-179.225-32.3000113.7V207 Y210 Y236 L258V207-P218 HydrophobicContact CG1-CG 4.17Å; V207-P218 HydrophobicContact CG2-CG 4.33Å; Y210-P218 HydrophobicContact CD1-CB 3.75Å; Y210-P218 VanDerWaalsContact CD1-CD 3.49Å; Y210-P218 HydrophobicContact CD1-CG 4.05Å; Y210-P218 HydrophobicContact CD2-CB 3.78Å; Y210-P218 HydrophobicContact CD2-CG 4.45Å; Y210-P218 VanDerWaalsContact CE1-CA 3.49Å; Y210-P218 HydrophobicContact CE1-CB 3.84Å; Y210-P218 HydrophobicContact CE2-CB 3.87Å; Y210-P218 HydrophobicContact CG-CB 3.73Å; Y210-P218 HydrophobicContact CG-CG 4Å; P218-Y236 HydrophobicContact CB-CG 4.26Å; P218-L258 HydrophobicContact CB-CD1 4.43Å; P218-L258 HydrophobicContact CG-CD1 4.26Å
219F84.2Confident86.1Confident9 Ų947.8 Ų47.84%0.03924%0.235CC..  trans-124.3108.1176.1-46.3-74000108.1W203 P217 L227 K230 I231 Y236W203-F219 HydrophobicContact CH2-CE2 4.33Å; W203-F219 HydrophobicContact CH2-CZ 4Å; W203-F219 AromaticContact CZ2-CE2 3.54Å; W203-F219 HydrophobicContact CZ2-CE2 3.54Å; W203-F219 AromaticContact CZ2-CZ 3.66Å; W203-F219 HydrophobicContact CZ2-CZ 3.66Å; P217-F219 PolarHBondContact O-N 3.34Å; F219-L227 HydrophobicContact CB-CD1 3.52Å; F219-L227 VanDerWaalsContact O-CD1 3.26Å; F219-L227 WeakPolarHBondContact O-CD1 3.4Å; F219-K230 HydrophobicContact CD1-CB 4.24Å; F219-I231 HydrophobicContact CB-CG1 4.04Å; F219-I231 HydrophobicContact CD1-CG1 4.16Å; F219-I231 HydrophobicContact CD2-CD1 4.46Å; F219-I231 HydrophobicContact CD2-CG1 3.68Å; F219-I231 HydrophobicContact CE2-CG1 4.16Å; F219-I231 HydrophobicContact CG-CG1 3.69Å; F219-Y236 AromaticContact CE1-CD1 3.98Å; F219-Y236 HydrophobicContact CE1-CD1 3.98Å; F219-Y236 HydrophobicContact CE1-CG 4.37Å; F219-Y236 AromaticContact CZ-CD1 3.75Å; F219-Y236 HydrophobicContact CZ-CD1 3.75Å; F219-Y236 HydrophobicContact CZ-CG 4.35Å
220Y73.8Confident85.3Confident120 Ų12051.2 Ų51.247%0.47125%0.249SC..  trans-132.3119.2174.7-176.8-88.6000110P217 R305P217-Y220 HydrophobicContact CG-CD2 4.44Å; Y220-R305 PolarHBondContact OH-NH2 2.84Å
221E78.2Confident84.7Confident54 Ų5451.2 Ų51.225%0.25225%0.25SC..  trans-137.6158.6179.5-79.6-71.8174.200109.7T223 K226 L227 K230E221-T223 VanDerWaalsContact C-N 3.31Å; E221-K226 HydrophobicContact CB-CB 3.92Å; E221-K226 HydrophobicContact CG-CB 3.78Å; E221-K226 VanDerWaalsContact OE2-CD 3.31Å; E221-K226 WeakPolarHBondContact OE2-CD 3.27Å; E221-L227 HydrophobicContact CB-CB 4.17Å; E221-K230 HydrophobicContact CG-CG 4.22Å
222E73.1Confident84.1Confident169 Ų16956.2 Ų56.279%0.7927%0.271SS*.SBendtrans-72.4-25177.9-65.2-173.7152.800113.1
223T77.9Confident83.5Confident69 Ų6960.9 Ų60.942%0.42329%0.293SS..SBendtrans-127.3142.3-178.667.60000111.4E221 S225 K226 L227E221-T223 VanDerWaalsContact C-N 3.31Å; T223-S225 PolarHBondContact O-N 3.27Å; T223-K226 PolarHBondContact O-N 3.16Å; T223-K226 WeakPolarHBondContact OG1-CG 3.38Å; T223-L227 PolarHBondContact O-N 3.08Å
224E75.4Confident82.6Confident122 Ų12261.5 Ų61.557%0.5730%0.3SS*.Hα-helixtrans-59.6-35.5178.9-63.4-175.5159.200112.2K226 L227 F228E224-K226 PolarHBondContact O-N 1.79Å; E224-L227 WeakPolarHBondContact O-CB 3.45Å; E224-L227 PolarHBondContact O-N 3.43Å; E224-F228 HydrophobicContact CB-CD2 4.44Å; E224-F228 HydrophobicContact CB-CE2 3.87Å; E224-F228 HydrophobicContact CB-CZ 4.18Å; E224-F228 WeakPolarHBondContact O-CD2 3.47Å; E224-F228 WeakPolarHBondContact O-CG 3.5Å; E224-F228 PolarHBondContact O-N 3.23Å
225S77.8Confident81.8Confident83 Ų8366.7 Ų66.758%0.5832%0.32SS*.Hα-helixtrans-58.1-46.6177-49.10000112.4T223 F228 E229T223-S225 PolarHBondContact O-N 3.27Å; S225-F228 PolarHBondContact O-N 3.35Å; S225-E229 WeakPolarHBondContact O-CG 3.49Å; S225-E229 PolarHBondContact O-N 3.48Å
226K81.6Confident81.6Confident96 Ų9668.4 Ų68.442%0.41733%0.327SS..Hα-helixtrans-69.1-38.7176.8-72.7-177.9175-174.90112E221 T223 E224 F228 E229 K230E221-K226 HydrophobicContact CB-CB 3.92Å; E221-K226 HydrophobicContact CG-CB 3.78Å; E221-K226 VanDerWaalsContact OE2-CD 3.31Å; E221-K226 WeakPolarHBondContact OE2-CD 3.27Å; T223-K226 PolarHBondContact O-N 3.16Å; T223-K226 WeakPolarHBondContact OG1-CG 3.38Å; E224-K226 PolarHBondContact O-N 1.79Å; K226-F228 VanDerWaalsContact C-N 3.27Å; K226-F228 PolarHBondContact O-N 3.36Å; K226-E229 PolarHBondContact O-N 3.38Å; K226-E229 VanDerWaalsContact O-N 3.16Å; K226-K230 PolarHBondContact O-N 2.72Å
227L81.7Confident81.6Confident21 Ų2172.7 Ų72.711%0.1135%0.348CS..Hα-helixtrans-56.2-44.7174.1-178.264.9000110.7F219 E221 T223 E224 K230 I231F219-L227 HydrophobicContact CB-CD1 3.52Å; F219-L227 VanDerWaalsContact O-CD1 3.26Å; F219-L227 WeakPolarHBondContact O-CD1 3.4Å; E221-L227 HydrophobicContact CB-CB 4.17Å; T223-L227 PolarHBondContact O-N 3.08Å; E224-L227 WeakPolarHBondContact O-CB 3.45Å; E224-L227 PolarHBondContact O-N 3.43Å; L227-K230 PolarHBondContact O-N 2.89Å; L227-I231 HydrophobicContact CD1-CD1 4.24Å; L227-I231 HydrophobicContact CG-CD1 3.98Å; L227-I231 WeakPolarHBondContact O-CD1 3.5Å; L227-I231 VanDerWaalsContact O-CG1 3.24Å; L227-I231 WeakPolarHBondContact O-CG1 3.33Å; L227-I231 PolarHBondContact O-N 3Å
228F79.9Confident81.9Confident60 Ų6072.6 Ų72.626%0.26334%0.344SS..Hα-helixtrans-69.8-31.8177.2-60-36.6000113.5L191 E224 S225 K226 K232L191-F228 HydrophobicContact CD1-CB 4.14Å; L191-F228 HydrophobicContact CD1-CD1 3.56Å; L191-F228 HydrophobicContact CD1-CE1 4.37Å; L191-F228 HydrophobicContact CD1-CG 4.19Å; L191-F228 HydrophobicContact CD2-CD1 3.59Å; L191-F228 HydrophobicContact CD2-CE1 3.64Å; L191-F228 HydrophobicContact CD2-CG 4.35Å; L191-F228 HydrophobicContact CD2-CZ 4.45Å; L191-F228 HydrophobicContact CG-CD1 4.2Å; E224-F228 HydrophobicContact CB-CD2 4.44Å; E224-F228 HydrophobicContact CB-CE2 3.87Å; E224-F228 HydrophobicContact CB-CZ 4.18Å; E224-F228 WeakPolarHBondContact O-CD2 3.47Å; E224-F228 WeakPolarHBondContact O-CG 3.5Å; E224-F228 PolarHBondContact O-N 3.23Å; S225-F228 PolarHBondContact O-N 3.35Å; K226-F228 VanDerWaalsContact C-N 3.27Å; K226-F228 PolarHBondContact O-N 3.36Å; F228-K232 WeakPolarHBondContact O-CB 3.49Å; F228-K232 WeakPolarHBondContact O-CD 3.31Å; F228-K232 VanDerWaalsContact O-CG 3.22Å; F228-K232 WeakPolarHBondContact O-CG 3.21Å; F228-K232 PolarHBondContact O-N 3.01Å; F228-K232 VanDerWaalsContact O-N 3.1Å
229E83.9Confident82.1Confident121 Ų12175.3 Ų75.357%0.56536%0.355SS*.Hα-helixtrans-64.4-52.8171.3-73.8170.3170.600110.5S225 K226 I231 K232 E233S225-E229 WeakPolarHBondContact O-CG 3.49Å; S225-E229 PolarHBondContact O-N 3.48Å; K226-E229 PolarHBondContact O-N 3.38Å; K226-E229 VanDerWaalsContact O-N 3.16Å; E229-I231 PolarHBondContact O-N 3.31Å; E229-K232 PolarHBondContact O-N 3.01Å; E229-E233 WeakPolarHBondContact O-CG 3.44Å; E229-E233 PolarHBondContact O-N 3.36Å
230K82.8Confident82.5Confident71 Ų7178.9 Ų78.931%0.30938%0.381SS..Hα-helixtrans-53.6-47175.6-80.7-73.4-167.7167.90113.3F219 E221 K226 L227 K232 E233 G234F219-K230 HydrophobicContact CD1-CB 4.24Å; E221-K230 HydrophobicContact CG-CG 4.22Å; K226-K230 PolarHBondContact O-N 2.72Å; L227-K230 PolarHBondContact O-N 2.89Å; K230-K232 VanDerWaalsContact C-N 3.34Å; K230-K232 PolarHBondContact O-N 2.96Å; K230-E233 PolarHBondContact O-N 2.93Å; K230-G234 PolarHBondContact O-N 2.79Å; K230-G234 VanDerWaalsContact O-N 3.09Å
231I83.6Confident83.5Confident1 Ų177.1 Ų77.11%0.00539%0.385CS..Hα-helixtrans-61.7-41.5176.9-69.4165.2000111.1P188 L191 W203 F219 L227 E229 G234P188-I231 HydrophobicContact CB-CG2 4.17Å; L191-I231 HydrophobicContact CD1-CB 3.91Å; L191-I231 HydrophobicContact CD1-CD1 4.15Å; L191-I231 HydrophobicContact CD1-CG2 3.55Å; W203-I231 HydrophobicContact CZ2-CG2 3.97Å; F219-I231 HydrophobicContact CB-CG1 4.04Å; F219-I231 HydrophobicContact CD1-CG1 4.16Å; F219-I231 HydrophobicContact CD2-CD1 4.46Å; F219-I231 HydrophobicContact CD2-CG1 3.68Å; F219-I231 HydrophobicContact CE2-CG1 4.16Å; F219-I231 HydrophobicContact CG-CG1 3.69Å; L227-I231 HydrophobicContact CD1-CD1 4.24Å; L227-I231 HydrophobicContact CG-CD1 3.98Å; L227-I231 WeakPolarHBondContact O-CD1 3.5Å; L227-I231 VanDerWaalsContact O-CG1 3.24Å; L227-I231 WeakPolarHBondContact O-CG1 3.33Å; L227-I231 PolarHBondContact O-N 3Å; E229-I231 PolarHBondContact O-N 3.31Å; I231-G234 PolarHBondContact O-N 2.93Å
232K81.3Confident84.3Confident106 Ų10677.4 Ų77.446%0.46139%0.385SS..Hα-helixtrans-70.6-33.2179.3-77.7173.4-179.7177.10113.6L191 F228 E229 K230 G234L191-K232 VanDerWaalsContact O-CE 3.27Å; L191-K232 WeakPolarHBondContact O-CE 3.44Å; L191-K232 PolarHBondContact O-NZ 3.27Å; F228-K232 WeakPolarHBondContact O-CB 3.49Å; F228-K232 WeakPolarHBondContact O-CD 3.31Å; F228-K232 VanDerWaalsContact O-CG 3.22Å; F228-K232 WeakPolarHBondContact O-CG 3.21Å; F228-K232 PolarHBondContact O-N 3.01Å; F228-K232 VanDerWaalsContact O-N 3.1Å; E229-K232 PolarHBondContact O-N 3.01Å; K230-K232 VanDerWaalsContact C-N 3.34Å; K230-K232 PolarHBondContact O-N 2.96Å; K232-G234 VanDerWaalsContact C-N 3.27Å
233E84.3Confident85.5Confident98 Ų9869.4 Ų69.446%0.45835%0.348SS..Hα-helixtrans-67.9-31.5172.2-70.6-178.2158.500111.8E229 K230 Y235E229-E233 WeakPolarHBondContact O-CG 3.44Å; E229-E233 PolarHBondContact O-N 3.36Å; K230-E233 PolarHBondContact O-N 2.93Å; E233-Y235 VanDerWaalsContact C-N 3.31Å; E233-Y235 HydrophobicContact CB-CD2 3.51Å; E233-Y235 HydrophobicContact CB-CE2 3.84Å; E233-Y235 HydrophobicContact CB-CG 4.08Å; E233-Y235 HydrophobicContact CG-CD2 4.21Å; E233-Y235 HydrophobicContact CG-CE2 4.3Å; E233-Y235 WeakPolarHBondContact OE2-CD2 3.49Å
234G78.9Confident86.4Confident15 Ų1570.6 Ų70.616%0.15535%0.352CS..THydrogen-bonded Turntrans75.521.2-175.100000112.8K230 I231 K232K230-G234 PolarHBondContact O-N 2.79Å; K230-G234 VanDerWaalsContact O-N 3.09Å; I231-G234 PolarHBondContact O-N 2.93Å; K232-G234 VanDerWaalsContact C-N 3.27Å
235Y78Confident87.3Confident108 Ų10868.1 Ų68.142%0.42434%0.342SS..  trans-98104.1179.9-59.6-38.3000110.8E233E233-Y235 VanDerWaalsContact C-N 3.31Å; E233-Y235 HydrophobicContact CB-CD2 3.51Å; E233-Y235 HydrophobicContact CB-CE2 3.84Å; E233-Y235 HydrophobicContact CB-CG 4.08Å; E233-Y235 HydrophobicContact CG-CD2 4.21Å; E233-Y235 HydrophobicContact CG-CE2 4.3Å; E233-Y235 WeakPolarHBondContact OE2-CD2 3.49Å
236Y88.3Confident88.3Confident37 Ų3764.5 Ų64.515%0.14532%0.317CS..  trans-120.6161.1163.156.3-83.5000108Y210 P218 F219 F238 I254 C255 L258Y210-Y236 HydrophobicContact CD2-CD2 4.5Å; Y210-Y236 HydrophobicContact CE2-CD2 4.25Å; P218-Y236 HydrophobicContact CB-CG 4.26Å; F219-Y236 AromaticContact CE1-CD1 3.98Å; F219-Y236 HydrophobicContact CE1-CD1 3.98Å; F219-Y236 HydrophobicContact CE1-CG 4.37Å; F219-Y236 AromaticContact CZ-CD1 3.75Å; F219-Y236 HydrophobicContact CZ-CD1 3.75Å; F219-Y236 HydrophobicContact CZ-CG 4.35Å; Y236-F238 HydrophobicContact CD2-CZ 4.41Å; Y236-F238 HydrophobicContact CE2-CE1 4.3Å; Y236-F238 HydrophobicContact CE2-CE2 4.16Å; Y236-F238 AromaticContact CE2-CZ 3.78Å; Y236-F238 HydrophobicContact CE2-CZ 3.78Å; Y236-I254 HydrophobicContact CE2-CG2 4.4Å; Y236-C255 VanDerWaalsContact OH-CA 3.27Å; Y236-C255 WeakPolarHBondContact OH-CA 3.47Å; Y236-C255 PolarHBondContact OH-SG 2.87Å; Y236-L258 HydrophobicContact CD1-CB 4.31Å; Y236-L258 HydrophobicContact CD1-CD1 4.03Å; Y236-L258 HydrophobicContact CD2-CD1 4.31Å; Y236-L258 HydrophobicContact CE1-CB 3.53Å; Y236-L258 HydrophobicContact CE1-CD1 3.93Å; Y236-L258 HydrophobicContact CE1-CG 4.4Å; Y236-L258 HydrophobicContact CE2-CD1 4.21Å; Y236-L258 HydrophobicContact CG-CD1 4.25Å
