A0A5K4EZF7_SCHMA Loading...

Sidoreflexin

AlphaFold DB , UniProt , Accession A0A5K4EZF7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 329 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
1M29.6Very low48.1Very low238 Ų238100.5 Ų100.5100%1.17260%0.604SS**  0128.50-72.7177.917500107.2S3M1-S3 PolarHBondContact O-N 3.23Å
2P36.6Very low48.6Very low128 Ų128105.7 Ų105.783%0.83161%0.613SS**PPolyproline II helixtrans-65.7136.4-17910.7-0.3000109S4P2-S4 PolarHBondContact O-N 3.05Å
3S44.1Very low50.2Low101 Ų101105.5 Ų105.571%0.70662%0.621SS**PPolyproline II helixtrans-46118.8175.347.70000110.1M1M1-S3 PolarHBondContact O-N 3.23Å
4S41.7Very low52.4Low92 Ų92100.1 Ų100.164%0.64359%0.59SS**PPolyproline II helixtrans-48.4127.5171.3-174.80000108.7P2 S6P2-S4 PolarHBondContact O-N 3.05Å; S4-S6 PolarHBondContact O-N 2.9Å
5P45.9Very low54.5Low93 Ų9398.1 Ų98.160%0.60458%0.575SS**PPolyproline II helixtrans-51.9131.2173.4-21.331000108.5E7P5-E7 PolarHBondContact O-N 3.14Å
6S53.4Low56.5Low17 Ų1792.4 Ų92.412%0.11954%0.541CS..  trans-45.8114.3-174.443.50000110.5S4 L8 V9 L68S4-S6 PolarHBondContact O-N 2.9Å; S6-L8 PolarHBondContact O-N 2.91Å; S6-V9 PolarHBondContact O-N 2.84Å; S6-V9 WeakPolarHBondContact OG-CG2 3.45Å; S6-L68 VanDerWaalsContact CB-O 3.26Å; S6-L68 WeakPolarHBondContact CB-O 3.38Å
7E56.7Low58.1Low112 Ų11293.4 Ų93.452%0.52354%0.54SS..THydrogen-bonded Turntrans-49.8-24.7177.2-67.1-176.7146.800112.6P5 V9 H10 V70P5-E7 PolarHBondContact O-N 3.14Å; E7-V9 VanDerWaalsContact C-N 3.32Å; E7-V9 PolarHBondContact O-N 3.32Å; E7-H10 PolarHBondContact O-N 2.97Å; E7-V70 HydrophobicContact CB-CG2 4.23Å
8L60.9Low59.5Low9 Ų995.9 Ų95.95%0.04754%0.543CS..THydrogen-bonded Turntrans-65-26.4176.5-62171.2000114.1S6 V14 Y59 I64 L68 V70 L73S6-L8 PolarHBondContact O-N 2.91Å; L8-V14 HydrophobicContact CD2-CB 4.33Å; L8-V14 HydrophobicContact CD2-CG2 3.86Å; L8-Y59 HydrophobicContact CD1-CD2 4.47Å; L8-Y59 HydrophobicContact CD1-CE2 4.07Å; L8-Y59 HydrophobicContact CD2-CE2 3.94Å; L8-Y59 HydrophobicContact CG-CE2 4.45Å; L8-I64 HydrophobicContact CB-CD1 3.98Å; L8-I64 HydrophobicContact CB-CG2 4.2Å; L8-I64 HydrophobicContact CD1-CG2 4.35Å; L8-L68 HydrophobicContact CD1-CB 4.38Å; L8-L68 HydrophobicContact CD1-CD2 3.88Å; L8-L68 HydrophobicContact CD1-CG 3.88Å; L8-V70 HydrophobicContact CD2-CG2 3.82Å; L8-V70 HydrophobicContact CG-CG2 4.16Å; L8-L73 HydrophobicContact CD1-CD2 4.09Å; L8-L73 HydrophobicContact CD2-CD2 4.03Å
9V56Low60.8Low94 Ų9493.9 Ų93.957%0.5753%0.534SS*.THydrogen-bonded Turntrans-79.5-27.3179.2174.40000111.5S6 E7 G11 I64S6-V9 PolarHBondContact O-N 2.84Å; S6-V9 WeakPolarHBondContact OG-CG2 3.45Å; E7-V9 VanDerWaalsContact C-N 3.32Å; E7-V9 PolarHBondContact O-N 3.32Å; V9-G11 PolarHBondContact O-N 3.23Å; V9-G11 VanDerWaalsContact O-N 3.15Å; V9-I64 HydrophobicContact CG2-CD1 4.23Å; V9-I64 HydrophobicContact CG2-CG2 4.39Å
10H51.8Low62Low150 Ų15094 Ų9469%0.69453%0.526SS*.THydrogen-bonded Turntrans-87.533.5-176.6-74.3-64000114.3E7 K12E7-H10 PolarHBondContact O-N 2.97Å; H10-K12 PolarHBondContact O-N 3.49Å
11G52.1Low63.2Low71 Ų7192.3 Ų92.373%0.73251%0.512SS*.THydrogen-bonded Turntrans85.31.6165.500000116.4V9 S13V9-G11 PolarHBondContact O-N 3.23Å; V9-G11 VanDerWaalsContact O-N 3.15Å; G11-S13 VanDerWaalsContact C-N 3.33Å; G11-S13 PolarHBondContact O-N 3.25Å
12K54.8Low65.8Low163 Ų16385.1 Ų85.171%0.70948%0.478SS*.  trans-87.876.1163.8-72.5-174.7-178.2175.90109.3H10 V14H10-K12 PolarHBondContact O-N 3.49Å; K12-V14 PolarHBondContact O-N 2.81Å
13S68.8Low68.1Low103 Ų10380.8 Ų80.872%0.7245%0.446SS*.  trans-62.2108166.5-174.90000107.9G11 D15G11-S13 VanDerWaalsContact C-N 3.33Å; G11-S13 PolarHBondContact O-N 3.25Å; S13-D15 PolarHBondContact O-N 3.18Å
14V81.3Confident70.1Confident30 Ų3080.3 Ų80.318%0.18244%0.443CS..  trans-75.7118.3173.3177.50000107.1L8 K12 I16 Y59 V70 L73 W74L8-V14 HydrophobicContact CD2-CB 4.33Å; L8-V14 HydrophobicContact CD2-CG2 3.86Å; K12-V14 PolarHBondContact O-N 2.81Å; V14-I16 HydrophobicContact CG1-CG2 4.2Å; V14-I16 PolarHBondContact O-N 2.9Å; V14-I16 VanDerWaalsContact O-N 3.11Å; V14-Y59 WeakPolarHBondContact CA-OH 3.3Å; V14-Y59 PolarHBondContact N-OH 3.02Å; V14-Y59 VanDerWaalsContact O-CE1 3.28Å; V14-Y59 WeakPolarHBondContact O-CE1 3.42Å; V14-Y59 PolarHBondContact O-OH 3.36Å; V14-V70 HydrophobicContact CG2-CG1 4.07Å; V14-V70 HydrophobicContact CG2-CG2 4.18Å; V14-L73 HydrophobicContact CB-CD2 4.48Å; V14-W74 HydrophobicContact CG1-CH2 4.47Å; V14-W74 HydrophobicContact CG1-CZ2 3.55Å
15D84.4Confident72.3Confident70 Ų7079.1 Ų79.137%0.37443%0.432SS..  trans-74.897.9172.6-176.7-4000109.2S13 E17 K18S13-D15 PolarHBondContact O-N 3.18Å; D15-E17 PolarHBondContact O-N 3.33Å; D15-E17 WeakPolarHBondContact OD1-CB 3.49Å; D15-E17 PolarHBondContact OD1-N 3Å; D15-K18 PolarHBondContact O-N 3.33Å; D15-K18 WeakPolarHBondContact OD2-CD 3.28Å; D15-K18 WeakPolarHBondContact OD2-CE 3.28Å; D15-K18 WeakPolarHBondContact OD2-CG 3.2Å; D15-K18 IonicContact OD2-NZ 2.72Å; D15-K18 PolarHBondContact OD2-NZ 2.9Å
16I85.9Confident74.4Confident7 Ų779.4 Ų79.44%0.03642%0.422CS..THydrogen-bonded Turntrans-77.9-7.4-179.661.2164000113.2V14 K18 V56 Y59 R60 L73 K77V14-I16 HydrophobicContact CG1-CG2 4.2Å; V14-I16 PolarHBondContact O-N 2.9Å; V14-I16 VanDerWaalsContact O-N 3.11Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-V56 HydrophobicContact CD1-CG1 4.07Å; I16-Y59 HydrophobicContact CD1-CD1 3.65Å; I16-Y59 HydrophobicContact CD1-CE1 4.25Å; I16-Y59 HydrophobicContact CG1-CD1 3.97Å; I16-Y59 HydrophobicContact CG1-CE1 4.07Å; I16-Y59 HydrophobicContact CG2-CD1 4.17Å; I16-Y59 HydrophobicContact CG2-CE1 3.85Å; I16-R60 HydrophobicContact CD1-CG 4.1Å; I16-L73 HydrophobicContact CG2-CD1 4.24Å; I16-L73 HydrophobicContact CG2-CD2 3.72Å; I16-L73 HydrophobicContact CG2-CG 3.89Å; I16-K77 HydrophobicContact CB-CG 4.5Å; I16-K77 HydrophobicContact CD1-CD 4.32Å; I16-K77 WeakPolarHBondContact O-CE 3.26Å
17E83.8Confident76.3Confident110 Ų11084 Ų8451%0.51444%0.444SS..THydrogen-bonded Turntrans-81.5-14.3174.5-55.9-51.3143.800111.6D15 R60D15-E17 PolarHBondContact O-N 3.33Å; D15-E17 WeakPolarHBondContact OD1-CB 3.49Å; D15-E17 PolarHBondContact OD1-N 3Å; E17-R60 IonicContact OE1-CZ 2.89Å; E17-R60 IonicContact OE1-NE 3.03Å; E17-R60 PolarHBondContact OE1-NE 3.45Å; E17-R60 IonicContact OE1-NH2 2.72Å; E17-R60 PolarHBondContact OE1-NH2 2.94Å; E17-R60 IonicContact OE2-NH2 3.77Å; E17-R60 PolarHBondContact OE2-NH2 2.97Å
18K83.5Confident77.9Confident139 Ų13979 Ų7960%0.60442%0.422SS*.SBendtrans-94.5150.1171.2-70.2177.1-173.6156.90111.4D15 I16 R20 W74D15-K18 PolarHBondContact O-N 3.33Å; D15-K18 WeakPolarHBondContact OD2-CD 3.28Å; D15-K18 WeakPolarHBondContact OD2-CE 3.28Å; D15-K18 WeakPolarHBondContact OD2-CG 3.2Å; D15-K18 IonicContact OD2-NZ 2.72Å; D15-K18 PolarHBondContact OD2-NZ 2.9Å; I16-K18 VanDerWaalsContact C-N 3.27Å; K18-R20 PolarHBondContact O-N 3.34Å; K18-W74 WeakPolarHBondContact O-CH2 3.35Å
19P83.3Confident79.3Confident57 Ų5779.4 Ų79.437%0.3742%0.423SS..  trans-58.9134.4173.8-25.836.5000111.8Y21 Q23P19-Y21 PolarHBondContact O-N 3.31Å; P19-Q23 HydrophobicContact CB-CG 3.81Å; P19-Q23 HydrophobicContact CG-CG 3.72Å
20R85.4Confident80.8Confident95 Ų9575.3 Ų75.336%0.35840%0.399SS..SBendtrans-52.4-39.1176.5-179.1177.8176.9175.21.6113.8K18 W74K18-R20 PolarHBondContact O-N 3.34Å; R20-W74 HydrophobicContact CB-CD2 3.78Å; R20-W74 HydrophobicContact CB-CE3 3.71Å; R20-W74 HydrophobicContact CB-CH2 3.72Å; R20-W74 HydrophobicContact CB-CZ2 3.75Å; R20-W74 HydrophobicContact CB-CZ3 3.69Å; R20-W74 HydrophobicContact CG-CD2 3.79Å; R20-W74 HydrophobicContact CG-CE3 4.25Å; R20-W74 HydrophobicContact CG-CG 4.16Å; R20-W74 HydrophobicContact CG-CH2 4.46Å; R20-W74 HydrophobicContact CG-CZ2 4Å
21Y86.8Confident82.7Confident60 Ų6073.3 Ų73.324%0.23539%0.388CS..SBendtrans-104.2144.2-176.1-59.6-79.3000109.8P19 Q23 G28 K31 I35P19-Y21 PolarHBondContact O-N 3.31Å; Y21-Q23 PolarHBondContact O-N 3.07Å; Y21-Q23 PolarHBondContact O-NE2 3.15Å; Y21-G28 WeakPolarHBondContact CB-O 3.46Å; Y21-K31 HydrophobicContact CD1-CB 4.11Å; Y21-K31 HydrophobicContact CD1-CD 3.82Å; Y21-K31 HydrophobicContact CD2-CB 3.89Å; Y21-K31 HydrophobicContact CE1-CB 4.29Å; Y21-K31 HydrophobicContact CE1-CD 3.78Å; Y21-K31 HydrophobicContact CE2-CB 4.1Å; Y21-K31 HydrophobicContact CG-CB 3.89Å; Y21-K31 HydrophobicContact CG-CD 4.43Å; Y21-I35 HydrophobicContact CD2-CD1 4.35Å; Y21-I35 HydrophobicContact CE2-CD1 3.39Å
22D84.6Confident84.4Confident86 Ų8671.7 Ų71.746%0.4636%0.362SS..  trans-55.2121.5177170.232000111.7S24 T25 G28D22-S24 VanDerWaalsContact C-N 3.33Å; D22-S24 VanDerWaalsContact CG-OG 3.25Å; D22-S24 VanDerWaalsContact OD1-CB 3.27Å; D22-S24 WeakPolarHBondContact OD1-CB 3.41Å; D22-S24 PolarHBondContact OD1-N 2.95Å; D22-S24 PolarHBondContact OD1-OG 3.12Å; D22-S24 VanDerWaalsContact OD1-OG 3.04Å; D22-S24 PolarHBondContact OD2-OG 3.37Å; D22-T25 PolarHBondContact O-OG1 2.83Å; D22-T25 VanDerWaalsContact OD2-CG2 3.22Å; D22-T25 WeakPolarHBondContact OD2-CG2 3.18Å; D22-T25 PolarHBondContact OD2-N 3.43Å; D22-T25 PolarHBondContact OD2-OG1 3.09Å; D22-G28 CarbonylContact O-C 3.57Å; D22-G28 VanDerWaalsContact O-CA 3.23Å; D22-G28 WeakPolarHBondContact O-CA 3.35Å
23Q85.9Confident85.9Confident37 Ų3764.1 Ų64.117%0.17333%0.329CS..SBendtrans-83.2-9.6-179.6-61.7-57.6-65.300113.1P19 Y21 R29P19-Q23 HydrophobicContact CB-CG 3.81Å; P19-Q23 HydrophobicContact CG-CG 3.72Å; Y21-Q23 PolarHBondContact O-N 3.07Å; Y21-Q23 PolarHBondContact O-NE2 3.15Å; Q23-R29 HydrophobicContact CB-CG 4.36Å; Q23-R29 VanDerWaalsContact O-CD 3.28Å; Q23-R29 WeakPolarHBondContact O-CD 3.39Å; Q23-R29 VanDerWaalsContact O-CG 3.26Å; Q23-R29 WeakPolarHBondContact O-CG 3.48Å; Q23-R29 PolarHBondContact O-NH1 3.23Å
24S84.6Confident86.8Confident92 Ų9263 Ų6364%0.64331%0.311SS*.SBendtrans-71.5-33.8177.185.90000111.7D22 R29D22-S24 VanDerWaalsContact C-N 3.33Å; D22-S24 VanDerWaalsContact CG-OG 3.25Å; D22-S24 VanDerWaalsContact OD1-CB 3.27Å; D22-S24 WeakPolarHBondContact OD1-CB 3.41Å; D22-S24 PolarHBondContact OD1-N 2.95Å; D22-S24 PolarHBondContact OD1-OG 3.12Å; D22-S24 VanDerWaalsContact OD1-OG 3.04Å; D22-S24 PolarHBondContact OD2-OG 3.37Å; S24-R29 VanDerWaalsContact C-NH1 3.27Å; S24-R29 PolarHBondContact O-NH1 3.11Å
25T89.3Confident87Confident66 Ų6663.4 Ų63.441%0.40531%0.312SS..SBendtrans-91.9143.7179.761.70000112.3D22 I27 G28 R29D22-T25 PolarHBondContact O-OG1 2.83Å; D22-T25 VanDerWaalsContact OD2-CG2 3.22Å; D22-T25 WeakPolarHBondContact OD2-CG2 3.18Å; D22-T25 PolarHBondContact OD2-N 3.43Å; D22-T25 PolarHBondContact OD2-OG1 3.09Å; T25-I27 VanDerWaalsContact C-N 3.31Å; T25-I27 PolarHBondContact O-N 3.18Å; T25-G28 PolarHBondContact O-N 3.36Å; T25-G28 PolarHBondContact OG1-N 3.33Å; T25-R29 WeakPolarHBondContact O-CG 3.45Å; T25-R29 PolarHBondContact O-N 3.26Å; T25-R29 VanDerWaalsContact O-N 3.1Å; T25-R29 PolarHBondContact O-NH1 3.06Å
26Y89.6Confident86.8Confident99 Ų9961.9 Ų61.939%0.38831%0.305SS..Hα-helixtrans-58.3-43.4175.2175.9-95.9000112.1G28 R29 A30 L287 A290 V291Y26-G28 VanDerWaalsContact C-N 3.34Å; Y26-G28 PolarHBondContact O-N 3.1Å; Y26-R29 PolarHBondContact O-N 3.09Å; Y26-A30 HydrophobicContact CE1-CB 4.43Å; Y26-A30 WeakPolarHBondContact O-CB 3.4Å; Y26-A30 PolarHBondContact O-N 2.85Å; Y26-L287 HydrophobicContact CE1-CD2 4.49Å; Y26-L287 WeakPolarHBondContact OH-CD2 3.38Å; Y26-L287 PolarHBondContact OH-O 3.42Å; Y26-L287 VanDerWaalsContact OH-O 3.06Å; Y26-A290 HydrophobicContact CD2-CB 4.03Å; Y26-A290 VanDerWaalsContact CD2-O 3.3Å; Y26-A290 WeakPolarHBondContact CD2-O 3.32Å; Y26-A290 HydrophobicContact CE2-CB 3.66Å; Y26-V291 HydrophobicContact CE2-CG2 4.37Å
27I92.1Very high86.6Confident114 Ų11461.9 Ų61.959%0.58531%0.306SS*.Hα-helixtrans-63-41.7-179.1-63175000110.8T25 A30 K31T25-I27 VanDerWaalsContact C-N 3.31Å; T25-I27 PolarHBondContact O-N 3.18Å; I27-A30 PolarHBondContact O-N 3Å; I27-K31 HydrophobicContact CG2-CD 4.39Å; I27-K31 WeakPolarHBondContact O-CG 3.49Å; I27-K31 PolarHBondContact O-N 3.03Å
28G90.7Very high86.7Confident6 Ų659 Ų596%0.06229%0.294CS..Hα-helixtrans-66.3-41.2177.800000112.4Y21 D22 T25 Y26 K31 H32Y21-G28 WeakPolarHBondContact CB-O 3.46Å; D22-G28 CarbonylContact O-C 3.57Å; D22-G28 VanDerWaalsContact O-CA 3.23Å; D22-G28 WeakPolarHBondContact O-CA 3.35Å; T25-G28 PolarHBondContact O-N 3.36Å; T25-G28 PolarHBondContact OG1-N 3.33Å; Y26-G28 VanDerWaalsContact C-N 3.34Å; Y26-G28 PolarHBondContact O-N 3.1Å; G28-K31 PolarHBondContact O-N 3.1Å; G28-H32 PolarHBondContact O-N 3.33Å
29R90.2Very high86.7Confident19 Ų1954.1 Ų54.17%0.07228%0.276CS..Hα-helixtrans-61-45.4171.5-66.6-167.8-63.3-85.14.1112.6Q23 S24 T25 Y26 K31 H32 F33 A290Q23-R29 HydrophobicContact CB-CG 4.36Å; Q23-R29 VanDerWaalsContact O-CD 3.28Å; Q23-R29 WeakPolarHBondContact O-CD 3.39Å; Q23-R29 VanDerWaalsContact O-CG 3.26Å; Q23-R29 WeakPolarHBondContact O-CG 3.48Å; Q23-R29 PolarHBondContact O-NH1 3.23Å; S24-R29 VanDerWaalsContact C-NH1 3.27Å; S24-R29 PolarHBondContact O-NH1 3.11Å; T25-R29 WeakPolarHBondContact O-CG 3.45Å; T25-R29 PolarHBondContact O-N 3.26Å; T25-R29 VanDerWaalsContact O-N 3.1Å; T25-R29 PolarHBondContact O-NH1 3.06Å; Y26-R29 PolarHBondContact O-N 3.09Å; R29-K31 PolarHBondContact O-N 3.36Å; R29-H32 WeakPolarHBondContact O-CB 3.29Å; R29-H32 PolarHBondContact O-N 3.22Å; R29-F33 HydrophobicContact CB-CE2 4.39Å; R29-F33 WeakPolarHBondContact O-CD2 3.12Å; R29-F33 PolarHBondContact O-N 3.33Å; R29-A290 HydrophobicContact CB-CB 3.78Å; R29-A290 PolarHBondContact NE-O 3.46Å; R29-A290 PolarHBondContact NH2-O 2.85Å
30A89.1Confident86.8Confident8 Ų856.9 Ų56.97%0.06629%0.287CS..Hα-helixtrans-59.7-48178.300000110.9Y26 I27 H32 F33 F34 L287 A290Y26-A30 HydrophobicContact CE1-CB 4.43Å; Y26-A30 WeakPolarHBondContact O-CB 3.4Å; Y26-A30 PolarHBondContact O-N 2.85Å; I27-A30 PolarHBondContact O-N 3Å; A30-H32 VanDerWaalsContact C-N 3.31Å; A30-H32 PolarHBondContact O-N 2.99Å; A30-F33 PolarHBondContact O-N 3.27Å; A30-F34 WeakPolarHBondContact O-CD2 3.27Å; A30-F34 PolarHBondContact O-N 2.91Å; A30-L287 HydrophobicContact CB-CD2 4.37Å; A30-A290 HydrophobicContact CB-CB 3.93Å
31K89.6Confident86.9Confident107 Ų10752.9 Ų52.947%0.46527%0.273SS..Hα-helixtrans-58-42.7175.6-74.6-179.9180-178.30112.3Y21 I27 G28 R29 I35Y21-K31 HydrophobicContact CD1-CB 4.11Å; Y21-K31 HydrophobicContact CD1-CD 3.82Å; Y21-K31 HydrophobicContact CD2-CB 3.89Å; Y21-K31 HydrophobicContact CE1-CB 4.29Å; Y21-K31 HydrophobicContact CE1-CD 3.78Å; Y21-K31 HydrophobicContact CE2-CB 4.1Å; Y21-K31 HydrophobicContact CG-CB 3.89Å; Y21-K31 HydrophobicContact CG-CD 4.43Å; I27-K31 HydrophobicContact CG2-CD 4.39Å; I27-K31 WeakPolarHBondContact O-CG 3.49Å; I27-K31 PolarHBondContact O-N 3.03Å; G28-K31 PolarHBondContact O-N 3.1Å; R29-K31 PolarHBondContact O-N 3.36Å; K31-I35 WeakPolarHBondContact O-CD1 3.48Å; K31-I35 WeakPolarHBondContact O-CG1 3.22Å; K31-I35 PolarHBondContact O-N 3.49Å
32H88.3Confident86.7Confident38 Ų3850.8 Ų50.818%0.17627%0.268CS..Hα-helixtrans-58.5-52.9174.8173.171.1000111.1G28 R29 A30 F34 I35 T36G28-H32 PolarHBondContact O-N 3.33Å; R29-H32 WeakPolarHBondContact O-CB 3.29Å; R29-H32 PolarHBondContact O-N 3.22Å; A30-H32 VanDerWaalsContact C-N 3.31Å; A30-H32 PolarHBondContact O-N 2.99Å; H32-F34 PolarHBondContact O-N 3.38Å; H32-I35 WeakPolarHBondContact O-CB 3.4Å; H32-I35 PolarHBondContact O-N 2.99Å; H32-T36 PolarHBondContact O-N 3.38Å; H32-T36 PolarHBondContact O-OG1 3.22Å; H32-T36 VanDerWaalsContact O-OG1 3.06Å
33F86.5Confident86.9Confident4 Ų454.6 Ų54.62%0.01828%0.28CS..Hα-helixtrans-67-35.6-178.6-70.6-62.6000113.5R29 A30 I35 T36 T37 P286 C289 A290 L329R29-F33 HydrophobicContact CB-CE2 4.39Å; R29-F33 WeakPolarHBondContact O-CD2 3.12Å; R29-F33 PolarHBondContact O-N 3.33Å; A30-F33 PolarHBondContact O-N 3.27Å; F33-I35 PolarHBondContact O-N 2.89Å; F33-T36 PolarHBondContact O-N 3.25Å; F33-T37 WeakPolarHBondContact O-CB 3.17Å; F33-T37 WeakPolarHBondContact O-CG2 3.35Å; F33-T37 PolarHBondContact O-N 3.29Å; F33-T37 PolarHBondContact O-OG1 2.93Å; F33-P286 HydrophobicContact CB-CB 3.59Å; F33-C289 HydrophobicContact CB-CB 4.34Å; F33-C289 HydrophobicContact CD1-CB 3.83Å; F33-C289 HydrophobicContact CD2-CB 3.6Å; F33-C289 HydrophobicContact CE1-CB 4.01Å; F33-C289 HydrophobicContact CE2-CB 3.79Å; F33-C289 WeakPolarHBondContact CE2-O 3.45Å; F33-C289 HydrophobicContact CG-CB 3.64Å; F33-C289 HydrophobicContact CZ-CB 4.01Å; F33-A290 HydrophobicContact CD2-CB 4.17Å; F33-L329 HydrophobicContact CE1-CD1 3.96Å; F33-L329 HydrophobicContact CE1-CD2 3.45Å; F33-L329 VanDerWaalsContact CE1-CD2 3.45Å; F33-L329 HydrophobicContact CE1-CG 4.36Å; F33-L329 HydrophobicContact CZ-CD2 3.36Å
34F87.8Confident87.1Confident79 Ų7956.3 Ų56.335%0.34629%0.287SS..Hα-helixtrans-57.5-33.2174.9-90.8-67.5000112.6A30 H32 N38 L283 P286 L287A30-F34 WeakPolarHBondContact O-CD2 3.27Å; A30-F34 PolarHBondContact O-N 2.91Å; H32-F34 PolarHBondContact O-N 3.38Å; F34-N38 PolarHBondContact O-N 2.9Å; F34-L283 HydrophobicContact CE1-CD2 4.23Å; F34-L283 HydrophobicContact CZ-CD2 4.44Å; F34-P286 HydrophobicContact CB-CB 4.45Å; F34-P286 HydrophobicContact CD1-CB 4.05Å; F34-P286 HydrophobicContact CD1-CG 3.46Å; F34-P286 VanDerWaalsContact CD1-CG 3.46Å; F34-P286 HydrophobicContact CD2-CB 4.03Å; F34-P286 HydrophobicContact CD2-CG 4.11Å; F34-P286 HydrophobicContact CE1-CB 4.26Å; F34-P286 HydrophobicContact CE1-CG 3.32Å; F34-P286 HydrophobicContact CE2-CB 4.22Å; F34-P286 HydrophobicContact CE2-CG 3.98Å; F34-P286 HydrophobicContact CG-CB 3.92Å; F34-P286 HydrophobicContact CG-CG 3.85Å; F34-P286 HydrophobicContact CZ-CB 4.33Å; F34-P286 HydrophobicContact CZ-CG 3.58Å; F34-L287 HydrophobicContact CE2-CD2 3.97Å; F34-L287 HydrophobicContact CE2-CG 4.3Å; F34-L287 HydrophobicContact CZ-CD2 4.3Å; F34-L287 HydrophobicContact CZ-CG 4.2Å
35I85.7Confident87.5Confident38 Ų3855.1 Ų55.120%0.19528%0.276CS..Hα-helixtrans-79.2-47.5177.6-71.3165.5000110.6Y21 K31 H32 F33 T37 N38 N78Y21-I35 HydrophobicContact CD2-CD1 4.35Å; Y21-I35 HydrophobicContact CE2-CD1 3.39Å; K31-I35 WeakPolarHBondContact O-CD1 3.48Å; K31-I35 WeakPolarHBondContact O-CG1 3.22Å; K31-I35 PolarHBondContact O-N 3.49Å; H32-I35 WeakPolarHBondContact O-CB 3.4Å; H32-I35 PolarHBondContact O-N 2.99Å; F33-I35 PolarHBondContact O-N 2.89Å; I35-T37 VanDerWaalsContact C-N 3.31Å; I35-T37 PolarHBondContact O-N 2.92Å; I35-N38 VanDerWaalsContact O-CB 3.28Å; I35-N38 WeakPolarHBondContact O-CB 3.31Å; I35-N38 PolarHBondContact O-N 3.27Å; I35-N78 HydrophobicContact CG2-CB 3.66Å; I35-N78 VanDerWaalsContact CG2-ND2 3.25Å; I35-N78 WeakPolarHBondContact CG2-ND2 3.24Å; I35-N78 WeakPolarHBondContact CG2-OD1 3.39Å
36T80.3Confident87.5Confident39 Ų3956.5 Ų56.524%0.23929%0.286CS..Hα-helixtrans-62.2-39-179-54.90000111.9H32 F33H32-T36 PolarHBondContact O-N 3.38Å; H32-T36 PolarHBondContact O-OG1 3.22Å; H32-T36 VanDerWaalsContact O-OG1 3.06Å; F33-T36 PolarHBondContact O-N 3.25Å
37T81.1Confident87.7Confident7 Ų755.2 Ų55.24%0.04330%0.297CS..THydrogen-bonded Turntrans-95.814.6-179.171.40000113F33 I35 P39 T285F33-T37 WeakPolarHBondContact O-CB 3.17Å; F33-T37 WeakPolarHBondContact O-CG2 3.35Å; F33-T37 PolarHBondContact O-N 3.29Å; F33-T37 PolarHBondContact O-OG1 2.93Å; I35-T37 VanDerWaalsContact C-N 3.31Å; I35-T37 PolarHBondContact O-N 2.92Å; T37-P39 VanDerWaalsContact O-CD 3.22Å; T37-P39 WeakPolarHBondContact O-CD 3.24Å; T37-P39 VanDerWaalsContact O-N 3.11Å; T37-T285 HydrophobicContact CG2-CG2 4.19Å
38N86.5Confident87.8Confident50 Ų5052.9 Ų52.927%0.26728%0.283SS..  trans-62.8113.6-178.6-177.7-5000110.3F34 I35 L40 N41F34-N38 PolarHBondContact O-N 2.9Å; I35-N38 VanDerWaalsContact O-CB 3.28Å; I35-N38 WeakPolarHBondContact O-CB 3.31Å; I35-N38 PolarHBondContact O-N 3.27Å; N38-L40 PolarHBondContact O-N 3.41Å; N38-L40 VanDerWaalsContact OD1-CB 3.29Å; N38-L40 WeakPolarHBondContact OD1-CB 3.41Å; N38-L40 WeakPolarHBondContact OD1-CG 3.4Å; N38-L40 PolarHBondContact OD1-N 2.8Å; N38-N41 WeakPolarHBondContact O-CB 3.41Å; N38-N41 PolarHBondContact O-N 2.97Å; N38-N41 VanDerWaalsContact O-N 3.17Å
39P82.6Confident87.9Confident35 Ų3552.7 Ų52.723%0.22728%0.281CS..G310 helixtrans-66.7-21.3-176.928.1-35.6000112.6T37 N41 A42 P103T37-P39 VanDerWaalsContact O-CD 3.22Å; T37-P39 WeakPolarHBondContact O-CD 3.24Å; T37-P39 VanDerWaalsContact O-N 3.11Å; P39-N41 PolarHBondContact O-N 3.39Å; P39-A42 VanDerWaalsContact O-CB 3.26Å; P39-A42 WeakPolarHBondContact O-CB 3.35Å; P39-A42 PolarHBondContact O-N 3.23Å; P39-P103 HydrophobicContact CB-CG 3.87Å
40L86.9Confident88Confident115 Ų11556 Ų5660%0.60230%0.297SS*.G310 helixtrans-63.5-24.9177.8-59.6178.6000112.3N38 A42 F43N38-L40 PolarHBondContact O-N 3.41Å; N38-L40 VanDerWaalsContact OD1-CB 3.29Å; N38-L40 WeakPolarHBondContact OD1-CB 3.41Å; N38-L40 WeakPolarHBondContact OD1-CG 3.4Å; N38-L40 PolarHBondContact OD1-N 2.8Å; L40-A42 PolarHBondContact O-N 3.12Å; L40-F43 PolarHBondContact O-N 3.18Å; L40-F43 VanDerWaalsContact O-N 3.1Å
41N85.9Confident88.3Confident12 Ų1260.1 Ų60.16%0.06432%0.315CS..G310 helixtrans-65.6-20.4175.5-70.4-20.3000112.7N38 P39 F43 K44N38-N41 WeakPolarHBondContact O-CB 3.41Å; N38-N41 PolarHBondContact O-N 2.97Å; N38-N41 VanDerWaalsContact O-N 3.17Å; P39-N41 PolarHBondContact O-N 3.39Å; N41-F43 PolarHBondContact O-N 2.91Å; N41-K44 PolarHBondContact O-N 3.19Å
42A84.4Confident88.5Confident15 Ų1555.2 Ų55.212%0.12429%0.294CS..G310 helixtrans-68.8-22.6174.400000112.8P39 L40 L94 F100P39-A42 VanDerWaalsContact O-CB 3.26Å; P39-A42 WeakPolarHBondContact O-CB 3.35Å; P39-A42 PolarHBondContact O-N 3.23Å; L40-A42 PolarHBondContact O-N 3.12Å; A42-L94 HydrophobicContact CB-CD1 4.4Å; A42-F100 HydrophobicContact CB-CD2 4.33Å
43F88.2Confident88.7Confident166 Ų16657.8 Ų57.873%0.72830%0.302SS*.G310 helixtrans-94.64.1-179.2-60.3-75000113.8L40 N41L40-F43 PolarHBondContact O-N 3.18Å; L40-F43 VanDerWaalsContact O-N 3.1Å; N41-F43 PolarHBondContact O-N 2.91Å
44K90.4Very high89.1Confident73 Ų7360.3 Ų60.332%0.31732%0.318SS..  trans-67.2134.3178.7-71-64.6-171.4-173.60111.8N41 E48 L49N41-K44 PolarHBondContact O-N 3.19Å; K44-E48 HydrophobicContact CD-CB 4.27Å; K44-E48 VanDerWaalsContact CD-CD 3.49Å; K44-E48 VanDerWaalsContact CD-OE1 3.28Å; K44-E48 WeakPolarHBondContact CD-OE1 3.37Å; K44-E48 WeakPolarHBondContact CD-OE2 3.25Å; K44-E48 IonicContact NZ-OE1 3.78Å; K44-E48 PolarHBondContact NZ-OE1 3.04Å; K44-L49 HydrophobicContact CB-CD2 3.82Å; K44-L49 HydrophobicContact CB-CG 4.24Å
45T91.4Very high89.3Confident67 Ų6756.8 Ų56.841%0.41130%0.303SS..  trans-70.8156.6-179.863.60000111.3A47 E48 L49T45-A47 PolarHBondContact O-N 3.05Å; T45-E48 PolarHBondContact N-OE2 3.3Å; T45-E48 PolarHBondContact O-N 3.11Å; T45-E48 VanDerWaalsContact OG1-CG 3.3Å; T45-E48 WeakPolarHBondContact OG1-CG 3.35Å; T45-E48 PolarHBondContact OG1-N 2.85Å; T45-E48 PolarHBondContact OG1-OE2 3.07Å; T45-L49 WeakPolarHBondContact O-CG 3.26Å; T45-L49 PolarHBondContact O-N 2.96Å; T45-L49 VanDerWaalsContact O-N 3.1Å
46P90.8Very high89.6Confident95 Ų9555 Ų5562%0.61729%0.294SS*.Hα-helixtrans-53.9-35.8174.6-26.935.6000113.9L49 E50P46-L49 PolarHBondContact O-N 2.86Å; P46-E50 PolarHBondContact O-N 2.95Å
47A93.4Very high90.2Very high73 Ų7358.1 Ų58.160%0.60331%0.305SS*.Hα-helixtrans-66.9-45.6178.300000112.3T45 L49 E50 E51T45-A47 PolarHBondContact O-N 3.05Å; A47-L49 VanDerWaalsContact C-N 3.28Å; A47-L49 PolarHBondContact O-N 3.45Å; A47-E50 PolarHBondContact O-N 2.63Å; A47-E51 WeakPolarHBondContact O-CB 3.26Å; A47-E51 PolarHBondContact O-N 3.35Å
48E93.5Very high90.6Very high64 Ų6459.4 Ų59.430%0.29931%0.312SS..Hα-helixtrans-62.5-36.5176-71.2171.3108.700112.1K44 T45 A52K44-E48 HydrophobicContact CD-CB 4.27Å; K44-E48 VanDerWaalsContact CD-CD 3.49Å; K44-E48 VanDerWaalsContact CD-OE1 3.28Å; K44-E48 WeakPolarHBondContact CD-OE1 3.37Å; K44-E48 WeakPolarHBondContact CD-OE2 3.25Å; K44-E48 IonicContact NZ-OE1 3.78Å; K44-E48 PolarHBondContact NZ-OE1 3.04Å; T45-E48 PolarHBondContact N-OE2 3.3Å; T45-E48 PolarHBondContact O-N 3.11Å; T45-E48 VanDerWaalsContact OG1-CG 3.3Å; T45-E48 WeakPolarHBondContact OG1-CG 3.35Å; T45-E48 PolarHBondContact OG1-N 2.85Å; T45-E48 PolarHBondContact OG1-OE2 3.07Å; E48-A52 WeakPolarHBondContact O-CB 3.22Å; E48-A52 PolarHBondContact O-N 2.68Å
