A0A087Y620_POEFO Loading...

Ankyrin repeat and SOCS box containing 10

AlphaFold DB , UniProt , Accession A0A087Y620, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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
1M38.3Very low52.8Low245 Ų245130.4 Ų130.4100%1.20775%0.749SS**  093.30-60.1-172.987.100107.4
2S38.8Very low54Low121 Ų121122.2 Ų122.285%0.84671%0.709SS**  trans-83.7115.7-179.947.30000109.6G4S2-G4 PolarHBondContact O-N 3.26Å
3Q46.6Very low55.5Low196 Ų196119.7 Ų119.792%0.91669%0.691SS**  trans-6896165.2-74.6-176.8-19.200108.2S5Q3-S5 PolarHBondContact O-N 3.19Å
4G40.9Very low56.7Low60 Ų60124.2 Ų124.262%0.61969%0.691SS**  trans-78.198.6168.500000109.3S2 F6S2-G4 PolarHBondContact O-N 3.26Å; G4-F6 PolarHBondContact O-N 3.01Å; G4-F6 VanDerWaalsContact O-N 3.15Å
5S51Low57.5Low102 Ų102120.1 Ų120.171%0.71367%0.674SS**  trans-64.4107.4164.653.40000108.4Q3 V7Q3-S5 PolarHBondContact O-N 3.19Å; S5-V7 PolarHBondContact O-N 3.08Å
6F50.3Low58.4Low192 Ų192118.3 Ų118.384%0.84266%0.661SS**  trans-64.7107.8169.7-82.3-89.7000108.5G4 F8G4-F6 PolarHBondContact O-N 3.01Å; G4-F6 VanDerWaalsContact O-N 3.15Å; F6-F8 PolarHBondContact O-N 3.23Å
7V52.6Low59.6Low131 Ų131119.2 Ų119.279%0.79466%0.659SS**  trans-77.3106.1170.9-179.20000106.6S5 S9S5-V7 PolarHBondContact O-N 3.08Å; V7-S9 PolarHBondContact O-N 3.13Å
8F54.9Low60.4Low120 Ų120118.3 Ų118.353%0.52665%0.653SS.*  trans-59.4131.8170.8-72.3-83.9000108.9F6 A12 L13 L16F6-F8 PolarHBondContact O-N 3.23Å; F8-A12 HydrophobicContact CB-CB 4.37Å; F8-A12 HydrophobicContact CD1-CB 4.16Å; F8-L13 HydrophobicContact CB-CD1 4.43Å; F8-L13 HydrophobicContact CB-CD2 3.8Å; F8-L13 HydrophobicContact CB-CG 3.77Å; F8-L13 HydrophobicContact CG-CD2 4.29Å; F8-L16 HydrophobicContact CD1-CD1 4.39Å; F8-L16 HydrophobicContact CE1-CD1 4.32Å
9S70.9Confident60.9Low63 Ų63116.2 Ų116.244%0.44164%0.64SS.*  trans-60.9150.7170.759.20000109.7V7 T11 A12 L13V7-S9 PolarHBondContact O-N 3.13Å; S9-T11 PolarHBondContact O-N 3.23Å; S9-T11 VanDerWaalsContact O-N 3.08Å; S9-T11 PolarHBondContact OG-OG1 3.3Å; S9-T11 VanDerWaalsContact OG-OG1 3.11Å; S9-A12 WeakPolarHBondContact O-CB 3.21Å; S9-A12 PolarHBondContact O-N 3.21Å; S9-A12 WeakPolarHBondContact OG-CB 3.29Å; S9-A12 PolarHBondContact OG-N 3.39Å; S9-L13 PolarHBondContact O-N 3.01Å
10S67.9Low61.5Low102 Ų102117 Ų11771%0.71364%0.637SS**Hα-helixtrans-55.6-28.7177.856.80000112.8R14S10-R14 WeakPolarHBondContact O-CB 3.22Å; S10-R14 PolarHBondContact O-N 3.38Å; S10-R14 VanDerWaalsContact O-N 3.12Å
11T68.6Low62.2Low102 Ų102114.6 Ų114.663%0.62662%0.624SS**Hα-helixtrans-70.6-39.8172.636.30000113.2S9 R14 S15S9-T11 PolarHBondContact O-N 3.23Å; S9-T11 VanDerWaalsContact O-N 3.08Å; S9-T11 PolarHBondContact OG-OG1 3.3Å; S9-T11 VanDerWaalsContact OG-OG1 3.11Å; T11-R14 PolarHBondContact O-N 3.34Å; T11-S15 PolarHBondContact O-N 3.27Å
12A67.2Low63.6Low32 Ų32108.6 Ų108.626%0.26459%0.594SS.*Hα-helixtrans-67.9-38.4176.200000111.8F8 S9 S15 L16F8-A12 HydrophobicContact CB-CB 4.37Å; F8-A12 HydrophobicContact CD1-CB 4.16Å; S9-A12 WeakPolarHBondContact O-CB 3.21Å; S9-A12 PolarHBondContact O-N 3.21Å; S9-A12 WeakPolarHBondContact OG-CB 3.29Å; S9-A12 PolarHBondContact OG-N 3.39Å; A12-S15 PolarHBondContact O-N 3.18Å; A12-L16 WeakPolarHBondContact O-CG 3.49Å; A12-L16 PolarHBondContact O-N 3.5Å
13L73.5Confident64.7Low90 Ų90108 Ų10847%0.47158%0.581SS.*Hα-helixtrans-63.2-42.1173.2-69.8174.4000111.6F8 S9 S15 L16 E17F8-L13 HydrophobicContact CB-CD1 4.43Å; F8-L13 HydrophobicContact CB-CD2 3.8Å; F8-L13 HydrophobicContact CB-CG 3.77Å; F8-L13 HydrophobicContact CG-CD2 4.29Å; S9-L13 PolarHBondContact O-N 3.01Å; L13-S15 PolarHBondContact O-N 3.28Å; L13-L16 PolarHBondContact O-N 3.04Å; L13-E17 WeakPolarHBondContact O-CB 3.32Å; L13-E17 PolarHBondContact O-N 3.36Å
14R72.2Confident65.9Low183 Ų183103.5 Ų103.569%0.69156%0.56SS**Hα-helixtrans-66.9-34.6177.4-161175.4-173.6-177.41112.9S10 T11 L18S10-R14 WeakPolarHBondContact O-CB 3.22Å; S10-R14 PolarHBondContact O-N 3.38Å; S10-R14 VanDerWaalsContact O-N 3.12Å; T11-R14 PolarHBondContact O-N 3.34Å; R14-L18 WeakPolarHBondContact O-CG 3.36Å; R14-L18 PolarHBondContact O-N 3.46Å
15S68.9Low66.9Low62 Ų62106.2 Ų106.243%0.43455%0.551SS.*Hα-helixtrans-66.8-44.5173.3-167.60000111.6T11 A12 L13 E17 L18 D19T11-S15 PolarHBondContact O-N 3.27Å; A12-S15 PolarHBondContact O-N 3.18Å; L13-S15 PolarHBondContact O-N 3.28Å; S15-E17 VanDerWaalsContact C-N 3.28Å; S15-E17 PolarHBondContact O-N 2.9Å; S15-L18 PolarHBondContact O-N 2.95Å; S15-D19 PolarHBondContact O-N 3.09Å
16L72.2Confident67Low91 Ų91107.6 Ų107.648%0.47655%0.546SS..Hα-helixtrans-63.6-35.8176.4-79.2167.5000112.2F8 A12 L13 D19 K20F8-L16 HydrophobicContact CD1-CD1 4.39Å; F8-L16 HydrophobicContact CE1-CD1 4.32Å; A12-L16 WeakPolarHBondContact O-CG 3.49Å; A12-L16 PolarHBondContact O-N 3.5Å; L13-L16 PolarHBondContact O-N 3.04Å; L16-D19 PolarHBondContact O-N 3.26Å; L16-K20 VanDerWaalsContact O-CB 3.3Å; L16-K20 WeakPolarHBondContact O-CB 3.46Å; L16-K20 PolarHBondContact O-N 2.98Å
17E77.5Confident67.3Low134 Ų134104.8 Ų104.863%0.62653%0.534SS*.Hα-helixtrans-68.1-41.3176.4-158.3156.3-142.900111.1L13 S15 K20 D21L13-E17 WeakPolarHBondContact O-CB 3.32Å; L13-E17 PolarHBondContact O-N 3.36Å; S15-E17 VanDerWaalsContact C-N 3.28Å; S15-E17 PolarHBondContact O-N 2.9Å; E17-K20 PolarHBondContact O-N 3.09Å; E17-D21 WeakPolarHBondContact O-CB 3.49Å; E17-D21 PolarHBondContact O-N 2.94Å
18L75.3Confident67.7Low104 Ų104105.7 Ų105.755%0.54552%0.524SS..Hα-helixtrans-63.8-41.8172.5-76.6168.7000113.1R14 S15 K20 D21 M22R14-L18 WeakPolarHBondContact O-CG 3.36Å; R14-L18 PolarHBondContact O-N 3.46Å; S15-L18 PolarHBondContact O-N 2.95Å; L18-K20 VanDerWaalsContact C-N 3.33Å; L18-D21 WeakPolarHBondContact O-CB 3.25Å; L18-D21 PolarHBondContact O-N 3.37Å; L18-M22 WeakPolarHBondContact O-CG 3.48Å; L18-M22 PolarHBondContact O-N 2.97Å
19D69.2Low67.5Low78 Ų78105.6 Ų105.642%0.41752%0.523SS..Hα-helixtrans-65.9-38.2176.9-77.3-20.9000111.5S15 L16 M22 L23S15-D19 PolarHBondContact O-N 3.09Å; L16-D19 PolarHBondContact O-N 3.26Å; D19-M22 PolarHBondContact O-N 3.45Å; D19-L23 WeakPolarHBondContact O-CB 3.49Å; D19-L23 PolarHBondContact O-N 3.12Å
20K73.7Confident66.3Low131 Ų131106 Ų10657%0.5752%0.523SS*.Hα-helixtrans-65-43.2173.8-168.1-176.4176-168.70111.2L16 E17 L18 M22 L23 E24L16-K20 VanDerWaalsContact O-CB 3.3Å; L16-K20 WeakPolarHBondContact O-CB 3.46Å; L16-K20 PolarHBondContact O-N 2.98Å; E17-K20 PolarHBondContact O-N 3.09Å; L18-K20 VanDerWaalsContact C-N 3.33Å; K20-M22 VanDerWaalsContact C-N 3.34Å; K20-M22 PolarHBondContact O-N 3.19Å; K20-L23 PolarHBondContact O-N 3.2Å; K20-E24 WeakPolarHBondContact CE-OE1 3.44Å; K20-E24 WeakPolarHBondContact O-CG 3.24Å; K20-E24 PolarHBondContact O-N 2.57Å
21D76.5Confident65.5Low68 Ų68106 Ų10636%0.36451%0.512SS..Hα-helixtrans-60.5-42.7174.3-119.444.4000111.4E17 L18 E24 R25E17-D21 WeakPolarHBondContact O-CB 3.49Å; E17-D21 PolarHBondContact O-N 2.94Å; L18-D21 WeakPolarHBondContact O-CB 3.25Å; L18-D21 PolarHBondContact O-N 3.37Å; D21-E24 PolarHBondContact O-N 3.14Å; D21-R25 WeakPolarHBondContact O-CB 3.45Å; D21-R25 WeakPolarHBondContact O-CD 3.39Å; D21-R25 WeakPolarHBondContact O-CG 3.26Å; D21-R25 PolarHBondContact O-N 3.49Å; D21-R25 IonicContact OD2-CZ 3.82Å; D21-R25 IonicContact OD2-NE 2.69Å; D21-R25 IonicContact OD2-NH2 3.89Å; D21-R25 PolarHBondContact OD2-NH2 3.08Å
22M65.9Low64.7Low118 Ų118104.7 Ų104.758%0.58150%0.501SS*.Hα-helixtrans-64.1-40.7174.6-75.9-131.4-66.800112.5L18 D19 K20 R25 H26L18-M22 WeakPolarHBondContact O-CG 3.48Å; L18-M22 PolarHBondContact O-N 2.97Å; D19-M22 PolarHBondContact O-N 3.45Å; K20-M22 VanDerWaalsContact C-N 3.34Å; K20-M22 PolarHBondContact O-N 3.19Å; M22-R25 WeakPolarHBondContact O-CB 3.49Å; M22-R25 PolarHBondContact O-N 3.4Å; M22-H26 WeakPolarHBondContact O-CB 3.46Å; M22-H26 PolarHBondContact O-N 3.34Å
23L63.6Low63.8Low108 Ų108105.4 Ų105.457%0.56551%0.506SS*.Hα-helixtrans-66.2-41.1175.7-92.5156.5000112.3D19 K20 R25 H26 K27D19-L23 WeakPolarHBondContact O-CB 3.49Å; D19-L23 PolarHBondContact O-N 3.12Å; K20-L23 PolarHBondContact O-N 3.2Å; L23-R25 VanDerWaalsContact C-N 3.35Å; L23-H26 PolarHBondContact O-N 2.76Å; L23-K27 WeakPolarHBondContact O-CG 3.32Å; L23-K27 PolarHBondContact O-N 3.16Å
24E70.8Confident62.4Low102 Ų102104.4 Ų104.448%0.47750%0.504SS..Hα-helixtrans-66.3-38.1174.6-74.6-176.8-169.700111.3K20 D21 K27 Y28K20-E24 WeakPolarHBondContact CE-OE1 3.44Å; K20-E24 WeakPolarHBondContact O-CG 3.24Å; K20-E24 PolarHBondContact O-N 2.57Å; D21-E24 PolarHBondContact O-N 3.14Å; E24-K27 PolarHBondContact O-N 3.15Å; E24-Y28 WeakPolarHBondContact O-CB 3.19Å; E24-Y28 PolarHBondContact O-N 2.93Å
25R62.1Low61.2Low117 Ų117101.9 Ų101.944%0.44250%0.5SS..Hα-helixtrans-63.1-41.5171.2-72.9167.4-159.5-172.36.1112.4D21 M22 L23 Y28 K29D21-R25 WeakPolarHBondContact O-CB 3.45Å; D21-R25 WeakPolarHBondContact O-CD 3.39Å; D21-R25 WeakPolarHBondContact O-CG 3.26Å; D21-R25 PolarHBondContact O-N 3.49Å; D21-R25 IonicContact OD2-CZ 3.82Å; D21-R25 IonicContact OD2-NE 2.69Å; D21-R25 IonicContact OD2-NH2 3.89Å; D21-R25 PolarHBondContact OD2-NH2 3.08Å; M22-R25 WeakPolarHBondContact O-CB 3.49Å; M22-R25 PolarHBondContact O-N 3.4Å; L23-R25 VanDerWaalsContact C-N 3.35Å; R25-Y28 PolarHBondContact O-N 2.97Å; R25-K29 WeakPolarHBondContact O-CB 3.33Å; R25-K29 WeakPolarHBondContact O-CG 3.23Å; R25-K29 PolarHBondContact O-N 2.98Å
26H54Low60.2Low131 Ų131103.7 Ų103.761%0.60650%0.501SS*.Hα-helixtrans-63.8-45.4176.6-155.965.3000110.1M22 L23 Y28 K29 T30M22-H26 WeakPolarHBondContact O-CB 3.46Å; M22-H26 PolarHBondContact O-N 3.34Å; L23-H26 PolarHBondContact O-N 2.76Å; H26-Y28 PolarHBondContact O-N 3.29Å; H26-K29 PolarHBondContact O-N 2.9Å; H26-T30 WeakPolarHBondContact O-CB 3.4Å; H26-T30 PolarHBondContact O-N 3.29Å; H26-T30 PolarHBondContact O-OG1 3.43Å
27K56.1Low59Low134 Ų134104.1 Ų104.158%0.58350%0.504SS*.Hα-helixtrans-59.3-41.7174.2-74.9177.6-179179.10112.9L23 E24 T30 Q31L23-K27 WeakPolarHBondContact O-CG 3.32Å; L23-K27 PolarHBondContact O-N 3.16Å; E24-K27 PolarHBondContact O-N 3.15Å; K27-T30 PolarHBondContact O-N 3.34Å; K27-Q31 WeakPolarHBondContact O-CB 3.28Å; K27-Q31 VanDerWaalsContact O-CG 3.26Å; K27-Q31 WeakPolarHBondContact O-CG 3.36Å; K27-Q31 PolarHBondContact O-N 2.77Å
28Y60.5Low57.7Low149 Ų149100.3 Ų100.358%0.58449%0.492SS*.Hα-helixtrans-69.5-39.6178.6-159.4-97.1000112E24 R25 H26 Q31 L32E24-Y28 WeakPolarHBondContact O-CB 3.19Å; E24-Y28 PolarHBondContact O-N 2.93Å; R25-Y28 PolarHBondContact O-N 2.97Å; H26-Y28 PolarHBondContact O-N 3.29Å; Y28-Q31 PolarHBondContact O-N 2.9Å; Y28-L32 HydrophobicContact CD1-CD1 3.71Å; Y28-L32 HydrophobicContact CD1-CG 4.18Å; Y28-L32 HydrophobicContact CE1-CD1 3.65Å; Y28-L32 HydrophobicContact CE1-CD2 4.49Å; Y28-L32 HydrophobicContact CE1-CG 4.05Å; Y28-L32 PolarHBondContact O-N 3.29Å
29K51Low56.4Low119 Ų11997.8 Ų97.852%0.51748%0.483SS..Hα-helixtrans-62.3-43.6171.2-77.9-168.6173-160.30111.7R25 H26 Q31 L32 A33 D291R25-K29 WeakPolarHBondContact O-CB 3.33Å; R25-K29 WeakPolarHBondContact O-CG 3.23Å; R25-K29 PolarHBondContact O-N 2.98Å; H26-K29 PolarHBondContact O-N 2.9Å; K29-Q31 VanDerWaalsContact C-N 3.3Å; K29-Q31 PolarHBondContact O-N 2.97Å; K29-L32 PolarHBondContact O-N 3.04Å; K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.28Å; K29-A33 PolarHBondContact O-N 3Å; K29-D291 IonicContact NZ-OD1 3.72Å
30T45.1Very low55.6Low70 Ų7096.8 Ų96.843%0.42947%0.474SS..Hα-helixtrans-62.7-38.5173-48.30000110.7H26 K27 A33 T34H26-T30 WeakPolarHBondContact O-CB 3.4Å; H26-T30 PolarHBondContact O-N 3.29Å; H26-T30 PolarHBondContact O-OG1 3.43Å; K27-T30 PolarHBondContact O-N 3.34Å; T30-A33 PolarHBondContact O-N 3.27Å; T30-T34 HydrophobicContact CG2-CG2 4.34Å; T30-T34 WeakPolarHBondContact O-CB 3.15Å; T30-T34 WeakPolarHBondContact O-CG2 3.31Å; T30-T34 PolarHBondContact O-N 3.05Å; T30-T34 PolarHBondContact O-OG1 3.19Å; T30-T34 VanDerWaalsContact O-OG1 3.11Å
31Q51.7Low54.7Low104 Ų10495 Ų9549%0.48647%0.468SS..Hα-helixtrans-66.6-44.6177.6-80.3173.6-4.600112.9K27 Y28 K29 T34 H35K27-Q31 WeakPolarHBondContact O-CB 3.28Å; K27-Q31 VanDerWaalsContact O-CG 3.26Å; K27-Q31 WeakPolarHBondContact O-CG 3.36Å; K27-Q31 PolarHBondContact O-N 2.77Å; Y28-Q31 PolarHBondContact O-N 2.9Å; K29-Q31 VanDerWaalsContact C-N 3.3Å; K29-Q31 PolarHBondContact O-N 2.97Å; Q31-T34 VanDerWaalsContact C-OG1 3.27Å; Q31-T34 WeakPolarHBondContact CA-OG1 3.26Å; Q31-T34 CarbonylContact O-C 3.5Å; Q31-T34 PolarHBondContact O-N 3.26Å; Q31-T34 PolarHBondContact O-OG1 3.44Å; Q31-H35 PolarHBondContact O-CD2 3.31Å; Q31-H35 VanDerWaalsContact O-CD2 3.23Å; Q31-H35 PolarHBondContact O-N 2.96Å
32L52.3Low53.7Low73 Ų7396.8 Ų96.838%0.38248%0.477SS..Hα-helixtrans-62.5-47.5173.4-73.8168.7000110.9Y28 K29 T34 H35 H36Y28-L32 HydrophobicContact CD1-CD1 3.71Å; Y28-L32 HydrophobicContact CD1-CG 4.18Å; Y28-L32 HydrophobicContact CE1-CD1 3.65Å; Y28-L32 HydrophobicContact CE1-CD2 4.49Å; Y28-L32 HydrophobicContact CE1-CG 4.05Å; Y28-L32 PolarHBondContact O-N 3.29Å; K29-L32 PolarHBondContact O-N 3.04Å; L32-T34 VanDerWaalsContact C-N 3.27Å; L32-T34 PolarHBondContact O-N 3.29Å; L32-H35 PolarHBondContact O-N 3.42Å; L32-H36 PolarHBondContact O-CD2 3.42Å; L32-H36 PolarHBondContact O-N 2.92Å
33A48.5Very low53.2Low47 Ų4796.4 Ų96.439%0.38847%0.473SS..Hα-helixtrans-58.2-39.2173.500000111.7K29 T30 H36 L37K29-A33 VanDerWaalsContact O-CB 3.27Å; K29-A33 WeakPolarHBondContact O-CB 3.28Å; K29-A33 PolarHBondContact O-N 3Å; T30-A33 PolarHBondContact O-N 3.27Å; A33-H36 PolarHBondContact O-N 3.05Å; A33-L37 VanDerWaalsContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CB 3.47Å; A33-L37 WeakPolarHBondContact O-CD1 3.27Å; A33-L37 PolarHBondContact O-N 3.08Å
34T43.4Very low52.6Low69 Ų6993.3 Ų93.342%0.42346%0.455SS..Hα-helixtrans-70.4-29.3174.8570000113.2T30 Q31 L32 S38T30-T34 HydrophobicContact CG2-CG2 4.34Å; T30-T34 WeakPolarHBondContact O-CB 3.15Å; T30-T34 WeakPolarHBondContact O-CG2 3.31Å; T30-T34 PolarHBondContact O-N 3.05Å; T30-T34 PolarHBondContact O-OG1 3.19Å; T30-T34 VanDerWaalsContact O-OG1 3.11Å; Q31-T34 VanDerWaalsContact C-OG1 3.27Å; Q31-T34 WeakPolarHBondContact CA-OG1 3.26Å; Q31-T34 CarbonylContact O-C 3.5Å; Q31-T34 PolarHBondContact O-N 3.26Å; Q31-T34 PolarHBondContact O-OG1 3.44Å; L32-T34 VanDerWaalsContact C-N 3.27Å; L32-T34 PolarHBondContact O-N 3.29Å; T34-S38 WeakPolarHBondContact O-CA 3.38Å; T34-S38 WeakPolarHBondContact O-CB 3.37Å; T34-S38 PolarHBondContact O-N 3.02Å
35H46.6Very low51.9Low131 Ų13192 Ų9261%0.60645%0.449SS*.Hα-helixtrans-73.3-35.7172.5-86.7-69.4000111.6Q31 L32 S38 S39Q31-H35 PolarHBondContact O-CD2 3.31Å; Q31-H35 VanDerWaalsContact O-CD2 3.23Å; Q31-H35 PolarHBondContact O-N 2.96Å; L32-H35 PolarHBondContact O-N 3.42Å; H35-S38 PolarHBondContact O-N 3.33Å; H35-S39 WeakPolarHBondContact O-CB 3.35Å; H35-S39 PolarHBondContact O-N 3.19Å
36H48.5Very low51.6Low99 Ų9989.2 Ų89.246%0.45845%0.45SS..Hα-helixtrans-69.4-46172-70.8-64.8000111.7L32 A33 S38 S39 Y40L32-H36 PolarHBondContact O-CD2 3.42Å; L32-H36 PolarHBondContact O-N 2.92Å; A33-H36 PolarHBondContact O-N 3.05Å; H36-S38 VanDerWaalsContact C-N 3.26Å; H36-S38 PolarHBondContact O-N 2.87Å; H36-S39 PolarHBondContact O-N 3.44Å; H36-Y40 VanDerWaalsContact O-CB 3.31Å; H36-Y40 WeakPolarHBondContact O-CB 3.08Å; H36-Y40 PolarHBondContact O-N 2.94Å
37L47.8Very low51.5Low101 Ų10186.6 Ų86.653%0.52944%0.439SS..Hα-helixtrans-56.8-40.6167-88.6147.4000110.7A33 Y40 M41A33-L37 VanDerWaalsContact O-CB 3.31Å; A33-L37 WeakPolarHBondContact O-CB 3.47Å; A33-L37 WeakPolarHBondContact O-CD1 3.27Å; A33-L37 PolarHBondContact O-N 3.08Å; L37-Y40 PolarHBondContact O-N 2.88Å; L37-M41 WeakPolarHBondContact O-CA 3.29Å; L37-M41 WeakPolarHBondContact O-CB 3.28Å; L37-M41 WeakPolarHBondContact O-CG 3.46Å; L37-M41 PolarHBondContact O-N 3Å
38S48.3Very low51.1Low54 Ų5483.4 Ų83.438%0.37843%0.426SS..Hα-helixtrans-67.6-40.7177.9177.50000111.9T34 H35 H36 L42T34-S38 WeakPolarHBondContact O-CA 3.38Å; T34-S38 WeakPolarHBondContact O-CB 3.37Å; T34-S38 PolarHBondContact O-N 3.02Å; H35-S38 PolarHBondContact O-N 3.33Å; H36-S38 VanDerWaalsContact C-N 3.26Å; H36-S38 PolarHBondContact O-N 2.87Å; S38-L42 WeakPolarHBondContact O-CB 3.17Å; S38-L42 VanDerWaalsContact O-CD1 3.3Å; S38-L42 WeakPolarHBondContact O-CD1 3.33Å; S38-L42 WeakPolarHBondContact O-CG 3.41Å; S38-L42 PolarHBondContact O-N 2.98Å
39S50Low50.6Low51 Ų5183.5 Ų83.536%0.35743%0.426SS..Hα-helixtrans-67.2-42.9174.2173.50000111.8H35 H36 L42 K43H35-S39 WeakPolarHBondContact O-CB 3.35Å; H35-S39 PolarHBondContact O-N 3.19Å; H36-S39 PolarHBondContact O-N 3.44Å; S39-L42 PolarHBondContact O-N 3.33Å; S39-K43 WeakPolarHBondContact O-CB 3.27Å; S39-K43 WeakPolarHBondContact O-CG 3.38Å; S39-K43 PolarHBondContact O-N 3.25Å
40Y52.1Low50.3Low57 Ų5780.6 Ų80.622%0.22442%0.424CS..Hα-helixtrans-59.8-52.2172.5169.3-101.5000110.7H36 L37 L42 K43 K44 D216H36-Y40 VanDerWaalsContact O-CB 3.31Å; H36-Y40 WeakPolarHBondContact O-CB 3.08Å; H36-Y40 PolarHBondContact O-N 2.94Å; L37-Y40 PolarHBondContact O-N 2.88Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 3.48Å; Y40-K43 CarbonylContact O-C 3.54Å; Y40-K43 PolarHBondContact O-N 3.44Å; Y40-K43 VanDerWaalsContact O-N 3.14Å; Y40-K44 HydrophobicContact CE1-CD 3.91Å; Y40-K44 VanDerWaalsContact O-CB 3.24Å; Y40-K44 WeakPolarHBondContact O-CB 3.5Å; Y40-K44 PolarHBondContact O-N 3.1Å; Y40-D216 WeakPolarHBondContact CD2-OD1 3.17Å; Y40-D216 WeakPolarHBondContact CE2-OD1 3.39Å
41M53Low50.3Low93 Ų9382.4 Ų82.446%0.45843%0.428SS..Hα-helixtrans-61-37.8177.9-69.9-70.1-72.500111.4L37 E45L37-M41 WeakPolarHBondContact O-CA 3.29Å; L37-M41 WeakPolarHBondContact O-CB 3.28Å; L37-M41 WeakPolarHBondContact O-CG 3.46Å; L37-M41 PolarHBondContact O-N 3Å; M41-E45 WeakPolarHBondContact O-CB 3.28Å; M41-E45 VanDerWaalsContact O-CG 3.26Å; M41-E45 WeakPolarHBondContact O-CG 3.4Å; M41-E45 PolarHBondContact O-N 3.31Å
42L56.4Low49.7Very low105 Ų10586 Ų8655%0.5544%0.436SS..Hα-helixtrans-67.8-40.8175.1-77.9163.7000112.2S38 S39 Y40 A46S38-L42 WeakPolarHBondContact O-CB 3.17Å; S38-L42 VanDerWaalsContact O-CD1 3.3Å; S38-L42 WeakPolarHBondContact O-CD1 3.33Å; S38-L42 WeakPolarHBondContact O-CG 3.41Å; S38-L42 PolarHBondContact O-N 2.98Å; S39-L42 PolarHBondContact O-N 3.33Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 3.48Å; L42-A46 VanDerWaalsContact O-CB 3.26Å; L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 3.3Å
43K56.5Low49Very low111 Ų11192.7 Ų92.748%0.48346%0.457SS..Hα-helixtrans-70.7-41175.8-74.1178.4-177.2179.90111.7S39 Y40 A46 M47S39-K43 WeakPolarHBondContact O-CB 3.27Å; S39-K43 WeakPolarHBondContact O-CG 3.38Å; S39-K43 PolarHBondContact O-N 3.25Å; Y40-K43 CarbonylContact O-C 3.54Å; Y40-K43 PolarHBondContact O-N 3.44Å; Y40-K43 VanDerWaalsContact O-N 3.14Å; K43-A46 PolarHBondContact O-N 3.43Å; K43-M47 PolarHBondContact O-N 3.3Å
44K50.1Low48.6Very low43 Ų4394.9 Ų94.919%0.18747%0.469CS..Hα-helixtrans-62.9-49.3173.6-176.1170.1-178.31590110.6Y40 A46 M47 E48 E182Y40-K44 HydrophobicContact CE1-CD 3.91Å; Y40-K44 VanDerWaalsContact O-CB 3.24Å; Y40-K44 WeakPolarHBondContact O-CB 3.5Å; Y40-K44 PolarHBondContact O-N 3.1Å; K44-A46 VanDerWaalsContact C-N 3.3Å; K44-A46 PolarHBondContact O-N 3.26Å; K44-M47 CarbonylContact O-C 3.56Å; K44-M47 PolarHBondContact O-N 3.24Å; K44-M47 VanDerWaalsContact O-N 3.12Å; K44-E48 VanDerWaalsContact CE-OE1 3.25Å; K44-E48 WeakPolarHBondContact CE-OE1 3.28Å; K44-E48 HydrophobicContact CG-CG 4.42Å; K44-E48 WeakPolarHBondContact O-CB 3.3Å; K44-E48 WeakPolarHBondContact O-CG 3.41Å; K44-E48 PolarHBondContact O-N 2.76Å; K44-E182 WeakPolarHBondContact CE-OE1 3.49Å; K44-E182 IonicContact NZ-OE1 3.15Å; K44-E182 PolarHBondContact NZ-OE1 3.36Å
45E55.1Low48.4Very low75 Ų7596.4 Ų96.435%0.3548%0.479SS..Hα-helixtrans-59.5-38.5173.6-83.3-170.5-165.200112.3M41 R49M41-E45 WeakPolarHBondContact O-CB 3.28Å; M41-E45 VanDerWaalsContact O-CG 3.26Å; M41-E45 WeakPolarHBondContact O-CG 3.4Å; M41-E45 PolarHBondContact O-N 3.31Å; E45-R49 VanDerWaalsContact O-CB 3.28Å; E45-R49 WeakPolarHBondContact O-CB 3.47Å; E45-R49 VanDerWaalsContact O-CG 3.23Å; E45-R49 WeakPolarHBondContact O-CG 3.29Å; E45-R49 PolarHBondContact O-N 3.04Å; E45-R49 IonicContact OE2-CZ 3.67Å; E45-R49 IonicContact OE2-NH1 3.95Å; E45-R49 IonicContact OE2-NH2 2.98Å; E45-R49 PolarHBondContact OE2-NH2 2.97Å
46A55.7Low47.7Very low58 Ų58100 Ų10048%0.47949%0.493SS..Hα-helixtrans-66.1-39.8175.900000111.9L42 K43 K44 A50L42-A46 VanDerWaalsContact O-CB 3.26Å; L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 3.3Å; K43-A46 PolarHBondContact O-N 3.43Å; K44-A46 VanDerWaalsContact C-N 3.3Å; K44-A46 PolarHBondContact O-N 3.26Å; A46-A50 WeakPolarHBondContact O-CB 3.41Å; A46-A50 PolarHBondContact O-N 2.88Å
47M52.8Low47.4Very low75 Ų7598.9 Ų98.937%0.36950%0.501SS..Hα-helixtrans-67.7-47.1173.3-94.6-163.1-69.600112.3K43 K44 R49 A50 Q51 L215K43-M47 PolarHBondContact O-N 3.3Å; K44-M47 CarbonylContact O-C 3.56Å; K44-M47 PolarHBondContact O-N 3.24Å; K44-M47 VanDerWaalsContact O-N 3.12Å; M47-R49 PolarHBondContact O-N 3.04Å; M47-A50 CarbonylContact O-C 3.58Å; M47-A50 WeakPolarHBondContact O-CA 3.32Å; M47-A50 WeakPolarHBondContact O-CB 3.4Å; M47-A50 PolarHBondContact O-N 3.35Å; M47-Q51 PolarHBondContact O-N 3.32Å; M47-L215 HydrophobicContact CE-CD1 3.34Å; M47-L215 HydrophobicContact SD-CD1 4.43Å