237E90.6Very high89.1Confident116 Ų11660.7 Ų60.754%0.54230%0.302SS..  trans-124.5164.3-177.8-67.5178.2-149.500110.5Y210 E239Y210-E237 WeakPolarHBondContact CE2-O 3.11Å; Y210-E237 PolarHBondContact OH-O 2.76Å; E237-E239 HydrophobicContact CB-CG 4.06Å
238F95.6Very high89.9Confident37 Ų3765.4 Ų65.416%0.16232%0.323CS..  trans-112.578.9173.6-63-62.7000107.4Y210 Y236 W243 K251 I254Y210-F238 HydrophobicContact CD2-CD1 4.28Å; Y210-F238 AromaticContact CD2-CE1 3.92Å; Y210-F238 HydrophobicContact CD2-CE1 3.92Å; Y210-F238 AromaticContact CE2-CD1 3.77Å; Y210-F238 HydrophobicContact CE2-CD1 3.77Å; Y210-F238 AromaticContact CE2-CE1 3.85Å; Y210-F238 HydrophobicContact CE2-CE1 3.85Å; Y236-F238 HydrophobicContact CD2-CZ 4.41Å; Y236-F238 HydrophobicContact CE2-CE1 4.3Å; Y236-F238 HydrophobicContact CE2-CE2 4.16Å; Y236-F238 AromaticContact CE2-CZ 3.78Å; Y236-F238 HydrophobicContact CE2-CZ 3.78Å; F238-W243 VanDerWaalsContact C-CD1 3.45Å; F238-W243 HydrophobicContact CB-CB 3.8Å; F238-W243 HydrophobicContact CB-CD2 3.95Å; F238-W243 HydrophobicContact CB-CE3 4.31Å; F238-W243 HydrophobicContact CB-CG 3.69Å; F238-W243 AromaticContact CD1-CD2 3.52Å; F238-W243 HydrophobicContact CD1-CD2 3.52Å; F238-W243 AromaticContact CD1-CE2 3.72Å; F238-W243 AromaticContact CD1-CE3 3.46Å; F238-W243 HydrophobicContact CD1-CE3 3.46Å; F238-W243 VanDerWaalsContact CD1-CE3 3.46Å; F238-W243 HydrophobicContact CD1-CG 4.2Å; F238-W243 AromaticContact CD1-CH2 3.87Å; F238-W243 HydrophobicContact CD1-CH2 3.87Å; F238-W243 AromaticContact CD1-CZ2 3.91Å; F238-W243 HydrophobicContact CD1-CZ2 3.91Å; F238-W243 AromaticContact CD1-CZ3 3.63Å; F238-W243 HydrophobicContact CD1-CZ3 3.63Å; F238-W243 HydrophobicContact CE1-CD2 4.46Å; F238-W243 HydrophobicContact CE1-CE3 4.07Å; F238-W243 AromaticContact CE1-CH2 3.89Å; F238-W243 HydrophobicContact CE1-CH2 3.89Å; F238-W243 HydrophobicContact CE1-CZ2 4.27Å; F238-W243 AromaticContact CE1-CZ3 3.76Å; F238-W243 HydrophobicContact CE1-CZ3 3.76Å; F238-W243 HydrophobicContact CG-CD2 4.17Å; F238-W243 HydrophobicContact CG-CE3 4.19Å; F238-W243 HydrophobicContact CG-CG 4.44Å; F238-K251 HydrophobicContact CB-CD 4.37Å; F238-K251 HydrophobicContact CD1-CG 4.08Å; F238-K251 HydrophobicContact CD2-CB 4.08Å; F238-K251 HydrophobicContact CD2-CD 4.07Å; F238-K251 HydrophobicContact CD2-CG 3.96Å; F238-K251 HydrophobicContact CE1-CB 4.28Å; F238-K251 HydrophobicContact CE1-CG 4.09Å; F238-K251 HydrophobicContact CE2-CB 3.65Å; F238-K251 HydrophobicContact CE2-CG 3.99Å; F238-K251 HydrophobicContact CG-CD 4.15Å; F238-K251 HydrophobicContact CG-CG 4Å; F238-K251 HydrophobicContact CZ-CB 3.74Å; F238-K251 HydrophobicContact CZ-CG 4.04Å; F238-I254 HydrophobicContact CE1-CB 4.47Å; F238-I254 HydrophobicContact CE1-CD1 4.29Å; F238-I254 HydrophobicContact CE1-CG2 4.21Å; F238-I254 HydrophobicContact CZ-CB 4.32Å; F238-I254 HydrophobicContact CZ-CG2 4.18Å
239E93Very high90.8Very high68 Ų6863.7 Ų63.732%0.31832%0.319SS..  trans-74.8137.8-165-52.991.1155.900114.1Y210 Y216 E237 F242 W243Y210-E239 PolarHBondContact OH-OE2 3.45Å; Y216-E239 WeakPolarHBondContact CE2-OE2 3.36Å; Y216-E239 PolarHBondContact OH-OE2 3.5Å; E237-E239 HydrophobicContact CB-CG 4.06Å; E239-F242 PolarHBondContact O-N 3.28Å; E239-W243 VanDerWaalsContact N-CD1 3.27Å; E239-W243 PolarHBondContact O-N 3.3Å; E239-W243 VanDerWaalsContact O-N 3.11Å
240S92.9Very high91.5Very high84 Ų8457.9 Ų57.959%0.58729%0.292SS*.THydrogen-bonded Turntrans-67.9142.5165.5-560000111D244S240-D244 WeakPolarHBondContact CA-OD1 3.45Å; S240-D244 WeakPolarHBondContact CB-OD1 3.25Å; S240-D244 PolarHBondContact OG-OD1 3.28Å
241P95.3Very high92.2Very high84 Ų8455.7 Ų55.755%0.54528%0.282SS..THydrogen-bonded Turncis-89.20.33.336.6-36.6000114.1W243 D244P241-W243 VanDerWaalsContact C-N 3.35Å; P241-W243 PolarHBondContact O-N 3.22Å; P241-D244 WeakPolarHBondContact CA-OD2 3.31Å
242F94.4Very high92.9Very high59 Ų5958.5 Ų58.526%0.25930%0.297SS..THydrogen-bonded Turntrans-71-30.3-166.3-46.4-61.3000113.2C214 Y216 E239 Q294C214-F242 HydrophobicContact CB-CB 4.46Å; Y216-F242 HydrophobicContact CE1-CB 3.89Å; Y216-F242 AromaticContact CE1-CD2 3.6Å; Y216-F242 HydrophobicContact CE1-CD2 3.6Å; Y216-F242 HydrophobicContact CE1-CE2 4.33Å; Y216-F242 AromaticContact CE1-CG 3.78Å; Y216-F242 HydrophobicContact CE1-CG 3.78Å; Y216-F242 AromaticContact CZ-CD2 3.86Å; Y216-F242 WeakPolarHBondContact OH-CD2 3.19Å; E239-F242 PolarHBondContact O-N 3.28Å; F242-Q294 HydrophobicContact CD1-CG 4.37Å; F242-Q294 HydrophobicContact CE1-CG 4.44Å
243W97.6Very high93.8Very high1 Ų153.5 Ų53.50%0.00428%0.275CS..THydrogen-bonded Turntrans-106.31.8-177.5-69.990000114.8Y210 L213 C214 Y216 F238 E239 P241 D245 I246 K251 I254Y210-W243 AromaticContact CD1-CZ2 3.89Å; Y210-W243 HydrophobicContact CD1-CZ2 3.89Å; Y210-W243 AromaticContact CD2-CH2 3.82Å; Y210-W243 HydrophobicContact CD2-CH2 3.82Å; Y210-W243 AromaticContact CD2-CZ2 3.45Å; Y210-W243 HydrophobicContact CD2-CZ2 3.45Å; Y210-W243 VanDerWaalsContact CD2-CZ2 3.45Å; Y210-W243 AromaticContact CE1-CZ2 3.81Å; Y210-W243 HydrophobicContact CE1-CZ2 3.81Å; Y210-W243 AromaticContact CE2-CE2 3.83Å; Y210-W243 HydrophobicContact CE2-CH2 4.1Å; Y210-W243 AromaticContact CE2-CZ2 3.37Å; Y210-W243 HydrophobicContact CE2-CZ2 3.37Å; Y210-W243 HydrophobicContact CG-CH2 4.12Å; Y210-W243 AromaticContact CG-CZ2 3.71Å; Y210-W243 HydrophobicContact CG-CZ2 3.71Å; Y210-W243 AromaticContact CZ-CE2 3.8Å; Y210-W243 AromaticContact CZ-CZ2 3.54Å; Y210-W243 AromaticContact CZ-NE1 3.62Å; Y210-W243 PolarHBondContact OH-NE1 2.84Å; L213-W243 HydrophobicContact CB-CH2 3.8Å; L213-W243 HydrophobicContact CB-CZ3 4.08Å; L213-W243 HydrophobicContact CD1-CH2 4.31Å; L213-W243 HydrophobicContact CD1-CZ3 4.13Å; C214-W243 HydrophobicContact CB-CZ2 3.7Å; Y216-W243 AromaticContact CZ-NE1 3.82Å; Y216-W243 VanDerWaalsContact OH-CD1 3.28Å; Y216-W243 PolarHBondContact OH-NE1 3.12Å; Y216-W243 VanDerWaalsContact OH-NE1 3.14Å; F238-W243 VanDerWaalsContact C-CD1 3.45Å; F238-W243 HydrophobicContact CB-CB 3.8Å; F238-W243 HydrophobicContact CB-CD2 3.95Å; F238-W243 HydrophobicContact CB-CE3 4.31Å; F238-W243 HydrophobicContact CB-CG 3.69Å; F238-W243 AromaticContact CD1-CD2 3.52Å; F238-W243 HydrophobicContact CD1-CD2 3.52Å; F238-W243 AromaticContact CD1-CE2 3.72Å; F238-W243 AromaticContact CD1-CE3 3.46Å; F238-W243 HydrophobicContact CD1-CE3 3.46Å; F238-W243 VanDerWaalsContact CD1-CE3 3.46Å; F238-W243 HydrophobicContact CD1-CG 4.2Å; F238-W243 AromaticContact CD1-CH2 3.87Å; F238-W243 HydrophobicContact CD1-CH2 3.87Å; F238-W243 AromaticContact CD1-CZ2 3.91Å; F238-W243 HydrophobicContact CD1-CZ2 3.91Å; F238-W243 AromaticContact CD1-CZ3 3.63Å; F238-W243 HydrophobicContact CD1-CZ3 3.63Å; F238-W243 HydrophobicContact CE1-CD2 4.46Å; F238-W243 HydrophobicContact CE1-CE3 4.07Å; F238-W243 AromaticContact CE1-CH2 3.89Å; F238-W243 HydrophobicContact CE1-CH2 3.89Å; F238-W243 HydrophobicContact CE1-CZ2 4.27Å; F238-W243 AromaticContact CE1-CZ3 3.76Å; F238-W243 HydrophobicContact CE1-CZ3 3.76Å; F238-W243 HydrophobicContact CG-CD2 4.17Å; F238-W243 HydrophobicContact CG-CE3 4.19Å; F238-W243 HydrophobicContact CG-CG 4.44Å; E239-W243 VanDerWaalsContact N-CD1 3.27Å; E239-W243 PolarHBondContact O-N 3.3Å; E239-W243 VanDerWaalsContact O-N 3.11Å; P241-W243 VanDerWaalsContact C-N 3.35Å; P241-W243 PolarHBondContact O-N 3.22Å; W243-D245 PolarHBondContact O-N 3.46Å; W243-I246 HydrophobicContact CE3-CB 3.83Å; W243-I246 HydrophobicContact CE3-CG1 4Å; W243-I246 HydrophobicContact CE3-CG2 3.65Å; W243-I246 HydrophobicContact CZ3-CB 4.38Å; W243-I246 HydrophobicContact CZ3-CG2 3.72Å; W243-I246 PolarHBondContact O-N 3.08Å; W243-K251 HydrophobicContact CE3-CG 4.08Å; W243-K251 HydrophobicContact CZ3-CG 4.3Å; W243-K251 WeakPolarHBondContact O-CE 3.18Å; W243-K251 PolarHBondContact O-NZ 2.79Å; W243-I254 HydrophobicContact CH2-CD1 3.57Å; W243-I254 HydrophobicContact CZ3-CD1 3.89Å
244D96.6Very high94.5Very high94 Ų9448.8 Ų48.850%0.50325%0.254SS..THydrogen-bonded Turntrans-63.5-33.5-178-68.7-3.9000111.7S240 P241S240-D244 WeakPolarHBondContact CA-OD1 3.45Å; S240-D244 WeakPolarHBondContact CB-OD1 3.25Å; S240-D244 PolarHBondContact OG-OD1 3.28Å; P241-D244 WeakPolarHBondContact CA-OD2 3.31Å
245D95.8Very high95.3Very high71 Ų7149.1 Ų49.138%0.3825%0.253SS..THydrogen-bonded Turntrans-98-0.1-176.7-68.8-35.5000113.9W243 R285W243-D245 PolarHBondContact O-N 3.46Å; D245-R285 IonicContact OD1-CZ 3.99Å; D245-R285 IonicContact OD1-NH1 3Å; D245-R285 PolarHBondContact OD1-NH1 3.11Å; D245-R285 IonicContact OD1-NH2 3.64Å; D245-R285 PolarHBondContact OD1-NH2 3.35Å; D245-R285 IonicContact OD2-CZ 1.79Å; D245-R285 IonicContact OD2-NE 2.7Å; D245-R285 IonicContact OD2-NH1 3.11Å; D245-R285 IonicContact OD2-NH2 3.28Å; D245-R285 PolarHBondContact OD2-NH2 2.95Å
246I98.3Very high96.3Very high7 Ų745.3 Ų45.34%0.03624%0.239CC..SBendtrans-93.6137.2-179.4-57.9-63.7000110.4E117 L213 W243 A250 K251 I287E117-I246 HydrophobicContact CG-CD1 4.27Å; E117-I246 WeakPolarHBondContact OE1-CA 3.47Å; L213-I246 HydrophobicContact CB-CD1 4.35Å; L213-I246 HydrophobicContact CD1-CG2 4.09Å; W243-I246 HydrophobicContact CE3-CB 3.83Å; W243-I246 HydrophobicContact CE3-CG1 4Å; W243-I246 HydrophobicContact CE3-CG2 3.65Å; W243-I246 HydrophobicContact CZ3-CB 4.38Å; W243-I246 HydrophobicContact CZ3-CG2 3.72Å; W243-I246 PolarHBondContact O-N 3.08Å; I246-A250 HydrophobicContact CG2-CB 3.8Å; I246-K251 WeakPolarHBondContact O-CE 3.37Å; I246-K251 PolarHBondContact O-NZ 2.91Å; I246-K251 VanDerWaalsContact O-NZ 3.12Å; I246-I287 HydrophobicContact CD1-CD1 3.84Å; I246-I287 HydrophobicContact CD1-CG2 3.99Å
247S98.4Very high96.7Very high16 Ų1643.5 Ų43.511%0.11223%0.232CC..  trans-63143.9-176.673.30000113.7E117 S249 A250 K251E117-S247 WeakPolarHBondContact OE1-CB 3.38Å; E117-S247 PolarHBondContact OE1-N 3.18Å; E117-S247 PolarHBondContact OE1-OG 2.87Å; E117-S247 WeakPolarHBondContact OE2-CB 3.27Å; E117-S247 PolarHBondContact OE2-OG 2.93Å; S247-S249 PolarHBondContact O-N 3.49Å; S247-A250 WeakPolarHBondContact O-CB 3.41Å; S247-A250 PolarHBondContact O-N 3.49Å; S247-A250 WeakPolarHBondContact OG-CB 3.38Å; S247-A250 PolarHBondContact OG-N 2.81Å; S247-K251 PolarHBondContact O-N 3.31Å; S247-K251 VanDerWaalsContact O-N 3.16Å
248E98.3Very high97Very high119 Ų11938.1 Ų38.156%0.55621%0.207SC*.Hα-helixtrans-59.6-25169.9-61-54.7117.900112K251 D252E248-K251 WeakPolarHBondContact OE1-CD 3.27Å; E248-K251 IonicContact OE1-NZ 2.86Å; E248-K251 PolarHBondContact OE1-NZ 3.1Å; E248-D252 VanDerWaalsContact O-CB 3.27Å; E248-D252 WeakPolarHBondContact O-CB 3.28Å; E248-D252 PolarHBondContact O-N 3.32Å
249S98.7Very high96.9Very high24 Ų2438.4 Ų38.417%0.16821%0.209CC..Hα-helixtrans-71.1-34.6174.7-167.60000112.8S247 F253 H274 T281S247-S249 PolarHBondContact O-N 3.49Å; S249-F253 WeakPolarHBondContact O-CB 3.39Å; S249-F253 PolarHBondContact O-N 3.24Å; S249-F253 VanDerWaalsContact O-N 3.08Å; S249-H274 PolarHBondContact O-CE1 3.19Å; S249-H274 PolarHBondContact OG-CE1 2.82Å; S249-T281 WeakPolarHBondContact CB-OG1 3.22Å; S249-T281 WeakPolarHBondContact OG-CB 3.43Å; S249-T281 PolarHBondContact OG-OG1 3.31Å