49L93.2Very high90.8Very high3 Ų358.2 Ų58.22%0.01630%0.304CS..Hα-helixtrans-67.1-41.6176.3-64.2-179.3000111.5K44 T45 P46 A47 A52 R53 V79 A83 F84K44-L49 HydrophobicContact CB-CD2 3.82Å; K44-L49 HydrophobicContact CB-CG 4.24Å; T45-L49 WeakPolarHBondContact O-CG 3.26Å; T45-L49 PolarHBondContact O-N 2.96Å; T45-L49 VanDerWaalsContact O-N 3.1Å; P46-L49 PolarHBondContact O-N 2.86Å; A47-L49 VanDerWaalsContact C-N 3.28Å; A47-L49 PolarHBondContact O-N 3.45Å; L49-A52 PolarHBondContact O-N 3.41Å; L49-R53 WeakPolarHBondContact O-CB 3.3Å; L49-R53 PolarHBondContact O-N 2.86Å; L49-V79 HydrophobicContact CD2-CG1 3.59Å; L49-A83 HydrophobicContact CD1-CB 4.03Å; L49-A83 HydrophobicContact CD2-CB 3.6Å; L49-A83 HydrophobicContact CG-CB 4.36Å; L49-F84 HydrophobicContact CB-CE2 4.08Å; L49-F84 HydrophobicContact CB-CZ 4.15Å; L49-F84 WeakPolarHBondContact O-CE2 3.46Å
50E93.1Very high91.2Very high89 Ų8960.9 Ų60.942%0.41631%0.31SS..Hα-helixtrans-71.3-36.1179.5-164.858.6-147.100112.3P46 A47 R53 T54P46-E50 PolarHBondContact O-N 2.95Å; A47-E50 PolarHBondContact O-N 2.63Å; E50-R53 WeakPolarHBondContact O-CB 3.42Å; E50-R53 PolarHBondContact O-N 3.43Å; E50-R53 IonicContact OE1-NH1 3.86Å; E50-R53 IonicContact OE2-NH1 3.22Å; E50-T54 WeakPolarHBondContact O-CB 3.46Å; E50-T54 PolarHBondContact O-N 3.08Å; E50-T54 PolarHBondContact O-OG1 3.42Å
51E94.4Very high91.3Very high93 Ų9360 Ų6044%0.43531%0.305SS..Hα-helixtrans-59.9-49.3171.4-170.4-163.4169.900110.6A47 R53 T54 I55 R72A47-E51 WeakPolarHBondContact O-CB 3.26Å; A47-E51 PolarHBondContact O-N 3.35Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 2.96Å; E51-T54 PolarHBondContact O-N 2.68Å; E51-I55 HydrophobicContact CG-CD1 4.17Å; E51-I55 WeakPolarHBondContact O-CG1 3.08Å; E51-I55 PolarHBondContact O-N 3.41Å; E51-R72 IonicContact OE1-CZ 3.46Å; E51-R72 IonicContact OE1-NH2 3.5Å; E51-R72 PolarHBondContact OE1-NH2 3.17Å; E51-R72 IonicContact OE2-NH2 2.65Å; E51-R72 PolarHBondContact OE2-NH2 3.37Å; E51-R72 VanDerWaalsContact OE2-NH2 3.13Å
52A93.7Very high91.2Very high4 Ų462.4 Ų62.43%0.03333%0.332CS..Hα-helixtrans-59.1-42.6176.900000112E48 L49 I55 V56 A76 V79E48-A52 WeakPolarHBondContact O-CB 3.22Å; E48-A52 PolarHBondContact O-N 2.68Å; L49-A52 PolarHBondContact O-N 3.41Å; A52-I55 PolarHBondContact O-N 2.95Å; A52-V56 WeakPolarHBondContact O-CG2 3.29Å; A52-V56 PolarHBondContact O-N 3.28Å; A52-A76 HydrophobicContact CB-CB 4.34Å; A52-V79 HydrophobicContact CB-CB 3.82Å; A52-V79 HydrophobicContact CB-CG1 3.64Å
53R93.2Very high91.4Very high92 Ų9266 Ų6635%0.34735%0.348SS..Hα-helixtrans-59.7-46174.9-175.9-176-161.9-166.12112L49 E50 E51 V56 H57 Y80 F84 G89L49-R53 WeakPolarHBondContact O-CB 3.3Å; L49-R53 PolarHBondContact O-N 2.86Å; E50-R53 WeakPolarHBondContact O-CB 3.42Å; E50-R53 PolarHBondContact O-N 3.43Å; E50-R53 IonicContact OE1-NH1 3.86Å; E50-R53 IonicContact OE2-NH1 3.22Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 2.96Å; R53-V56 PolarHBondContact O-N 3.2Å; R53-H57 WeakPolarHBondContact O-CB 3.49Å; R53-H57 PolarHBondContact O-N 2.93Å; R53-Y80 HydrophobicContact CB-CD2 4.14Å; R53-Y80 HydrophobicContact CB-CE2 4.42Å; R53-Y80 HydrophobicContact CG-CD2 4.27Å; R53-Y80 HydrophobicContact CG-CE2 4.03Å; R53-F84 HydrophobicContact CB-CE1 4.37Å; R53-F84 HydrophobicContact CB-CE2 3.98Å; R53-F84 HydrophobicContact CB-CZ 3.82Å; R53-F84 HydrophobicContact CG-CE1 4.31Å; R53-F84 HydrophobicContact CG-CZ 4.26Å; R53-G89 PolarHBondContact NH2-O 2.96Å
54T93.6Very high91.2Very high58 Ų5860.9 Ų60.936%0.35633%0.327SS..Hα-helixtrans-64.9-42.7-179.1-60.50000111.1E50 E51 N58E50-T54 WeakPolarHBondContact O-CB 3.46Å; E50-T54 PolarHBondContact O-N 3.08Å; E50-T54 PolarHBondContact O-OG1 3.42Å; E51-T54 PolarHBondContact O-N 2.68Å; T54-N58 WeakPolarHBondContact O-CB 3.38Å; T54-N58 PolarHBondContact O-N 3.45Å; T54-N58 PolarHBondContact O-OD1 3.18Å
55I93.7Very high90.8Very high5 Ų560.2 Ų60.23%0.02633%0.326CS..Hα-helixtrans-60.5-50.3175.9-67.8166.6000111.1E51 A52 Y59 L68 L73 A76E51-I55 HydrophobicContact CG-CD1 4.17Å; E51-I55 WeakPolarHBondContact O-CG1 3.08Å; E51-I55 PolarHBondContact O-N 3.41Å; A52-I55 PolarHBondContact O-N 2.95Å; I55-Y59 VanDerWaalsContact O-CB 3.3Å; I55-Y59 WeakPolarHBondContact O-CB 3.41Å; I55-Y59 PolarHBondContact O-N 3.47Å; I55-L68 HydrophobicContact CG2-CD1 3.82Å; I55-L68 HydrophobicContact CG2-CD2 4.14Å; I55-L73 HydrophobicContact CG2-CD1 4.15Å; I55-A76 HydrophobicContact CB-CB 3.8Å; I55-A76 HydrophobicContact CD1-CB 3.97Å; I55-A76 HydrophobicContact CG1-CB 4.5Å; I55-A76 HydrophobicContact CG2-CB 3.59Å
56V92.2Very high90.5Very high0 Ų063.5 Ų63.50%035%0.348CS..Hα-helixtrans-66-44.3-178.4172.20000111.4I16 A52 R53 Y59 R60 A76 K77 Y80I16-V56 HydrophobicContact CD1-CG1 4.07Å; A52-V56 WeakPolarHBondContact O-CG2 3.29Å; A52-V56 PolarHBondContact O-N 3.28Å; R53-V56 PolarHBondContact O-N 3.2Å; V56-Y59 PolarHBondContact O-N 2.92Å; V56-R60 WeakPolarHBondContact O-CG 3.35Å; V56-R60 PolarHBondContact O-N 3.37Å; V56-A76 HydrophobicContact CG2-CB 4.33Å; V56-K77 HydrophobicContact CG1-CD 4.09Å; V56-K77 HydrophobicContact CG2-CB 4.22Å; V56-K77 HydrophobicContact CG2-CD 4.09Å; V56-Y80 HydrophobicContact CB-CD2 4.41Å; V56-Y80 HydrophobicContact CB-CG 4.23Å; V56-Y80 HydrophobicContact CG1-CD1 4.03Å; V56-Y80 HydrophobicContact CG1-CE1 4.22Å; V56-Y80 HydrophobicContact CG1-CG 4.17Å; V56-Y80 HydrophobicContact CG2-CG 4.13Å
57H91.1Very high90.1Very high104 Ų10461.4 Ų61.448%0.48134%0.343SS..Hα-helixtrans-63.2-50.8178.9-178.772.1000111.5R53 Y59 R60 I61R53-H57 WeakPolarHBondContact O-CB 3.49Å; R53-H57 PolarHBondContact O-N 2.93Å; H57-Y59 VanDerWaalsContact C-N 3.28Å; H57-Y59 PolarHBondContact O-N 3.23Å; H57-R60 WeakPolarHBondContact O-CB 3.34Å; H57-R60 PolarHBondContact O-N 3.45Å; H57-R60 VanDerWaalsContact O-N 3.11Å; H57-I61 WeakPolarHBondContact O-CG1 3.45Å; H57-I61 PolarHBondContact O-N 3.38Å; H57-I61 VanDerWaalsContact O-N 3.11Å
58N91.2Very high89.8Confident35 Ų3558.4 Ų58.419%0.18732%0.317CS..Hα-helixtrans-57.5-43.9178.3-73.91000111T54 R60 I61 G62 I63T54-N58 WeakPolarHBondContact O-CB 3.38Å; T54-N58 PolarHBondContact O-N 3.45Å; T54-N58 PolarHBondContact O-OD1 3.18Å; N58-R60 PolarHBondContact O-N 2.96Å; N58-I61 VanDerWaalsContact O-CG1 3.22Å; N58-I61 WeakPolarHBondContact O-CG1 3.42Å; N58-I61 PolarHBondContact O-N 2.79Å; N58-G62 PolarHBondContact O-N 3.39Å; N58-I63 CarbonylContact C-O 3.57Å; N58-I63 HydrophobicContact CB-CB 4.01Å; N58-I63 HydrophobicContact CB-CG2 4.24Å; N58-I63 WeakPolarHBondContact CB-O 3.45Å; N58-I63 CarbonylContact O-C 3.6Å; N58-I63 WeakPolarHBondContact O-CA 3.27Å; N58-I63 PolarHBondContact O-N 2.79Å
59Y90.9Very high89.6Confident24 Ų2458.4 Ų58.49%0.09432%0.322CS..Hα-helixtrans-62.1-42.4177.3-172.7-94.9000112.6L8 V14 I16 I55 V56 H57 I61 G62 I64 L68 L73L8-Y59 HydrophobicContact CD1-CD2 4.47Å; L8-Y59 HydrophobicContact CD1-CE2 4.07Å; L8-Y59 HydrophobicContact CD2-CE2 3.94Å; L8-Y59 HydrophobicContact CG-CE2 4.45Å; V14-Y59 WeakPolarHBondContact CA-OH 3.3Å; V14-Y59 PolarHBondContact N-OH 3.02Å; V14-Y59 VanDerWaalsContact O-CE1 3.28Å; V14-Y59 WeakPolarHBondContact O-CE1 3.42Å; V14-Y59 PolarHBondContact O-OH 3.36Å; I16-Y59 HydrophobicContact CD1-CD1 3.65Å; I16-Y59 HydrophobicContact CD1-CE1 4.25Å; I16-Y59 HydrophobicContact CG1-CD1 3.97Å; I16-Y59 HydrophobicContact CG1-CE1 4.07Å; I16-Y59 HydrophobicContact CG2-CD1 4.17Å; I16-Y59 HydrophobicContact CG2-CE1 3.85Å; I55-Y59 VanDerWaalsContact O-CB 3.3Å; I55-Y59 WeakPolarHBondContact O-CB 3.41Å; I55-Y59 PolarHBondContact O-N 3.47Å; V56-Y59 PolarHBondContact O-N 2.92Å; H57-Y59 VanDerWaalsContact C-N 3.28Å; H57-Y59 PolarHBondContact O-N 3.23Å; Y59-I61 VanDerWaalsContact C-N 3.3Å; Y59-I61 PolarHBondContact O-N 3Å; Y59-G62 PolarHBondContact O-N 3.45Å; Y59-G62 VanDerWaalsContact O-N 3.08Å; Y59-I64 HydrophobicContact CD2-CG1 4.42Å; Y59-L68 HydrophobicContact CD2-CD2 4.5Å; Y59-L73 HydrophobicContact CD1-CD1 4.06Å; Y59-L73 HydrophobicContact CD1-CD2 4.09Å; Y59-L73 HydrophobicContact CD2-CD1 4.01Å; Y59-L73 HydrophobicContact CD2-CD2 3.76Å; Y59-L73 HydrophobicContact CE1-CD2 3.85Å; Y59-L73 HydrophobicContact CE2-CD2 3.52Å; Y59-L73 HydrophobicContact CG-CD1 3.7Å; Y59-L73 HydrophobicContact CG-CD2 4.03Å
60R89.1Confident89.4Confident92 Ų9259.3 Ų59.335%0.34733%0.327SS..Hα-helixtrans-61.2-35.1176.9-76.8173.4169.5172.1-8113.3I16 E17 V56 H57 N58 G62 Y80I16-R60 HydrophobicContact CD1-CG 4.1Å; E17-R60 IonicContact OE1-CZ 2.89Å; E17-R60 IonicContact OE1-NE 3.03Å; E17-R60 PolarHBondContact OE1-NE 3.45Å; E17-R60 IonicContact OE1-NH2 2.72Å; E17-R60 PolarHBondContact OE1-NH2 2.94Å; E17-R60 IonicContact OE2-NH2 3.77Å; E17-R60 PolarHBondContact OE2-NH2 2.97Å; V56-R60 WeakPolarHBondContact O-CG 3.35Å; V56-R60 PolarHBondContact O-N 3.37Å; H57-R60 WeakPolarHBondContact O-CB 3.34Å; H57-R60 PolarHBondContact O-N 3.45Å; H57-R60 VanDerWaalsContact O-N 3.11Å; N58-R60 PolarHBondContact O-N 2.96Å; R60-G62 VanDerWaalsContact C-N 3.3Å; R60-Y80 PolarHBondContact NH1-OH 3.34Å
61I89Confident89.2Confident97 Ų9759.6 Ų59.650%0.49733%0.328SS..THydrogen-bonded Turntrans-89.17.6177.166.2174.3000113.3H57 N58 Y59 I63H57-I61 WeakPolarHBondContact O-CG1 3.45Å; H57-I61 PolarHBondContact O-N 3.38Å; H57-I61 VanDerWaalsContact O-N 3.11Å; N58-I61 VanDerWaalsContact O-CG1 3.22Å; N58-I61 WeakPolarHBondContact O-CG1 3.42Å; N58-I61 PolarHBondContact O-N 2.79Å; Y59-I61 VanDerWaalsContact C-N 3.3Å; Y59-I61 PolarHBondContact O-N 3Å; I61-I63 HydrophobicContact CD1-CD1 3.61Å; I61-I63 HydrophobicContact CD1-CG1 4.16Å; I61-I63 HydrophobicContact CG1-CB 4.43Å; I61-I63 HydrophobicContact CG1-CD1 4.07Å; I61-I63 HydrophobicContact CG1-CG1 4.03Å
62G85.7Confident89Confident61 Ų6159.4 Ų59.463%0.62932%0.324SS*.THydrogen-bonded Turntrans84.97.8176.400000115.6N58 Y59 R60 I64N58-G62 PolarHBondContact O-N 3.39Å; Y59-G62 PolarHBondContact O-N 3.45Å; Y59-G62 VanDerWaalsContact O-N 3.08Å; R60-G62 VanDerWaalsContact C-N 3.3Å; G62-I64 PolarHBondContact O-N 3.32Å
63I86.6Confident89Confident90 Ų9059.2 Ų59.246%0.46232%0.322SS..  trans-89.8103.9175.7-59178.1000109.4N58 I61N58-I63 CarbonylContact C-O 3.57Å; N58-I63 HydrophobicContact CB-CB 4.01Å; N58-I63 HydrophobicContact CB-CG2 4.24Å; N58-I63 WeakPolarHBondContact CB-O 3.45Å; N58-I63 CarbonylContact O-C 3.6Å; N58-I63 WeakPolarHBondContact O-CA 3.27Å; N58-I63 PolarHBondContact O-N 2.79Å; I61-I63 HydrophobicContact CD1-CD1 3.61Å; I61-I63 HydrophobicContact CD1-CG1 4.16Å; I61-I63 HydrophobicContact CG1-CB 4.43Å; I61-I63 HydrophobicContact CG1-CD1 4.07Å; I61-I63 HydrophobicContact CG1-CG1 4.03Å
64I84.2Confident88.9Confident59 Ų5955.9 Ų55.930%0.30331%0.31SS..PPolyproline II helixtrans-90.2116.3175.1-58170.7000108.9L8 V9 Y59 G62 L68L8-I64 HydrophobicContact CB-CD1 3.98Å; L8-I64 HydrophobicContact CB-CG2 4.2Å; L8-I64 HydrophobicContact CD1-CG2 4.35Å; V9-I64 HydrophobicContact CG2-CD1 4.23Å; V9-I64 HydrophobicContact CG2-CG2 4.39Å; Y59-I64 HydrophobicContact CD2-CG1 4.42Å; G62-I64 PolarHBondContact O-N 3.32Å; I64-L68 HydrophobicContact CG2-CB 4.44Å
65Q83.6Confident88.7Confident60 Ų6057.9 Ų57.928%0.2832%0.315SS..PPolyproline II helixtrans-66.8141.9178.2-61.2179.626.500110.9G67 L68Q65-G67 PolarHBondContact O-N 2.93Å; Q65-L68 HydrophobicContact CB-CB 4.38Å; Q65-L68 VanDerWaalsContact O-CB 3.26Å; Q65-L68 WeakPolarHBondContact O-CB 3.44Å; Q65-L68 PolarHBondContact O-N 3.4Å; Q65-L68 VanDerWaalsContact O-N 3.08Å
66P83.4Confident88.6Confident136 Ų13657.8 Ų57.888%0.88332%0.315SS*.THydrogen-bonded Turntrans-55.5127.6176.9-25.434.2000112L68P66-L68 VanDerWaalsContact C-N 3.3Å; P66-L68 PolarHBondContact O-N 3.3Å
67G83.7Confident88.6Confident50 Ų5058.5 Ų58.552%0.51532%0.318SS..THydrogen-bonded Turntrans78.65.3179.400000115.3Q65 T69Q65-G67 PolarHBondContact O-N 2.93Å; G67-T69 PolarHBondContact O-N 2.86Å
68L87.4Confident88.5Confident10 Ų1055.1 Ų55.15%0.05230%0.303CS..  trans-64.9118.3174.3-175.965.4000110.5S6 L8 I55 Y59 I64 Q65 P66 R72 L73S6-L68 VanDerWaalsContact CB-O 3.26Å; S6-L68 WeakPolarHBondContact CB-O 3.38Å; L8-L68 HydrophobicContact CD1-CB 4.38Å; L8-L68 HydrophobicContact CD1-CD2 3.88Å; L8-L68 HydrophobicContact CD1-CG 3.88Å; I55-L68 HydrophobicContact CG2-CD1 3.82Å; I55-L68 HydrophobicContact CG2-CD2 4.14Å; Y59-L68 HydrophobicContact CD2-CD2 4.5Å; I64-L68 HydrophobicContact CG2-CB 4.44Å; Q65-L68 HydrophobicContact CB-CB 4.38Å; Q65-L68 VanDerWaalsContact O-CB 3.26Å; Q65-L68 WeakPolarHBondContact O-CB 3.44Å; Q65-L68 PolarHBondContact O-N 3.4Å; Q65-L68 VanDerWaalsContact O-N 3.08Å; P66-L68 VanDerWaalsContact C-N 3.3Å; P66-L68 PolarHBondContact O-N 3.3Å; L68-R72 HydrophobicContact CD1-CB 4.01Å; L68-R72 HydrophobicContact CD1-CG 3.85Å; L68-L73 HydrophobicContact CD1-CB 4.41Å; L68-L73 HydrophobicContact CD2-CB 4.46Å; L68-L73 HydrophobicContact CD2-CD1 4.39Å; L68-L73 HydrophobicContact CG-CB 4.44Å
69T89.3Confident88.5Confident64 Ų6454.3 Ų54.339%0.39330%0.3SS..  trans-91.9159.7173.465.50000111G67 E71 R72 L73G67-T69 PolarHBondContact O-N 2.86Å; T69-E71 VanDerWaalsContact C-N 3.26Å; T69-E71 PolarHBondContact O-N 3.45Å; T69-R72 PolarHBondContact O-N 3.02Å; T69-R72 WeakPolarHBondContact OG1-CB 3.44Å; T69-R72 PolarHBondContact OG1-N 2.85Å; T69-R72 VanDerWaalsContact OG1-N 3.15Å; T69-L73 WeakPolarHBondContact O-CB 3.46Å; T69-L73 PolarHBondContact O-N 3.31Å
70V88Confident88.5Confident22 Ų2253.8 Ų53.813%0.13330%0.298CS..Hα-helixtrans-58.5-40.8174.8175.60000110.7E7 L8 V14 R72 L73 W74E7-V70 HydrophobicContact CB-CG2 4.23Å; L8-V70 HydrophobicContact CD2-CG2 3.82Å; L8-V70 HydrophobicContact CG-CG2 4.16Å; V14-V70 HydrophobicContact CG2-CG1 4.07Å; V14-V70 HydrophobicContact CG2-CG2 4.18Å; V70-R72 PolarHBondContact O-N 3.48Å; V70-L73 PolarHBondContact O-N 2.82Å; V70-W74 PolarHBondContact O-N 3.32Å
71E88.9Confident88.5Confident95 Ų9552.5 Ų52.544%0.44430%0.298SS..Hα-helixtrans-61.6-44.8176.8-75.361.2-138.900111.8T69 W74 Q75T69-E71 VanDerWaalsContact C-N 3.26Å; T69-E71 PolarHBondContact O-N 3.45Å; E71-W74 PolarHBondContact O-N 3.38Å; E71-Q75 VanDerWaalsContact O-CG 3.3Å; E71-Q75 WeakPolarHBondContact O-CG 3.44Å; E71-Q75 PolarHBondContact O-N 2.89Å
72R91.1Very high88.3Confident89 Ų8948 Ų4834%0.33628%0.275SS..Hα-helixtrans-68-38.7179.6-177.158.4176.9169.50.4111.1E51 L68 T69 V70 Q75 A76E51-R72 IonicContact OE1-CZ 3.46Å; E51-R72 IonicContact OE1-NH2 3.5Å; E51-R72 PolarHBondContact OE1-NH2 3.17Å; E51-R72 IonicContact OE2-NH2 2.65Å; E51-R72 PolarHBondContact OE2-NH2 3.37Å; E51-R72 VanDerWaalsContact OE2-NH2 3.13Å; L68-R72 HydrophobicContact CD1-CB 4.01Å; L68-R72 HydrophobicContact CD1-CG 3.85Å; T69-R72 PolarHBondContact O-N 3.02Å; T69-R72 WeakPolarHBondContact OG1-CB 3.44Å; T69-R72 PolarHBondContact OG1-N 2.85Å; T69-R72 VanDerWaalsContact OG1-N 3.15Å; V70-R72 PolarHBondContact O-N 3.48Å; R72-Q75 PolarHBondContact O-N 3.41Å; R72-A76 WeakPolarHBondContact O-CB 3.32Å; R72-A76 PolarHBondContact O-N 3.24Å
73L92.1Very high88.4Confident0 Ų045.1 Ų45.10%025%0.245CC..Hα-helixtrans-58.5-47.8172.9176.861.8000111.1L8 V14 I16 I55 Y59 L68 T69 V70 Q75 A76 K77L8-L73 HydrophobicContact CD1-CD2 4.09Å; L8-L73 HydrophobicContact CD2-CD2 4.03Å; V14-L73 HydrophobicContact CB-CD2 4.48Å; I16-L73 HydrophobicContact CG2-CD1 4.24Å; I16-L73 HydrophobicContact CG2-CD2 3.72Å; I16-L73 HydrophobicContact CG2-CG 3.89Å; I55-L73 HydrophobicContact CG2-CD1 4.15Å; Y59-L73 HydrophobicContact CD1-CD1 4.06Å; Y59-L73 HydrophobicContact CD1-CD2 4.09Å; Y59-L73 HydrophobicContact CD2-CD1 4.01Å; Y59-L73 HydrophobicContact CD2-CD2 3.76Å; Y59-L73 HydrophobicContact CE1-CD2 3.85Å; Y59-L73 HydrophobicContact CE2-CD2 3.52Å; Y59-L73 HydrophobicContact CG-CD1 3.7Å; Y59-L73 HydrophobicContact CG-CD2 4.03Å; L68-L73 HydrophobicContact CD1-CB 4.41Å; L68-L73 HydrophobicContact CD2-CB 4.46Å; L68-L73 HydrophobicContact CD2-CD1 4.39Å; L68-L73 HydrophobicContact CG-CB 4.44Å; T69-L73 WeakPolarHBondContact O-CB 3.46Å; T69-L73 PolarHBondContact O-N 3.31Å; V70-L73 PolarHBondContact O-N 2.82Å; L73-Q75 PolarHBondContact O-N 2.97Å; L73-A76 PolarHBondContact O-N 3.37Å; L73-K77 WeakPolarHBondContact O-CB 3.48Å; L73-K77 PolarHBondContact O-N 3.34Å
74W91.7Very high88.5Confident23 Ų2341 Ų419%0.08722%0.224CC..Hα-helixtrans-63.9-40.5176.3-80.7117.9000113V14 K18 R20 V70 E71 K77 N78V14-W74 HydrophobicContact CG1-CH2 4.47Å; V14-W74 HydrophobicContact CG1-CZ2 3.55Å; K18-W74 WeakPolarHBondContact O-CH2 3.35Å; R20-W74 HydrophobicContact CB-CD2 3.78Å; R20-W74 HydrophobicContact CB-CE3 3.71Å; R20-W74 HydrophobicContact CB-CH2 3.72Å; R20-W74 HydrophobicContact CB-CZ2 3.75Å; R20-W74 HydrophobicContact CB-CZ3 3.69Å; R20-W74 HydrophobicContact CG-CD2 3.79Å; R20-W74 HydrophobicContact CG-CE3 4.25Å; R20-W74 HydrophobicContact CG-CG 4.16Å; R20-W74 HydrophobicContact CG-CH2 4.46Å; R20-W74 HydrophobicContact CG-CZ2 4Å; V70-W74 PolarHBondContact O-N 3.32Å; E71-W74 PolarHBondContact O-N 3.38Å; W74-K77 HydrophobicContact CE3-CB 4.39Å; W74-K77 HydrophobicContact CE3-CG 4.49Å; W74-K77 HydrophobicContact CZ3-CG 4.46Å; W74-K77 PolarHBondContact O-N 2.9Å; W74-N78 PolarHBondContact O-N 3.35Å; W74-N78 PolarHBondContact O-ND2 3.48Å; W74-N78 PolarHBondContact O-OD1 3.32Å
75Q90.6Very high88.5Confident99 Ų9938.8 Ų38.846%0.46321%0.213SC..Hα-helixtrans-61.1-46.3175.2-74.1173.64.600111.5E71 R72 L73 K77 N78 V79E71-Q75 VanDerWaalsContact O-CG 3.3Å; E71-Q75 WeakPolarHBondContact O-CG 3.44Å; E71-Q75 PolarHBondContact O-N 2.89Å; R72-Q75 PolarHBondContact O-N 3.41Å; L73-Q75 PolarHBondContact O-N 2.97Å; Q75-K77 VanDerWaalsContact C-N 3.34Å; Q75-K77 PolarHBondContact O-N 3.4Å; Q75-N78 PolarHBondContact O-N 3.48Å; Q75-V79 WeakPolarHBondContact O-CG2 3.19Å; Q75-V79 PolarHBondContact O-N 2.95Å
76A91.8Very high88.2Confident3 Ų339.9 Ų39.93%0.02523%0.225CC..Hα-helixtrans-60.7-44175.700000111.1A52 I55 V56 R72 L73 N78 V79 Y80A52-A76 HydrophobicContact CB-CB 4.34Å; I55-A76 HydrophobicContact CB-CB 3.8Å; I55-A76 HydrophobicContact CD1-CB 3.97Å; I55-A76 HydrophobicContact CG1-CB 4.5Å; I55-A76 HydrophobicContact CG2-CB 3.59Å; V56-A76 HydrophobicContact CG2-CB 4.33Å; R72-A76 WeakPolarHBondContact O-CB 3.32Å; R72-A76 PolarHBondContact O-N 3.24Å; L73-A76 PolarHBondContact O-N 3.37Å; A76-N78 PolarHBondContact O-N 2.77Å; A76-V79 PolarHBondContact O-N 3.43Å; A76-Y80 VanDerWaalsContact O-CB 3.28Å; A76-Y80 WeakPolarHBondContact O-CB 3.41Å; A76-Y80 PolarHBondContact O-N 3.33Å
77K91.3Very high87.9Confident15 Ų1536.9 Ų36.97%0.06520%0.201CC..Hα-helixtrans-59.4-44.6176-173.657162.5770112.5I16 V56 L73 W74 Q75 V79 Y80 D81I16-K77 HydrophobicContact CB-CG 4.5Å; I16-K77 HydrophobicContact CD1-CD 4.32Å; I16-K77 WeakPolarHBondContact O-CE 3.26Å; V56-K77 HydrophobicContact CG1-CD 4.09Å; V56-K77 HydrophobicContact CG2-CB 4.22Å; V56-K77 HydrophobicContact CG2-CD 4.09Å; L73-K77 WeakPolarHBondContact O-CB 3.48Å; L73-K77 PolarHBondContact O-N 3.34Å; W74-K77 HydrophobicContact CE3-CB 4.39Å; W74-K77 HydrophobicContact CE3-CG 4.49Å; W74-K77 HydrophobicContact CZ3-CG 4.46Å; W74-K77 PolarHBondContact O-N 2.9Å; Q75-K77 VanDerWaalsContact C-N 3.34Å; Q75-K77 PolarHBondContact O-N 3.4Å; K77-V79 PolarHBondContact O-N 3.5Å; K77-Y80 HydrophobicContact CD-CD1 4.43Å; K77-Y80 WeakPolarHBondContact O-CB 3.27Å; K77-Y80 PolarHBondContact O-N 3.01Å; K77-D81 IonicContact NZ-OD1 3.01Å; K77-D81 PolarHBondContact NZ-OD1 3.37Å; K77-D81 IonicContact NZ-OD2 3.26Å; K77-D81 PolarHBondContact NZ-OD2 2.88Å; K77-D81 WeakPolarHBondContact O-CB 3.13Å; K77-D81 PolarHBondContact O-N 2.94Å
78N89.8Confident87.8Confident33 Ų3338.1 Ų38.118%0.17620%0.199CC..Hα-helixtrans-64.2-41.1178.6-62.1-27.7000112.4I35 W74 Q75 A76 S82I35-N78 HydrophobicContact CG2-CB 3.66Å; I35-N78 VanDerWaalsContact CG2-ND2 3.25Å; I35-N78 WeakPolarHBondContact CG2-ND2 3.24Å; I35-N78 WeakPolarHBondContact CG2-OD1 3.39Å; W74-N78 PolarHBondContact O-N 3.35Å; W74-N78 PolarHBondContact O-ND2 3.48Å; W74-N78 PolarHBondContact O-OD1 3.32Å; Q75-N78 PolarHBondContact O-N 3.48Å; A76-N78 PolarHBondContact O-N 2.77Å; N78-S82 WeakPolarHBondContact O-CB 3.44Å; N78-S82 PolarHBondContact O-N 2.87Å; N78-S82 VanDerWaalsContact O-N 3.15Å
79V90.9Very high87.6Confident19 Ų1938.1 Ų38.112%0.11520%0.201CC..Hα-helixtrans-67-41.6175.9173.60000110.2L49 A52 Q75 A76 K77 S82 A83L49-V79 HydrophobicContact CD2-CG1 3.59Å; A52-V79 HydrophobicContact CB-CB 3.82Å; A52-V79 HydrophobicContact CB-CG1 3.64Å; Q75-V79 WeakPolarHBondContact O-CG2 3.19Å; Q75-V79 PolarHBondContact O-N 2.95Å; A76-V79 PolarHBondContact O-N 3.43Å; K77-V79 PolarHBondContact O-N 3.5Å; V79-S82 PolarHBondContact O-N 2.92Å; V79-S82 PolarHBondContact O-OG 2.9Å; V79-A83 PolarHBondContact O-N 2.85Å
80Y91Very high87.5Confident13 Ų1341.3 Ų41.35%0.05121%0.212CC..Hα-helixtrans-59.5-53.3176.1176.4-94.2000111.3R53 V56 R60 A76 K77 S82 A83 F84R53-Y80 HydrophobicContact CB-CD2 4.14Å; R53-Y80 HydrophobicContact CB-CE2 4.42Å; R53-Y80 HydrophobicContact CG-CD2 4.27Å; R53-Y80 HydrophobicContact CG-CE2 4.03Å; V56-Y80 HydrophobicContact CB-CD2 4.41Å; V56-Y80 HydrophobicContact CB-CG 4.23Å; V56-Y80 HydrophobicContact CG1-CD1 4.03Å; V56-Y80 HydrophobicContact CG1-CE1 4.22Å; V56-Y80 HydrophobicContact CG1-CG 4.17Å; V56-Y80 HydrophobicContact CG2-CG 4.13Å; R60-Y80 PolarHBondContact NH1-OH 3.34Å; A76-Y80 VanDerWaalsContact O-CB 3.28Å; A76-Y80 WeakPolarHBondContact O-CB 3.41Å; A76-Y80 PolarHBondContact O-N 3.33Å; K77-Y80 HydrophobicContact CD-CD1 4.43Å; K77-Y80 WeakPolarHBondContact O-CB 3.27Å; K77-Y80 PolarHBondContact O-N 3.01Å; Y80-S82 PolarHBondContact O-N 3.44Å; Y80-S82 VanDerWaalsContact O-N 3.12Å; Y80-A83 PolarHBondContact O-N 3.41Å; Y80-F84 HydrophobicContact CD2-CB 3.86Å; Y80-F84 AromaticContact CD2-CD2 3.39Å; Y80-F84 HydrophobicContact CD2-CD2 3.39Å; Y80-F84 HydrophobicContact CD2-CE2 4.06Å; Y80-F84 AromaticContact CD2-CG 3.74Å; Y80-F84 HydrophobicContact CD2-CG 3.74Å; Y80-F84 HydrophobicContact CE1-CB 4.29Å; Y80-F84 HydrophobicContact CE2-CB 3.55Å; Y80-F84 HydrophobicContact CE2-CD1 4.38Å; Y80-F84 AromaticContact CE2-CD2 3.85Å; Y80-F84 HydrophobicContact CE2-CD2 3.85Å; Y80-F84 AromaticContact CE2-CG 3.67Å; Y80-F84 HydrophobicContact CE2-CG 3.67Å; Y80-F84 HydrophobicContact CG-CB 4.35Å; Y80-F84 HydrophobicContact CG-CD2 4.05Å; Y80-F84 WeakPolarHBondContact O-CD2 3.41Å; Y80-F84 PolarHBondContact O-N 2.8Å
81D87.4Confident87.4Confident64 Ų6445.4 Ų45.434%0.34223%0.228SC..Hα-helixtrans-61.5-25179.7-67.8-15.9000112.9K77 A83K77-D81 IonicContact NZ-OD1 3.01Å; K77-D81 PolarHBondContact NZ-OD1 3.37Å; K77-D81 IonicContact NZ-OD2 3.26Å; K77-D81 PolarHBondContact NZ-OD2 2.88Å; K77-D81 WeakPolarHBondContact O-CB 3.13Å; K77-D81 PolarHBondContact O-N 2.94Å; D81-A83 VanDerWaalsContact C-N 3.32Å
82S86.1Confident87.4Confident4 Ų441.5 Ų41.53%0.02821%0.209CC..Hα-helixtrans-75.8-18.3177.381.20000114N78 V79 Y80 R97N78-S82 WeakPolarHBondContact O-CB 3.44Å; N78-S82 PolarHBondContact O-N 2.87Å; N78-S82 VanDerWaalsContact O-N 3.15Å; V79-S82 PolarHBondContact O-N 2.92Å; V79-S82 PolarHBondContact O-OG 2.9Å; Y80-S82 PolarHBondContact O-N 3.44Å; Y80-S82 VanDerWaalsContact O-N 3.12Å; S82-R97 WeakPolarHBondContact O-CB 3.43Å; S82-R97 VanDerWaalsContact O-CD 3.29Å; S82-R97 WeakPolarHBondContact O-CD 3.3Å; S82-R97 WeakPolarHBondContact O-CG 3.31Å
83A87.8Confident87.1Confident0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-132.5-21.4-167.700000115L49 V79 Y80 D81 M92L49-A83 HydrophobicContact CD1-CB 4.03Å; L49-A83 HydrophobicContact CD2-CB 3.6Å; L49-A83 HydrophobicContact CG-CB 4.36Å; V79-A83 PolarHBondContact O-N 2.85Å; Y80-A83 PolarHBondContact O-N 3.41Å; D81-A83 VanDerWaalsContact C-N 3.32Å; A83-M92 PolarHBondContact O-N 3.48Å