48E48.5Very low47.1Very low67 Ų67105.7 Ų105.731%0.31352%0.519SS..Hα-helixtrans-57.9-39.6174.9-74-179.4-164.800111K44 R52K44-E48 VanDerWaalsContact CE-OE1 3.25Å; K44-E48 WeakPolarHBondContact CE-OE1 3.28Å; K44-E48 HydrophobicContact CG-CG 4.42Å; K44-E48 WeakPolarHBondContact O-CB 3.3Å; K44-E48 WeakPolarHBondContact O-CG 3.41Å; K44-E48 PolarHBondContact O-N 2.76Å; E48-R52 WeakPolarHBondContact O-CB 3.09Å; E48-R52 WeakPolarHBondContact O-CG 3.43Å; E48-R52 PolarHBondContact O-N 2.98Å; E48-R52 IonicContact OE2-NH2 3.74Å
49R48.3Very low47Very low152 Ų152114.7 Ų114.757%0.57455%0.545SS*.Hα-helixtrans-66.8-33.8172.7-77.3177.5-171.6144.317.2112.7E45 M47 R53E45-R49 VanDerWaalsContact O-CB 3.28Å; E45-R49 WeakPolarHBondContact O-CB 3.47Å; E45-R49 VanDerWaalsContact O-CG 3.23Å; E45-R49 WeakPolarHBondContact O-CG 3.29Å; E45-R49 PolarHBondContact O-N 3.04Å; E45-R49 IonicContact OE2-CZ 3.67Å; E45-R49 IonicContact OE2-NH1 3.95Å; E45-R49 IonicContact OE2-NH2 2.98Å; E45-R49 PolarHBondContact OE2-NH2 2.97Å; M47-R49 PolarHBondContact O-N 3.04Å; R49-R53 WeakPolarHBondContact O-CG 3.43Å; R49-R53 PolarHBondContact O-N 3.07Å
50A44.8Very low47.4Very low58 Ų58115.5 Ų115.548%0.47955%0.549SS..Hα-helixtrans-72.2-42.6175.100000112A46 M47 R53 S54A46-A50 WeakPolarHBondContact O-CB 3.41Å; A46-A50 PolarHBondContact O-N 2.88Å; M47-A50 CarbonylContact O-C 3.58Å; M47-A50 WeakPolarHBondContact O-CA 3.32Å; M47-A50 WeakPolarHBondContact O-CB 3.4Å; M47-A50 PolarHBondContact O-N 3.35Å; A50-R53 PolarHBondContact O-N 3.36Å; A50-R53 VanDerWaalsContact O-N 3.13Å; A50-S54 PolarHBondContact O-N 3.49Å; A50-S54 VanDerWaalsContact O-N 3.08Å
51Q45.2Very low48.1Very low108 Ų108115.6 Ų115.651%0.50556%0.562SS.*Hα-helixtrans-60.7-45.2172.5-106.8158.9-33.200111.2M47 R53 S54 T55M47-Q51 PolarHBondContact O-N 3.32Å; Q51-R53 PolarHBondContact O-N 2.78Å; Q51-S54 PolarHBondContact O-N 3.31Å; Q51-T55 VanDerWaalsContact O-CG2 3.32Å; Q51-T55 WeakPolarHBondContact O-CG2 3.48Å; Q51-T55 PolarHBondContact O-N 2.74Å
52R40.2Very low49.1Very low178 Ų178114.4 Ų114.467%0.67256%0.56SS**Hα-helixtrans-62.8-23.3174.4-73.7176.1-166.7-171.19114E48 T55E48-R52 WeakPolarHBondContact O-CB 3.09Å; E48-R52 WeakPolarHBondContact O-CG 3.43Å; E48-R52 PolarHBondContact O-N 2.98Å; E48-R52 IonicContact OE2-NH2 3.74Å; R52-T55 PolarHBondContact O-OG1 3.07Å
53R37.8Very low50Low215 Ų215110.1 Ų110.181%0.81154%0.538SS*.Hα-helixtrans-83-25.5172.9-76.5176177.6-174.30.2112.4R49 A50 Q51R49-R53 WeakPolarHBondContact O-CG 3.43Å; R49-R53 PolarHBondContact O-N 3.07Å; A50-R53 PolarHBondContact O-N 3.36Å; A50-R53 VanDerWaalsContact O-N 3.13Å; Q51-R53 PolarHBondContact O-N 2.78Å
54S39.7Very low50.7Low93 Ų93110.8 Ų110.865%0.6554%0.543SS*.Hα-helixtrans-82-14.5177.1-169.90000113.9A50 Q51 F56A50-S54 PolarHBondContact O-N 3.49Å; A50-S54 VanDerWaalsContact O-N 3.08Å; Q51-S54 PolarHBondContact O-N 3.31Å; S54-F56 VanDerWaalsContact C-N 3.27Å; S54-F56 PolarHBondContact O-N 3.4Å
55T38.2Very low52Low101 Ų101112.3 Ų112.362%0.6255%0.553SS**THydrogen-bonded Turntrans-8218.4-173.948.50000115.6Q51 R52 A57Q51-T55 VanDerWaalsContact O-CG2 3.32Å; Q51-T55 WeakPolarHBondContact O-CG2 3.48Å; Q51-T55 PolarHBondContact O-N 2.74Å; R52-T55 PolarHBondContact O-OG1 3.07Å; T55-A57 PolarHBondContact O-N 2.92Å
56F33Very low53.1Low207 Ų207113.2 Ų113.291%0.90856%0.563SS**THydrogen-bonded Turntrans-73.2-1.4164.4-89.7-82000113.3S54S54-F56 VanDerWaalsContact C-N 3.27Å; S54-F56 PolarHBondContact O-N 3.4Å
57A40.9Very low54.4Low75 Ų75114.2 Ų114.262%0.6256%0.564SS**SBendtrans-74.3136.216600000110.7T55 R59T55-A57 PolarHBondContact O-N 2.92Å; A57-R59 PolarHBondContact O-N 3.37Å
58R41.6Very low55.8Low243 Ų243111.7 Ų111.792%0.91755%0.551SS**  trans-35.2129.1-178.9-76166.271.4172.71.7112.6
59R47.8Very low57.3Low243 Ų243109.6 Ų109.692%0.91754%0.542SS*.PPolyproline II helixtrans-49.4129.4173.7-69.8-175.4-179.1-178.6-0.7109.7A57A57-R59 PolarHBondContact O-N 3.37Å
60P57Low59Low68 Ų68106.9 Ų106.944%0.44254%0.538SS..PPolyproline II helixtrans-57.5145.2176.2-19.229.1000110.7V62 V93P60-V62 PolarHBondContact O-N 3.46Å; P60-V93 HydrophobicContact CB-CB 4.21Å; P60-V93 HydrophobicContact CB-CG2 3.35Å; P60-V93 HydrophobicContact CG-CG2 3.89Å
61A67.8Low61Low60 Ų60104.4 Ų104.450%0.49652%0.518SS..EExtended strand (participates in β ladder)trans-72.6116.717400000108.9L92 V93A61-L92 HydrophobicContact CB-CD2 4.06Å; A61-L92 WeakPolarHBondContact O-CA 3.45Å; A61-V93 PolarHBondContact O-N 2.87Å
62V73.8Confident62.9Low68 Ų6899.3 Ų99.341%0.41249%0.494SS..EExtended strand (participates in β ladder)trans-79.1127.2176.9-178.90000109.1P60 Q64 V93 E95P60-V62 PolarHBondContact O-N 3.46Å; V62-Q64 HydrophobicContact CG1-CG 4.16Å; V62-V93 CarbonylContact C-O 3.58Å; V62-V93 VanDerWaalsContact CA-O 3.29Å; V62-V93 WeakPolarHBondContact CA-O 3.3Å; V62-E95 HydrophobicContact CG1-CB 4.46Å; V62-E95 VanDerWaalsContact CG1-CD 3.48Å; V62-E95 HydrophobicContact CG1-CG 3.83Å
63C74.8Confident65Low14 Ų1494.2 Ų94.210%0.09548%0.475CS..EExtended strand (participates in β ladder)trans-104114.2177-176.60000109.8H69 L92 V93C63-H69 PolarHBondContact O-NE2 3.32Å; C63-L92 HydrophobicContact CB-CB 4.07Å; C63-L92 HydrophobicContact CB-CD1 3.99Å; C63-L92 HydrophobicContact CB-CD2 4.37Å; C63-L92 HydrophobicContact CB-CG 4.37Å; C63-V93 PolarHBondContact N-O 3.18Å
64Q71.5Confident67.3Low126 Ų12688.7 Ų88.759%0.58947%0.466SS*.  trans-105.610.8176.5-64.2-178.9-1400112.5V62 V66V62-Q64 HydrophobicContact CG1-CG 4.16Å; Q64-V66 PolarHBondContact O-N 3.01Å
65D78.6Confident69.6Low75 Ų7585 Ų8540%0.40144%0.443SS..  trans-76111-178.5-168.8-26.5000110.8V67 I68 H69D65-V67 PolarHBondContact O-N 3.15Å; D65-V67 WeakPolarHBondContact OD1-CB 3.08Å; D65-V67 PolarHBondContact OD1-N 3.28Å; D65-I68 HydrophobicContact CB-CB 4.26Å; D65-I68 HydrophobicContact CB-CD1 3.99Å; D65-I68 HydrophobicContact CB-CG1 4.05Å; D65-I68 PolarHBondContact O-N 2.91Å; D65-I68 VanDerWaalsContact O-N 3.14Å; D65-H69 PolarHBondContact O-CD2 3.12Å; D65-H69 PolarHBondContact O-N 3.14Å
66V78Confident72Confident93 Ų9383.9 Ų83.956%0.56443%0.433SS*.Hα-helixtrans-59.1-30.2-179.4-175.70000111.9Q64 H69 N70Q64-V66 PolarHBondContact O-N 3.01Å; V66-H69 PolarHBondContact O-N 2.92Å; V66-N70 WeakPolarHBondContact O-CB 3.19Å; V66-N70 PolarHBondContact O-N 2.97Å; V66-N70 PolarHBondContact O-ND2 2.76Å
67V81.8Confident74.6Confident80 Ų8075.7 Ų75.749%0.48540%0.4SS..Hα-helixtrans-71.4-39.8179.8-171.50000110.7D65 N70 A71 F83D65-V67 PolarHBondContact O-N 3.15Å; D65-V67 WeakPolarHBondContact OD1-CB 3.08Å; D65-V67 PolarHBondContact OD1-N 3.28Å; V67-N70 PolarHBondContact O-N 3.33Å; V67-A71 WeakPolarHBondContact O-CB 3.26Å; V67-A71 PolarHBondContact O-N 2.72Å; V67-F83 HydrophobicContact CB-CZ 4.38Å; V67-F83 HydrophobicContact CG1-CE1 4.43Å; V67-F83 HydrophobicContact CG1-CE2 4.03Å; V67-F83 HydrophobicContact CG1-CZ 3.51Å
68I82Confident76.8Confident21 Ų2176.9 Ų76.911%0.10839%0.393CS..Hα-helixtrans-66.8-42.6175-62.8179.5000109.8D65 A71 L72 F83 F84D65-I68 HydrophobicContact CB-CB 4.26Å; D65-I68 HydrophobicContact CB-CD1 3.99Å; D65-I68 HydrophobicContact CB-CG1 4.05Å; D65-I68 PolarHBondContact O-N 2.91Å; D65-I68 VanDerWaalsContact O-N 3.14Å; I68-A71 PolarHBondContact O-N 2.77Å; I68-L72 HydrophobicContact CG2-CD1 3.95Å; I68-L72 VanDerWaalsContact O-CG 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.16Å; I68-L72 PolarHBondContact O-N 3.49Å; I68-F83 HydrophobicContact CG1-CB 4.37Å; I68-F83 HydrophobicContact CG1-CD1 4.25Å; I68-F83 HydrophobicContact CG1-CD2 4.22Å; I68-F83 HydrophobicContact CG1-CG 4.04Å; I68-F84 HydrophobicContact CG2-CE2 4.36Å; I68-F84 HydrophobicContact CG2-CZ 4.3Å
69H81.5Confident79Confident24 Ų2466 Ų6611%0.11136%0.355CS..Hα-helixtrans-58.4-50.6175.2-66.7-170.2000110.7C63 D65 V66 A71 L72 Y73C63-H69 PolarHBondContact O-NE2 3.32Å; D65-H69 PolarHBondContact O-CD2 3.12Å; D65-H69 PolarHBondContact O-N 3.14Å; V66-H69 PolarHBondContact O-N 2.92Å; H69-A71 VanDerWaalsContact C-N 3.34Å; H69-A71 PolarHBondContact O-N 2.93Å; H69-L72 PolarHBondContact O-N 3.31Å; H69-L72 VanDerWaalsContact O-N 3.12Å; H69-Y73 HydrophobicContact CB-CD2 4.31Å; H69-Y73 HydrophobicContact CB-CE2 4.32Å; H69-Y73 WeakPolarHBondContact O-CD2 3.28Å; H69-Y73 PolarHBondContact O-N 3.49Å
70N83.6Confident80.7Confident94 Ų9454.4 Ų54.450%0.50331%0.311SS..Hα-helixtrans-57-46.6178.3-75.9-20.8000111.8V66 V67 L72 Y73 T74V66-N70 WeakPolarHBondContact O-CB 3.19Å; V66-N70 PolarHBondContact O-N 2.97Å; V66-N70 PolarHBondContact O-ND2 2.76Å; V67-N70 PolarHBondContact O-N 3.33Å; N70-L72 VanDerWaalsContact C-N 3.29Å; N70-L72 PolarHBondContact O-N 3.05Å; N70-Y73 PolarHBondContact O-N 3.27Å; N70-T74 WeakPolarHBondContact O-CB 3.45Å; N70-T74 WeakPolarHBondContact O-CG2 3.5Å; N70-T74 PolarHBondContact O-N 3.28Å; N70-T74 PolarHBondContact O-OG1 2.93Å
71A85.4Confident82.1Confident7 Ų755.4 Ų55.46%0.05831%0.308CS..Hα-helixtrans-60.7-37.2178.100000112.9V67 I68 H69 T74 G75 D76 A79 L80 F83V67-A71 WeakPolarHBondContact O-CB 3.26Å; V67-A71 PolarHBondContact O-N 2.72Å; I68-A71 PolarHBondContact O-N 2.77Å; H69-A71 VanDerWaalsContact C-N 3.34Å; H69-A71 PolarHBondContact O-N 2.93Å; A71-T74 PolarHBondContact O-OG1 3.05Å; A71-G75 PolarHBondContact O-N 3.17Å; A71-D76 PolarHBondContact O-N 3.11Å; A71-D76 VanDerWaalsContact O-N 3.08Å; A71-A79 HydrophobicContact CB-CB 3.82Å; A71-L80 HydrophobicContact CB-CD2 4.42Å; A71-F83 HydrophobicContact CB-CD2 4.35Å; A71-F83 HydrophobicContact CB-CE2 4.14Å
72L85.3Confident82.9Confident0 Ų062.1 Ų62.10%032%0.321CS..Hα-helixtrans-70.9-40.8176.7-71.1166.9000112.3I68 H69 N70 L80 I94 P122 I125 T126 F131 L138I68-L72 HydrophobicContact CG2-CD1 3.95Å; I68-L72 VanDerWaalsContact O-CG 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.16Å; I68-L72 PolarHBondContact O-N 3.49Å; H69-L72 PolarHBondContact O-N 3.31Å; H69-L72 VanDerWaalsContact O-N 3.12Å; N70-L72 VanDerWaalsContact C-N 3.29Å; N70-L72 PolarHBondContact O-N 3.05Å; L72-L80 HydrophobicContact CD2-CD1 4.05Å; L72-L80 HydrophobicContact CD2-CD2 3.48Å; L72-L80 VanDerWaalsContact CD2-CD2 3.48Å; L72-L80 HydrophobicContact CD2-CG 4.41Å; L72-L80 HydrophobicContact CG-CD2 3.89Å; L72-I94 HydrophobicContact CD1-CD1 3.29Å; L72-P122 HydrophobicContact CD1-CB 3.81Å; L72-P122 HydrophobicContact CD1-CG 3.95Å; L72-P122 HydrophobicContact CD2-CB 3.73Å; L72-P122 HydrophobicContact CG-CB 4.46Å; L72-I125 HydrophobicContact CB-CG2 4.35Å; L72-T126 HydrophobicContact CD2-CG2 4.05Å; L72-F131 WeakPolarHBondContact O-CE2 3.49Å; L72-L138 HydrophobicContact CD2-CD1 4.3Å
73Y85.1Confident83.3Confident71 Ų7162.6 Ų62.628%0.27832%0.318SS..Hα-helixtrans-74.6-29.2179.2-75.5-66000112.9H69 N70 I125 R129 F131H69-Y73 HydrophobicContact CB-CD2 4.31Å; H69-Y73 HydrophobicContact CB-CE2 4.32Å; H69-Y73 WeakPolarHBondContact O-CD2 3.28Å; H69-Y73 PolarHBondContact O-N 3.49Å; N70-Y73 PolarHBondContact O-N 3.27Å; Y73-I125 HydrophobicContact CD1-CG2 3.71Å; Y73-I125 HydrophobicContact CE1-CD1 4.21Å; Y73-I125 HydrophobicContact CE1-CG1 4.35Å; Y73-I125 HydrophobicContact CE1-CG2 3.79Å; Y73-I125 HydrophobicContact CE2-CD1 4.22Å; Y73-I125 HydrophobicContact CG-CG2 4.34Å; Y73-R129 PolarHBondContact O-NH1 3.1Å; Y73-F131 WeakPolarHBondContact O-CE2 3.39Å
74T87.1Confident83.6Confident99 Ų9962.2 Ų62.261%0.60731%0.314SS*.Hα-helixtrans-87.4-15.6175.860.20000113.6N70 A71N70-T74 WeakPolarHBondContact O-CB 3.45Å; N70-T74 WeakPolarHBondContact O-CG2 3.5Å; N70-T74 PolarHBondContact O-N 3.28Å; N70-T74 PolarHBondContact O-OG1 2.93Å; A71-T74 PolarHBondContact O-OG1 3.05Å
75G86.2Confident84Confident17 Ų1759.7 Ų59.718%0.17531%0.309CS..THydrogen-bonded Turntrans73.429-177.100000113.3A71 V77 C134A71-G75 PolarHBondContact O-N 3.17Å; G75-V77 PolarHBondContact O-N 3.01Å; G75-C134 PolarHBondContact O-SG 3.22Å; G75-C134 VanDerWaalsContact O-SG 3.39Å
76D89.4Confident83.7Confident76 Ų7667 Ų6741%0.40633%0.331SS..  trans-74.595.2178-173.9-14.8000111A71 E78 A79 L80A71-D76 PolarHBondContact O-N 3.11Å; A71-D76 VanDerWaalsContact O-N 3.08Å; D76-E78 VanDerWaalsContact C-N 3.28Å; D76-E78 PolarHBondContact O-N 2.83Å; D76-E78 PolarHBondContact OD1-N 3.01Å; D76-A79 HydrophobicContact CB-CB 3.86Å; D76-A79 VanDerWaalsContact CG-CB 3.43Å; D76-A79 PolarHBondContact O-N 3.45Å; D76-A79 PolarHBondContact OD1-N 3.02Å; D76-A79 WeakPolarHBondContact OD2-CB 3.2Å; D76-L80 WeakPolarHBondContact O-CG 3.39Å; D76-L80 PolarHBondContact O-N 3.34Å
77V87.9Confident82.9Confident36 Ų3666.4 Ų66.422%0.21834%0.343CS..Hα-helixtrans-59.1-37.8179.6-177.80000111.9G75 L80 K81 D133 C134G75-V77 PolarHBondContact O-N 3.01Å; V77-L80 PolarHBondContact O-N 3.49Å; V77-K81 HydrophobicContact CG1-CD 4.46Å; V77-K81 WeakPolarHBondContact O-CG 3.41Å; V77-K81 PolarHBondContact O-N 3.3Å; V77-D133 HydrophobicContact CG2-CB 3.89Å; V77-C134 WeakPolarHBondContact CG2-SG 3.3Å
78E87.5Confident82.3Confident100 Ų10064.8 Ų64.847%0.46734%0.335SS..Hα-helixtrans-73.2-39.2-176.9-68.9-56.4129.400111.3D76 K81 R82D76-E78 VanDerWaalsContact C-N 3.28Å; D76-E78 PolarHBondContact O-N 2.83Å; D76-E78 PolarHBondContact OD1-N 3.01Å; E78-K81 PolarHBondContact O-N 3.18Å; E78-K81 IonicContact OE1-NZ 3.05Å; E78-K81 PolarHBondContact OE1-NZ 3.25Å; E78-R82 WeakPolarHBondContact O-CG 3.4Å; E78-R82 PolarHBondContact O-N 3.44Å
79A86.1Confident81.3Confident14 Ų1470.9 Ų70.912%0.11637%0.365CS..Hα-helixtrans-61.2-45170.300000111.2A71 D76 K81 R82 F83A71-A79 HydrophobicContact CB-CB 3.82Å; D76-A79 HydrophobicContact CB-CB 3.86Å; D76-A79 VanDerWaalsContact CG-CB 3.43Å; D76-A79 PolarHBondContact O-N 3.45Å; D76-A79 PolarHBondContact OD1-N 3.02Å; D76-A79 WeakPolarHBondContact OD2-CB 3.2Å; A79-K81 PolarHBondContact O-N 2.7Å; A79-R82 WeakPolarHBondContact O-CB 3.38Å; A79-R82 PolarHBondContact O-N 2.86Å; A79-R82 VanDerWaalsContact O-N 3.07Å; A79-F83 HydrophobicContact CB-CD2 4.28Å; A79-F83 HydrophobicContact CB-CE2 3.9Å; A79-F83 WeakPolarHBondContact O-CD2 3.35Å; A79-F83 WeakPolarHBondContact O-CG 3.15Å; A79-F83 PolarHBondContact O-N 2.98Å
80L84.5Confident80.8Confident0 Ų069.9 Ų69.90%036%0.361CS..Hα-helixtrans-63.4-37.4177.9-71.1173.9000113.2A71 L72 D76 V77 R82 F83 F84 C134 L137A71-L80 HydrophobicContact CB-CD2 4.42Å; L72-L80 HydrophobicContact CD2-CD1 4.05Å; L72-L80 HydrophobicContact CD2-CD2 3.48Å; L72-L80 VanDerWaalsContact CD2-CD2 3.48Å; L72-L80 HydrophobicContact CD2-CG 4.41Å; L72-L80 HydrophobicContact CG-CD2 3.89Å; D76-L80 WeakPolarHBondContact O-CG 3.39Å; D76-L80 PolarHBondContact O-N 3.34Å; V77-L80 PolarHBondContact O-N 3.49Å; L80-R82 PolarHBondContact O-N 2.9Å; L80-F83 PolarHBondContact O-N 3.39Å; L80-F84 HydrophobicContact CD2-CD2 3.95Å; L80-F84 HydrophobicContact CD2-CE2 3.66Å; L80-F84 WeakPolarHBondContact O-CD2 3.37Å; L80-F84 PolarHBondContact O-N 3.28Å; L80-C134 HydrophobicContact CD1-CB 3.61Å; L80-C134 VanDerWaalsContact CD1-SG 3.59Å; L80-L137 HydrophobicContact CB-CD2 3.8Å
81K85.6Confident80.3Confident89 Ų8967.6 Ų67.639%0.38735%0.349SS..Hα-helixtrans-60.4-33.4173.4-76.6171.9-175.3164.70112.5V77 E78 A79 L137V77-K81 HydrophobicContact CG1-CD 4.46Å; V77-K81 WeakPolarHBondContact O-CG 3.41Å; V77-K81 PolarHBondContact O-N 3.3Å; E78-K81 PolarHBondContact O-N 3.18Å; E78-K81 IonicContact OE1-NZ 3.05Å; E78-K81 PolarHBondContact OE1-NZ 3.25Å; A79-K81 PolarHBondContact O-N 2.7Å; K81-L137 HydrophobicContact CB-CD2 4.45Å; K81-L137 HydrophobicContact CG-CD1 3.98Å; K81-L137 HydrophobicContact CG-CD2 3.67Å
82R85.2Confident80Confident201 Ų20168.7 Ų68.776%0.75835%0.353SS*.Hα-helixtrans-75.2-45177.2-66.5172.7-176.3-175.52.2111.6E78 A79 L80E78-R82 WeakPolarHBondContact O-CG 3.4Å; E78-R82 PolarHBondContact O-N 3.44Å; A79-R82 WeakPolarHBondContact O-CB 3.38Å; A79-R82 PolarHBondContact O-N 2.86Å; A79-R82 VanDerWaalsContact O-N 3.07Å; L80-R82 PolarHBondContact O-N 2.9Å
83F81.8Confident79.7Confident78 Ų7869 Ų6934%0.34236%0.355SS..Hα-helixtrans-73.7-32.5-177.5-63.5-50.7000113.3V67 I68 A71 A79 L80 P85V67-F83 HydrophobicContact CB-CZ 4.38Å; V67-F83 HydrophobicContact CG1-CE1 4.43Å; V67-F83 HydrophobicContact CG1-CE2 4.03Å; V67-F83 HydrophobicContact CG1-CZ 3.51Å; I68-F83 HydrophobicContact CG1-CB 4.37Å; I68-F83 HydrophobicContact CG1-CD1 4.25Å; I68-F83 HydrophobicContact CG1-CD2 4.22Å; I68-F83 HydrophobicContact CG1-CG 4.04Å; A71-F83 HydrophobicContact CB-CD2 4.35Å; A71-F83 HydrophobicContact CB-CE2 4.14Å; A79-F83 HydrophobicContact CB-CD2 4.28Å; A79-F83 HydrophobicContact CB-CE2 3.9Å; A79-F83 WeakPolarHBondContact O-CD2 3.35Å; A79-F83 WeakPolarHBondContact O-CG 3.15Å; A79-F83 PolarHBondContact O-N 2.98Å; L80-F83 PolarHBondContact O-N 3.39Å; F83-P85 VanDerWaalsContact O-CD 3.24Å; F83-P85 WeakPolarHBondContact O-CD 3.33Å
84F81.3Confident79.2Confident5 Ų565.6 Ų65.62%0.02234%0.342CS..SBendtrans-112.690175.9-60.4-83.2000109.1I68 L80 A90 L92 P122 L138 R141I68-F84 HydrophobicContact CG2-CE2 4.36Å; I68-F84 HydrophobicContact CG2-CZ 4.3Å; L80-F84 HydrophobicContact CD2-CD2 3.95Å; L80-F84 HydrophobicContact CD2-CE2 3.66Å; L80-F84 WeakPolarHBondContact O-CD2 3.37Å; L80-F84 PolarHBondContact O-N 3.28Å; F84-A90 HydrophobicContact CD1-CB 4.09Å; F84-A90 HydrophobicContact CE1-CB 4.23Å; F84-L92 HydrophobicContact CE1-CD1 3.55Å; F84-L92 HydrophobicContact CE1-CG 4.36Å; F84-L92 HydrophobicContact CZ-CD1 3.7Å; F84-P122 HydrophobicContact CZ-CG 4.46Å; F84-L138 HydrophobicContact CD2-CD2 4.1Å; F84-L138 HydrophobicContact CE2-CD2 4.12Å; F84-L138 HydrophobicContact CG-CD2 4.35Å; F84-L138 HydrophobicContact CZ-CD2 4.38Å; F84-R141 PolarHBondContact O-NH1 3.45Å
85P79.4Confident78.4Confident73 Ų7363 Ų6347%0.47432%0.323SS..  trans-73.5167.4172.328.1-33.1000112.3F83 G87 S88 R141F83-P85 VanDerWaalsContact O-CD 3.24Å; F83-P85 WeakPolarHBondContact O-CD 3.33Å; P85-G87 PolarHBondContact O-N 2.94Å; P85-S88 WeakPolarHBondContact O-CB 3.32Å; P85-S88 PolarHBondContact O-N 3.43Å; P85-S88 VanDerWaalsContact O-N 3.15Å; P85-R141 PolarHBondContact O-NH1 2.79Å
86R72.4Confident77.3Confident230 Ų23063.6 Ų63.687%0.86832%0.324SS*.THydrogen-bonded Turntrans-63.8123.4-177.6-72.9-176.1176.1179.2-1.5109.3
87G61.8Low75.7Confident79 Ų7968.2 Ų68.281%0.81434%0.343SS*.THydrogen-bonded Turntrans94.1-1.6-177.400000115.6P85P85-G87 PolarHBondContact O-N 2.94Å
88S68.3Low74.2Confident46 Ų4668.5 Ų68.532%0.32235%0.352SS..  trans-76.7138.2169.4-169.40000110.7P85 A90 R141P85-S88 WeakPolarHBondContact O-CB 3.32Å; P85-S88 PolarHBondContact O-N 3.43Å; P85-S88 VanDerWaalsContact O-N 3.15Å; S88-A90 PolarHBondContact O-N 3.12Å; S88-R141 VanDerWaalsContact O-O 3.13Å
89M61.3Low72.8Confident149 Ų14966 Ų6673%0.73435%0.354SS*.  trans-77.2112.7174.6-72.9-163.8158.200110.1N91M89-N91 PolarHBondContact O-N 2.94Å; M89-N91 VanDerWaalsContact O-N 3.16Å
90A70.8Confident71Confident3 Ų372.3 Ų72.33%0.02538%0.381CS..  trans-75.79.3176.300000114.1F84 S88 L92 L138 A143F84-A90 HydrophobicContact CD1-CB 4.09Å; F84-A90 HydrophobicContact CE1-CB 4.23Å; S88-A90 PolarHBondContact O-N 3.12Å; A90-L92 PolarHBondContact O-N 3.42Å; A90-L138 HydrophobicContact CB-CD2 4.03Å; A90-A143 HydrophobicContact CB-CB 3.98Å
91N74.4Confident69.4Low46 Ų4677 Ų7725%0.24640%0.404CS..  trans-80.859.3-179.4-63.1-34.6000111.4M89 A143 N144 L147M89-N91 PolarHBondContact O-N 2.94Å; M89-N91 VanDerWaalsContact O-N 3.16Å; N91-A143 WeakPolarHBondContact OD1-CA 3.38Å; N91-N144 WeakPolarHBondContact OD1-CB 3.43Å; N91-N144 PolarHBondContact OD1-N 3.34Å; N91-L147 HydrophobicContact CB-CD2 4.21Å
92L78.6Confident67.9Low31 Ų3179 Ų7916%0.16241%0.409CS..EExtended strand (participates in β ladder)trans-92.5143.1174.8-60.1173.8000109.6A61 C63 F84 A90 P122A61-L92 HydrophobicContact CB-CD2 4.06Å; A61-L92 WeakPolarHBondContact O-CA 3.45Å; C63-L92 HydrophobicContact CB-CB 4.07Å; C63-L92 HydrophobicContact CB-CD1 3.99Å; C63-L92 HydrophobicContact CB-CD2 4.37Å; C63-L92 HydrophobicContact CB-CG 4.37Å; F84-L92 HydrophobicContact CE1-CD1 3.55Å; F84-L92 HydrophobicContact CE1-CG 4.36Å; F84-L92 HydrophobicContact CZ-CD1 3.7Å; A90-L92 PolarHBondContact O-N 3.42Å; L92-P122 HydrophobicContact CB-CG 4.2Å; L92-P122 WeakPolarHBondContact O-CD 3.5Å
93V78.5Confident66.8Low5 Ų577.2 Ų77.23%0.0340%0.403CS..EExtended strand (participates in β ladder)trans-100.6126.7166.3175.70000108P60 A61 V62 C63 L119 T120 P149P60-V93 HydrophobicContact CB-CB 4.21Å; P60-V93 HydrophobicContact CB-CG2 3.35Å; P60-V93 HydrophobicContact CG-CG2 3.89Å; A61-V93 PolarHBondContact O-N 2.87Å; V62-V93 CarbonylContact C-O 3.58Å; V62-V93 VanDerWaalsContact CA-O 3.29Å; V62-V93 WeakPolarHBondContact CA-O 3.3Å; C63-V93 PolarHBondContact N-O 3.18Å; V93-L119 HydrophobicContact CG1-CB 3.85Å; V93-L119 HydrophobicContact CG1-CD2 3.76Å; V93-L119 HydrophobicContact CG1-CG 4.32Å; V93-T120 CarbonylContact C-O 3.56Å; V93-T120 WeakPolarHBondContact CA-O 3.38Å; V93-P149 HydrophobicContact CG1-CB 4.47Å; V93-P149 HydrophobicContact CG2-CB 4.03Å; V93-P149 HydrophobicContact CG2-CG 4.16Å