250A98.6Very high96.8Very high0 Ų039.4 Ų39.40%021%0.212CC..Hα-helixtrans-69.5-42173.600000111.1L213 I246 S247 F253 I254 W276L213-A250 HydrophobicContact CD1-CB 3.65Å; I246-A250 HydrophobicContact CG2-CB 3.8Å; S247-A250 WeakPolarHBondContact O-CB 3.41Å; S247-A250 PolarHBondContact O-N 3.49Å; S247-A250 WeakPolarHBondContact OG-CB 3.38Å; S247-A250 PolarHBondContact OG-N 2.81Å; A250-F253 PolarHBondContact O-N 3.03Å; A250-I254 WeakPolarHBondContact O-CG1 3.47Å; A250-I254 PolarHBondContact O-N 2.99Å; A250-W276 HydrophobicContact CB-CD2 4.35Å; A250-W276 HydrophobicContact CB-CG 4.4Å; A250-W276 HydrophobicContact CB-CZ2 4.29Å
251K98.5Very high96.7Very high24 Ų2438.6 Ų38.610%0.10420%0.201CC..Hα-helixtrans-61-49.5175.8-64.2172.5-163.5166.90111F238 W243 I246 S247 E248 F253 I254 C255F238-K251 HydrophobicContact CB-CD 4.37Å; F238-K251 HydrophobicContact CD1-CG 4.08Å; F238-K251 HydrophobicContact CD2-CB 4.08Å; F238-K251 HydrophobicContact CD2-CD 4.07Å; F238-K251 HydrophobicContact CD2-CG 3.96Å; F238-K251 HydrophobicContact CE1-CB 4.28Å; F238-K251 HydrophobicContact CE1-CG 4.09Å; F238-K251 HydrophobicContact CE2-CB 3.65Å; F238-K251 HydrophobicContact CE2-CG 3.99Å; F238-K251 HydrophobicContact CG-CD 4.15Å; F238-K251 HydrophobicContact CG-CG 4Å; F238-K251 HydrophobicContact CZ-CB 3.74Å; F238-K251 HydrophobicContact CZ-CG 4.04Å; W243-K251 HydrophobicContact CE3-CG 4.08Å; W243-K251 HydrophobicContact CZ3-CG 4.3Å; W243-K251 WeakPolarHBondContact O-CE 3.18Å; W243-K251 PolarHBondContact O-NZ 2.79Å; I246-K251 WeakPolarHBondContact O-CE 3.37Å; I246-K251 PolarHBondContact O-NZ 2.91Å; I246-K251 VanDerWaalsContact O-NZ 3.12Å; S247-K251 PolarHBondContact O-N 3.31Å; S247-K251 VanDerWaalsContact O-N 3.16Å; E248-K251 WeakPolarHBondContact OE1-CD 3.27Å; E248-K251 IonicContact OE1-NZ 2.86Å; E248-K251 PolarHBondContact OE1-NZ 3.1Å; K251-F253 PolarHBondContact O-N 3.1Å; K251-I254 PolarHBondContact O-N 2.87Å; K251-C255 PolarHBondContact O-N 2.96Å; K251-C255 PolarHBondContact O-SG 2.7Å
252D98.4Very high96.5Very high61 Ų6136.7 Ų36.733%0.32619%0.189SC..Hα-helixtrans-59.3-42.2175.9-179.683.2000112.8E248 C255 H256 H274E248-D252 VanDerWaalsContact O-CB 3.27Å; E248-D252 WeakPolarHBondContact O-CB 3.28Å; E248-D252 PolarHBondContact O-N 3.32Å; D252-C255 PolarHBondContact O-N 2.76Å; D252-H256 PolarHBondContact O-N 3.49Å; D252-H256 VanDerWaalsContact O-N 3.12Å; D252-H256 PolarHBondContact O-ND1 3.31Å; D252-H256 IonicContact OD1-CE1 3.04Å; D252-H256 PolarHBondContact OD1-CE1 3.32Å; D252-H256 VanDerWaalsContact OD1-CE1 3.28Å; D252-H256 IonicContact OD1-ND1 2.78Å; D252-H256 IonicContact OD2-CE1 3.66Å; D252-H256 PolarHBondContact OD2-CE1 3.27Å; D252-H256 VanDerWaalsContact OD2-CE1 3.3Å; D252-H256 IonicContact OD2-ND1 2.59Å; D252-H256 PolarHBondContact OD2-ND1 2.8Å; D252-H274 IonicContact OD2-CD2 2.73Å; D252-H274 IonicContact OD2-CE1 2.72Å; D252-H274 CovalentContact OD2-NE2 1.79Å; D252-H274 IonicContact OD2-NE2 3.54Å; D252-H274 PolarHBondContact OD2-NE2 3.4Å
253F98.8Very high96.4Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-59.3-47.9174.5174.8-99.4000112.1I124 L128 T209 S249 A250 K251 C255 H256 L257 A271 H274 W276 I277I124-F253 HydrophobicContact CG2-CE1 3.9Å; I124-F253 HydrophobicContact CG2-CZ 3.76Å; L128-F253 HydrophobicContact CD1-CE2 4.37Å; L128-F253 HydrophobicContact CD1-CZ 4.05Å; T209-F253 HydrophobicContact CG2-CD1 3.97Å; T209-F253 HydrophobicContact CG2-CE1 3.84Å; S249-F253 WeakPolarHBondContact O-CB 3.39Å; S249-F253 PolarHBondContact O-N 3.24Å; S249-F253 VanDerWaalsContact O-N 3.08Å; A250-F253 PolarHBondContact O-N 3.03Å; K251-F253 PolarHBondContact O-N 3.1Å; F253-C255 VanDerWaalsContact C-N 3.33Å; F253-C255 PolarHBondContact O-N 3.07Å; F253-H256 PolarHBondContact O-N 2.66Å; F253-L257 HydrophobicContact CD1-CD1 4.28Å; F253-L257 HydrophobicContact CE1-CD1 3.54Å; F253-L257 HydrophobicContact CE2-CD1 4.24Å; F253-L257 HydrophobicContact CZ-CD1 3.52Å; F253-L257 HydrophobicContact CZ-CG 4.5Å; F253-L257 PolarHBondContact O-N 3.25Å; F253-A271 HydrophobicContact CE2-CB 3.96Å; F253-A271 HydrophobicContact CZ-CB 4.46Å; F253-H274 HydrophobicContact CD2-CB 3.78Å; F253-H274 AromaticContact CD2-CG 3.71Å; F253-H274 AromaticContact CD2-ND1 3.78Å; F253-H274 HydrophobicContact CE2-CB 4.26Å; F253-W276 HydrophobicContact CB-CB 4.2Å; F253-W276 HydrophobicContact CB-CE3 4.34Å; F253-W276 HydrophobicContact CD1-CD2 4.47Å; F253-W276 AromaticContact CD1-CE3 3.54Å; F253-W276 HydrophobicContact CD1-CE3 3.54Å; F253-W276 AromaticContact CD1-CZ3 3.81Å; F253-W276 HydrophobicContact CD1-CZ3 3.81Å; F253-W276 HydrophobicContact CD2-CE3 4.4Å; F253-W276 AromaticContact CE1-CE3 3.87Å; F253-W276 HydrophobicContact CE1-CE3 3.87Å; F253-W276 AromaticContact CE1-CZ3 3.82Å; F253-W276 HydrophobicContact CE1-CZ3 3.82Å; F253-W276 AromaticContact CG-CE3 3.83Å; F253-W276 HydrophobicContact CG-CE3 3.83Å; F253-W276 HydrophobicContact CZ-CE3 4.41Å; F253-I277 HydrophobicContact CD2-CG1 4.15Å; F253-I277 HydrophobicContact CE1-CD1 4.48Å; F253-I277 HydrophobicContact CE2-CD1 4.12Å; F253-I277 HydrophobicContact CE2-CG1 3.54Å; F253-I277 HydrophobicContact CZ-CD1 3.94Å; F253-I277 HydrophobicContact CZ-CG1 3.89Å
254I98.4Very high96.2Very high0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-61.4-43.1176.2-70.7165.6000110.5T209 Y210 L213 Y236 F238 W243 A250 K251 H256 L257 L258T209-I254 HydrophobicContact CG2-CD1 4.07Å; T209-I254 HydrophobicContact CG2-CG1 3.74Å; Y210-I254 HydrophobicContact CD2-CG2 4.25Å; L213-I254 HydrophobicContact CD1-CD1 4.03Å; Y236-I254 HydrophobicContact CE2-CG2 4.4Å; F238-I254 HydrophobicContact CE1-CB 4.47Å; F238-I254 HydrophobicContact CE1-CD1 4.29Å; F238-I254 HydrophobicContact CE1-CG2 4.21Å; F238-I254 HydrophobicContact CZ-CB 4.32Å; F238-I254 HydrophobicContact CZ-CG2 4.18Å; W243-I254 HydrophobicContact CH2-CD1 3.57Å; W243-I254 HydrophobicContact CZ3-CD1 3.89Å; A250-I254 WeakPolarHBondContact O-CG1 3.47Å; A250-I254 PolarHBondContact O-N 2.99Å; K251-I254 PolarHBondContact O-N 2.87Å; I254-H256 VanDerWaalsContact C-N 3.28Å; I254-H256 PolarHBondContact O-N 3.2Å; I254-L257 PolarHBondContact O-N 3.29Å; I254-L257 VanDerWaalsContact O-N 3.08Å; I254-L258 HydrophobicContact CG2-CD1 3.63Å; I254-L258 HydrophobicContact CG2-CG 4.05Å; I254-L258 WeakPolarHBondContact O-CB 3.42Å; I254-L258 PolarHBondContact O-N 3.4Å
255C97.3Very high96.3Very high21 Ų2142.8 Ų42.814%0.14222%0.219CC..Hα-helixtrans-59.1-39180-71.10000113.2Y236 K251 D252 F253 L257 L258 E259Y236-C255 VanDerWaalsContact OH-CA 3.27Å; Y236-C255 WeakPolarHBondContact OH-CA 3.47Å; Y236-C255 PolarHBondContact OH-SG 2.87Å; K251-C255 PolarHBondContact O-N 2.96Å; K251-C255 PolarHBondContact O-SG 2.7Å; D252-C255 PolarHBondContact O-N 2.76Å; F253-C255 VanDerWaalsContact C-N 3.33Å; F253-C255 PolarHBondContact O-N 3.07Å; C255-L257 VanDerWaalsContact C-N 3.32Å; C255-L257 PolarHBondContact O-N 3.12Å; C255-L258 CarbonylContact O-C 3.54Å; C255-L258 PolarHBondContact O-N 3.19Å; C255-E259 PolarHBondContact O-N 3.08Å; C255-E259 VanDerWaalsContact O-N 3.1Å
256H98.2Very high96.4Very high28 Ų2840.8 Ų40.813%0.1321%0.207CC..Hα-helixtrans-71.4-22.9177.5-75.9111.8000114.2D252 F253 I254 Y266 H274D252-H256 PolarHBondContact O-N 3.49Å; D252-H256 VanDerWaalsContact O-N 3.12Å; D252-H256 PolarHBondContact O-ND1 3.31Å; D252-H256 IonicContact OD1-CE1 3.04Å; D252-H256 PolarHBondContact OD1-CE1 3.32Å; D252-H256 VanDerWaalsContact OD1-CE1 3.28Å; D252-H256 IonicContact OD1-ND1 2.78Å; D252-H256 IonicContact OD2-CE1 3.66Å; D252-H256 PolarHBondContact OD2-CE1 3.27Å; D252-H256 VanDerWaalsContact OD2-CE1 3.3Å; D252-H256 IonicContact OD2-ND1 2.59Å; D252-H256 PolarHBondContact OD2-ND1 2.8Å; F253-H256 PolarHBondContact O-N 2.66Å; I254-H256 VanDerWaalsContact C-N 3.28Å; I254-H256 PolarHBondContact O-N 3.2Å; H256-Y266 HydrophobicContact CB-CD1 3.59Å; H256-Y266 HydrophobicContact CB-CD2 3.87Å; H256-Y266 HydrophobicContact CB-CE1 3.61Å; H256-Y266 HydrophobicContact CB-CE2 3.92Å; H256-Y266 HydrophobicContact CB-CG 3.72Å; H256-Y266 AromaticContact CD2-CD1 3.75Å; H256-Y266 AromaticContact CD2-CE1 3.01Å; H256-Y266 WeakPolarHBondContact CD2-CE1 3.33Å; H256-Y266 AromaticContact CD2-CZ 3.39Å; H256-Y266 PolarHBondContact CD2-OH 3.41Å; H256-Y266 PolarHBondContact CE1-OH 3.25Å; H256-Y266 AromaticContact CG-CD1 3.92Å; H256-Y266 AromaticContact CG-CE1 3.39Å; H256-Y266 AromaticContact CG-CZ 3.43Å; H256-Y266 VanDerWaalsContact CG-CZ 3.43Å; H256-Y266 AromaticContact ND1-CZ 3.89Å; H256-Y266 AromaticContact NE2-CE1 3.7Å; H256-Y266 AromaticContact NE2-CZ 3.76Å; H256-Y266 PolarHBondContact NE2-OH 2.87Å; H256-Y266 PolarHBondContact O-N 3.37Å; H256-H274 AromaticContact ND1-NE2 3.86Å
257L97.8Very high96.4Very high0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-89.4-32.5172.7-70.9176.4000113C202 I205 F253 I254 C255 E259 R265 A271C202-L257 HydrophobicContact CB-CD2 4.04Å; I205-L257 HydrophobicContact CG2-CD1 4.01Å; F253-L257 HydrophobicContact CD1-CD1 4.28Å; F253-L257 HydrophobicContact CE1-CD1 3.54Å; F253-L257 HydrophobicContact CE2-CD1 4.24Å; F253-L257 HydrophobicContact CZ-CD1 3.52Å; F253-L257 HydrophobicContact CZ-CG 4.5Å; F253-L257 PolarHBondContact O-N 3.25Å; I254-L257 PolarHBondContact O-N 3.29Å; I254-L257 VanDerWaalsContact O-N 3.08Å; C255-L257 VanDerWaalsContact C-N 3.32Å; C255-L257 PolarHBondContact O-N 3.12Å; L257-E259 VanDerWaalsContact C-N 3.28Å; L257-E259 PolarHBondContact O-N 3.3Å; L257-R265 WeakPolarHBondContact O-CD 3.32Å; L257-R265 VanDerWaalsContact O-CG 3.31Å; L257-R265 WeakPolarHBondContact O-CG 3.45Å; L257-A271 HydrophobicContact CD2-CB 4.07Å
258L95.9Very high96.3Very high3 Ų343.5 Ų43.52%0.01622%0.223CC..SBendtrans-92.123.5174.4-61.8-174.6000113W203 V207 P218 Y236 I254 C255 K260W203-L258 HydrophobicContact CD2-CD2 3.83Å; W203-L258 HydrophobicContact CE3-CB 4.49Å; W203-L258 HydrophobicContact CE3-CD2 4.09Å; W203-L258 HydrophobicContact CG-CD2 4.24Å; W203-L258 HydrophobicContact CZ2-CD2 4.26Å; W203-L258 VanDerWaalsContact CZ3-C 3.47Å; W203-L258 HydrophobicContact CZ3-CB 4.27Å; W203-L258 HydrophobicContact CZ3-CD2 4.43Å; W203-L258 VanDerWaalsContact CZ3-O 3.22Å; W203-L258 WeakPolarHBondContact CZ3-O 3.39Å; V207-L258 HydrophobicContact CG2-CD2 3.75Å; P218-L258 HydrophobicContact CB-CD1 4.43Å; P218-L258 HydrophobicContact CG-CD1 4.26Å; Y236-L258 HydrophobicContact CD1-CB 4.31Å; Y236-L258 HydrophobicContact CD1-CD1 4.03Å; Y236-L258 HydrophobicContact CD2-CD1 4.31Å; Y236-L258 HydrophobicContact CE1-CB 3.53Å; Y236-L258 HydrophobicContact CE1-CD1 3.93Å; Y236-L258 HydrophobicContact CE1-CG 4.4Å; Y236-L258 HydrophobicContact CE2-CD1 4.21Å; Y236-L258 HydrophobicContact CG-CD1 4.25Å; I254-L258 HydrophobicContact CG2-CD1 3.63Å; I254-L258 HydrophobicContact CG2-CG 4.05Å; I254-L258 WeakPolarHBondContact O-CB 3.42Å; I254-L258 PolarHBondContact O-N 3.4Å; C255-L258 CarbonylContact O-C 3.54Å; C255-L258 PolarHBondContact O-N 3.19Å; L258-K260 PolarHBondContact O-N 2.73Å
259E94.6Very high96.3Very high43 Ų4343.4 Ų43.420%0.20122%0.222CC..  trans-67.8129.9169.5176.947.8-105.900109.5C255 L257 D261 E264 R265C255-E259 PolarHBondContact O-N 3.08Å; C255-E259 VanDerWaalsContact O-N 3.1Å; L257-E259 VanDerWaalsContact C-N 3.28Å; L257-E259 PolarHBondContact O-N 3.3Å; E259-D261 PolarHBondContact OE1-N 3.12Å; E259-E264 HydrophobicContact CG-CB 3.85Å; E259-R265 HydrophobicContact CB-CB 4.09Å; E259-R265 HydrophobicContact CB-CG 4.38Å; E259-R265 HydrophobicContact CG-CB 4.5Å; E259-R265 VanDerWaalsContact O-CZ 3.31Å; E259-R265 PolarHBondContact O-NE 2.86Å; E259-R265 PolarHBondContact O-NH2 2.87Å