84F88.6Confident86.8Confident3 Ų345.3 Ų45.31%0.01324%0.235CC..BIsolated β-bridgetrans-115.9140.1-178-60.3-88.4000110.8L49 R53 Y80 G89 E90 K91 M92L49-F84 HydrophobicContact CB-CE2 4.08Å; L49-F84 HydrophobicContact CB-CZ 4.15Å; L49-F84 WeakPolarHBondContact O-CE2 3.46Å; R53-F84 HydrophobicContact CB-CE1 4.37Å; R53-F84 HydrophobicContact CB-CE2 3.98Å; R53-F84 HydrophobicContact CB-CZ 3.82Å; R53-F84 HydrophobicContact CG-CE1 4.31Å; R53-F84 HydrophobicContact CG-CZ 4.26Å; Y80-F84 HydrophobicContact CD2-CB 3.86Å; Y80-F84 AromaticContact CD2-CD2 3.39Å; Y80-F84 HydrophobicContact CD2-CD2 3.39Å; Y80-F84 HydrophobicContact CD2-CE2 4.06Å; Y80-F84 AromaticContact CD2-CG 3.74Å; Y80-F84 HydrophobicContact CD2-CG 3.74Å; Y80-F84 HydrophobicContact CE1-CB 4.29Å; Y80-F84 HydrophobicContact CE2-CB 3.55Å; Y80-F84 HydrophobicContact CE2-CD1 4.38Å; Y80-F84 AromaticContact CE2-CD2 3.85Å; Y80-F84 HydrophobicContact CE2-CD2 3.85Å; Y80-F84 AromaticContact CE2-CG 3.67Å; Y80-F84 HydrophobicContact CE2-CG 3.67Å; Y80-F84 HydrophobicContact CG-CB 4.35Å; Y80-F84 HydrophobicContact CG-CD2 4.05Å; Y80-F84 WeakPolarHBondContact O-CD2 3.41Å; Y80-F84 PolarHBondContact O-N 2.8Å; F84-G89 WeakPolarHBondContact CD1-O 3.27Å; F84-E90 CarbonylContact C-O 3.49Å; F84-E90 VanDerWaalsContact CA-O 3.29Å; F84-E90 WeakPolarHBondContact CA-O 3.21Å; F84-K91 HydrophobicContact CD1-CB 4.08Å; F84-K91 HydrophobicContact CE1-CB 3.95Å; F84-K91 HydrophobicContact CE1-CG 4.39Å; F84-M92 WeakPolarHBondContact O-CE 3.36Å
85H83.4Confident86.5Confident13 Ų1348 Ų486%0.0625%0.251CS..  trans-66.1134.4179.5-167.8-78.4000109.9D87 T88 G89 E90 M92 T139 R141H85-D87 VanDerWaalsContact C-N 3.32Å; H85-D87 IonicContact CE1-OD2 2.72Å; H85-D87 PolarHBondContact ND1-N 2.93Å; H85-D87 PolarHBondContact O-N 3.3Å; H85-T88 WeakPolarHBondContact CB-OG1 3.41Å; H85-T88 PolarHBondContact ND1-N 3.47Å; H85-G89 VanDerWaalsContact O-CA 3.22Å; H85-G89 WeakPolarHBondContact O-CA 3.25Å; H85-G89 PolarHBondContact O-N 2.72Å; H85-E90 PolarHBondContact N-O 2.69Å; H85-M92 HydrophobicContact CB-CG 4.14Å; H85-T139 PolarHBondContact CD2-O 2.84Å; H85-R141 PolarHBondContact CE1-O 3.46Å; H85-R141 PolarHBondContact NE2-O 3.02Å
86P78.5Confident86.2Confident82 Ų8243.3 Ų43.353%0.53223%0.229SC..THydrogen-bonded Turntrans-60-41.2-176.722-33.1000112.7
87D77.6Confident85.9Confident73 Ų7343.9 Ų43.939%0.3923%0.23SC..THydrogen-bonded Turntrans-83.7-50.7-174.4-51.7-18000113.2H85 S142 G143H85-D87 VanDerWaalsContact C-N 3.32Å; H85-D87 IonicContact CE1-OD2 2.72Å; H85-D87 PolarHBondContact ND1-N 2.93Å; H85-D87 PolarHBondContact O-N 3.3Å; D87-S142 WeakPolarHBondContact OD2-CA 3.22Å; D87-S142 VanDerWaalsContact OD2-CB 3.32Å; D87-S142 WeakPolarHBondContact OD2-CB 3.47Å; D87-G143 PolarHBondContact OD2-N 3.37Å
88T81.3Confident85.3Confident76 Ų7645.1 Ų45.147%0.46624%0.237SC..THydrogen-bonded Turntrans-86.3-18.7-176.2670000113.3H85 E90H85-T88 WeakPolarHBondContact CB-OG1 3.41Å; H85-T88 PolarHBondContact ND1-N 3.47Å; T88-E90 PolarHBondContact O-N 2.85Å; T88-E90 WeakPolarHBondContact OG1-CB 3.07Å; T88-E90 PolarHBondContact OG1-N 3.38Å
89G82.9Confident84.9Confident10 Ų1043.5 Ų43.510%0.10323%0.228CC..  trans669.7-171.800000114.2R53 F84 H85R53-G89 PolarHBondContact NH2-O 2.96Å; F84-G89 WeakPolarHBondContact CD1-O 3.27Å; H85-G89 VanDerWaalsContact O-CA 3.22Å; H85-G89 WeakPolarHBondContact O-CA 3.25Å; H85-G89 PolarHBondContact O-N 2.72Å
90E86.1Confident84.7Confident132 Ų13245.1 Ų45.162%0.61723%0.234SC*.PPolyproline II helixtrans-79.1149.6178.4-67.5-176.3161.800111.5F84 H85 T88 M92F84-E90 CarbonylContact C-O 3.49Å; F84-E90 VanDerWaalsContact CA-O 3.29Å; F84-E90 WeakPolarHBondContact CA-O 3.21Å; H85-E90 PolarHBondContact N-O 2.69Å; T88-E90 PolarHBondContact O-N 2.85Å; T88-E90 WeakPolarHBondContact OG1-CB 3.07Å; T88-E90 PolarHBondContact OG1-N 3.38Å; E90-M92 PolarHBondContact O-N 3.47Å
91K86.4Confident84.4Confident108 Ų10845 Ų4547%0.4723%0.234SC..BIsolated β-bridgetrans-70.4118.3177.9-173.9174.8-179.2174.20110.1F84F84-K91 HydrophobicContact CD1-CB 4.08Å; F84-K91 HydrophobicContact CE1-CB 3.95Å; F84-K91 HydrophobicContact CE1-CG 4.39Å
92M88.2Confident84.3Confident12 Ų1242.1 Ų42.16%0.05922%0.218CC..PPolyproline II helixtrans-69.5146.5175.8-67.3-174.2-71.800111.3A83 F84 H85 E90 R97 T139A83-M92 PolarHBondContact O-N 3.48Å; F84-M92 WeakPolarHBondContact O-CE 3.36Å; H85-M92 HydrophobicContact CB-CG 4.14Å; E90-M92 PolarHBondContact O-N 3.47Å; M92-R97 HydrophobicContact CB-CG 3.91Å; M92-R97 HydrophobicContact CE-CG 4.37Å; M92-R97 PolarHBondContact O-NE 3.06Å; M92-R97 PolarHBondContact O-NH2 3.41Å; M92-T139 HydrophobicContact CB-CG2 3.62Å; M92-T139 HydrophobicContact CG-CG2 3.82Å; M92-T139 HydrophobicContact SD-CG2 4.07Å
93I86.5Confident84.4Confident90 Ų9043.4 Ų43.446%0.46223%0.227SC..PPolyproline II helixtrans-59.6138.4171.359.1167.3000110.1I95 G96 R97 V135 T139I93-I95 VanDerWaalsContact C-N 3.34Å; I93-I95 HydrophobicContact CD1-CG1 4.11Å; I93-I95 PolarHBondContact O-N 3.42Å; I93-G96 PolarHBondContact O-N 2.99Å; I93-R97 WeakPolarHBondContact O-CG 3.47Å; I93-R97 PolarHBondContact O-N 3.23Å; I93-V135 HydrophobicContact CD1-CG1 3.61Å; I93-T139 WeakPolarHBondContact CD1-OG1 3.49Å; I93-T139 HydrophobicContact CG1-CG2 3.76Å; I93-T139 VanDerWaalsContact CG1-OG1 3.32Å; I93-T139 WeakPolarHBondContact CG1-OG1 3.41Å
94L85.6Confident84.5Confident79 Ų7943.7 Ų43.741%0.41423%0.229SC..G310 helixtrans-54.1-48.9-170.3178.862.3000112.7A42 G96 R97 F100A42-L94 HydrophobicContact CB-CD1 4.4Å; L94-G96 PolarHBondContact O-N 3.49Å; L94-R97 WeakPolarHBondContact O-CB 3.44Å; L94-R97 PolarHBondContact O-N 3.09Å; L94-R97 VanDerWaalsContact O-N 3.16Å; L94-F100 HydrophobicContact CG-CD2 4.31Å; L94-F100 VanDerWaalsContact O-CB 3.22Å; L94-F100 WeakPolarHBondContact O-CB 3.45Å
95I85.9Confident84.6Confident81 Ų8145 Ų4542%0.41524%0.236SC..G310 helixtrans-68.4-18.9-177.660.9171.8000113.7I93 F100 F132 V135I93-I95 VanDerWaalsContact C-N 3.34Å; I93-I95 HydrophobicContact CD1-CG1 4.11Å; I93-I95 PolarHBondContact O-N 3.42Å; I95-F100 HydrophobicContact CB-CD1 4.16Å; I95-F100 HydrophobicContact CB-CE1 4.24Å; I95-F100 HydrophobicContact CG2-CD1 4.21Å; I95-F100 HydrophobicContact CG2-CE1 3.88Å; I95-F100 HydrophobicContact CG2-CZ 4.23Å; I95-F132 VanDerWaalsContact O-CE2 3.3Å; I95-F132 WeakPolarHBondContact O-CE2 3.08Å; I95-V135 HydrophobicContact CD1-CG1 3.91Å; I95-V135 HydrophobicContact CG1-CG1 3.94Å
96G84.3Confident84.9Confident0 Ų046.7 Ų46.70%025%0.245CC..G310 helixtrans-89.9-9.417700000113.4I93 L94 N140I93-G96 PolarHBondContact O-N 2.99Å; L94-G96 PolarHBondContact O-N 3.49Å; G96-N140 PolarHBondContact O-ND2 2.86Å
97R85.2Confident85.5Confident14 Ų1447.5 Ų47.55%0.05324%0.24CC..SBendtrans-71145.2-179.5-67.9171.1-170.1179.26.5111.3S82 M92 I93 L94 S99 F100 Q101S82-R97 WeakPolarHBondContact O-CB 3.43Å; S82-R97 VanDerWaalsContact O-CD 3.29Å; S82-R97 WeakPolarHBondContact O-CD 3.3Å; S82-R97 WeakPolarHBondContact O-CG 3.31Å; M92-R97 HydrophobicContact CB-CG 3.91Å; M92-R97 HydrophobicContact CE-CG 4.37Å; M92-R97 PolarHBondContact O-NE 3.06Å; M92-R97 PolarHBondContact O-NH2 3.41Å; I93-R97 WeakPolarHBondContact O-CG 3.47Å; I93-R97 PolarHBondContact O-N 3.23Å; L94-R97 WeakPolarHBondContact O-CB 3.44Å; L94-R97 PolarHBondContact O-N 3.09Å; L94-R97 VanDerWaalsContact O-N 3.16Å; R97-S99 PolarHBondContact O-N 2.83Å; R97-F100 PolarHBondContact O-N 3.4Å; R97-Q101 PolarHBondContact O-N 3.29Å
98M77.9Confident86.2Confident41 Ų4144.1 Ų44.120%0.20222%0.222CC..Hα-helixtrans-59.4-30.1173-65.7-65.4-89.500112.4F100 Q101 V136M98-F100 VanDerWaalsContact C-N 3.26Å; M98-F100 PolarHBondContact O-N 3.32Å; M98-Q101 VanDerWaalsContact O-CB 3.23Å; M98-Q101 WeakPolarHBondContact O-CB 3.36Å; M98-Q101 PolarHBondContact O-N 3.4Å; M98-V136 HydrophobicContact SD-CG1 4.38Å
99S82.1Confident86.5Confident0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-65.7-27173.759.60000113.5R97 P103R97-S99 PolarHBondContact O-N 2.83Å; S99-P103 VanDerWaalsContact O-CD 3.27Å; S99-P103 WeakPolarHBondContact O-CD 3.27Å
100F86.7Confident86.8Confident53 Ų5340.5 Ų40.523%0.23220%0.198CC..Hα-helixtrans-87.8-9.8176.1-161.8-94.7000112.9A42 L94 I95 R97 M98 V102 P103 G104 F132A42-F100 HydrophobicContact CB-CD2 4.33Å; L94-F100 HydrophobicContact CG-CD2 4.31Å; L94-F100 VanDerWaalsContact O-CB 3.22Å; L94-F100 WeakPolarHBondContact O-CB 3.45Å; I95-F100 HydrophobicContact CB-CD1 4.16Å; I95-F100 HydrophobicContact CB-CE1 4.24Å; I95-F100 HydrophobicContact CG2-CD1 4.21Å; I95-F100 HydrophobicContact CG2-CE1 3.88Å; I95-F100 HydrophobicContact CG2-CZ 4.23Å; R97-F100 PolarHBondContact O-N 3.4Å; M98-F100 VanDerWaalsContact C-N 3.26Å; M98-F100 PolarHBondContact O-N 3.32Å; F100-V102 VanDerWaalsContact C-N 3.31Å; F100-V102 PolarHBondContact O-N 2.85Å; F100-P103 HydrophobicContact CD2-CB 4.38Å; F100-P103 HydrophobicContact CE2-CB 4.36Å; F100-P103 WeakPolarHBondContact O-CD 3.39Å; F100-G104 PolarHBondContact O-N 3.28Å; F100-F132 AromaticContact CD1-CE2 3.7Å; F100-F132 HydrophobicContact CD1-CE2 3.7Å; F100-F132 AromaticContact CD1-CZ 3.93Å; F100-F132 HydrophobicContact CD1-CZ 3.93Å; F100-F132 AromaticContact CE1-CE2 3.92Å; F100-F132 HydrophobicContact CE1-CE2 3.92Å; F100-F132 HydrophobicContact CE1-CZ 4.42Å
101Q84.9Confident87Confident10 Ų1034.5 Ų34.55%0.04717%0.17CC..Hα-helixtrans-58.7-42.2178.2-173.3170.347.700112.2R97 M98 N105 R238R97-Q101 PolarHBondContact O-N 3.29Å; M98-Q101 VanDerWaalsContact O-CB 3.23Å; M98-Q101 WeakPolarHBondContact O-CB 3.36Å; M98-Q101 PolarHBondContact O-N 3.4Å; Q101-N105 VanDerWaalsContact CG-ND2 3.3Å; Q101-N105 WeakPolarHBondContact CG-ND2 3.35Å; Q101-N105 WeakPolarHBondContact O-CB 3.45Å; Q101-N105 PolarHBondContact O-N 2.98Å; Q101-N105 PolarHBondContact O-ND2 3.41Å; Q101-R238 VanDerWaalsContact NE2-NH1 3.18Å
102V85.2Confident87.1Confident4 Ų429.4 Ų29.42%0.02415%0.149CC..Hα-helixtrans-68.5-53.8178.61720000111.1F100 G104 N105 M106 L281 S282 T285F100-V102 VanDerWaalsContact C-N 3.31Å; F100-V102 PolarHBondContact O-N 2.85Å; V102-G104 PolarHBondContact O-N 3.06Å; V102-N105 PolarHBondContact O-N 3.49Å; V102-M106 WeakPolarHBondContact O-CB 3.29Å; V102-M106 PolarHBondContact O-N 2.92Å; V102-L281 HydrophobicContact CG1-CB 4.32Å; V102-S282 WeakPolarHBondContact CG1-OG 3.41Å; V102-T285 HydrophobicContact CG2-CG2 4.42Å
103P87.9Confident87Confident31 Ų3129.3 Ų29.320%0.20115%0.148CC..Hα-helixtrans-57.7-42.8175.1-26.834.3000114.4P39 S99 F100 M106 F107P39-P103 HydrophobicContact CB-CG 3.87Å; S99-P103 VanDerWaalsContact O-CD 3.27Å; S99-P103 WeakPolarHBondContact O-CD 3.27Å; F100-P103 HydrophobicContact CD2-CB 4.38Å; F100-P103 HydrophobicContact CE2-CB 4.36Å; F100-P103 WeakPolarHBondContact O-CD 3.39Å; P103-M106 WeakPolarHBondContact O-CB 3.4Å; P103-M106 PolarHBondContact O-N 3.2Å; P103-F107 PolarHBondContact O-N 3.01Å; P103-F107 VanDerWaalsContact O-N 3.09Å
104G90.1Very high86.9Confident5 Ų528.1 Ų28.15%0.05214%0.141CC..Hα-helixtrans-63.5-53.1178.400000111.6F100 V102 M106 F107 I108F100-G104 PolarHBondContact O-N 3.28Å; V102-G104 PolarHBondContact O-N 3.06Å; G104-M106 VanDerWaalsContact C-N 3.29Å; G104-M106 PolarHBondContact O-N 3.36Å; G104-F107 PolarHBondContact O-N 3.06Å; G104-I108 WeakPolarHBondContact O-CD1 3.34Å; G104-I108 WeakPolarHBondContact O-CG1 3.18Å; G104-I108 PolarHBondContact O-N 3.47Å
105N89.2Confident86.9Confident30 Ų3028.7 Ų28.716%0.1614%0.14CC..Hα-helixtrans-66-32178.4-76.2-47000112.9Q101 V102 T109 L281Q101-N105 VanDerWaalsContact CG-ND2 3.3Å; Q101-N105 WeakPolarHBondContact CG-ND2 3.35Å; Q101-N105 WeakPolarHBondContact O-CB 3.45Å; Q101-N105 PolarHBondContact O-N 2.98Å; Q101-N105 PolarHBondContact O-ND2 3.41Å; V102-N105 PolarHBondContact O-N 3.49Å; N105-T109 WeakPolarHBondContact O-CB 3.43Å; N105-T109 PolarHBondContact O-N 2.9Å; N105-T109 PolarHBondContact O-OG1 2.81Å; N105-L281 HydrophobicContact CB-CD1 3.86Å
106M90.5Very high86.8Confident50 Ų5025.8 Ų25.825%0.24612%0.124CC..Hα-helixtrans-56.4-52172163.1-176.3173.800110.9V102 P103 G104 G110 I274 G278 L281V102-M106 WeakPolarHBondContact O-CB 3.29Å; V102-M106 PolarHBondContact O-N 2.92Å; P103-M106 WeakPolarHBondContact O-CB 3.4Å; P103-M106 PolarHBondContact O-N 3.2Å; G104-M106 VanDerWaalsContact C-N 3.29Å; G104-M106 PolarHBondContact O-N 3.36Å; M106-G110 PolarHBondContact O-N 2.86Å; M106-I274 HydrophobicContact CE-CG2 3.68Å; M106-I274 WeakPolarHBondContact CE-O 3.3Å; M106-I274 HydrophobicContact CG-CG2 3.88Å; M106-I274 VanDerWaalsContact CG-O 3.31Å; M106-I274 WeakPolarHBondContact CG-O 3.39Å; M106-G278 VanDerWaalsContact CG-CA 3.41Å; M106-G278 WeakPolarHBondContact SD-CA 3.33Å; M106-L281 HydrophobicContact CB-CD1 4.33Å
107F91.2Very high86.7Confident99 Ų9933.6 Ų33.643%0.43416%0.158SC..Hα-helixtrans-63.6-50.3179.5-177.9-110.9000111.5P103 G104 T109 G110 C111 W125 I274P103-F107 PolarHBondContact O-N 3.01Å; P103-F107 VanDerWaalsContact O-N 3.09Å; G104-F107 PolarHBondContact O-N 3.06Å; F107-T109 PolarHBondContact O-N 3.34Å; F107-G110 PolarHBondContact O-N 3.26Å; F107-C111 WeakPolarHBondContact O-CB 3.19Å; F107-C111 PolarHBondContact O-N 3.29Å; F107-C111 PolarHBondContact O-SG 3.05Å; F107-W125 HydrophobicContact CD1-CH2 4.39Å; F107-W125 HydrophobicContact CD1-CZ3 4.29Å; F107-W125 AromaticContact CE1-CH2 3.56Å; F107-W125 HydrophobicContact CE1-CH2 3.56Å; F107-W125 AromaticContact CE1-CZ3 3.83Å; F107-W125 HydrophobicContact CE1-CZ3 3.83Å; F107-W125 AromaticContact CZ-CH2 3.94Å; F107-W125 HydrophobicContact CZ-CH2 3.94Å; F107-I274 HydrophobicContact CD2-CD1 4.42Å
108I91.6Very high86.8Confident1 Ų135.3 Ų35.31%0.00517%0.172CC..Hα-helixtrans-61.7-49.3-177.1-65.4168.1000111.4G104 C111 L112 F128 N129 F132G104-I108 WeakPolarHBondContact O-CD1 3.34Å; G104-I108 WeakPolarHBondContact O-CG1 3.18Å; G104-I108 PolarHBondContact O-N 3.47Å; I108-C111 PolarHBondContact O-N 3.38Å; I108-L112 HydrophobicContact CG2-CD1 4.08Å; I108-L112 WeakPolarHBondContact O-CB 3.33Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 3.45Å; I108-F128 HydrophobicContact CD1-CD1 3.82Å; I108-F128 HydrophobicContact CD1-CE1 3.81Å; I108-F128 HydrophobicContact CG1-CD1 3.67Å; I108-F128 HydrophobicContact CG1-CE1 3.7Å; I108-N129 HydrophobicContact CG2-CB 3.6Å; I108-F132 HydrophobicContact CD1-CB 3.64Å; I108-F132 HydrophobicContact CD1-CD1 3.75Å; I108-F132 HydrophobicContact CD1-CD2 4.38Å; I108-F132 HydrophobicContact CD1-CG 3.65Å
109T89.2Confident87.2Confident10 Ų1036.5 Ų36.56%0.06118%0.181CC..Hα-helixtrans-65.2-42.7179.7-62.20000110.9N105 F107 C111 L112 L113 M246 V277N105-T109 WeakPolarHBondContact O-CB 3.43Å; N105-T109 PolarHBondContact O-N 2.9Å; N105-T109 PolarHBondContact O-OG1 2.81Å; F107-T109 PolarHBondContact O-N 3.34Å; T109-C111 VanDerWaalsContact C-N 3.3Å; T109-C111 PolarHBondContact O-N 3.46Å; T109-L112 PolarHBondContact O-N 3.46Å; T109-L113 HydrophobicContact CG2-CD1 3.98Å; T109-L113 HydrophobicContact CG2-CG 4.43Å; T109-L113 WeakPolarHBondContact O-CB 3.32Å; T109-L113 WeakPolarHBondContact O-CG 3.5Å; T109-L113 PolarHBondContact O-N 3.24Å; T109-M246 HydrophobicContact CG2-CE 3.4Å; T109-M246 VanDerWaalsContact CG2-CE 3.4Å; T109-M246 HydrophobicContact CG2-CG 3.72Å; T109-M246 HydrophobicContact CG2-SD 4.41Å; T109-M246 WeakPolarHBondContact OG1-CE 3.17Å; T109-V277 HydrophobicContact CG2-CG1 3.69Å; T109-V277 HydrophobicContact CG2-CG2 4.01Å
110G89.1Confident87.6Confident0 Ų040.8 Ų40.80%021%0.21CC..Hα-helixtrans-59.2-41.8175.700000112.2M106 F107 Q114 Q273M106-G110 PolarHBondContact O-N 2.86Å; F107-G110 PolarHBondContact O-N 3.26Å; G110-Q114 VanDerWaalsContact O-CB 3.29Å; G110-Q114 WeakPolarHBondContact O-CB 3.28Å; G110-Q114 PolarHBondContact O-N 3.45Å; G110-Q273 PolarHBondContact O-NE2 2.82Å
111C89.6Confident87.8Confident6 Ų639.1 Ų39.14%0.04121%0.205CC..Hα-helixtrans-69.6-41.6175.5-69.90000113.4F107 I108 T109 L113 Q114 F115 W125F107-C111 WeakPolarHBondContact O-CB 3.19Å; F107-C111 PolarHBondContact O-N 3.29Å; F107-C111 PolarHBondContact O-SG 3.05Å; I108-C111 PolarHBondContact O-N 3.38Å; T109-C111 VanDerWaalsContact C-N 3.3Å; T109-C111 PolarHBondContact O-N 3.46Å; C111-L113 VanDerWaalsContact C-N 3.29Å; C111-L113 PolarHBondContact O-N 2.91Å; C111-Q114 PolarHBondContact O-N 3.45Å; C111-F115 HydrophobicContact CB-CD2 4.14Å; C111-F115 HydrophobicContact CB-CE2 4.34Å; C111-F115 VanDerWaalsContact O-CD2 3.25Å; C111-F115 WeakPolarHBondContact O-CD2 3.4Å; C111-F115 PolarHBondContact O-N 2.96Å; C111-W125 HydrophobicContact CB-CD2 3.61Å; C111-W125 HydrophobicContact CB-CE3 3.96Å; C111-W125 HydrophobicContact CB-CG 4.18Å; C111-W125 HydrophobicContact CB-CH2 3.91Å; C111-W125 HydrophobicContact CB-CZ2 3.56Å; C111-W125 HydrophobicContact CB-CZ3 4.1Å; C111-W125 VanDerWaalsContact SG-CZ2 3.58Å
112L88.2Confident88Confident2 Ų238.9 Ų38.91%0.0121%0.205CC..Hα-helixtrans-56.6-44.2174.1-83.2169.7000111.6I108 T109 Y116 W125 Q126 P186 V190I108-L112 HydrophobicContact CG2-CD1 4.08Å; I108-L112 WeakPolarHBondContact O-CB 3.33Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 3.45Å; T109-L112 PolarHBondContact O-N 3.46Å; L112-Y116 WeakPolarHBondContact O-CA 3.32Å; L112-Y116 WeakPolarHBondContact O-CB 3.39Å; L112-Y116 PolarHBondContact O-N 2.81Å; L112-W125 HydrophobicContact CD2-CB 3.45Å; L112-W125 VanDerWaalsContact CD2-CB 3.45Å; L112-W125 HydrophobicContact CG-CB 3.81Å; L112-Q126 HydrophobicContact CD2-CG 4.16Å; L112-P186 HydrophobicContact CB-CB 4.2Å; L112-V190 HydrophobicContact CD1-CG2 4.22Å
113L85.9Confident88.3Confident10 Ų1041.9 Ų41.95%0.05222%0.22CC..Hα-helixtrans-71.7-34.6178-70.4173.2000112.1T109 C111 Y116 P186 M246 L249 P250 V277T109-L113 HydrophobicContact CG2-CD1 3.98Å; T109-L113 HydrophobicContact CG2-CG 4.43Å; T109-L113 WeakPolarHBondContact O-CB 3.32Å; T109-L113 WeakPolarHBondContact O-CG 3.5Å; T109-L113 PolarHBondContact O-N 3.24Å; C111-L113 VanDerWaalsContact C-N 3.29Å; C111-L113 PolarHBondContact O-N 2.91Å; L113-Y116 WeakPolarHBondContact O-CD1 3.12Å; L113-P186 HydrophobicContact CD2-CG 4.45Å; L113-M246 HydrophobicContact CD2-CB 4.48Å; L113-L249 HydrophobicContact CD1-CD2 4.15Å; L113-P250 HydrophobicContact CD2-CG 4.44Å; L113-V277 HydrophobicContact CD1-CG2 4.04Å
114Q85.3Confident88.6Confident65 Ų6545 Ų4530%0.30423%0.23SC..Hα-helixtrans-74.3-43.7-177-179.564.417.200111.1G110 C111 A270 Q273G110-Q114 VanDerWaalsContact O-CB 3.29Å; G110-Q114 WeakPolarHBondContact O-CB 3.28Å; G110-Q114 PolarHBondContact O-N 3.45Å; C111-Q114 PolarHBondContact O-N 3.45Å; Q114-A270 HydrophobicContact CG-CB 3.87Å; Q114-Q273 VanDerWaalsContact CA-NE2 3.31Å
115F85.8Confident88.8Confident91 Ų9146.2 Ų46.240%0.39923%0.233SC..SBendtrans-101.518.4-172.9-55.5-66.3000112.8C111 K117 S118 A121 W125C111-F115 HydrophobicContact CB-CD2 4.14Å; C111-F115 HydrophobicContact CB-CE2 4.34Å; C111-F115 VanDerWaalsContact O-CD2 3.25Å; C111-F115 WeakPolarHBondContact O-CD2 3.4Å; C111-F115 PolarHBondContact O-N 2.96Å; F115-K117 PolarHBondContact O-N 2.96Å; F115-S118 PolarHBondContact O-N 3.47Å; F115-A121 HydrophobicContact CB-CB 3.6Å; F115-A121 HydrophobicContact CG-CB 4.44Å; F115-W125 AromaticContact CD2-NE1 3.59Å
116Y83.2Confident88.9Confident20 Ų2044.8 Ų44.88%0.07823%0.226CC..THydrogen-bonded Turntrans-55.8-27.7-175.282.1-81.3000114.5L112 L113 V122 P179 G182 R183L112-Y116 WeakPolarHBondContact O-CA 3.32Å; L112-Y116 WeakPolarHBondContact O-CB 3.39Å; L112-Y116 PolarHBondContact O-N 2.81Å; L113-Y116 WeakPolarHBondContact O-CD1 3.12Å; Y116-V122 WeakPolarHBondContact O-CG2 3.1Å; Y116-P179 PolarHBondContact OH-O 3.19Å; Y116-G182 WeakPolarHBondContact CD2-O 3.22Å; Y116-R183 HydrophobicContact CE1-CG 4.05Å; Y116-R183 HydrophobicContact CE2-CG 4.07Å
117K81.6Confident89.1Confident164 Ų16447.4 Ų47.471%0.71323%0.233SC*.THydrogen-bonded Turntrans-75.6-24.1178.8-64-175.9179.81780113.4F115F115-K117 PolarHBondContact O-N 2.96Å
118S87.3Confident89.3Confident50 Ų5046 Ų4635%0.3523%0.227SC..  trans-91.1107.1-177.21740000109.4F115 P120 A121 V122F115-S118 PolarHBondContact O-N 3.47Å; S118-P120 WeakPolarHBondContact OG-CD 3.32Å; S118-P120 WeakPolarHBondContact OG-CG 3.37Å; S118-A121 WeakPolarHBondContact O-CB 3.36Å; S118-A121 PolarHBondContact O-N 3.3Å; S118-A121 PolarHBondContact OG-N 3.41Å; S118-V122 WeakPolarHBondContact O-CG2 3.43Å; S118-V122 PolarHBondContact O-N 2.98Å
119T86.7Confident89.3Confident65 Ų6546.3 Ų46.340%0.39923%0.229SC..Hα-helixtrans-49-50.1175.2-53.70000113.5A121 V122 I123 L168T119-A121 VanDerWaalsContact C-N 3.29Å; T119-A121 PolarHBondContact O-N 2.8Å; T119-V122 PolarHBondContact O-N 3.35Å; T119-I123 HydrophobicContact CG2-CD1 4.1Å; T119-I123 WeakPolarHBondContact O-CG1 3.39Å; T119-I123 PolarHBondContact O-N 3.24Å; T119-L168 HydrophobicContact CG2-CD2 3.53Å
120P91.5Very high89.4Confident91 Ų9146.1 Ų46.159%0.59123%0.227SC*.Hα-helixtrans-63.8-34.9178.224.1-33.1000112.4S118 I123 F124S118-P120 WeakPolarHBondContact OG-CD 3.32Å; S118-P120 WeakPolarHBondContact OG-CG 3.37Å; P120-I123 PolarHBondContact O-N 3.21Å; P120-F124 WeakPolarHBondContact O-CB 3.19Å; P120-F124 PolarHBondContact O-N 3.36Å
121A90.9Very high89.6Confident17 Ų1748.1 Ų48.114%0.1424%0.239CC..Hα-helixtrans-67.9-41.2175.600000111.8F115 S118 T119 I123 F124 W125F115-A121 HydrophobicContact CB-CB 3.6Å; F115-A121 HydrophobicContact CG-CB 4.44Å; S118-A121 WeakPolarHBondContact O-CB 3.36Å; S118-A121 PolarHBondContact O-N 3.3Å; S118-A121 PolarHBondContact OG-N 3.41Å; T119-A121 VanDerWaalsContact C-N 3.29Å; T119-A121 PolarHBondContact O-N 2.8Å; A121-I123 VanDerWaalsContact C-N 3.31Å; A121-I123 PolarHBondContact O-N 3.17Å; A121-F124 PolarHBondContact O-N 2.92Å; A121-W125 WeakPolarHBondContact O-CB 3.49Å; A121-W125 PolarHBondContact O-N 3.45Å
122V88.3Confident89.8Confident6 Ų648.6 Ų48.64%0.03624%0.241CC..Hα-helixtrans-59.7-44.3174.5171.20000110.4Y116 S118 T119 W125 Q126 A167Y116-V122 WeakPolarHBondContact O-CG2 3.1Å; S118-V122 WeakPolarHBondContact O-CG2 3.43Å; S118-V122 PolarHBondContact O-N 2.98Å; T119-V122 PolarHBondContact O-N 3.35Å; V122-W125 PolarHBondContact O-N 3.45Å; V122-Q126 HydrophobicContact CG1-CG 4.25Å; V122-Q126 WeakPolarHBondContact O-CB 3.07Å; V122-Q126 WeakPolarHBondContact O-CG 3.46Å; V122-Q126 PolarHBondContact O-N 2.88Å; V122-A167 HydrophobicContact CG1-CB 3.76Å
123I91.2Very high89.8Confident67 Ų6749.8 Ų49.834%0.34425%0.247SC..Hα-helixtrans-59.6-52176.7-67166.3000110.5T119 P120 A121 W125 Q126 W127 L164 L168T119-I123 HydrophobicContact CG2-CD1 4.1Å; T119-I123 WeakPolarHBondContact O-CG1 3.39Å; T119-I123 PolarHBondContact O-N 3.24Å; P120-I123 PolarHBondContact O-N 3.21Å; A121-I123 VanDerWaalsContact C-N 3.31Å; A121-I123 PolarHBondContact O-N 3.17Å; I123-W125 PolarHBondContact O-N 2.78Å; I123-Q126 PolarHBondContact O-N 2.85Å; I123-W127 WeakPolarHBondContact O-CB 3.45Å; I123-W127 PolarHBondContact O-N 3.39Å; I123-L164 HydrophobicContact CB-CD2 4.09Å; I123-L164 HydrophobicContact CG1-CD2 4.11Å; I123-L164 HydrophobicContact CG2-CD2 4.02Å; I123-L168 HydrophobicContact CD1-CD2 4.19Å; I123-L168 HydrophobicContact CG1-CD1 4.48Å; I123-L168 HydrophobicContact CG1-CD2 4.04Å
124F95.4Very high90Very high96 Ų9650 Ų5042%0.42125%0.251SS..Hα-helixtrans-58.1-48.7179.8174.5-97.9000112P120 A121 W127 F128P120-F124 WeakPolarHBondContact O-CB 3.19Å; P120-F124 PolarHBondContact O-N 3.36Å; A121-F124 PolarHBondContact O-N 2.92Å; F124-W127 AromaticContact CD2-CE3 3.97Å; F124-W127 HydrophobicContact CD2-CE3 3.97Å; F124-W127 HydrophobicContact CD2-CZ3 4.04Å; F124-W127 HydrophobicContact CE2-CE3 4.03Å; F124-W127 AromaticContact CE2-CZ3 3.64Å; F124-W127 HydrophobicContact CE2-CZ3 3.64Å; F124-W127 HydrophobicContact CZ-CZ3 4.36Å; F124-W127 PolarHBondContact O-N 2.96Å; F124-F128 HydrophobicContact CZ-CD2 4.23Å; F124-F128 VanDerWaalsContact O-CB 3.28Å; F124-F128 WeakPolarHBondContact O-CB 3.32Å; F124-F128 PolarHBondContact O-N 3.26Å
125W93.4Very high90.2Very high30 Ų3048.8 Ų48.811%0.11425%0.247CC..Hα-helixtrans-73.8-29.5-175.5-72.5119.3000113.4F107 C111 L112 F115 A121 V122 I123 F128 N129F107-W125 HydrophobicContact CD1-CH2 4.39Å; F107-W125 HydrophobicContact CD1-CZ3 4.29Å; F107-W125 AromaticContact CE1-CH2 3.56Å; F107-W125 HydrophobicContact CE1-CH2 3.56Å; F107-W125 AromaticContact CE1-CZ3 3.83Å; F107-W125 HydrophobicContact CE1-CZ3 3.83Å; F107-W125 AromaticContact CZ-CH2 3.94Å; F107-W125 HydrophobicContact CZ-CH2 3.94Å; C111-W125 HydrophobicContact CB-CD2 3.61Å; C111-W125 HydrophobicContact CB-CE3 3.96Å; C111-W125 HydrophobicContact CB-CG 4.18Å; C111-W125 HydrophobicContact CB-CH2 3.91Å; C111-W125 HydrophobicContact CB-CZ2 3.56Å; C111-W125 HydrophobicContact CB-CZ3 4.1Å; C111-W125 VanDerWaalsContact SG-CZ2 3.58Å; L112-W125 HydrophobicContact CD2-CB 3.45Å; L112-W125 VanDerWaalsContact CD2-CB 3.45Å; L112-W125 HydrophobicContact CG-CB 3.81Å; F115-W125 AromaticContact CD2-NE1 3.59Å; A121-W125 WeakPolarHBondContact O-CB 3.49Å; A121-W125 PolarHBondContact O-N 3.45Å; V122-W125 PolarHBondContact O-N 3.45Å; I123-W125 PolarHBondContact O-N 2.78Å; W125-F128 HydrophobicContact CE3-CB 4.19Å; W125-F128 HydrophobicContact CE3-CD1 4.09Å; W125-F128 HydrophobicContact CE3-CG 4.23Å; W125-F128 AromaticContact CZ3-CD1 3.93Å; W125-F128 HydrophobicContact CZ3-CD1 3.93Å; W125-F128 HydrophobicContact CZ3-CE1 4.25Å; W125-F128 HydrophobicContact CZ3-CG 4.2Å; W125-N129 VanDerWaalsContact O-CB 3.24Å; W125-N129 WeakPolarHBondContact O-CB 3.4Å; W125-N129 PolarHBondContact O-N 3.44Å