94I75.3Confident65.5Low0 Ų078.7 Ų78.70%041%0.412CS..EExtended strand (participates in β ladder)trans-99.9126.1177.5-68.7168.9000107L72 P96 T120 P122 I125L72-I94 HydrophobicContact CD1-CD1 3.29Å; I94-P96 VanDerWaalsContact O-CD 3.27Å; I94-P96 WeakPolarHBondContact O-CD 3.49Å; I94-T120 PolarHBondContact N-O 2.95Å; I94-T120 PolarHBondContact O-N 3.04Å; I94-T120 VanDerWaalsContact O-N 3.14Å; I94-T120 PolarHBondContact O-OG1 3.18Å; I94-P122 HydrophobicContact CD1-CG 3.87Å; I94-I125 HydrophobicContact CD1-CD1 3.72Å; I94-I125 HydrophobicContact CG2-CD1 4.41Å
95E70.6Confident64.3Low46 Ų4681.4 Ų81.422%0.21544%0.435CS..  trans-99.798.7170.4-71.5173.5177.600107V62 Q97 L119V62-E95 HydrophobicContact CG1-CB 4.46Å; V62-E95 VanDerWaalsContact CG1-CD 3.48Å; V62-E95 HydrophobicContact CG1-CG 3.83Å; E95-Q97 PolarHBondContact O-N 3.25Å; E95-L119 HydrophobicContact CG-CD2 3.9Å
96P62Low62.9Low29 Ų2983.6 Ų83.619%0.18844%0.439CS..  trans-64.1125.7173.625.6-30.4000108.9I94 G98 E118I94-P96 VanDerWaalsContact O-CD 3.27Å; I94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-G98 PolarHBondContact O-N 3.39Å; P96-G98 VanDerWaalsContact O-N 3.08Å; P96-E118 WeakPolarHBondContact CD-O 3.43Å
97Q56.1Low61.7Low173 Ų17376 Ų7681%0.80843%0.433SS*.SBendtrans-83.572.3170.7-65.1-166.52.300109.2E95E95-Q97 PolarHBondContact O-N 3.25Å
98G56Low61.3Low41 Ų4181.3 Ų81.342%0.42344%0.436SS..  trans173.4134.117600000112.5P96P96-G98 PolarHBondContact O-N 3.39Å; P96-G98 VanDerWaalsContact O-N 3.08Å
99G58.3Low60.7Low49 Ų4982 Ų8251%0.50545%0.451SS..SBendtrans167.8-169.4-177.700000112.1Y115G99-Y115 VanDerWaalsContact N-CD1 3.28Å; G99-Y115 WeakPolarHBondContact O-CD1 3.15Å; G99-Y115 WeakPolarHBondContact O-CE1 3.36Å
100E48.5Very low60.1Low146 Ų14680.6 Ų80.668%0.68245%0.446SS*.  trans-70.1140167-70.6-167.3162.700110.3E116E100-E116 PolarHBondContact O-N 3.4Å
101M51.9Low60Low97 Ų9788.3 Ų88.348%0.47847%0.474SS..EExtended strand (participates in β ladder)trans-86.8126.8177.5-68.8-166.7-178.200110.5L113 Y115M101-L113 HydrophobicContact CB-CD1 3.65Å; M101-L113 HydrophobicContact CB-CD2 4.21Å; M101-L113 HydrophobicContact CB-CG 3.75Å; M101-L113 HydrophobicContact CG-CG 4.32Å; M101-L113 HydrophobicContact SD-CD2 3.53Å; M101-L113 VanDerWaalsContact SD-CD2 3.53Å; M101-L113 HydrophobicContact SD-CG 3.74Å; M101-Y115 HydrophobicContact CE-CE1 3.73Å; M101-Y115 HydrophobicContact CE-CE2 3.9Å; M101-Y115 WeakPolarHBondContact CE-OH 3.49Å; M101-Y115 HydrophobicContact CG-CD1 3.87Å; M101-Y115 HydrophobicContact CG-CE1 3.75Å
102R54.3Low59.4Low133 Ų13387.5 Ų87.550%0.50247%0.472SS..EExtended strand (participates in β ladder)trans-117.5149.9173.5-72.3-172.1176.6178.5-1.5111.3M104 T114 E116R102-M104 PolarHBondContact O-N 3.38Å; R102-T114 PolarHBondContact N-O 2.98Å; R102-T114 PolarHBondContact O-N 2.93Å; R102-T114 VanDerWaalsContact O-O 3.08Å; R102-E116 IonicContact CZ-OE1 3.49Å; R102-E116 IonicContact CZ-OE2 2.95Å; R102-E116 IonicContact NE-OE1 3.74Å; R102-E116 IonicContact NE-OE2 2.98Å; R102-E116 PolarHBondContact NE-OE2 3.27Å; R102-E116 IonicContact NH1-OE1 3.9Å; R102-E116 PolarHBondContact NH1-OE1 3Å; R102-E116 IonicContact NH1-OE2 2.8Å; R102-E116 IonicContact NH2-OE1 3.21Å; R102-E116 IonicContact NH2-OE2 3.36Å
103W60.9Low58.7Low162 Ų16289.9 Ų89.961%0.61448%0.484SS*.EExtended strand (participates in β ladder)trans-77.3107.8172.2-72.9103.5000109.2W111 L113W103-W111 HydrophobicContact CB-CE3 3.91Å; W103-W111 HydrophobicContact CD2-CB 4.47Å; W103-W111 HydrophobicContact CE3-CB 3.65Å; W103-W111 HydrophobicContact CZ3-CB 4.19Å; W103-W111 WeakPolarHBondContact CZ3-O 3.29Å; W103-L113 HydrophobicContact CD2-CB 4.29Å; W103-L113 HydrophobicContact CD2-CD1 4.07Å; W103-L113 HydrophobicContact CE3-CB 4.05Å; W103-L113 HydrophobicContact CG-CD1 4.22Å; W103-L113 HydrophobicContact CH2-CB 4.15Å; W103-L113 HydrophobicContact CZ2-CB 4.34Å; W103-L113 HydrophobicContact CZ2-CD1 4.45Å; W103-L113 HydrophobicContact CZ3-CB 4Å
104M54.9Low57.6Low110 Ų11091.9 Ų91.954%0.54250%0.497SS..EExtended strand (participates in β ladder)trans-96.2126.4174.1-70.4-76-86.700108.9R102 Q106 W111 S112 T114R102-M104 PolarHBondContact O-N 3.38Å; M104-Q106 PolarHBondContact O-N 3.28Å; M104-W111 WeakPolarHBondContact O-CA 3.41Å; M104-S112 PolarHBondContact N-O 2.99Å; M104-S112 PolarHBondContact O-N 3.37Å; M104-S112 PolarHBondContact O-OG 3.42Å; M104-T114 WeakPolarHBondContact CG-OG1 3.3Å
105A55.4Low56.7Low61 Ų6196.7 Ų96.750%0.50452%0.515SS..EExtended strand (participates in β ladder)trans-75.2104.4170.800000108.6W111A105-W111 HydrophobicContact CB-CD2 4.21Å; A105-W111 HydrophobicContact CB-CE3 3.96Å; A105-W111 HydrophobicContact CB-CH2 4.18Å; A105-W111 HydrophobicContact CB-CZ2 4.38Å; A105-W111 HydrophobicContact CB-CZ3 3.96Å
106Q51.1Low55.9Low120 Ų12098.1 Ų98.156%0.56152%0.522SS*.EExtended strand (participates in β ladder)trans-72.5136.3164.1-66-164.2-6.200107.4M104 E108 G109 L110M104-Q106 PolarHBondContact O-N 3.28Å; Q106-E108 PolarHBondContact O-N 3.35Å; Q106-G109 PolarHBondContact O-N 3.26Å; Q106-L110 PolarHBondContact N-O 3.02Å
107G45.8Very low55.8Low71 Ų71102.5 Ų102.573%0.73254%0.54SS*.THydrogen-bonded Turntrans-46.4139.2178.300000110.4
108E55Low56Low190 Ų190100.5 Ų100.589%0.88853%0.531SS*.THydrogen-bonded Turntrans93.67.3-167.1-52.3-174.6172.800116.5Q106 L110Q106-E108 PolarHBondContact O-N 3.35Å; E108-L110 VanDerWaalsContact C-N 3.34Å
109G54.8Low56.8Low61 Ų61101.2 Ų101.263%0.62953%0.525SS*.THydrogen-bonded Turntrans82.111.8169.700000114.4Q106Q106-G109 PolarHBondContact O-N 3.26Å
110L49.2Very low57.8Low119 Ų119100 Ų10062%0.62351%0.508SS*.EExtended strand (participates in β ladder)trans-84.5125.6166.7-85.9106.2000110Q106 E108Q106-L110 PolarHBondContact N-O 3.02Å; E108-L110 VanDerWaalsContact C-N 3.34Å
111W67.4Low59.6Low165 Ų16593.3 Ų93.363%0.62548%0.477SS*.EExtended strand (participates in β ladder)trans-90.5124170.3-60.684.1000108.4W103 M104 A105W103-W111 HydrophobicContact CB-CE3 3.91Å; W103-W111 HydrophobicContact CD2-CB 4.47Å; W103-W111 HydrophobicContact CE3-CB 3.65Å; W103-W111 HydrophobicContact CZ3-CB 4.19Å; W103-W111 WeakPolarHBondContact CZ3-O 3.29Å; M104-W111 WeakPolarHBondContact O-CA 3.41Å; A105-W111 HydrophobicContact CB-CD2 4.21Å; A105-W111 HydrophobicContact CB-CE3 3.96Å; A105-W111 HydrophobicContact CB-CH2 4.18Å; A105-W111 HydrophobicContact CB-CZ2 4.38Å; A105-W111 HydrophobicContact CB-CZ3 3.96Å
112S63Low61.3Low29 Ų2988.7 Ų88.720%0.20345%0.454CS..EExtended strand (participates in β ladder)trans-111131.9171.761.30000109.5M104 T114M104-S112 PolarHBondContact N-O 2.99Å; M104-S112 PolarHBondContact O-N 3.37Å; M104-S112 PolarHBondContact O-OG 3.42Å; S112-T114 PolarHBondContact O-N 2.84Å
113L63.1Low63Low80 Ų8082.6 Ų82.642%0.41943%0.431SS..EExtended strand (participates in β ladder)trans-77.9106172.9-17268.2000108.4M101 W103M101-L113 HydrophobicContact CB-CD1 3.65Å; M101-L113 HydrophobicContact CB-CD2 4.21Å; M101-L113 HydrophobicContact CB-CG 3.75Å; M101-L113 HydrophobicContact CG-CG 4.32Å; M101-L113 HydrophobicContact SD-CD2 3.53Å; M101-L113 VanDerWaalsContact SD-CD2 3.53Å; M101-L113 HydrophobicContact SD-CG 3.74Å; W103-L113 HydrophobicContact CD2-CB 4.29Å; W103-L113 HydrophobicContact CD2-CD1 4.07Å; W103-L113 HydrophobicContact CE3-CB 4.05Å; W103-L113 HydrophobicContact CG-CD1 4.22Å; W103-L113 HydrophobicContact CH2-CB 4.15Å; W103-L113 HydrophobicContact CZ2-CB 4.34Å; W103-L113 HydrophobicContact CZ2-CD1 4.45Å; W103-L113 HydrophobicContact CZ3-CB 4Å
114T55.8Low64.4Low47 Ų4775.1 Ų75.129%0.28840%0.403SS..EExtended strand (participates in β ladder)trans-127150.1-178.753.70000110.1R102 M104 S112R102-T114 PolarHBondContact N-O 2.98Å; R102-T114 PolarHBondContact O-N 2.93Å; R102-T114 VanDerWaalsContact O-O 3.08Å; M104-T114 WeakPolarHBondContact CG-OG1 3.3Å; S112-T114 PolarHBondContact O-N 2.84Å
115Y56.3Low66Low101 Ų10170.5 Ų70.540%0.39638%0.381SS..EExtended strand (participates in β ladder)trans-58.6141.8171.6-68-70.8000110.7G99 M101 Q117G99-Y115 VanDerWaalsContact N-CD1 3.28Å; G99-Y115 WeakPolarHBondContact O-CD1 3.15Å; G99-Y115 WeakPolarHBondContact O-CE1 3.36Å; M101-Y115 HydrophobicContact CE-CE1 3.73Å; M101-Y115 HydrophobicContact CE-CE2 3.9Å; M101-Y115 WeakPolarHBondContact CE-OH 3.49Å; M101-Y115 HydrophobicContact CG-CD1 3.87Å; M101-Y115 HydrophobicContact CG-CE1 3.75Å; Y115-Q117 PolarHBondContact O-N 3.12Å; Y115-Q117 VanDerWaalsContact O-N 3.08Å
116E54.8Low67.7Low77 Ų7767.6 Ų67.636%0.3636%0.357SS..  trans-57.9112.7167.3-168149.5-137.600108E100 R102 E118E100-E116 PolarHBondContact O-N 3.4Å; R102-E116 IonicContact CZ-OE1 3.49Å; R102-E116 IonicContact CZ-OE2 2.95Å; R102-E116 IonicContact NE-OE1 3.74Å; R102-E116 IonicContact NE-OE2 2.98Å; R102-E116 PolarHBondContact NE-OE2 3.27Å; R102-E116 IonicContact NH1-OE1 3.9Å; R102-E116 PolarHBondContact NH1-OE1 3Å; R102-E116 IonicContact NH1-OE2 2.8Å; R102-E116 IonicContact NH2-OE1 3.21Å; R102-E116 IonicContact NH2-OE2 3.36Å; E116-E118 VanDerWaalsContact C-N 3.33Å; E116-E118 PolarHBondContact O-N 2.88Å
117Q58.3Low69.7Low120 Ų12061.9 Ų61.956%0.56133%0.33SS*.  trans-80.485.3-177.5-69.1-176.5-27.900108.4Y115 L119Y115-Q117 PolarHBondContact O-N 3.12Å; Y115-Q117 VanDerWaalsContact O-N 3.08Å; Q117-L119 VanDerWaalsContact C-N 3.26Å; Q117-L119 PolarHBondContact O-N 3.48Å
118E61.8Low71.8Confident131 Ų13159 Ų5961%0.61230%0.3SS*.  trans-6892.8164.4-71.3-179.2-172.300107.9P96 E116 T120P96-E118 WeakPolarHBondContact CD-O 3.43Å; E116-E118 VanDerWaalsContact C-N 3.33Å; E116-E118 PolarHBondContact O-N 2.88Å; E118-T120 HydrophobicContact CB-CG2 4.36Å; E118-T120 PolarHBondContact O-N 3.06Å
119L71.4Confident73.4Confident56 Ų5656.4 Ų56.429%0.29328%0.282SS..  trans-63.8109.5173-59.9175.1000107.2V93 E95 Q117 P149 G150V93-L119 HydrophobicContact CG1-CB 3.85Å; V93-L119 HydrophobicContact CG1-CD2 3.76Å; V93-L119 HydrophobicContact CG1-CG 4.32Å; E95-L119 HydrophobicContact CG-CD2 3.9Å; Q117-L119 VanDerWaalsContact C-N 3.26Å; Q117-L119 PolarHBondContact O-N 3.48Å; L119-P149 HydrophobicContact CB-CB 3.78Å; L119-P149 HydrophobicContact CB-CG 4.25Å; L119-P149 WeakPolarHBondContact O-CG 3.49Å; L119-G150 PolarHBondContact O-N 3.15Å
120T79.8Confident75.2Confident25 Ų2554.4 Ų54.415%0.15326%0.261CS..BIsolated β-bridgetrans-115.8161.3-18054.30000109.9V93 I94 E118V93-T120 CarbonylContact C-O 3.56Å; V93-T120 WeakPolarHBondContact CA-O 3.38Å; I94-T120 PolarHBondContact N-O 2.95Å; I94-T120 PolarHBondContact O-N 3.04Å; I94-T120 VanDerWaalsContact O-N 3.14Å; I94-T120 PolarHBondContact O-OG1 3.18Å; E118-T120 HydrophobicContact CB-CG2 4.36Å; E118-T120 PolarHBondContact O-N 3.06Å
121T86.6Confident77.4Confident4 Ų451.3 Ų51.33%0.02524%0.243CC..  trans-114159.4172.177.40000109.8L123 H124 I125 L147 P149T121-L123 PolarHBondContact O-N 3.5Å; T121-L123 WeakPolarHBondContact OG1-CB 3.09Å; T121-L123 PolarHBondContact OG1-N 3.17Å; T121-H124 PolarHBondContact N-ND1 2.95Å; T121-H124 PolarHBondContact O-N 3.12Å; T121-H124 PolarHBondContact OG1-CE1 3.41Å; T121-H124 PolarHBondContact OG1-N 2.82Å; T121-H124 PolarHBondContact OG1-ND1 3Å; T121-I125 PolarHBondContact O-N 3.41Å; T121-L147 HydrophobicContact CG2-CD2 3.84Å; T121-L147 HydrophobicContact CG2-CG 4.01Å; T121-P149 HydrophobicContact CG2-CG 3.54Å
122P87.4Confident78.7Confident1 Ų145.2 Ų45.21%0.00622%0.224CC..Hα-helixtrans-47.9-33.2170.3-29.334.6000113.5L72 F84 L92 I94 T126 L138L72-P122 HydrophobicContact CD1-CB 3.81Å; L72-P122 HydrophobicContact CD1-CG 3.95Å; L72-P122 HydrophobicContact CD2-CB 3.73Å; L72-P122 HydrophobicContact CG-CB 4.46Å; F84-P122 HydrophobicContact CZ-CG 4.46Å; L92-P122 HydrophobicContact CB-CG 4.2Å; L92-P122 WeakPolarHBondContact O-CD 3.5Å; I94-P122 HydrophobicContact CD1-CG 3.87Å; P122-T126 WeakPolarHBondContact O-CG2 3.39Å; P122-T126 PolarHBondContact O-N 3.23Å; P122-T126 VanDerWaalsContact O-N 3.16Å; P122-T126 PolarHBondContact O-OG1 3.45Å; P122-L138 HydrophobicContact CB-CD1 3.79Å; P122-L138 HydrophobicContact CB-CD2 4.21Å
123L90Very high80.2Confident4 Ų448.9 Ų48.92%0.02124%0.241CC..Hα-helixtrans-67.6-39.6178.6-158.176.7000112.2T121 T126 A127 L135 L138 L139 A143 A154 L170T121-L123 PolarHBondContact O-N 3.5Å; T121-L123 WeakPolarHBondContact OG1-CB 3.09Å; T121-L123 PolarHBondContact OG1-N 3.17Å; L123-T126 PolarHBondContact O-OG1 3.11Å; L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.45Å; L123-L135 HydrophobicContact CD1-CD1 3.39Å; L123-L135 HydrophobicContact CD1-CG 4.35Å; L123-L135 HydrophobicContact CG-CD1 3.77Å; L123-L138 HydrophobicContact CD1-CB 4.23Å; L123-L139 HydrophobicContact CD1-CD2 3.77Å; L123-L139 HydrophobicContact CD1-CG 3.88Å; L123-L139 HydrophobicContact CD2-CD2 4.28Å; L123-A143 HydrophobicContact CD1-CB 4.15Å; L123-A154 HydrophobicContact CB-CB 4.26Å; L123-A154 HydrophobicContact CD2-CB 3.8Å; L123-A154 HydrophobicContact CG-CB 3.9Å; L123-L170 HydrophobicContact CD1-CD2 4.4Å; L123-L170 HydrophobicContact CD2-CD2 3.82Å; L123-L170 HydrophobicContact CG-CD2 4.11Å
124H89.8Confident81.5Confident5 Ų545.2 Ų45.22%0.02322%0.222CC..Hα-helixtrans-65.3-48.7177.2-64.277.7000111.1T121 T126 A127 G128 L147 T152 T153 A154T121-H124 PolarHBondContact N-ND1 2.95Å; T121-H124 PolarHBondContact O-N 3.12Å; T121-H124 PolarHBondContact OG1-CE1 3.41Å; T121-H124 PolarHBondContact OG1-N 2.82Å; T121-H124 PolarHBondContact OG1-ND1 3Å; H124-T126 VanDerWaalsContact C-N 3.33Å; H124-T126 PolarHBondContact O-N 3.01Å; H124-A127 PolarHBondContact O-N 2.79Å; H124-G128 PolarHBondContact O-N 3.08Å; H124-L147 PolarHBondContact CE1-O 3.21Å; H124-T152 PolarHBondContact NE2-O 3.04Å; H124-T153 VanDerWaalsContact CD2-C 3.5Å; H124-A154 PolarHBondContact CD2-N 3.47Å; H124-A154 VanDerWaalsContact CD2-N 3.33Å; H124-A154 PolarHBondContact NE2-N 3.27Å
125I88.3Confident83.3Confident14 Ų1443 Ų437%0.07221%0.208CC..Hα-helixtrans-59.8-46-177.9-60.3171.5000110.6L72 Y73 I94 T121 R129L72-I125 HydrophobicContact CB-CG2 4.35Å; Y73-I125 HydrophobicContact CD1-CG2 3.71Å; Y73-I125 HydrophobicContact CE1-CD1 4.21Å; Y73-I125 HydrophobicContact CE1-CG1 4.35Å; Y73-I125 HydrophobicContact CE1-CG2 3.79Å; Y73-I125 HydrophobicContact CE2-CD1 4.22Å; Y73-I125 HydrophobicContact CG-CG2 4.34Å; I94-I125 HydrophobicContact CD1-CD1 3.72Å; I94-I125 HydrophobicContact CG2-CD1 4.41Å; T121-I125 PolarHBondContact O-N 3.41Å; I125-R129 WeakPolarHBondContact O-CB 3.05Å; I125-R129 WeakPolarHBondContact O-CG 3.35Å; I125-R129 PolarHBondContact O-N 2.95Å; I125-R129 VanDerWaalsContact O-N 3.12Å
126T91.2Very high85.1Confident0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-70.1-34.6179.451.50000112.4L72 P122 L123 H124 G130 F131 C134 L135 L138L72-T126 HydrophobicContact CD2-CG2 4.05Å; P122-T126 WeakPolarHBondContact O-CG2 3.39Å; P122-T126 PolarHBondContact O-N 3.23Å; P122-T126 VanDerWaalsContact O-N 3.16Å; P122-T126 PolarHBondContact O-OG1 3.45Å; L123-T126 PolarHBondContact O-OG1 3.11Å; H124-T126 VanDerWaalsContact C-N 3.33Å; H124-T126 PolarHBondContact O-N 3.01Å; T126-G130 PolarHBondContact O-N 3.31Å; T126-F131 HydrophobicContact CG2-CB 4.4Å; T126-F131 HydrophobicContact CG2-CD2 4.49Å; T126-F131 PolarHBondContact O-N 3.02Å; T126-C134 HydrophobicContact CG2-CB 3.61Å; T126-L135 WeakPolarHBondContact OG1-CD1 3.34Å; T126-L138 HydrophobicContact CG2-CD1 3.93Å
127A93.1Very high86.9Confident0 Ų039.7 Ų39.70%019%0.193CC..Hα-helixtrans-66.9-49.9175.600000112.4L123 H124 R129 G130 L135 A154 A158 Q163 L170L123-A127 WeakPolarHBondContact O-CB 3.39Å; L123-A127 PolarHBondContact O-N 3.45Å; H124-A127 PolarHBondContact O-N 2.79Å; A127-R129 PolarHBondContact O-N 3.36Å; A127-G130 PolarHBondContact O-N 3.29Å; A127-L135 HydrophobicContact CB-CD1 4.07Å; A127-A154 HydrophobicContact CB-CB 4.18Å; A127-A154 WeakPolarHBondContact CB-O 3.06Å; A127-A158 HydrophobicContact CB-CB 4.22Å; A127-Q163 WeakPolarHBondContact O-CB 3.3Å; A127-Q163 WeakPolarHBondContact O-CG 3.19Å; A127-L170 HydrophobicContact CB-CD1 4.08Å
128G89.9Confident88.4Confident9 Ų934 Ų349%0.09317%0.166CC..Hα-helixtrans-65.7-36.5179.800000113.2H124 G130 S161 Q163H124-G128 PolarHBondContact O-N 3.08Å; G128-G130 VanDerWaalsContact C-N 3.34Å; G128-G130 PolarHBondContact O-N 2.93Å; G128-S161 WeakPolarHBondContact O-CB 3.4Å; G128-S161 PolarHBondContact O-OG 3.33Å; G128-Q163 WeakPolarHBondContact O-CG 3.17Å
129R90.4Very high89.8Confident136 Ų13628.2 Ų28.251%0.51314%0.139SC..THydrogen-bonded Turntrans-82.1-6.8178.3-68.3-167.4170-144.6-5.5115.1Y73 I125 A127 F131Y73-R129 PolarHBondContact O-NH1 3.1Å; I125-R129 WeakPolarHBondContact O-CB 3.05Å; I125-R129 WeakPolarHBondContact O-CG 3.35Å; I125-R129 PolarHBondContact O-N 2.95Å; I125-R129 VanDerWaalsContact O-N 3.12Å; A127-R129 PolarHBondContact O-N 3.36Å; R129-F131 HydrophobicContact CB-CD1 4.46Å; R129-F131 HydrophobicContact CB-CD2 3.83Å; R129-F131 HydrophobicContact CB-CE1 4.29Å; R129-F131 HydrophobicContact CB-CE2 3.64Å; R129-F131 HydrophobicContact CB-CG 4.24Å; R129-F131 HydrophobicContact CB-CZ 3.89Å; R129-F131 HydrophobicContact CG-CE2 4.26Å
130G91.9Very high90.7Very high19 Ų1931 Ų3120%0.19615%0.15CC..THydrogen-bonded Turntrans78.420.2-179.800000114.5T126 A127 G128 V132 Q163T126-G130 PolarHBondContact O-N 3.31Å; A127-G130 PolarHBondContact O-N 3.29Å; G128-G130 VanDerWaalsContact C-N 3.34Å; G128-G130 PolarHBondContact O-N 2.93Å; G130-V132 VanDerWaalsContact C-N 3.28Å; G130-V132 PolarHBondContact O-N 3.23Å; G130-Q163 VanDerWaalsContact CA-OE1 3.24Å
131F94.6Very high91Very high55 Ų5531.6 Ų31.624%0.24115%0.15CC..  trans-80.972.5179.8-60.1-33.8000111.5L72 Y73 T126 R129 D133 C134 L135L72-F131 WeakPolarHBondContact O-CE2 3.49Å; Y73-F131 WeakPolarHBondContact O-CE2 3.39Å; T126-F131 HydrophobicContact CG2-CB 4.4Å; T126-F131 HydrophobicContact CG2-CD2 4.49Å; T126-F131 PolarHBondContact O-N 3.02Å; R129-F131 HydrophobicContact CB-CD1 4.46Å; R129-F131 HydrophobicContact CB-CD2 3.83Å; R129-F131 HydrophobicContact CB-CE1 4.29Å; R129-F131 HydrophobicContact CB-CE2 3.64Å; R129-F131 HydrophobicContact CB-CG 4.24Å; R129-F131 HydrophobicContact CB-CZ 3.89Å; R129-F131 HydrophobicContact CG-CE2 4.26Å; F131-D133 VanDerWaalsContact C-N 3.31Å; F131-D133 PolarHBondContact O-N 3.46Å; F131-C134 HydrophobicContact CB-CB 3.88Å; F131-C134 WeakPolarHBondContact O-CB 3.47Å; F131-C134 PolarHBondContact O-N 3.2Å; F131-L135 WeakPolarHBondContact O-CB 3.43Å; F131-L135 PolarHBondContact O-N 3.43Å
132V95Very high90.9Very high37 Ų3733.6 Ų33.622%0.22417%0.171CC..Hα-helixtrans-55.1-41.6-173.3-175.80000112.9G130 L135 R136 E165 L169G130-V132 VanDerWaalsContact C-N 3.28Å; G130-V132 PolarHBondContact O-N 3.23Å; V132-L135 PolarHBondContact O-N 3.32Å; V132-R136 WeakPolarHBondContact O-CB 3.4Å; V132-R136 PolarHBondContact O-N 3.01Å; V132-E165 HydrophobicContact CG2-CB 3.89Å; V132-L169 HydrophobicContact CG1-CD2 4.39Å
133D93.9Very high90.9Very high106 Ų10634 Ų3457%0.56718%0.175SC*.Hα-helixtrans-71-39.8-178.8-67.8-34.1000112.4V77 F131 L135 R136 L137V77-D133 HydrophobicContact CG2-CB 3.89Å; F131-D133 VanDerWaalsContact C-N 3.31Å; F131-D133 PolarHBondContact O-N 3.46Å; D133-L135 VanDerWaalsContact C-N 3.34Å; D133-R136 PolarHBondContact O-N 3.22Å; D133-L137 WeakPolarHBondContact O-CB 3.14Å; D133-L137 PolarHBondContact O-N 3.14Å
134C91.8Very high90.8Very high2 Ų237.7 Ų37.71%0.01420%0.195CC..Hα-helixtrans-63.5-44.1173-61.40000110.6G75 V77 L80 T126 F131 L137 L138G75-C134 PolarHBondContact O-SG 3.22Å; G75-C134 VanDerWaalsContact O-SG 3.39Å; V77-C134 WeakPolarHBondContact CG2-SG 3.3Å; L80-C134 HydrophobicContact CD1-CB 3.61Å; L80-C134 VanDerWaalsContact CD1-SG 3.59Å; T126-C134 HydrophobicContact CG2-CB 3.61Å; F131-C134 HydrophobicContact CB-CB 3.88Å; F131-C134 WeakPolarHBondContact O-CB 3.47Å; F131-C134 PolarHBondContact O-N 3.2Å; C134-L137 WeakPolarHBondContact O-CB 3.31Å; C134-L137 PolarHBondContact O-N 2.96Å; C134-L138 VanDerWaalsContact O-CG 3.29Å; C134-L138 WeakPolarHBondContact O-CG 2.92Å; C134-L138 PolarHBondContact O-N 3.04Å
135L93.7Very high90.8Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-60.6-47.9178-171.771.9000111L123 T126 A127 F131 V132 D133 L137 L138 L139 C166 L169 L170L123-L135 HydrophobicContact CD1-CD1 3.39Å; L123-L135 HydrophobicContact CD1-CG 4.35Å; L123-L135 HydrophobicContact CG-CD1 3.77Å; T126-L135 WeakPolarHBondContact OG1-CD1 3.34Å; A127-L135 HydrophobicContact CB-CD1 4.07Å; F131-L135 WeakPolarHBondContact O-CB 3.43Å; F131-L135 PolarHBondContact O-N 3.43Å; V132-L135 PolarHBondContact O-N 3.32Å; D133-L135 VanDerWaalsContact C-N 3.34Å; L135-L137 VanDerWaalsContact C-N 3.34Å; L135-L137 PolarHBondContact O-N 2.98Å; L135-L138 PolarHBondContact O-N 3.34Å; L135-L139 HydrophobicContact CG-CD1 4.19Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.25Å; L135-L139 PolarHBondContact O-N 3.33Å; L135-C166 HydrophobicContact CD2-CB 3.6Å; L135-L169 HydrophobicContact CB-CD2 4.35Å; L135-L169 HydrophobicContact CD2-CB 4.48Å; L135-L169 HydrophobicContact CD2-CD2 4.09Å; L135-L169 HydrophobicContact CG-CD2 4.2Å; L135-L170 HydrophobicContact CD1-CD2 4.24Å; L135-L170 HydrophobicContact CD2-CD2 4.47Å; L135-L170 HydrophobicContact CD2-CG 4.14Å