260K90.8Very high96.3Very high88 Ų8846.9 Ų46.938%0.38323%0.234SC..SBendtrans-73.8-28.6-174.867.7-170.8170.6-1610112.2P188 L258 P262P188-K260 HydrophobicContact CG-CB 4.49Å; L258-K260 PolarHBondContact O-N 2.73Å; K260-P262 WeakPolarHBondContact O-CD 3.25Å
261D90.4Very high96.3Very high68 Ų6846.9 Ų46.936%0.36423%0.234SC..SBendtrans-82.3111.5172.1-164-37.2000109.9E259 N263 E264 R265E259-D261 PolarHBondContact OE1-N 3.12Å; D261-N263 PolarHBondContact O-N 3.12Å; D261-N263 WeakPolarHBondContact OD1-CB 3.43Å; D261-N263 PolarHBondContact OD1-N 3.12Å; D261-N263 PolarHBondContact OD1-ND2 3.16Å; D261-E264 HydrophobicContact CB-CB 4.34Å; D261-E264 HydrophobicContact CB-CG 4.31Å; D261-E264 PolarHBondContact O-N 3.23Å; D261-E264 VanDerWaalsContact O-N 3.1Å; D261-R265 WeakPolarHBondContact O-CB 3.29Å; D261-R265 PolarHBondContact O-N 3.25Å
262P91.1Very high96.3Very high44 Ų4447.5 Ų47.529%0.28624%0.239SC..THydrogen-bonded Turntrans-64.5-10.4-178.928.6-36000113.8A199 K260A199-P262 HydrophobicContact CB-CB 3.75Å; K260-P262 WeakPolarHBondContact O-CD 3.25Å
263N91.4Very high96.3Very high137 Ų13748.4 Ų48.473%0.73325%0.25SC*.THydrogen-bonded Turntrans-86.4-29.1175.5-53.1-81000112.7D261D261-N263 PolarHBondContact O-N 3.12Å; D261-N263 WeakPolarHBondContact OD1-CB 3.43Å; D261-N263 PolarHBondContact OD1-N 3.12Å; D261-N263 PolarHBondContact OD1-ND2 3.16Å
264E94.9Very high96.3Very high134 Ų13449 Ų4963%0.62625%0.253SS*.THydrogen-bonded Turntrans-91.6-25.4176.9-63.6-63.6142.800111.7E259 D261E259-E264 HydrophobicContact CG-CB 3.85Å; D261-E264 HydrophobicContact CB-CB 4.34Å; D261-E264 HydrophobicContact CB-CG 4.31Å; D261-E264 PolarHBondContact O-N 3.23Å; D261-E264 VanDerWaalsContact O-N 3.1Å
265R96.8Very high96.3Very high10 Ų1052.2 Ų52.24%0.03827%0.273CS..SBendtrans-53138.4174.4-167.2-176.3-59.1148.37.8111.7E189 A199 L257 E259 D261 T267E189-R265 IonicContact OE1-CZ 2.8Å; E189-R265 IonicContact OE1-NH1 3.82Å; E189-R265 PolarHBondContact OE1-NH1 3.43Å; E189-R265 IonicContact OE1-NH2 3.7Å; E189-R265 IonicContact OE2-CZ 3.61Å; E189-R265 IonicContact OE2-NH1 3.74Å; E189-R265 IonicContact OE2-NH2 3.81Å; E189-R265 PolarHBondContact OE2-NH2 3.48Å; A199-R265 WeakPolarHBondContact O-CD 3.44Å; A199-R265 PolarHBondContact O-NH1 2.83Å; L257-R265 WeakPolarHBondContact O-CD 3.32Å; L257-R265 VanDerWaalsContact O-CG 3.31Å; L257-R265 WeakPolarHBondContact O-CG 3.45Å; E259-R265 HydrophobicContact CB-CB 4.09Å; E259-R265 HydrophobicContact CB-CG 4.38Å; E259-R265 HydrophobicContact CG-CB 4.5Å; E259-R265 VanDerWaalsContact O-CZ 3.31Å; E259-R265 PolarHBondContact O-NE 2.86Å; E259-R265 PolarHBondContact O-NH2 2.87Å; D261-R265 WeakPolarHBondContact O-CB 3.29Å; D261-R265 PolarHBondContact O-N 3.25Å; R265-T267 PolarHBondContact O-N 2.79Å
266Y98.3Very high96.4Very high30 Ų3051.2 Ų51.212%0.11827%0.266CS..PPolyproline II helixtrans-63.8133.8179-85.228.4000111.9C202 H256 K270 A271C202-Y266 WeakPolarHBondContact CB-O 3.42Å; C202-Y266 PolarHBondContact SG-O 3.47Å; H256-Y266 HydrophobicContact CB-CD1 3.59Å; H256-Y266 HydrophobicContact CB-CD2 3.87Å; H256-Y266 HydrophobicContact CB-CE1 3.61Å; H256-Y266 HydrophobicContact CB-CE2 3.92Å; H256-Y266 HydrophobicContact CB-CG 3.72Å; H256-Y266 AromaticContact CD2-CD1 3.75Å; H256-Y266 AromaticContact CD2-CE1 3.01Å; H256-Y266 WeakPolarHBondContact CD2-CE1 3.33Å; H256-Y266 AromaticContact CD2-CZ 3.39Å; H256-Y266 PolarHBondContact CD2-OH 3.41Å; H256-Y266 PolarHBondContact CE1-OH 3.25Å; H256-Y266 AromaticContact CG-CD1 3.92Å; H256-Y266 AromaticContact CG-CE1 3.39Å; H256-Y266 AromaticContact CG-CZ 3.43Å; H256-Y266 VanDerWaalsContact CG-CZ 3.43Å; H256-Y266 AromaticContact ND1-CZ 3.89Å; H256-Y266 AromaticContact NE2-CE1 3.7Å; H256-Y266 AromaticContact NE2-CZ 3.76Å; H256-Y266 PolarHBondContact NE2-OH 2.87Å; H256-Y266 PolarHBondContact O-N 3.37Å; Y266-K270 HydrophobicContact CD1-CD 3.54Å; Y266-K270 HydrophobicContact CD1-CG 4.1Å; Y266-K270 HydrophobicContact CD2-CB 4.08Å; Y266-K270 HydrophobicContact CD2-CD 4.18Å; Y266-K270 HydrophobicContact CD2-CG 3.78Å; Y266-K270 HydrophobicContact CE1-CD 3.66Å; Y266-K270 HydrophobicContact CE1-CG 4.19Å; Y266-K270 HydrophobicContact CE2-CD 4.26Å; Y266-K270 HydrophobicContact CE2-CG 3.86Å; Y266-K270 HydrophobicContact CG-CB 4.11Å; Y266-K270 HydrophobicContact CG-CD 3.83Å; Y266-K270 HydrophobicContact CG-CG 3.91Å; Y266-A271 HydrophobicContact CD2-CB 4.3Å
267T97.9Very high96.4Very high77 Ų7750 Ų5047%0.47226%0.261SS..PPolyproline II helixtrans-71160.9162.163.80000109.8R265 E269 K270 A271R265-T267 PolarHBondContact O-N 2.79Å; T267-E269 PolarHBondContact O-N 3.26Å; T267-K270 PolarHBondContact O-N 3.31Å; T267-K270 VanDerWaalsContact O-N 3.1Å; T267-K270 PolarHBondContact OG1-N 2.86Å; T267-A271 WeakPolarHBondContact O-CB 3.37Å; T267-A271 PolarHBondContact O-N 3.37Å
268C98Very high96.4Very high2 Ų255.9 Ų55.91%0.01429%0.292CS..Hα-helixtrans-58-33.4176.1-69.20000112.4L128 V131 K132 L272L128-C268 HydrophobicContact CD2-CB 4.08Å; V131-C268 VanDerWaalsContact CG1-SG 3.52Å; K132-C268 HydrophobicContact CB-CB 3.81Å; C268-L272 WeakPolarHBondContact O-CB 3.22Å; C268-L272 WeakPolarHBondContact O-CD1 3.27Å; C268-L272 VanDerWaalsContact O-CG 3.24Å; C268-L272 WeakPolarHBondContact O-CG 3.49Å; C268-L272 PolarHBondContact O-N 3.44Å
269E97.9Very high96.3Very high118 Ų11856.7 Ų56.755%0.55130%0.302SS*.Hα-helixtrans-63.7-47.7173.3175.8163.1-111.500113.1K132 T267 A271 L272 S273K132-E269 HydrophobicContact CD-CB 4.09Å; K132-E269 IonicContact NZ-OE1 3.57Å; K132-E269 PolarHBondContact NZ-OE1 3.49Å; T267-E269 PolarHBondContact O-N 3.26Å; E269-A271 VanDerWaalsContact C-N 3.33Å; E269-A271 PolarHBondContact O-N 3.16Å; E269-L272 PolarHBondContact O-N 3.26Å; E269-S273 PolarHBondContact O-N 3.44Å
270K98.2Very high96.4Very high97 Ų9762.4 Ų62.442%0.42233%0.333SS..Hα-helixtrans-66.5-38.4178.6-165.4177.1176.9-167.30111.3Y266 T267 S273Y266-K270 HydrophobicContact CD1-CD 3.54Å; Y266-K270 HydrophobicContact CD1-CG 4.1Å; Y266-K270 HydrophobicContact CD2-CB 4.08Å; Y266-K270 HydrophobicContact CD2-CD 4.18Å; Y266-K270 HydrophobicContact CD2-CG 3.78Å; Y266-K270 HydrophobicContact CE1-CD 3.66Å; Y266-K270 HydrophobicContact CE1-CG 4.19Å; Y266-K270 HydrophobicContact CE2-CD 4.26Å; Y266-K270 HydrophobicContact CE2-CG 3.86Å; Y266-K270 HydrophobicContact CG-CB 4.11Å; Y266-K270 HydrophobicContact CG-CD 3.83Å; Y266-K270 HydrophobicContact CG-CG 3.91Å; T267-K270 PolarHBondContact O-N 3.31Å; T267-K270 VanDerWaalsContact O-N 3.1Å; T267-K270 PolarHBondContact OG1-N 2.86Å; K270-S273 PolarHBondContact O-N 3.15Å; K270-S273 PolarHBondContact O-OG 3.43Å
271A98.6Very high96.7Very high0 Ų060.8 Ų60.80%033%0.331CS..Hα-helixtrans-64.9-38.7174.900000113.1L128 F253 L257 Y266 T267 E269 S273 H274L128-A271 HydrophobicContact CD1-CB 3.93Å; L128-A271 HydrophobicContact CD2-CB 3.71Å; F253-A271 HydrophobicContact CE2-CB 3.96Å; F253-A271 HydrophobicContact CZ-CB 4.46Å; L257-A271 HydrophobicContact CD2-CB 4.07Å; Y266-A271 HydrophobicContact CD2-CB 4.3Å; T267-A271 WeakPolarHBondContact O-CB 3.37Å; T267-A271 PolarHBondContact O-N 3.37Å; E269-A271 VanDerWaalsContact C-N 3.33Å; E269-A271 PolarHBondContact O-N 3.16Å; A271-S273 PolarHBondContact O-N 3.41Å; A271-H274 WeakPolarHBondContact O-CB 3.27Å; A271-H274 PolarHBondContact O-N 3.03Å; A271-H274 VanDerWaalsContact O-N 3.15Å
272L98.6Very high97.1Very high37 Ų3757.7 Ų57.719%0.19432%0.315CS..Hα-helixtrans-59.6-35.7173.2-78.1163.5000112Q125 L128 K132 C268 E269 H274 I277 D278Q125-L272 HydrophobicContact CG-CD2 4.14Å; L128-L272 HydrophobicContact CB-CD1 4.4Å; L128-L272 HydrophobicContact CB-CD2 3.67Å; L128-L272 HydrophobicContact CB-CG 3.81Å; L128-L272 HydrophobicContact CD1-CD2 4.18Å; L128-L272 HydrophobicContact CD1-CG 4.25Å; K132-L272 HydrophobicContact CB-CD1 4.32Å; K132-L272 HydrophobicContact CD-CD1 3.79Å; C268-L272 WeakPolarHBondContact O-CB 3.22Å; C268-L272 WeakPolarHBondContact O-CD1 3.27Å; C268-L272 VanDerWaalsContact O-CG 3.24Å; C268-L272 WeakPolarHBondContact O-CG 3.49Å; C268-L272 PolarHBondContact O-N 3.44Å; E269-L272 PolarHBondContact O-N 3.26Å; L272-H274 VanDerWaalsContact C-N 3.28Å; L272-H274 PolarHBondContact O-N 3.5Å; L272-I277 HydrophobicContact CD2-CG2 4.33Å; L272-D278 WeakPolarHBondContact O-CB 3.28Å
273S98.4Very high97.4Very high79 Ų7958.9 Ų58.955%0.55232%0.319SS*.THydrogen-bonded Turntrans-79.31178.270.20000115.5E269 K270 A271E269-S273 PolarHBondContact O-N 3.44Å; K270-S273 PolarHBondContact O-N 3.15Å; K270-S273 PolarHBondContact O-OG 3.43Å; A271-S273 PolarHBondContact O-N 3.41Å
274H98.8Very high97.7Very high14 Ų1459.4 Ų59.47%0.06532%0.317CS..SBendtrans-74.4141.7-177.5-171.6-85.4000111.5S249 D252 F253 H256 A271 L272 W276 I277 D278S249-H274 PolarHBondContact O-CE1 3.19Å; S249-H274 PolarHBondContact OG-CE1 2.82Å; D252-H274 IonicContact OD2-CD2 2.73Å; D252-H274 IonicContact OD2-CE1 2.72Å; D252-H274 CovalentContact OD2-NE2 1.79Å; D252-H274 IonicContact OD2-NE2 3.54Å; D252-H274 PolarHBondContact OD2-NE2 3.4Å; F253-H274 HydrophobicContact CD2-CB 3.78Å; F253-H274 AromaticContact CD2-CG 3.71Å; F253-H274 AromaticContact CD2-ND1 3.78Å; F253-H274 HydrophobicContact CE2-CB 4.26Å; H256-H274 AromaticContact ND1-NE2 3.86Å; A271-H274 WeakPolarHBondContact O-CB 3.27Å; A271-H274 PolarHBondContact O-N 3.03Å; A271-H274 VanDerWaalsContact O-N 3.15Å; L272-H274 VanDerWaalsContact C-N 3.28Å; L272-H274 PolarHBondContact O-N 3.5Å; H274-W276 WeakPolarHBondContact ND1-CB 3.42Å; H274-W276 PolarHBondContact ND1-N 3.05Å; H274-W276 PolarHBondContact O-N 3.06Å; H274-I277 PolarHBondContact O-N 2.97Å; H274-D278 PolarHBondContact O-N 3.29Å
275P98.6Very high97.8Very high66 Ų6659.1 Ų59.143%0.42931%0.31SS..Hα-helixtrans-55.9-24.2-178.2-29.236.3000116.1I277 G279 T281P275-I277 VanDerWaalsContact C-N 3.29Å; P275-G279 CarbonylContact O-C 3.48Å; P275-G279 WeakPolarHBondContact O-CA 3.48Å; P275-G279 PolarHBondContact O-N 2.94Å; P275-G279 VanDerWaalsContact O-N 3.08Å; P275-T281 HydrophobicContact CB-CG2 3.93Å; P275-T281 PolarHBondContact O-OG1 3.37Å
276W98.8Very high97.8Very high0 Ų061.9 Ų61.90%033%0.325CS..Hα-helixtrans-74-20.9175.8-168.274.4000112.9E117 A120 S121 I124 T209 L213 A250 F253 H274 T281 A282E117-W276 HydrophobicContact CB-CZ2 4.31Å; E117-W276 PolarHBondContact OE2-NE1 2.92Å; A120-W276 HydrophobicContact CB-CH2 4.07Å; A120-W276 HydrophobicContact CB-CZ2 4.3Å; S121-W276 WeakPolarHBondContact CB-O 3.13Å; S121-W276 PolarHBondContact OG-O 3.37Å; I124-W276 HydrophobicContact CB-CZ3 4.44Å; T209-W276 HydrophobicContact CG2-CH2 3.85Å; T209-W276 HydrophobicContact CG2-CZ3 3.78Å; L213-W276 HydrophobicContact CD1-CH2 4.4Å; L213-W276 HydrophobicContact CD1-CZ2 4.02Å; L213-W276 HydrophobicContact CD2-CZ2 4.11Å; A250-W276 HydrophobicContact CB-CD2 4.35Å; A250-W276 HydrophobicContact CB-CG 4.4Å; A250-W276 HydrophobicContact CB-CZ2 4.29Å; F253-W276 HydrophobicContact CB-CB 4.2Å; F253-W276 HydrophobicContact CB-CE3 4.34Å; F253-W276 HydrophobicContact CD1-CD2 4.47Å; F253-W276 AromaticContact CD1-CE3 3.54Å; F253-W276 HydrophobicContact CD1-CE3 3.54Å; F253-W276 AromaticContact CD1-CZ3 3.81Å; F253-W276 HydrophobicContact CD1-CZ3 3.81Å; F253-W276 HydrophobicContact CD2-CE3 4.4Å; F253-W276 AromaticContact CE1-CE3 3.87Å; F253-W276 HydrophobicContact CE1-CE3 3.87Å; F253-W276 AromaticContact CE1-CZ3 3.82Å; F253-W276 HydrophobicContact CE1-CZ3 3.82Å; F253-W276 AromaticContact CG-CE3 3.83Å; F253-W276 HydrophobicContact CG-CE3 3.83Å; F253-W276 HydrophobicContact CZ-CE3 4.41Å; H274-W276 WeakPolarHBondContact ND1-CB 3.42Å; H274-W276 PolarHBondContact ND1-N 3.05Å; H274-W276 PolarHBondContact O-N 3.06Å; W276-T281 VanDerWaalsContact CA-OG1 3.3Å; W276-T281 WeakPolarHBondContact CA-OG1 3.43Å; W276-T281 PolarHBondContact N-OG1 3.03Å; W276-A282 HydrophobicContact CG-CB 4.28Å