126Q91.9Very high90.3Very high0 Ų044.6 Ų44.60%023%0.229CC..Hα-helixtrans-68.1-45.5170.4-71.4-65.8-3.600111.2L112 V122 I123 F128 N129 Q130 A163 L164 A189L112-Q126 HydrophobicContact CD2-CG 4.16Å; V122-Q126 HydrophobicContact CG1-CG 4.25Å; V122-Q126 WeakPolarHBondContact O-CB 3.07Å; V122-Q126 WeakPolarHBondContact O-CG 3.46Å; V122-Q126 PolarHBondContact O-N 2.88Å; I123-Q126 PolarHBondContact O-N 2.85Å; Q126-F128 VanDerWaalsContact C-N 3.34Å; Q126-F128 PolarHBondContact O-N 3.42Å; Q126-N129 PolarHBondContact O-N 2.99Å; Q126-Q130 WeakPolarHBondContact O-CG 3.3Å; Q126-Q130 PolarHBondContact O-N 3.2Å; Q126-A163 HydrophobicContact CB-CB 4.38Å; Q126-L164 HydrophobicContact CB-CD2 3.71Å; Q126-L164 HydrophobicContact CB-CG 4.44Å; Q126-L164 HydrophobicContact CG-CD2 4.34Å; Q126-A189 VanDerWaalsContact NE2-CB 3.3Å
127W94.1Very high90.3Very high106 Ų10646 Ų4640%0.40224%0.238SC..Hα-helixtrans-58.3-46.6173164.973.1000111.8I123 F124 N129 Q130 T131 Y156I123-W127 WeakPolarHBondContact O-CB 3.45Å; I123-W127 PolarHBondContact O-N 3.39Å; F124-W127 AromaticContact CD2-CE3 3.97Å; F124-W127 HydrophobicContact CD2-CE3 3.97Å; F124-W127 HydrophobicContact CD2-CZ3 4.04Å; F124-W127 HydrophobicContact CE2-CE3 4.03Å; F124-W127 AromaticContact CE2-CZ3 3.64Å; F124-W127 HydrophobicContact CE2-CZ3 3.64Å; F124-W127 HydrophobicContact CZ-CZ3 4.36Å; F124-W127 PolarHBondContact O-N 2.96Å; W127-N129 VanDerWaalsContact C-N 3.35Å; W127-N129 PolarHBondContact O-N 3.41Å; W127-Q130 PolarHBondContact O-N 2.9Å; W127-T131 PolarHBondContact NE1-OG1 3.34Å; W127-T131 WeakPolarHBondContact O-CB 3.46Å; W127-T131 PolarHBondContact O-N 3.23Å; W127-T131 PolarHBondContact O-OG1 3.2Å; W127-Y156 PolarHBondContact NE1-OH 2.87Å
128F94.9Very high90.5Very high70 Ų7043.3 Ų43.331%0.30722%0.224SC..Hα-helixtrans-63.7-40.6179.5-170.6-86.3000111.5I108 F124 W125 Q126 T131 F132I108-F128 HydrophobicContact CD1-CD1 3.82Å; I108-F128 HydrophobicContact CD1-CE1 3.81Å; I108-F128 HydrophobicContact CG1-CD1 3.67Å; I108-F128 HydrophobicContact CG1-CE1 3.7Å; F124-F128 HydrophobicContact CZ-CD2 4.23Å; F124-F128 VanDerWaalsContact O-CB 3.28Å; F124-F128 WeakPolarHBondContact O-CB 3.32Å; F124-F128 PolarHBondContact O-N 3.26Å; W125-F128 HydrophobicContact CE3-CB 4.19Å; W125-F128 HydrophobicContact CE3-CD1 4.09Å; W125-F128 HydrophobicContact CE3-CG 4.23Å; W125-F128 AromaticContact CZ3-CD1 3.93Å; W125-F128 HydrophobicContact CZ3-CD1 3.93Å; W125-F128 HydrophobicContact CZ3-CE1 4.25Å; W125-F128 HydrophobicContact CZ3-CG 4.2Å; Q126-F128 VanDerWaalsContact C-N 3.34Å; Q126-F128 PolarHBondContact O-N 3.42Å; F128-T131 PolarHBondContact O-N 3.43Å; F128-F132 WeakPolarHBondContact O-CB 3.16Å; F128-F132 PolarHBondContact O-N 3.47Å
129N92Very high90.3Very high7 Ų741.7 Ų41.74%0.03721%0.212CC..Hα-helixtrans-58.6-47.7174.3-174.541.8000112.3I108 W125 Q126 W127 T131 F132 N133I108-N129 HydrophobicContact CG2-CB 3.6Å; W125-N129 VanDerWaalsContact O-CB 3.24Å; W125-N129 WeakPolarHBondContact O-CB 3.4Å; W125-N129 PolarHBondContact O-N 3.44Å; Q126-N129 PolarHBondContact O-N 2.99Å; W127-N129 VanDerWaalsContact C-N 3.35Å; W127-N129 PolarHBondContact O-N 3.41Å; N129-T131 VanDerWaalsContact C-N 3.33Å; N129-F132 PolarHBondContact O-N 3.22Å; N129-N133 PolarHBondContact O-N 3.37Å; N129-N133 PolarHBondContact O-ND2 3.3Å; N129-N133 PolarHBondContact OD1-ND2 3.39Å
130Q91.9Very high90Very high5 Ų541.1 Ų41.12%0.02321%0.207CC..Hα-helixtrans-70.3-33.7179.8-62.5-50.196.200112.1Q126 W127 N133 A134 Y156 T160Q126-Q130 WeakPolarHBondContact O-CG 3.3Å; Q126-Q130 PolarHBondContact O-N 3.2Å; W127-Q130 PolarHBondContact O-N 2.9Å; Q130-N133 PolarHBondContact O-N 3.46Å; Q130-A134 VanDerWaalsContact O-CB 3.31Å; Q130-A134 WeakPolarHBondContact O-CB 3.35Å; Q130-A134 PolarHBondContact O-N 2.83Å; Q130-Y156 HydrophobicContact CB-CD2 4.06Å; Q130-Y156 HydrophobicContact CB-CE2 4.05Å; Q130-T160 VanDerWaalsContact CB-OG1 3.24Å; Q130-T160 WeakPolarHBondContact CB-OG1 3.39Å
131T93.5Very high89.3Confident43 Ų4341.2 Ų41.226%0.26420%0.195SC..Hα-helixtrans-62.8-46.8173.4-57.60000110.5W127 F128 N129 N133 A134 V135 Y156W127-T131 PolarHBondContact NE1-OG1 3.34Å; W127-T131 WeakPolarHBondContact O-CB 3.46Å; W127-T131 PolarHBondContact O-N 3.23Å; W127-T131 PolarHBondContact O-OG1 3.2Å; F128-T131 PolarHBondContact O-N 3.43Å; N129-T131 VanDerWaalsContact C-N 3.33Å; T131-N133 PolarHBondContact O-N 3.27Å; T131-A134 PolarHBondContact O-N 3.1Å; T131-V135 WeakPolarHBondContact O-CG2 3.5Å; T131-V135 PolarHBondContact O-N 3.44Å; T131-Y156 PolarHBondContact OG1-OH 2.98Å
132F92.9Very high87.9Confident15 Ų1543 Ų437%0.06621%0.206CC..Hα-helixtrans-58.6-49.9176.5179.5-106.2000111.9I95 F100 I108 F128 N129 A134 V135 V136I95-F132 VanDerWaalsContact O-CE2 3.3Å; I95-F132 WeakPolarHBondContact O-CE2 3.08Å; F100-F132 AromaticContact CD1-CE2 3.7Å; F100-F132 HydrophobicContact CD1-CE2 3.7Å; F100-F132 AromaticContact CD1-CZ 3.93Å; F100-F132 HydrophobicContact CD1-CZ 3.93Å; F100-F132 AromaticContact CE1-CE2 3.92Å; F100-F132 HydrophobicContact CE1-CE2 3.92Å; F100-F132 HydrophobicContact CE1-CZ 4.42Å; I108-F132 HydrophobicContact CD1-CB 3.64Å; I108-F132 HydrophobicContact CD1-CD1 3.75Å; I108-F132 HydrophobicContact CD1-CD2 4.38Å; I108-F132 HydrophobicContact CD1-CG 3.65Å; F128-F132 WeakPolarHBondContact O-CB 3.16Å; F128-F132 PolarHBondContact O-N 3.47Å; N129-F132 PolarHBondContact O-N 3.22Å; F132-A134 VanDerWaalsContact C-N 3.31Å; F132-A134 PolarHBondContact O-N 2.96Å; F132-V135 PolarHBondContact O-N 2.82Å; F132-V136 HydrophobicContact CD1-CG2 4.43Å; F132-V136 HydrophobicContact CE1-CG2 4.01Å; F132-V136 HydrophobicContact CE2-CG2 4.23Å; F132-V136 HydrophobicContact CZ-CG2 3.9Å; F132-V136 WeakPolarHBondContact O-CG2 3.24Å; F132-V136 PolarHBondContact O-N 2.85Å
133N88.9Confident86.4Confident28 Ų2844.5 Ų44.515%0.1522%0.224CC..Hα-helixtrans-62.4-37.2177.7-75.2-65.1000112.4N129 Q130 T131 V136 N137N129-N133 PolarHBondContact O-N 3.37Å; N129-N133 PolarHBondContact O-ND2 3.3Å; N129-N133 PolarHBondContact OD1-ND2 3.39Å; Q130-N133 PolarHBondContact O-N 3.46Å; T131-N133 PolarHBondContact O-N 3.27Å; N133-V136 PolarHBondContact O-N 3.4Å; N133-N137 WeakPolarHBondContact O-CB 3.44Å; N133-N137 VanDerWaalsContact O-CG 3.23Å; N133-N137 PolarHBondContact O-N 2.87Å; N133-N137 PolarHBondContact O-ND2 3.43Å
134A88.7Confident84.6Confident15 Ų1548.7 Ų48.712%0.12425%0.247CC..Hα-helixtrans-64.7-40.5175.500000112.1Q130 T131 F132 N137 Y138 L152 Y156Q130-A134 VanDerWaalsContact O-CB 3.31Å; Q130-A134 WeakPolarHBondContact O-CB 3.35Å; Q130-A134 PolarHBondContact O-N 2.83Å; T131-A134 PolarHBondContact O-N 3.1Å; F132-A134 VanDerWaalsContact C-N 3.31Å; F132-A134 PolarHBondContact O-N 2.96Å; A134-N137 PolarHBondContact O-N 3.33Å; A134-Y138 VanDerWaalsContact O-CB 3.31Å; A134-Y138 WeakPolarHBondContact O-CB 3.4Å; A134-Y138 PolarHBondContact O-N 3.26Å; A134-L152 HydrophobicContact CB-CD1 4.31Å; A134-Y156 HydrophobicContact CB-CD2 4.02Å; A134-Y156 HydrophobicContact CB-CG 4.49Å
135V89.6Confident82.7Confident38 Ų3847.6 Ų47.623%0.2326%0.256CS..Hα-helixtrans-64.4-44.3175.6172.10000111.3I93 I95 T131 F132 Y138 T139I93-V135 HydrophobicContact CD1-CG1 3.61Å; I95-V135 HydrophobicContact CD1-CG1 3.91Å; I95-V135 HydrophobicContact CG1-CG1 3.94Å; T131-V135 WeakPolarHBondContact O-CG2 3.5Å; T131-V135 PolarHBondContact O-N 3.44Å; F132-V135 PolarHBondContact O-N 2.82Å; V135-Y138 PolarHBondContact O-N 3.32Å; V135-T139 WeakPolarHBondContact O-CB 3.34Å; V135-T139 PolarHBondContact O-N 3.39Å; V135-T139 PolarHBondContact O-OG1 2.79Å
136V88Confident81.1Confident4 Ų449.8 Ų49.82%0.02427%0.274CS..Hα-helixtrans-59.7-48.8174.9173.20000110.1M98 F132 N133 Y138 T139 N140M98-V136 HydrophobicContact SD-CG1 4.38Å; F132-V136 HydrophobicContact CD1-CG2 4.43Å; F132-V136 HydrophobicContact CE1-CG2 4.01Å; F132-V136 HydrophobicContact CE2-CG2 4.23Å; F132-V136 HydrophobicContact CZ-CG2 3.9Å; F132-V136 WeakPolarHBondContact O-CG2 3.24Å; F132-V136 PolarHBondContact O-N 2.85Å; N133-V136 PolarHBondContact O-N 3.4Å; V136-Y138 PolarHBondContact O-N 3.02Å; V136-T139 PolarHBondContact O-N 3.23Å; V136-N140 PolarHBondContact O-N 3.35Å; V136-N140 PolarHBondContact O-ND2 3.48Å
137N84.2Confident80Confident49 Ų4952.4 Ų52.426%0.26229%0.287SS..Hα-helixtrans-63.3-39178.9-71.6-13.5000112.9N133 A134 T139 R141 L152 M201N133-N137 WeakPolarHBondContact O-CB 3.44Å; N133-N137 VanDerWaalsContact O-CG 3.23Å; N133-N137 PolarHBondContact O-N 2.87Å; N133-N137 PolarHBondContact O-ND2 3.43Å; A134-N137 PolarHBondContact O-N 3.33Å; N137-T139 VanDerWaalsContact C-N 3.34Å; N137-R141 PolarHBondContact O-N 2.85Å; N137-L152 HydrophobicContact CB-CD1 3.91Å; N137-M201 HydrophobicContact CB-CE 3.82Å
138Y85Confident79.3Confident107 Ų10749.8 Ų49.842%0.4229%0.285SS..Hα-helixtrans-65.2-38.5175.7179.9-100.5000112.2A134 V135 V136 R141 L149 L152A134-Y138 VanDerWaalsContact O-CB 3.31Å; A134-Y138 WeakPolarHBondContact O-CB 3.4Å; A134-Y138 PolarHBondContact O-N 3.26Å; V135-Y138 PolarHBondContact O-N 3.32Å; V136-Y138 PolarHBondContact O-N 3.02Å; Y138-R141 WeakPolarHBondContact O-CD 3.24Å; Y138-R141 WeakPolarHBondContact O-CG 3.47Å; Y138-R141 PolarHBondContact O-NE 2.9Å; Y138-R141 PolarHBondContact OH-NH2 2.79Å; Y138-L149 HydrophobicContact CD2-CD1 4.13Å; Y138-L149 HydrophobicContact CE2-CD1 4.01Å; Y138-L152 HydrophobicContact CD2-CD2 3.97Å; Y138-L152 HydrophobicContact CG-CD2 4.33Å
139T83.8Confident78.8Confident17 Ų1752 Ų5210%0.10430%0.299CS..Hα-helixtrans-74.2-34.1-177.1-54.50000112.3H85 M92 I93 V135 V136 N137H85-T139 PolarHBondContact CD2-O 2.84Å; M92-T139 HydrophobicContact CB-CG2 3.62Å; M92-T139 HydrophobicContact CG-CG2 3.82Å; M92-T139 HydrophobicContact SD-CG2 4.07Å; I93-T139 WeakPolarHBondContact CD1-OG1 3.49Å; I93-T139 HydrophobicContact CG1-CG2 3.76Å; I93-T139 VanDerWaalsContact CG1-OG1 3.32Å; I93-T139 WeakPolarHBondContact CG1-OG1 3.41Å; V135-T139 WeakPolarHBondContact O-CB 3.34Å; V135-T139 PolarHBondContact O-N 3.39Å; V135-T139 PolarHBondContact O-OG1 2.79Å; V136-T139 PolarHBondContact O-N 3.23Å; N137-T139 VanDerWaalsContact C-N 3.34Å
140N80.3Confident78.5Confident52 Ų5256.2 Ų56.228%0.27833%0.325SS..THydrogen-bonded Turntrans-98.516.9-178.4-61.6-90.7000112.9G96 V136 S142G96-N140 PolarHBondContact O-ND2 2.86Å; V136-N140 PolarHBondContact O-N 3.35Å; V136-N140 PolarHBondContact O-ND2 3.48Å; N140-S142 PolarHBondContact O-N 2.81Å
141R76.5Confident78.3Confident93 Ų9360 Ų6035%0.35134%0.339SS..  trans-70.4129178.670.9-167.9171122.43109.7H85 N137 Y138 G143H85-R141 PolarHBondContact CE1-O 3.46Å; H85-R141 PolarHBondContact NE2-O 3.02Å; N137-R141 PolarHBondContact O-N 2.85Å; Y138-R141 WeakPolarHBondContact O-CD 3.24Å; Y138-R141 WeakPolarHBondContact O-CG 3.47Å; Y138-R141 PolarHBondContact O-NE 2.9Å; Y138-R141 PolarHBondContact OH-NH2 2.79Å; R141-G143 PolarHBondContact O-N 3.5Å
142S62.3Low78Confident54 Ų5458.8 Ų58.838%0.37833%0.331SS..  trans-56.3141.4175.9-62.20000111.9D87 N140 P146D87-S142 WeakPolarHBondContact OD2-CA 3.22Å; D87-S142 VanDerWaalsContact OD2-CB 3.32Å; D87-S142 WeakPolarHBondContact OD2-CB 3.47Å; N140-S142 PolarHBondContact O-N 2.81Å; S142-P146 WeakPolarHBondContact O-CA 3.22Å
143G56.1Low77.9Confident39 Ų3959.6 Ų59.640%0.40234%0.344SS..SBendtrans-67.3-39.3174.400000111.6D87 R141D87-G143 PolarHBondContact OD2-N 3.37Å; R141-G143 PolarHBondContact O-N 3.5Å
144D52.4Low78Confident155 Ų15562.4 Ų62.483%0.82936%0.358SS*.SBendtrans-90.4-17.6-173.9-66.2-23.4000114.1
145A56.7Low78.1Confident73 Ų7361.7 Ų61.760%0.60335%0.353SS*.SBendtrans-135.162.6177.300000111I147A145-I147 PolarHBondContact O-N 2.8Å
146P59.8Low78.2Confident76 Ų7663 Ų6349%0.49435%0.354SS..PPolyproline II helixtrans-67.3132.4-168.525.1-33000111.7S142 S148S142-P146 WeakPolarHBondContact O-CA 3.22Å; P146-S148 PolarHBondContact O-N 3.4Å; P146-S148 VanDerWaalsContact O-N 3.13Å
147I68.3Low78.6Confident54 Ų5467.3 Ų67.328%0.27738%0.38SS..PPolyproline II helixtrans-61.7117.8163.5-54.5175.1000106.7A145 L149 R151 M201A145-I147 PolarHBondContact O-N 2.8Å; I147-L149 PolarHBondContact O-N 3.38Å; I147-R151 HydrophobicContact CG2-CB 4.39Å; I147-M201 HydrophobicContact CB-CE 4.45Å; I147-M201 HydrophobicContact CD1-CE 3.46Å; I147-M201 VanDerWaalsContact CD1-CE 3.46Å; I147-M201 HydrophobicContact CG1-CE 4.42Å; I147-M201 HydrophobicContact CG2-CE 3.62Å; I147-M201 HydrophobicContact CG2-SD 4.3Å
148S80.2Confident79.1Confident51 Ų5169.3 Ų69.336%0.35739%0.39SS..PPolyproline II helixtrans-53131175.7170.50000110.1P146 T150 R151 L152P146-S148 PolarHBondContact O-N 3.4Å; P146-S148 VanDerWaalsContact O-N 3.13Å; S148-T150 PolarHBondContact O-N 2.89Å; S148-T150 VanDerWaalsContact O-N 3.14Å; S148-T150 WeakPolarHBondContact OG-CB 3.36Å; S148-T150 PolarHBondContact OG-N 3.29Å; S148-R151 WeakPolarHBondContact O-CA 3.34Å; S148-R151 WeakPolarHBondContact O-CB 3.29Å; S148-R151 PolarHBondContact O-N 3.46Å; S148-L152 PolarHBondContact O-N 2.86Å
149L83.2Confident79.5Confident116 Ų11664.2 Ų64.261%0.60737%0.37SS*.Hα-helixtrans-55.7-32.8177.2-171.566.7000111.2Y138 I147 L152 G153Y138-L149 HydrophobicContact CD2-CD1 4.13Å; Y138-L149 HydrophobicContact CE2-CD1 4.01Å; I147-L149 PolarHBondContact O-N 3.38Å; L149-L152 HydrophobicContact CD1-CD2 4.26Å; L149-L152 PolarHBondContact O-N 3.13Å; L149-G153 PolarHBondContact O-N 2.9Å
150T86.6Confident79.9Confident96 Ų9664.1 Ų64.159%0.58937%0.369SS*.Hα-helixtrans-61.9-46173-49.50000111.6S148 G153 I154S148-T150 PolarHBondContact O-N 2.89Å; S148-T150 VanDerWaalsContact O-N 3.14Å; S148-T150 WeakPolarHBondContact OG-CB 3.36Å; S148-T150 PolarHBondContact OG-N 3.29Å; T150-G153 PolarHBondContact O-N 3.46Å; T150-I154 HydrophobicContact CG2-CD1 3.93Å; T150-I154 WeakPolarHBondContact O-CB 3.4Å; T150-I154 VanDerWaalsContact O-CG1 3.27Å; T150-I154 WeakPolarHBondContact O-CG1 3.42Å; T150-I154 PolarHBondContact O-N 2.69Å
151R86.8Confident80.6Confident84 Ų8463.7 Ų63.732%0.31738%0.378SS..Hα-helixtrans-64.4-41.7177.1-70.9-179.2-179.6167.5-2.8111.4I147 S148 I154 S155 A204 E208I147-R151 HydrophobicContact CG2-CB 4.39Å; S148-R151 WeakPolarHBondContact O-CA 3.34Å; S148-R151 WeakPolarHBondContact O-CB 3.29Å; S148-R151 PolarHBondContact O-N 3.46Å; R151-I154 PolarHBondContact O-N 2.93Å; R151-S155 VanDerWaalsContact O-CB 3.25Å; R151-S155 WeakPolarHBondContact O-CB 3.38Å; R151-S155 PolarHBondContact O-N 3.46Å; R151-A204 VanDerWaalsContact NH1-CB 3.34Å; R151-E208 IonicContact NH2-OE1 3.95Å; R151-E208 PolarHBondContact NH2-OE1 2.66Å
152L87.4Confident81.4Confident18 Ų1860 Ų609%0.09437%0.369CS..Hα-helixtrans-59.8-46.8174.3-179.370.3000111.3A134 N137 Y138 S148 L149 S155 Y156 M201A134-L152 HydrophobicContact CB-CD1 4.31Å; N137-L152 HydrophobicContact CB-CD1 3.91Å; Y138-L152 HydrophobicContact CD2-CD2 3.97Å; Y138-L152 HydrophobicContact CG-CD2 4.33Å; S148-L152 PolarHBondContact O-N 2.86Å; L149-L152 HydrophobicContact CD1-CD2 4.26Å; L149-L152 PolarHBondContact O-N 3.13Å; L152-S155 PolarHBondContact O-N 3.01Å; L152-Y156 VanDerWaalsContact O-CB 3.28Å; L152-Y156 WeakPolarHBondContact O-CB 3.48Å; L152-Y156 PolarHBondContact O-N 3.21Å; L152-M201 HydrophobicContact CB-SD 4.39Å; L152-M201 HydrophobicContact CD1-CE 3.71Å; L152-M201 HydrophobicContact CD1-SD 3.71Å
153G91Very high82.8Confident33 Ų3357.5 Ų57.534%0.3435%0.351SS..Hα-helixtrans-62.8-45.9178.500000112.9L149 T150 Y156 V157L149-G153 PolarHBondContact O-N 2.9Å; T150-G153 PolarHBondContact O-N 3.46Å; G153-Y156 PolarHBondContact O-N 2.98Å; G153-V157 WeakPolarHBondContact O-CG2 3.41Å; G153-V157 PolarHBondContact O-N 3.48Å
154I92.2Very high84.5Confident86 Ų8657.3 Ų57.344%0.44134%0.341SS..Hα-helixtrans-61.6-48.7175.9-68.1168.1000110.2T150 R151 Y156 V157 L158T150-I154 HydrophobicContact CG2-CD1 3.93Å; T150-I154 WeakPolarHBondContact O-CB 3.4Å; T150-I154 VanDerWaalsContact O-CG1 3.27Å; T150-I154 WeakPolarHBondContact O-CG1 3.42Å; T150-I154 PolarHBondContact O-N 2.69Å; R151-I154 PolarHBondContact O-N 2.93Å; I154-Y156 VanDerWaalsContact C-N 3.3Å; I154-Y156 PolarHBondContact O-N 3.42Å; I154-V157 PolarHBondContact O-N 3.41Å; I154-L158 HydrophobicContact CG2-CD1 3.64Å; I154-L158 HydrophobicContact CG2-CG 4.12Å; I154-L158 WeakPolarHBondContact O-CB 3.23Å; I154-L158 VanDerWaalsContact O-CG 3.31Å; I154-L158 WeakPolarHBondContact O-CG 3.22Å; I154-L158 PolarHBondContact O-N 2.91Å
155S90.2Very high86.5Confident1 Ų151.7 Ų51.71%0.00732%0.319CS..Hα-helixtrans-57.4-45177.7176.80000111.5R151 L152 A159 N197 C200 M201R151-S155 VanDerWaalsContact O-CB 3.25Å; R151-S155 WeakPolarHBondContact O-CB 3.38Å; R151-S155 PolarHBondContact O-N 3.46Å; L152-S155 PolarHBondContact O-N 3.01Å; S155-A159 WeakPolarHBondContact O-CB 3.15Å; S155-A159 PolarHBondContact O-N 3.28Å; S155-N197 WeakPolarHBondContact OG-CA 3.35Å; S155-N197 VanDerWaalsContact OG-CG 3.27Å; S155-N197 PolarHBondContact OG-O 2.88Å; S155-N197 PolarHBondContact OG-OD1 3.27Å; S155-C200 VanDerWaalsContact CA-SG 3.56Å; S155-M201 WeakPolarHBondContact OG-CG 3.27Å
156Y92.3Very high88.2Confident64 Ų6449.9 Ų49.925%0.25130%0.3SS..Hα-helixtrans-60.6-48.4177.5167.4-104.1000112.3W127 Q130 T131 A134 L152 G153 I154 T160W127-Y156 PolarHBondContact NE1-OH 2.87Å; Q130-Y156 HydrophobicContact CB-CD2 4.06Å; Q130-Y156 HydrophobicContact CB-CE2 4.05Å; T131-Y156 PolarHBondContact OG1-OH 2.98Å; A134-Y156 HydrophobicContact CB-CD2 4.02Å; A134-Y156 HydrophobicContact CB-CG 4.49Å; L152-Y156 VanDerWaalsContact O-CB 3.28Å; L152-Y156 WeakPolarHBondContact O-CB 3.48Å; L152-Y156 PolarHBondContact O-N 3.21Å; G153-Y156 PolarHBondContact O-N 2.98Å; I154-Y156 VanDerWaalsContact C-N 3.3Å; I154-Y156 PolarHBondContact O-N 3.42Å; Y156-T160 WeakPolarHBondContact O-CB 3.42Å; Y156-T160 PolarHBondContact O-N 3.46Å; Y156-T160 PolarHBondContact O-OG1 3.23Å
157V95Very high89.6Confident95 Ų9546.2 Ų46.258%0.57628%0.277SS*.Hα-helixtrans-62.9-49.3178.7171.20000110.9G153 I154 T160 G161G153-V157 WeakPolarHBondContact O-CG2 3.41Å; G153-V157 PolarHBondContact O-N 3.48Å; I154-V157 PolarHBondContact O-N 3.41Å; V157-T160 PolarHBondContact O-N 3.33Å; V157-G161 PolarHBondContact O-N 3.15Å
158L95.2Very high90.6Very high92 Ų9246.2 Ų46.248%0.48228%0.277SS..Hα-helixtrans-65.8-42.7-178.2-68.3179.7000112I154 G161 G162 I196I154-L158 HydrophobicContact CG2-CD1 3.64Å; I154-L158 HydrophobicContact CG2-CG 4.12Å; I154-L158 WeakPolarHBondContact O-CB 3.23Å; I154-L158 VanDerWaalsContact O-CG 3.31Å; I154-L158 WeakPolarHBondContact O-CG 3.22Å; I154-L158 PolarHBondContact O-N 2.91Å; L158-G161 PolarHBondContact O-N 2.83Å; L158-G162 PolarHBondContact O-N 2.89Å; L158-I196 HydrophobicContact CB-CG2 3.6Å
159A92.9Very high91.1Very high0 Ų047.4 Ų47.40%028%0.282CS..Hα-helixtrans-72.3-34.8-179.300000111.8S155 A163 I196 N197S155-A159 WeakPolarHBondContact O-CB 3.15Å; S155-A159 PolarHBondContact O-N 3.28Å; A159-A163 WeakPolarHBondContact O-CB 3.27Å; A159-A163 PolarHBondContact O-N 2.92Å; A159-I196 HydrophobicContact CB-CB 4.46Å; A159-I196 HydrophobicContact CB-CG2 4.26Å; A159-N197 HydrophobicContact CB-CB 3.71Å
160T93.1Very high91.3Very high14 Ų1443.3 Ų43.39%0.08626%0.261CS..Hα-helixtrans-65.6-47.5171.4-55.90000110.6Q130 Y156 V157 G162 A163 L164Q130-T160 VanDerWaalsContact CB-OG1 3.24Å; Q130-T160 WeakPolarHBondContact CB-OG1 3.39Å; Y156-T160 WeakPolarHBondContact O-CB 3.42Å; Y156-T160 PolarHBondContact O-N 3.46Å; Y156-T160 PolarHBondContact O-OG1 3.23Å; V157-T160 PolarHBondContact O-N 3.33Å; T160-G162 VanDerWaalsContact C-N 3.35Å; T160-G162 PolarHBondContact O-N 2.88Å; T160-A163 PolarHBondContact O-N 3.49Å; T160-L164 HydrophobicContact CG2-CD1 3.86Å; T160-L164 HydrophobicContact CG2-CG 4.31Å; T160-L164 WeakPolarHBondContact O-CB 3.46Å; T160-L164 VanDerWaalsContact O-CG 3.22Å; T160-L164 WeakPolarHBondContact O-CG 3.46Å; T160-L164 PolarHBondContact O-N 2.99Å
161G94.8Very high91.2Very high44 Ų4439.6 Ų39.645%0.45424%0.237SC..Hα-helixtrans-59.7-43.7176.100000112.5V157 L158 G165V157-G161 PolarHBondContact O-N 3.15Å; L158-G161 PolarHBondContact O-N 2.83Å; G161-G165 WeakPolarHBondContact O-CA 3.22Å; G161-G165 PolarHBondContact O-N 3.21Å
162G93.5Very high91Very high16 Ų1643.1 Ų43.117%0.16526%0.255CS..Hα-helixtrans-63.3-48.5175.200000112.5L158 T160 L164 G165 T166L158-G162 PolarHBondContact O-N 2.89Å; T160-G162 VanDerWaalsContact C-N 3.35Å; T160-G162 PolarHBondContact O-N 2.88Å; G162-L164 PolarHBondContact O-N 3.42Å; G162-G165 PolarHBondContact O-N 3.05Å; G162-T166 WeakPolarHBondContact O-CB 3.45Å; G162-T166 PolarHBondContact O-N 3.11Å; G162-T166 PolarHBondContact O-OG1 3.1Å
163A91.1Very high91Very high0 Ų048 Ų480%028%0.277CS..Hα-helixtrans-58.4-48.1177.400000111.9Q126 A159 T160 A167 A193Q126-A163 HydrophobicContact CB-CB 4.38Å; A159-A163 WeakPolarHBondContact O-CB 3.27Å; A159-A163 PolarHBondContact O-N 2.92Å; T160-A163 PolarHBondContact O-N 3.49Å; A163-A167 WeakPolarHBondContact O-CB 3.26Å; A163-A167 PolarHBondContact O-N 3.4Å; A163-A193 HydrophobicContact CB-CB 3.89Å
164L93Very high90.6Very high36 Ų3647.3 Ų47.319%0.18827%0.267CS..Hα-helixtrans-67.2-45.7179.2-67.9177.7000111.6I123 Q126 T160 G162 T166 A167 L168I123-L164 HydrophobicContact CB-CD2 4.09Å; I123-L164 HydrophobicContact CG1-CD2 4.11Å; I123-L164 HydrophobicContact CG2-CD2 4.02Å; Q126-L164 HydrophobicContact CB-CD2 3.71Å; Q126-L164 HydrophobicContact CB-CG 4.44Å; Q126-L164 HydrophobicContact CG-CD2 4.34Å; T160-L164 HydrophobicContact CG2-CD1 3.86Å; T160-L164 HydrophobicContact CG2-CG 4.31Å; T160-L164 WeakPolarHBondContact O-CB 3.46Å; T160-L164 VanDerWaalsContact O-CG 3.22Å; T160-L164 WeakPolarHBondContact O-CG 3.46Å; T160-L164 PolarHBondContact O-N 2.99Å; G162-L164 PolarHBondContact O-N 3.42Å; L164-T166 VanDerWaalsContact C-N 3.34Å; L164-T166 PolarHBondContact O-N 3.19Å; L164-A167 PolarHBondContact O-N 3.24Å; L164-L168 VanDerWaalsContact O-CB 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.2Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 3.17Å
165G93.5Very high89.9Confident36 Ų3650.7 Ų50.737%0.37128%0.28SS..Hα-helixtrans-57.3-47.7177.400000111.5G161 G162 T169G161-G165 WeakPolarHBondContact O-CA 3.22Å; G161-G165 PolarHBondContact O-N 3.21Å; G162-G165 PolarHBondContact O-N 3.05Å; G165-T169 WeakPolarHBondContact O-CB 3.12Å; G165-T169 PolarHBondContact O-N 3.02Å; G165-T169 VanDerWaalsContact O-N 3.08Å; G165-T169 PolarHBondContact O-OG1 2.93Å
166T91.5Very high89.4Confident35 Ų3560.1 Ų60.122%0.21532%0.321CS..Hα-helixtrans-64.4-50.7175.4-61.10000111.7G162 L164 L168 T169 I170 I188 A189 A192G162-T166 WeakPolarHBondContact O-CB 3.45Å; G162-T166 PolarHBondContact O-N 3.11Å; G162-T166 PolarHBondContact O-OG1 3.1Å; L164-T166 VanDerWaalsContact C-N 3.34Å; L164-T166 PolarHBondContact O-N 3.19Å; T166-L168 PolarHBondContact O-N 3.21Å; T166-T169 PolarHBondContact O-N 3.25Å; T166-I170 HydrophobicContact CG2-CD1 3.54Å; T166-I170 HydrophobicContact CG2-CG1 4.34Å; T166-I170 WeakPolarHBondContact O-CB 3.3Å; T166-I170 VanDerWaalsContact O-CG1 3.26Å; T166-I170 WeakPolarHBondContact O-CG1 3.4Å; T166-I170 PolarHBondContact O-N 3.06Å; T166-I188 HydrophobicContact CG2-CG2 3.84Å; T166-A189 HydrophobicContact CG2-CB 4.34Å; T166-A192 HydrophobicContact CG2-CB 4.15Å
167A89.2Confident89Confident0 Ų062.7 Ų62.70%033%0.334CS..Hα-helixtrans-60.8-46.1-17700000112.3V122 A163 L164 N171 V185 A189V122-A167 HydrophobicContact CG1-CB 3.76Å; A163-A167 WeakPolarHBondContact O-CB 3.26Å; A163-A167 PolarHBondContact O-N 3.4Å; L164-A167 PolarHBondContact O-N 3.24Å; A167-N171 WeakPolarHBondContact O-CB 3.3Å; A167-N171 VanDerWaalsContact O-CG 3.27Å; A167-N171 PolarHBondContact O-N 3.22Å; A167-N171 PolarHBondContact O-ND2 3.41Å; A167-V185 HydrophobicContact CB-CG1 4.21Å; A167-V185 WeakPolarHBondContact O-CG1 3.29Å; A167-A189 HydrophobicContact CB-CB 3.79Å