136R93.9Very high90.8Very high98 Ų9840.7 Ų40.737%0.3721%0.212SC..Hα-helixtrans-57-47.8175.2-173.6-173-53.7-72.7-7.1111.7V132 D133 L138 L139 E140 L169V132-R136 WeakPolarHBondContact O-CB 3.4Å; V132-R136 PolarHBondContact O-N 3.01Å; D133-R136 PolarHBondContact O-N 3.22Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 2.76Å; R136-L139 PolarHBondContact O-N 3.01Å; R136-E140 HydrophobicContact CG-CG 4.48Å; R136-E140 WeakPolarHBondContact CG-OE1 2.95Å; R136-E140 WeakPolarHBondContact O-CB 3.42Å; R136-E140 WeakPolarHBondContact O-CG 2.92Å; R136-E140 PolarHBondContact O-N 2.9Å; R136-L169 HydrophobicContact CB-CD2 3.77Å; R136-L169 HydrophobicContact CG-CD2 4.45Å
137L91.2Very high90.6Very high12 Ų1242.5 Ų42.56%0.06322%0.221CC..Hα-helixtrans-57.7-47.7178.7179.669.2000111.1L80 K81 D133 C134 L135 E140 R141L80-L137 HydrophobicContact CB-CD2 3.8Å; K81-L137 HydrophobicContact CB-CD2 4.45Å; K81-L137 HydrophobicContact CG-CD1 3.98Å; K81-L137 HydrophobicContact CG-CD2 3.67Å; D133-L137 WeakPolarHBondContact O-CB 3.14Å; D133-L137 PolarHBondContact O-N 3.14Å; C134-L137 WeakPolarHBondContact O-CB 3.31Å; C134-L137 PolarHBondContact O-N 2.96Å; L135-L137 VanDerWaalsContact C-N 3.34Å; L135-L137 PolarHBondContact O-N 2.98Å; L137-E140 PolarHBondContact O-N 2.84Å; L137-R141 VanDerWaalsContact CD1-NH2 3.32Å; L137-R141 VanDerWaalsContact O-CG 3.28Å; L137-R141 WeakPolarHBondContact O-CG 3.47Å; L137-R141 PolarHBondContact O-N 2.78Å; L137-R141 VanDerWaalsContact O-N 3.1Å
138L90.1Very high90.2Very high1 Ų144 Ų441%0.00523%0.233CC..Hα-helixtrans-62.7-42.4179.8-69.1169000111.8L72 F84 A90 P122 L123 T126 C134 L135 R136 R141 G142 A143L72-L138 HydrophobicContact CD2-CD1 4.3Å; F84-L138 HydrophobicContact CD2-CD2 4.1Å; F84-L138 HydrophobicContact CE2-CD2 4.12Å; F84-L138 HydrophobicContact CG-CD2 4.35Å; F84-L138 HydrophobicContact CZ-CD2 4.38Å; A90-L138 HydrophobicContact CB-CD2 4.03Å; P122-L138 HydrophobicContact CB-CD1 3.79Å; P122-L138 HydrophobicContact CB-CD2 4.21Å; L123-L138 HydrophobicContact CD1-CB 4.23Å; T126-L138 HydrophobicContact CG2-CD1 3.93Å; C134-L138 VanDerWaalsContact O-CG 3.29Å; C134-L138 WeakPolarHBondContact O-CG 2.92Å; C134-L138 PolarHBondContact O-N 3.04Å; L135-L138 PolarHBondContact O-N 3.34Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 2.76Å; L138-R141 CarbonylContact O-C 3.59Å; L138-R141 PolarHBondContact O-N 3.33Å; L138-R141 VanDerWaalsContact O-N 3.12Å; L138-G142 PolarHBondContact O-N 3.43Å; L138-A143 HydrophobicContact CB-CB 4.3Å; L138-A143 VanDerWaalsContact O-CB 3.25Å; L138-A143 WeakPolarHBondContact O-CB 3.27Å; L138-A143 PolarHBondContact O-N 2.72Å; L138-A143 VanDerWaalsContact O-N 3.14Å
139L91.1Very high89.5Confident8 Ų845.2 Ų45.24%0.04224%0.24CC..Hα-helixtrans-63-44.5175.9-69.5169.3000112L123 L135 R136 R141 G142 V145 L169 L170 Y173L123-L139 HydrophobicContact CD1-CD2 3.77Å; L123-L139 HydrophobicContact CD1-CG 3.88Å; L123-L139 HydrophobicContact CD2-CD2 4.28Å; L135-L139 HydrophobicContact CG-CD1 4.19Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.25Å; L135-L139 PolarHBondContact O-N 3.33Å; R136-L139 PolarHBondContact O-N 3.01Å; L139-R141 PolarHBondContact O-N 2.81Å; L139-G142 PolarHBondContact O-N 3.25Å; L139-V145 HydrophobicContact CD2-CG2 3.65Å; L139-L169 HydrophobicContact CD1-CD2 3.93Å; L139-L169 HydrophobicContact CD1-CG 3.84Å; L139-L170 HydrophobicContact CD1-CD2 4.39Å; L139-L170 HydrophobicContact CD2-CD2 4.38Å; L139-Y173 HydrophobicContact CB-CD1 3.81Å; L139-Y173 HydrophobicContact CB-CD2 4.4Å; L139-Y173 HydrophobicContact CB-CE1 3.78Å; L139-Y173 HydrophobicContact CB-CE2 4.38Å; L139-Y173 HydrophobicContact CB-CG 4.11Å; L139-Y173 HydrophobicContact CD1-CD1 4.5Å; L139-Y173 HydrophobicContact CD1-CD2 3.83Å; L139-Y173 HydrophobicContact CD1-CE2 4.26Å; L139-Y173 HydrophobicContact CD1-CG 3.95Å; L139-Y173 HydrophobicContact CD2-CD1 4.44Å; L139-Y173 HydrophobicContact CD2-CG 4.31Å; L139-Y173 HydrophobicContact CG-CD1 4.48Å; L139-Y173 HydrophobicContact CG-CG 4.36Å
140E90.3Very high88.8Confident114 Ų11440 Ų4053%0.53323%0.228SC..Hα-helixtrans-62-22.6173.9-73.3175.9-172.100112.9R136 L137 G142R136-E140 HydrophobicContact CG-CG 4.48Å; R136-E140 WeakPolarHBondContact CG-OE1 2.95Å; R136-E140 WeakPolarHBondContact O-CB 3.42Å; R136-E140 WeakPolarHBondContact O-CG 2.92Å; R136-E140 PolarHBondContact O-N 2.9Å; L137-E140 PolarHBondContact O-N 2.84Å; E140-G142 VanDerWaalsContact C-N 3.31Å
141R87.8Confident88.3Confident38 Ų3839.5 Ų39.514%0.14322%0.223CC..THydrogen-bonded Turntrans-90.511174.4-58-32.716975.46.2113.4F84 P85 S88 L137 L138 L139F84-R141 PolarHBondContact O-NH1 3.45Å; P85-R141 PolarHBondContact O-NH1 2.79Å; S88-R141 VanDerWaalsContact O-O 3.13Å; L137-R141 VanDerWaalsContact CD1-NH2 3.32Å; L137-R141 VanDerWaalsContact O-CG 3.28Å; L137-R141 WeakPolarHBondContact O-CG 3.47Å; L137-R141 PolarHBondContact O-N 2.78Å; L137-R141 VanDerWaalsContact O-N 3.1Å; L138-R141 CarbonylContact O-C 3.59Å; L138-R141 PolarHBondContact O-N 3.33Å; L138-R141 VanDerWaalsContact O-N 3.12Å; L139-R141 PolarHBondContact O-N 2.81Å
142G84.6Confident88Confident46 Ų4639 Ų3947%0.47423%0.225SC..THydrogen-bonded Turntrans78.529.2174.800000113.7L138 L139 E140 N144L138-G142 PolarHBondContact O-N 3.43Å; L139-G142 PolarHBondContact O-N 3.25Å; E140-G142 VanDerWaalsContact C-N 3.31Å; G142-N144 PolarHBondContact O-N 2.81Å
143A86.9Confident87.9Confident10 Ų1037.6 Ų37.68%0.08322%0.216CC..  trans-57.5132.2163.900000109.6A90 N91 L123 L138 V145A90-A143 HydrophobicContact CB-CB 3.98Å; N91-A143 WeakPolarHBondContact OD1-CA 3.38Å; L123-A143 HydrophobicContact CD1-CB 4.15Å; L138-A143 HydrophobicContact CB-CB 4.3Å; L138-A143 VanDerWaalsContact O-CB 3.25Å; L138-A143 WeakPolarHBondContact O-CB 3.27Å; L138-A143 PolarHBondContact O-N 2.72Å; L138-A143 VanDerWaalsContact O-N 3.14Å; A143-V145 PolarHBondContact O-N 3.39Å
144N87.9Confident87.9Confident81 Ų8132.6 Ų32.643%0.43319%0.189SC..  trans-74.5118175.2-179.85.9000109.2N91 G142 D146 L147N91-N144 WeakPolarHBondContact OD1-CB 3.43Å; N91-N144 PolarHBondContact OD1-N 3.34Å; G142-N144 PolarHBondContact O-N 2.81Å; N144-D146 PolarHBondContact OD1-N 3.39Å; N144-L147 HydrophobicContact CB-CB 3.93Å; N144-L147 WeakPolarHBondContact O-CB 3.31Å; N144-L147 PolarHBondContact O-N 2.64Å
145V89.8Confident88.1Confident16 Ų1632.5 Ų32.510%0.09719%0.189CC..THydrogen-bonded Turntrans-67.1-38.2-172.1-168.70000112.4L139 A143 L170 A175L139-V145 HydrophobicContact CD2-CG2 3.65Å; A143-V145 PolarHBondContact O-N 3.39Å; V145-L170 HydrophobicContact CG1-CB 4.38Å; V145-L170 HydrophobicContact CG1-CD2 3.87Å; V145-A175 HydrophobicContact CG1-CB 3.47Å; V145-A175 VanDerWaalsContact CG1-CB 3.47Å
146D87.7Confident88.1Confident67 Ų6732.8 Ų32.836%0.35819%0.19SC..THydrogen-bonded Turntrans-96.910.9-177.1-65.6-32.5000112.6N144 A148 A175 N176N144-D146 PolarHBondContact OD1-N 3.39Å; D146-A148 PolarHBondContact O-N 3.44Å; D146-A148 VanDerWaalsContact O-N 3.08Å; D146-A175 WeakPolarHBondContact OD1-CA 3.36Å; D146-N176 PolarHBondContact OD1-N 3.45Å
147L86.1Confident88Confident38 Ų3831.1 Ų31.120%0.19919%0.186CC..  trans-67111.3175.6178.660.5000109.1N91 T121 H124 N144 P149N91-L147 HydrophobicContact CB-CD2 4.21Å; T121-L147 HydrophobicContact CG2-CD2 3.84Å; T121-L147 HydrophobicContact CG2-CG 4.01Å; H124-L147 PolarHBondContact CE1-O 3.21Å; N144-L147 HydrophobicContact CB-CB 3.93Å; N144-L147 WeakPolarHBondContact O-CB 3.31Å; N144-L147 PolarHBondContact O-N 2.64Å; L147-P149 WeakPolarHBondContact O-CD 3.24Å
148A85.7Confident88.3Confident30 Ų3030.5 Ų30.525%0.24818%0.183CC..  trans-121.778.8-177.400000111D146 G150 G151 T152 T153D146-A148 PolarHBondContact O-N 3.44Å; D146-A148 VanDerWaalsContact O-N 3.08Å; A148-G150 VanDerWaalsContact C-N 3.33Å; A148-G150 PolarHBondContact O-N 3.09Å; A148-G151 PolarHBondContact O-N 3.24Å; A148-G151 VanDerWaalsContact O-N 3.15Å; A148-T152 VanDerWaalsContact CA-O 3.28Å; A148-T152 WeakPolarHBondContact CA-O 2.98Å; A148-T152 WeakPolarHBondContact CB-O 3.12Å; A148-T153 HydrophobicContact CB-CG2 3.91Å
149P75.3Confident88.5Confident35 Ų3530.5 Ų30.523%0.22718%0.183CC..THydrogen-bonded Turntrans-70.7-28.2-174.625-26.4000113.2V93 L119 T121 L147V93-P149 HydrophobicContact CG1-CB 4.47Å; V93-P149 HydrophobicContact CG2-CB 4.03Å; V93-P149 HydrophobicContact CG2-CG 4.16Å; L119-P149 HydrophobicContact CB-CB 3.78Å; L119-P149 HydrophobicContact CB-CG 4.25Å; L119-P149 WeakPolarHBondContact O-CG 3.49Å; T121-P149 HydrophobicContact CG2-CG 3.54Å; L147-P149 WeakPolarHBondContact O-CD 3.24Å
150G74.4Confident88.7Confident26 Ų2635.8 Ų35.827%0.26821%0.208SC..THydrogen-bonded Turntrans-96.219.1169.200000113.9L119 A148 T152L119-G150 PolarHBondContact O-N 3.15Å; A148-G150 VanDerWaalsContact C-N 3.33Å; A148-G150 PolarHBondContact O-N 3.09Å; G150-T152 PolarHBondContact O-N 2.97Å
151G82.4Confident88.8Confident9 Ų932.4 Ų32.49%0.09320%0.197CC..SBendtrans75.1-17.3-178.500000115.3A148 S181 E182A148-G151 PolarHBondContact O-N 3.24Å; A148-G151 VanDerWaalsContact O-N 3.15Å; G151-S181 CarbonylContact O-C 3.52Å; G151-S181 VanDerWaalsContact O-CA 3.3Å; G151-S181 WeakPolarHBondContact O-CA 3.25Å; G151-E182 PolarHBondContact O-N 3.25Å
152T88.8Confident89.2Confident45 Ų4531.9 Ų31.928%0.27620%0.198SC..  trans-90.6142.7167.854.80000110.7H124 A148 G150H124-T152 PolarHBondContact NE2-O 3.04Å; A148-T152 VanDerWaalsContact CA-O 3.28Å; A148-T152 WeakPolarHBondContact CA-O 2.98Å; A148-T152 WeakPolarHBondContact CB-O 3.12Å; G150-T152 PolarHBondContact O-N 2.97Å
153T92.6Very high89.8Confident8 Ų832.8 Ų32.85%0.04919%0.19CC..  trans-94.8159.2175.163.40000110.6H124 A148 L155 H156 E157 A179H124-T153 VanDerWaalsContact CD2-C 3.5Å; A148-T153 HydrophobicContact CB-CG2 3.91Å; T153-L155 PolarHBondContact O-N 3.45Å; T153-H156 WeakPolarHBondContact O-CB 3.45Å; T153-H156 PolarHBondContact O-N 2.92Å; T153-H156 PolarHBondContact OG1-N 3.36Å; T153-H156 PolarHBondContact OG1-ND1 2.98Å; T153-E157 PolarHBondContact O-N 2.94Å; T153-A179 HydrophobicContact CG2-CB 3.79Å
154A93.1Very high90.2Very high0 Ų033 Ų330%019%0.193CC..Hα-helixtrans-56.8-27.8174.700000113.1L123 H124 A127 A158 L170L123-A154 HydrophobicContact CB-CB 4.26Å; L123-A154 HydrophobicContact CD2-CB 3.8Å; L123-A154 HydrophobicContact CG-CB 3.9Å; H124-A154 PolarHBondContact CD2-N 3.47Å; H124-A154 VanDerWaalsContact CD2-N 3.33Å; H124-A154 PolarHBondContact NE2-N 3.27Å; A127-A154 HydrophobicContact CB-CB 4.18Å; A127-A154 WeakPolarHBondContact CB-O 3.06Å; A154-A158 PolarHBondContact O-N 2.96Å; A154-L170 HydrophobicContact CB-CD1 4.12Å; A154-L170 HydrophobicContact CB-CD2 4.26Å
155L95.9Very high90.7Very high1 Ų133.8 Ų33.81%0.00519%0.194CC..Hα-helixtrans-66.9-36174-175.762.4000113.2T153 C159 A167 L170 L171 A175 P187 L203T153-L155 PolarHBondContact O-N 3.45Å; L155-C159 PolarHBondContact O-N 3.38Å; L155-C159 VanDerWaalsContact O-N 3.15Å; L155-C159 PolarHBondContact O-SG 3.27Å; L155-A167 HydrophobicContact CD1-CB 4.03Å; L155-L170 HydrophobicContact CB-CD1 4.4Å; L155-L170 HydrophobicContact CD1-CB 4.29Å; L155-L170 HydrophobicContact CD1-CD1 4.47Å; L155-L171 HydrophobicContact CD1-CD1 4.5Å; L155-L171 HydrophobicContact CD1-CD2 4.31Å; L155-L171 HydrophobicContact CD1-CG 4.07Å; L155-L171 HydrophobicContact CD2-CD2 3.78Å; L155-L171 HydrophobicContact CD2-CG 4.43Å; L155-A175 HydrophobicContact CB-CB 4.44Å; L155-A175 HydrophobicContact CD2-CB 4.02Å; L155-P187 HydrophobicContact CD2-CB 4.21Å; L155-P187 HydrophobicContact CD2-CG 3.83Å; L155-P187 HydrophobicContact CG-CB 4.16Å; L155-P187 HydrophobicContact CG-CG 4.1Å; L155-L203 HydrophobicContact CD1-CD2 4.19Å; L155-L203 HydrophobicContact CD2-CD2 3.86Å; L155-L203 HydrophobicContact CG-CD2 4.2Å
156H94.8Very high91Very high5 Ų533.1 Ų33.12%0.02319%0.189CC..Hα-helixtrans-64.8-48.8175.6-73.792.4000109.7T153 A158 C159 E160 A179 L185 P187T153-H156 WeakPolarHBondContact O-CB 3.45Å; T153-H156 PolarHBondContact O-N 2.92Å; T153-H156 PolarHBondContact OG1-N 3.36Å; T153-H156 PolarHBondContact OG1-ND1 2.98Å; H156-A158 VanDerWaalsContact C-N 3.32Å; H156-A158 PolarHBondContact O-N 3.46Å; H156-C159 PolarHBondContact O-N 3.11Å; H156-E160 PolarHBondContact O-N 3.28Å; H156-A179 PolarHBondContact CE1-O 3.12Å; H156-L185 PolarHBondContact NE2-O 2.94Å; H156-L185 VanDerWaalsContact NE2-O 3.11Å; H156-P187 VanDerWaalsContact NE2-CD 3.33Å; H156-P187 WeakPolarHBondContact NE2-CD 3.21Å
157E92.6Very high91.4Very high63 Ų6329.9 Ų29.929%0.29417%0.172SC..Hα-helixtrans-56.3-43.8177.9-160.976.4-165.500112.4T153 C159 E160 S161T153-E157 PolarHBondContact O-N 2.94Å; E157-C159 VanDerWaalsContact C-N 3.32Å; E157-C159 PolarHBondContact O-N 3.39Å; E157-E160 PolarHBondContact O-N 3.4Å; E157-S161 VanDerWaalsContact O-CB 3.28Å; E157-S161 WeakPolarHBondContact O-CB 3.5Å; E157-S161 PolarHBondContact O-N 3.39Å; E157-S161 PolarHBondContact O-OG 3.3Å
158A95.6Very high92Very high0 Ų031.1 Ų31.10%018%0.176CC..Hα-helixtrans-63.2-38.1176.700000112.1A127 A154 H156 C162 Q163 C166 A167 L170A127-A158 HydrophobicContact CB-CB 4.22Å; A154-A158 PolarHBondContact O-N 2.96Å; H156-A158 VanDerWaalsContact C-N 3.32Å; H156-A158 PolarHBondContact O-N 3.46Å; A158-C162 PolarHBondContact O-N 3.17Å; A158-Q163 PolarHBondContact O-N 3.05Å; A158-C166 HydrophobicContact CB-CB 4.2Å; A158-A167 HydrophobicContact CB-CB 4.05Å; A158-L170 HydrophobicContact CB-CD1 4.18Å
159C96.1Very high92.5Very high0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-72.9-42.7179.4-650000111.6L155 H156 E157 C162L155-C159 PolarHBondContact O-N 3.38Å; L155-C159 VanDerWaalsContact O-N 3.15Å; L155-C159 PolarHBondContact O-SG 3.27Å; H156-C159 PolarHBondContact O-N 3.11Å; E157-C159 VanDerWaalsContact C-N 3.32Å; E157-C159 PolarHBondContact O-N 3.39Å; C159-C162 PolarHBondContact O-N 2.89Å
160E94Very high93.5Very high120 Ų12028.4 Ų28.456%0.56116%0.155SC*.Hα-helixtrans-60.6-47.6176.1-163.3169.1-176.300111.7H156 E157 C162 V190H156-E160 PolarHBondContact O-N 3.28Å; E157-E160 PolarHBondContact O-N 3.4Å; E160-C162 PolarHBondContact O-N 3.44Å; E160-C162 PolarHBondContact O-SG 3.38Å; E160-V190 HydrophobicContact CB-CG1 3.43Å; E160-V190 VanDerWaalsContact CB-CG1 3.43Å; E160-V190 HydrophobicContact CG-CG1 3.71Å
161S93.9Very high94.6Very high43 Ų4327.5 Ų27.530%0.30114%0.144SC..THydrogen-bonded Turntrans-80.57.1179-58.50000113.6G128 E157 Q163G128-S161 WeakPolarHBondContact O-CB 3.4Å; G128-S161 PolarHBondContact O-OG 3.33Å; E157-S161 VanDerWaalsContact O-CB 3.28Å; E157-S161 WeakPolarHBondContact O-CB 3.5Å; E157-S161 PolarHBondContact O-N 3.39Å; E157-S161 PolarHBondContact O-OG 3.3Å; S161-Q163 VanDerWaalsContact C-N 3.27Å; S161-Q163 WeakPolarHBondContact O-CG 3.3Å; S161-Q163 PolarHBondContact O-N 2.64Å; S161-Q163 PolarHBondContact O-NE2 3.21Å
162C95.6Very high95.2Very high26 Ų2631.4 Ų31.418%0.17616%0.162CC..THydrogen-bonded Turntrans60.229.1175.6-51.70000114.8A158 C159 E160 A164 S193 E195A158-C162 PolarHBondContact O-N 3.17Å; C159-C162 PolarHBondContact O-N 2.89Å; E160-C162 PolarHBondContact O-N 3.44Å; E160-C162 PolarHBondContact O-SG 3.38Å; C162-A164 PolarHBondContact O-N 2.79Å; C162-S193 PolarHBondContact SG-OG 3.12Å; C162-E195 HydrophobicContact CB-CB 3.78Å
163Q96.6Very high95.5Very high65 Ų6533.6 Ų33.630%0.30417%0.166SC..  trans-90.776.1-177-57.2-56.2-33.300111.6A127 G128 G130 A158 S161 E165 C166 A167A127-Q163 WeakPolarHBondContact O-CB 3.3Å; A127-Q163 WeakPolarHBondContact O-CG 3.19Å; G128-Q163 WeakPolarHBondContact O-CG 3.17Å; G130-Q163 VanDerWaalsContact CA-OE1 3.24Å; A158-Q163 PolarHBondContact O-N 3.05Å; S161-Q163 VanDerWaalsContact C-N 3.27Å; S161-Q163 WeakPolarHBondContact O-CG 3.3Å; S161-Q163 PolarHBondContact O-N 2.64Å; S161-Q163 PolarHBondContact O-NE2 3.21Å; Q163-E165 VanDerWaalsContact C-N 3.35Å; Q163-E165 PolarHBondContact O-N 3.22Å; Q163-C166 HydrophobicContact CB-CB 3.9Å; Q163-C166 WeakPolarHBondContact O-CB 3.44Å; Q163-C166 PolarHBondContact O-N 3.18Å; Q163-C166 VanDerWaalsContact O-N 3.12Å; Q163-A167 PolarHBondContact O-N 2.93Å
164A96.2Very high95.6Very high16 Ų1635.8 Ų35.813%0.13219%0.19CC..Hα-helixtrans-57.9-40-17300000114.3C162 A167 K168 E198 C199 Y202C162-A164 PolarHBondContact O-N 2.79Å; A164-A167 PolarHBondContact O-N 3.25Å; A164-K168 WeakPolarHBondContact O-CB 3.38Å; A164-K168 PolarHBondContact O-N 3.2Å; A164-E198 HydrophobicContact CB-CB 3.66Å; A164-C199 WeakPolarHBondContact CA-SG 3.27Å; A164-Y202 HydrophobicContact CB-CD2 4.4Å; A164-Y202 HydrophobicContact CB-CE2 4.17Å
165E97.1Very high95.6Very high97 Ų9736.2 Ų36.245%0.45319%0.194SC..Hα-helixtrans-70.6-34178.9-66.6-55.3125.300112.5V132 Q163 L169 Y202V132-E165 HydrophobicContact CG2-CB 3.89Å; Q163-E165 VanDerWaalsContact C-N 3.35Å; Q163-E165 PolarHBondContact O-N 3.22Å; E165-L169 WeakPolarHBondContact O-CB 3.45Å; E165-L169 PolarHBondContact O-N 3.1Å; E165-Y202 PolarHBondContact OE1-OH 3.29Å
166C96.4Very high95.6Very high1 Ų139.8 Ų39.81%0.00721%0.212CC..Hα-helixtrans-65.9-47.2171.2-71.20000111.1L135 A158 Q163 K168 L169 L170L135-C166 HydrophobicContact CD2-CB 3.6Å; A158-C166 HydrophobicContact CB-CB 4.2Å; Q163-C166 HydrophobicContact CB-CB 3.9Å; Q163-C166 WeakPolarHBondContact O-CB 3.44Å; Q163-C166 PolarHBondContact O-N 3.18Å; Q163-C166 VanDerWaalsContact O-N 3.12Å; C166-K168 VanDerWaalsContact C-N 3.34Å; C166-K168 PolarHBondContact O-N 3.47Å; C166-L169 PolarHBondContact O-N 3.01Å; C166-L170 WeakPolarHBondContact O-CG 3.33Å; C166-L170 PolarHBondContact O-N 3.16Å
167A96.9Very high95.6Very high0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-58.3-46.3177.700000111.3L155 A158 Q163 A164 L169 L170 L171L155-A167 HydrophobicContact CD1-CB 4.03Å; A158-A167 HydrophobicContact CB-CB 4.05Å; Q163-A167 PolarHBondContact O-N 2.93Å; A164-A167 PolarHBondContact O-N 3.25Å; A167-L169 PolarHBondContact O-N 3.12Å; A167-L170 PolarHBondContact O-N 3.26Å; A167-L171 VanDerWaalsContact O-CG 3.26Å; A167-L171 WeakPolarHBondContact O-CG 3.45Å; A167-L171 PolarHBondContact O-N 2.83Å
168K97.6Very high95.7Very high63 Ų6338.9 Ų38.927%0.27421%0.211SC..Hα-helixtrans-57.8-46.2174.8-172.3-167.8-164.3162.20112.3A164 C166 L171 I172 Y202A164-K168 WeakPolarHBondContact O-CB 3.38Å; A164-K168 PolarHBondContact O-N 3.2Å; C166-K168 VanDerWaalsContact C-N 3.34Å; C166-K168 PolarHBondContact O-N 3.47Å; K168-L171 PolarHBondContact O-N 3.32Å; K168-I172 HydrophobicContact CG-CD1 4.06Å; K168-I172 VanDerWaalsContact O-CG1 3.29Å; K168-I172 WeakPolarHBondContact O-CG1 3.31Å; K168-I172 PolarHBondContact O-N 3.02Å; K168-Y202 HydrophobicContact CB-CD1 4.39Å; K168-Y202 HydrophobicContact CB-CD2 3.74Å; K168-Y202 HydrophobicContact CB-CE1 4.43Å; K168-Y202 HydrophobicContact CB-CE2 3.78Å; K168-Y202 HydrophobicContact CB-CG 4.06Å; K168-Y202 HydrophobicContact CD-CD1 4.4Å; K168-Y202 HydrophobicContact CD-CE1 3.76Å; K168-Y202 HydrophobicContact CD-CE2 3.97Å; K168-Y202 WeakPolarHBondContact CD-OH 3.31Å; K168-Y202 HydrophobicContact CG-CD1 4.04Å; K168-Y202 HydrophobicContact CG-CD2 4.25Å; K168-Y202 HydrophobicContact CG-CE1 3.91Å; K168-Y202 HydrophobicContact CG-CE2 4.12Å; K168-Y202 HydrophobicContact CG-CG 4.22Å; K168-Y202 PolarHBondContact NZ-OH 2.85Å
169L96.8Very high95.6Very high8 Ų839.3 Ų39.34%0.04221%0.214CC..Hα-helixtrans-63.2-44.2-179.8-171.367.5000111.3V132 L135 R136 L139 E165 C166 A167 L171 I172 Y173V132-L169 HydrophobicContact CG1-CD2 4.39Å; L135-L169 HydrophobicContact CB-CD2 4.35Å; L135-L169 HydrophobicContact CD2-CB 4.48Å; L135-L169 HydrophobicContact CD2-CD2 4.09Å; L135-L169 HydrophobicContact CG-CD2 4.2Å; R136-L169 HydrophobicContact CB-CD2 3.77Å; R136-L169 HydrophobicContact CG-CD2 4.45Å; L139-L169 HydrophobicContact CD1-CD2 3.93Å; L139-L169 HydrophobicContact CD1-CG 3.84Å; E165-L169 WeakPolarHBondContact O-CB 3.45Å; E165-L169 PolarHBondContact O-N 3.1Å; C166-L169 PolarHBondContact O-N 3.01Å; A167-L169 PolarHBondContact O-N 3.12Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 2.95Å; L169-I172 PolarHBondContact O-N 3Å; L169-Y173 HydrophobicContact CD1-CD2 4.06Å; L169-Y173 HydrophobicContact CD1-CE2 3.76Å; L169-Y173 HydrophobicContact CG-CD2 4.24Å; L169-Y173 HydrophobicContact CG-CE2 4.28Å; L169-Y173 WeakPolarHBondContact O-CD2 3.3Å; L169-Y173 PolarHBondContact O-N 2.88Å; L169-Y173 VanDerWaalsContact O-N 3.09Å
170L96.3Very high95.4Very high0 Ų042.9 Ų42.90%024%0.236CC..Hα-helixtrans-58.9-44.7176-70.3166.7000111.3L123 A127 L135 L139 V145 A154 L155 A158 C166 A167 I172 Y173 G174 A175L123-L170 HydrophobicContact CD1-CD2 4.4Å; L123-L170 HydrophobicContact CD2-CD2 3.82Å; L123-L170 HydrophobicContact CG-CD2 4.11Å; A127-L170 HydrophobicContact CB-CD1 4.08Å; L135-L170 HydrophobicContact CD1-CD2 4.24Å; L135-L170 HydrophobicContact CD2-CD2 4.47Å; L135-L170 HydrophobicContact CD2-CG 4.14Å; L139-L170 HydrophobicContact CD1-CD2 4.39Å; L139-L170 HydrophobicContact CD2-CD2 4.38Å; V145-L170 HydrophobicContact CG1-CB 4.38Å; V145-L170 HydrophobicContact CG1-CD2 3.87Å; A154-L170 HydrophobicContact CB-CD1 4.12Å; A154-L170 HydrophobicContact CB-CD2 4.26Å; L155-L170 HydrophobicContact CB-CD1 4.4Å; L155-L170 HydrophobicContact CD1-CB 4.29Å; L155-L170 HydrophobicContact CD1-CD1 4.47Å; A158-L170 HydrophobicContact CB-CD1 4.18Å; C166-L170 WeakPolarHBondContact O-CG 3.33Å; C166-L170 PolarHBondContact O-N 3.16Å; A167-L170 PolarHBondContact O-N 3.26Å; L170-I172 PolarHBondContact O-N 3.02Å; L170-Y173 CarbonylContact O-C 3.53Å; L170-Y173 PolarHBondContact O-N 2.94Å; L170-G174 PolarHBondContact O-N 3.49Å; L170-A175 HydrophobicContact CB-CB 4.01Å; L170-A175 VanDerWaalsContact O-CB 3.22Å; L170-A175 WeakPolarHBondContact O-CB 3.44Å; L170-A175 PolarHBondContact O-N 3.5Å