277I98.6Very high97.8Very high2 Ų261 Ų611%0.0132%0.323CS..Hα-helixtrans-100.8-61.1178.2-60.4-62.2000110.8I124 Q125 L128 F253 L272 H274 P275I124-I277 HydrophobicContact CB-CD1 4.28Å; I124-I277 HydrophobicContact CG2-CD1 3.91Å; Q125-I277 HydrophobicContact CB-CG2 3.88Å; Q125-I277 HydrophobicContact CG-CG2 3.73Å; L128-I277 HydrophobicContact CD1-CD1 4.32Å; L128-I277 HydrophobicContact CD1-CG1 4.19Å; F253-I277 HydrophobicContact CD2-CG1 4.15Å; F253-I277 HydrophobicContact CE1-CD1 4.48Å; F253-I277 HydrophobicContact CE2-CD1 4.12Å; F253-I277 HydrophobicContact CE2-CG1 3.54Å; F253-I277 HydrophobicContact CZ-CD1 3.94Å; F253-I277 HydrophobicContact CZ-CG1 3.89Å; L272-I277 HydrophobicContact CD2-CG2 4.33Å; H274-I277 PolarHBondContact O-N 2.97Å; P275-I277 VanDerWaalsContact C-N 3.29Å
278D97.3Very high97.7Very high124 Ų12459.6 Ų59.666%0.66331%0.309SS*.Hα-helixtrans-94.89.2-174.3-165.746.2000113.6L272 H274L272-D278 WeakPolarHBondContact O-CB 3.28Å; H274-D278 PolarHBondContact O-N 3.29Å
279G94.6Very high97.6Very high21 Ų2163.4 Ų63.422%0.21633%0.334CS..SBendtrans-127.7-162.2177.300000113.5P275P275-G279 CarbonylContact O-C 3.48Å; P275-G279 WeakPolarHBondContact O-CA 3.48Å; P275-G279 PolarHBondContact O-N 2.94Å; P275-G279 VanDerWaalsContact O-N 3.08Å
280N95.5Very high97.5Very high162 Ų16259.9 Ų59.987%0.86632%0.322SS*.SBendtrans-115.628.8-174.9-62.8-51.3000112.3
281T98.3Very high97.3Very high54 Ų5455.3 Ų55.333%0.33130%0.302SS..  trans-92.6-15.3178.660.50000113.9S249 P275 W276S249-T281 WeakPolarHBondContact CB-OG1 3.22Å; S249-T281 WeakPolarHBondContact OG-CB 3.43Å; S249-T281 PolarHBondContact OG-OG1 3.31Å; P275-T281 HydrophobicContact CB-CG2 3.93Å; P275-T281 PolarHBondContact O-OG1 3.37Å; W276-T281 VanDerWaalsContact CA-OG1 3.3Å; W276-T281 WeakPolarHBondContact CA-OG1 3.43Å; W276-T281 PolarHBondContact N-OG1 3.03Å
282A98.3Very high97.1Very high4 Ų455.7 Ų55.73%0.03331%0.305CS..SBendtrans-68.4127.8170.100000110.5E117 K118 W276E117-A282 HydrophobicContact CB-CB 4.3Å; K118-A282 HydrophobicContact CB-CB 4.45Å; K118-A282 HydrophobicContact CD-CB 4.01Å; W276-A282 HydrophobicContact CG-CB 4.28Å
283L98Very high96.8Very high69 Ų6957.9 Ų57.936%0.36132%0.316SS..  trans-79147.9-174.4-58.1-179.5000113.7E117 K118 R285E117-L283 HydrophobicContact CB-CB 4.46Å; E117-L283 WeakPolarHBondContact CB-O 3.45Å; E117-L283 HydrophobicContact CG-CB 4.41Å; E117-L283 PolarHBondContact N-O 2.66Å; E117-L283 WeakPolarHBondContact OE1-CD1 3.14Å; E117-L283 PolarHBondContact OE2-N 3.43Å; K118-L283 PolarHBondContact N-O 2.78Å; L283-R285 VanDerWaalsContact C-N 3.31Å; L283-R285 HydrophobicContact CB-CB 4.48Å
284H97.9Very high96.5Very high148 Ų14855.2 Ų55.269%0.68530%0.295SS*.  trans-93.719.2171.2-67.7-84.1000113
285R96.2Very high96.1Very high127 Ų12754.6 Ų54.648%0.47929%0.292SS..  trans-76.3135.7176.3-176172.3-177177.8-8.2109.5T116 D245 L283 I287T116-R285 WeakPolarHBondContact CA-O 3.28Å; D245-R285 IonicContact OD1-CZ 3.99Å; D245-R285 IonicContact OD1-NH1 3Å; D245-R285 PolarHBondContact OD1-NH1 3.11Å; D245-R285 IonicContact OD1-NH2 3.64Å; D245-R285 PolarHBondContact OD1-NH2 3.35Å; D245-R285 IonicContact OD2-CZ 1.79Å; D245-R285 IonicContact OD2-NE 2.7Å; D245-R285 IonicContact OD2-NH1 3.11Å; D245-R285 IonicContact OD2-NH2 3.28Å; D245-R285 PolarHBondContact OD2-NH2 2.95Å; L283-R285 VanDerWaalsContact C-N 3.31Å; L283-R285 HydrophobicContact CB-CB 4.48Å; R285-I287 PolarHBondContact O-N 2.86Å
286D97.6Very high95.6Very high68 Ų6856.5 Ų56.536%0.36430%0.296SS..BIsolated β-bridgetrans-69.4117.7171.9-177.234.9000110.5V114 Y115 Y288V114-D286 HydrophobicContact CG2-CB 4.17Å; Y115-D286 PolarHBondContact N-OD1 3.12Å; Y115-D286 WeakPolarHBondContact O-CA 3.37Å; Y115-D286 VanDerWaalsContact O-OD1 3.12Å; D286-Y288 WeakPolarHBondContact OD1-CB 3.38Å; D286-Y288 PolarHBondContact OD1-N 3.4Å; D286-Y288 VanDerWaalsContact OD1-N 3.07Å
287I97.1Very high95Very high13 Ų1361.2 Ų61.27%0.06732%0.316CS..  trans-111.5-1176.259.7172.1000111.5Y115 L213 I246 R285 P289 S290 V291Y115-I287 HydrophobicContact CD1-CD1 4.27Å; Y115-I287 HydrophobicContact CD1-CG1 4.05Å; Y115-I287 HydrophobicContact CE1-CD1 4.38Å; Y115-I287 VanDerWaalsContact O-CG1 3.26Å; Y115-I287 WeakPolarHBondContact O-CG1 3.42Å; Y115-I287 PolarHBondContact O-N 2.91Å; L213-I287 HydrophobicContact CD2-CD1 4.18Å; I246-I287 HydrophobicContact CD1-CD1 3.84Å; I246-I287 HydrophobicContact CD1-CG2 3.99Å; R285-I287 PolarHBondContact O-N 2.86Å; I287-P289 VanDerWaalsContact C-CD 3.42Å; I287-S290 PolarHBondContact O-N 3.49Å; I287-V291 HydrophobicContact CB-CG2 4.23Å; I287-V291 HydrophobicContact CD1-CG2 4Å; I287-V291 HydrophobicContact CG1-CG2 4.05Å; I287-V291 WeakPolarHBondContact O-CG2 3.2Å; I287-V291 PolarHBondContact O-N 3.49Å; I287-V291 VanDerWaalsContact O-N 3.08Å
288Y96.8Very high94.2Very high46 Ų4662.6 Ų62.618%0.1832%0.323CS..Hα-helixtrans-49.5-43.8-179.6177.5-94.5000114.3I109 L110 G113 Y115 D286 S290 V291 S292I109-Y288 WeakPolarHBondContact O-CE2 3.43Å; L110-Y288 PolarHBondContact O-OH 2.91Å; G113-Y288 VanDerWaalsContact O-CD1 3.23Å; G113-Y288 WeakPolarHBondContact O-CD1 3.47Å; Y115-Y288 PolarHBondContact O-N 3.25Å; D286-Y288 WeakPolarHBondContact OD1-CB 3.38Å; D286-Y288 PolarHBondContact OD1-N 3.4Å; D286-Y288 VanDerWaalsContact OD1-N 3.07Å; Y288-S290 VanDerWaalsContact C-N 3.28Å; Y288-S290 PolarHBondContact O-N 3.11Å; Y288-V291 PolarHBondContact O-N 3.35Å; Y288-S292 WeakPolarHBondContact O-CB 3.34Å; Y288-S292 PolarHBondContact O-N 3.19Å; Y288-S292 PolarHBondContact O-OG 3.4Å
289P96.1Very high92.9Very high83 Ų8358 Ų5854%0.53930%0.298SS..Hα-helixtrans-61.9-33.3-176.6-25.335.9000114I287 L293I287-P289 VanDerWaalsContact C-CD 3.42Å; P289-L293 WeakPolarHBondContact O-CB 3.42Å
290S94.9Very high91.2Very high44 Ų4459.5 Ų59.531%0.30831%0.308SS..Hα-helixtrans-80.4-52.3176.3-172.90000110.7I287 Y288 L293 Q294I287-S290 PolarHBondContact O-N 3.49Å; Y288-S290 VanDerWaalsContact C-N 3.28Å; Y288-S290 PolarHBondContact O-N 3.11Å; S290-L293 PolarHBondContact O-N 3.19Å; S290-Q294 WeakPolarHBondContact O-CG 3.27Å; S290-Q294 PolarHBondContact O-N 3.4Å; S290-Q294 VanDerWaalsContact O-N 3.11Å
291V94.4Very high89.2Confident1 Ų156.5 Ų56.51%0.00629%0.287CS..Hα-helixtrans-63.1-48-174.1174.60000111.6Y115 L213 I287 Y288 L293 Q294 I295Y115-V291 HydrophobicContact CD1-CG1 4.42Å; Y115-V291 HydrophobicContact CE1-CG1 4.44Å; L213-V291 VanDerWaalsContact O-CG2 3.25Å; L213-V291 WeakPolarHBondContact O-CG2 3.29Å; I287-V291 HydrophobicContact CB-CG2 4.23Å; I287-V291 HydrophobicContact CD1-CG2 4Å; I287-V291 HydrophobicContact CG1-CG2 4.05Å; I287-V291 WeakPolarHBondContact O-CG2 3.2Å; I287-V291 PolarHBondContact O-N 3.49Å; I287-V291 VanDerWaalsContact O-N 3.08Å; Y288-V291 PolarHBondContact O-N 3.35Å; V291-L293 VanDerWaalsContact C-N 3.33Å; V291-L293 PolarHBondContact O-N 2.77Å; V291-Q294 PolarHBondContact O-N 3.21Å; V291-I295 HydrophobicContact CG1-CD1 3.6Å; V291-I295 HydrophobicContact CG1-CG1 4.25Å; V291-I295 VanDerWaalsContact O-CG1 3.31Å; V291-I295 WeakPolarHBondContact O-CG1 3.35Å; V291-I295 PolarHBondContact O-N 3.34Å
292S93.6Very high87.2Confident8 Ų855.6 Ų55.66%0.05628%0.283CS..Hα-helixtrans-61.7-39.3-18064.50000112.5Y288 I295 Q296Y288-S292 WeakPolarHBondContact O-CB 3.34Å; Y288-S292 PolarHBondContact O-N 3.19Å; Y288-S292 PolarHBondContact O-OG 3.4Å; S292-I295 PolarHBondContact O-N 3.42Å; S292-Q296 WeakPolarHBondContact O-CB 3.28Å; S292-Q296 VanDerWaalsContact O-CG 3.28Å; S292-Q296 WeakPolarHBondContact O-CG 3.44Å; S292-Q296 PolarHBondContact O-N 3.23Å; S292-Q296 PolarHBondContact O-NE2 2.9Å
293L93.4Very high85Confident82 Ų8259.5 Ų59.543%0.42930%0.299SS..Hα-helixtrans-65.9-38.4177.5-178.462.7000111.8P289 S290 V291 K297P289-L293 WeakPolarHBondContact O-CB 3.42Å; S290-L293 PolarHBondContact O-N 3.19Å; V291-L293 VanDerWaalsContact C-N 3.33Å; V291-L293 PolarHBondContact O-N 2.77Å; L293-K297 HydrophobicContact CD1-CD 4.42Å; L293-K297 HydrophobicContact CG-CD 4.24Å; L293-K297 WeakPolarHBondContact O-CB 3.27Å; L293-K297 WeakPolarHBondContact O-CD 3.28Å; L293-K297 WeakPolarHBondContact O-CG 3.28Å; L293-K297 PolarHBondContact O-N 3.11Å; L293-K297 VanDerWaalsContact O-N 3.11Å
294Q92.8Very high81.9Confident24 Ų2466 Ų6611%0.11232%0.319CS..Hα-helixtrans-73.2-43.4176.1-66.1-57.6-17.800112.2C214 G215 Y216 F242 S290 V291 Q296 K297 N298C214-Q294 WeakPolarHBondContact O-CB 3.47Å; C214-Q294 WeakPolarHBondContact O-CG 3.33Å; G215-Q294 CarbonylContact O-C 3.31Å; G215-Q294 VanDerWaalsContact O-C 3.31Å; Y216-Q294 HydrophobicContact CD1-CG 4.38Å; F242-Q294 HydrophobicContact CD1-CG 4.37Å; F242-Q294 HydrophobicContact CE1-CG 4.44Å; S290-Q294 WeakPolarHBondContact O-CG 3.27Å; S290-Q294 PolarHBondContact O-N 3.4Å; S290-Q294 VanDerWaalsContact O-N 3.11Å; V291-Q294 PolarHBondContact O-N 3.21Å; Q294-Q296 VanDerWaalsContact C-N 3.34Å; Q294-Q296 PolarHBondContact O-N 2.83Å; Q294-K297 PolarHBondContact O-N 3.44Å; Q294-N298 WeakPolarHBondContact O-CB 3.46Å; Q294-N298 PolarHBondContact O-N 2.97Å; Q294-N298 PolarHBondContact O-ND2 2.86Å; Q294-N298 PolarHBondContact OE1-ND2 3.32Å
295I89.1Confident79.4Confident1 Ų164.9 Ų64.91%0.00531%0.308CS..Hα-helixtrans-54-52.6173-68.4166000109.3F106 I109 L110 G215 V291 S292 K297 N298 F299F106-I295 HydrophobicContact CB-CG2 4.17Å; F106-I295 HydrophobicContact CD1-CD1 3.59Å; F106-I295 HydrophobicContact CD1-CG1 4.05Å; F106-I295 HydrophobicContact CE1-CD1 4.14Å; F106-I295 HydrophobicContact CE1-CG1 4.44Å; I109-I295 HydrophobicContact CG2-CD1 3.93Å; L110-I295 HydrophobicContact CD1-CG2 3.94Å; L110-I295 HydrophobicContact CD2-CB 4.12Å; L110-I295 HydrophobicContact CD2-CG2 4.01Å; L110-I295 HydrophobicContact CG-CG2 4.04Å; G215-I295 PolarHBondContact O-N 3.27Å; V291-I295 HydrophobicContact CG1-CD1 3.6Å; V291-I295 HydrophobicContact CG1-CG1 4.25Å; V291-I295 VanDerWaalsContact O-CG1 3.31Å; V291-I295 WeakPolarHBondContact O-CG1 3.35Å; V291-I295 PolarHBondContact O-N 3.34Å; S292-I295 PolarHBondContact O-N 3.42Å; I295-K297 PolarHBondContact O-N 2.95Å; I295-N298 PolarHBondContact O-N 2.91Å; I295-F299 HydrophobicContact CB-CD2 4.39Å; I295-F299 HydrophobicContact CG2-CB 4.45Å; I295-F299 HydrophobicContact CG2-CD2 3.8Å; I295-F299 HydrophobicContact CG2-CE2 4.45Å; I295-F299 HydrophobicContact CG2-CG 4.24Å; I295-F299 VanDerWaalsContact O-CB 3.28Å; I295-F299 WeakPolarHBondContact O-CB 3.26Å; I295-F299 PolarHBondContact O-N 2.97Å
296Q88.1Confident77.1Confident106 Ų10663.4 Ų63.450%0.49531%0.307SS..Hα-helixtrans-57.3-45.8178.6-72.8173.45400112.6L110 S292 Q294 N298 A300L110-Q296 HydrophobicContact CD1-CG 4.09Å; L110-Q296 HydrophobicContact CD2-CG 3.91Å; S292-Q296 WeakPolarHBondContact O-CB 3.28Å; S292-Q296 VanDerWaalsContact O-CG 3.28Å; S292-Q296 WeakPolarHBondContact O-CG 3.44Å; S292-Q296 PolarHBondContact O-N 3.23Å; S292-Q296 PolarHBondContact O-NE2 2.9Å; Q294-Q296 VanDerWaalsContact C-N 3.34Å; Q294-Q296 PolarHBondContact O-N 2.83Å; Q296-N298 VanDerWaalsContact C-N 3.34Å; Q296-N298 PolarHBondContact O-N 3.46Å; Q296-A300 WeakPolarHBondContact O-CB 3.29Å; Q296-A300 PolarHBondContact O-N 3.24Å