168L90.5Very high88.2Confident53 Ų5361.8 Ų61.828%0.27733%0.33SS..Hα-helixtrans-70.4-39.4-178.7-65176.4000112.1T119 I123 L164 T166 K172T119-L168 HydrophobicContact CG2-CD2 3.53Å; I123-L168 HydrophobicContact CD1-CD2 4.19Å; I123-L168 HydrophobicContact CG1-CD1 4.48Å; I123-L168 HydrophobicContact CG1-CD2 4.04Å; L164-L168 VanDerWaalsContact O-CB 3.28Å; L164-L168 WeakPolarHBondContact O-CB 3.2Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 3.17Å; T166-L168 PolarHBondContact O-N 3.21Å; L168-K172 WeakPolarHBondContact O-CG 3.28Å; L168-K172 PolarHBondContact O-N 3.22Å; L168-K172 VanDerWaalsContact O-N 3.1Å
169T90.7Very high87.2Confident76 Ų7661.5 Ų61.547%0.46633%0.334SS..Hα-helixtrans-64.6-49.6177.6-59.40000110.7G165 T166 K172 Q173G165-T169 WeakPolarHBondContact O-CB 3.12Å; G165-T169 PolarHBondContact O-N 3.02Å; G165-T169 VanDerWaalsContact O-N 3.08Å; G165-T169 PolarHBondContact O-OG1 2.93Å; T166-T169 PolarHBondContact O-N 3.25Å; T169-K172 PolarHBondContact O-N 3.17Å; T169-Q173 WeakPolarHBondContact O-CG 3.38Å; T169-Q173 PolarHBondContact O-N 2.97Å
170I87.5Confident86.4Confident30 Ų3063.4 Ų63.415%0.15434%0.344CS..Hα-helixtrans-68.1-42.2-179.8-60.6175.1000110.2T166 K172 Q173 V174 V185 I188T166-I170 HydrophobicContact CG2-CD1 3.54Å; T166-I170 HydrophobicContact CG2-CG1 4.34Å; T166-I170 WeakPolarHBondContact O-CB 3.3Å; T166-I170 VanDerWaalsContact O-CG1 3.26Å; T166-I170 WeakPolarHBondContact O-CG1 3.4Å; T166-I170 PolarHBondContact O-N 3.06Å; I170-K172 VanDerWaalsContact C-N 3.27Å; I170-K172 PolarHBondContact O-N 3.01Å; I170-Q173 PolarHBondContact O-N 3.17Å; I170-V174 HydrophobicContact CG2-CG1 3.72Å; I170-V174 WeakPolarHBondContact O-CG1 3.28Å; I170-V174 VanDerWaalsContact O-CG2 3.24Å; I170-V174 WeakPolarHBondContact O-CG2 3.31Å; I170-V174 PolarHBondContact O-N 3.36Å; I170-V185 HydrophobicContact CB-CG1 4.19Å; I170-V185 HydrophobicContact CB-CG2 4.2Å; I170-V185 HydrophobicContact CG2-CB 4.33Å; I170-V185 HydrophobicContact CG2-CG1 4.31Å; I170-V185 HydrophobicContact CG2-CG2 3.48Å; I170-V185 VanDerWaalsContact CG2-CG2 3.48Å; I170-I188 HydrophobicContact CD1-CB 3.88Å; I170-I188 HydrophobicContact CD1-CD1 4.02Å; I170-I188 HydrophobicContact CD1-CG2 3.42Å; I170-I188 VanDerWaalsContact CD1-CG2 3.42Å
171N83.3Confident85.8Confident19 Ų1966 Ų6610%0.10236%0.356CS..Hα-helixtrans-56.3-40.8176.5-88.4-21.2000112.3A167 Q173 Q175 V185A167-N171 WeakPolarHBondContact O-CB 3.3Å; A167-N171 VanDerWaalsContact O-CG 3.27Å; A167-N171 PolarHBondContact O-N 3.22Å; A167-N171 PolarHBondContact O-ND2 3.41Å; N171-Q173 VanDerWaalsContact C-N 3.33Å; N171-Q173 PolarHBondContact O-N 3.35Å; N171-Q175 WeakPolarHBondContact O-CG 3.42Å; N171-V185 WeakPolarHBondContact OD1-CG1 3.34Å; N171-V185 VanDerWaalsContact OD1-CG2 3.31Å; N171-V185 WeakPolarHBondContact OD1-CG2 3.42Å
172K84Confident85.1Confident158 Ų15864.1 Ų64.169%0.68734%0.337SS*.Hα-helixtrans-64.2-38.3175.2-75.2178.8177.5-175.90112.3L168 T169 I170L168-K172 WeakPolarHBondContact O-CG 3.28Å; L168-K172 PolarHBondContact O-N 3.22Å; L168-K172 VanDerWaalsContact O-N 3.1Å; T169-K172 PolarHBondContact O-N 3.17Å; I170-K172 VanDerWaalsContact C-N 3.27Å; I170-K172 PolarHBondContact O-N 3.01Å
173Q85.6Confident84.5Confident120 Ų12065 Ų6556%0.56134%0.336SS*.Hα-helixtrans-73.5-38.7-179.4-68.8174.1-3.700112.6T169 I170 N171 Q175 F177T169-Q173 WeakPolarHBondContact O-CG 3.38Å; T169-Q173 PolarHBondContact O-N 2.97Å; I170-Q173 PolarHBondContact O-N 3.17Å; N171-Q173 VanDerWaalsContact C-N 3.33Å; N171-Q173 PolarHBondContact O-N 3.35Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å; Q173-Q175 PolarHBondContact O-N 2.94Å; Q173-F177 WeakPolarHBondContact O-CD2 3.47Å
174V84.3Confident84.2Confident19 Ų1967.7 Ų67.712%0.11535%0.347CS..Hα-helixtrans-79.1-7-173.8-61.80000114.3I170 K176 F177 I181 V185I170-V174 HydrophobicContact CG2-CG1 3.72Å; I170-V174 WeakPolarHBondContact O-CG1 3.28Å; I170-V174 VanDerWaalsContact O-CG2 3.24Å; I170-V174 WeakPolarHBondContact O-CG2 3.31Å; I170-V174 PolarHBondContact O-N 3.36Å; V174-K176 PolarHBondContact O-N 3.32Å; V174-K176 VanDerWaalsContact O-N 3.12Å; V174-F177 WeakPolarHBondContact O-CB 3.38Å; V174-F177 PolarHBondContact O-N 2.7Å; V174-I181 HydrophobicContact CB-CG2 4.34Å; V174-I181 HydrophobicContact CG1-CG2 3.7Å; V174-V185 HydrophobicContact CG1-CG2 4.43Å; V174-V185 HydrophobicContact CG2-CG2 3.81Å
175Q77.7Confident83.8Confident157 Ų15766 Ų6673%0.73434%0.339SS*.THydrogen-bonded Turntrans-57.7-27.3178.1-77.4176.73.800113.6N171 Q173 F177N171-Q175 WeakPolarHBondContact O-CG 3.42Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å; Q173-Q175 PolarHBondContact O-N 2.94Å; Q175-F177 VanDerWaalsContact C-N 3.34Å
176K79.8Confident83.5Confident199 Ų19964.5 Ų64.587%0.86532%0.322SS*.THydrogen-bonded Turntrans-85.9-7.1178.6-61.1-177.4-179.8-178.50113.5V174V174-K176 PolarHBondContact O-N 3.32Å; V174-K176 VanDerWaalsContact O-N 3.12Å
177F82.4Confident83.4Confident117 Ų11764.5 Ų64.551%0.51332%0.319SS..SBendtrans-104165.7-172.8-73.8-84.9000112Q173 V174 Q175 I181Q173-F177 WeakPolarHBondContact O-CD2 3.47Å; V174-F177 WeakPolarHBondContact O-CB 3.38Å; V174-F177 PolarHBondContact O-N 2.7Å; Q175-F177 VanDerWaalsContact C-N 3.34Å; F177-I181 HydrophobicContact CB-CB 4.13Å; F177-I181 HydrophobicContact CB-CD1 3.95Å; F177-I181 HydrophobicContact CB-CG1 4.33Å; F177-I181 HydrophobicContact CB-CG2 4.45Å; F177-I181 HydrophobicContact CD1-CD1 3.78Å; F177-I181 HydrophobicContact CG-CD1 4.11Å
178P78.1Confident83.5Confident76 Ų7668 Ų6849%0.49434%0.337SS..  trans-54.1143.4173.8-25.834.8000111.6I180 I181P178-I180 HydrophobicContact CB-CG2 4.31Å; P178-I180 PolarHBondContact O-N 2.84Å; P178-I181 PolarHBondContact O-N 3.21Å
179P74.7Confident83.5Confident87 Ų8765.5 Ų65.557%0.56532%0.324SS*.Hα-helixtrans-54-23.7-175.1-29.534.9000115.5Y116 I181 G182 R183Y116-P179 PolarHBondContact OH-O 3.19Å; P179-I181 VanDerWaalsContact C-N 3.33Å; P179-G182 PolarHBondContact O-N 3.04Å; P179-R183 PolarHBondContact O-N 2.85Å
180I76.1Confident83.4Confident40 Ų4062.3 Ų62.321%0.20530%0.304CS..Hα-helixtrans-66.6-33178.2-158.2162000112.7P178 G182 R183 F184 F251P178-I180 HydrophobicContact CB-CG2 4.31Å; P178-I180 PolarHBondContact O-N 2.84Å; I180-G182 VanDerWaalsContact C-N 3.29Å; I180-G182 PolarHBondContact O-N 2.97Å; I180-R183 WeakPolarHBondContact O-CB 3.07Å; I180-R183 PolarHBondContact O-N 3.19Å; I180-R183 VanDerWaalsContact O-N 3.09Å; I180-F184 HydrophobicContact CG1-CE2 4.46Å; I180-F184 VanDerWaalsContact O-CD2 3.24Å; I180-F184 WeakPolarHBondContact O-CD2 3.24Å; I180-F251 HydrophobicContact CD1-CD1 3.66Å; I180-F251 HydrophobicContact CD1-CE1 3.26Å; I180-F251 HydrophobicContact CD1-CZ 3.82Å; I180-F251 HydrophobicContact CG1-CE1 4.36Å; I180-F251 HydrophobicContact CG1-CZ 4.5Å
181I80.8Confident83.7Confident67 Ų6761.6 Ų61.634%0.34430%0.302SS..Hα-helixtrans-65.8-39.6176.4-57.6-162.7000109.6V174 F177 P178 P179 R183 F184V174-I181 HydrophobicContact CB-CG2 4.34Å; V174-I181 HydrophobicContact CG1-CG2 3.7Å; F177-I181 HydrophobicContact CB-CB 4.13Å; F177-I181 HydrophobicContact CB-CD1 3.95Å; F177-I181 HydrophobicContact CB-CG1 4.33Å; F177-I181 HydrophobicContact CB-CG2 4.45Å; F177-I181 HydrophobicContact CD1-CD1 3.78Å; F177-I181 HydrophobicContact CG-CD1 4.11Å; P178-I181 PolarHBondContact O-N 3.21Å; P179-I181 VanDerWaalsContact C-N 3.33Å; I181-R183 PolarHBondContact O-N 3.38Å; I181-F184 PolarHBondContact O-N 2.92Å; I181-F184 VanDerWaalsContact O-N 3.1Å
182G79.8Confident84.2Confident6 Ų661.9 Ų61.96%0.06231%0.307CS..Hα-helixtrans-62.2-26.2173.600000114.1Y116 P179 I180 F184 V185Y116-G182 WeakPolarHBondContact CD2-O 3.22Å; P179-G182 PolarHBondContact O-N 3.04Å; I180-G182 VanDerWaalsContact C-N 3.29Å; I180-G182 PolarHBondContact O-N 2.97Å; G182-F184 PolarHBondContact O-N 2.96Å; G182-V185 WeakPolarHBondContact O-CB 3.48Å; G182-V185 WeakPolarHBondContact O-CG2 3.49Å; G182-V185 PolarHBondContact O-N 3.42Å
183R80.6Confident84.6Confident34 Ų3454.3 Ų54.313%0.12827%0.274CS..THydrogen-bonded Turntrans-70.3-16.7176.3-64.4-175.9178.5-174.7-6.5112.9Y116 P179 I180 I181 P186 P250 E257Y116-R183 HydrophobicContact CE1-CG 4.05Å; Y116-R183 HydrophobicContact CE2-CG 4.07Å; P179-R183 PolarHBondContact O-N 2.85Å; I180-R183 WeakPolarHBondContact O-CB 3.07Å; I180-R183 PolarHBondContact O-N 3.19Å; I180-R183 VanDerWaalsContact O-N 3.09Å; I181-R183 PolarHBondContact O-N 3.38Å; R183-P186 WeakPolarHBondContact O-CD 3.33Å; R183-P250 HydrophobicContact CB-CB 4.01Å; R183-P250 HydrophobicContact CB-CG 4.1Å; R183-P250 HydrophobicContact CG-CB 4.5Å; R183-P250 PolarHBondContact NH1-O 3.09Å; R183-E257 IonicContact CZ-OE2 2.69Å; R183-E257 IonicContact NH1-OE2 2.69Å; R183-E257 IonicContact NH2-OE1 2.9Å; R183-E257 PolarHBondContact NH2-OE1 3.39Å; R183-E257 IonicContact NH2-OE2 3.13Å; R183-E257 PolarHBondContact NH2-OE2 3.37Å
184F84.5Confident84.9Confident56 Ų5650 Ų5025%0.24626%0.255CS..THydrogen-bonded Turntrans-85.7-13.4173.8-67.4-80.3000113.8I180 I181 G182 F187 I188 T247 F251I180-F184 HydrophobicContact CG1-CE2 4.46Å; I180-F184 VanDerWaalsContact O-CD2 3.24Å; I180-F184 WeakPolarHBondContact O-CD2 3.24Å; I181-F184 PolarHBondContact O-N 2.92Å; I181-F184 VanDerWaalsContact O-N 3.1Å; G182-F184 PolarHBondContact O-N 2.96Å; F184-F187 WeakPolarHBondContact O-CB 3.23Å; F184-F187 PolarHBondContact O-N 2.8Å; F184-F187 VanDerWaalsContact O-N 3.11Å; F184-I188 HydrophobicContact CB-CD1 4.46Å; F184-I188 WeakPolarHBondContact O-CG1 2.87Å; F184-I188 PolarHBondContact O-N 2.82Å; F184-T247 HydrophobicContact CD1-CG2 4.13Å; F184-T247 HydrophobicContact CE1-CG2 3.94Å; F184-F251 AromaticContact CZ-CE2 3.97Å; F184-F251 HydrophobicContact CZ-CE2 3.97Å; F184-F251 HydrophobicContact CZ-CZ 4.12Å
185V85.9Confident85.4Confident2 Ų252.2 Ų52.21%0.01227%0.271CS..Hα-helixtrans-55-46.6-179.5178.90000112.2A167 I170 N171 V174 G182 F187 I188 A189A167-V185 HydrophobicContact CB-CG1 4.21Å; A167-V185 WeakPolarHBondContact O-CG1 3.29Å; I170-V185 HydrophobicContact CB-CG1 4.19Å; I170-V185 HydrophobicContact CB-CG2 4.2Å; I170-V185 HydrophobicContact CG2-CB 4.33Å; I170-V185 HydrophobicContact CG2-CG1 4.31Å; I170-V185 HydrophobicContact CG2-CG2 3.48Å; I170-V185 VanDerWaalsContact CG2-CG2 3.48Å; N171-V185 WeakPolarHBondContact OD1-CG1 3.34Å; N171-V185 VanDerWaalsContact OD1-CG2 3.31Å; N171-V185 WeakPolarHBondContact OD1-CG2 3.42Å; V174-V185 HydrophobicContact CG1-CG2 4.43Å; V174-V185 HydrophobicContact CG2-CG2 3.81Å; G182-V185 WeakPolarHBondContact O-CB 3.48Å; G182-V185 WeakPolarHBondContact O-CG2 3.49Å; G182-V185 PolarHBondContact O-N 3.42Å; V185-F187 VanDerWaalsContact C-N 3.3Å; V185-F187 PolarHBondContact O-N 3.4Å; V185-I188 PolarHBondContact O-N 2.68Å; V185-A189 WeakPolarHBondContact O-CB 3.22Å; V185-A189 PolarHBondContact O-N 3.25Å
186P85.7Confident86.2Confident4 Ų447.4 Ų47.43%0.02625%0.249CC..Hα-helixtrans-58.8-41.2177.9-25.236.5000112.9L112 L113 R183 A189 V190L112-P186 HydrophobicContact CB-CB 4.2Å; L113-P186 HydrophobicContact CD2-CG 4.45Å; R183-P186 WeakPolarHBondContact O-CD 3.33Å; P186-A189 PolarHBondContact O-N 3.47Å; P186-V190 WeakPolarHBondContact O-CB 3.49Å; P186-V190 VanDerWaalsContact O-CG2 3.27Å; P186-V190 WeakPolarHBondContact O-CG2 3.45Å; P186-V190 PolarHBondContact O-N 2.92Å
187F89.3Confident86.6Confident35 Ų3538.7 Ų38.715%0.15421%0.212CC..Hα-helixtrans-62.2-46.8178.3175.5-115.9000112.3F184 V185 A189 V190 S191 I239 A242 S243 M246 T247F184-F187 WeakPolarHBondContact O-CB 3.23Å; F184-F187 PolarHBondContact O-N 2.8Å; F184-F187 VanDerWaalsContact O-N 3.11Å; V185-F187 VanDerWaalsContact C-N 3.3Å; V185-F187 PolarHBondContact O-N 3.4Å; F187-A189 VanDerWaalsContact C-N 3.34Å; F187-A189 PolarHBondContact O-N 2.88Å; F187-V190 PolarHBondContact O-N 3.43Å; F187-S191 WeakPolarHBondContact O-CB 3.36Å; F187-S191 PolarHBondContact O-N 3.43Å; F187-S191 PolarHBondContact O-OG 3.01Å; F187-I239 HydrophobicContact CE2-CG2 4.2Å; F187-I239 HydrophobicContact CZ-CG2 3.93Å; F187-A242 HydrophobicContact CD2-CB 4.44Å; F187-A242 HydrophobicContact CE2-CB 4.41Å; F187-S243 VanDerWaalsContact CE2-CA 3.48Å; F187-M246 VanDerWaalsContact CA-SD 3.6Å; F187-M246 HydrophobicContact CB-CB 3.75Å; F187-M246 HydrophobicContact CB-SD 4.07Å; F187-M246 HydrophobicContact CD2-CB 4.1Å; F187-M246 HydrophobicContact CD2-SD 4.22Å; F187-M246 HydrophobicContact CG-CB 4.26Å; F187-T247 HydrophobicContact CD1-CG2 3.96Å; F187-T247 HydrophobicContact CE1-CG2 4.13Å; F187-T247 HydrophobicContact CG-CG2 4.15Å; F187-T247 HydrophobicContact CZ-CG2 4.5Å
188I91.3Very high87Confident73 Ų7333.8 Ų33.837%0.37419%0.191SC..Hα-helixtrans-65.9-41.7-179.5-59.4166.8000110.1T166 I170 F184 V185 S191 A192T166-I188 HydrophobicContact CG2-CG2 3.84Å; I170-I188 HydrophobicContact CD1-CB 3.88Å; I170-I188 HydrophobicContact CD1-CD1 4.02Å; I170-I188 HydrophobicContact CD1-CG2 3.42Å; I170-I188 VanDerWaalsContact CD1-CG2 3.42Å; F184-I188 HydrophobicContact CB-CD1 4.46Å; F184-I188 WeakPolarHBondContact O-CG1 2.87Å; F184-I188 PolarHBondContact O-N 2.82Å; V185-I188 PolarHBondContact O-N 2.68Å; I188-S191 PolarHBondContact O-N 2.91Å; I188-A192 WeakPolarHBondContact O-CB 3.41Å; I188-A192 PolarHBondContact O-N 2.72Å
189A90.6Very high87.6Confident0 Ų031.8 Ų31.80%018%0.178CC..Hα-helixtrans-63.6-45.2177.200000112.5Q126 T166 A167 V185 P186 F187 S191 A192 A193Q126-A189 VanDerWaalsContact NE2-CB 3.3Å; T166-A189 HydrophobicContact CG2-CB 4.34Å; A167-A189 HydrophobicContact CB-CB 3.79Å; V185-A189 WeakPolarHBondContact O-CB 3.22Å; V185-A189 PolarHBondContact O-N 3.25Å; P186-A189 PolarHBondContact O-N 3.47Å; F187-A189 VanDerWaalsContact C-N 3.34Å; F187-A189 PolarHBondContact O-N 2.88Å; A189-S191 VanDerWaalsContact C-N 3.32Å; A189-S191 PolarHBondContact O-N 2.87Å; A189-A192 PolarHBondContact O-N 3.39Å; A189-A193 WeakPolarHBondContact O-CB 3.48Å; A189-A193 PolarHBondContact O-N 3.32Å
190V89.2Confident88.4Confident9 Ų928.9 Ų28.96%0.05516%0.16CC..Hα-helixtrans-65.3-37.4175.9169.40000111L112 P186 F187 A193 N194 A242 M246L112-V190 HydrophobicContact CD1-CG2 4.22Å; P186-V190 WeakPolarHBondContact O-CB 3.49Å; P186-V190 VanDerWaalsContact O-CG2 3.27Å; P186-V190 WeakPolarHBondContact O-CG2 3.45Å; P186-V190 PolarHBondContact O-N 2.92Å; F187-V190 PolarHBondContact O-N 3.43Å; V190-A193 WeakPolarHBondContact O-CB 3.29Å; V190-A193 PolarHBondContact O-N 2.88Å; V190-N194 WeakPolarHBondContact CG1-ND2 3.29Å; V190-N194 PolarHBondContact O-N 2.85Å; V190-N194 PolarHBondContact O-ND2 3.34Å; V190-A242 HydrophobicContact CG1-CB 4.43Å; V190-M246 HydrophobicContact CB-CE 4.42Å; V190-M246 HydrophobicContact CB-SD 4.45Å; V190-M246 HydrophobicContact CG1-CE 4.42Å; V190-M246 HydrophobicContact CG2-CE 4.02Å; V190-M246 HydrophobicContact CG2-SD 4.46Å
191S93.2Very high88.9Confident15 Ų1527.8 Ų27.811%0.10515%0.154CC..Hα-helixtrans-64.6-46.4175.6-59.60000111.5F187 I188 A189 A193 N194 C195F187-S191 WeakPolarHBondContact O-CB 3.36Å; F187-S191 PolarHBondContact O-N 3.43Å; F187-S191 PolarHBondContact O-OG 3.01Å; I188-S191 PolarHBondContact O-N 2.91Å; A189-S191 VanDerWaalsContact C-N 3.32Å; A189-S191 PolarHBondContact O-N 2.87Å; S191-A193 VanDerWaalsContact C-N 3.3Å; S191-A193 PolarHBondContact O-N 2.65Å; S191-N194 PolarHBondContact O-N 2.77Å; S191-C195 PolarHBondContact O-N 3.31Å; S191-C195 PolarHBondContact O-SG 3.5Å
192A94.3Very high89.2Confident25 Ų2526.1 Ų26.121%0.20714%0.143CC..Hα-helixtrans-59.1-42.1174.400000111.7T166 I188 A189 N194 C195 I196T166-A192 HydrophobicContact CG2-CB 4.15Å; I188-A192 WeakPolarHBondContact O-CB 3.41Å; I188-A192 PolarHBondContact O-N 2.72Å; A189-A192 PolarHBondContact O-N 3.39Å; A192-N194 PolarHBondContact O-N 3.29Å; A192-C195 WeakPolarHBondContact O-CB 3.44Å; A192-C195 PolarHBondContact O-N 3.24Å; A192-I196 WeakPolarHBondContact O-CG1 3.26Å; A192-I196 PolarHBondContact O-N 3.17Å
193A91.8Very high89.7Confident0 Ų027.3 Ų27.30%015%0.151CC..Hα-helixtrans-60.7-43.8175.700000112.1A163 A189 V190 S191 I196 N197A163-A193 HydrophobicContact CB-CB 3.89Å; A189-A193 WeakPolarHBondContact O-CB 3.48Å; A189-A193 PolarHBondContact O-N 3.32Å; V190-A193 WeakPolarHBondContact O-CB 3.29Å; V190-A193 PolarHBondContact O-N 2.88Å; S191-A193 VanDerWaalsContact C-N 3.3Å; S191-A193 PolarHBondContact O-N 2.65Å; A193-I196 PolarHBondContact O-N 2.9Å; A193-N197 VanDerWaalsContact O-CB 3.24Å; A193-N197 WeakPolarHBondContact O-CB 3.25Å; A193-N197 PolarHBondContact O-N 3.35Å
194N92.4Very high90.1Very high29 Ų2926.7 Ų26.716%0.15515%0.153CC..Hα-helixtrans-64.4-38.7176.4-79.6-69.4000112.2V190 S191 A192 I196 I198 R238 I239V190-N194 WeakPolarHBondContact CG1-ND2 3.29Å; V190-N194 PolarHBondContact O-N 2.85Å; V190-N194 PolarHBondContact O-ND2 3.34Å; S191-N194 PolarHBondContact O-N 2.77Å; A192-N194 PolarHBondContact O-N 3.29Å; N194-I196 PolarHBondContact O-N 3.38Å; N194-I198 HydrophobicContact CB-CD1 4.06Å; N194-I198 WeakPolarHBondContact O-CD1 3.23Å; N194-I198 WeakPolarHBondContact O-CG1 3.43Å; N194-I198 PolarHBondContact O-N 2.97Å; N194-R238 HydrophobicContact CB-CB 4.48Å; N194-I239 HydrophobicContact CB-CG1 4.48Å
195C95.1Very high90.3Very high65 Ų6526 Ų2644%0.43915%0.151SC..Hα-helixtrans-64-19.1174.6-68.40000113.8S191 A192 P199S191-C195 PolarHBondContact O-N 3.31Å; S191-C195 PolarHBondContact O-SG 3.5Å; A192-C195 WeakPolarHBondContact O-CB 3.44Å; A192-C195 PolarHBondContact O-N 3.24Å; C195-P199 WeakPolarHBondContact O-CD 3.28Å; C195-P199 VanDerWaalsContact O-CG 3.29Å; C195-P199 WeakPolarHBondContact O-CG 3.5Å
196I93.6Very high90.6Very high56 Ų5628.1 Ų28.129%0.28716%0.162SC..Hα-helixtrans-99.2-50.1177.5-65.6164.5000110.5L158 A159 A192 A193 N194 I198 C200L158-I196 HydrophobicContact CB-CG2 3.6Å; A159-I196 HydrophobicContact CB-CB 4.46Å; A159-I196 HydrophobicContact CB-CG2 4.26Å; A192-I196 WeakPolarHBondContact O-CG1 3.26Å; A192-I196 PolarHBondContact O-N 3.17Å; A193-I196 PolarHBondContact O-N 2.9Å; N194-I196 PolarHBondContact O-N 3.38Å; I196-I198 PolarHBondContact O-N 2.89Å; I196-C200 VanDerWaalsContact O-CB 3.23Å; I196-C200 WeakPolarHBondContact O-CB 3.41Å; I196-C200 PolarHBondContact O-N 3.35Å; I196-C200 VanDerWaalsContact O-N 3.15Å
197N90Very high90.8Very high16 Ų1632.8 Ų32.89%0.08619%0.19CC..Hα-helixtrans-59.9-52.6-173.2-175.5-54000111S155 A159 A193 C200 M201S155-N197 WeakPolarHBondContact OG-CA 3.35Å; S155-N197 VanDerWaalsContact OG-CG 3.27Å; S155-N197 PolarHBondContact OG-O 2.88Å; S155-N197 PolarHBondContact OG-OD1 3.27Å; A159-N197 HydrophobicContact CB-CB 3.71Å; A193-N197 VanDerWaalsContact O-CB 3.24Å; A193-N197 WeakPolarHBondContact O-CB 3.25Å; A193-N197 PolarHBondContact O-N 3.35Å; N197-C200 PolarHBondContact O-N 3.48Å; N197-M201 WeakPolarHBondContact O-CB 3.3Å; N197-M201 WeakPolarHBondContact O-CG 3.42Å; N197-M201 PolarHBondContact O-N 3.29Å; N197-M201 WeakPolarHBondContact OD1-CG 3.33Å
198I89.6Confident90.9Very high14 Ų1436 Ų367%0.07221%0.205CC..Hα-helixtrans-67.3-48.9-170.3-59.6159.4000111N194 I196 C200 M201 R202 V231 V234 V235 R238N194-I198 HydrophobicContact CB-CD1 4.06Å; N194-I198 WeakPolarHBondContact O-CD1 3.23Å; N194-I198 WeakPolarHBondContact O-CG1 3.43Å; N194-I198 PolarHBondContact O-N 2.97Å; I196-I198 PolarHBondContact O-N 2.89Å; I198-C200 VanDerWaalsContact C-N 3.27Å; I198-C200 PolarHBondContact O-N 2.9Å; I198-M201 PolarHBondContact O-N 3.05Å; I198-R202 WeakPolarHBondContact O-CB 3.43Å; I198-R202 WeakPolarHBondContact O-CG 3.47Å; I198-R202 PolarHBondContact O-N 3.44Å; I198-V231 HydrophobicContact CG2-CG1 4.33Å; I198-V234 HydrophobicContact CD1-CG1 4.43Å; I198-V234 HydrophobicContact CG2-CB 4.43Å; I198-V234 HydrophobicContact CG2-CG1 4.01Å; I198-V235 HydrophobicContact CB-CG2 3.84Å; I198-V235 HydrophobicContact CD1-CB 4.44Å; I198-V235 HydrophobicContact CD1-CG2 3.98Å; I198-V235 HydrophobicContact CG2-CG2 3.95Å; I198-R238 HydrophobicContact CD1-CB 3.86Å; I198-R238 HydrophobicContact CD1-CG 3.64Å
199P91.9Very high90.8Very high35 Ų3532.8 Ų32.823%0.22719%0.19CC..Hα-helixtrans-61.3-34.1174.9-26.438.6000113.5C195 R202 S203 L206 V231 V235C195-P199 WeakPolarHBondContact O-CD 3.28Å; C195-P199 VanDerWaalsContact O-CG 3.29Å; C195-P199 WeakPolarHBondContact O-CG 3.5Å; P199-R202 CarbonylContact O-C 3.54Å; P199-S203 VanDerWaalsContact O-CA 3.24Å; P199-S203 WeakPolarHBondContact O-CA 3.36Å; P199-S203 PolarHBondContact O-N 3.23Å; P199-L206 HydrophobicContact CB-CD1 3.99Å; P199-V231 HydrophobicContact CB-CG1 4.21Å; P199-V231 HydrophobicContact CG-CG1 3.96Å; P199-V235 HydrophobicContact CG-CG2 4.18Å
200C90.6Very high90.8Very high25 Ų2533 Ų3317%0.16919%0.192CC..Hα-helixtrans-68.5-47.8177.1-172.30000111.8S155 I196 N197 I198 R202 S203S155-C200 VanDerWaalsContact CA-SG 3.56Å; I196-C200 VanDerWaalsContact O-CB 3.23Å; I196-C200 WeakPolarHBondContact O-CB 3.41Å; I196-C200 PolarHBondContact O-N 3.35Å; I196-C200 VanDerWaalsContact O-N 3.15Å; N197-C200 PolarHBondContact O-N 3.48Å; I198-C200 VanDerWaalsContact C-N 3.27Å; I198-C200 PolarHBondContact O-N 2.9Å; C200-R202 VanDerWaalsContact C-N 3.27Å; C200-R202 PolarHBondContact O-N 3.14Å; C200-S203 VanDerWaalsContact O-CB 3.3Å; C200-S203 WeakPolarHBondContact O-CB 3.22Å; C200-S203 PolarHBondContact O-N 3.04Å; C200-S203 PolarHBondContact O-OG 3.49Å
201M86.5Confident90.9Very high18 Ų1835.4 Ų35.49%0.08921%0.207CC..Hα-helixtrans-60.1-39.2176.4-71.6-64.9-66.200111.9N137 I147 L152 S155 N197 I198N137-M201 HydrophobicContact CB-CE 3.82Å; I147-M201 HydrophobicContact CB-CE 4.45Å; I147-M201 HydrophobicContact CD1-CE 3.46Å; I147-M201 VanDerWaalsContact CD1-CE 3.46Å; I147-M201 HydrophobicContact CG1-CE 4.42Å; I147-M201 HydrophobicContact CG2-CE 3.62Å; I147-M201 HydrophobicContact CG2-SD 4.3Å; L152-M201 HydrophobicContact CB-SD 4.39Å; L152-M201 HydrophobicContact CD1-CE 3.71Å; L152-M201 HydrophobicContact CD1-SD 3.71Å; S155-M201 WeakPolarHBondContact OG-CG 3.27Å; N197-M201 WeakPolarHBondContact O-CB 3.3Å; N197-M201 WeakPolarHBondContact O-CG 3.42Å; N197-M201 PolarHBondContact O-N 3.29Å; N197-M201 WeakPolarHBondContact OD1-CG 3.33Å; I198-M201 PolarHBondContact O-N 3.05Å
202R87.5Confident90.9Very high32 Ų3234.7 Ų34.712%0.12120%0.202CC..THydrogen-bonded Turntrans-101.724.1-177.2-57.1-176.366.4170.6-3.8112.5I198 P199 C200 A204 E205 V231 K327I198-R202 WeakPolarHBondContact O-CB 3.43Å; I198-R202 WeakPolarHBondContact O-CG 3.47Å; I198-R202 PolarHBondContact O-N 3.44Å; P199-R202 CarbonylContact O-C 3.54Å; C200-R202 VanDerWaalsContact C-N 3.27Å; C200-R202 PolarHBondContact O-N 3.14Å; R202-A204 VanDerWaalsContact C-N 3.26Å; R202-A204 PolarHBondContact O-N 3.48Å; R202-E205 IonicContact CZ-OE1 3.85Å; R202-E205 VanDerWaalsContact CZ-OE1 3.26Å; R202-E205 IonicContact CZ-OE2 2.64Å; R202-E205 IonicContact NE-OE1 3.45Å; R202-E205 PolarHBondContact NE-OE1 2.83Å; R202-E205 IonicContact NE-OE2 3.52Å; R202-E205 PolarHBondContact NE-OE2 3.17Å; R202-E205 IonicContact NH2-OE1 3.82Å; R202-E205 PolarHBondContact NH2-OE1 3.24Å; R202-E205 IonicContact NH2-OE2 3.24Å; R202-E205 PolarHBondContact NH2-OE2 2.57Å; R202-E205 WeakPolarHBondContact O-CB 3.4Å; R202-E205 PolarHBondContact O-N 3.48Å; R202-V231 HydrophobicContact CB-CG2 3.7Å; R202-K327 PolarHBondContact NH1-O 3.34Å; R202-K327 PolarHBondContact NH2-O 2.78Å
203S89.9Confident90.8Very high31 Ų3135.4 Ų35.422%0.21720%0.203CC..Hα-helixtrans-58-36-177.444.10000113.1P199 C200 E205 L206 T207P199-S203 VanDerWaalsContact O-CA 3.24Å; P199-S203 WeakPolarHBondContact O-CA 3.36Å; P199-S203 PolarHBondContact O-N 3.23Å; C200-S203 VanDerWaalsContact O-CB 3.3Å; C200-S203 WeakPolarHBondContact O-CB 3.22Å; C200-S203 PolarHBondContact O-N 3.04Å; C200-S203 PolarHBondContact O-OG 3.49Å; S203-E205 PolarHBondContact O-N 3.25Å; S203-L206 WeakPolarHBondContact O-CA 3.37Å; S203-L206 WeakPolarHBondContact O-CB 3.28Å; S203-L206 PolarHBondContact O-N 3.34Å; S203-T207 PolarHBondContact O-N 3.42Å; S203-T207 PolarHBondContact O-OG1 3.39Å; S203-T207 VanDerWaalsContact O-OG1 3.1Å
204A88.3Confident90.7Very high21 Ų2136 Ų3617%0.17421%0.206CC..Hα-helixtrans-58.4-34.7175.200000112.9R151 R202 L206 T207 E208 G209R151-A204 VanDerWaalsContact NH1-CB 3.34Å; R202-A204 VanDerWaalsContact C-N 3.26Å; R202-A204 PolarHBondContact O-N 3.48Å; A204-L206 PolarHBondContact O-N 2.74Å; A204-T207 PolarHBondContact O-N 2.97Å; A204-E208 VanDerWaalsContact O-CA 3.31Å; A204-E208 WeakPolarHBondContact O-CA 3.43Å; A204-E208 VanDerWaalsContact O-CB 3.23Å; A204-E208 WeakPolarHBondContact O-CB 3.2Å; A204-E208 PolarHBondContact O-N 3.02Å; A204-G209 PolarHBondContact O-N 3.35Å