171L96.8Very high95.1Very high8 Ų837.4 Ų37.44%0.04221%0.211CC..Hα-helixtrans-63.6-39.9177.3-68.7166000112.7L155 A167 K168 L169 Y173 G174 A175 A177 L203 Y206L155-L171 HydrophobicContact CD1-CD1 4.5Å; L155-L171 HydrophobicContact CD1-CD2 4.31Å; L155-L171 HydrophobicContact CD1-CG 4.07Å; L155-L171 HydrophobicContact CD2-CD2 3.78Å; L155-L171 HydrophobicContact CD2-CG 4.43Å; A167-L171 VanDerWaalsContact O-CG 3.26Å; A167-L171 WeakPolarHBondContact O-CG 3.45Å; A167-L171 PolarHBondContact O-N 2.83Å; K168-L171 PolarHBondContact O-N 3.32Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 2.95Å; L171-Y173 VanDerWaalsContact C-N 3.26Å; L171-Y173 PolarHBondContact O-N 3.34Å; L171-G174 PolarHBondContact O-N 3.44Å; L171-A175 HydrophobicContact CD2-CB 4.47Å; L171-A177 HydrophobicContact CD2-CB 3.83Å; L171-L203 HydrophobicContact CD1-CD2 4.21Å; L171-L203 HydrophobicContact CD2-CD2 4.28Å; L171-Y206 HydrophobicContact CB-CD1 3.92Å; L171-Y206 HydrophobicContact CB-CD2 3.88Å; L171-Y206 HydrophobicContact CB-CE1 4.28Å; L171-Y206 HydrophobicContact CB-CE2 4.25Å; L171-Y206 HydrophobicContact CB-CG 3.72Å; L171-Y206 HydrophobicContact CD1-CD2 3.86Å; L171-Y206 HydrophobicContact CD1-CG 4.17Å; L171-Y206 HydrophobicContact CD2-CG 4.43Å; L171-Y206 HydrophobicContact CG-CD2 4.42Å; L171-Y206 HydrophobicContact CG-CG 4.33Å
172I96.7Very high94.7Very high91 Ų9139.7 Ų39.747%0.46722%0.217SC..Hα-helixtrans-60.6-38174.3-70.9165.1000111.3K168 L169 L170 G174 Y206K168-I172 HydrophobicContact CG-CD1 4.06Å; K168-I172 VanDerWaalsContact O-CG1 3.29Å; K168-I172 WeakPolarHBondContact O-CG1 3.31Å; K168-I172 PolarHBondContact O-N 3.02Å; L169-I172 PolarHBondContact O-N 3Å; L170-I172 PolarHBondContact O-N 3.02Å; I172-G174 PolarHBondContact O-N 2.88Å; I172-Y206 HydrophobicContact CG1-CE1 4.31Å; I172-Y206 WeakPolarHBondContact CG1-OH 3.41Å
173Y94.9Very high94Very high91 Ų9142.3 Ų42.336%0.35723%0.229SC..THydrogen-bonded Turntrans-829.6177.4-82.4-99.5000113.4L139 L169 L170 L171L139-Y173 HydrophobicContact CB-CD1 3.81Å; L139-Y173 HydrophobicContact CB-CD2 4.4Å; L139-Y173 HydrophobicContact CB-CE1 3.78Å; L139-Y173 HydrophobicContact CB-CE2 4.38Å; L139-Y173 HydrophobicContact CB-CG 4.11Å; L139-Y173 HydrophobicContact CD1-CD1 4.5Å; L139-Y173 HydrophobicContact CD1-CD2 3.83Å; L139-Y173 HydrophobicContact CD1-CE2 4.26Å; L139-Y173 HydrophobicContact CD1-CG 3.95Å; L139-Y173 HydrophobicContact CD2-CD1 4.44Å; L139-Y173 HydrophobicContact CD2-CG 4.31Å; L139-Y173 HydrophobicContact CG-CD1 4.48Å; L139-Y173 HydrophobicContact CG-CG 4.36Å; L169-Y173 HydrophobicContact CD1-CD2 4.06Å; L169-Y173 HydrophobicContact CD1-CE2 3.76Å; L169-Y173 HydrophobicContact CG-CD2 4.24Å; L169-Y173 HydrophobicContact CG-CE2 4.28Å; L169-Y173 WeakPolarHBondContact O-CD2 3.3Å; L169-Y173 PolarHBondContact O-N 2.88Å; L169-Y173 VanDerWaalsContact O-N 3.09Å; L170-Y173 CarbonylContact O-C 3.53Å; L170-Y173 PolarHBondContact O-N 2.94Å; L171-Y173 VanDerWaalsContact C-N 3.26Å; L171-Y173 PolarHBondContact O-N 3.34Å
174G93.1Very high93.6Very high53 Ų5339.2 Ų39.255%0.54622%0.215SC..THydrogen-bonded Turntrans89.621.6171.200000115L170 L171 I172 N176L170-G174 PolarHBondContact O-N 3.49Å; L171-G174 PolarHBondContact O-N 3.44Å; I172-G174 PolarHBondContact O-N 2.88Å; G174-N176 PolarHBondContact O-N 3.02Å
175A94.9Very high93.4Very high10 Ų1040.8 Ų40.88%0.08322%0.221CC..  trans-54.3136.9170.700000111V145 D146 L155 L170 L171 A177V145-A175 HydrophobicContact CG1-CB 3.47Å; V145-A175 VanDerWaalsContact CG1-CB 3.47Å; D146-A175 WeakPolarHBondContact OD1-CA 3.36Å; L155-A175 HydrophobicContact CB-CB 4.44Å; L155-A175 HydrophobicContact CD2-CB 4.02Å; L170-A175 HydrophobicContact CB-CB 4.01Å; L170-A175 VanDerWaalsContact O-CB 3.22Å; L170-A175 WeakPolarHBondContact O-CB 3.44Å; L170-A175 PolarHBondContact O-N 3.5Å; L171-A175 HydrophobicContact CD2-CB 4.47Å; A175-A177 PolarHBondContact O-N 2.85Å; A175-A177 VanDerWaalsContact O-N 3.09Å
176N94.5Very high93.4Very high75 Ų7537 Ų3740%0.40120%0.203SC..  trans-71.3106.4174.2-178.78.2000110.7D146 G174 N178 A179D146-N176 PolarHBondContact OD1-N 3.45Å; G174-N176 PolarHBondContact O-N 3.02Å; N176-N178 PolarHBondContact O-N 3.49Å; N176-N178 WeakPolarHBondContact OD1-CA 3.46Å; N176-N178 PolarHBondContact OD1-N 3.3Å; N176-A179 HydrophobicContact CB-CB 4.26Å; N176-A179 PolarHBondContact ND2-N 3.18Å; N176-A179 WeakPolarHBondContact O-CB 3.29Å; N176-A179 PolarHBondContact O-N 3.33Å
177A95.3Very high93.3Very high6 Ų637 Ų375%0.0520%0.203CC..THydrogen-bonded Turntrans-60.9-14.6176.500000114L171 A175 P187 L203 A208L171-A177 HydrophobicContact CD2-CB 3.83Å; A175-A177 PolarHBondContact O-N 2.85Å; A175-A177 VanDerWaalsContact O-N 3.09Å; A177-P187 WeakPolarHBondContact O-CD 3.38Å; A177-L203 HydrophobicContact CB-CD2 4.4Å; A177-A208 HydrophobicContact CB-CB 4.14Å
178N94.7Very high93.3Very high44 Ų4437.2 Ų37.224%0.23520%0.204CC..THydrogen-bonded Turntrans-114.820.3179.3-60.8-52000112.5N176 M186 G207 A208 T209N176-N178 PolarHBondContact O-N 3.49Å; N176-N178 WeakPolarHBondContact OD1-CA 3.46Å; N176-N178 PolarHBondContact OD1-N 3.3Å; N178-M186 VanDerWaalsContact CA-CE 3.47Å; N178-M186 HydrophobicContact CB-CE 3.42Å; N178-M186 VanDerWaalsContact CB-CE 3.42Å; N178-M186 WeakPolarHBondContact OD1-CE 3.46Å; N178-G207 PolarHBondContact ND2-O 2.69Å; N178-A208 VanDerWaalsContact OD1-CA 3.31Å; N178-A208 WeakPolarHBondContact OD1-CA 3.32Å; N178-T209 PolarHBondContact OD1-N 2.73Å; N178-T209 PolarHBondContact OD1-OG1 3.24Å
179A92.8Very high93.2Very high9 Ų934.3 Ų34.37%0.07419%0.192CC..  trans-55.8146171.800000110T153 H156 N176 M186 P187T153-A179 HydrophobicContact CG2-CB 3.79Å; H156-A179 PolarHBondContact CE1-O 3.12Å; N176-A179 HydrophobicContact CB-CB 4.26Å; N176-A179 PolarHBondContact ND2-N 3.18Å; N176-A179 WeakPolarHBondContact O-CB 3.29Å; N176-A179 PolarHBondContact O-N 3.33Å; A179-M186 WeakPolarHBondContact O-CA 3.41Å; A179-P187 VanDerWaalsContact O-CD 3.27Å; A179-P187 WeakPolarHBondContact O-CD 3.49Å
180V91.6Very high93Very high74 Ų7434.7 Ų34.745%0.44820%0.195SC..  trans-111.3125.7179.2-178.30000107.8L185 M186 L215V180-L185 CarbonylContact C-O 3.5Å; V180-L185 WeakPolarHBondContact CA-O 3.48Å; V180-M186 HydrophobicContact CG2-CG 4.46Å; V180-L215 HydrophobicContact CG1-CD1 4.19Å
181S89.2Confident93Very high6 Ų634.8 Ų34.84%0.04220%0.195CC..  trans-71173.417674.40000112.1G151 D183 G184 L185G151-S181 CarbonylContact O-C 3.52Å; G151-S181 VanDerWaalsContact O-CA 3.3Å; G151-S181 WeakPolarHBondContact O-CA 3.25Å; S181-D183 PolarHBondContact O-N 3.16Å; S181-D183 PolarHBondContact OG-N 3.05Å; S181-G184 PolarHBondContact O-N 3.08Å; S181-L185 PolarHBondContact N-O 3.48Å; S181-L185 WeakPolarHBondContact OG-CB 3.43Å; S181-L185 PolarHBondContact OG-N 3.44Å; S181-L185 PolarHBondContact OG-O 3.04Å
182E85.2Confident92.9Very high91 Ų9137 Ų3743%0.42521%0.209SC..THydrogen-bonded Turntrans-58-37.1172.2-169.9-178.2154.700112.1K44 G151 G184K44-E182 WeakPolarHBondContact CE-OE1 3.49Å; K44-E182 IonicContact NZ-OE1 3.15Å; K44-E182 PolarHBondContact NZ-OE1 3.36Å; G151-E182 PolarHBondContact O-N 3.25Å; E182-G184 PolarHBondContact O-N 3.44Å
183D81.4Confident92.7Very high80 Ų8034.3 Ų34.343%0.42820%0.198SC..THydrogen-bonded Turntrans-77.96.8176.5-52.1-51000113.2S181 L185S181-D183 PolarHBondContact O-N 3.16Å; S181-D183 PolarHBondContact OG-N 3.05Å; D183-L185 HydrophobicContact CB-CD1 4.38Å; D183-L185 HydrophobicContact CB-CG 4.13Å; D183-L185 PolarHBondContact O-N 2.95Å
184G87.8Confident92.7Very high1 Ų133.9 Ų33.91%0.0121%0.209CC..SBendtrans7120.5179.700000114.2S181 E182 T214 L215S181-G184 PolarHBondContact O-N 3.08Å; E182-G184 PolarHBondContact O-N 3.44Å; G184-T214 WeakPolarHBondContact O-CA 3.31Å; G184-L215 PolarHBondContact O-N 3.29Å
185L92.4Very high92.7Very high48 Ų4838.4 Ų38.425%0.25122%0.216SC..  trans-91.3148.4177.1-55.3-179.9000109.8H156 V180 S181 D183 H189 V190 T214H156-L185 PolarHBondContact NE2-O 2.94Å; H156-L185 VanDerWaalsContact NE2-O 3.11Å; V180-L185 CarbonylContact C-O 3.5Å; V180-L185 WeakPolarHBondContact CA-O 3.48Å; S181-L185 PolarHBondContact N-O 3.48Å; S181-L185 WeakPolarHBondContact OG-CB 3.43Å; S181-L185 PolarHBondContact OG-N 3.44Å; S181-L185 PolarHBondContact OG-O 3.04Å; D183-L185 HydrophobicContact CB-CD1 4.38Å; D183-L185 HydrophobicContact CB-CG 4.13Å; D183-L185 PolarHBondContact O-N 2.95Å; L185-H189 HydrophobicContact CB-CB 4.27Å; L185-H189 HydrophobicContact CD2-CB 4.29Å; L185-V190 HydrophobicContact CB-CG2 4.18Å; L185-V190 HydrophobicContact CD1-CG2 4.22Å; L185-T214 HydrophobicContact CD2-CG2 3.33Å
186M95.2Very high92.8Very high18 Ų1838 Ų389%0.08921%0.212CC..  trans-101.5160.6168.3-46.8172.967.800108.9N178 A179 V180 L188 H189 T209N178-M186 VanDerWaalsContact CA-CE 3.47Å; N178-M186 HydrophobicContact CB-CE 3.42Å; N178-M186 VanDerWaalsContact CB-CE 3.42Å; N178-M186 WeakPolarHBondContact OD1-CE 3.46Å; A179-M186 WeakPolarHBondContact O-CA 3.41Å; V180-M186 HydrophobicContact CG2-CG 4.46Å; M186-L188 PolarHBondContact O-N 2.9Å; M186-H189 VanDerWaalsContact CB-ND1 3.28Å; M186-H189 WeakPolarHBondContact CB-ND1 3.44Å; M186-H189 PolarHBondContact N-ND1 3.26Å; M186-H189 VanDerWaalsContact O-CB 3.3Å; M186-H189 WeakPolarHBondContact O-CB 3.49Å; M186-H189 PolarHBondContact O-N 2.75Å; M186-H189 PolarHBondContact O-ND1 2.92Å; M186-T209 WeakPolarHBondContact CE-OG1 3.2Å
187P95.5Very high92.9Very high0 Ų036.9 Ų36.90%020%0.204CC..G310 helixtrans-53.9-33.8-176.1-29.635.5000114.1L155 H156 A177 A179 H189 V190 L203L155-P187 HydrophobicContact CD2-CB 4.21Å; L155-P187 HydrophobicContact CD2-CG 3.83Å; L155-P187 HydrophobicContact CG-CB 4.16Å; L155-P187 HydrophobicContact CG-CG 4.1Å; H156-P187 VanDerWaalsContact NE2-CD 3.33Å; H156-P187 WeakPolarHBondContact NE2-CD 3.21Å; A177-P187 WeakPolarHBondContact O-CD 3.38Å; A179-P187 VanDerWaalsContact O-CD 3.27Å; A179-P187 WeakPolarHBondContact O-CD 3.49Å; P187-H189 VanDerWaalsContact C-N 3.29Å; P187-H189 PolarHBondContact O-N 2.65Å; P187-V190 PolarHBondContact O-N 3.44Å; P187-L203 HydrophobicContact CB-CD1 3.78Å; P187-L203 HydrophobicContact CB-CD2 3.64Å; P187-L203 HydrophobicContact CB-CG 4.39Å; P187-L203 HydrophobicContact CG-CD2 4.42Å
188L96.4Very high93Very high5 Ų539.9 Ų39.93%0.02622%0.216CC..G310 helixtrans-68.1-27.4178.8-160.564.2000113.2M186 V190 A200 L203 L204 I210 P221 Y237M186-L188 PolarHBondContact O-N 2.9Å; L188-V190 VanDerWaalsContact C-N 3.32Å; L188-A200 HydrophobicContact CD1-CB 3.88Å; L188-L203 HydrophobicContact CB-CD1 4.26Å; L188-L203 HydrophobicContact CD1-CB 4.09Å; L188-L203 HydrophobicContact CD1-CD1 3.92Å; L188-L204 HydrophobicContact CD1-CG 4.36Å; L188-L204 HydrophobicContact CD2-CD2 3.9Å; L188-L204 HydrophobicContact CD2-CG 4.41Å; L188-I210 HydrophobicContact CD2-CD1 4.03Å; L188-P221 HydrophobicContact CB-CG 4.28Å; L188-P221 HydrophobicContact CD2-CB 3.85Å; L188-P221 HydrophobicContact CD2-CG 3.73Å; L188-P221 HydrophobicContact CG-CB 3.95Å; L188-P221 HydrophobicContact CG-CG 4.08Å; L188-Y237 HydrophobicContact CD1-CE1 3.82Å; L188-Y237 WeakPolarHBondContact CD1-OH 3.29Å; L188-Y237 HydrophobicContact CD2-CE1 4.3Å; L188-Y237 HydrophobicContact CG-CE1 4.2Å
189H95.3Very high93.1Very high3 Ų337.8 Ų37.81%0.01421%0.205CC..G310 helixtrans-73.4-25.6176.7-60.5104.5000112.5L185 M186 P187 C191 G212 T214 D219 P221 I224L185-H189 HydrophobicContact CB-CB 4.27Å; L185-H189 HydrophobicContact CD2-CB 4.29Å; M186-H189 VanDerWaalsContact CB-ND1 3.28Å; M186-H189 WeakPolarHBondContact CB-ND1 3.44Å; M186-H189 PolarHBondContact N-ND1 3.26Å; M186-H189 VanDerWaalsContact O-CB 3.3Å; M186-H189 WeakPolarHBondContact O-CB 3.49Å; M186-H189 PolarHBondContact O-N 2.75Å; M186-H189 PolarHBondContact O-ND1 2.92Å; P187-H189 VanDerWaalsContact C-N 3.29Å; P187-H189 PolarHBondContact O-N 2.65Å; H189-C191 VanDerWaalsContact C-N 3.29Å; H189-G212 PolarHBondContact NE2-O 2.85Å; H189-T214 HydrophobicContact CB-CG2 4.33Å; H189-D219 PolarHBondContact NE2-O 2.95Å; H189-P221 WeakPolarHBondContact NE2-CD 3.35Å; H189-I224 HydrophobicContact CB-CD1 3.53Å
190V94.3Very high93.3Very high16 Ų1637.3 Ų37.310%0.09720%0.202CC..SBendtrans-83.4-8.7-178.1-1700000112E160 L185 P187 L188 T192E160-V190 HydrophobicContact CB-CG1 3.43Å; E160-V190 VanDerWaalsContact CB-CG1 3.43Å; E160-V190 HydrophobicContact CG-CG1 3.71Å; L185-V190 HydrophobicContact CB-CG2 4.18Å; L185-V190 HydrophobicContact CD1-CG2 4.22Å; P187-V190 PolarHBondContact O-N 3.44Å; L188-V190 VanDerWaalsContact C-N 3.32Å; V190-T192 VanDerWaalsContact C-N 3.29Å; V190-T192 PolarHBondContact O-N 3.36Å
191C95.5Very high93.6Very high1 Ų137.2 Ų37.21%0.00720%0.195CC..  trans-74.674.6174.1-64.20000111.6H189 S196 A200H189-C191 VanDerWaalsContact C-N 3.29Å; C191-S196 VanDerWaalsContact C-OG 3.28Å; C191-S196 VanDerWaalsContact CA-OG 3.29Å; C191-S196 WeakPolarHBondContact CA-OG 3.16Å; C191-S196 WeakPolarHBondContact CB-OG 3.28Å; C191-A200 HydrophobicContact CB-CB 4.29Å
192T94.1Very high94Very high56 Ų5638.1 Ų38.134%0.34420%0.198SC..  trans-101.6-3.2-171.859.70000114.8V190 I224V190-T192 VanDerWaalsContact C-N 3.29Å; V190-T192 PolarHBondContact O-N 3.36Å; T192-I224 HydrophobicContact CG2-CG2 3.88Å
193S93.7Very high94.6Very high34 Ų3433.8 Ų33.824%0.23818%0.178CC..SBendtrans-115.5160.8179.479.60000111.7C162 E195 S196 H233C162-S193 PolarHBondContact SG-OG 3.12Å; S193-E195 PolarHBondContact O-N 3.37Å; S193-E195 PolarHBondContact OG-N 3.35Å; S193-S196 PolarHBondContact O-N 3Å; S193-S196 PolarHBondContact O-OG 3.46Å; S193-S196 PolarHBondContact OG-N 2.88Å; S193-H233 PolarHBondContact O-CE1 2.86Å; S193-H233 PolarHBondContact O-NE2 3Å
194S93.3Very high95.3Very high82 Ų8230.8 Ų30.857%0.57316%0.161SC*.G310 helixtrans-62.8-30.8172.349.30000112.7S196 F197S194-S196 VanDerWaalsContact C-N 3.27Å; S194-S196 PolarHBondContact O-N 3.03Å; S194-F197 WeakPolarHBondContact O-CB 3.45Å; S194-F197 PolarHBondContact O-N 3.47Å
195E94.5Very high95.8Very high148 Ų14836.3 Ų36.369%0.69219%0.187SC*.G310 helixtrans-69.4-26.9-179.4-62.6174.8-178.700112C162 S193 F197C162-E195 HydrophobicContact CB-CB 3.78Å; S193-E195 PolarHBondContact O-N 3.37Å; S193-E195 PolarHBondContact OG-N 3.35Å; E195-F197 PolarHBondContact O-N 3.03Å; E195-F197 VanDerWaalsContact O-N 3.17Å
196S95.9Very high95.9Very high0 Ų038.8 Ų38.80%019%0.193CC..G310 helixtrans-73.12.4175.873.50000114.5C191 S193 S194 E198 C199 A200 H233C191-S196 VanDerWaalsContact C-OG 3.28Å; C191-S196 VanDerWaalsContact CA-OG 3.29Å; C191-S196 WeakPolarHBondContact CA-OG 3.16Å; C191-S196 WeakPolarHBondContact CB-OG 3.28Å; S193-S196 PolarHBondContact O-N 3Å; S193-S196 PolarHBondContact O-OG 3.46Å; S193-S196 PolarHBondContact OG-N 2.88Å; S194-S196 VanDerWaalsContact C-N 3.27Å; S194-S196 PolarHBondContact O-N 3.03Å; S196-E198 PolarHBondContact O-N 3.21Å; S196-C199 VanDerWaalsContact O-CB 3.3Å; S196-C199 WeakPolarHBondContact O-CB 3.4Å; S196-C199 PolarHBondContact O-N 3.16Å; S196-C199 VanDerWaalsContact O-N 3.11Å; S196-A200 PolarHBondContact O-N 2.66Å; S196-H233 PolarHBondContact OG-NE2 3.39Å
197F97.3Very high95.9Very high53 Ų5340.1 Ų40.123%0.23221%0.212CC..Hα-helixtrans-57.6-45.8-177.2178.1-103000113S194 E195 C199 A200 K201 D232 H233 L236S194-F197 WeakPolarHBondContact O-CB 3.45Å; S194-F197 PolarHBondContact O-N 3.47Å; E195-F197 PolarHBondContact O-N 3.03Å; E195-F197 VanDerWaalsContact O-N 3.17Å; F197-C199 VanDerWaalsContact C-N 3.32Å; F197-C199 PolarHBondContact O-N 2.95Å; F197-A200 PolarHBondContact O-N 2.92Å; F197-K201 PolarHBondContact O-N 2.82Å; F197-D232 HydrophobicContact CD2-CB 3.71Å; F197-D232 HydrophobicContact CE2-CB 3.72Å; F197-D232 WeakPolarHBondContact CE2-O 3.49Å; F197-D232 HydrophobicContact CG-CB 4.45Å; F197-D232 HydrophobicContact CZ-CB 4.47Å; F197-H233 WeakPolarHBondContact CA-CE1 3.01Å; F197-H233 WeakPolarHBondContact CA-NE2 3.39Å; F197-H233 AromaticContact CD2-ND1 3.85Å; F197-H233 PolarHBondContact N-CE1 3.14Å; F197-H233 PolarHBondContact N-NE2 3.43Å; F197-L236 HydrophobicContact CE2-CB 4.03Å; F197-L236 HydrophobicContact CE2-CD2 3.98Å; F197-L236 HydrophobicContact CZ-CD2 4.45Å
198E97.5Very high95.9Very high68 Ų6840.6 Ų40.632%0.31822%0.216SC..Hα-helixtrans-69.1-30.9178.1-68.5-61.8137.100111.7A164 S196 K201 Y202A164-E198 HydrophobicContact CB-CB 3.66Å; S196-E198 PolarHBondContact O-N 3.21Å; E198-K201 PolarHBondContact O-N 3.4Å; E198-K201 IonicContact OE1-NZ 3.61Å; E198-K201 PolarHBondContact OE1-NZ 3.21Å; E198-K201 WeakPolarHBondContact OE2-CD 3.48Å; E198-K201 IonicContact OE2-NZ 3.9Å; E198-K201 PolarHBondContact OE2-NZ 2.88Å; E198-Y202 WeakPolarHBondContact O-CD2 3.37Å; E198-Y202 PolarHBondContact O-N 3.25Å
199C96.9Very high95.8Very high0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-60.1-50.8170.4-60.10000110.6A164 S196 F197 K201 Y202 L203A164-C199 WeakPolarHBondContact CA-SG 3.27Å; S196-C199 VanDerWaalsContact O-CB 3.3Å; S196-C199 WeakPolarHBondContact O-CB 3.4Å; S196-C199 PolarHBondContact O-N 3.16Å; S196-C199 VanDerWaalsContact O-N 3.11Å; F197-C199 VanDerWaalsContact C-N 3.32Å; F197-C199 PolarHBondContact O-N 2.95Å; C199-K201 VanDerWaalsContact C-N 3.29Å; C199-K201 PolarHBondContact O-N 2.82Å; C199-Y202 PolarHBondContact O-N 3.03Å; C199-L203 WeakPolarHBondContact O-CG 3.24Å; C199-L203 PolarHBondContact O-N 3.02Å
200A97.4Very high95.8Very high0 Ų044.2 Ų44.20%024%0.238CC..Hα-helixtrans-59-40.1179.900000112.4L188 C191 S196 F197 L203 L204 L236 Y237L188-A200 HydrophobicContact CD1-CB 3.88Å; C191-A200 HydrophobicContact CB-CB 4.29Å; S196-A200 PolarHBondContact O-N 2.66Å; F197-A200 PolarHBondContact O-N 2.92Å; A200-L203 PolarHBondContact O-N 3.36Å; A200-L204 WeakPolarHBondContact O-CG 3.32Å; A200-L204 PolarHBondContact O-N 2.87Å; A200-L236 HydrophobicContact CB-CD2 4.36Å; A200-Y237 HydrophobicContact CB-CE1 4.04Å
201K97.7Very high95.8Very high71 Ų7146.5 Ų46.531%0.30925%0.249SC..Hα-helixtrans-63.8-45.9174.9-176.9-177.3171.9-167.60112.5F197 E198 C199 L204 Q205 L236F197-K201 PolarHBondContact O-N 2.82Å; E198-K201 PolarHBondContact O-N 3.4Å; E198-K201 IonicContact OE1-NZ 3.61Å; E198-K201 PolarHBondContact OE1-NZ 3.21Å; E198-K201 WeakPolarHBondContact OE2-CD 3.48Å; E198-K201 IonicContact OE2-NZ 3.9Å; E198-K201 PolarHBondContact OE2-NZ 2.88Å; C199-K201 VanDerWaalsContact C-N 3.29Å; C199-K201 PolarHBondContact O-N 2.82Å; K201-L204 PolarHBondContact O-N 3.22Å; K201-Q205 VanDerWaalsContact O-CG 3.28Å; K201-Q205 WeakPolarHBondContact O-CG 3.39Å; K201-Q205 PolarHBondContact O-N 3.33Å; K201-L236 HydrophobicContact CB-CD2 4.12Å
202Y97.7Very high95.6Very high26 Ų2647 Ų4710%0.10226%0.255CS..Hα-helixtrans-62.8-46174.7-69.8-47.8000111A164 E165 K168 E198 C199 L204 Q205 Y206A164-Y202 HydrophobicContact CB-CD2 4.4Å; A164-Y202 HydrophobicContact CB-CE2 4.17Å; E165-Y202 PolarHBondContact OE1-OH 3.29Å; K168-Y202 HydrophobicContact CB-CD1 4.39Å; K168-Y202 HydrophobicContact CB-CD2 3.74Å; K168-Y202 HydrophobicContact CB-CE1 4.43Å; K168-Y202 HydrophobicContact CB-CE2 3.78Å; K168-Y202 HydrophobicContact CB-CG 4.06Å; K168-Y202 HydrophobicContact CD-CD1 4.4Å; K168-Y202 HydrophobicContact CD-CE1 3.76Å; K168-Y202 HydrophobicContact CD-CE2 3.97Å; K168-Y202 WeakPolarHBondContact CD-OH 3.31Å; K168-Y202 HydrophobicContact CG-CD1 4.04Å; K168-Y202 HydrophobicContact CG-CD2 4.25Å; K168-Y202 HydrophobicContact CG-CE1 3.91Å; K168-Y202 HydrophobicContact CG-CE2 4.12Å; K168-Y202 HydrophobicContact CG-CG 4.22Å; K168-Y202 PolarHBondContact NZ-OH 2.85Å; E198-Y202 WeakPolarHBondContact O-CD2 3.37Å; E198-Y202 PolarHBondContact O-N 3.25Å; C199-Y202 PolarHBondContact O-N 3.03Å; Y202-L204 VanDerWaalsContact C-N 3.3Å; Y202-L204 PolarHBondContact O-N 3.08Å; Y202-Q205 WeakPolarHBondContact O-CB 3.09Å; Y202-Q205 PolarHBondContact O-N 2.71Å; Y202-Q205 VanDerWaalsContact O-N 3.08Å; Y202-Y206 VanDerWaalsContact O-CD2 3.27Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.46Å; Y202-Y206 PolarHBondContact O-N 3.08Å
203L97.4Very high95.5Very high0 Ų045.8 Ų45.80%025%0.248CC..Hα-helixtrans-52.8-47.4177-73.1172.8000112.3L155 L171 A177 P187 L188 C199 A200 Y206 G207 A208L155-L203 HydrophobicContact CD1-CD2 4.19Å; L155-L203 HydrophobicContact CD2-CD2 3.86Å; L155-L203 HydrophobicContact CG-CD2 4.2Å; L171-L203 HydrophobicContact CD1-CD2 4.21Å; L171-L203 HydrophobicContact CD2-CD2 4.28Å; A177-L203 HydrophobicContact CB-CD2 4.4Å; P187-L203 HydrophobicContact CB-CD1 3.78Å; P187-L203 HydrophobicContact CB-CD2 3.64Å; P187-L203 HydrophobicContact CB-CG 4.39Å; P187-L203 HydrophobicContact CG-CD2 4.42Å; L188-L203 HydrophobicContact CB-CD1 4.26Å; L188-L203 HydrophobicContact CD1-CB 4.09Å; L188-L203 HydrophobicContact CD1-CD1 3.92Å; C199-L203 WeakPolarHBondContact O-CG 3.24Å; C199-L203 PolarHBondContact O-N 3.02Å; A200-L203 PolarHBondContact O-N 3.36Å; L203-Y206 CarbonylContact O-C 3.59Å; L203-Y206 PolarHBondContact O-N 3.23Å; L203-G207 PolarHBondContact O-N 2.83Å; L203-A208 VanDerWaalsContact C-CB 3.48Å; L203-A208 HydrophobicContact CB-CB 3.87Å; L203-A208 WeakPolarHBondContact O-CB 3.44Å; L203-A208 PolarHBondContact O-N 3.11Å