297K87.4Confident74.1Confident99 Ų9963.1 Ų63.143%0.4331%0.314SS..Hα-helixtrans-64.4-33179.2-77169.5-178.9171.40113.9L293 Q294 I295 K301L293-K297 HydrophobicContact CD1-CD 4.42Å; L293-K297 HydrophobicContact CG-CD 4.24Å; L293-K297 WeakPolarHBondContact O-CB 3.27Å; L293-K297 WeakPolarHBondContact O-CD 3.28Å; L293-K297 WeakPolarHBondContact O-CG 3.28Å; L293-K297 PolarHBondContact O-N 3.11Å; L293-K297 VanDerWaalsContact O-N 3.11Å; Q294-K297 PolarHBondContact O-N 3.44Å; I295-K297 PolarHBondContact O-N 2.95Å; K297-K301 WeakPolarHBondContact O-CD 3.26Å; K297-K301 VanDerWaalsContact O-CE 3.24Å; K297-K301 WeakPolarHBondContact O-CE 3.29Å; K297-K301 WeakPolarHBondContact O-CG 3.33Å
298N80.1Confident71.1Confident31 Ų3169.6 Ų69.617%0.16634%0.342CS..Hα-helixtrans-103.3-34.4-169.5-60.8-41.4000112.5G215 Q294 I295 Q296 K301 S302G215-N298 PolarHBondContact O-ND2 3.08Å; Q294-N298 WeakPolarHBondContact O-CB 3.46Å; Q294-N298 PolarHBondContact O-N 2.97Å; Q294-N298 PolarHBondContact O-ND2 2.86Å; Q294-N298 PolarHBondContact OE1-ND2 3.32Å; I295-N298 PolarHBondContact O-N 2.91Å; Q296-N298 VanDerWaalsContact C-N 3.34Å; Q296-N298 PolarHBondContact O-N 3.46Å; N298-K301 WeakPolarHBondContact O-CB 3.32Å; N298-K301 PolarHBondContact O-N 3.46Å; N298-K301 PolarHBondContact OD1-NZ 2.9Å; N298-S302 PolarHBondContact O-N 2.98Å
299F70.8Confident68.2Low28 Ų2872 Ų7212%0.12336%0.358CS..Hα-helixtrans-75.3-27.4171.4-79.3-100.2000113.1F106 I211 I295 K301 S302 K303F106-F299 AromaticContact CD2-CE1 3.65Å; F106-F299 HydrophobicContact CD2-CE1 3.65Å; F106-F299 AromaticContact CD2-CE2 3.83Å; F106-F299 HydrophobicContact CD2-CE2 3.83Å; F106-F299 AromaticContact CD2-CZ 3.21Å; F106-F299 HydrophobicContact CD2-CZ 3.21Å; F106-F299 HydrophobicContact CE2-CE1 4.19Å; F106-F299 AromaticContact CE2-CE2 3.97Å; F106-F299 HydrophobicContact CE2-CE2 3.97Å; F106-F299 AromaticContact CE2-CZ 3.38Å; F106-F299 HydrophobicContact CE2-CZ 3.38Å; F106-F299 HydrophobicContact CG-CE1 4.45Å; F106-F299 HydrophobicContact CG-CE2 4.26Å; F106-F299 HydrophobicContact CG-CZ 4.03Å; F106-F299 HydrophobicContact CZ-CZ 4.33Å; I211-F299 HydrophobicContact CG2-CE2 4.29Å; I295-F299 HydrophobicContact CB-CD2 4.39Å; I295-F299 HydrophobicContact CG2-CB 4.45Å; I295-F299 HydrophobicContact CG2-CD2 3.8Å; I295-F299 HydrophobicContact CG2-CE2 4.45Å; I295-F299 HydrophobicContact CG2-CG 4.24Å; I295-F299 VanDerWaalsContact O-CB 3.28Å; I295-F299 WeakPolarHBondContact O-CB 3.26Å; I295-F299 PolarHBondContact O-N 2.97Å; F299-K301 VanDerWaalsContact C-N 3.28Å; F299-K301 PolarHBondContact O-N 3.14Å; F299-S302 WeakPolarHBondContact CA-OG 3.44Å; F299-S302 PolarHBondContact O-N 2.57Å; F299-S302 PolarHBondContact O-OG 2.79Å; F299-S302 VanDerWaalsContact O-OG 3.12Å; F299-K303 WeakPolarHBondContact O-CB 3.39Å; F299-K303 PolarHBondContact O-N 2.85Å
300A58.6Low65.1Low51 Ų5170.8 Ų70.842%0.42136%0.355SS..Hα-helixtrans-57.7-45.5164.700000110.4Q296 S302 W304Q296-A300 WeakPolarHBondContact O-CB 3.29Å; Q296-A300 PolarHBondContact O-N 3.24Å; A300-S302 PolarHBondContact O-N 3.01Å; A300-W304 VanDerWaalsContact O-CB 3.29Å; A300-W304 WeakPolarHBondContact O-CB 3.28Å; A300-W304 PolarHBondContact O-N 3Å
301K54.4Low61.9Low100 Ų10071.5 Ų71.544%0.43536%0.363SS..Hα-helixtrans-65.4-35.1176-61.3167.4-167.41590112.5K297 N298 F299 R305K297-K301 WeakPolarHBondContact O-CD 3.26Å; K297-K301 VanDerWaalsContact O-CE 3.24Å; K297-K301 WeakPolarHBondContact O-CE 3.29Å; K297-K301 WeakPolarHBondContact O-CG 3.33Å; N298-K301 WeakPolarHBondContact O-CB 3.32Å; N298-K301 PolarHBondContact O-N 3.46Å; N298-K301 PolarHBondContact OD1-NZ 2.9Å; F299-K301 VanDerWaalsContact C-N 3.28Å; F299-K301 PolarHBondContact O-N 3.14Å; K301-R305 WeakPolarHBondContact O-CB 3.29Å; K301-R305 VanDerWaalsContact O-CG 3.27Å; K301-R305 WeakPolarHBondContact O-CG 3.34Å; K301-R305 PolarHBondContact O-N 3.33Å
302S55.7Low59Low34 Ų3473.6 Ų73.624%0.23838%0.381CS..Hα-helixtrans-72.8-48.9177.676.50000112.2N298 F299 A300 W304 R305 Q306N298-S302 PolarHBondContact O-N 2.98Å; F299-S302 WeakPolarHBondContact CA-OG 3.44Å; F299-S302 PolarHBondContact O-N 2.57Å; F299-S302 PolarHBondContact O-OG 2.79Å; F299-S302 VanDerWaalsContact O-OG 3.12Å; A300-S302 PolarHBondContact O-N 3.01Å; S302-W304 VanDerWaalsContact C-N 3.26Å; S302-W304 PolarHBondContact O-N 3.31Å; S302-R305 PolarHBondContact O-N 3.3Å; S302-R305 VanDerWaalsContact O-N 3.08Å; S302-Q306 WeakPolarHBondContact O-CB 3.31Å; S302-Q306 WeakPolarHBondContact O-CG 3.47Å; S302-Q306 PolarHBondContact O-N 2.7Å
303K51.9Low56.3Low87 Ų8777 Ų7738%0.37840%0.401SS..Hα-helixtrans-58.8-37.5174.5-71.6-179174.1174.70110.5D107 F299 A307D107-K303 IonicContact OD1-NZ 3.32Å; D107-K303 PolarHBondContact OD1-NZ 2.91Å; D107-K303 VanDerWaalsContact OD1-NZ 3.11Å; D107-K303 IonicContact OD2-NZ 2.92Å; D107-K303 PolarHBondContact OD2-NZ 3.43Å; F299-K303 WeakPolarHBondContact O-CB 3.39Å; F299-K303 PolarHBondContact O-N 2.85Å; K303-A307 VanDerWaalsContact O-CB 3.28Å; K303-A307 WeakPolarHBondContact O-CB 3.24Å; K303-A307 PolarHBondContact O-N 3.19Å
304W33.4Very low53.8Low204 Ų20476.3 Ų76.377%0.77340%0.4SS*.Hα-helixtrans-66.9-43.6170.4-88.980.2000114.1A300 S302 A307 F308A300-W304 VanDerWaalsContact O-CB 3.29Å; A300-W304 WeakPolarHBondContact O-CB 3.28Å; A300-W304 PolarHBondContact O-N 3Å; S302-W304 VanDerWaalsContact C-N 3.26Å; S302-W304 PolarHBondContact O-N 3.31Å; W304-A307 PolarHBondContact O-N 2.82Å; W304-F308 VanDerWaalsContact O-CB 3.27Å; W304-F308 WeakPolarHBondContact O-CB 3.34Å; W304-F308 PolarHBondContact O-N 2.85Å
305R44.9Very low50.8Low125 Ų12581.4 Ų81.447%0.47242%0.424SS..Hα-helixtrans-65.7-40.5176.4-79.5176.7179.6-177.31.7112Y220 K301 S302 F308 N309Y220-R305 PolarHBondContact OH-NH2 2.84Å; K301-R305 WeakPolarHBondContact O-CB 3.29Å; K301-R305 VanDerWaalsContact O-CG 3.27Å; K301-R305 WeakPolarHBondContact O-CG 3.34Å; K301-R305 PolarHBondContact O-N 3.33Å; S302-R305 PolarHBondContact O-N 3.3Å; S302-R305 VanDerWaalsContact O-N 3.08Å; R305-F308 PolarHBondContact O-N 2.81Å; R305-N309 VanDerWaalsContact O-CB 3.26Å; R305-N309 WeakPolarHBondContact O-CB 3.49Å; R305-N309 PolarHBondContact O-N 2.81Å
306Q47.4Very low48.3Very low97 Ų9785.9 Ų85.945%0.45344%0.444SS..Hα-helixtrans-62.7-47.5174.4-73.2175.6-4.800110.7E147 S302 F308 N309 A310E147-Q306 PolarHBondContact OE1-NE2 3.42Å; E147-Q306 VanDerWaalsContact OE1-NE2 3.16Å; S302-Q306 WeakPolarHBondContact O-CB 3.31Å; S302-Q306 WeakPolarHBondContact O-CG 3.47Å; S302-Q306 PolarHBondContact O-N 2.7Å; Q306-F308 PolarHBondContact O-N 3.33Å; Q306-N309 PolarHBondContact O-N 3.44Å; Q306-A310 VanDerWaalsContact O-CB 3.25Å; Q306-A310 WeakPolarHBondContact O-CB 3.37Å; Q306-A310 PolarHBondContact O-N 2.86Å
307A35.3Very low46Very low61 Ų6186.5 Ų86.550%0.50445%0.449SS..Hα-helixtrans-62.1-41.8175.500000112.7K303 W304 A311K303-A307 VanDerWaalsContact O-CB 3.28Å; K303-A307 WeakPolarHBondContact O-CB 3.24Å; K303-A307 PolarHBondContact O-N 3.19Å; W304-A307 PolarHBondContact O-N 2.82Å; A307-A311 VanDerWaalsContact O-CB 3.28Å; A307-A311 WeakPolarHBondContact O-CB 3.39Å; A307-A311 PolarHBondContact O-N 3.17Å
308F34.6Very low43.7Very low149 Ų14990.1 Ų90.165%0.65446%0.46SS*.Hα-helixtrans-66.2-44.8177.1-176-94.1000112.1W304 R305 Q306 A311 A312W304-F308 VanDerWaalsContact O-CB 3.27Å; W304-F308 WeakPolarHBondContact O-CB 3.34Å; W304-F308 PolarHBondContact O-N 2.85Å; R305-F308 PolarHBondContact O-N 2.81Å; Q306-F308 PolarHBondContact O-N 3.33Å; F308-A311 PolarHBondContact O-N 3.1Å; F308-A312 VanDerWaalsContact O-CB 3.32Å; F308-A312 WeakPolarHBondContact O-CB 3.43Å; F308-A312 PolarHBondContact O-N 2.88Å
309N35.7Very low41.5Very low98 Ų9894.8 Ų94.852%0.52448%0.479SS..Hα-helixtrans-66.4-41177.6-71.8-6.2000111.3R305 Q306 A312 V313R305-N309 VanDerWaalsContact O-CB 3.26Å; R305-N309 WeakPolarHBondContact O-CB 3.49Å; R305-N309 PolarHBondContact O-N 2.81Å; Q306-N309 PolarHBondContact O-N 3.44Å; N309-A312 PolarHBondContact O-N 3.38Å; N309-V313 WeakPolarHBondContact O-CB 3.22Å; N309-V313 VanDerWaalsContact O-CG2 3.29Å; N309-V313 WeakPolarHBondContact O-CG2 3.36Å; N309-V313 PolarHBondContact O-N 2.86Å
310A31.1Very low39.9Very low57 Ų5797.4 Ų97.447%0.47149%0.493SS..Hα-helixtrans-61.1-44.3172.500000111.6Q306 V313 V314Q306-A310 VanDerWaalsContact O-CB 3.25Å; Q306-A310 WeakPolarHBondContact O-CB 3.37Å; Q306-A310 PolarHBondContact O-N 2.86Å; A310-V313 PolarHBondContact O-N 2.91Å; A310-V314 WeakPolarHBondContact O-CB 3.46Å; A310-V314 VanDerWaalsContact O-CG2 3.29Å; A310-V314 WeakPolarHBondContact O-CG2 3.14Å; A310-V314 PolarHBondContact O-N 3Å
311A27.7Very low39.2Very low58 Ų58101.9 Ų101.948%0.47951%0.505SS..Hα-helixtrans-64.5-38.5175.400000112.6A307 F308 V314 H315A307-A311 VanDerWaalsContact O-CB 3.28Å; A307-A311 WeakPolarHBondContact O-CB 3.39Å; A307-A311 PolarHBondContact O-N 3.17Å; F308-A311 PolarHBondContact O-N 3.1Å; A311-V314 PolarHBondContact O-N 3.28Å; A311-H315 VanDerWaalsContact O-CB 3.28Å; A311-H315 WeakPolarHBondContact O-CB 3.34Å; A311-H315 PolarHBondContact O-N 3.41Å
312A32.4Very low38.4Very low46 Ų46104.3 Ų104.338%0.3852%0.52SS..Hα-helixtrans-67-42.6175.800000111.8F308 N309 H315 H316F308-A312 VanDerWaalsContact O-CB 3.32Å; F308-A312 WeakPolarHBondContact O-CB 3.43Å; F308-A312 PolarHBondContact O-N 2.88Å; N309-A312 PolarHBondContact O-N 3.38Å; A312-H315 PolarHBondContact O-N 3.43Å; A312-H316 VanDerWaalsContact O-CB 3.29Å; A312-H316 WeakPolarHBondContact O-CB 3.44Å; A312-H316 PolarHBondContact O-N 3.22Å
313V37.7Very low37.5Very low78 Ų78108.6 Ų108.647%0.47354%0.54SS..Hα-helixtrans-63.1-45.7173.2169.80000110.7N309 A310 H315 H316 M317N309-V313 WeakPolarHBondContact O-CB 3.22Å; N309-V313 VanDerWaalsContact O-CG2 3.29Å; N309-V313 WeakPolarHBondContact O-CG2 3.36Å; N309-V313 PolarHBondContact O-N 2.86Å; A310-V313 PolarHBondContact O-N 2.91Å; V313-H315 VanDerWaalsContact C-N 3.34Å; V313-H315 PolarHBondContact O-N 3.09Å; V313-H316 PolarHBondContact O-N 2.98Å; V313-M317 HydrophobicContact CG1-CE 3.97Å; V313-M317 HydrophobicContact CG1-CG 4.39Å; V313-M317 HydrophobicContact CG1-SD 4.09Å; V313-M317 WeakPolarHBondContact O-CB 3.16Å; V313-M317 WeakPolarHBondContact O-CG 3.07Å; V313-M317 PolarHBondContact O-N 3.49Å
314V40.4Very low36.8Very low69 Ų69110.7 Ų110.742%0.41856%0.555SS.*Hα-helixtrans-62.9-38.9175.1169.10000111.6A310 A311 R318A310-V314 WeakPolarHBondContact O-CB 3.46Å; A310-V314 VanDerWaalsContact O-CG2 3.29Å; A310-V314 WeakPolarHBondContact O-CG2 3.14Å; A310-V314 PolarHBondContact O-N 3Å; A311-V314 PolarHBondContact O-N 3.28Å; V314-R318 WeakPolarHBondContact O-CB 3.43Å; V314-R318 VanDerWaalsContact O-CG 3.29Å; V314-R318 WeakPolarHBondContact O-CG 3.4Å; V314-R318 PolarHBondContact O-N 3.13Å
315H30.2Very low36.9Very low130 Ų130108.6 Ų108.660%0.60255%0.553SS**Hα-helixtrans-67.2-41.2175.4-177.327.2000111.7A311 A312 V313 R318 K319A311-H315 VanDerWaalsContact O-CB 3.28Å; A311-H315 WeakPolarHBondContact O-CB 3.34Å; A311-H315 PolarHBondContact O-N 3.41Å; A312-H315 PolarHBondContact O-N 3.43Å; V313-H315 VanDerWaalsContact C-N 3.34Å; V313-H315 PolarHBondContact O-N 3.09Å; H315-R318 PolarHBondContact O-N 3.05Å; H315-K319 WeakPolarHBondContact O-CB 3.45Å; H315-K319 PolarHBondContact O-N 3.1Å