205E89.1Confident90.3Very high42 Ų4242.1 Ų42.120%0.19623%0.233CC..Hα-helixtrans-70.3-27.3176.9-63.1177-129.300112R202 S203 G209 T210R202-E205 IonicContact CZ-OE1 3.85Å; R202-E205 VanDerWaalsContact CZ-OE1 3.26Å; R202-E205 IonicContact CZ-OE2 2.64Å; R202-E205 IonicContact NE-OE1 3.45Å; R202-E205 PolarHBondContact NE-OE1 2.83Å; R202-E205 IonicContact NE-OE2 3.52Å; R202-E205 PolarHBondContact NE-OE2 3.17Å; R202-E205 IonicContact NH2-OE1 3.82Å; R202-E205 PolarHBondContact NH2-OE1 3.24Å; R202-E205 IonicContact NH2-OE2 3.24Å; R202-E205 PolarHBondContact NH2-OE2 2.57Å; R202-E205 WeakPolarHBondContact O-CB 3.4Å; R202-E205 PolarHBondContact O-N 3.48Å; S203-E205 PolarHBondContact O-N 3.25Å; E205-G209 VanDerWaalsContact O-CA 3.29Å; E205-G209 WeakPolarHBondContact O-CA 3.21Å; E205-G209 PolarHBondContact O-N 2.95Å; E205-T210 WeakPolarHBondContact CB-OG1 3.18Å; E205-T210 PolarHBondContact OE2-OG1 2.82Å
206L91.7Very high89.8Confident46 Ų4644.8 Ų44.824%0.24124%0.243CC..Hα-helixtrans-81.2-29.5177.7-54.9179.3000112.4P199 S203 A204 R228 V231P199-L206 HydrophobicContact CB-CD1 3.99Å; S203-L206 WeakPolarHBondContact O-CA 3.37Å; S203-L206 WeakPolarHBondContact O-CB 3.28Å; S203-L206 PolarHBondContact O-N 3.34Å; A204-L206 PolarHBondContact O-N 2.74Å; L206-R228 HydrophobicContact CD2-CB 4.29Å; L206-R228 HydrophobicContact CD2-CG 3.79Å; L206-V231 HydrophobicContact CD2-CB 4.02Å; L206-V231 HydrophobicContact CD2-CG1 4.34Å; L206-V231 HydrophobicContact CD2-CG2 3.9Å; L206-V231 HydrophobicContact CG-CG2 4.37Å
207T91.5Very high89.3Confident101 Ų10144.2 Ų44.262%0.6225%0.252SS*.Hα-helixtrans-102.4-45.4-176.356.70000113.5S203 A204S203-T207 PolarHBondContact O-N 3.42Å; S203-T207 PolarHBondContact O-OG1 3.39Å; S203-T207 VanDerWaalsContact O-OG1 3.1Å; A204-T207 PolarHBondContact O-N 2.97Å
208E90.3Very high89.3Confident102 Ų10248.5 Ų48.548%0.47727%0.271SS..THydrogen-bonded Turntrans-97.4-16-177-54.2168.4-14600112.3R151 A204 K222R151-E208 IonicContact NH2-OE1 3.95Å; R151-E208 PolarHBondContact NH2-OE1 2.66Å; A204-E208 VanDerWaalsContact O-CA 3.31Å; A204-E208 WeakPolarHBondContact O-CA 3.43Å; A204-E208 VanDerWaalsContact O-CB 3.23Å; A204-E208 WeakPolarHBondContact O-CB 3.2Å; A204-E208 PolarHBondContact O-N 3.02Å; E208-K222 WeakPolarHBondContact O-CD 3.4Å
209G90.1Very high89.3Confident6 Ų655.7 Ų55.76%0.06230%0.302CS..  trans86.2158.1179.200000114.5A204 E205 S223A204-G209 PolarHBondContact O-N 3.35Å; E205-G209 VanDerWaalsContact O-CA 3.29Å; E205-G209 WeakPolarHBondContact O-CA 3.21Å; E205-G209 PolarHBondContact O-N 2.95Å; G209-S223 WeakPolarHBondContact CA-O 3.3Å
210T90.2Very high89.2Confident6 Ų654.2 Ų54.24%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-93.6138177.6-58.90000109.9E205 I212 K222 S223 V226 G227E205-T210 WeakPolarHBondContact CB-OG1 3.18Å; E205-T210 PolarHBondContact OE2-OG1 2.82Å; T210-I212 PolarHBondContact O-N 2.79Å; T210-K222 VanDerWaalsContact O-CA 3.3Å; T210-K222 WeakPolarHBondContact O-CA 3.31Å; T210-S223 PolarHBondContact N-O 3.04Å; T210-S223 PolarHBondContact O-N 3.37Å; T210-V226 HydrophobicContact CG2-CG1 4.25Å; T210-G227 WeakPolarHBondContact OG1-CA 3.31Å
211P91.9Very high89.3Confident58 Ų5854.3 Ų54.338%0.37730%0.297SS..EExtended strand (participates in β ladder)trans-56.6129.8174.2-24.734.3000112G221P211-G221 WeakPolarHBondContact CA-O 3.33Å
212I93.1Very high89.6Confident0 Ų058.7 Ų58.70%032%0.316CS..EExtended strand (participates in β ladder)trans-106.1141.3173.250.2169.4000109.6T210 L220 G221 V226 L303 V307 I311 V323 Y324T210-I212 PolarHBondContact O-N 2.79Å; I212-L220 HydrophobicContact CD1-CB 4.26Å; I212-L220 HydrophobicContact CG1-CB 4.16Å; I212-L220 PolarHBondContact O-N 3.45Å; I212-G221 WeakPolarHBondContact CG1-O 3.33Å; I212-G221 PolarHBondContact N-O 2.97Å; I212-V226 HydrophobicContact CG2-CB 4.36Å; I212-V226 HydrophobicContact CG2-CG1 4.36Å; I212-V226 HydrophobicContact CG2-CG2 3.88Å; I212-L303 HydrophobicContact CD1-CD1 4.24Å; I212-V307 HydrophobicContact CD1-CG1 3.61Å; I212-I311 HydrophobicContact CD1-CD1 3.65Å; I212-V323 HydrophobicContact CB-CB 4.47Å; I212-V323 HydrophobicContact CB-CG2 4.27Å; I212-V323 HydrophobicContact CG2-CG2 4.15Å; I212-Y324 CarbonylContact C-O 3.54Å; I212-Y324 WeakPolarHBondContact CA-O 3.47Å
213L91.6Very high89.9Confident40 Ų4057.2 Ų57.221%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-121.7151.5-173.7-51.8175.7000110.1E218 K219 Y324L213-E218 CarbonylContact C-O 3.43Å; L213-E218 WeakPolarHBondContact CA-O 3.46Å; L213-K219 HydrophobicContact CD2-CB 4.3Å; L213-K219 HydrophobicContact CD2-CG 3.58Å; L213-Y324 PolarHBondContact N-O 3.08Å; L213-Y324 PolarHBondContact O-N 3.11Å
214D89.3Confident90.1Very high13 Ų1357.5 Ų57.57%0.0731%0.311CS..  trans-82.3-177.1164.969.513.8000112N216 G217 E218 L220 R315D214-N216 PolarHBondContact O-N 2.91Å; D214-N216 WeakPolarHBondContact OD1-CA 3.44Å; D214-N216 WeakPolarHBondContact OD1-CB 3.28Å; D214-N216 PolarHBondContact OD1-N 3.3Å; D214-G217 PolarHBondContact O-N 3.48Å; D214-G217 VanDerWaalsContact O-N 3.11Å; D214-G217 PolarHBondContact OD1-N 3.35Å; D214-E218 PolarHBondContact N-O 2.82Å; D214-E218 PolarHBondContact OD1-N 3.5Å; D214-L220 HydrophobicContact CB-CD1 3.9Å; D214-L220 HydrophobicContact CB-CD2 4.19Å; D214-L220 HydrophobicContact CB-CG 4.06Å; D214-R315 IonicContact OD2-CZ 2.8Å; D214-R315 IonicContact OD2-NE 3.42Å; D214-R315 IonicContact OD2-NH2 3.92Å; D214-R315 PolarHBondContact OD2-NH2 2.72Å
215E85.2Confident90.3Very high157 Ų15758.9 Ų58.973%0.73432%0.317SS*.THydrogen-bonded Turntrans-62.9-21.6178.161.8-174.2179.300114.1Y324E215-Y324 HydrophobicContact CB-CE2 4.02Å
216N84.1Confident90.5Very high121 Ų12156.9 Ų56.965%0.64731%0.307SS*.THydrogen-bonded Turntrans-90.7-3.6177.6-58.8-51.5000112.2D214 E218D214-N216 PolarHBondContact O-N 2.91Å; D214-N216 WeakPolarHBondContact OD1-CA 3.44Å; D214-N216 WeakPolarHBondContact OD1-CB 3.28Å; D214-N216 PolarHBondContact OD1-N 3.3Å; N216-E218 HydrophobicContact CB-CG 4.35Å
217G83.5Confident90.6Very high45 Ų4554.7 Ų54.746%0.46430%0.296SS..SBendtrans82.211.3-176.200000113.9D214D214-G217 PolarHBondContact O-N 3.48Å; D214-G217 VanDerWaalsContact O-N 3.11Å; D214-G217 PolarHBondContact OD1-N 3.35Å
218E88.3Confident90.6Very high106 Ų10656.8 Ų56.850%0.49529%0.293SS..  trans-78.4139.2175.9-58-168.7157.200110.4L213 D214 N216 L220 R315L213-E218 CarbonylContact C-O 3.43Å; L213-E218 WeakPolarHBondContact CA-O 3.46Å; D214-E218 PolarHBondContact N-O 2.82Å; D214-E218 PolarHBondContact OD1-N 3.5Å; N216-E218 HydrophobicContact CB-CG 4.35Å; E218-L220 PolarHBondContact O-N 3.04Å; E218-R315 IonicContact OE2-CZ 3.7Å; E218-R315 IonicContact OE2-NH1 3.9Å; E218-R315 IonicContact OE2-NH2 2.65Å; E218-R315 PolarHBondContact OE2-NH2 3.32Å
219K90.3Very high90.7Very high165 Ų16557.4 Ų57.472%0.71729%0.291SS*.EExtended strand (participates in β ladder)trans-73.2122.1-178.7-70.1175.9-179.2173.30110.5L213L213-K219 HydrophobicContact CD2-CB 4.3Å; L213-K219 HydrophobicContact CD2-CG 3.58Å
220L90.3Very high90.8Very high4 Ų457.1 Ų57.12%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-95.3-14.4177.5-67179.5000113.5I212 D214 E218 I311 R315 P320 V323I212-L220 HydrophobicContact CD1-CB 4.26Å; I212-L220 HydrophobicContact CG1-CB 4.16Å; I212-L220 PolarHBondContact O-N 3.45Å; D214-L220 HydrophobicContact CB-CD1 3.9Å; D214-L220 HydrophobicContact CB-CD2 4.19Å; D214-L220 HydrophobicContact CB-CG 4.06Å; E218-L220 PolarHBondContact O-N 3.04Å; L220-I311 HydrophobicContact CB-CD1 4.37Å; L220-I311 HydrophobicContact CB-CG1 4.18Å; L220-R315 HydrophobicContact CD2-CG 4.18Å; L220-P320 HydrophobicContact CD1-CG 4.22Å; L220-V323 HydrophobicContact CD1-CG1 3.79Å
221G91.8Very high90.8Very high26 Ų2657.1 Ų57.127%0.26829%0.287SS..EExtended strand (participates in β ladder)trans145.7-157.3-176.700000112.2P211 I212P211-G221 WeakPolarHBondContact CA-O 3.33Å; I212-G221 WeakPolarHBondContact CG1-O 3.33Å; I212-G221 PolarHBondContact N-O 2.97Å
222K93.2Very high90.8Very high111 Ų11158 Ų5848%0.48330%0.295SS..EExtended strand (participates in β ladder)trans-128.3144.7174.5-66.3-176.1179.8-177.60110.4E208 T210 V307E208-K222 WeakPolarHBondContact O-CD 3.4Å; T210-K222 VanDerWaalsContact O-CA 3.3Å; T210-K222 WeakPolarHBondContact O-CA 3.31Å; K222-V307 WeakPolarHBondContact O-CG2 3.3Å
223S93.5Very high90.7Very high1 Ų159.4 Ų59.41%0.00730%0.302CS..EExtended strand (participates in β ladder)trans-132.1131176.91660000111.1G209 T210 V225 V226 G227 E304G209-S223 WeakPolarHBondContact CA-O 3.3Å; T210-S223 PolarHBondContact N-O 3.04Å; T210-S223 PolarHBondContact O-N 3.37Å; S223-V225 PolarHBondContact OG-N 3.33Å; S223-V226 WeakPolarHBondContact OG-CG2 3.25Å; S223-V226 PolarHBondContact OG-N 3.46Å; S223-V226 VanDerWaalsContact OG-N 3.14Å; S223-G227 PolarHBondContact O-N 3.43Å; S223-E304 WeakPolarHBondContact CB-OE2 3.49Å; S223-E304 PolarHBondContact OG-OE1 2.9Å; S223-E304 PolarHBondContact OG-OE2 3.43Å
224T94Very high90.6Very high37 Ų3757.7 Ų57.723%0.22729%0.293CS..Hα-helixtrans-79-31174.568.40000111.9V226 G227 R228 E304T224-V226 VanDerWaalsContact C-N 3.3Å; T224-V226 PolarHBondContact O-N 3.29Å; T224-G227 PolarHBondContact O-N 2.66Å; T224-R228 WeakPolarHBondContact O-CB 3.49Å; T224-R228 VanDerWaalsContact O-CG 3.29Å; T224-R228 WeakPolarHBondContact O-CG 3.38Å; T224-R228 PolarHBondContact O-N 3.48Å; T224-E304 WeakPolarHBondContact CA-OE1 3.26Å; T224-E304 WeakPolarHBondContact CB-OE1 3.4Å; T224-E304 PolarHBondContact N-OE1 3.39Å; T224-E304 PolarHBondContact OG1-OE1 2.92Å
225V94.2Very high90.7Very high50 Ų5057.9 Ų57.930%0.30330%0.295SS..Hα-helixtrans-60.5-44172.9168.40000110.2S223 R228 R229 I298 E304S223-V225 PolarHBondContact OG-N 3.33Å; V225-R228 PolarHBondContact O-N 2.93Å; V225-R229 WeakPolarHBondContact O-CB 3.27Å; V225-R229 PolarHBondContact O-N 3.28Å; V225-I298 HydrophobicContact CG1-CD1 4.4Å; V225-E304 HydrophobicContact CB-CG 4.43Å; V225-E304 VanDerWaalsContact CG2-CD 3.46Å; V225-E304 HydrophobicContact CG2-CG 3.61Å; V225-E304 PolarHBondContact N-OE1 3.34Å
226V92.8Very high91Very high0 Ų054.4 Ų54.40%028%0.28CS..Hα-helixtrans-62.1-47.5173.91710000111.1T210 I212 S223 T224 R228 R229 A230 I298 L303 Y325T210-V226 HydrophobicContact CG2-CG1 4.25Å; I212-V226 HydrophobicContact CG2-CB 4.36Å; I212-V226 HydrophobicContact CG2-CG1 4.36Å; I212-V226 HydrophobicContact CG2-CG2 3.88Å; S223-V226 WeakPolarHBondContact OG-CG2 3.25Å; S223-V226 PolarHBondContact OG-N 3.46Å; S223-V226 VanDerWaalsContact OG-N 3.14Å; T224-V226 VanDerWaalsContact C-N 3.3Å; T224-V226 PolarHBondContact O-N 3.29Å; V226-R228 PolarHBondContact O-N 3.15Å; V226-R229 PolarHBondContact O-N 3.19Å; V226-A230 WeakPolarHBondContact O-CB 3.47Å; V226-A230 PolarHBondContact O-N 2.99Å; V226-I298 HydrophobicContact CG2-CG2 3.88Å; V226-L303 HydrophobicContact CG2-CD2 3.82Å; V226-Y325 VanDerWaalsContact CG1-CB 3.47Å; V226-Y325 HydrophobicContact CG1-CD1 3.66Å; V226-Y325 HydrophobicContact CG1-CD2 3.37Å; V226-Y325 HydrophobicContact CG1-CE1 4.21Å; V226-Y325 HydrophobicContact CG1-CE2 3.94Å; V226-Y325 HydrophobicContact CG1-CG 3.2Å; V226-Y325 HydrophobicContact CG2-CD1 4.37Å
227G92.3Very high91.2Very high0 Ų048.9 Ų48.90%025%0.252CS..Hα-helixtrans-58-46.1177.200000113T210 S223 T224 R229 A230 V231T210-G227 WeakPolarHBondContact OG1-CA 3.31Å; S223-G227 PolarHBondContact O-N 3.43Å; T224-G227 PolarHBondContact O-N 2.66Å; G227-R229 PolarHBondContact O-N 3.39Å; G227-A230 PolarHBondContact O-N 3.12Å; G227-V231 WeakPolarHBondContact O-CB 3.15Å; G227-V231 VanDerWaalsContact O-CG2 3.28Å; G227-V231 WeakPolarHBondContact O-CG2 3.29Å; G227-V231 PolarHBondContact O-N 2.96Å
228R93.5Very high91.5Very high145 Ų14549 Ų4955%0.54724%0.238SC..Hα-helixtrans-57.4-47.5174.9-72.2171.1-171.1179.85.8111.5L206 T224 V225 V226 V231 S232L206-R228 HydrophobicContact CD2-CB 4.29Å; L206-R228 HydrophobicContact CD2-CG 3.79Å; T224-R228 WeakPolarHBondContact O-CB 3.49Å; T224-R228 VanDerWaalsContact O-CG 3.29Å; T224-R228 WeakPolarHBondContact O-CG 3.38Å; T224-R228 PolarHBondContact O-N 3.48Å; V225-R228 PolarHBondContact O-N 2.93Å; V226-R228 PolarHBondContact O-N 3.15Å; R228-V231 PolarHBondContact O-N 3.16Å; R228-S232 WeakPolarHBondContact O-CB 3.38Å; R228-S232 PolarHBondContact O-N 3.32Å; R228-S232 PolarHBondContact O-OG 3.26Å
229R92.1Very high91.6Very high115 Ų11545.7 Ų45.743%0.43422%0.223SC..Hα-helixtrans-63-45.9179.3-173.7176.6178.4117.1-1.6111.9V225 V226 G227 S232 Q233V225-R229 WeakPolarHBondContact O-CB 3.27Å; V225-R229 PolarHBondContact O-N 3.28Å; V226-R229 PolarHBondContact O-N 3.19Å; G227-R229 PolarHBondContact O-N 3.39Å; R229-S232 PolarHBondContact O-N 3.25Å; R229-Q233 VanDerWaalsContact O-CG 3.29Å; R229-Q233 WeakPolarHBondContact O-CG 3.45Å; R229-Q233 PolarHBondContact O-N 2.75Å
230A90.8Very high91.6Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-60-49.2177.800000111.3V226 G227 S232 Q233 V234 Y325 K327V226-A230 WeakPolarHBondContact O-CB 3.47Å; V226-A230 PolarHBondContact O-N 2.99Å; G227-A230 PolarHBondContact O-N 3.12Å; A230-S232 PolarHBondContact O-N 3.01Å; A230-Q233 PolarHBondContact O-N 2.77Å; A230-V234 WeakPolarHBondContact O-CG2 3.41Å; A230-V234 PolarHBondContact O-N 3.36Å; A230-Y325 HydrophobicContact CB-CD2 4.49Å; A230-Y325 HydrophobicContact CB-CE2 4.22Å; A230-K327 HydrophobicContact CB-CB 4.17Å
231V91.2Very high91.5Very high5 Ų541.9 Ų41.93%0.0321%0.21CC..Hα-helixtrans-61.1-45.6177.9171.10000111.2I198 P199 R202 L206 G227 R228 Q233 V234 V235I198-V231 HydrophobicContact CG2-CG1 4.33Å; P199-V231 HydrophobicContact CB-CG1 4.21Å; P199-V231 HydrophobicContact CG-CG1 3.96Å; R202-V231 HydrophobicContact CB-CG2 3.7Å; L206-V231 HydrophobicContact CD2-CB 4.02Å; L206-V231 HydrophobicContact CD2-CG1 4.34Å; L206-V231 HydrophobicContact CD2-CG2 3.9Å; L206-V231 HydrophobicContact CG-CG2 4.37Å; G227-V231 WeakPolarHBondContact O-CB 3.15Å; G227-V231 VanDerWaalsContact O-CG2 3.28Å; G227-V231 WeakPolarHBondContact O-CG2 3.29Å; G227-V231 PolarHBondContact O-N 2.96Å; R228-V231 PolarHBondContact O-N 3.16Å; V231-Q233 VanDerWaalsContact C-N 3.34Å; V231-Q233 PolarHBondContact O-N 2.71Å; V231-V234 PolarHBondContact O-N 3.48Å; V231-V235 HydrophobicContact CG1-CG2 4.42Å; V231-V235 WeakPolarHBondContact O-CG2 3.24Å; V231-V235 PolarHBondContact O-N 3.02Å
232S92.1Very high91.3Very high78 Ų7841.4 Ų41.455%0.54520%0.203SC..Hα-helixtrans-61.2-40.4177.3-63.10000112.8R228 R229 A230 V235 L236R228-S232 WeakPolarHBondContact O-CB 3.38Å; R228-S232 PolarHBondContact O-N 3.32Å; R228-S232 PolarHBondContact O-OG 3.26Å; R229-S232 PolarHBondContact O-N 3.25Å; A230-S232 PolarHBondContact O-N 3.01Å; S232-V235 PolarHBondContact O-N 3.31Å; S232-L236 WeakPolarHBondContact O-CB 3.44Å; S232-L236 PolarHBondContact O-N 3.21Å
233Q90.3Very high91Very high28 Ų2837.6 Ų37.613%0.13119%0.191CC..Hα-helixtrans-64.4-40175.7-74.4175.5-8.300112.1R229 A230 V231 L236 S237 F292R229-Q233 VanDerWaalsContact O-CG 3.29Å; R229-Q233 WeakPolarHBondContact O-CG 3.45Å; R229-Q233 PolarHBondContact O-N 2.75Å; A230-Q233 PolarHBondContact O-N 2.77Å; V231-Q233 VanDerWaalsContact C-N 3.34Å; V231-Q233 PolarHBondContact O-N 2.71Å; Q233-L236 PolarHBondContact O-N 2.93Å; Q233-S237 WeakPolarHBondContact O-CB 3.39Å; Q233-S237 PolarHBondContact O-N 2.83Å; Q233-F292 HydrophobicContact CB-CD2 4.39Å; Q233-F292 HydrophobicContact CB-CG 4.48Å; Q233-F292 HydrophobicContact CG-CD1 4.4Å; Q233-F292 HydrophobicContact CG-CE1 4.41Å
234V89.3Confident90.7Very high4 Ų439 Ų392%0.02420%0.2CC..Hα-helixtrans-69.4-41.2177.3174.50000111.5I198 A230 V231 L236 S237 R238 K327I198-V234 HydrophobicContact CD1-CG1 4.43Å; I198-V234 HydrophobicContact CG2-CB 4.43Å; I198-V234 HydrophobicContact CG2-CG1 4.01Å; A230-V234 WeakPolarHBondContact O-CG2 3.41Å; A230-V234 PolarHBondContact O-N 3.36Å; V231-V234 PolarHBondContact O-N 3.48Å; V234-L236 VanDerWaalsContact C-N 3.34Å; V234-L236 PolarHBondContact O-N 3.41Å; V234-S237 PolarHBondContact O-N 3Å; V234-R238 HydrophobicContact CG1-CG 4.27Å; V234-R238 WeakPolarHBondContact O-CB 3.36Å; V234-R238 WeakPolarHBondContact O-CG 3.45Å; V234-R238 PolarHBondContact O-N 2.89Å; V234-K327 HydrophobicContact CG2-CG 4.47Å
235V91.6Very high90.3Very high18 Ų1837.4 Ų37.411%0.10919%0.191CC..Hα-helixtrans-56.2-50.2172.1171.50000110.6I198 P199 V231 S232 S237 R238 I239I198-V235 HydrophobicContact CB-CG2 3.84Å; I198-V235 HydrophobicContact CD1-CB 4.44Å; I198-V235 HydrophobicContact CD1-CG2 3.98Å; I198-V235 HydrophobicContact CG2-CG2 3.95Å; P199-V235 HydrophobicContact CG-CG2 4.18Å; V231-V235 HydrophobicContact CG1-CG2 4.42Å; V231-V235 WeakPolarHBondContact O-CG2 3.24Å; V231-V235 PolarHBondContact O-N 3.02Å; S232-V235 PolarHBondContact O-N 3.31Å; V235-S237 PolarHBondContact O-N 3.41Å; V235-R238 PolarHBondContact O-N 3.14Å; V235-I239 HydrophobicContact CG1-CD1 3.93Å; V235-I239 WeakPolarHBondContact O-CG1 3.33Å; V235-I239 PolarHBondContact O-N 2.87Å
236L91.3Very high89.9Confident83 Ų8335.2 Ų35.244%0.43518%0.177SC..Hα-helixtrans-60.1-45.8178.117961.2000111.6S232 Q233 V234 R238 I239 L240 F292S232-L236 WeakPolarHBondContact O-CB 3.44Å; S232-L236 PolarHBondContact O-N 3.21Å; Q233-L236 PolarHBondContact O-N 2.93Å; V234-L236 VanDerWaalsContact C-N 3.34Å; V234-L236 PolarHBondContact O-N 3.41Å; L236-R238 VanDerWaalsContact C-N 3.31Å; L236-R238 PolarHBondContact O-N 2.84Å; L236-I239 PolarHBondContact O-N 2.77Å; L236-L240 HydrophobicContact CD1-CD1 4.14Å; L236-L240 HydrophobicContact CD1-CG 4.13Å; L236-L240 HydrophobicContact CG-CD1 3.96Å; L236-L240 HydrophobicContact CG-CG 4.36Å; L236-L240 WeakPolarHBondContact O-CB 3.41Å; L236-L240 VanDerWaalsContact O-CG 3.29Å; L236-L240 WeakPolarHBondContact O-CG 3.05Å; L236-L240 PolarHBondContact O-N 2.96Å; L236-F292 HydrophobicContact CD2-CZ 4.14Å
237S89.6Confident89.5Confident6 Ų636.5 Ų36.54%0.04219%0.185CC..Hα-helixtrans-57.5-44.3177.2-172.50000111.5Q233 V234 V235 L240 M241 C288Q233-S237 WeakPolarHBondContact O-CB 3.39Å; Q233-S237 PolarHBondContact O-N 2.83Å; V234-S237 PolarHBondContact O-N 3Å; V235-S237 PolarHBondContact O-N 3.41Å; S237-L240 PolarHBondContact O-N 3.34Å; S237-M241 WeakPolarHBondContact O-CG 3.38Å; S237-M241 PolarHBondContact O-N 2.97Å; S237-C288 PolarHBondContact OG-O 3.13Å
238R88.8Confident89.3Confident48 Ų4840.6 Ų40.618%0.18121%0.206CC..Hα-helixtrans-67.3-36.9-179-68.2-77.6178.5-173.7-3.6112.3Q101 N194 I198 V234 V235 L236 A242 L329Q101-R238 VanDerWaalsContact NE2-NH1 3.18Å; N194-R238 HydrophobicContact CB-CB 4.48Å; I198-R238 HydrophobicContact CD1-CB 3.86Å; I198-R238 HydrophobicContact CD1-CG 3.64Å; V234-R238 HydrophobicContact CG1-CG 4.27Å; V234-R238 WeakPolarHBondContact O-CB 3.36Å; V234-R238 WeakPolarHBondContact O-CG 3.45Å; V234-R238 PolarHBondContact O-N 2.89Å; V235-R238 PolarHBondContact O-N 3.14Å; L236-R238 VanDerWaalsContact C-N 3.31Å; L236-R238 PolarHBondContact O-N 2.84Å; R238-A242 PolarHBondContact O-N 3.2Å; R238-L329 PolarHBondContact NH2-OXT 3.31Å
239I91Very high89Confident35 Ų3533.7 Ų33.718%0.17918%0.18CC..Hα-helixtrans-67.3-45.9173.5-66.5168.7000110.8F187 N194 V235 L236 M241 A242 S243F187-I239 HydrophobicContact CE2-CG2 4.2Å; F187-I239 HydrophobicContact CZ-CG2 3.93Å; N194-I239 HydrophobicContact CB-CG1 4.48Å; V235-I239 HydrophobicContact CG1-CD1 3.93Å; V235-I239 WeakPolarHBondContact O-CG1 3.33Å; V235-I239 PolarHBondContact O-N 2.87Å; L236-I239 PolarHBondContact O-N 2.77Å; I239-M241 VanDerWaalsContact C-N 3.26Å; I239-M241 PolarHBondContact O-N 2.88Å; I239-A242 PolarHBondContact O-N 3.27Å; I239-S243 PolarHBondContact O-N 3.4Å
240L90Very high88.6Confident75 Ų7528.5 Ų28.539%0.39316%0.161SC..Hα-helixtrans-61.4-35.6178-71.9175.4000112L236 S237 A242 S243 P244L236-L240 HydrophobicContact CD1-CD1 4.14Å; L236-L240 HydrophobicContact CD1-CG 4.13Å; L236-L240 HydrophobicContact CG-CD1 3.96Å; L236-L240 HydrophobicContact CG-CG 4.36Å; L236-L240 WeakPolarHBondContact O-CB 3.41Å; L236-L240 VanDerWaalsContact O-CG 3.29Å; L236-L240 WeakPolarHBondContact O-CG 3.05Å; L236-L240 PolarHBondContact O-N 2.96Å; S237-L240 PolarHBondContact O-N 3.34Å; L240-A242 PolarHBondContact O-N 2.72Å; L240-S243 PolarHBondContact O-N 3.1Å; L240-P244 WeakPolarHBondContact O-CD 3.28Å
241M88.3Confident88.4Confident15 Ų1533.6 Ų33.67%0.07418%0.184CC..Hα-helixtrans-62.1-40.4175.4-73.7165.765.800112.8S237 I239 T285 C288S237-M241 WeakPolarHBondContact O-CG 3.38Å; S237-M241 PolarHBondContact O-N 2.97Å; I239-M241 VanDerWaalsContact C-N 3.26Å; I239-M241 PolarHBondContact O-N 2.88Å; M241-T285 HydrophobicContact CE-CG2 3.4Å; M241-T285 VanDerWaalsContact CE-CG2 3.4Å; M241-C288 HydrophobicContact CB-CB 4.48Å; M241-C288 HydrophobicContact CG-CB 3.31Å; M241-C288 HydrophobicContact SD-CB 4.32Å
242A86.3Confident88.2Confident15 Ų1536 Ų3612%0.12420%0.198CC..Hα-helixtrans-78.6-25.818000000113F187 V190 R238 I239 L240 M246F187-A242 HydrophobicContact CD2-CB 4.44Å; F187-A242 HydrophobicContact CE2-CB 4.41Å; V190-A242 HydrophobicContact CG1-CB 4.43Å; R238-A242 PolarHBondContact O-N 3.2Å; I239-A242 PolarHBondContact O-N 3.27Å; L240-A242 PolarHBondContact O-N 2.72Å; A242-M246 HydrophobicContact CB-SD 4.35Å; A242-M246 PolarHBondContact O-N 3.41Å; A242-M246 VanDerWaalsContact O-N 3.12Å
243S88.5Confident88Confident32 Ų3232.3 Ų32.322%0.22417%0.172CC..Hα-helixtrans-58.8-56.1-169.8170.90000113.7F187 I239 L240 G245 M246 T247F187-S243 VanDerWaalsContact CE2-CA 3.48Å; I239-S243 PolarHBondContact O-N 3.4Å; L240-S243 PolarHBondContact O-N 3.1Å; S243-G245 VanDerWaalsContact C-N 3.33Å; S243-G245 PolarHBondContact O-N 3.02Å; S243-M246 PolarHBondContact O-N 2.99Å; S243-T247 VanDerWaalsContact O-CB 3.27Å; S243-T247 WeakPolarHBondContact O-CB 3.3Å; S243-T247 VanDerWaalsContact O-CG2 3.3Å; S243-T247 WeakPolarHBondContact O-CG2 3.39Å; S243-T247 PolarHBondContact O-N 3.3Å; S243-T247 PolarHBondContact O-OG1 2.91Å
244P86.3Confident87.7Confident30 Ų3033.8 Ų33.820%0.19518%0.179CC..Hα-helixtrans-57.4-44.8-176.9-2836.5000113.1L240 M246 I248 V284L240-P244 WeakPolarHBondContact O-CD 3.28Å; P244-M246 VanDerWaalsContact C-N 3.34Å; P244-M246 PolarHBondContact O-N 2.97Å; P244-I248 HydrophobicContact CB-CD1 4.11Å; P244-I248 VanDerWaalsContact O-CB 3.29Å; P244-I248 WeakPolarHBondContact O-CB 3.42Å; P244-I248 PolarHBondContact O-N 3.44Å; P244-V284 HydrophobicContact CB-CG2 4Å; P244-V284 HydrophobicContact CG-CG1 3.93Å; P244-V284 HydrophobicContact CG-CG2 3.89Å
245G84.9Confident87.6Confident3 Ų337 Ų373%0.03120%0.202CC..Hα-helixtrans-67.2-29.9-178.800000113.9S243 L249S243-G245 VanDerWaalsContact C-N 3.33Å; S243-G245 PolarHBondContact O-N 3.02Å; G245-L249 WeakPolarHBondContact O-CB 3.46Å
246M85.9Confident87.3Confident4 Ų438.2 Ų38.22%0.0221%0.207CC..Hα-helixtrans-102.2-14.3-178.9-61.5-177.2178.100114.2T109 L113 F187 V190 A242 S243 P244 P250T109-M246 HydrophobicContact CG2-CE 3.4Å; T109-M246 VanDerWaalsContact CG2-CE 3.4Å; T109-M246 HydrophobicContact CG2-CG 3.72Å; T109-M246 HydrophobicContact CG2-SD 4.41Å; T109-M246 WeakPolarHBondContact OG1-CE 3.17Å; L113-M246 HydrophobicContact CD2-CB 4.48Å; F187-M246 VanDerWaalsContact CA-SD 3.6Å; F187-M246 HydrophobicContact CB-CB 3.75Å; F187-M246 HydrophobicContact CB-SD 4.07Å; F187-M246 HydrophobicContact CD2-CB 4.1Å; F187-M246 HydrophobicContact CD2-SD 4.22Å; F187-M246 HydrophobicContact CG-CB 4.26Å; V190-M246 HydrophobicContact CB-CE 4.42Å; V190-M246 HydrophobicContact CB-SD 4.45Å; V190-M246 HydrophobicContact CG1-CE 4.42Å; V190-M246 HydrophobicContact CG2-CE 4.02Å; V190-M246 HydrophobicContact CG2-SD 4.46Å; A242-M246 HydrophobicContact CB-SD 4.35Å; A242-M246 PolarHBondContact O-N 3.41Å; A242-M246 VanDerWaalsContact O-N 3.12Å; S243-M246 PolarHBondContact O-N 2.99Å; P244-M246 VanDerWaalsContact C-N 3.34Å; P244-M246 PolarHBondContact O-N 2.97Å; M246-P250 WeakPolarHBondContact O-CD 3.36Å; M246-P250 VanDerWaalsContact O-CG 3.27Å; M246-P250 WeakPolarHBondContact O-CG 3.29Å