204L96.8Very high95.4Very high16 Ų1644.5 Ų44.58%0.08424%0.239CC..Hα-helixtrans-66.5-37.3178.4-69.7169.4000112.9L188 A200 K201 Y202 Y206 G207 I210 L236 Y237 H240L188-L204 HydrophobicContact CD1-CG 4.36Å; L188-L204 HydrophobicContact CD2-CD2 3.9Å; L188-L204 HydrophobicContact CD2-CG 4.41Å; A200-L204 WeakPolarHBondContact O-CG 3.32Å; A200-L204 PolarHBondContact O-N 2.87Å; K201-L204 PolarHBondContact O-N 3.22Å; Y202-L204 VanDerWaalsContact C-N 3.3Å; Y202-L204 PolarHBondContact O-N 3.08Å; L204-Y206 VanDerWaalsContact C-N 3.28Å; L204-Y206 PolarHBondContact O-N 2.79Å; L204-G207 PolarHBondContact O-N 3.04Å; L204-I210 HydrophobicContact CD1-CD1 4.48Å; L204-I210 HydrophobicContact CD2-CB 4.2Å; L204-I210 HydrophobicContact CD2-CD1 3.89Å; L204-L236 HydrophobicContact CD1-CD1 4.45Å; L204-L236 HydrophobicContact CD1-CD2 3.87Å; L204-L236 HydrophobicContact CD1-CG 3.81Å; L204-Y237 HydrophobicContact CD1-CD1 3.87Å; L204-Y237 HydrophobicContact CD1-CE1 4Å; L204-H240 HydrophobicContact CD1-CB 4.39Å
205Q96.3Very high95.1Very high117 Ų11743.9 Ų43.955%0.54723%0.229SC..Hα-helixtrans-63.3-34174.9-74.2175.3-4.300112.7K201 Y202 G207K201-Q205 VanDerWaalsContact O-CG 3.28Å; K201-Q205 WeakPolarHBondContact O-CG 3.39Å; K201-Q205 PolarHBondContact O-N 3.33Å; Y202-Q205 WeakPolarHBondContact O-CB 3.09Å; Y202-Q205 PolarHBondContact O-N 2.71Å; Y202-Q205 VanDerWaalsContact O-N 3.08Å; Q205-G207 VanDerWaalsContact C-N 3.34Å
206Y96.4Very high94.6Very high100 Ų10040.3 Ų40.339%0.39222%0.215SC..THydrogen-bonded Turntrans-95.219.3179.4-72.5-93.3000113.2L171 I172 Y202 L203 L204L171-Y206 HydrophobicContact CB-CD1 3.92Å; L171-Y206 HydrophobicContact CB-CD2 3.88Å; L171-Y206 HydrophobicContact CB-CE1 4.28Å; L171-Y206 HydrophobicContact CB-CE2 4.25Å; L171-Y206 HydrophobicContact CB-CG 3.72Å; L171-Y206 HydrophobicContact CD1-CD2 3.86Å; L171-Y206 HydrophobicContact CD1-CG 4.17Å; L171-Y206 HydrophobicContact CD2-CG 4.43Å; L171-Y206 HydrophobicContact CG-CD2 4.42Å; L171-Y206 HydrophobicContact CG-CG 4.33Å; I172-Y206 HydrophobicContact CG1-CE1 4.31Å; I172-Y206 WeakPolarHBondContact CG1-OH 3.41Å; Y202-Y206 VanDerWaalsContact O-CD2 3.27Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.46Å; Y202-Y206 PolarHBondContact O-N 3.08Å; L203-Y206 CarbonylContact O-C 3.59Å; L203-Y206 PolarHBondContact O-N 3.23Å; L204-Y206 VanDerWaalsContact C-N 3.28Å; L204-Y206 PolarHBondContact O-N 2.79Å
207G93.6Very high94.1Very high46 Ų4643.5 Ų43.547%0.47423%0.23SC..THydrogen-bonded Turntrans88.324.816800000115.8N178 L203 L204 Q205N178-G207 PolarHBondContact ND2-O 2.69Å; L203-G207 PolarHBondContact O-N 2.83Å; L204-G207 PolarHBondContact O-N 3.04Å; Q205-G207 VanDerWaalsContact C-N 3.34Å
208A95.9Very high93.9Very high11 Ų1143.4 Ų43.49%0.09123%0.232CC..  trans-60.5136.6168.200000111.4A177 N178 L203 I210A177-A208 HydrophobicContact CB-CB 4.14Å; N178-A208 VanDerWaalsContact OD1-CA 3.31Å; N178-A208 WeakPolarHBondContact OD1-CA 3.32Å; L203-A208 VanDerWaalsContact C-CB 3.48Å; L203-A208 HydrophobicContact CB-CB 3.87Å; L203-A208 WeakPolarHBondContact O-CB 3.44Å; L203-A208 PolarHBondContact O-N 3.11Å; A208-I210 PolarHBondContact O-N 2.76Å
209T95.1Very high93.7Very high63 Ų6340.3 Ų40.339%0.38722%0.217SC..  trans-77.2112.7179.256.90000110.4N178 M186 N211 G212N178-T209 PolarHBondContact OD1-N 2.73Å; N178-T209 PolarHBondContact OD1-OG1 3.24Å; M186-T209 WeakPolarHBondContact CE-OG1 3.2Å; T209-N211 VanDerWaalsContact C-N 3.28Å; T209-N211 PolarHBondContact O-N 3.2Å; T209-G212 PolarHBondContact O-N 2.84Å
210I95.3Very high93.6Very high21 Ų2140.3 Ų40.311%0.10822%0.217CC..THydrogen-bonded Turntrans-65.4-28.2-176.6-171.659.5000114.2L188 L204 A208 P221 Y237 H240 A242L188-I210 HydrophobicContact CD2-CD1 4.03Å; L204-I210 HydrophobicContact CD1-CD1 4.48Å; L204-I210 HydrophobicContact CD2-CB 4.2Å; L204-I210 HydrophobicContact CD2-CD1 3.89Å; A208-I210 PolarHBondContact O-N 2.76Å; I210-P221 VanDerWaalsContact O-CD 3.3Å; I210-P221 WeakPolarHBondContact O-CD 3.12Å; I210-P221 WeakPolarHBondContact O-CG 3.33Å; I210-Y237 HydrophobicContact CD1-CD1 3.69Å; I210-Y237 HydrophobicContact CD1-CD2 4.42Å; I210-Y237 HydrophobicContact CD1-CE1 4.46Å; I210-Y237 HydrophobicContact CD1-CG 3.67Å; I210-H240 HydrophobicContact CG1-CB 4.42Å; I210-A242 HydrophobicContact CD1-CB 4.27Å; I210-A242 HydrophobicContact CG1-CB 3.73Å
211N94Very high93.6Very high63 Ų6340.4 Ų40.434%0.33722%0.218SC..THydrogen-bonded Turntrans-109.417.6-179.2-65.5-46.1000112.3T209 G241 A242 A243T209-N211 VanDerWaalsContact C-N 3.28Å; T209-N211 PolarHBondContact O-N 3.2Å; N211-G241 PolarHBondContact ND2-O 2.72Å; N211-A242 WeakPolarHBondContact OD1-CA 3.39Å; N211-A243 PolarHBondContact OD1-N 2.76Å
212G91.4Very high93.6Very high13 Ų1337 Ų3713%0.13420%0.203CC..  trans-60148.6168.100000109.6H189 T209 P221H189-G212 PolarHBondContact NE2-O 2.85Å; T209-G212 PolarHBondContact O-N 2.84Å; G212-P221 WeakPolarHBondContact O-CD 3.35Å
213C92Very high93.5Very high29 Ų2935.8 Ų35.820%0.19620%0.198CC..  trans-118.1148.1-177.9-64.30000110.9D218 D219 K246C213-D218 WeakPolarHBondContact CB-OD1 3.46Å; C213-D218 PolarHBondContact SG-OD1 3.45Å; C213-D219 WeakPolarHBondContact CA-O 3.42Å; C213-K246 VanDerWaalsContact SG-CE 3.58Å; C213-K246 PolarHBondContact SG-NZ 3.43Å
214T91Very high93.4Very high8 Ų836.6 Ų36.65%0.04920%0.202CC..  trans-63.8148.116766.30000110.7G184 L185 H189 D216 D218 D219 I224G184-T214 WeakPolarHBondContact O-CA 3.31Å; L185-T214 HydrophobicContact CD2-CG2 3.33Å; H189-T214 HydrophobicContact CB-CG2 4.33Å; T214-D216 VanDerWaalsContact C-N 3.29Å; T214-D216 PolarHBondContact O-N 3.28Å; T214-D218 VanDerWaalsContact O-CA 3.25Å; T214-D218 WeakPolarHBondContact O-CA 3.18Å; T214-D218 PolarHBondContact O-N 2.86Å; T214-D218 PolarHBondContact OG1-N 3.28Å; T214-D219 HydrophobicContact CG2-CB 4.11Å; T214-D219 WeakPolarHBondContact CG2-O 3.36Å; T214-D219 PolarHBondContact N-O 3.23Å; T214-D219 PolarHBondContact OG1-N 3.42Å; T214-I224 HydrophobicContact CG2-CD1 4.22Å
215L87.7Confident93.4Very high69 Ų6936 Ų3636%0.36120%0.199SC..THydrogen-bonded Turntrans-70.4-27.3-179.1-68.9177.3000113.6M47 V180 G184M47-L215 HydrophobicContact CE-CD1 3.34Å; M47-L215 HydrophobicContact SD-CD1 4.43Å; V180-L215 HydrophobicContact CG1-CD1 4.19Å; G184-L215 PolarHBondContact O-N 3.29Å
216D82.7Confident93.4Very high72 Ų7230.4 Ų30.439%0.38517%0.173SC..THydrogen-bonded Turntrans-86.1-59.8-169.7-66.65000111.3Y40 T214 N249Y40-D216 WeakPolarHBondContact CD2-OD1 3.17Å; Y40-D216 WeakPolarHBondContact CE2-OD1 3.39Å; T214-D216 VanDerWaalsContact C-N 3.29Å; T214-D216 PolarHBondContact O-N 3.28Å; D216-N249 PolarHBondContact O-ND2 2.89Å
217E86.4Confident93.3Very high68 Ų6827.9 Ų27.932%0.31816%0.163SC..THydrogen-bonded Turntrans-96.9-8.2-175.2-62.3-171.8164.300112.7D219 R227 N248 N249E217-D219 HydrophobicContact CB-CB 4.33Å; E217-D219 PolarHBondContact O-N 3.42Å; E217-R227 IonicContact OE2-CZ 3.51Å; E217-R227 IonicContact OE2-NH1 3.95Å; E217-R227 PolarHBondContact OE2-NH1 3.47Å; E217-R227 IonicContact OE2-NH2 3.8Å; E217-R227 PolarHBondContact OE2-NH2 3.39Å; E217-N248 WeakPolarHBondContact O-CB 3.36Å; E217-N249 VanDerWaalsContact O-CB 3.32Å; E217-N249 WeakPolarHBondContact O-CB 3.37Å; E217-N249 PolarHBondContact O-N 2.86Å
218D92.6Very high93.3Very high51 Ų5129 Ų2927%0.27316%0.156SC..  trans57.431.6-167.1-160.746.5000112.3C213 T214 A220 N249C213-D218 WeakPolarHBondContact CB-OD1 3.46Å; C213-D218 PolarHBondContact SG-OD1 3.45Å; T214-D218 VanDerWaalsContact O-CA 3.25Å; T214-D218 WeakPolarHBondContact O-CA 3.18Å; T214-D218 PolarHBondContact O-N 2.86Å; T214-D218 PolarHBondContact OG1-N 3.28Å; D218-A220 PolarHBondContact O-N 2.96Å; D218-N249 HydrophobicContact CB-CB 4.49Å; D218-N249 WeakPolarHBondContact CB-OD1 3.33Å
219D93.4Very high93.2Very high2 Ų228.6 Ų28.61%0.01115%0.153CC..  trans-76.7124.8-179.4-99.511.7000110.1H189 C213 T214 E217 H223 I224 R227 N248H189-D219 PolarHBondContact NE2-O 2.95Å; C213-D219 WeakPolarHBondContact CA-O 3.42Å; T214-D219 HydrophobicContact CG2-CB 4.11Å; T214-D219 WeakPolarHBondContact CG2-O 3.36Å; T214-D219 PolarHBondContact N-O 3.23Å; T214-D219 PolarHBondContact OG1-N 3.42Å; E217-D219 HydrophobicContact CB-CB 4.33Å; E217-D219 PolarHBondContact O-N 3.42Å; D219-H223 HydrophobicContact CB-CB 4.19Å; D219-H223 IonicContact OD1-CD2 3.4Å; D219-H223 IonicContact OD1-CG 3.91Å; D219-I224 HydrophobicContact CB-CG1 4.38Å; D219-R227 IonicContact OD1-NH2 3.38Å; D219-R227 IonicContact OD2-CZ 3.67Å; D219-R227 VanDerWaalsContact OD2-CZ 3.26Å; D219-R227 IonicContact OD2-NE 3.31Å; D219-R227 IonicContact OD2-NH1 3.43Å; D219-R227 IonicContact OD2-NH2 3.73Å; D219-R227 PolarHBondContact OD2-NH2 3.41Å; D219-N248 VanDerWaalsContact OD1-CB 3.24Å; D219-N248 WeakPolarHBondContact OD1-CB 3.44Å; D219-N248 PolarHBondContact OD1-ND2 3Å
220A95.8Very high93.3Very high0 Ų026.4 Ų26.40%014%0.138CC..  trans-76.8158.5167.200000111.1D218 L222 H223 I224D218-A220 PolarHBondContact O-N 2.96Å; A220-L222 PolarHBondContact O-N 3.39Å; A220-H223 PolarHBondContact N-ND1 2.92Å; A220-H223 VanDerWaalsContact N-ND1 3.16Å; A220-H223 WeakPolarHBondContact O-CA 3.32Å; A220-H223 VanDerWaalsContact O-CB 3.29Å; A220-H223 WeakPolarHBondContact O-CB 3.45Å; A220-H223 PolarHBondContact O-N 3.17Å; A220-I224 PolarHBondContact O-N 3.12Å
221P96.4Very high93.3Very high2 Ų228.5 Ų28.51%0.01315%0.148CC..Hα-helixtrans-51.8-33.2176-28.433.2000113.6L188 H189 I210 G212 H223 I224 A225 Y237L188-P221 HydrophobicContact CB-CG 4.28Å; L188-P221 HydrophobicContact CD2-CB 3.85Å; L188-P221 HydrophobicContact CD2-CG 3.73Å; L188-P221 HydrophobicContact CG-CB 3.95Å; L188-P221 HydrophobicContact CG-CG 4.08Å; H189-P221 WeakPolarHBondContact NE2-CD 3.35Å; I210-P221 VanDerWaalsContact O-CD 3.3Å; I210-P221 WeakPolarHBondContact O-CD 3.12Å; I210-P221 WeakPolarHBondContact O-CG 3.33Å; G212-P221 WeakPolarHBondContact O-CD 3.35Å; P221-H223 PolarHBondContact O-N 3.41Å; P221-I224 PolarHBondContact O-N 3.49Å; P221-A225 PolarHBondContact O-N 3.18Å; P221-Y237 HydrophobicContact CB-CD2 4.14Å; P221-Y237 HydrophobicContact CB-CE2 3.79Å
222L97.4Very high93.5Very high1 Ų128.9 Ų28.91%0.00515%0.149CC..Hα-helixtrans-64.6-35.1175.6-169.563.7000112.9A220 A226 V234 Y237 L238 A242 P254 L278A220-L222 PolarHBondContact O-N 3.39Å; L222-A226 WeakPolarHBondContact O-CB 3.37Å; L222-A226 PolarHBondContact O-N 3.38Å; L222-V234 HydrophobicContact CD1-CB 4.35Å; L222-V234 HydrophobicContact CD1-CG1 4.09Å; L222-V234 HydrophobicContact CD1-CG2 4.18Å; L222-Y237 HydrophobicContact CD1-CD2 4.5Å; L222-L238 HydrophobicContact CD1-CD2 4.41Å; L222-L238 HydrophobicContact CD1-CG 4.37Å; L222-L238 HydrophobicContact CD2-CD2 4Å; L222-A242 HydrophobicContact CB-CB 4.19Å; L222-A242 HydrophobicContact CD1-CB 4.47Å; L222-A242 HydrophobicContact CD2-CB 3.85Å; L222-A242 HydrophobicContact CG-CB 4.4Å; L222-P254 HydrophobicContact CB-CG 4.19Å; L222-P254 HydrophobicContact CD2-CB 4.1Å; L222-P254 HydrophobicContact CD2-CG 3.8Å; L222-P254 HydrophobicContact CG-CB 3.84Å; L222-P254 HydrophobicContact CG-CG 3.85Å; L222-L278 HydrophobicContact CD1-CD2 4.19Å; L222-L278 HydrophobicContact CD2-CD2 4.06Å; L222-L278 HydrophobicContact CG-CD2 4.25Å
223H96.6Very high93.8Very high0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-62.4-46.9174-68.484.1000110.8D219 A220 P221 A226 R227 K246 L252 P254D219-H223 HydrophobicContact CB-CB 4.19Å; D219-H223 IonicContact OD1-CD2 3.4Å; D219-H223 IonicContact OD1-CG 3.91Å; A220-H223 PolarHBondContact N-ND1 2.92Å; A220-H223 VanDerWaalsContact N-ND1 3.16Å; A220-H223 WeakPolarHBondContact O-CA 3.32Å; A220-H223 VanDerWaalsContact O-CB 3.29Å; A220-H223 WeakPolarHBondContact O-CB 3.45Å; A220-H223 PolarHBondContact O-N 3.17Å; P221-H223 PolarHBondContact O-N 3.41Å; H223-A226 PolarHBondContact O-N 3.35Å; H223-R227 VanDerWaalsContact O-CB 3.25Å; H223-R227 WeakPolarHBondContact O-CB 3.1Å; H223-R227 PolarHBondContact O-N 3.45Å; H223-K246 PolarHBondContact CE1-O 3.47Å; H223-K246 PolarHBondContact NE2-O 3.47Å; H223-L252 PolarHBondContact NE2-O 3.27Å; H223-P254 WeakPolarHBondContact NE2-CD 3.4Å
224I95.3Very high94Very high17 Ų1726.9 Ų26.99%0.08713%0.134CC..Hα-helixtrans-66.1-48.6-178.3-58.9178.1000110.2H189 T192 T214 D219 A220 P221 A226 R227 H228H189-I224 HydrophobicContact CB-CD1 3.53Å; T192-I224 HydrophobicContact CG2-CG2 3.88Å; T214-I224 HydrophobicContact CG2-CD1 4.22Å; D219-I224 HydrophobicContact CB-CG1 4.38Å; A220-I224 PolarHBondContact O-N 3.12Å; P221-I224 PolarHBondContact O-N 3.49Å; I224-A226 VanDerWaalsContact C-N 3.25Å; I224-A226 PolarHBondContact O-N 2.93Å; I224-R227 WeakPolarHBondContact O-CB 3.08Å; I224-R227 PolarHBondContact O-N 2.95Å; I224-R227 VanDerWaalsContact O-N 3.17Å; I224-H228 PolarHBondContact O-CD2 3.11Å; I224-H228 VanDerWaalsContact O-CD2 3.24Å; I224-H228 PolarHBondContact O-N 3.32Å
225A96.6Very high94.3Very high2 Ų229.9 Ų29.92%0.01715%0.147CC..Hα-helixtrans-57.6-40.5176.400000112P221 H228 G229 L230 H233 V234 Y237P221-A225 PolarHBondContact O-N 3.18Å; A225-H228 PolarHBondContact O-N 3.29Å; A225-G229 PolarHBondContact O-N 3.34Å; A225-G229 VanDerWaalsContact O-N 3.12Å; A225-L230 HydrophobicContact CB-CB 4.4Å; A225-L230 PolarHBondContact O-N 3.25Å; A225-H233 HydrophobicContact CB-CB 3.93Å; A225-V234 HydrophobicContact CB-CG2 3.86Å; A225-Y237 HydrophobicContact CB-CD2 3.99Å; A225-Y237 HydrophobicContact CB-CE2 3.79Å
226A96.4Very high94.8Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-67.1-43.8176.900000112.5L222 H223 I224 H228 G229 P254 A258 V274 L278L222-A226 WeakPolarHBondContact O-CB 3.37Å; L222-A226 PolarHBondContact O-N 3.38Å; H223-A226 PolarHBondContact O-N 3.35Å; I224-A226 VanDerWaalsContact C-N 3.25Å; I224-A226 PolarHBondContact O-N 2.93Å; A226-H228 VanDerWaalsContact C-N 3.27Å; A226-H228 PolarHBondContact O-N 3.28Å; A226-G229 PolarHBondContact O-N 3.01Å; A226-P254 HydrophobicContact CB-CB 4.18Å; A226-P254 WeakPolarHBondContact CB-O 3.34Å; A226-A258 HydrophobicContact CB-CB 4.07Å; A226-A258 WeakPolarHBondContact O-CA 3.34Å; A226-V274 HydrophobicContact CB-CG1 4.04Å; A226-L278 HydrophobicContact CB-CD1 4.21Å
227R94.2Very high95.5Very high48 Ų4824.3 Ų24.318%0.18112%0.117CC..Hα-helixtrans-55.6-39.1175.9-171.8-177-69.1-165.9-1.8112.2E217 D219 H223 I224 A257 Q261 Y271E217-R227 IonicContact OE2-CZ 3.51Å; E217-R227 IonicContact OE2-NH1 3.95Å; E217-R227 PolarHBondContact OE2-NH1 3.47Å; E217-R227 IonicContact OE2-NH2 3.8Å; E217-R227 PolarHBondContact OE2-NH2 3.39Å; D219-R227 IonicContact OD1-NH2 3.38Å; D219-R227 IonicContact OD2-CZ 3.67Å; D219-R227 VanDerWaalsContact OD2-CZ 3.26Å; D219-R227 IonicContact OD2-NE 3.31Å; D219-R227 IonicContact OD2-NH1 3.43Å; D219-R227 IonicContact OD2-NH2 3.73Å; D219-R227 PolarHBondContact OD2-NH2 3.41Å; H223-R227 VanDerWaalsContact O-CB 3.25Å; H223-R227 WeakPolarHBondContact O-CB 3.1Å; H223-R227 PolarHBondContact O-N 3.45Å; I224-R227 WeakPolarHBondContact O-CB 3.08Å; I224-R227 PolarHBondContact O-N 2.95Å; I224-R227 VanDerWaalsContact O-N 3.17Å; R227-A257 HydrophobicContact CB-CB 4.47Å; R227-Q261 HydrophobicContact CB-CG 4.33Å; R227-Q261 HydrophobicContact CG-CG 3.33Å; R227-Y271 WeakPolarHBondContact O-CE1 3.17Å; R227-Y271 PolarHBondContact O-OH 3.38Å
228H93.4Very high96Very high70 Ų7022.9 Ų22.932%0.32411%0.112SC..Hα-helixtrans-89.1-5.4178.7-70.9-82.3000114.1I224 A225 A226 L230 R270I224-H228 PolarHBondContact O-CD2 3.11Å; I224-H228 VanDerWaalsContact O-CD2 3.24Å; I224-H228 PolarHBondContact O-N 3.32Å; A225-H228 PolarHBondContact O-N 3.29Å; A226-H228 VanDerWaalsContact C-N 3.27Å; A226-H228 PolarHBondContact O-N 3.28Å; H228-L230 HydrophobicContact CB-CD1 4.12Å; H228-L230 HydrophobicContact CB-CD2 4.35Å; H228-L230 HydrophobicContact CB-CG 3.81Å; H228-R270 PolarHBondContact O-NE 2.92Å
229G94.5Very high96.2Very high2 Ų229.1 Ų29.12%0.02113%0.132CC..THydrogen-bonded Turntrans71.729.1-179.800000113.6A225 A226 H231A225-G229 PolarHBondContact O-N 3.34Å; A225-G229 VanDerWaalsContact O-N 3.12Å; A226-G229 PolarHBondContact O-N 3.01Å; G229-H231 PolarHBondContact O-N 3.22Å; G229-H231 VanDerWaalsContact O-N 3.17Å
230L96.1Very high96.3Very high16 Ų1633.5 Ų33.58%0.08415%0.152CC..  trans-84.782.6-176.7-56.2178.5000110.8A225 H228 D232 H233 V234A225-L230 HydrophobicContact CB-CB 4.4Å; A225-L230 PolarHBondContact O-N 3.25Å; H228-L230 HydrophobicContact CB-CD1 4.12Å; H228-L230 HydrophobicContact CB-CD2 4.35Å; H228-L230 HydrophobicContact CB-CG 3.81Å; L230-D232 VanDerWaalsContact C-N 3.35Å; L230-D232 PolarHBondContact O-N 3.44Å; L230-H233 HydrophobicContact CB-CB 3.89Å; L230-H233 PolarHBondContact O-N 3.22Å; L230-V234 VanDerWaalsContact O-CG2 3.32Å; L230-V234 WeakPolarHBondContact O-CG2 3.37Å; L230-V234 PolarHBondContact O-N 3.31Å
231H95.8Very high96.3Very high66 Ų6635.8 Ų35.831%0.30618%0.176SC..Hα-helixtrans-60.3-38.6-176.459.9-79.9000113.8G229 V234 E235 K273 V274 M277G229-H231 PolarHBondContact O-N 3.22Å; G229-H231 VanDerWaalsContact O-N 3.17Å; H231-V234 PolarHBondContact O-N 3.31Å; H231-E235 WeakPolarHBondContact O-CB 3.25Å; H231-E235 PolarHBondContact O-N 3.06Å; H231-K273 HydrophobicContact CB-CB 4.24Å; H231-K273 HydrophobicContact CB-CG 3.91Å; H231-V274 HydrophobicContact CB-CG2 3.97Å; H231-M277 HydrophobicContact CB-CE 4.35Å; H231-M277 HydrophobicContact CB-SD 3.91Å
232D97Very high96.3Very high70 Ų7036.1 Ų36.137%0.37418%0.178SC..Hα-helixtrans-64.7-44.1177.5-61.9-39.6000111.7F197 L230 E235 L236F197-D232 HydrophobicContact CD2-CB 3.71Å; F197-D232 HydrophobicContact CE2-CB 3.72Å; F197-D232 WeakPolarHBondContact CE2-O 3.49Å; F197-D232 HydrophobicContact CG-CB 4.45Å; F197-D232 HydrophobicContact CZ-CB 4.47Å; L230-D232 VanDerWaalsContact C-N 3.35Å; L230-D232 PolarHBondContact O-N 3.44Å; D232-E235 PolarHBondContact O-N 3.17Å; D232-L236 WeakPolarHBondContact O-CB 3.47Å; D232-L236 PolarHBondContact O-N 3.27Å
233H97.7Very high96.2Very high1 Ų137.9 Ų37.91%0.00519%0.193CC..Hα-helixtrans-63.1-44.1174.5-66.265.1000111.7S193 S196 F197 A225 L230 E235 L236 Y237S193-H233 PolarHBondContact O-CE1 2.86Å; S193-H233 PolarHBondContact O-NE2 3Å; S196-H233 PolarHBondContact OG-NE2 3.39Å; F197-H233 WeakPolarHBondContact CA-CE1 3.01Å; F197-H233 WeakPolarHBondContact CA-NE2 3.39Å; F197-H233 AromaticContact CD2-ND1 3.85Å; F197-H233 PolarHBondContact N-CE1 3.14Å; F197-H233 PolarHBondContact N-NE2 3.43Å; A225-H233 HydrophobicContact CB-CB 3.93Å; L230-H233 HydrophobicContact CB-CB 3.89Å; L230-H233 PolarHBondContact O-N 3.22Å; H233-E235 VanDerWaalsContact C-N 3.33Å; H233-E235 PolarHBondContact O-N 2.84Å; H233-L236 PolarHBondContact O-N 3.33Å; H233-Y237 HydrophobicContact CB-CE2 4.2Å; H233-Y237 VanDerWaalsContact O-CB 3.27Å; H233-Y237 WeakPolarHBondContact O-CB 3.4Å; H233-Y237 VanDerWaalsContact O-CD1 3.3Å; H233-Y237 WeakPolarHBondContact O-CD1 3.2Å; H233-Y237 PolarHBondContact O-N 2.74Å
234V97.8Very high96.2Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-58.1-47.4176.3167.40000110.4L222 A225 L230 H231 L236 Y237 L238 V274 M277 L278L222-V234 HydrophobicContact CD1-CB 4.35Å; L222-V234 HydrophobicContact CD1-CG1 4.09Å; L222-V234 HydrophobicContact CD1-CG2 4.18Å; A225-V234 HydrophobicContact CB-CG2 3.86Å; L230-V234 VanDerWaalsContact O-CG2 3.32Å; L230-V234 WeakPolarHBondContact O-CG2 3.37Å; L230-V234 PolarHBondContact O-N 3.31Å; H231-V234 PolarHBondContact O-N 3.31Å; V234-L236 PolarHBondContact O-N 3.24Å; V234-Y237 PolarHBondContact O-N 2.88Å; V234-L238 HydrophobicContact CG1-CD1 3.72Å; V234-L238 HydrophobicContact CG1-CG 4.29Å; V234-L238 WeakPolarHBondContact O-CB 3.33Å; V234-L238 WeakPolarHBondContact O-CG 3.46Å; V234-L238 PolarHBondContact O-N 3.05Å; V234-V274 HydrophobicContact CG2-CG1 4.11Å; V234-V274 HydrophobicContact CG2-CG2 4.16Å; V234-M277 HydrophobicContact CG1-CB 4.21Å; V234-L278 HydrophobicContact CG1-CD2 4.11Å; V234-L278 HydrophobicContact CG1-CG 4.29Å
235E97.5Very high96.1Very high71 Ų7141.6 Ų41.633%0.33221%0.214SC..Hα-helixtrans-60.3-45.8177.2-177.4172-155.900112.1H231 D232 H233 Y237 R239 M277H231-E235 WeakPolarHBondContact O-CB 3.25Å; H231-E235 PolarHBondContact O-N 3.06Å; D232-E235 PolarHBondContact O-N 3.17Å; H233-E235 VanDerWaalsContact C-N 3.33Å; H233-E235 PolarHBondContact O-N 2.84Å; E235-Y237 PolarHBondContact O-N 2.92Å; E235-R239 VanDerWaalsContact CD-NH2 3.29Å; E235-R239 VanDerWaalsContact O-CG 3.28Å; E235-R239 WeakPolarHBondContact O-CG 3.4Å; E235-R239 PolarHBondContact O-N 2.98Å; E235-R239 IonicContact OE1-CZ 3.49Å; E235-R239 IonicContact OE1-NE 2.93Å; E235-R239 IonicContact OE1-NH2 2.78Å; E235-R239 PolarHBondContact OE1-NH2 2.93Å; E235-R239 IonicContact OE2-NH2 2.7Å; E235-M277 HydrophobicContact CB-CE 3.9Å; E235-M277 HydrophobicContact CB-SD 4.34Å; E235-M277 HydrophobicContact CG-CE 4.42Å