316H37.7Very low36.3Very low96 Ų96108 Ų10844%0.44457%0.569SS.*Hα-helixtrans-65.5-44.5176-164.674.2000111.4A312 V313 K319 L320A312-H316 VanDerWaalsContact O-CB 3.29Å; A312-H316 WeakPolarHBondContact O-CB 3.44Å; A312-H316 PolarHBondContact O-N 3.22Å; V313-H316 PolarHBondContact O-N 2.98Å; H316-K319 WeakPolarHBondContact O-CB 3.45Å; H316-K319 PolarHBondContact O-N 3.35Å; H316-K319 VanDerWaalsContact O-N 3.17Å; H316-L320 WeakPolarHBondContact O-CG 3.24Å; H316-L320 PolarHBondContact O-N 3.27Å
317M38.2Very low35.7Very low118 Ų118109.2 Ų109.258%0.58158%0.584SS**Hα-helixtrans-62.6-40.6173-73.9-176.3170.800112.4V313 K319 L320 H321V313-M317 HydrophobicContact CG1-CE 3.97Å; V313-M317 HydrophobicContact CG1-CG 4.39Å; V313-M317 HydrophobicContact CG1-SD 4.09Å; V313-M317 WeakPolarHBondContact O-CB 3.16Å; V313-M317 WeakPolarHBondContact O-CG 3.07Å; V313-M317 PolarHBondContact O-N 3.49Å; M317-K319 VanDerWaalsContact C-N 3.34Å; M317-K319 PolarHBondContact O-N 3.39Å; M317-L320 PolarHBondContact O-N 2.89Å; M317-H321 PolarHBondContact O-N 3.46Å
318R39Very low35.6Very low175 Ų175109.5 Ų109.566%0.6659%0.593SS**Hα-helixtrans-62.4-39.8171.6-78.7177178.4174.61111.9V314 H315 H321 M322V314-R318 WeakPolarHBondContact O-CB 3.43Å; V314-R318 VanDerWaalsContact O-CG 3.29Å; V314-R318 WeakPolarHBondContact O-CG 3.4Å; V314-R318 PolarHBondContact O-N 3.13Å; H315-R318 PolarHBondContact O-N 3.05Å; R318-H321 PolarHBondContact O-N 3.39Å; R318-M322 VanDerWaalsContact O-CG 3.31Å; R318-M322 WeakPolarHBondContact O-CG 3.31Å; R318-M322 PolarHBondContact O-N 2.99Å
319K34.1Very low35.5Very low130 Ų130110.3 Ų110.357%0.56560%0.603SS**Hα-helixtrans-66.3-36.8176-168.8174.3-177.5176.20112H315 H316 M317 N323H315-K319 WeakPolarHBondContact O-CB 3.45Å; H315-K319 PolarHBondContact O-N 3.1Å; H316-K319 WeakPolarHBondContact O-CB 3.45Å; H316-K319 PolarHBondContact O-N 3.35Å; H316-K319 VanDerWaalsContact O-N 3.17Å; M317-K319 VanDerWaalsContact C-N 3.34Å; M317-K319 PolarHBondContact O-N 3.39Å; K319-N323 PolarHBondContact O-N 3.38Å; K319-N323 VanDerWaalsContact O-N 3.1Å
320L37.3Very low35.3Very low83 Ų83117 Ų11744%0.43562%0.621SS.*Hα-helixtrans-68.8-41.3172.8-70166.9000112.1H316 M317 N323 L324H316-L320 WeakPolarHBondContact O-CG 3.24Å; H316-L320 PolarHBondContact O-N 3.27Å; M317-L320 PolarHBondContact O-N 2.89Å; L320-N323 PolarHBondContact O-N 3.21Å; L320-L324 PolarHBondContact O-N 2.88Å; L320-L324 VanDerWaalsContact O-N 3.13Å
321H43.8Very low35.3Very low145 Ų145120 Ų12067%0.67164%0.636SS**Hα-helixtrans-62.6-41.1172.4-99-177.6000112.7M317 R318 N323 L324M317-H321 PolarHBondContact O-N 3.46Å; R318-H321 PolarHBondContact O-N 3.39Å; H321-N323 VanDerWaalsContact C-N 3.3Å; H321-N323 PolarHBondContact O-N 3.35Å; H321-L324 PolarHBondContact O-N 2.59Å; H321-L324 VanDerWaalsContact O-N 3.16Å
322M38.4Very low35.5Very low151 Ų151126.3 Ų126.374%0.74466%0.655SS**Hα-helixtrans-67.1-29.8176-70.4-66174.200112.7R318 L324R318-M322 VanDerWaalsContact O-CG 3.31Å; R318-M322 WeakPolarHBondContact O-CG 3.31Å; R318-M322 PolarHBondContact O-N 2.99Å; M322-L324 VanDerWaalsContact C-N 3.33Å
323N37.4Very low35.4Very low124 Ų124130.9 Ų130.966%0.66368%0.678SS**Hα-helixtrans-78.5-14.4173.4-73.8-7.1000113.8K319 L320 H321K319-N323 PolarHBondContact O-N 3.38Å; K319-N323 VanDerWaalsContact O-N 3.1Å; L320-N323 PolarHBondContact O-N 3.21Å; H321-N323 VanDerWaalsContact C-N 3.3Å; H321-N323 PolarHBondContact O-N 3.35Å
324L36.4Very low35.1Very low131 Ų131135.2 Ų135.269%0.68669%0.693SS**THydrogen-bonded Turntrans-90.7-2177-87.2160.9000113.6L320 H321 M322L320-L324 PolarHBondContact O-N 2.88Å; L320-L324 VanDerWaalsContact O-N 3.13Å; H321-L324 PolarHBondContact O-N 2.59Å; H321-L324 VanDerWaalsContact O-N 3.16Å; M322-L324 VanDerWaalsContact C-N 3.33Å
325H35.7Very low34.8Very low159 Ų159139.7 Ų139.774%0.73671%0.714SS**  trans-121.383.9168.8-82.631.3000109.5P327H325-P327 WeakPolarHBondContact O-CD 3.47Å
326S32.2Very low34.8Very low114 Ų114143.8 Ų143.880%0.79773%0.725SS**  trans-93.6102.2160.3-1700000107.8G328S326-G328 PolarHBondContact O-N 3.01Å
327P34Very low34.5Very low121 Ų121144.5 Ų144.579%0.78674%0.738SS**  trans-80.6115.4176.711.94.5000108.5H325 I329H325-P327 WeakPolarHBondContact O-CD 3.47Å; P327-I329 PolarHBondContact O-N 3.16Å
328G34.1Very low34.4Very low67 Ų67144.6 Ų144.669%0.69175%0.747SS**  trans-62.9131.5172.400000111.9S326S326-G328 PolarHBondContact O-N 3.01Å
329I32.6Very low33.9Very low167 Ų167145.4 Ų145.486%0.85676%0.759SS**  trans37106.9149.5-49.1175.7000116.4P327P327-I329 PolarHBondContact O-N 3.16Å
330R30Very low33.6Very low238 Ų238145.3 Ų145.390%0.89877%0.769SS**  trans-134.8148.8146.5-74-163.1176.3-159.4-1.8110
331P31.8Very low33.2Very low120 Ų120150.1 Ų150.178%0.77979%0.789SS**  trans-77.9165.1-165.432-37000113.6
332E31.6Very low32.4Very low191 Ų191148.2 Ų148.289%0.89380%0.799SS**  trans-57.1134.3-179.8-61.8164127.200112.8
333V31Very low32Very low141 Ų141146.7 Ų146.786%0.85580%0.803SS**  trans-132.9117.5149.5-178.30000107.5
334E32.2Very low31.5Very low170 Ų170149.6 Ų149.679%0.79481%0.813SS**  trans-61.9136.4177.1-178.2179.2-159.900111.3
335N32.2Very low31.2Very low162 Ų162149.7 Ų149.787%0.86682%0.819SS**  trans-166.3150.1140.8-106.6-55.9000114.8
336R31Very low30.9Very low216 Ų216147.2 Ų147.282%0.81582%0.819SS**PPolyproline II helixtrans-88.9142.9-165.7-175-172-59.3-154.3-0.3112.3
337P31.9Very low30.9Very low111 Ų111153.3 Ų153.372%0.72183%0.825SS**PPolyproline II helixtrans-79.8140.2169.332.8-32.9000111.4
338P34.9Very low30.9Very low121 Ų121153.7 Ų153.779%0.78683%0.827SS**PPolyproline II helixtrans-84.7144.2167.533.4-31.8000111.5
339E29.1Very low30.6Very low192 Ų192156.2 Ų156.290%0.89783%0.834SS**PPolyproline II helixtrans-77.3138.6168.7-57.6171.7130.800110.4
340T28.8Very low30.5Very low128 Ų128153.7 Ų153.779%0.78583%0.832SS**  trans-144.3102155.3-390000112.3
341Q28.1Very low30.6Very low184 Ų184148.1 Ų148.186%0.8683%0.826SS**  trans23.6133143.1-59.6-179.5-3.900120.9
342A26.4Very low30.4Very low105 Ų105151.4 Ų151.487%0.86883%0.831SS**  trans-71.1153163.900000112.5
343S29.9Very low30.4Very low119 Ų119150.1 Ų150.183%0.83283%0.829SS**  trans-139.7141.2158.252.90000110.2
344E28.8Very low30.1Very low185 Ų185149.1 Ų149.186%0.86482%0.823SS**  trans-80.5150.2-177.1-56.7170.912500111.2
345T29.3Very low29.9Very low133 Ų133148.7 Ų148.782%0.81682%0.824SS**  trans-164.5117.61444.80000113.5
346S29.8Very low29.7Very low106 Ų106147 Ų14774%0.74182%0.821SS**  trans36.2117.4144560000121.9
347R31.3Very low29.6Very low242 Ų242145.7 Ų145.791%0.91382%0.824SS**PPolyproline II helixtrans-63.1150.9153.1-70.7174.5168.6172.8-5.1112.4
348P33.4Very low29.4Very low129 Ų129144.7 Ų144.784%0.83883%0.825SS**PPolyproline II helixtrans-92.5155.3147.21.418.8000111.8
349S29.1Very low29.3Very low120 Ų120144.9 Ų144.984%0.83983%0.826SS**PPolyproline II helixtrans-94.4155.1-170.6230000114.7
350S29.3Very low29.2Very low115 Ų115142.1 Ų142.180%0.80482%0.822SS**PPolyproline II helixtrans-69.6148.7165.8-38.50000111.5
351P33.8Very low29.2Very low121 Ų121144.5 Ų144.579%0.78683%0.829SS**PPolyproline II helixtrans-87.6134.1159.932.5-28.5000111.2
352E26.3Very low29.1Very low188 Ų188141.2 Ų141.288%0.87982%0.817SS**PPolyproline II helixtrans-70.6148.9165.6-68.3168.2111.300110.6
353I31Very low29.2Very low165 Ų165143.3 Ų143.385%0.84681%0.809SS**  trans-122.5116160.6-63.9-178.9000107.7
354T26.4Very low29Very low119 Ų119142.8 Ų142.873%0.7381%0.805SS**  trans-68.8133.1-176.9-53.40000111.6
355I27.7Very low29Very low161 Ų161141 Ų14183%0.82681%0.806SS**  trans-74.5128167.9-61.6168.1000108.3
356T28Very low28.9Very low128 Ų128139 Ų13979%0.78580%0.803SS**  trans-113.6137.116732.70000110.5
357E28.8Very low28.7Very low188 Ų188141.7 Ų141.788%0.87981%0.809SS**PPolyproline II helixtrans-77161.3-173.6-64.8179.5125.800113.3
358A28.1Very low28.7Very low90 Ų90136.1 Ų136.174%0.74480%0.804SS**PPolyproline II helixtrans-81.1152.3178.800000112.8
359P31Very low28.3Very low125 Ų125134.3 Ų134.381%0.81280%0.8SS**PPolyproline II helixtrans-85.1130160.632.2-28000110.9
360V27.9Very low28.1Very low133 Ų133136.1 Ų136.181%0.80680%0.799SS**PPolyproline II helixtrans-77.1139.3164.81750000109
361L28.2Very low28Very low178 Ų178136.5 Ų136.593%0.93280%0.797SS**  trans-139153.9157.9-139.5107000110.7
362D26.8Very low27.6Very low116 Ų116139.7 Ų139.762%0.6280%0.801SS**  trans-120157.3-148.7-161.25.6000113.9
363Q27.6Very low27.6Very low149 Ų149138.8 Ų138.870%0.69680%0.802SS**  trans56.8119.5154.1-90.1163.571.100123.5
364S25.5Very low27.5Very low107 Ų107136.3 Ų136.375%0.74880%0.796SS**  trans78.4129.4130.377.20000120.6
365V29.6Very low27.3Very low147 Ų147136.3 Ų136.389%0.89180%0.8SS**  -165.1154.1116.7155.40000107.5
366A27Very low27.2Very low91 Ų91137.8 Ų137.875%0.75280%0.803SS**  trans-87.8169.1-165.500000116.7
367L26.3Very low27.2Very low163 Ų163140.5 Ų140.585%0.85381%0.807SS**  trans-54.4160.6168.5-75.6150.4000114
368P30.7Very low27.1Very low126 Ų126135.2 Ų135.282%0.81880%0.802SS**  -121.8143.4120.42.617.4000112.7
369A24.9Very low26.9Very low91 Ų91142.9 Ų142.975%0.75281%0.812SS**  trans-83.4161.4168.300000111.2
370L25.8Very low26.6Very low157 Ų157148 Ų14882%0.82282%0.815SS**  trans-162.1132.8144.7-109.4170.1000113.9
371T26Very low26.7Very low124 Ų124147.4 Ų147.476%0.76181%0.814SS**  trans59.3114.1153.637.40000122.1
372Q25.2Very low26.7Very low188 Ų188145.7 Ų145.788%0.87981%0.811SS**  trans-80.4150.1151.9-61178.1-7.300111
373L27.7Very low26.7Very low169 Ų169144.8 Ų144.889%0.88582%0.82SS**  trans-138.5153.7155.6-83.3175.6000109.9
374P27.8Very low26.9Very low113 Ų113144 Ų14473%0.73483%0.828SS**  trans-97.3157.6-150.836.4-36.9000116.4
375C22.3Very low27Very low118 Ų118143 Ų14380%0.79783%0.834SS**  trans-63.4143.9174.3-57.50000113.6
376Q26.4Very low26.8Very low192 Ų192139.9 Ų139.990%0.89783%0.831SS**  trans-116.4133.3161.4-67.3-1674.900110.9
377H26.8Very low27.2Very low186 Ų186146.7 Ų146.786%0.86184%0.837SS**PPolyproline II helixtrans-92.3117.7177.6-76.161.6000110.6
378G26.5Very low27.3Very low76 Ų76144.6 Ų144.678%0.78484%0.836SS**PPolyproline II helixtrans-98.8134.6170.400000111.9
379R25.1Very low27.8Very low252 Ų252144.2 Ų144.295%0.95182%0.822SS**PPolyproline II helixtrans-73.9144.8-174.9-69.6176.2173.3174.4-3.2113.1
380R25.5Very low28.5Very low233 Ų233145.3 Ų145.388%0.87982%0.815SS**PPolyproline II helixtrans-101135.3173.6-161.1-176.1-162.6-178.46110.3
381P30.1Very low29.2Very low120 Ų120140.4 Ų140.478%0.77979%0.793SS**PPolyproline II helixtrans-82.8152164.5-4.522.7000111.3
382T26.5Very low29.9Very low142 Ų142142.3 Ų142.387%0.87180%0.798SS**PPolyproline II helixtrans-103.1143.9-179.548.60000112.7
383A26.7Very low30.3Very low97 Ų97138.9 Ų138.980%0.80279%0.79SS**  trans-136.4152.5161.200000109.8
384P32.3Very low30.7Very low133 Ų133137.3 Ų137.386%0.86478%0.782SS**  trans-104.8159.1-161.438.7-34.1000115.1
385G27.7Very low30.6Very low85 Ų85135.5 Ų135.588%0.87678%0.784SS**  trans112.966.9153.200000117.3
386G26.3Very low30.8Very low81 Ų81135.5 Ų135.584%0.83579%0.785SS**PPolyproline II helixtrans-100.8128.4165.100000111.8
387R34.8Very low30.7Very low235 Ų235134.2 Ų134.289%0.88778%0.784SS**PPolyproline II helixtrans-83.4148.4164.3-74.9-177.5174.7-178.2-0.9109.3F389R387-F389 PolarHBondContact O-N 3.29Å