247T85.7Confident87Confident27 Ų2738 Ų3817%0.16620%0.204CC..Hα-helixtrans-106.2-43.2-179.163.50000112.6F184 F187 S243 F251F184-T247 HydrophobicContact CD1-CG2 4.13Å; F184-T247 HydrophobicContact CE1-CG2 3.94Å; F187-T247 HydrophobicContact CD1-CG2 3.96Å; F187-T247 HydrophobicContact CE1-CG2 4.13Å; F187-T247 HydrophobicContact CG-CG2 4.15Å; F187-T247 HydrophobicContact CZ-CG2 4.5Å; S243-T247 VanDerWaalsContact O-CB 3.27Å; S243-T247 WeakPolarHBondContact O-CB 3.3Å; S243-T247 VanDerWaalsContact O-CG2 3.3Å; S243-T247 WeakPolarHBondContact O-CG2 3.39Å; S243-T247 PolarHBondContact O-N 3.3Å; S243-T247 PolarHBondContact O-OG1 2.91Å; T247-F251 WeakPolarHBondContact O-CD2 3.48Å; T247-F251 WeakPolarHBondContact O-CE2 3.41Å
248I87.7Confident86.7Confident86 Ų8646.7 Ų46.744%0.44124%0.236SC..THydrogen-bonded Turntrans-82.8-42.3-177.5-57.7175.2000110.2P244 F251 V252 M280P244-I248 HydrophobicContact CB-CD1 4.11Å; P244-I248 VanDerWaalsContact O-CB 3.29Å; P244-I248 WeakPolarHBondContact O-CB 3.42Å; P244-I248 PolarHBondContact O-N 3.44Å; I248-F251 WeakPolarHBondContact O-CB 3.44Å; I248-F251 PolarHBondContact O-N 2.95Å; I248-V252 HydrophobicContact CG2-CG2 4.34Å; I248-V252 PolarHBondContact O-N 3.5Å; I248-M280 HydrophobicContact CB-CE 4.27Å; I248-M280 HydrophobicContact CG2-CE 4.01Å
249L86.3Confident86.6Confident1 Ų149.2 Ų49.21%0.00525%0.25CS..Hα-helixtrans-59-39-174.9-172.661.9000114.5L113 G245 F251 V252 M253 Q273 L276 V277 M280L113-L249 HydrophobicContact CD1-CD2 4.15Å; G245-L249 WeakPolarHBondContact O-CB 3.46Å; L249-F251 PolarHBondContact O-N 2.88Å; L249-V252 HydrophobicContact CD1-CB 4.26Å; L249-V252 PolarHBondContact O-N 3.15Å; L249-V252 VanDerWaalsContact O-N 3.09Å; L249-M253 HydrophobicContact CD1-CG 4.22Å; L249-M253 HydrophobicContact CG-CG 4.16Å; L249-M253 PolarHBondContact O-N 2.69Å; L249-Q273 HydrophobicContact CD2-CG 3.95Å; L249-L276 HydrophobicContact CD1-CB 3.4Å; L249-L276 HydrophobicContact CD1-CD1 3.64Å; L249-L276 HydrophobicContact CD1-CG 4.14Å; L249-L276 HydrophobicContact CD2-CB 4.25Å; L249-L276 HydrophobicContact CG-CB 4.49Å; L249-V277 HydrophobicContact CD2-CB 4.18Å; L249-V277 HydrophobicContact CD2-CG2 3.15Å; L249-M280 HydrophobicContact CB-SD 4.49Å
250P83.7Confident86.3Confident5 Ų556.5 Ų56.53%0.03228%0.28CS..Hα-helixtrans-49.5-38.4171.2-35.340.5000114.9L113 R183 M246 Q254L113-P250 HydrophobicContact CD2-CG 4.44Å; R183-P250 HydrophobicContact CB-CB 4.01Å; R183-P250 HydrophobicContact CB-CG 4.1Å; R183-P250 HydrophobicContact CG-CB 4.5Å; R183-P250 PolarHBondContact NH1-O 3.09Å; M246-P250 WeakPolarHBondContact O-CD 3.36Å; M246-P250 VanDerWaalsContact O-CG 3.27Å; M246-P250 WeakPolarHBondContact O-CG 3.29Å; P250-Q254 WeakPolarHBondContact O-CB 3.32Å; P250-Q254 PolarHBondContact O-N 3.2Å
251F87.3Confident86Confident108 Ų10857.3 Ų57.347%0.47429%0.285SS..Hα-helixtrans-73.6-40.3178.5-63.2-85.9000111.7I180 F184 T247 I248 L249 Q254 S255I180-F251 HydrophobicContact CD1-CD1 3.66Å; I180-F251 HydrophobicContact CD1-CE1 3.26Å; I180-F251 HydrophobicContact CD1-CZ 3.82Å; I180-F251 HydrophobicContact CG1-CE1 4.36Å; I180-F251 HydrophobicContact CG1-CZ 4.5Å; F184-F251 AromaticContact CZ-CE2 3.97Å; F184-F251 HydrophobicContact CZ-CE2 3.97Å; F184-F251 HydrophobicContact CZ-CZ 4.12Å; T247-F251 WeakPolarHBondContact O-CD2 3.48Å; T247-F251 WeakPolarHBondContact O-CE2 3.41Å; I248-F251 WeakPolarHBondContact O-CB 3.44Å; I248-F251 PolarHBondContact O-N 2.95Å; L249-F251 PolarHBondContact O-N 2.88Å; F251-Q254 PolarHBondContact O-N 3.24Å; F251-S255 PolarHBondContact O-N 3.3Å
252V88.2Confident85.8Confident56 Ų5657.2 Ų57.234%0.33928%0.284SS..Hα-helixtrans-62-48.3175.6178.10000110.1I248 L249 Q254 S255 L256 L276I248-V252 HydrophobicContact CG2-CG2 4.34Å; I248-V252 PolarHBondContact O-N 3.5Å; L249-V252 HydrophobicContact CD1-CB 4.26Å; L249-V252 PolarHBondContact O-N 3.15Å; L249-V252 VanDerWaalsContact O-N 3.09Å; V252-Q254 VanDerWaalsContact C-N 3.33Å; V252-Q254 PolarHBondContact O-N 3.21Å; V252-S255 WeakPolarHBondContact O-CB 3.35Å; V252-S255 PolarHBondContact O-N 3.13Å; V252-S255 VanDerWaalsContact O-N 3.11Å; V252-L256 HydrophobicContact CG1-CD1 4.03Å; V252-L256 HydrophobicContact CG1-CG 4.42Å; V252-L256 WeakPolarHBondContact O-CG 3.31Å; V252-L256 PolarHBondContact O-N 3.19Å; V252-L276 HydrophobicContact CG1-CD1 4.11Å
253M86.2Confident85.7Confident0 Ų062 Ų620%031%0.307CS..Hα-helixtrans-61.2-41.3176.6-76.1-58.6-60.100111.8L249 S255 L256 E257 L262 G269 I272 Q273 L276L249-M253 HydrophobicContact CD1-CG 4.22Å; L249-M253 HydrophobicContact CG-CG 4.16Å; L249-M253 PolarHBondContact O-N 2.69Å; M253-S255 VanDerWaalsContact C-N 3.27Å; M253-S255 PolarHBondContact O-N 2.92Å; M253-L256 PolarHBondContact O-N 3.5Å; M253-L256 HydrophobicContact SD-CD1 4.25Å; M253-E257 WeakPolarHBondContact O-CB 3.42Å; M253-E257 WeakPolarHBondContact O-CG 3.43Å; M253-E257 PolarHBondContact O-N 3.2Å; M253-L262 HydrophobicContact CE-CD1 4.23Å; M253-G269 WeakPolarHBondContact CE-O 3.39Å; M253-I272 HydrophobicContact SD-CG2 3.96Å; M253-Q273 HydrophobicContact CE-CB 4.01Å; M253-Q273 HydrophobicContact CG-CB 4.29Å; M253-Q273 HydrophobicContact CG-CG 4.1Å; M253-Q273 HydrophobicContact SD-CB 3.92Å; M253-Q273 HydrophobicContact SD-CG 4.38Å; M253-L276 HydrophobicContact SD-CD1 4.15Å
254Q84.2Confident85.7Confident59 Ų5969.3 Ų69.328%0.27633%0.329SS..Hα-helixtrans-60.7-36174.8-175.1172-32.100112.9P250 F251 V252 R258P250-Q254 WeakPolarHBondContact O-CB 3.32Å; P250-Q254 PolarHBondContact O-N 3.2Å; F251-Q254 PolarHBondContact O-N 3.24Å; V252-Q254 VanDerWaalsContact C-N 3.33Å; V252-Q254 PolarHBondContact O-N 3.21Å; Q254-R258 WeakPolarHBondContact O-CG 3.46Å
255S87.1Confident85.9Confident72 Ų7272.2 Ų72.250%0.50334%0.337SS..Hα-helixtrans-70.2-44.6175.3-170.40000111.5F251 V252 M253 E257 R258F251-S255 PolarHBondContact O-N 3.3Å; V252-S255 WeakPolarHBondContact O-CB 3.35Å; V252-S255 PolarHBondContact O-N 3.13Å; V252-S255 VanDerWaalsContact O-N 3.11Å; M253-S255 VanDerWaalsContact C-N 3.27Å; M253-S255 PolarHBondContact O-N 2.92Å; S255-E257 PolarHBondContact O-N 3.24Å; S255-R258 PolarHBondContact O-N 3.39Å
256L86.8Confident85.8Confident42 Ų4276.7 Ų76.722%0.2237%0.366CS..Hα-helixtrans-65-37.6177.7-68.4174.5000112.4V252 M253 R258 Q259 L262 I272 L276V252-L256 HydrophobicContact CG1-CD1 4.03Å; V252-L256 HydrophobicContact CG1-CG 4.42Å; V252-L256 WeakPolarHBondContact O-CG 3.31Å; V252-L256 PolarHBondContact O-N 3.19Å; M253-L256 PolarHBondContact O-N 3.5Å; M253-L256 HydrophobicContact SD-CD1 4.25Å; L256-R258 PolarHBondContact O-N 2.96Å; L256-Q259 VanDerWaalsContact O-CB 3.28Å; L256-Q259 WeakPolarHBondContact O-CB 3.27Å; L256-Q259 PolarHBondContact O-N 3.37Å; L256-L262 HydrophobicContact CB-CD1 3.74Å; L256-I272 HydrophobicContact CD1-CG2 3.95Å; L256-L276 HydrophobicContact CD1-CD1 3.87Å
257E83.7Confident85.8Confident80 Ų8085.1 Ų85.137%0.37440%0.397SS..Hα-helixtrans-60.6-24177.9-79.2170163.300112.2R183 M253 S255 Q259 L262 I263R183-E257 IonicContact CZ-OE2 2.69Å; R183-E257 IonicContact NH1-OE2 2.69Å; R183-E257 IonicContact NH2-OE1 2.9Å; R183-E257 PolarHBondContact NH2-OE1 3.39Å; R183-E257 IonicContact NH2-OE2 3.13Å; R183-E257 PolarHBondContact NH2-OE2 3.37Å; M253-E257 WeakPolarHBondContact O-CB 3.42Å; M253-E257 WeakPolarHBondContact O-CG 3.43Å; M253-E257 PolarHBondContact O-N 3.2Å; S255-E257 PolarHBondContact O-N 3.24Å; E257-Q259 VanDerWaalsContact C-N 3.34Å; E257-L262 HydrophobicContact CG-CD1 4.23Å; E257-I263 WeakPolarHBondContact O-CG1 3.46Å
258R84Confident86Confident188 Ų18885.7 Ų85.771%0.70940%0.399SS*.THydrogen-bonded Turntrans-84.6-7.8174.8-64.4174.7179.7-171.5-1.8113.2Q254 S255 L256Q254-R258 WeakPolarHBondContact O-CG 3.46Å; S255-R258 PolarHBondContact O-N 3.39Å; L256-R258 PolarHBondContact O-N 2.96Å
259Q86.4Confident85.8Confident101 Ų10181.9 Ų81.947%0.47238%0.381SS..SBendtrans-83.9150.2178.1-60.5-171.60.900111.6L256 E257 L261 L262 I263L256-Q259 VanDerWaalsContact O-CB 3.28Å; L256-Q259 WeakPolarHBondContact O-CB 3.27Å; L256-Q259 PolarHBondContact O-N 3.37Å; E257-Q259 VanDerWaalsContact C-N 3.34Å; Q259-L261 PolarHBondContact O-N 2.88Å; Q259-L262 PolarHBondContact O-N 3.33Å; Q259-I263 WeakPolarHBondContact O-CG1 3.33Å; Q259-I263 PolarHBondContact O-N 2.93Å; Q259-I263 VanDerWaalsContact O-N 3.14Å
260K83.9Confident85.8Confident188 Ų18882.9 Ų82.982%0.81739%0.389SS*.Hα-helixtrans-53.5-32.7-177.9-65.5-177179.9179.80113.4R264K260-R264 WeakPolarHBondContact O-CB 3.34Å; K260-R264 PolarHBondContact O-N 3.43Å
261L83.8Confident86.1Confident92 Ų9285.3 Ų85.348%0.48241%0.405SS..Hα-helixtrans-63-53.4-179.3-175.771.4000112Q259 R264 Y265 L268Q259-L261 PolarHBondContact O-N 2.88Å; L261-R264 PolarHBondContact O-N 3.07Å; L261-Y265 HydrophobicContact CD1-CD2 4.08Å; L261-Y265 PolarHBondContact O-N 2.95Å; L261-L268 HydrophobicContact CD1-CD1 4.36Å; L261-L268 HydrophobicContact CG-CD1 4.32Å
262L85.3Confident86.2Confident12 Ų1282.3 Ų82.36%0.06339%0.394CS..Hα-helixtrans-74.9-27.7-179-79.9-175.5000112.7M253 L256 E257 Q259 R264 Y265 P266 L268 I272M253-L262 HydrophobicContact CE-CD1 4.23Å; L256-L262 HydrophobicContact CB-CD1 3.74Å; E257-L262 HydrophobicContact CG-CD1 4.23Å; Q259-L262 PolarHBondContact O-N 3.33Å; L262-R264 VanDerWaalsContact C-N 3.34Å; L262-Y265 CarbonylContact O-C 3.42Å; L262-P266 VanDerWaalsContact O-CA 3.28Å; L262-P266 WeakPolarHBondContact O-CA 3.13Å; L262-L268 HydrophobicContact CD2-CB 3.86Å; L262-I272 HydrophobicContact CD2-CD1 3.94Å; L262-I272 HydrophobicContact CG-CD1 4.37Å
263I83.2Confident86.2Confident116 Ų11680.2 Ų80.260%0.59538%0.38SS*.Hα-helixtrans-63.3-43.2170.1-64.9170.4000110.3E257 Q259E257-I263 WeakPolarHBondContact O-CG1 3.46Å; Q259-I263 WeakPolarHBondContact O-CG1 3.33Å; Q259-I263 PolarHBondContact O-N 2.93Å; Q259-I263 VanDerWaalsContact O-N 3.14Å
264R89.1Confident86.4Confident185 Ų18581.7 Ų81.770%0.69839%0.388SS*.Hα-helixtrans-76.1-35.5-179.7-172.3174.2-178.4173.21.4113K260 L261 L262K260-R264 WeakPolarHBondContact O-CB 3.34Å; K260-R264 PolarHBondContact O-N 3.43Å; L261-R264 PolarHBondContact O-N 3.07Å; L262-R264 VanDerWaalsContact C-N 3.34Å
265Y89.5Confident86.6Confident92 Ų9282.2 Ų82.236%0.36140%0.398SS..  trans-13072.7-176.2-58.2-69.7000110.8L261 L262 W267 L268L261-Y265 HydrophobicContact CD1-CD2 4.08Å; L261-Y265 PolarHBondContact O-N 2.95Å; L262-Y265 CarbonylContact O-C 3.42Å; Y265-W267 AromaticContact CD1-NE1 3.93Å; Y265-W267 PolarHBondContact O-N 3.44Å; Y265-W267 VanDerWaalsContact O-N 3.15Å; Y265-L268 HydrophobicContact CD2-CD1 4.48Å; Y265-L268 HydrophobicContact CG-CD1 4.34Å; Y265-L268 WeakPolarHBondContact O-CB 3.3Å; Y265-L268 PolarHBondContact O-N 3.1Å
266P84.3Confident86.8Confident97 Ų9781 Ų8163%0.6339%0.385SS*.G310 helixtrans-62.5-25.3-176.423.6-34.3000113.3L262 L268 G269L262-P266 VanDerWaalsContact O-CA 3.28Å; L262-P266 WeakPolarHBondContact O-CA 3.13Å; P266-L268 PolarHBondContact O-N 3.25Å; P266-G269 PolarHBondContact O-N 3.03Å
267W86.4Confident86.9Confident180 Ų18079 Ų7968%0.68238%0.375SS*.G310 helixtrans-62.4-23.3176.575.2-89.7000113.3Y265 G269 P271Y265-W267 AromaticContact CD1-NE1 3.93Å; Y265-W267 PolarHBondContact O-N 3.44Å; Y265-W267 VanDerWaalsContact O-N 3.15Å; W267-G269 PolarHBondContact O-N 2.85Å; W267-P271 VanDerWaalsContact O-CD 3.25Å; W267-P271 WeakPolarHBondContact O-CD 3.48Å
268L88.4Confident87.2Confident39 Ų3975.3 Ų75.320%0.20436%0.359CS..G310 helixtrans-71.3-13.2175.5-67.4177.7000113.1L261 L262 Y265 P266 A270 P271 I272L261-L268 HydrophobicContact CD1-CD1 4.36Å; L261-L268 HydrophobicContact CG-CD1 4.32Å; L262-L268 HydrophobicContact CD2-CB 3.86Å; Y265-L268 HydrophobicContact CD2-CD1 4.48Å; Y265-L268 HydrophobicContact CG-CD1 4.34Å; Y265-L268 WeakPolarHBondContact O-CB 3.3Å; Y265-L268 PolarHBondContact O-N 3.1Å; P266-L268 PolarHBondContact O-N 3.25Å; L268-A270 VanDerWaalsContact C-N 3.35Å; L268-A270 PolarHBondContact O-N 2.81Å; L268-P271 WeakPolarHBondContact O-CD 3.23Å; L268-I272 HydrophobicContact CB-CD1 4.08Å; L268-I272 WeakPolarHBondContact O-CB 3.31Å; L268-I272 VanDerWaalsContact O-CG1 3.26Å; L268-I272 WeakPolarHBondContact O-CG1 3.48Å; L268-I272 PolarHBondContact O-N 2.83Å
269G84.9Confident87.4Confident6 Ų671.6 Ų71.66%0.06235%0.352CS..Hα-helixtrans-56.8-46.1-179.500000112.7M253 P266 W267 Q273M253-G269 WeakPolarHBondContact CE-O 3.39Å; P266-G269 PolarHBondContact O-N 3.03Å; W267-G269 PolarHBondContact O-N 2.85Å; G269-Q273 WeakPolarHBondContact O-CB 3.25Å; G269-Q273 PolarHBondContact O-N 2.69Å
270A86.1Confident87.6Confident22 Ų2269.1 Ų69.118%0.18234%0.341CS..Hα-helixtrans-67.5-50.8-179.800000112.8Q114 L268 I272 Q273 I274Q114-A270 HydrophobicContact CG-CB 3.87Å; L268-A270 VanDerWaalsContact C-N 3.35Å; L268-A270 PolarHBondContact O-N 2.81Å; A270-I272 VanDerWaalsContact C-N 3.34Å; A270-I272 PolarHBondContact O-N 3.11Å; A270-Q273 PolarHBondContact O-N 2.64Å; A270-I274 WeakPolarHBondContact O-CB 3.41Å; A270-I274 WeakPolarHBondContact O-CD1 3.47Å; A270-I274 VanDerWaalsContact O-CG1 3.26Å; A270-I274 WeakPolarHBondContact O-CG1 3.27Å; A270-I274 PolarHBondContact O-N 2.89Å
271P90.1Very high87.8Confident57 Ų5760.8 Ų60.837%0.3731%0.305SS..Hα-helixtrans-55.6-43.4173.6-27.633.8000114W267 L268 S275W267-P271 VanDerWaalsContact O-CD 3.25Å; W267-P271 WeakPolarHBondContact O-CD 3.48Å; L268-P271 WeakPolarHBondContact O-CD 3.23Å; P271-S275 VanDerWaalsContact O-CB 3.27Å; P271-S275 WeakPolarHBondContact O-CB 3.47Å; P271-S275 PolarHBondContact O-N 3.25Å; P271-S275 PolarHBondContact O-OG 3.09Å
272I89.5Confident87.9Confident44 Ų4458 Ų5823%0.22629%0.294CS..Hα-helixtrans-65-46.9178.9-70.8173.4000110.2M253 L256 L262 L268 A270 S275 L276M253-I272 HydrophobicContact SD-CG2 3.96Å; L256-I272 HydrophobicContact CD1-CG2 3.95Å; L262-I272 HydrophobicContact CD2-CD1 3.94Å; L262-I272 HydrophobicContact CG-CD1 4.37Å; L268-I272 HydrophobicContact CB-CD1 4.08Å; L268-I272 WeakPolarHBondContact O-CB 3.31Å; L268-I272 VanDerWaalsContact O-CG1 3.26Å; L268-I272 WeakPolarHBondContact O-CG1 3.48Å; L268-I272 PolarHBondContact O-N 2.83Å; A270-I272 VanDerWaalsContact C-N 3.34Å; A270-I272 PolarHBondContact O-N 3.11Å; I272-S275 PolarHBondContact O-N 3.45Å; I272-L276 HydrophobicContact CG2-CD1 3.76Å; I272-L276 HydrophobicContact CG2-CG 4.28Å; I272-L276 WeakPolarHBondContact O-CB 3.49Å; I272-L276 VanDerWaalsContact O-CG 3.3Å; I272-L276 WeakPolarHBondContact O-CG 3.4Å; I272-L276 PolarHBondContact O-N 3.45Å
273Q87.5Confident88.1Confident12 Ų1261.7 Ų61.76%0.05631%0.313CS..Hα-helixtrans-61.1-49.4179.5-171.9170.1-7900111.6G110 Q114 L249 M253 G269 A270 S275 L276 V277G110-Q273 PolarHBondContact O-NE2 2.82Å; Q114-Q273 VanDerWaalsContact CA-NE2 3.31Å; L249-Q273 HydrophobicContact CD2-CG 3.95Å; M253-Q273 HydrophobicContact CE-CB 4.01Å; M253-Q273 HydrophobicContact CG-CB 4.29Å; M253-Q273 HydrophobicContact CG-CG 4.1Å; M253-Q273 HydrophobicContact SD-CB 3.92Å; M253-Q273 HydrophobicContact SD-CG 4.38Å; G269-Q273 WeakPolarHBondContact O-CB 3.25Å; G269-Q273 PolarHBondContact O-N 2.69Å; A270-Q273 PolarHBondContact O-N 2.64Å; Q273-S275 VanDerWaalsContact C-N 3.29Å; Q273-S275 PolarHBondContact O-N 3.24Å; Q273-L276 PolarHBondContact O-N 3.38Å; Q273-V277 WeakPolarHBondContact O-CG2 3.42Å; Q273-V277 PolarHBondContact O-N 3.07Å
274I89.4Confident88.4Confident31 Ų3157.3 Ų57.316%0.15929%0.292CS..Hα-helixtrans-57-45.9176.5-68.2162.9000109.9M106 F107 A270 L276 V277 G278M106-I274 HydrophobicContact CE-CG2 3.68Å; M106-I274 WeakPolarHBondContact CE-O 3.3Å; M106-I274 HydrophobicContact CG-CG2 3.88Å; M106-I274 VanDerWaalsContact CG-O 3.31Å; M106-I274 WeakPolarHBondContact CG-O 3.39Å; F107-I274 HydrophobicContact CD2-CD1 4.42Å; A270-I274 WeakPolarHBondContact O-CB 3.41Å; A270-I274 WeakPolarHBondContact O-CD1 3.47Å; A270-I274 VanDerWaalsContact O-CG1 3.26Å; A270-I274 WeakPolarHBondContact O-CG1 3.27Å; A270-I274 PolarHBondContact O-N 2.89Å; I274-L276 PolarHBondContact O-N 3.36Å; I274-V277 PolarHBondContact O-N 2.83Å; I274-G278 PolarHBondContact O-N 2.8Å
275S90.1Very high88.3Confident70 Ų7048.8 Ų48.849%0.4926%0.26SS..Hα-helixtrans-61.4-44.1179.3-58.70000112.8P271 I272 Q273 G278 L279P271-S275 VanDerWaalsContact O-CB 3.27Å; P271-S275 WeakPolarHBondContact O-CB 3.47Å; P271-S275 PolarHBondContact O-N 3.25Å; P271-S275 PolarHBondContact O-OG 3.09Å; I272-S275 PolarHBondContact O-N 3.45Å; Q273-S275 VanDerWaalsContact C-N 3.29Å; Q273-S275 PolarHBondContact O-N 3.24Å; S275-G278 PolarHBondContact O-N 3.45Å; S275-L279 PolarHBondContact O-N 3.46Å
276L90.7Very high88.1Confident46 Ų4644.4 Ų44.424%0.24124%0.243CC..Hα-helixtrans-68.4-39.8178.9-70.8173.3000112.2L249 V252 M253 L256 I272 Q273 I274 G278 L279 M280L249-L276 HydrophobicContact CD1-CB 3.4Å; L249-L276 HydrophobicContact CD1-CD1 3.64Å; L249-L276 HydrophobicContact CD1-CG 4.14Å; L249-L276 HydrophobicContact CD2-CB 4.25Å; L249-L276 HydrophobicContact CG-CB 4.49Å; V252-L276 HydrophobicContact CG1-CD1 4.11Å; M253-L276 HydrophobicContact SD-CD1 4.15Å; L256-L276 HydrophobicContact CD1-CD1 3.87Å; I272-L276 HydrophobicContact CG2-CD1 3.76Å; I272-L276 HydrophobicContact CG2-CG 4.28Å; I272-L276 WeakPolarHBondContact O-CB 3.49Å; I272-L276 VanDerWaalsContact O-CG 3.3Å; I272-L276 WeakPolarHBondContact O-CG 3.4Å; I272-L276 PolarHBondContact O-N 3.45Å; Q273-L276 PolarHBondContact O-N 3.38Å; I274-L276 PolarHBondContact O-N 3.36Å; L276-G278 VanDerWaalsContact C-N 3.27Å; L276-G278 PolarHBondContact O-N 2.85Å; L276-L279 PolarHBondContact O-N 3.4Å; L276-M280 WeakPolarHBondContact O-CG 3.47Å; L276-M280 PolarHBondContact O-N 3.11Å
277V89.5Confident88.4Confident0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-56.7-47169.4173.30000109.6T109 L113 L249 Q273 I274 L279 M280 L281T109-V277 HydrophobicContact CG2-CG1 3.69Å; T109-V277 HydrophobicContact CG2-CG2 4.01Å; L113-V277 HydrophobicContact CD1-CG2 4.04Å; L249-V277 HydrophobicContact CD2-CB 4.18Å; L249-V277 HydrophobicContact CD2-CG2 3.15Å; Q273-V277 WeakPolarHBondContact O-CG2 3.42Å; Q273-V277 PolarHBondContact O-N 3.07Å; I274-V277 PolarHBondContact O-N 2.83Å; V277-L279 PolarHBondContact O-N 3.3Å; V277-M280 PolarHBondContact O-N 2.92Å; V277-L281 HydrophobicContact CG1-CD1 3.6Å; V277-L281 HydrophobicContact CG1-CG 3.97Å; V277-L281 WeakPolarHBondContact O-CB 3.4Å; V277-L281 WeakPolarHBondContact O-CG 3.46Å; V277-L281 PolarHBondContact O-N 3.39Å
278G88.8Confident88.4Confident3 Ų335.1 Ų35.13%0.03120%0.202CC..Hα-helixtrans-57.9-46.7-179.600000113.2M106 I274 S275 L276 L281 S282M106-G278 VanDerWaalsContact CG-CA 3.41Å; M106-G278 WeakPolarHBondContact SD-CA 3.33Å; I274-G278 PolarHBondContact O-N 2.8Å; S275-G278 PolarHBondContact O-N 3.45Å; L276-G278 VanDerWaalsContact C-N 3.27Å; L276-G278 PolarHBondContact O-N 2.85Å; G278-L281 PolarHBondContact O-N 3.49Å; G278-S282 WeakPolarHBondContact O-CB 3.44Å; G278-S282 PolarHBondContact O-N 3.38Å; G278-S282 PolarHBondContact O-OG 2.86Å
279L89.2Confident88.2Confident110 Ų11033.8 Ų33.858%0.57620%0.196SC*.Hα-helixtrans-60.9-46.9175.8-178.862.4000111.4S275 L276 V277 S282 L283S275-L279 PolarHBondContact O-N 3.46Å; L276-L279 PolarHBondContact O-N 3.4Å; V277-L279 PolarHBondContact O-N 3.3Å; L279-S282 PolarHBondContact O-N 2.87Å; L279-L283 PolarHBondContact O-N 3.06Å
280M89.5Confident88.3Confident49 Ų4933.5 Ų33.524%0.24119%0.193CC..Hα-helixtrans-62.7-48.5177.9-76-170.6166.700111.8I248 L249 L276 V277 S282 L283 V284I248-M280 HydrophobicContact CB-CE 4.27Å; I248-M280 HydrophobicContact CG2-CE 4.01Å; L249-M280 HydrophobicContact CB-SD 4.49Å; L276-M280 WeakPolarHBondContact O-CG 3.47Å; L276-M280 PolarHBondContact O-N 3.11Å; V277-M280 PolarHBondContact O-N 2.92Å; M280-S282 VanDerWaalsContact C-N 3.31Å; M280-S282 PolarHBondContact O-N 3.28Å; M280-L283 PolarHBondContact O-N 2.8Å; M280-V284 VanDerWaalsContact O-CB 3.27Å; M280-V284 WeakPolarHBondContact O-CB 3.37Å; M280-V284 WeakPolarHBondContact O-CG2 3.45Å; M280-V284 PolarHBondContact O-N 2.95Å
281L88.9Confident88.3Confident13 Ų1335.5 Ų35.57%0.06820%0.203CC..Hα-helixtrans-62.4-38.1179.6-75.2178.5000112.2V102 N105 M106 V277 G278 L283 T285V102-L281 HydrophobicContact CG1-CB 4.32Å; N105-L281 HydrophobicContact CB-CD1 3.86Å; M106-L281 HydrophobicContact CB-CD1 4.33Å; V277-L281 HydrophobicContact CG1-CD1 3.6Å; V277-L281 HydrophobicContact CG1-CG 3.97Å; V277-L281 WeakPolarHBondContact O-CB 3.4Å; V277-L281 WeakPolarHBondContact O-CG 3.46Å; V277-L281 PolarHBondContact O-N 3.39Å; G278-L281 PolarHBondContact O-N 3.49Å; L281-L283 PolarHBondContact O-N 3.42Å; L281-T285 WeakPolarHBondContact O-CB 3.28Å; L281-T285 PolarHBondContact O-N 3.13Å; L281-T285 PolarHBondContact O-OG1 3.34Å
282S86.5Confident87.9Confident35 Ų3534.9 Ų34.925%0.24520%0.195CC..Hα-helixtrans-62.1-29.9178.3-59.70000112.6V102 G278 L279 M280 P286V102-S282 WeakPolarHBondContact CG1-OG 3.41Å; G278-S282 WeakPolarHBondContact O-CB 3.44Å; G278-S282 PolarHBondContact O-N 3.38Å; G278-S282 PolarHBondContact O-OG 2.86Å; L279-S282 PolarHBondContact O-N 2.87Å; M280-S282 VanDerWaalsContact C-N 3.31Å; M280-S282 PolarHBondContact O-N 3.28Å; S282-P286 WeakPolarHBondContact O-CD 3.46Å; S282-P286 WeakPolarHBondContact O-CG 3.12Å
283L88.6Confident87.6Confident89 Ų8934.7 Ų34.747%0.46620%0.196SC..Hα-helixtrans-91-48.5177.3-63.3175.4000111.7F34 L279 M280 L281 P286 L287F34-L283 HydrophobicContact CE1-CD2 4.23Å; F34-L283 HydrophobicContact CZ-CD2 4.44Å; L279-L283 PolarHBondContact O-N 3.06Å; M280-L283 PolarHBondContact O-N 2.8Å; L281-L283 PolarHBondContact O-N 3.42Å; L283-P286 WeakPolarHBondContact O-CD 3.4Å; L283-P286 WeakPolarHBondContact O-CG 3.2Å; L283-L287 WeakPolarHBondContact O-CB 3.32Å; L283-L287 VanDerWaalsContact O-CD1 3.3Å; L283-L287 WeakPolarHBondContact O-CD1 3.19Å; L283-L287 WeakPolarHBondContact O-CG 3.2Å; L283-L287 PolarHBondContact O-N 3.2Å
284V89.3Confident87.3Confident23 Ų2336.7 Ų36.714%0.13921%0.206CC..Hα-helixtrans-70.2-39.9-172.2173.30000111.6P244 M280 L287 C288P244-V284 HydrophobicContact CB-CG2 4Å; P244-V284 HydrophobicContact CG-CG1 3.93Å; P244-V284 HydrophobicContact CG-CG2 3.89Å; M280-V284 VanDerWaalsContact O-CB 3.27Å; M280-V284 WeakPolarHBondContact O-CB 3.37Å; M280-V284 WeakPolarHBondContact O-CG2 3.45Å; M280-V284 PolarHBondContact O-N 2.95Å; V284-L287 PolarHBondContact O-N 3.28Å; V284-C288 VanDerWaalsContact CG1-SG 3.58Å; V284-C288 VanDerWaalsContact O-CB 3.32Å; V284-C288 WeakPolarHBondContact O-CB 3.19Å; V284-C288 PolarHBondContact O-N 3.01Å; V284-C288 PolarHBondContact O-SG 3.13Å; V284-C288 VanDerWaalsContact O-SG 3.41Å
285T86.4Confident87Confident6 Ų639.2 Ų39.24%0.03722%0.219CC..Hα-helixtrans-54.4-58.3-178.3-60.90000112.3T37 V102 M241 L281 L287 C288 C289T37-T285 HydrophobicContact CG2-CG2 4.19Å; V102-T285 HydrophobicContact CG2-CG2 4.42Å; M241-T285 HydrophobicContact CE-CG2 3.4Å; M241-T285 VanDerWaalsContact CE-CG2 3.4Å; L281-T285 WeakPolarHBondContact O-CB 3.28Å; L281-T285 PolarHBondContact O-N 3.13Å; L281-T285 PolarHBondContact O-OG1 3.34Å; T285-L287 VanDerWaalsContact C-N 3.32Å; T285-L287 PolarHBondContact O-N 3.45Å; T285-C288 PolarHBondContact O-N 3.45Å; T285-C289 WeakPolarHBondContact O-CB 3.29Å; T285-C289 PolarHBondContact O-N 3.15Å; T285-C289 PolarHBondContact O-SG 2.81Å
286P86.3Confident86.9Confident0 Ų036.5 Ų36.50%020%0.199CC..Hα-helixtrans-65.6-35.4-179.724.8-34.4000112.8F33 F34 S282 L283 A290F33-P286 HydrophobicContact CB-CB 3.59Å; F34-P286 HydrophobicContact CB-CB 4.45Å; F34-P286 HydrophobicContact CD1-CB 4.05Å; F34-P286 HydrophobicContact CD1-CG 3.46Å; F34-P286 VanDerWaalsContact CD1-CG 3.46Å; F34-P286 HydrophobicContact CD2-CB 4.03Å; F34-P286 HydrophobicContact CD2-CG 4.11Å; F34-P286 HydrophobicContact CE1-CB 4.26Å; F34-P286 HydrophobicContact CE1-CG 3.32Å; F34-P286 HydrophobicContact CE2-CB 4.22Å; F34-P286 HydrophobicContact CE2-CG 3.98Å; F34-P286 HydrophobicContact CG-CB 3.92Å; F34-P286 HydrophobicContact CG-CG 3.85Å; F34-P286 HydrophobicContact CZ-CB 4.33Å; F34-P286 HydrophobicContact CZ-CG 3.58Å; S282-P286 WeakPolarHBondContact O-CD 3.46Å; S282-P286 WeakPolarHBondContact O-CG 3.12Å; L283-P286 WeakPolarHBondContact O-CD 3.4Å; L283-P286 WeakPolarHBondContact O-CG 3.2Å; P286-A290 VanDerWaalsContact O-CB 3.3Å; P286-A290 WeakPolarHBondContact O-CB 3.35Å; P286-A290 PolarHBondContact O-N 3.15Å