236L97.6Very high96Very high21 Ų2144.8 Ų44.811%0.1123%0.227CC..Hα-helixtrans-59.4-47.3176.4179.567.2000111.3F197 A200 K201 L204 D232 H233 V234 R239 H240F197-L236 HydrophobicContact CE2-CB 4.03Å; F197-L236 HydrophobicContact CE2-CD2 3.98Å; F197-L236 HydrophobicContact CZ-CD2 4.45Å; A200-L236 HydrophobicContact CB-CD2 4.36Å; K201-L236 HydrophobicContact CB-CD2 4.12Å; L204-L236 HydrophobicContact CD1-CD1 4.45Å; L204-L236 HydrophobicContact CD1-CD2 3.87Å; L204-L236 HydrophobicContact CD1-CG 3.81Å; D232-L236 WeakPolarHBondContact O-CB 3.47Å; D232-L236 PolarHBondContact O-N 3.27Å; H233-L236 PolarHBondContact O-N 3.33Å; V234-L236 PolarHBondContact O-N 3.24Å; L236-R239 PolarHBondContact O-N 3.33Å; L236-H240 PolarHBondContact O-CD2 3.27Å; L236-H240 VanDerWaalsContact O-CD2 3.29Å; L236-H240 PolarHBondContact O-N 3.34Å; L236-H240 VanDerWaalsContact O-N 3.11Å
237Y97.6Very high95.9Very high2 Ų249.2 Ų49.21%0.00825%0.248CC..Hα-helixtrans-65.2-42.6-177.1-69.2-2.1000111.8L188 A200 L204 I210 P221 L222 A225 H233 V234 E235 R239 H240 G241 A242L188-Y237 HydrophobicContact CD1-CE1 3.82Å; L188-Y237 WeakPolarHBondContact CD1-OH 3.29Å; L188-Y237 HydrophobicContact CD2-CE1 4.3Å; L188-Y237 HydrophobicContact CG-CE1 4.2Å; A200-Y237 HydrophobicContact CB-CE1 4.04Å; L204-Y237 HydrophobicContact CD1-CD1 3.87Å; L204-Y237 HydrophobicContact CD1-CE1 4Å; I210-Y237 HydrophobicContact CD1-CD1 3.69Å; I210-Y237 HydrophobicContact CD1-CD2 4.42Å; I210-Y237 HydrophobicContact CD1-CE1 4.46Å; I210-Y237 HydrophobicContact CD1-CG 3.67Å; P221-Y237 HydrophobicContact CB-CD2 4.14Å; P221-Y237 HydrophobicContact CB-CE2 3.79Å; L222-Y237 HydrophobicContact CD1-CD2 4.5Å; A225-Y237 HydrophobicContact CB-CD2 3.99Å; A225-Y237 HydrophobicContact CB-CE2 3.79Å; H233-Y237 HydrophobicContact CB-CE2 4.2Å; H233-Y237 VanDerWaalsContact O-CB 3.27Å; H233-Y237 WeakPolarHBondContact O-CB 3.4Å; H233-Y237 VanDerWaalsContact O-CD1 3.3Å; H233-Y237 WeakPolarHBondContact O-CD1 3.2Å; H233-Y237 PolarHBondContact O-N 2.74Å; V234-Y237 PolarHBondContact O-N 2.88Å; E235-Y237 PolarHBondContact O-N 2.92Å; Y237-R239 PolarHBondContact O-N 3.08Å; Y237-H240 CarbonylContact O-C 3.52Å; Y237-H240 PolarHBondContact O-N 2.95Å; Y237-H240 VanDerWaalsContact O-N 3.17Å; Y237-G241 PolarHBondContact O-N 3.06Å; Y237-A242 WeakPolarHBondContact O-CB 3.37Å; Y237-A242 PolarHBondContact O-N 3.38Å
238L97.2Very high95.8Very high38 Ų3847.3 Ų47.320%0.19924%0.241CC..Hα-helixtrans-61.5-43.1174.6-69171.7000111.7L222 V234 H240 G241 V244 M277 L278 A281L222-L238 HydrophobicContact CD1-CD2 4.41Å; L222-L238 HydrophobicContact CD1-CG 4.37Å; L222-L238 HydrophobicContact CD2-CD2 4Å; V234-L238 HydrophobicContact CG1-CD1 3.72Å; V234-L238 HydrophobicContact CG1-CG 4.29Å; V234-L238 WeakPolarHBondContact O-CB 3.33Å; V234-L238 WeakPolarHBondContact O-CG 3.46Å; V234-L238 PolarHBondContact O-N 3.05Å; L238-H240 PolarHBondContact O-N 2.79Å; L238-G241 PolarHBondContact O-N 2.77Å; L238-V244 HydrophobicContact CD2-CG2 3.55Å; L238-M277 HydrophobicContact CD1-CB 4.43Å; L238-L278 HydrophobicContact CD2-CD2 4.49Å; L238-A281 HydrophobicContact CD1-CB 3.95Å; L238-A281 HydrophobicContact CD2-CB 3.94Å
239R96.3Very high95.7Very high182 Ų18247.3 Ų47.369%0.68724%0.244SC*.Hα-helixtrans-61.6-29.8175.7-72.8173.8-177.2-175.23.1113E235 L236 Y237 G241E235-R239 VanDerWaalsContact CD-NH2 3.29Å; E235-R239 VanDerWaalsContact O-CG 3.28Å; E235-R239 WeakPolarHBondContact O-CG 3.4Å; E235-R239 PolarHBondContact O-N 2.98Å; E235-R239 IonicContact OE1-CZ 3.49Å; E235-R239 IonicContact OE1-NE 2.93Å; E235-R239 IonicContact OE1-NH2 2.78Å; E235-R239 PolarHBondContact OE1-NH2 2.93Å; E235-R239 IonicContact OE2-NH2 2.7Å; L236-R239 PolarHBondContact O-N 3.33Å; Y237-R239 PolarHBondContact O-N 3.08Å; R239-G241 VanDerWaalsContact C-N 3.33Å
240H95.9Very high95.4Very high95 Ų9551.4 Ų51.444%0.4426%0.262SS..THydrogen-bonded Turntrans-88.68.2176.5-81-91.2000114L204 I210 L236 Y237 L238L204-H240 HydrophobicContact CD1-CB 4.39Å; I210-H240 HydrophobicContact CG1-CB 4.42Å; L236-H240 PolarHBondContact O-CD2 3.27Å; L236-H240 VanDerWaalsContact O-CD2 3.29Å; L236-H240 PolarHBondContact O-N 3.34Å; L236-H240 VanDerWaalsContact O-N 3.11Å; Y237-H240 CarbonylContact O-C 3.52Å; Y237-H240 PolarHBondContact O-N 2.95Å; Y237-H240 VanDerWaalsContact O-N 3.17Å; L238-H240 PolarHBondContact O-N 2.79Å
241G94.6Very high95.2Very high48 Ų4851.2 Ų51.250%0.49526%0.264SS..THydrogen-bonded Turntrans84.931.1174.100000114.6N211 Y237 L238 R239N211-G241 PolarHBondContact ND2-O 2.72Å; Y237-G241 PolarHBondContact O-N 3.06Å; L238-G241 PolarHBondContact O-N 2.77Å; R239-G241 VanDerWaalsContact C-N 3.33Å
242A96.4Very high95.1Very high8 Ų848.5 Ų48.57%0.06625%0.252CS..  trans-59.8137.6170.200000111.5I210 N211 L222 Y237 V244I210-A242 HydrophobicContact CD1-CB 4.27Å; I210-A242 HydrophobicContact CG1-CB 3.73Å; N211-A242 WeakPolarHBondContact OD1-CA 3.39Å; L222-A242 HydrophobicContact CB-CB 4.19Å; L222-A242 HydrophobicContact CD1-CB 4.47Å; L222-A242 HydrophobicContact CD2-CB 3.85Å; L222-A242 HydrophobicContact CG-CB 4.4Å; Y237-A242 WeakPolarHBondContact O-CB 3.37Å; Y237-A242 PolarHBondContact O-N 3.38Å; A242-V244 PolarHBondContact O-N 2.9Å
243A95.8Very high95Very high38 Ų3845.1 Ų45.131%0.31423%0.234SC..  trans-74.2110.2178.100000110.7N211 K246N211-A243 PolarHBondContact OD1-N 2.76Å; A243-K246 HydrophobicContact CB-CB 3.85Å
244V96Very high94.9Very high24 Ų2445.1 Ų45.115%0.14523%0.234CC..THydrogen-bonded Turntrans-67.5-37.2-172.7-171.70000113.2L238 A242 P254 L278 A281 A283L238-V244 HydrophobicContact CD2-CG2 3.55Å; A242-V244 PolarHBondContact O-N 2.9Å; V244-P254 WeakPolarHBondContact O-CD 3.33Å; V244-P254 WeakPolarHBondContact O-CG 3.24Å; V244-L278 HydrophobicContact CG1-CD2 4.33Å; V244-A281 HydrophobicContact CG1-CB 4.45Å; V244-A281 HydrophobicContact CG2-CB 4.02Å; V244-A283 HydrophobicContact CG1-CB 3.56Å
245D94.4Very high94.9Very high72 Ų7245.1 Ų45.139%0.38523%0.234SC..THydrogen-bonded Turntrans-108.517-176.6-67.6-45.5000113.3Q247 A283 D284D245-Q247 PolarHBondContact O-N 3.47Å; D245-A283 VanDerWaalsContact OD1-CA 3.31Å; D245-A283 WeakPolarHBondContact OD1-CA 3.46Å; D245-D284 PolarHBondContact OD1-N 3.33Å
246K93.7Very high94.8Very high69 Ų6941.7 Ų41.730%0.322%0.218SC..  trans-62.5130.2174.6-178.5153.4-178.31780108.7C213 H223 A243 P254C213-K246 VanDerWaalsContact SG-CE 3.58Å; C213-K246 PolarHBondContact SG-NZ 3.43Å; H223-K246 PolarHBondContact CE1-O 3.47Å; H223-K246 PolarHBondContact NE2-O 3.47Å; A243-K246 HydrophobicContact CB-CB 3.85Å; K246-P254 WeakPolarHBondContact O-CD 3.32Å
247Q93.9Very high94.6Very high92 Ų9240.8 Ų40.843%0.4321%0.213SC..  trans-94.7136.5175.2-65.7-174.5-6600110D245 G251 L252 T253 T287 K288D245-Q247 PolarHBondContact O-N 3.47Å; Q247-G251 PolarHBondContact NE2-O 3.02Å; Q247-L252 VanDerWaalsContact CA-O 3.31Å; Q247-L252 WeakPolarHBondContact CA-O 3.37Å; Q247-T253 HydrophobicContact CG-CG2 3.91Å; Q247-T287 HydrophobicContact CG-CG2 4.38Å; Q247-T287 VanDerWaalsContact NE2-CG2 3.27Å; Q247-K288 PolarHBondContact NE2-O 3.41Å
248N92.4Very high94.4Very high8 Ų840.7 Ų40.74%0.04321%0.213CC..  trans-79.2-176.8170.580.6-7.1000111.1E217 D219 E250 G251 L252E217-N248 WeakPolarHBondContact O-CB 3.36Å; D219-N248 VanDerWaalsContact OD1-CB 3.24Å; D219-N248 WeakPolarHBondContact OD1-CB 3.44Å; D219-N248 PolarHBondContact OD1-ND2 3Å; N248-E250 PolarHBondContact O-N 3.19Å; N248-E250 VanDerWaalsContact O-N 3.16Å; N248-E250 WeakPolarHBondContact OD1-CA 3.27Å; N248-E250 WeakPolarHBondContact OD1-CB 3.37Å; N248-E250 PolarHBondContact OD1-N 3.4Å; N248-G251 PolarHBondContact O-N 3.35Å; N248-G251 PolarHBondContact OD1-N 2.85Å; N248-L252 PolarHBondContact N-O 2.95Å; N248-L252 WeakPolarHBondContact OD1-CB 3.45Å; N248-L252 PolarHBondContact OD1-N 3.41Å; N248-L252 PolarHBondContact OD1-O 2.87Å
249N90.4Very high94.2Very high71 Ų7138.9 Ų38.938%0.3820%0.203SC..THydrogen-bonded Turntrans-57.7-31.6-179.7-76.1-28.1000112.9D216 E217 D218 G251 Q290D216-N249 PolarHBondContact O-ND2 2.89Å; E217-N249 VanDerWaalsContact O-CB 3.32Å; E217-N249 WeakPolarHBondContact O-CB 3.37Å; E217-N249 PolarHBondContact O-N 2.86Å; D218-N249 HydrophobicContact CB-CB 4.49Å; D218-N249 WeakPolarHBondContact CB-OD1 3.33Å; N249-G251 VanDerWaalsContact C-N 3.26Å; N249-G251 PolarHBondContact O-N 2.8Å; N249-Q290 PolarHBondContact O-NE2 3.29Å
250E88.6Confident93.9Very high88 Ų8831.9 Ų31.941%0.41118%0.184SC..THydrogen-bonded Turntrans-81.91.5177.6-58.3-169.5154.200113.7N248 L252 Q290N248-E250 PolarHBondContact O-N 3.19Å; N248-E250 VanDerWaalsContact O-N 3.16Å; N248-E250 WeakPolarHBondContact OD1-CA 3.27Å; N248-E250 WeakPolarHBondContact OD1-CB 3.37Å; N248-E250 PolarHBondContact OD1-N 3.4Å; E250-L252 HydrophobicContact CB-CD1 4.17Å; E250-L252 HydrophobicContact CB-CG 3.97Å; E250-L252 PolarHBondContact O-N 2.82Å; E250-L252 VanDerWaalsContact OE2-CD1 3.24Å; E250-L252 WeakPolarHBondContact OE2-CD1 3.26Å; E250-Q290 WeakPolarHBondContact O-CG 3.08Å; E250-Q290 PolarHBondContact O-N 3.22Å
251G91.6Very high93.4Very high11 Ų1130.7 Ų30.711%0.11318%0.179CC..SBendtrans74.411.7-174.500000113.5Q247 N248 N249Q247-G251 PolarHBondContact NE2-O 3.02Å; N248-G251 PolarHBondContact O-N 3.35Å; N248-G251 PolarHBondContact OD1-N 2.85Å; N249-G251 VanDerWaalsContact C-N 3.26Å; N249-G251 PolarHBondContact O-N 2.8Å
252L93.9Very high92.9Very high9 Ų933 Ų335%0.04719%0.185CC..  trans-79.5133.8177.1-57.5174.7000109.7H223 Q247 N248 E250 N256 D289 M298H223-L252 PolarHBondContact NE2-O 3.27Å; Q247-L252 VanDerWaalsContact CA-O 3.31Å; Q247-L252 WeakPolarHBondContact CA-O 3.37Å; N248-L252 PolarHBondContact N-O 2.95Å; N248-L252 WeakPolarHBondContact OD1-CB 3.45Å; N248-L252 PolarHBondContact OD1-N 3.41Å; N248-L252 PolarHBondContact OD1-O 2.87Å; E250-L252 HydrophobicContact CB-CD1 4.17Å; E250-L252 HydrophobicContact CB-CG 3.97Å; E250-L252 PolarHBondContact O-N 2.82Å; E250-L252 VanDerWaalsContact OE2-CD1 3.24Å; E250-L252 WeakPolarHBondContact OE2-CD1 3.26Å; L252-N256 HydrophobicContact CB-CB 4.09Å; L252-N256 HydrophobicContact CD2-CB 3.82Å; L252-D289 HydrophobicContact CD2-CB 3.62Å; L252-D289 HydrophobicContact CG-CB 4.49Å; L252-M298 HydrophobicContact CD2-CE 3.36Å; L252-M298 HydrophobicContact CD2-SD 4.33Å
253T95.9Very high92.3Very high0 Ų033 Ų330%018%0.184CC..  trans-86.5167.6163.159.70000110.1Q247 L255 N256 A257 T287Q247-T253 HydrophobicContact CG-CG2 3.91Å; T253-L255 PolarHBondContact O-N 2.86Å; T253-N256 WeakPolarHBondContact O-CA 3.17Å; T253-N256 WeakPolarHBondContact O-CB 3.15Å; T253-N256 PolarHBondContact O-N 3.45Å; T253-N256 PolarHBondContact OG1-N 3.02Å; T253-A257 PolarHBondContact O-N 3.29Å; T253-T287 HydrophobicContact CG2-CG2 3.52Å
254P96.2Very high91.7Very high0 Ų036.7 Ų36.70%019%0.194CC..Hα-helixtrans-53.8-36.2170.5-26.434.2000113.4L222 H223 A226 V244 K246 A257 A258 L278L222-P254 HydrophobicContact CB-CG 4.19Å; L222-P254 HydrophobicContact CD2-CB 4.1Å; L222-P254 HydrophobicContact CD2-CG 3.8Å; L222-P254 HydrophobicContact CG-CB 3.84Å; L222-P254 HydrophobicContact CG-CG 3.85Å; H223-P254 WeakPolarHBondContact NE2-CD 3.4Å; A226-P254 HydrophobicContact CB-CB 4.18Å; A226-P254 WeakPolarHBondContact CB-O 3.34Å; V244-P254 WeakPolarHBondContact O-CD 3.33Å; V244-P254 WeakPolarHBondContact O-CG 3.24Å; K246-P254 WeakPolarHBondContact O-CD 3.32Å; P254-A257 PolarHBondContact O-N 2.92Å; P254-A258 PolarHBondContact O-N 3.37Å; P254-L278 HydrophobicContact CB-CD1 4.21Å; P254-L278 HydrophobicContact CB-CD2 4.17Å
255L96.8Very high91.1Very high0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-64.1-43.4175-178.366.4000111.5T253 A258 C259 C275 L278 L279 A283 V285 P295 L311T253-L255 PolarHBondContact O-N 2.86Å; L255-A258 PolarHBondContact O-N 3.35Å; L255-C259 PolarHBondContact O-N 3.31Å; L255-C259 PolarHBondContact O-SG 3.05Å; L255-C275 HydrophobicContact CD1-CB 4.02Å; L255-L278 HydrophobicContact CB-CD1 4.28Å; L255-L278 HydrophobicContact CD1-CB 4.37Å; L255-L278 HydrophobicContact CD1-CD1 4.39Å; L255-L279 HydrophobicContact CD1-CD2 4.46Å; L255-L279 HydrophobicContact CD1-CG 4.24Å; L255-L279 HydrophobicContact CD2-CD2 3.76Å; L255-L279 HydrophobicContact CD2-CG 4.41Å; L255-A283 HydrophobicContact CB-CB 4.34Å; L255-A283 HydrophobicContact CD2-CB 4.18Å; L255-V285 HydrophobicContact CD2-CG1 4.47Å; L255-P295 HydrophobicContact CD2-CB 4.29Å; L255-P295 HydrophobicContact CD2-CG 3.93Å; L255-P295 HydrophobicContact CG-CB 4.27Å; L255-P295 HydrophobicContact CG-CG 4.3Å; L255-L311 HydrophobicContact CD2-CD2 4.35Å
256N94.6Very high90.7Very high0 Ų042.6 Ų42.60%022%0.217CC..Hα-helixtrans-62.5-44.1174-70.7-9.9000111L252 T253 A258 C259 A260 P295 M298L252-N256 HydrophobicContact CB-CB 4.09Å; L252-N256 HydrophobicContact CD2-CB 3.82Å; T253-N256 WeakPolarHBondContact O-CA 3.17Å; T253-N256 WeakPolarHBondContact O-CB 3.15Å; T253-N256 PolarHBondContact O-N 3.45Å; T253-N256 PolarHBondContact OG1-N 3.02Å; N256-A258 VanDerWaalsContact C-N 3.34Å; N256-A258 PolarHBondContact O-N 3.11Å; N256-C259 CarbonylContact O-C 3.54Å; N256-C259 PolarHBondContact O-N 3.33Å; N256-A260 VanDerWaalsContact O-CB 3.28Å; N256-A260 WeakPolarHBondContact O-CB 3.26Å; N256-A260 PolarHBondContact O-N 3.5Å; N256-P295 WeakPolarHBondContact OD1-CB 3.46Å; N256-P295 WeakPolarHBondContact OD1-CD 3.27Å; N256-P295 WeakPolarHBondContact OD1-CG 2.93Å; N256-M298 HydrophobicContact CB-CE 4.12Å; N256-M298 HydrophobicContact CB-SD 3.82Å
257A93.8Very high90.3Very high1 Ų143.4 Ų43.41%0.00822%0.219CC..Hα-helixtrans-59.4-41178.700000112.6R227 T253 P254 C259 A260R227-A257 HydrophobicContact CB-CB 4.47Å; T253-A257 PolarHBondContact O-N 3.29Å; P254-A257 PolarHBondContact O-N 2.92Å; A257-C259 VanDerWaalsContact C-N 3.32Å; A257-C259 PolarHBondContact O-N 3.46Å; A257-A260 PolarHBondContact O-N 3.47Å
258A94.8Very high89.9Confident0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-62.5-37.3173.300000112.9A226 P254 L255 N256 Q263 V274A226-A258 HydrophobicContact CB-CB 4.07Å; A226-A258 WeakPolarHBondContact O-CA 3.34Å; P254-A258 PolarHBondContact O-N 3.37Å; L255-A258 PolarHBondContact O-N 3.35Å; N256-A258 VanDerWaalsContact C-N 3.34Å; N256-A258 PolarHBondContact O-N 3.11Å; A258-Q263 PolarHBondContact O-NE2 3.11Å; A258-V274 HydrophobicContact CB-CG1 3.92Å
259C92.7Very high89.8Confident0 Ų041.4 Ų41.40%022%0.223CC..Hα-helixtrans-82.7-22.8-178.3-62.70000113.4L255 N256 A257 M298 N302L255-C259 PolarHBondContact O-N 3.31Å; L255-C259 PolarHBondContact O-SG 3.05Å; N256-C259 CarbonylContact O-C 3.54Å; N256-C259 PolarHBondContact O-N 3.33Å; A257-C259 VanDerWaalsContact C-N 3.32Å; A257-C259 PolarHBondContact O-N 3.46Å; C259-M298 HydrophobicContact CB-CB 3.77Å; C259-M298 CarbonylContact O-C 3.52Å; C259-M298 WeakPolarHBondContact O-CB 3.5Å; C259-N302 PolarHBondContact O-ND2 3.32Å
260A88.8Confident89.8Confident35 Ų3541.8 Ų41.829%0.28922%0.219SC..Hα-helixtrans-77.9-34.4-171.800000113.8N256 A257 M298 N302N256-A260 VanDerWaalsContact O-CB 3.28Å; N256-A260 WeakPolarHBondContact O-CB 3.26Å; N256-A260 PolarHBondContact O-N 3.5Å; A257-A260 PolarHBondContact O-N 3.47Å; A260-M298 HydrophobicContact CB-SD 3.88Å; A260-N302 PolarHBondContact O-ND2 3.27Å
261Q85.9Confident90.1Very high71 Ų7138 Ų3833%0.33220%0.201SC..SBendtrans-72.5143.6-173-69.9-59.2-35.600113.2R227 Q263 N302R227-Q261 HydrophobicContact CB-CG 4.33Å; R227-Q261 HydrophobicContact CG-CG 3.33Å; Q261-Q263 WeakPolarHBondContact O-CG 3.42Å; Q261-Q263 PolarHBondContact O-N 3.43Å; Q261-N302 PolarHBondContact O-ND2 3.07Å
262P83.6Confident90.2Very high97 Ų9739.1 Ų39.163%0.6320%0.204SC*.  trans-58.1121.2170.2-22.133.5000110.8
263Q84.2Confident90.3Very high7 Ų743.2 Ų43.23%0.03322%0.221CC..  trans-106.1131.6-178.7-49.9-178.2-5.200109.8A258 Q261 L268 Y271 N304 H342A258-Q263 PolarHBondContact O-NE2 3.11Å; Q261-Q263 WeakPolarHBondContact O-CG 3.42Å; Q261-Q263 PolarHBondContact O-N 3.43Å; Q263-L268 HydrophobicContact CB-CD2 3.76Å; Q263-Y271 HydrophobicContact CB-CD2 4.01Å; Q263-Y271 HydrophobicContact CB-CE2 3.9Å; Q263-Y271 VanDerWaalsContact CD-CG 3.44Å; Q263-Y271 HydrophobicContact CG-CD2 3.6Å; Q263-Y271 HydrophobicContact CG-CE2 3.56Å; Q263-Y271 HydrophobicContact CG-CG 4.11Å; Q263-Y271 VanDerWaalsContact NE2-CG 3.26Å; Q263-N304 PolarHBondContact OE1-ND2 3.13Å; Q263-H342 PolarHBondContact O-CE1 3.12Å; Q263-H342 VanDerWaalsContact O-CE1 3.3Å
264E84.2Confident90.4Very high115 Ų11543.2 Ų43.254%0.53722%0.221SC..  trans-77.6146.4167.7-68.2176.1-140.300110.5K266 Y267 L268E264-K266 VanDerWaalsContact C-N 3.25Å; E264-K266 HydrophobicContact CB-CG 4.3Å; E264-K266 PolarHBondContact O-N 3.48Å; E264-K266 VanDerWaalsContact O-N 3.15Å; E264-K266 WeakPolarHBondContact OE2-CE 3.5Å; E264-K266 IonicContact OE2-NZ 3.65Å; E264-Y267 HydrophobicContact CB-CD2 4.16Å; E264-Y267 PolarHBondContact O-N 3.22Å; E264-L268 PolarHBondContact O-N 2.97Å
265M82.4Confident90.4Very high85 Ų8543.2 Ų43.242%0.41922%0.221SC..G310 helixtrans-49.7-43.3-179.6-169.666.9171.400113.2Y267 L268 S341 H342M265-Y267 PolarHBondContact O-N 3.26Å; M265-Y267 VanDerWaalsContact O-N 3.14Å; M265-L268 WeakPolarHBondContact O-CG 3.48Å; M265-L268 PolarHBondContact O-N 3.33Å; M265-L268 HydrophobicContact SD-CD1 3.43Å; M265-L268 WeakPolarHBondContact SD-CD1 3.28Å; M265-S341 WeakPolarHBondContact CE-O 3.43Å; M265-H342 HydrophobicContact SD-CB 4.38Å
266K86.1Confident90.4Very high136 Ų13646.1 Ų46.159%0.59124%0.235SC*.G310 helixtrans-63.2-20.9-179.264.1166.2160.1167.10114E264E264-K266 VanDerWaalsContact C-N 3.25Å; E264-K266 HydrophobicContact CB-CG 4.3Å; E264-K266 PolarHBondContact O-N 3.48Å; E264-K266 VanDerWaalsContact O-N 3.15Å; E264-K266 WeakPolarHBondContact OE2-CE 3.5Å; E264-K266 IonicContact OE2-NZ 3.65Å
267Y85.4Confident90.5Very high86 Ų8647.6 Ų47.634%0.33724%0.242SC..G310 helixtrans-112.56.9-173.5-62.8-45.5000113.1E264 M265 G269 R270 Y271E264-Y267 HydrophobicContact CB-CD2 4.16Å; E264-Y267 PolarHBondContact O-N 3.22Å; M265-Y267 PolarHBondContact O-N 3.26Å; M265-Y267 VanDerWaalsContact O-N 3.14Å; Y267-G269 PolarHBondContact O-N 3.3Å; Y267-R270 WeakPolarHBondContact O-CG 3.41Å; Y267-R270 PolarHBondContact O-N 2.9Å; Y267-Y271 WeakPolarHBondContact O-CD2 3.36Å
268L86.2Confident90.7Very high10 Ų1047.6 Ų47.65%0.05224%0.242CC..Hα-helixtrans-57.6-37.5178.7-65.5174.8000112.5Q263 E264 M265 R270 Y271 L272 N304Q263-L268 HydrophobicContact CB-CD2 3.76Å; E264-L268 PolarHBondContact O-N 2.97Å; M265-L268 WeakPolarHBondContact O-CG 3.48Å; M265-L268 PolarHBondContact O-N 3.33Å; M265-L268 HydrophobicContact SD-CD1 3.43Å; M265-L268 WeakPolarHBondContact SD-CD1 3.28Å; L268-R270 PolarHBondContact O-N 3.18Å; L268-Y271 PolarHBondContact O-N 3.28Å; L268-L272 PolarHBondContact O-N 3.04Å; L268-L272 VanDerWaalsContact O-N 3.07Å; L268-N304 HydrophobicContact CD2-CB 3.95Å; L268-N304 WeakPolarHBondContact CD2-ND2 3.43Å
269G88.9Confident90.7Very high48 Ų4848.3 Ų48.350%0.49525%0.246SC..Hα-helixtrans-63.1-34179.900000114.3Y267 L272 K273Y267-G269 PolarHBondContact O-N 3.3Å; G269-L272 PolarHBondContact O-N 3.33Å; G269-K273 PolarHBondContact O-N 3.22Å; G269-K273 VanDerWaalsContact O-N 3.11Å
270R92.3Very high90.9Very high79 Ų7954 Ų5430%0.29828%0.276SS..Hα-helixtrans-66.6-40177.660.9158.7-167.6-149.40.5111.5H228 Y267 L268 K273 V274H228-R270 PolarHBondContact O-NE 2.92Å; Y267-R270 WeakPolarHBondContact O-CG 3.41Å; Y267-R270 PolarHBondContact O-N 2.9Å; L268-R270 PolarHBondContact O-N 3.18Å; R270-K273 PolarHBondContact O-N 3.47Å; R270-V274 PolarHBondContact O-N 2.84Å; R270-V274 VanDerWaalsContact O-N 3.11Å
271Y93.5Very high91.2Very high8 Ų854.6 Ų54.63%0.03128%0.281CS..Hα-helixtrans-71.6-36178.9-67.9-76.7000111.8R227 Q263 Y267 L268 K273 V274 C275R227-Y271 WeakPolarHBondContact O-CE1 3.17Å; R227-Y271 PolarHBondContact O-OH 3.38Å; Q263-Y271 HydrophobicContact CB-CD2 4.01Å; Q263-Y271 HydrophobicContact CB-CE2 3.9Å; Q263-Y271 VanDerWaalsContact CD-CG 3.44Å; Q263-Y271 HydrophobicContact CG-CD2 3.6Å; Q263-Y271 HydrophobicContact CG-CE2 3.56Å; Q263-Y271 HydrophobicContact CG-CG 4.11Å; Q263-Y271 VanDerWaalsContact NE2-CG 3.26Å; Y267-Y271 WeakPolarHBondContact O-CD2 3.36Å; L268-Y271 PolarHBondContact O-N 3.28Å; Y271-K273 VanDerWaalsContact C-N 3.31Å; Y271-K273 PolarHBondContact O-N 2.91Å; Y271-V274 PolarHBondContact O-N 3.05Å; Y271-C275 WeakPolarHBondContact O-CB 3.45Å; Y271-C275 PolarHBondContact O-N 3.47Å; Y271-C275 PolarHBondContact O-SG 3.38Å
272L94.8Very high91.6Very high34 Ų3453.7 Ų53.718%0.17829%0.291CS..Hα-helixtrans-56.4-47.8171177.866.1000110.8L268 G269 V274 C275 Q276 D306 I307 L310L268-L272 PolarHBondContact O-N 3.04Å; L268-L272 VanDerWaalsContact O-N 3.07Å; G269-L272 PolarHBondContact O-N 3.33Å; L272-V274 PolarHBondContact O-N 3.45Å; L272-C275 PolarHBondContact O-N 3.1Å; L272-Q276 HydrophobicContact CD1-CG 4.48Å; L272-Q276 WeakPolarHBondContact O-CG 3.17Å; L272-Q276 PolarHBondContact O-N 3.14Å; L272-D306 HydrophobicContact CD1-CB 3.88Å; L272-D306 HydrophobicContact CD2-CB 3.8Å; L272-D306 HydrophobicContact CG-CB 4.32Å; L272-I307 HydrophobicContact CB-CG1 4.45Å; L272-I307 HydrophobicContact CD1-CG1 4.36Å; L272-L310 HydrophobicContact CD1-CB 4.32Å; L272-L310 HydrophobicContact CD1-CD2 3.97Å