388S28.6Very low30.6Very low119 Ų119136.9 Ų136.983%0.83279%0.786SS**PPolyproline II helixtrans-76.1119.7-178.5-159.20000111
389F39.8Very low30.5Very low118 Ų118141 Ų14152%0.51879%0.788SS.*PPolyproline II helixtrans-86.7156.7165-69.7-85.9000110.2R387 C391R387-F389 PolarHBondContact O-N 3.29Å; F389-C391 PolarHBondContact O-N 3.06Å
390N40.8Very low30.5Very low113 Ų113134.1 Ų134.160%0.60478%0.779SS**SBendtrans-80.140.4-178.7-79.812.1000113.4
391C40.3Very low30.5Very low54 Ų54128.4 Ų128.437%0.36578%0.775SS.*  trans-106116.6173.5-176.90000109.6F389 V393F389-C391 PolarHBondContact O-N 3.06Å; C391-V393 PolarHBondContact O-N 3.23Å
392L41.4Very low30.3Very low165 Ų165128.2 Ų128.286%0.86478%0.777SS**  trans-80.697.9175.3-79.1168.1000110.2N394L392-N394 PolarHBondContact O-N 3.22Å
393V33.3Very low30.2Very low116 Ų116129.7 Ų129.770%0.70378%0.778SS**  trans-73110.9167.2-178.10000108.4C391 G395C391-V393 PolarHBondContact O-N 3.23Å; V393-G395 PolarHBondContact O-N 3.29Å; V393-G395 VanDerWaalsContact O-N 3.16Å
394N35.1Very low30.2Very low136 Ų136132 Ų13273%0.72778%0.782SS**  trans-68.3110.2-176.7-90.8-31.3000112.3L392L392-N394 PolarHBondContact O-N 3.22Å
395G26.2Very low30Very low74 Ų74131.1 Ų131.176%0.76378%0.776SS**  trans-79.4115.8168.800000111.6V393 L397V393-G395 PolarHBondContact O-N 3.29Å; V393-G395 VanDerWaalsContact O-N 3.16Å; G395-L397 PolarHBondContact O-N 3.16Å
396S26.9Very low29.8Very low118 Ų118136 Ų13683%0.82578%0.778SS**  trans-70.6108-176.2-43.10000113.2R398S396-R398 PolarHBondContact O-N 2.91Å
397L24.2Very low29.8Very low166 Ų166141 Ų14187%0.86978%0.78SS**  trans-78107163-90.4163.6000110.1G395 I399G395-L397 PolarHBondContact O-N 3.16Å; L397-I399 PolarHBondContact O-N 3.06Å
398R24.7Very low29.5Very low241 Ų241139.3 Ų139.391%0.90978%0.782SS**  trans-69.5111.6170.6-69.8-176.1177.9-171.5-0.9109.9S396S396-R398 PolarHBondContact O-N 2.91Å
399I24.1Very low29.3Very low162 Ų162137.4 Ų137.483%0.83178%0.781SS**  trans-98.197.7164.7-59.1178.3000107.8L397 S401L397-I399 PolarHBondContact O-N 3.06Å; I399-S401 PolarHBondContact O-N 3.36Å
400S25.2Very low28.6Very low108 Ų108137 Ų13776%0.75579%0.793SS**  trans-81.4112.1170.354.70000110.1S402S400-S402 PolarHBondContact O-N 3.42Å
401S25.1Very low28Very low113 Ų113139.5 Ų139.579%0.7981%0.805SS**  trans-68.5120.5170.453.40000111.3I399I399-S401 PolarHBondContact O-N 3.36Å
402S25.6Very low27.4Very low117 Ų117141.6 Ų141.682%0.81883%0.827SS**  trans-152.7114.9164-75.60000110.6S400S400-S402 PolarHBondContact O-N 3.42Å
403L24.6Very low26.7Very low172 Ų172139 Ų13990%0.90183%0.829SS**  trans-98.2113.3177.4-80.2157.3000110.2
404V26.8Very low26.5Very low146 Ų146136.9 Ų136.989%0.88583%0.83SS**  trans-159.6164.9144.6-109.40000109.1
405P29.4Very low26.7Very low115 Ų115136.5 Ų136.575%0.74784%0.835SS**  trans-106.9172.9-130.936.8-25.4000115
406M23.5Very low26.8Very low186 Ų186138 Ų13892%0.91683%0.833SS**  trans-61.2135.3178.3-60.4-167.27700112.8
407H26.3Very low26.8Very low188 Ų188136.2 Ų136.287%0.8783%0.833SS**  trans-114.2135.2155.8-113.7-80.4000109.8
408Q26.6Very low27Very low198 Ų198133.1 Ų133.193%0.92582%0.824SS**  trans-73138.3177.1-68.5171.5-18.900110.8
409G25.9Very low27.2Very low79 Ų79127.5 Ų127.581%0.81482%0.821SS**  trans-159.4109171.900000110.1
410S24.4Very low27.4Very low110 Ų110124.7 Ų124.777%0.76982%0.816SS**  trans-95.8140.6174.8-179.80000109.6
411L28Very low27.7Very low165 Ų165125.4 Ų125.486%0.86482%0.82SS**  165.7161.8122.9-90.2163.1000114.4
412A27.8Very low27.8Very low99 Ų99125.6 Ų125.682%0.81882%0.82SS**  trans80107.9155.900000119.2
413A27.1Very low28Very low110 Ų110127.2 Ų127.291%0.90982%0.819SS**  trans-86.7152158.600000110.9
414G30.2Very low28.3Very low71 Ų71125.1 Ų125.173%0.73281%0.809SS**  trans-176.9146.8175.800000110.7
415P38.8Very low28.6Very low128 Ų128125.2 Ų125.283%0.83180%0.803SS**  -110.3155.8-117.937.1-35.4000117.4
416C27.4Very low28.6Very low105 Ų105123.1 Ų123.171%0.70980%0.803SS**  trans-28.7133.3149.1172.80000115C418C416-C418 PolarHBondContact SG-SG 3.17Å
417G27.2Very low29Very low81 Ų81119 Ų11984%0.83579%0.792SS**  trans-112.5103.3161.400000110.8
418C27.6Very low29.2Very low101 Ų101120 Ų12068%0.68279%0.794SS**  trans-83.4141.1169.2-68.20000111C416C416-C418 PolarHBondContact SG-SG 3.17Å
419C29.2Very low29.3Very low124 Ų124113.8 Ų113.884%0.83878%0.783SS**  -177.9124.3128.3-96.60000108.2
420S29.3Very low29.5Very low103 Ų103120 Ų12072%0.7279%0.788SS**  cis98.297.439.7-71.10000112.8
421S31Very low29.7Very low122 Ų122119.7 Ų119.785%0.85379%0.786SS**  trans-152.691.5150.6590000109.5
422C27.8Very low29.7Very low117 Ų117116.3 Ų116.379%0.79178%0.776SS**  trans-90.3-172.2174.7-650000111.7
423L29.7Very low29.8Very low152 Ų152121.8 Ų121.880%0.79678%0.777SS**  trans91.7133.3-179.8-50.5159000112.3
424N30.9Very low29.7Very low128 Ų128122.6 Ų122.668%0.68477%0.774SS**  cis-168.7166.4-4.8-110.6-6.2000108
425I32.6Very low29.7Very low147 Ų147124.8 Ų124.875%0.75478%0.778SS**  cis-156148.40.5-134.9161.8000110.5
426G29.5Very low29.3Very low72 Ų72127.4 Ų127.474%0.74278%0.779SS**  trans72153.6149.900000121.3
427S31.1Very low29.6Very low99 Ų99128.2 Ų128.269%0.69278%0.783SS**  cis-167.5151.2-11.168.40000112.8
428K31.6Very low29.7Very low208 Ų208130.5 Ų130.590%0.90478%0.781SS**  trans66.4132.7163.1-54.9167.7-174.8174.80117.5
429G28.8Very low29.6Very low69 Ų69134 Ų13471%0.71179%0.792SS**  cis153.7142.3-11.200000113.9
430K28.9Very low29.6Very low210 Ų210135.6 Ų135.691%0.91379%0.791SS**  trans70.5144.1171.5-55.1-179.8179.8-1770116.4
431S29.5Very low29.6Very low103 Ų103140 Ų14072%0.7280%0.797SS**  cis-161.2149.7-14.446.30000111.5
432S28.1Very low29.5Very low93 Ų93144.1 Ų144.165%0.6580%0.799SS**  trans-19.6142.8160.454.40000118.7
433Y29.4Very low29.5Very low215 Ų215143.4 Ų143.484%0.84380%0.802SS**  -161.2141.6100.3-104.7-76.1000111.3
434C24.4Very low29.7Very low126 Ų126144.3 Ų144.385%0.85181%0.808SS**  trans-110.4142.1166.1-72.60000108.6
435S31.1Very low29.6Very low117 Ų117147.5 Ų147.582%0.81882%0.816SS**  trans-144.6128.1168.4-60.20000109.7
436E30.3Very low29.7Very low183 Ų183150.6 Ų150.686%0.85582%0.824SS**PPolyproline II helixtrans-74.2165.9175.4-94-17612600113.4
437P33Very low29.8Very low122 Ų122154.4 Ų154.479%0.79282%0.822SS**PPolyproline II helixtrans-87.2135.7-174.434-34.2000113.7
438T29.4Very low29.9Very low130 Ų130157.8 Ų157.880%0.79883%0.833SS**PPolyproline II helixtrans-99.7119.3175.7-44.30000112.2
439L27.1Very low29.8Very low174 Ų174155.9 Ų155.991%0.91183%0.825SS**PPolyproline II helixtrans-73.3128.4169.2-81.3161.5000111.6
440I28.3Very low30Very low157 Ų157161.7 Ų161.781%0.80583%0.83SS**  trans-131.3132.1162.8-62.6-177.1000109.8
441K28.5Very low30.2Very low196 Ų196156.9 Ų156.985%0.85282%0.823SS**  trans-92.9135.5-179.6-77.1176.2175.8171.40112.4
442K29.5Very low30.2Very low208 Ų208160.7 Ų160.790%0.90483%0.83SS**  trans46125.9147.9-67.9-173.2174.5-176.40120.6
443A28.3Very low30.3Very low103 Ų103162.2 Ų162.285%0.85183%0.834SS**  trans-149.6141131.700000111.4
444N33.1Very low30.1Very low171 Ų171160.8 Ų160.891%0.91484%0.838SS**  trans-73.4137.6175.6-91.9-40.3000111.7
445K29.8Very low30.5Very low194 Ų194160.4 Ų160.484%0.84383%0.831SS**  trans-152.8123.4153.3-115.8171.7-175.5176.80111.5
446K34Very low30.4Very low212 Ų212160.7 Ų160.792%0.92283%0.831SS**  trans-68.6128.5166.5-72178.8174.7179.50108.7
447Q31.4Very low30.6Very low153 Ų153158.3 Ų158.372%0.71583%0.828SS**  trans-137.7122.6160.2-74-168.4-37.800109.8F449Q447-F449 HydrophobicContact CB-CD2 4.36Å
448N33.9Very low30.5Very low170 Ų170162.4 Ų162.491%0.90983%0.833SS**  trans-73.2123.4165.5-71.6-22000107.8
449F28.9Very low30.7Very low168 Ų168161 Ų16174%0.73784%0.836SS**  trans-122125.2163.8-100.2-89000109.6Q447Q447-F449 HydrophobicContact CB-CD2 4.36Å
450K34.1Very low31Very low190 Ų190158.4 Ų158.483%0.82683%0.832SS**  trans-73.7127.5161.7-74.1-178.3173.4-176.10107.4
451S31.2Very low31.1Very low110 Ų110154.2 Ų154.277%0.76983%0.827SS**  trans-96.793.6171.5-55.20000109.3
452E31.2Very low31.2Very low183 Ų183150.6 Ų150.686%0.85583%0.827SS**  trans-80.2123.6161.7-73.9-178.916900108.5
453V29.8Very low31.3Very low124 Ų124145.6 Ų145.675%0.75282%0.818SS**  trans-105.6113.2177177.80000108.6
454M25.5Very low31.5Very low186 Ų186149.1 Ų149.192%0.91682%0.816SS**  trans-71.3126.8169.7-83.2171.151.200110.5
455V32.5Very low31.3Very low117 Ų117146.3 Ų146.371%0.70981%0.809SS**  trans-104.6128.6169-178.20000108.7V457V455-V457 PolarHBondContact O-N 3.24Å
456P29.7Very low31.3Very low124 Ų124148.9 Ų148.981%0.80581%0.813SS**  trans-76.7115.4177.429.7-32.6000111.1
457V33.1Very low31.3Very low133 Ų133143.9 Ų143.981%0.80681%0.811SS**PPolyproline II helixtrans-86.5120.4173.7178.70000109.8V455V455-V457 PolarHBondContact O-N 3.24Å
458K31.5Very low31.1Very low207 Ų207140.3 Ų140.390%0.982%0.816SS**PPolyproline II helixtrans-76.7124.2163.5-84.9-174.5174.6179.70109.2
459A32.6Very low31Very low102 Ų102141.6 Ų141.684%0.84382%0.816SS**PPolyproline II helixtrans-87.3137177.900000112.1
460S34.5Very low31Very low119 Ų119140.3 Ų140.383%0.83282%0.822SS**  trans-140.6132.8157.954.10000107.7
461G31Very low30.7Very low69 Ų69134.8 Ų134.871%0.71182%0.819SS**  trans-83.9169.9-153.800000118.1
462S30.3Very low30.4Very low120 Ų120135.5 Ų135.584%0.83982%0.819SS**  trans62.4136.7162.856.40000118.7
463S32.1Very low30.1Very low103 Ų103132.2 Ų132.272%0.7282%0.815SS**  cis-168.7155.1-6.1410000112
464H31.7Very low29.8Very low176 Ų176132.3 Ų132.382%0.81581%0.811SS**  trans81.893.8158.4-74.324.2000121.5
465C29.1Very low30Very low113 Ų113131.2 Ų131.276%0.76481%0.807SS**  53.9106.8120.6-56.60000121.9
466R29.3Very low29.9Very low247 Ų247135.4 Ų135.493%0.93282%0.821SS**  -17815295.7-97.1179.7178.7-167.9-0.1113.3
467A33.1Very low29.9Very low107 Ų107136 Ų13688%0.88482%0.822SS**  trans-13.1119.1177.200000119.2
468G28.9Very low29.7Very low78 Ų78136.1 Ų136.180%0.80482%0.823SS**  trans-102127.6165.800000112.2
469Q31.5Very low29.6Very low197 Ų197132.2 Ų132.292%0.92182%0.818SS**  trans-77.3138.8161.9-76.8177.6-31.200109.5G471Q469-G471 PolarHBondContact O-N 3.48Å
470T29Very low29.5Very low141 Ų141133.9 Ų133.987%0.86582%0.817SS**  trans-74.691.3176.948.60000111
471G26.8Very low29.2Very low74 Ų74134.9 Ų134.976%0.76382%0.816SS**  trans-80112.7168.900000111.1Q469 C473Q469-G471 PolarHBondContact O-N 3.48Å; G471-C473 PolarHBondContact O-N 3.43Å
472V26.2Very low29Very low125 Ų125139.3 Ų139.376%0.75882%0.823SS**  trans-74.8115.4170.5-178.70000108.4L474V472-L474 HydrophobicContact CG1-CD1 4.06Å; V472-L474 PolarHBondContact O-N 3.41Å
473C23.8Very low28.9Very low115 Ų115140.6 Ų140.678%0.77782%0.822SS**  trans-82.8100.1172.2-165.90000108.9G471G471-C473 PolarHBondContact O-N 3.43Å
474L24Very low28.7Very low126 Ų126143.5 Ų143.566%0.6683%0.829SS**  trans-74.3122.1162.8-104.285.2000108.3V472 M476V472-L474 HydrophobicContact CG1-CD1 4.06Å; V472-L474 PolarHBondContact O-N 3.41Å; L474-M476 HydrophobicContact CD2-CE 4.35Å
475I28.8Very low28.5Very low163 Ų163140.8 Ų140.884%0.83683%0.831SS**  trans-84.4122.8160.7-59.1174000106.4
476M31.1Very low28.4Very low204 Ų204143.4 Ų143.4100%1.00584%0.837SS**  trans-136.50165.8-77.3-164.5-69.600108.2L474L474-M476 HydrophobicContact CD2-CE 4.35Å

Retrieved 476 of 476 residues in 186.3 ms (Link to these results)

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