287L90.1Very high86.8Confident64 Ų6437.1 Ų37.134%0.33521%0.208SC..Hα-helixtrans-66.1-41.5178.8-67.9175000112.4Y26 A30 F34 L283 V284 T285 A290 V291Y26-L287 HydrophobicContact CE1-CD2 4.49Å; Y26-L287 WeakPolarHBondContact OH-CD2 3.38Å; Y26-L287 PolarHBondContact OH-O 3.42Å; Y26-L287 VanDerWaalsContact OH-O 3.06Å; A30-L287 HydrophobicContact CB-CD2 4.37Å; F34-L287 HydrophobicContact CE2-CD2 3.97Å; F34-L287 HydrophobicContact CE2-CG 4.3Å; F34-L287 HydrophobicContact CZ-CD2 4.3Å; F34-L287 HydrophobicContact CZ-CG 4.2Å; L283-L287 WeakPolarHBondContact O-CB 3.32Å; L283-L287 VanDerWaalsContact O-CD1 3.3Å; L283-L287 WeakPolarHBondContact O-CD1 3.19Å; L283-L287 WeakPolarHBondContact O-CG 3.2Å; L283-L287 PolarHBondContact O-N 3.2Å; V284-L287 PolarHBondContact O-N 3.28Å; T285-L287 VanDerWaalsContact C-N 3.32Å; T285-L287 PolarHBondContact O-N 3.45Å; L287-A290 PolarHBondContact O-N 3.48Å; L287-V291 WeakPolarHBondContact O-CG2 3.12Å; L287-V291 PolarHBondContact O-N 3.23Å
288C86.8Confident87Confident18 Ų1837.3 Ų37.312%0.12221%0.209CC..Hα-helixtrans-70.7-42.7176.3-74.40000111.8S237 M241 V284 T285 A290 V291S237-C288 PolarHBondContact OG-O 3.13Å; M241-C288 HydrophobicContact CB-CB 4.48Å; M241-C288 HydrophobicContact CG-CB 3.31Å; M241-C288 HydrophobicContact SD-CB 4.32Å; V284-C288 VanDerWaalsContact CG1-SG 3.58Å; V284-C288 VanDerWaalsContact O-CB 3.32Å; V284-C288 WeakPolarHBondContact O-CB 3.19Å; V284-C288 PolarHBondContact O-N 3.01Å; V284-C288 PolarHBondContact O-SG 3.13Å; V284-C288 VanDerWaalsContact O-SG 3.41Å; T285-C288 PolarHBondContact O-N 3.45Å; C288-A290 PolarHBondContact O-N 3.18Å; C288-V291 WeakPolarHBondContact O-CB 3.43Å; C288-V291 PolarHBondContact O-N 3.27Å
289C84.4Confident87.2Confident11 Ų1139.4 Ų39.47%0.07422%0.222CC..Hα-helixtrans-57.6-34173.5-71.40000111.8F33 T285F33-C289 HydrophobicContact CB-CB 4.34Å; F33-C289 HydrophobicContact CD1-CB 3.83Å; F33-C289 HydrophobicContact CD2-CB 3.6Å; F33-C289 HydrophobicContact CE1-CB 4.01Å; F33-C289 HydrophobicContact CE2-CB 3.79Å; F33-C289 WeakPolarHBondContact CE2-O 3.45Å; F33-C289 HydrophobicContact CG-CB 3.64Å; F33-C289 HydrophobicContact CZ-CB 4.01Å; T285-C289 WeakPolarHBondContact O-CB 3.29Å; T285-C289 PolarHBondContact O-N 3.15Å; T285-C289 PolarHBondContact O-SG 2.81Å
290A86.8Confident87.2Confident0 Ų035.1 Ų35.10%020%0.198CC..Hα-helixtrans-75.9-17.1177.600000115.1Y26 R29 A30 F33 P286 L287 C288 F292Y26-A290 HydrophobicContact CD2-CB 4.03Å; Y26-A290 VanDerWaalsContact CD2-O 3.3Å; Y26-A290 WeakPolarHBondContact CD2-O 3.32Å; Y26-A290 HydrophobicContact CE2-CB 3.66Å; R29-A290 HydrophobicContact CB-CB 3.78Å; R29-A290 PolarHBondContact NE-O 3.46Å; R29-A290 PolarHBondContact NH2-O 2.85Å; A30-A290 HydrophobicContact CB-CB 3.93Å; F33-A290 HydrophobicContact CD2-CB 4.17Å; P286-A290 VanDerWaalsContact O-CB 3.3Å; P286-A290 WeakPolarHBondContact O-CB 3.35Å; P286-A290 PolarHBondContact O-N 3.15Å; L287-A290 PolarHBondContact O-N 3.48Å; C288-A290 PolarHBondContact O-N 3.18Å; A290-F292 VanDerWaalsContact C-N 3.3Å; A290-F292 PolarHBondContact O-N 3.04Å
291V85.2Confident87.3Confident65 Ų6537.9 Ų37.939%0.39421%0.214SC..Hα-helixtrans-56.2-47.4-178.3171.40000110.6Y26 L287 C288Y26-V291 HydrophobicContact CE2-CG2 4.37Å; L287-V291 WeakPolarHBondContact O-CG2 3.12Å; L287-V291 PolarHBondContact O-N 3.23Å; C288-V291 WeakPolarHBondContact O-CB 3.43Å; C288-V291 PolarHBondContact O-N 3.27Å
292F81.6Confident87.5Confident44 Ų4442.9 Ų42.919%0.19324%0.235CC..SBendtrans-106.4130.5179.5-54.7-71.6000110.4Q233 L236 A290 K327Q233-F292 HydrophobicContact CB-CD2 4.39Å; Q233-F292 HydrophobicContact CB-CG 4.48Å; Q233-F292 HydrophobicContact CG-CD1 4.4Å; Q233-F292 HydrophobicContact CG-CE1 4.41Å; L236-F292 HydrophobicContact CD2-CZ 4.14Å; A290-F292 VanDerWaalsContact C-N 3.3Å; A290-F292 PolarHBondContact O-N 3.04Å; F292-K327 HydrophobicContact CB-CD 3.87Å; F292-K327 PolarHBondContact O-NZ 3.19Å
293P83.4Confident87.8Confident39 Ų3941.6 Ų41.625%0.25323%0.226SC..  trans-68.1144.4177.830-33000111.3I295 S296 K327P293-I295 WeakPolarHBondContact CB-O 3.22Å; P293-S296 PolarHBondContact O-OG 2.9Å; P293-S296 VanDerWaalsContact O-OG 3.13Å; P293-K327 WeakPolarHBondContact O-CD 3.42Å
294Q81Confident88Confident54 Ų5438.5 Ų38.525%0.25221%0.209SC..SBendtrans-63.4-43.2-179-173175.1800111.4N326 K327Q294-N326 WeakPolarHBondContact CG-OD1 3.39Å; Q294-N326 CarbonylContact O-C 3.46Å; Q294-N326 WeakPolarHBondContact O-CA 3.49Å; Q294-N326 PolarHBondContact O-OD1 3.44Å; Q294-K327 PolarHBondContact O-N 3.37Å
295I84.6Confident88.2Confident85 Ų8542.4 Ų42.444%0.43624%0.235SC..EExtended strand (participates in β ladder)trans-93.9118.2164.8-55.3-57.4000107.9P293 Y324 Y325 N326P293-I295 WeakPolarHBondContact CB-O 3.22Å; I295-Y324 HydrophobicContact CG2-CD1 4.23Å; I295-Y325 WeakPolarHBondContact CA-O 3.42Å; I295-N326 HydrophobicContact CD1-CB 3.77Å
296S86.7Confident88.5Confident12 Ų1247.6 Ų47.68%0.08426%0.262CS..EExtended strand (participates in β ladder)trans-114.2161.9176.2-73.70000109.7P293 Y324 Y325P293-S296 PolarHBondContact O-OG 2.9Å; P293-S296 VanDerWaalsContact O-OG 3.13Å; S296-Y324 CarbonylContact O-C 3.52Å; S296-Y324 WeakPolarHBondContact O-CA 3.2Å; S296-Y325 VanDerWaalsContact CB-CZ 3.43Å; S296-Y325 WeakPolarHBondContact CB-OH 3.42Å; S296-Y325 PolarHBondContact N-O 3.08Å; S296-Y325 VanDerWaalsContact O-CD1 3.31Å; S296-Y325 WeakPolarHBondContact O-CD1 3.47Å; S296-Y325 PolarHBondContact O-N 3.27Å
297S90.3Very high88.8Confident60 Ų6048.1 Ų48.142%0.4227%0.266SS..EExtended strand (participates in β ladder)trans-116.1155.1173.361.80000111.6V323S297-V323 CarbonylContact C-O 3.56Å; S297-V323 WeakPolarHBondContact CA-O 3.22Å
298I92.5Very high88.9Confident3 Ų346.7 Ų46.72%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-135.1139.9171.3-169.1172.3000108.9V225 V226 F300 K302 L303 V322 V323 Y325V225-I298 HydrophobicContact CG1-CD1 4.4Å; V226-I298 HydrophobicContact CG2-CG2 3.88Å; I298-F300 PolarHBondContact O-N 2.87Å; I298-K302 HydrophobicContact CD1-CB 3.95Å; I298-K302 HydrophobicContact CG1-CB 4Å; I298-L303 HydrophobicContact CG2-CD2 3.91Å; I298-V322 CarbonylContact O-C 3.54Å; I298-V322 VanDerWaalsContact O-CA 3.27Å; I298-V322 WeakPolarHBondContact O-CA 3.43Å; I298-V323 HydrophobicContact CG2-CG2 3.47Å; I298-V323 VanDerWaalsContact CG2-CG2 3.47Å; I298-V323 PolarHBondContact N-O 3.46Å; I298-V323 PolarHBondContact O-N 2.91Å; I298-Y325 HydrophobicContact CB-CE1 4.05Å; I298-Y325 HydrophobicContact CG2-CD1 4.35Å; I298-Y325 HydrophobicContact CG2-CE1 4.19Å
299P93.3Very high89.1Confident47 Ų4748 Ų4831%0.30527%0.27SS..EExtended strand (participates in β ladder)trans-56.3136.9171.1-26.736.8000111.9D301 K302P299-D301 WeakPolarHBondContact CB-OD1 3.45Å; P299-D301 PolarHBondContact O-N 3.44Å; P299-K302 HydrophobicContact CB-CD 4.49Å; P299-K302 HydrophobicContact CB-CG 4.32Å; P299-K302 HydrophobicContact CG-CD 4.35Å; P299-K302 PolarHBondContact O-N 3.4Å
300F89.8Confident89.4Confident20 Ų2051.6 Ų51.69%0.08829%0.285CS..G310 helixtrans-57.9-36.4-177169-99.2000112.9I298 K302 L303 Q308 I311 K312 L319 P320 S321I298-F300 PolarHBondContact O-N 2.87Å; F300-K302 PolarHBondContact O-N 3.19Å; F300-L303 HydrophobicContact CD2-CD1 3.92Å; F300-L303 HydrophobicContact CE2-CD1 4.45Å; F300-L303 WeakPolarHBondContact O-CB 3.39Å; F300-L303 WeakPolarHBondContact O-CG 3.48Å; F300-L303 PolarHBondContact O-N 2.97Å; F300-L303 VanDerWaalsContact O-N 3.17Å; F300-Q308 HydrophobicContact CE1-CB 4.27Å; F300-Q308 HydrophobicContact CE1-CG 4.18Å; F300-Q308 HydrophobicContact CE2-CB 4.17Å; F300-Q308 HydrophobicContact CE2-CG 4.12Å; F300-Q308 HydrophobicContact CZ-CB 3.67Å; F300-Q308 HydrophobicContact CZ-CG 3.86Å; F300-I311 HydrophobicContact CD2-CD1 4.2Å; F300-I311 HydrophobicContact CD2-CG2 4.34Å; F300-I311 HydrophobicContact CE2-CB 3.8Å; F300-I311 HydrophobicContact CE2-CD1 3.85Å; F300-I311 HydrophobicContact CE2-CG1 4.44Å; F300-I311 HydrophobicContact CE2-CG2 3.68Å; F300-K312 HydrophobicContact CZ-CG 4.21Å; F300-L319 HydrophobicContact CE1-CD2 4.22Å; F300-L319 HydrophobicContact CE2-CD2 4.34Å; F300-L319 HydrophobicContact CZ-CD2 3.87Å; F300-P320 WeakPolarHBondContact CB-O 3.26Å; F300-P320 HydrophobicContact CD2-CG 4.29Å; F300-S321 PolarHBondContact N-O 3.45Å
301D91.2Very high89.5Confident107 Ų10751.6 Ų51.657%0.57229%0.285SS*.G310 helixtrans-63.2-18.7177.360.9-54.8000113.9P299 Q308P299-D301 WeakPolarHBondContact CB-OD1 3.45Å; P299-D301 PolarHBondContact O-N 3.44Å; D301-Q308 PolarHBondContact O-NE2 3.43Å; D301-Q308 VanDerWaalsContact O-NE2 3.11Å
302K92.7Very high89.7Confident118 Ų11853.1 Ų53.151%0.51329%0.286SS..G310 helixtrans-91.6-1.1178.4-64.5-170.1179.4-178.20114I298 P299 F300I298-K302 HydrophobicContact CD1-CB 3.95Å; I298-K302 HydrophobicContact CG1-CB 4Å; P299-K302 HydrophobicContact CB-CD 4.49Å; P299-K302 HydrophobicContact CB-CG 4.32Å; P299-K302 HydrophobicContact CG-CD 4.35Å; P299-K302 PolarHBondContact O-N 3.4Å; F300-K302 PolarHBondContact O-N 3.19Å
303L92.2Very high90Very high8 Ų858.1 Ų58.14%0.04231%0.31CS..SBendtrans-75.8164.6173.3-61.1173.9000110.8I212 V226 I298 F300 V307 Q308 I311 V323I212-L303 HydrophobicContact CD1-CD1 4.24Å; V226-L303 HydrophobicContact CG2-CD2 3.82Å; I298-L303 HydrophobicContact CG2-CD2 3.91Å; F300-L303 HydrophobicContact CD2-CD1 3.92Å; F300-L303 HydrophobicContact CE2-CD1 4.45Å; F300-L303 WeakPolarHBondContact O-CB 3.39Å; F300-L303 WeakPolarHBondContact O-CG 3.48Å; F300-L303 PolarHBondContact O-N 2.97Å; F300-L303 VanDerWaalsContact O-N 3.17Å; L303-V307 HydrophobicContact CB-CG1 4.43Å; L303-V307 HydrophobicContact CD1-CG1 4.27Å; L303-Q308 HydrophobicContact CB-CG 3.92Å; L303-Q308 PolarHBondContact O-NE2 3.41Å; L303-I311 HydrophobicContact CD1-CD1 3.79Å; L303-V323 HydrophobicContact CD1-CG1 4.1Å; L303-V323 HydrophobicContact CD1-CG2 3.83Å; L303-V323 HydrophobicContact CD2-CG2 4Å; L303-V323 HydrophobicContact CG-CG2 4.33Å
304E94.4Very high90.1Very high25 Ų2560 Ų6012%0.11732%0.318CS..  trans-62.4144.3173.6-55.493.7141.100111.5S223 T224 V225 D306 V307 Q308S223-E304 WeakPolarHBondContact CB-OE2 3.49Å; S223-E304 PolarHBondContact OG-OE1 2.9Å; S223-E304 PolarHBondContact OG-OE2 3.43Å; T224-E304 WeakPolarHBondContact CA-OE1 3.26Å; T224-E304 WeakPolarHBondContact CB-OE1 3.4Å; T224-E304 PolarHBondContact N-OE1 3.39Å; T224-E304 PolarHBondContact OG1-OE1 2.92Å; V225-E304 HydrophobicContact CB-CG 4.43Å; V225-E304 VanDerWaalsContact CG2-CD 3.46Å; V225-E304 HydrophobicContact CG2-CG 3.61Å; V225-E304 PolarHBondContact N-OE1 3.34Å; E304-D306 VanDerWaalsContact C-N 3.28Å; E304-D306 WeakPolarHBondContact CB-OD1 3.49Å; E304-D306 PolarHBondContact O-N 3.24Å; E304-V307 HydrophobicContact CB-CB 4.41Å; E304-V307 HydrophobicContact CB-CG2 4.08Å; E304-V307 PolarHBondContact O-N 2.92Å; E304-V307 VanDerWaalsContact O-N 3.09Å; E304-Q308 WeakPolarHBondContact O-CG 3.33Å; E304-Q308 PolarHBondContact O-N 3.45Å
305P92.6Very high90.1Very high105 Ų10560.7 Ų60.768%0.68232%0.318SS*.Hα-helixtrans-57.8-35-176.2-27.135.4000114.9Q308 A309P305-Q308 PolarHBondContact O-N 3.02Å; P305-A309 WeakPolarHBondContact O-CB 3.45Å; P305-A309 PolarHBondContact O-N 3.04Å
306D93Very high89.6Confident114 Ų11461.4 Ų61.461%0.6133%0.33SS*.Hα-helixtrans-67.1-42.8175.558.7-52.6000111.7E304 Q308 A309 H310E304-D306 VanDerWaalsContact C-N 3.28Å; E304-D306 WeakPolarHBondContact CB-OD1 3.49Å; E304-D306 PolarHBondContact O-N 3.24Å; D306-Q308 VanDerWaalsContact C-N 3.34Å; D306-A309 PolarHBondContact O-N 3.43Å; D306-H310 WeakPolarHBondContact O-CB 3.5Å; D306-H310 PolarHBondContact O-N 3.01Å
307V91.9Very high89.1Confident12 Ų1266.9 Ų66.97%0.07336%0.358CS..Hα-helixtrans-64.6-41.4174179.60000110.4I212 K222 L303 E304 H310 I311I212-V307 HydrophobicContact CD1-CG1 3.61Å; K222-V307 WeakPolarHBondContact O-CG2 3.3Å; L303-V307 HydrophobicContact CB-CG1 4.43Å; L303-V307 HydrophobicContact CD1-CG1 4.27Å; E304-V307 HydrophobicContact CB-CB 4.41Å; E304-V307 HydrophobicContact CB-CG2 4.08Å; E304-V307 PolarHBondContact O-N 2.92Å; E304-V307 VanDerWaalsContact O-N 3.09Å; V307-H310 PolarHBondContact O-N 2.75Å; V307-I311 HydrophobicContact CG1-CD1 3.91Å; V307-I311 VanDerWaalsContact O-CG1 3.25Å; V307-I311 WeakPolarHBondContact O-CG1 3.28Å; V307-I311 PolarHBondContact O-N 3Å
308Q92.1Very high88.6Confident34 Ų3473.5 Ų73.516%0.15937%0.374CS..Hα-helixtrans-62.1-42.6174.9-68.3-176.536.700112.2F300 D301 L303 E304 P305 D306 I311 K312F300-Q308 HydrophobicContact CE1-CB 4.27Å; F300-Q308 HydrophobicContact CE1-CG 4.18Å; F300-Q308 HydrophobicContact CE2-CB 4.17Å; F300-Q308 HydrophobicContact CE2-CG 4.12Å; F300-Q308 HydrophobicContact CZ-CB 3.67Å; F300-Q308 HydrophobicContact CZ-CG 3.86Å; D301-Q308 PolarHBondContact O-NE2 3.43Å; D301-Q308 VanDerWaalsContact O-NE2 3.11Å; L303-Q308 HydrophobicContact CB-CG 3.92Å; L303-Q308 PolarHBondContact O-NE2 3.41Å; E304-Q308 WeakPolarHBondContact O-CG 3.33Å; E304-Q308 PolarHBondContact O-N 3.45Å; P305-Q308 PolarHBondContact O-N 3.02Å; D306-Q308 VanDerWaalsContact C-N 3.34Å; Q308-I311 PolarHBondContact O-N 2.72Å; Q308-K312 WeakPolarHBondContact O-CB 3.34Å; Q308-K312 VanDerWaalsContact O-CG 3.27Å; Q308-K312 WeakPolarHBondContact O-CG 3.47Å; Q308-K312 PolarHBondContact O-N 2.83Å
309A91.2Very high88.1Confident46 Ų4677.3 Ų77.338%0.3839%0.394SS..Hα-helixtrans-63-45.7177.400000111.2P305 D306 I311 K312 E313P305-A309 WeakPolarHBondContact O-CB 3.45Å; P305-A309 PolarHBondContact O-N 3.04Å; D306-A309 PolarHBondContact O-N 3.43Å; A309-I311 PolarHBondContact O-N 3.03Å; A309-K312 WeakPolarHBondContact O-CB 3.22Å; A309-K312 PolarHBondContact O-N 3.18Å; A309-K312 VanDerWaalsContact O-N 3.13Å; A309-E313 WeakPolarHBondContact O-CG 3.17Å; A309-E313 PolarHBondContact O-N 3.35Å
310H90.7Very high87.6Confident86 Ų8676.4 Ų76.440%0.39839%0.389SS..Hα-helixtrans-59.6-44.4177-176.258.5000112.7D306 V307 K312 E313 I314D306-H310 WeakPolarHBondContact O-CB 3.5Å; D306-H310 PolarHBondContact O-N 3.01Å; V307-H310 PolarHBondContact O-N 2.75Å; H310-K312 VanDerWaalsContact C-N 3.31Å; H310-K312 PolarHBondContact O-N 2.93Å; H310-E313 WeakPolarHBondContact O-CB 3.49Å; H310-E313 PolarHBondContact O-N 2.77Å; H310-I314 VanDerWaalsContact NE2-CD1 3.32Å; H310-I314 WeakPolarHBondContact NE2-CD1 3.45Å; H310-I314 WeakPolarHBondContact O-CG1 3.32Å; H310-I314 PolarHBondContact O-N 2.89Å; H310-I314 VanDerWaalsContact O-N 3.15Å
311I89.4Confident87.5Confident0 Ų080.2 Ų80.20%042%0.418CS..Hα-helixtrans-65.6-37176.9-65.6167.5000111I212 L220 F300 L303 V307 Q308 A309 E313 I314 R315 L319 P320I212-I311 HydrophobicContact CD1-CD1 3.65Å; L220-I311 HydrophobicContact CB-CD1 4.37Å; L220-I311 HydrophobicContact CB-CG1 4.18Å; F300-I311 HydrophobicContact CD2-CD1 4.2Å; F300-I311 HydrophobicContact CD2-CG2 4.34Å; F300-I311 HydrophobicContact CE2-CB 3.8Å; F300-I311 HydrophobicContact CE2-CD1 3.85Å; F300-I311 HydrophobicContact CE2-CG1 4.44Å; F300-I311 HydrophobicContact CE2-CG2 3.68Å; L303-I311 HydrophobicContact CD1-CD1 3.79Å; V307-I311 HydrophobicContact CG1-CD1 3.91Å; V307-I311 VanDerWaalsContact O-CG1 3.25Å; V307-I311 WeakPolarHBondContact O-CG1 3.28Å; V307-I311 PolarHBondContact O-N 3Å; Q308-I311 PolarHBondContact O-N 2.72Å; A309-I311 PolarHBondContact O-N 3.03Å; I311-E313 VanDerWaalsContact C-N 3.3Å; I311-E313 PolarHBondContact O-N 3.27Å; I311-I314 PolarHBondContact O-N 3.34Å; I311-R315 WeakPolarHBondContact O-CB 3.32Å; I311-R315 PolarHBondContact O-N 3.26Å; I311-L319 HydrophobicContact CG2-CD2 4.37Å; I311-P320 HydrophobicContact CG2-CG 4.27Å
312K89.8Confident87.6Confident97 Ų9777 Ų7742%0.42240%0.402SS..Hα-helixtrans-62.9-34.6174.6-77167.5-179178.30112.8F300 Q308 A309 H310 S316 L319F300-K312 HydrophobicContact CZ-CG 4.21Å; Q308-K312 WeakPolarHBondContact O-CB 3.34Å; Q308-K312 VanDerWaalsContact O-CG 3.27Å; Q308-K312 WeakPolarHBondContact O-CG 3.47Å; Q308-K312 PolarHBondContact O-N 2.83Å; A309-K312 WeakPolarHBondContact O-CB 3.22Å; A309-K312 PolarHBondContact O-N 3.18Å; A309-K312 VanDerWaalsContact O-N 3.13Å; H310-K312 VanDerWaalsContact C-N 3.31Å; H310-K312 PolarHBondContact O-N 2.93Å; K312-S316 WeakPolarHBondContact O-CA 3.12Å; K312-S316 WeakPolarHBondContact O-CB 3.42Å; K312-S316 PolarHBondContact O-N 2.65Å; K312-S316 VanDerWaalsContact O-N 3.15Å; K312-L319 HydrophobicContact CB-CD2 4.27Å; K312-L319 HydrophobicContact CG-CD1 3.99Å; K312-L319 HydrophobicContact CG-CD2 3.45Å; K312-L319 VanDerWaalsContact CG-CD2 3.45Å; K312-L319 HydrophobicContact CG-CG 4.31Å
313E87.6Confident87.5Confident149 Ų14971.4 Ų71.470%0.69638%0.378SS*.Hα-helixtrans-67.7-42.3174.4-69.8171179.400111.5A309 H310 I311A309-E313 WeakPolarHBondContact O-CG 3.17Å; A309-E313 PolarHBondContact O-N 3.35Å; H310-E313 WeakPolarHBondContact O-CB 3.49Å; H310-E313 PolarHBondContact O-N 2.77Å; I311-E313 VanDerWaalsContact C-N 3.3Å; I311-E313 PolarHBondContact O-N 3.27Å
314I85.7Confident87.5Confident79 Ų7975 Ų7541%0.40539%0.391SS..Hα-helixtrans-75.7-36-178.5-62169.3000112.2H310 I311H310-I314 VanDerWaalsContact NE2-CD1 3.32Å; H310-I314 WeakPolarHBondContact NE2-CD1 3.45Å; H310-I314 WeakPolarHBondContact O-CG1 3.32Å; H310-I314 PolarHBondContact O-N 2.89Å; H310-I314 VanDerWaalsContact O-N 3.15Å; I311-I314 PolarHBondContact O-N 3.34Å
315R81.4Confident87.2Confident67 Ų6773.8 Ų73.825%0.25339%0.386SS..THydrogen-bonded Turntrans-124.446.5-171.4-63.1-64.2-162.3-138.31.5112D214 E218 L220 I311 D317 R318D214-R315 IonicContact OD2-CZ 2.8Å; D214-R315 IonicContact OD2-NE 3.42Å; D214-R315 IonicContact OD2-NH2 3.92Å; D214-R315 PolarHBondContact OD2-NH2 2.72Å; E218-R315 IonicContact OE2-CZ 3.7Å; E218-R315 IonicContact OE2-NH1 3.9Å; E218-R315 IonicContact OE2-NH2 2.65Å; E218-R315 PolarHBondContact OE2-NH2 3.32Å; L220-R315 HydrophobicContact CD2-CG 4.18Å; I311-R315 WeakPolarHBondContact O-CB 3.32Å; I311-R315 PolarHBondContact O-N 3.26Å; R315-D317 PolarHBondContact O-N 3.15Å; R315-D317 VanDerWaalsContact O-N 3.13Å; R315-R318 CarbonylContact O-C 3.19Å; R315-R318 PolarHBondContact O-N 3.5Å
316S73.4Confident86.8Confident100 Ų10072.3 Ų72.370%0.69937%0.372SS*.THydrogen-bonded Turntrans-55.9-29.3-175.548.90000114.3K312K312-S316 WeakPolarHBondContact O-CA 3.12Å; K312-S316 WeakPolarHBondContact O-CB 3.42Å; K312-S316 PolarHBondContact O-N 2.65Å; K312-S316 VanDerWaalsContact O-N 3.15Å
317D76.4Confident86.1Confident127 Ų12767 Ų6768%0.67934%0.343SS*.THydrogen-bonded Turntrans-91.4-24.4-178.364.3-38.6000114.3R315R315-D317 PolarHBondContact O-N 3.15Å; R315-D317 VanDerWaalsContact O-N 3.13Å
318R80.4Confident85.2Confident199 Ų19967.4 Ų67.475%0.75135%0.349SS*.  trans-145.282.6-176-67.8-173.4-176.1175.32.6112.4R315R315-R318 CarbonylContact O-C 3.19Å; R315-R318 PolarHBondContact O-N 3.5Å
319L82Confident83.7Confident83 Ų8369.3 Ų69.344%0.43536%0.36SS..  trans-68.5128.3173.9-74.3165.6000111.1F300 I311 K312F300-L319 HydrophobicContact CE1-CD2 4.22Å; F300-L319 HydrophobicContact CE2-CD2 4.34Å; F300-L319 HydrophobicContact CZ-CD2 3.87Å; I311-L319 HydrophobicContact CG2-CD2 4.37Å; K312-L319 HydrophobicContact CB-CD2 4.27Å; K312-L319 HydrophobicContact CG-CD1 3.99Å; K312-L319 HydrophobicContact CG-CD2 3.45Å; K312-L319 VanDerWaalsContact CG-CD2 3.45Å; K312-L319 HydrophobicContact CG-CG 4.31Å
320P82.3Confident83.3Confident29 Ų2970.5 Ų70.519%0.18836%0.359CS..  trans-67.1137.9175.727.9-33000109.8L220 F300 I311 V322 V323L220-P320 HydrophobicContact CD1-CG 4.22Å; F300-P320 WeakPolarHBondContact CB-O 3.26Å; F300-P320 HydrophobicContact CD2-CG 4.29Å; I311-P320 HydrophobicContact CG2-CG 4.27Å; P320-V322 VanDerWaalsContact C-N 3.31Å; P320-V322 WeakPolarHBondContact CB-O 3.16Å; P320-V323 HydrophobicContact CB-CG1 4.41Å; P320-V323 HydrophobicContact CG-CG1 3.93Å
321S87.5Confident82.9Confident100 Ų10069.7 Ų69.770%0.69936%0.357SS*.SBendtrans-70.4-33.9170.459.10000111.3F300F300-S321 PolarHBondContact N-O 3.45Å
322V92.2Very high82.5Confident40 Ų4073.6 Ų73.624%0.24238%0.377CS..EExtended strand (participates in β ladder)trans-136.7146.1177-62.30000110.3I298 P320 Y324I298-V322 CarbonylContact O-C 3.54Å; I298-V322 VanDerWaalsContact O-CA 3.27Å; I298-V322 WeakPolarHBondContact O-CA 3.43Å; P320-V322 VanDerWaalsContact C-N 3.31Å; P320-V322 WeakPolarHBondContact CB-O 3.16Å; V322-Y324 HydrophobicContact CG2-CE2 4.29Å
323V91.5Very high82.1Confident0 Ų072.2 Ų72.20%038%0.375CS..EExtended strand (participates in β ladder)trans-109.8152.9169-57.50000109.9I212 L220 S297 I298 L303 P320I212-V323 HydrophobicContact CB-CB 4.47Å; I212-V323 HydrophobicContact CB-CG2 4.27Å; I212-V323 HydrophobicContact CG2-CG2 4.15Å; L220-V323 HydrophobicContact CD1-CG1 3.79Å; S297-V323 CarbonylContact C-O 3.56Å; S297-V323 WeakPolarHBondContact CA-O 3.22Å; I298-V323 HydrophobicContact CG2-CG2 3.47Å; I298-V323 VanDerWaalsContact CG2-CG2 3.47Å; I298-V323 PolarHBondContact N-O 3.46Å; I298-V323 PolarHBondContact O-N 2.91Å; L303-V323 HydrophobicContact CD1-CG1 4.1Å; L303-V323 HydrophobicContact CD1-CG2 3.83Å; L303-V323 HydrophobicContact CD2-CG2 4Å; L303-V323 HydrophobicContact CG-CG2 4.33Å; P320-V323 HydrophobicContact CB-CG1 4.41Å; P320-V323 HydrophobicContact CG-CG1 3.93Å
324Y91.8Very high81.8Confident82 Ų8267.4 Ų67.432%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-105.2150-178.2-60-88.6000111.1I212 L213 E215 I295 S296 V322I212-Y324 CarbonylContact C-O 3.54Å; I212-Y324 WeakPolarHBondContact CA-O 3.47Å; L213-Y324 PolarHBondContact N-O 3.08Å; L213-Y324 PolarHBondContact O-N 3.11Å; E215-Y324 HydrophobicContact CB-CE2 4.02Å; I295-Y324 HydrophobicContact CG2-CD1 4.23Å; S296-Y324 CarbonylContact O-C 3.52Å; S296-Y324 WeakPolarHBondContact O-CA 3.2Å; V322-Y324 HydrophobicContact CG2-CE2 4.29Å
325Y88.4Confident81.5Confident1 Ų166.6 Ų66.60%0.00435%0.351CS..EExtended strand (participates in β ladder)trans-150.7152176.961.4-84.7000111.1V226 A230 I295 S296 I298 K327V226-Y325 VanDerWaalsContact CG1-CB 3.47Å; V226-Y325 HydrophobicContact CG1-CD1 3.66Å; V226-Y325 HydrophobicContact CG1-CD2 3.37Å; V226-Y325 HydrophobicContact CG1-CE1 4.21Å; V226-Y325 HydrophobicContact CG1-CE2 3.94Å; V226-Y325 HydrophobicContact CG1-CG 3.2Å; V226-Y325 HydrophobicContact CG2-CD1 4.37Å; A230-Y325 HydrophobicContact CB-CD2 4.49Å; A230-Y325 HydrophobicContact CB-CE2 4.22Å; I295-Y325 WeakPolarHBondContact CA-O 3.42Å; S296-Y325 VanDerWaalsContact CB-CZ 3.43Å; S296-Y325 WeakPolarHBondContact CB-OH 3.42Å; S296-Y325 PolarHBondContact N-O 3.08Å; S296-Y325 VanDerWaalsContact O-CD1 3.31Å; S296-Y325 WeakPolarHBondContact O-CD1 3.47Å; S296-Y325 PolarHBondContact O-N 3.27Å; I298-Y325 HydrophobicContact CB-CE1 4.05Å; I298-Y325 HydrophobicContact CG2-CD1 4.35Å; I298-Y325 HydrophobicContact CG2-CE1 4.19Å; Y325-K327 HydrophobicContact CE2-CB 4.4Å
326N85.1Confident81.5Confident73 Ų7366.6 Ų66.639%0.3936%0.358SS..EExtended strand (participates in β ladder)trans-87.9115.5173.6-169.7-19.5000109.7Q294 I295 G328Q294-N326 WeakPolarHBondContact CG-OD1 3.39Å; Q294-N326 CarbonylContact O-C 3.46Å; Q294-N326 WeakPolarHBondContact O-CA 3.49Å; Q294-N326 PolarHBondContact O-OD1 3.44Å; I295-N326 HydrophobicContact CD1-CB 3.77Å; N326-G328 VanDerWaalsContact C-N 3.25Å; N326-G328 PolarHBondContact O-N 3.27Å; N326-G328 PolarHBondContact OD1-N 3.11Å
327K77.9Confident82.1Confident4 Ų464 Ų642%0.01733%0.332CS..  trans-72.8-17.8177.997.4-180177178.80112.2R202 A230 V234 F292 P293 Q294 Y325R202-K327 PolarHBondContact NH1-O 3.34Å; R202-K327 PolarHBondContact NH2-O 2.78Å; A230-K327 HydrophobicContact CB-CB 4.17Å; V234-K327 HydrophobicContact CG2-CG 4.47Å; F292-K327 HydrophobicContact CB-CD 3.87Å; F292-K327 PolarHBondContact O-NZ 3.19Å; P293-K327 WeakPolarHBondContact O-CD 3.42Å; Q294-K327 PolarHBondContact O-N 3.37Å; Y325-K327 HydrophobicContact CE2-CB 4.4Å
328G72.3Confident82.6Confident19 Ų1958.8 Ų58.820%0.19630%0.303CS..  trans72.5-176.8-166.500000114.2N326N326-G328 VanDerWaalsContact C-N 3.25Å; N326-G328 PolarHBondContact O-N 3.27Å; N326-G328 PolarHBondContact OD1-N 3.11Å
329L60.1Low82.8Confident75 Ų7546 Ų4639%0.39326%0.262SS..  trans-112.50175-62.8177.7000111.6F33 R238F33-L329 HydrophobicContact CE1-CD1 3.96Å; F33-L329 HydrophobicContact CE1-CD2 3.45Å; F33-L329 VanDerWaalsContact CE1-CD2 3.45Å; F33-L329 HydrophobicContact CE1-CG 4.36Å; F33-L329 HydrophobicContact CZ-CD2 3.36Å; R238-L329 PolarHBondContact NH2-OXT 3.31Å

Retrieved 329 of 329 residues in 135.7 ms (Link to these results)

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