273K96.1Very high92.2Very high95 Ų9549.6 Ų49.641%0.41327%0.265SS..Hα-helixtrans-62.9-42.8-179.3-169.963.3179174.80112.3H231 G269 R270 Y271 Q276 M277H231-K273 HydrophobicContact CB-CB 4.24Å; H231-K273 HydrophobicContact CB-CG 3.91Å; G269-K273 PolarHBondContact O-N 3.22Å; G269-K273 VanDerWaalsContact O-N 3.11Å; R270-K273 PolarHBondContact O-N 3.47Å; Y271-K273 VanDerWaalsContact C-N 3.31Å; Y271-K273 PolarHBondContact O-N 2.91Å; K273-Q276 PolarHBondContact O-N 2.75Å; K273-M277 HydrophobicContact CG-CE 4.35Å; K273-M277 HydrophobicContact CG-SD 4.29Å; K273-M277 WeakPolarHBondContact O-CG 3.21Å; K273-M277 PolarHBondContact O-N 2.8Å
274V96.6Very high92.7Very high0 Ų052.5 Ų52.50%028%0.281CS..Hα-helixtrans-59.1-49.1173.5165.70000111.4A226 H231 V234 A258 R270 Y271 L272 Q276 M277 L278A226-V274 HydrophobicContact CB-CG1 4.04Å; H231-V274 HydrophobicContact CB-CG2 3.97Å; V234-V274 HydrophobicContact CG2-CG1 4.11Å; V234-V274 HydrophobicContact CG2-CG2 4.16Å; A258-V274 HydrophobicContact CB-CG1 3.92Å; R270-V274 PolarHBondContact O-N 2.84Å; R270-V274 VanDerWaalsContact O-N 3.11Å; Y271-V274 PolarHBondContact O-N 3.05Å; L272-V274 PolarHBondContact O-N 3.45Å; V274-Q276 VanDerWaalsContact C-N 3.32Å; V274-Q276 PolarHBondContact O-N 2.97Å; V274-M277 PolarHBondContact O-N 3.18Å; V274-L278 HydrophobicContact CG1-CD1 3.8Å; V274-L278 HydrophobicContact CG1-CG 4.38Å; V274-L278 WeakPolarHBondContact O-CG 3.41Å; V274-L278 PolarHBondContact O-N 3.38Å
275C96.4Very high93.2Very high0 Ų047.5 Ų47.50%026%0.258CS..Hα-helixtrans-61.9-41.2179.9-65.50000111.4L255 Y271 L272 L278 L279 L310L255-C275 HydrophobicContact CD1-CB 4.02Å; Y271-C275 WeakPolarHBondContact O-CB 3.45Å; Y271-C275 PolarHBondContact O-N 3.47Å; Y271-C275 PolarHBondContact O-SG 3.38Å; L272-C275 PolarHBondContact O-N 3.1Å; C275-L278 PolarHBondContact O-N 2.93Å; C275-L279 WeakPolarHBondContact O-CB 3.4Å; C275-L279 WeakPolarHBondContact O-CD1 3.48Å; C275-L279 WeakPolarHBondContact O-CG 3.44Å; C275-L279 PolarHBondContact O-N 3.27Å; C275-L310 HydrophobicContact CB-CD2 3.99Å
276Q96.9Very high93.6Very high62 Ų6247.2 Ų47.229%0.2926%0.256SS..Hα-helixtrans-58.1-50.2173.9-72.5173.2-7.900111.5L272 K273 V274 L278 L279 D280 L310L272-Q276 HydrophobicContact CD1-CG 4.48Å; L272-Q276 WeakPolarHBondContact O-CG 3.17Å; L272-Q276 PolarHBondContact O-N 3.14Å; K273-Q276 PolarHBondContact O-N 2.75Å; V274-Q276 VanDerWaalsContact C-N 3.32Å; V274-Q276 PolarHBondContact O-N 2.97Å; Q276-L278 PolarHBondContact O-N 2.94Å; Q276-L279 PolarHBondContact O-N 2.85Å; Q276-D280 WeakPolarHBondContact O-CB 3.49Å; Q276-D280 PolarHBondContact O-N 3.49Å; Q276-L310 HydrophobicContact CB-CD2 4.4Å; Q276-L310 HydrophobicContact CG-CD1 4.09Å; Q276-L310 HydrophobicContact CG-CD2 3.53Å; Q276-L310 HydrophobicContact CG-CG 4.48Å
277M97.3Very high93.9Very high31 Ų3141.7 Ų41.715%0.15323%0.233CC..Hα-helixtrans-59.9-43.4179.4-73.4168.1155.500112.5H231 V234 E235 L238 K273 V274 A281H231-M277 HydrophobicContact CB-CE 4.35Å; H231-M277 HydrophobicContact CB-SD 3.91Å; V234-M277 HydrophobicContact CG1-CB 4.21Å; E235-M277 HydrophobicContact CB-CE 3.9Å; E235-M277 HydrophobicContact CB-SD 4.34Å; E235-M277 HydrophobicContact CG-CE 4.42Å; L238-M277 HydrophobicContact CD1-CB 4.43Å; K273-M277 HydrophobicContact CG-CE 4.35Å; K273-M277 HydrophobicContact CG-SD 4.29Å; K273-M277 WeakPolarHBondContact O-CG 3.21Å; K273-M277 PolarHBondContact O-N 2.8Å; V274-M277 PolarHBondContact O-N 3.18Å; M277-A281 VanDerWaalsContact O-CB 3.3Å; M277-A281 WeakPolarHBondContact O-CB 3.37Å; M277-A281 PolarHBondContact O-N 3.4Å
278L97Very high94.2Very high0 Ų041.8 Ų41.80%024%0.236CC..Hα-helixtrans-65-43.7177.7-69.1171.4000111.6L222 A226 V234 L238 V244 P254 L255 V274 C275 Q276 A281 G282 A283L222-L278 HydrophobicContact CD1-CD2 4.19Å; L222-L278 HydrophobicContact CD2-CD2 4.06Å; L222-L278 HydrophobicContact CG-CD2 4.25Å; A226-L278 HydrophobicContact CB-CD1 4.21Å; V234-L278 HydrophobicContact CG1-CD2 4.11Å; V234-L278 HydrophobicContact CG1-CG 4.29Å; L238-L278 HydrophobicContact CD2-CD2 4.49Å; V244-L278 HydrophobicContact CG1-CD2 4.33Å; P254-L278 HydrophobicContact CB-CD1 4.21Å; P254-L278 HydrophobicContact CB-CD2 4.17Å; L255-L278 HydrophobicContact CB-CD1 4.28Å; L255-L278 HydrophobicContact CD1-CB 4.37Å; L255-L278 HydrophobicContact CD1-CD1 4.39Å; V274-L278 HydrophobicContact CG1-CD1 3.8Å; V274-L278 HydrophobicContact CG1-CG 4.38Å; V274-L278 WeakPolarHBondContact O-CG 3.41Å; V274-L278 PolarHBondContact O-N 3.38Å; C275-L278 PolarHBondContact O-N 2.93Å; Q276-L278 PolarHBondContact O-N 2.94Å; L278-A281 CarbonylContact O-C 3.58Å; L278-A281 PolarHBondContact O-N 3.03Å; L278-G282 PolarHBondContact O-N 3.26Å; L278-A283 HydrophobicContact CB-CB 4.15Å; L278-A283 WeakPolarHBondContact O-CB 3.14Å; L278-A283 PolarHBondContact O-N 3.07Å
279L96.1Very high94.4Very high16 Ų1641.8 Ų41.88%0.08424%0.236CC..Hα-helixtrans-67.4-38.2178.7-69.1166.1000112.4L255 C275 Q276 A281 G282 A283 V285 L310 L311 K314L255-L279 HydrophobicContact CD1-CD2 4.46Å; L255-L279 HydrophobicContact CD1-CG 4.24Å; L255-L279 HydrophobicContact CD2-CD2 3.76Å; L255-L279 HydrophobicContact CD2-CG 4.41Å; C275-L279 WeakPolarHBondContact O-CB 3.4Å; C275-L279 WeakPolarHBondContact O-CD1 3.48Å; C275-L279 WeakPolarHBondContact O-CG 3.44Å; C275-L279 PolarHBondContact O-N 3.27Å; Q276-L279 PolarHBondContact O-N 2.85Å; L279-A281 VanDerWaalsContact C-N 3.27Å; L279-G282 PolarHBondContact O-N 2.89Å; L279-G282 VanDerWaalsContact O-N 3.09Å; L279-A283 HydrophobicContact CD2-CB 4.47Å; L279-V285 HydrophobicContact CD2-CG1 3.23Å; L279-L310 HydrophobicContact CD1-CD1 4.43Å; L279-L310 HydrophobicContact CD1-CD2 3.69Å; L279-L310 HydrophobicContact CD1-CG 3.78Å; L279-L311 HydrophobicContact CD1-CD2 4.29Å; L279-K314 HydrophobicContact CD1-CG 4.26Å
280D95.8Very high94.4Very high119 Ų11945.3 Ų45.364%0.63624%0.239SC*.Hα-helixtrans-71.2-26.4175.8-67.2-19.9000111.6Q276 G282 K314Q276-D280 WeakPolarHBondContact O-CB 3.49Å; Q276-D280 PolarHBondContact O-N 3.49Å; D280-G282 PolarHBondContact O-N 3.21Å; D280-K314 IonicContact OD1-NZ 2.64Å; D280-K314 PolarHBondContact OD1-NZ 3.3Å
281A95.5Very high94.2Very high48 Ų4843.6 Ų43.640%0.39724%0.236SC..THydrogen-bonded Turntrans-78.4-0.5169.300000113.9L238 V244 M277 L278 L279L238-A281 HydrophobicContact CD1-CB 3.95Å; L238-A281 HydrophobicContact CD2-CB 3.94Å; V244-A281 HydrophobicContact CG1-CB 4.45Å; V244-A281 HydrophobicContact CG2-CB 4.02Å; M277-A281 VanDerWaalsContact O-CB 3.3Å; M277-A281 WeakPolarHBondContact O-CB 3.37Å; M277-A281 PolarHBondContact O-N 3.4Å; L278-A281 CarbonylContact O-C 3.58Å; L278-A281 PolarHBondContact O-N 3.03Å; L279-A281 VanDerWaalsContact C-N 3.27Å
282G94.3Very high94.1Very high52 Ų5248.6 Ų48.654%0.53626%0.258SS..THydrogen-bonded Turntrans98.616.4173.300000115.9L278 L279 D280L278-G282 PolarHBondContact O-N 3.26Å; L279-G282 PolarHBondContact O-N 2.89Å; L279-G282 VanDerWaalsContact O-N 3.09Å; D280-G282 PolarHBondContact O-N 3.21Å
283A95.8Very high93.9Very high10 Ų1050.1 Ų50.18%0.08326%0.261CS..  trans-57.2137.1177.300000112.8V244 D245 L255 L278 L279 V285V244-A283 HydrophobicContact CG1-CB 3.56Å; D245-A283 VanDerWaalsContact OD1-CA 3.31Å; D245-A283 WeakPolarHBondContact OD1-CA 3.46Å; L255-A283 HydrophobicContact CB-CB 4.34Å; L255-A283 HydrophobicContact CD2-CB 4.18Å; L278-A283 HydrophobicContact CB-CB 4.15Å; L278-A283 WeakPolarHBondContact O-CB 3.14Å; L278-A283 PolarHBondContact O-N 3.07Å; L279-A283 HydrophobicContact CD2-CB 4.47Å; A283-V285 PolarHBondContact O-N 3.38Å
284D94.6Very high93.8Very high69 Ų6945.6 Ų45.637%0.36924%0.242SC..  trans-80.5116177.3-178.414.5000112.3D245 H286 T287D245-D284 PolarHBondContact OD1-N 3.33Å; D284-H286 PolarHBondContact O-N 2.84Å; D284-H286 WeakPolarHBondContact OD1-CB 3.39Å; D284-H286 IonicContact OD1-CD2 2.72Å; D284-H286 IonicContact OD1-CG 2.76Å; D284-H286 PolarHBondContact OD1-N 2.92Å; D284-T287 WeakPolarHBondContact CB-OG1 3.49Å; D284-T287 PolarHBondContact O-N 2.85Å; D284-T287 PolarHBondContact O-OG1 2.93Å; D284-T287 VanDerWaalsContact O-OG1 3.1Å
285V94.9Very high93.7Very high10 Ų1045.6 Ų45.66%0.06124%0.242CC..THydrogen-bonded Turntrans-68.9-15.1176.4-670000114.3L255 L279 A283 P295 L311 K314L255-V285 HydrophobicContact CD2-CG1 4.47Å; L279-V285 HydrophobicContact CD2-CG1 3.23Å; A283-V285 PolarHBondContact O-N 3.38Å; V285-P295 WeakPolarHBondContact O-CD 3.4Å; V285-L311 HydrophobicContact CG1-CD2 4.08Å; V285-K314 HydrophobicContact CG1-CB 4.06Å
286H92.1Very high93.7Very high79 Ų7945.6 Ų45.637%0.36624%0.242SC..THydrogen-bonded Turntrans-96.8-3.9-177.2-60.4-66.2000113.5D284 K288 G315 S317D284-H286 PolarHBondContact O-N 2.84Å; D284-H286 WeakPolarHBondContact OD1-CB 3.39Å; D284-H286 IonicContact OD1-CD2 2.72Å; D284-H286 IonicContact OD1-CG 2.76Å; D284-H286 PolarHBondContact OD1-N 2.92Å; H286-K288 PolarHBondContact O-N 2.86Å; H286-G315 PolarHBondContact CE1-O 3.41Å; H286-G315 VanDerWaalsContact CE1-O 3.22Å; H286-S317 PolarHBondContact ND1-OG 3.32Å
287T91.9Very high93.5Very high20 Ų2042.7 Ų42.712%0.12323%0.228CC..  trans-59.5132.8-179.5-510000111Q247 T253 D284 P295Q247-T287 HydrophobicContact CG-CG2 4.38Å; Q247-T287 VanDerWaalsContact NE2-CG2 3.27Å; T253-T287 HydrophobicContact CG2-CG2 3.52Å; D284-T287 WeakPolarHBondContact CB-OG1 3.49Å; D284-T287 PolarHBondContact O-N 2.85Å; D284-T287 PolarHBondContact O-OG1 2.93Å; D284-T287 VanDerWaalsContact O-OG1 3.1Å; T287-P295 WeakPolarHBondContact O-CD 3.41Å
288K91.2Very high93.3Very high88 Ų8841.7 Ų41.738%0.38322%0.223SC..  trans-110137.5-178.6-67.7-179.9-173.3-178.50109.8Q247 H286 K292 R293 T294Q247-K288 PolarHBondContact NE2-O 3.41Å; H286-K288 PolarHBondContact O-N 2.86Å; K288-K292 HydrophobicContact CD-CB 4.43Å; K288-R293 WeakPolarHBondContact CA-O 3.15Å; K288-T294 HydrophobicContact CG-CG2 3.99Å
289D90.1Very high93.1Very high10 Ų1041.7 Ų41.75%0.05322%0.223CC..  trans-75.8-178.2169.376.3-1.7000111.8L252 D291 K292 R293 M298L252-D289 HydrophobicContact CD2-CB 3.62Å; L252-D289 HydrophobicContact CG-CB 4.49Å; D289-D291 PolarHBondContact O-N 3.21Å; D289-D291 VanDerWaalsContact OD1-C 3.3Å; D289-D291 WeakPolarHBondContact OD1-CA 3.48Å; D289-D291 PolarHBondContact OD1-N 3.39Å; D289-K292 WeakPolarHBondContact O-CA 3.46Å; D289-K292 PolarHBondContact O-N 2.95Å; D289-K292 PolarHBondContact OD1-N 2.89Å; D289-K292 VanDerWaalsContact OD1-N 3.08Å; D289-R293 PolarHBondContact N-O 3.1Å; D289-R293 WeakPolarHBondContact OD1-CB 3.18Å; D289-R293 PolarHBondContact OD1-N 3.3Å; D289-R293 IonicContact OD1-NE 3.73Å; D289-R293 IonicContact OD2-CZ 2.86Å; D289-R293 IonicContact OD2-NE 3.97Å; D289-R293 PolarHBondContact OD2-NE 3.02Å; D289-R293 IonicContact OD2-NH2 3.83Å; D289-R293 PolarHBondContact OD2-NH2 3.45Å; D289-M298 HydrophobicContact CB-CE 4.13Å; D289-M298 WeakPolarHBondContact OD2-CE 3.34Å
290Q89.1Confident93Very high122 Ų12241 Ų4157%0.5722%0.219SC*.THydrogen-bonded Turntrans-57.1-33.1177-77.1-178.37.600114.1N249 E250 K292N249-Q290 PolarHBondContact O-NE2 3.29Å; E250-Q290 WeakPolarHBondContact O-CG 3.08Å; E250-Q290 PolarHBondContact O-N 3.22Å; Q290-K292 PolarHBondContact O-N 3.23Å
291D88.4Confident92.7Very high43 Ų4340.8 Ų40.823%0.2321%0.213CC..THydrogen-bonded Turntrans-839.5176.8-77.1-35.4000111.9K29 D289 R293 Y323K29-D291 IonicContact NZ-OD1 3.72Å; D289-D291 PolarHBondContact O-N 3.21Å; D289-D291 VanDerWaalsContact OD1-C 3.3Å; D289-D291 WeakPolarHBondContact OD1-CA 3.48Å; D289-D291 PolarHBondContact OD1-N 3.39Å; D291-R293 HydrophobicContact CB-CG 3.94Å; D291-R293 PolarHBondContact O-N 3.17Å; D291-R293 IonicContact OD2-CZ 3.84Å; D291-R293 VanDerWaalsContact OD2-CZ 3.31Å; D291-R293 IonicContact OD2-NE 2.65Å; D291-R293 IonicContact OD2-NH1 3.26Å; D291-R293 PolarHBondContact OD2-NH1 3.48Å; D291-R293 IonicContact OD2-NH2 3.77Å; D291-R293 PolarHBondContact OD2-NH2 3.12Å; D291-Y323 WeakPolarHBondContact O-CB 3.42Å; D291-Y323 PolarHBondContact O-N 3.26Å
292K91.3Very high92.4Very high113 Ų11339 Ų3949%0.49120%0.197SC..  trans6217.4-174.5-60.4-177.9178176.60114.7K288 D289 Q290K288-K292 HydrophobicContact CD-CB 4.43Å; D289-K292 WeakPolarHBondContact O-CA 3.46Å; D289-K292 PolarHBondContact O-N 2.95Å; D289-K292 PolarHBondContact OD1-N 2.89Å; D289-K292 VanDerWaalsContact OD1-N 3.08Å; Q290-K292 PolarHBondContact O-N 3.23Å
293R91.6Very high92.2Very high65 Ų6536.6 Ų36.625%0.24517%0.171CC..  trans-79.1135178-57.2177-59.4-154.30.7109.4K288 D289 D291 H297 M298 D322K288-R293 WeakPolarHBondContact CA-O 3.15Å; D289-R293 PolarHBondContact N-O 3.1Å; D289-R293 WeakPolarHBondContact OD1-CB 3.18Å; D289-R293 PolarHBondContact OD1-N 3.3Å; D289-R293 IonicContact OD1-NE 3.73Å; D289-R293 IonicContact OD2-CZ 2.86Å; D289-R293 IonicContact OD2-NE 3.97Å; D289-R293 PolarHBondContact OD2-NE 3.02Å; D289-R293 IonicContact OD2-NH2 3.83Å; D289-R293 PolarHBondContact OD2-NH2 3.45Å; D291-R293 HydrophobicContact CB-CG 3.94Å; D291-R293 PolarHBondContact O-N 3.17Å; D291-R293 IonicContact OD2-CZ 3.84Å; D291-R293 VanDerWaalsContact OD2-CZ 3.31Å; D291-R293 IonicContact OD2-NE 2.65Å; D291-R293 IonicContact OD2-NH1 3.26Å; D291-R293 PolarHBondContact OD2-NH1 3.48Å; D291-R293 IonicContact OD2-NH2 3.77Å; D291-R293 PolarHBondContact OD2-NH2 3.12Å; R293-H297 HydrophobicContact CB-CB 4.02Å; R293-M298 HydrophobicContact CB-CE 4.2Å; R293-D322 HydrophobicContact CG-CB 3.78Å
294T93.9Very high92Very high1 Ų136.1 Ų36.11%0.00617%0.167CC..  trans-91.1166.2173.266.90000110.5K288 L296 H297 M298 N320K288-T294 HydrophobicContact CG-CG2 3.99Å; T294-L296 PolarHBondContact O-N 3.4Å; T294-L296 VanDerWaalsContact O-N 3.1Å; T294-H297 PolarHBondContact N-ND1 3.08Å; T294-H297 VanDerWaalsContact N-ND1 3.18Å; T294-H297 WeakPolarHBondContact O-CB 3.4Å; T294-H297 PolarHBondContact O-N 2.76Å; T294-H297 PolarHBondContact OG1-ND1 3.33Å; T294-M298 PolarHBondContact O-N 3.38Å; T294-N320 HydrophobicContact CG2-CB 4.31Å
295P94.5Very high91.9Very high0 Ų033 Ų330%015%0.151CC..Hα-helixtrans-53.7-34.2174.3-9.45.9000112.6L255 N256 V285 T287 H297 M298 A299 L311L255-P295 HydrophobicContact CD2-CB 4.29Å; L255-P295 HydrophobicContact CD2-CG 3.93Å; L255-P295 HydrophobicContact CG-CB 4.27Å; L255-P295 HydrophobicContact CG-CG 4.3Å; N256-P295 WeakPolarHBondContact OD1-CB 3.46Å; N256-P295 WeakPolarHBondContact OD1-CD 3.27Å; N256-P295 WeakPolarHBondContact OD1-CG 2.93Å; V285-P295 WeakPolarHBondContact O-CD 3.4Å; T287-P295 WeakPolarHBondContact O-CD 3.41Å; P295-H297 PolarHBondContact O-N 3.37Å; P295-M298 PolarHBondContact O-N 3.01Å; P295-A299 WeakPolarHBondContact O-CB 3.21Å; P295-A299 PolarHBondContact O-N 3.24Å; P295-L311 HydrophobicContact CB-CD1 3.99Å; P295-L311 HydrophobicContact CB-CD2 4.16Å
296L95.4Very high91.9Very high0 Ų035 Ų350%016%0.161CC..Hα-helixtrans-63.6-38.6176.4-175.164.7000112.5T294 M298 A299 C300 A308 L311 L312 V318 P328 L351T294-L296 PolarHBondContact O-N 3.4Å; T294-L296 VanDerWaalsContact O-N 3.1Å; L296-M298 VanDerWaalsContact C-N 3.28Å; L296-M298 PolarHBondContact O-N 2.97Å; L296-A299 PolarHBondContact O-N 3.43Å; L296-C300 WeakPolarHBondContact O-CB 3.21Å; L296-C300 PolarHBondContact O-N 3.44Å; L296-C300 PolarHBondContact O-SG 3.03Å; L296-A308 HydrophobicContact CD1-CB 4.37Å; L296-L311 HydrophobicContact CB-CD1 4.36Å; L296-L311 HydrophobicContact CD1-CB 4.32Å; L296-L311 HydrophobicContact CD1-CD1 4.46Å; L296-L312 HydrophobicContact CD1-CD2 4.26Å; L296-L312 HydrophobicContact CD1-CG 4.22Å; L296-L312 HydrophobicContact CD2-CD2 3.86Å; L296-V318 HydrophobicContact CD2-CG1 4.45Å; L296-P328 HydrophobicContact CD2-CB 4.17Å; L296-P328 HydrophobicContact CD2-CG 3.94Å; L296-P328 HydrophobicContact CG-CB 4.04Å; L296-P328 HydrophobicContact CG-CG 4.1Å; L296-L351 HydrophobicContact CD1-CD2 4.45Å; L296-L351 HydrophobicContact CD2-CD2 4.13Å
297H93.8Very high92Very high1 Ų131.2 Ų31.21%0.00514%0.144CC..Hα-helixtrans-60.3-41.7175.1-71.679.3000111.4R293 T294 P295 K301 N320 E326 P328 N331R293-H297 HydrophobicContact CB-CB 4.02Å; T294-H297 PolarHBondContact N-ND1 3.08Å; T294-H297 VanDerWaalsContact N-ND1 3.18Å; T294-H297 WeakPolarHBondContact O-CB 3.4Å; T294-H297 PolarHBondContact O-N 2.76Å; T294-H297 PolarHBondContact OG1-ND1 3.33Å; P295-H297 PolarHBondContact O-N 3.37Å; H297-K301 WeakPolarHBondContact O-CB 3.41Å; H297-K301 PolarHBondContact O-N 3.24Å; H297-N320 PolarHBondContact CE1-O 3.02Å; H297-N320 PolarHBondContact NE2-O 3.14Å; H297-E326 PolarHBondContact NE2-O 3.2Å; H297-P328 WeakPolarHBondContact NE2-CD 3.33Å; H297-N331 PolarHBondContact O-ND2 2.57Å
298M92.6Very high92.1Very high9 Ų930.2 Ų30.24%0.04414%0.138CC..Hα-helixtrans-70.8-43.4-179.2-61.2173.6-176.900111.4L252 N256 C259 A260 D289 R293 T294 P295 L296 C300 K301 N302L252-M298 HydrophobicContact CD2-CE 3.36Å; L252-M298 HydrophobicContact CD2-SD 4.33Å; N256-M298 HydrophobicContact CB-CE 4.12Å; N256-M298 HydrophobicContact CB-SD 3.82Å; C259-M298 HydrophobicContact CB-CB 3.77Å; C259-M298 CarbonylContact O-C 3.52Å; C259-M298 WeakPolarHBondContact O-CB 3.5Å; A260-M298 HydrophobicContact CB-SD 3.88Å; D289-M298 HydrophobicContact CB-CE 4.13Å; D289-M298 WeakPolarHBondContact OD2-CE 3.34Å; R293-M298 HydrophobicContact CB-CE 4.2Å; T294-M298 PolarHBondContact O-N 3.38Å; P295-M298 PolarHBondContact O-N 3.01Å; L296-M298 VanDerWaalsContact C-N 3.28Å; L296-M298 PolarHBondContact O-N 2.97Å; M298-C300 PolarHBondContact O-N 3.38Å; M298-K301 PolarHBondContact O-N 2.99Å; M298-N302 PolarHBondContact O-N 3.39Å; M298-N302 PolarHBondContact O-ND2 2.91Å
299A93.1Very high92.3Very high1 Ų128.8 Ų28.81%0.00814%0.135CC..Hα-helixtrans-59.9-42.8174.800000112.3P295 L296 N302 A303 N304 I307 L311P295-A299 WeakPolarHBondContact O-CB 3.21Å; P295-A299 PolarHBondContact O-N 3.24Å; L296-A299 PolarHBondContact O-N 3.43Å; A299-N302 PolarHBondContact O-N 3.46Å; A299-A303 PolarHBondContact O-N 3.03Å; A299-A303 VanDerWaalsContact O-N 3.08Å; A299-N304 PolarHBondContact O-N 3.18Å; A299-I307 HydrophobicContact CB-CB 4.41Å; A299-I307 HydrophobicContact CB-CG2 3.79Å; A299-L311 HydrophobicContact CB-CD1 4Å
300C92.7Very high92.6Very high0 Ų029.6 Ų29.60%014%0.139CC..Hα-helixtrans-65.1-41.2175.1-69.90000112.3L296 M298 N302 A303 P328 N331 I332L296-C300 WeakPolarHBondContact O-CB 3.21Å; L296-C300 PolarHBondContact O-N 3.44Å; L296-C300 PolarHBondContact O-SG 3.03Å; M298-C300 PolarHBondContact O-N 3.38Å; C300-N302 VanDerWaalsContact C-N 3.27Å; C300-N302 PolarHBondContact O-N 3.23Å; C300-A303 PolarHBondContact O-N 3.11Å; C300-P328 HydrophobicContact CB-CB 4.47Å; C300-P328 WeakPolarHBondContact CB-O 3.46Å; C300-N331 HydrophobicContact CB-CB 4.2Å; C300-I332 HydrophobicContact CB-CB 4.14Å; C300-I332 WeakPolarHBondContact O-CD1 3.32Å
301K90.7Very high92.9Very high116 Ų11623.8 Ų23.850%0.50411%0.112SC..Hα-helixtrans-63.1-33.3175.9-176-179.3176.5-174.10112.3H297 M298 N331 V335H297-K301 WeakPolarHBondContact O-CB 3.41Å; H297-K301 PolarHBondContact O-N 3.24Å; M298-K301 PolarHBondContact O-N 2.99Å; K301-N331 HydrophobicContact CB-CB 4.39Å; K301-V335 WeakPolarHBondContact O-CG2 3.38Å
302N88.5Confident93.2Very high11 Ų1122 Ų226%0.05910%0.102CC..Hα-helixtrans-88.6-6.5179.2-77.3-42.4000114.4C259 A260 Q261 M298 A299 C300 K339C259-N302 PolarHBondContact O-ND2 3.32Å; A260-N302 PolarHBondContact O-ND2 3.27Å; Q261-N302 PolarHBondContact O-ND2 3.07Å; M298-N302 PolarHBondContact O-N 3.39Å; M298-N302 PolarHBondContact O-ND2 2.91Å; A299-N302 PolarHBondContact O-N 3.46Å; C300-N302 VanDerWaalsContact C-N 3.27Å; C300-N302 PolarHBondContact O-N 3.23Å; N302-K339 PolarHBondContact O-NZ 3.49Å
303A90.5Very high93.3Very high0 Ų020.4 Ų20.40%011%0.11CC..THydrogen-bonded Turntrans53.851.5-174.900000112.3A299 C300 P305 I332 V335 K339 H342 I347A299-A303 PolarHBondContact O-N 3.03Å; A299-A303 VanDerWaalsContact O-N 3.08Å; C300-A303 PolarHBondContact O-N 3.11Å; A303-P305 WeakPolarHBondContact O-CD 2.86Å; A303-I332 HydrophobicContact CB-CD1 4Å; A303-V335 HydrophobicContact CB-CG1 4.25Å; A303-K339 HydrophobicContact CB-CB 4.21Å; A303-K339 HydrophobicContact CB-CD 4.03Å; A303-H342 HydrophobicContact CB-CB 3.96Å; A303-H342 WeakPolarHBondContact O-CB 3.4Å; A303-H342 PolarHBondContact O-ND1 2.86Å; A303-I347 HydrophobicContact CB-CD1 4.34Å
304N91.8Very high93.5Very high0 Ų022 Ų220%012%0.118CC..  trans-99.7103.9168.4-172.6-33.8000109.8Q263 L268 A299 D306 I307 A308Q263-N304 PolarHBondContact OE1-ND2 3.13Å; L268-N304 HydrophobicContact CD2-CB 3.95Å; L268-N304 WeakPolarHBondContact CD2-ND2 3.43Å; A299-N304 PolarHBondContact O-N 3.18Å; N304-D306 PolarHBondContact OD1-N 2.87Å; N304-D306 VanDerWaalsContact OD1-N 3.12Å; N304-I307 HydrophobicContact CB-CB 4.2Å; N304-I307 HydrophobicContact CB-CD1 4.13Å; N304-I307 HydrophobicContact CB-CG1 4.32Å; N304-I307 WeakPolarHBondContact ND2-CD1 3.28Å; N304-I307 WeakPolarHBondContact ND2-CG1 3.48Å; N304-I307 PolarHBondContact OD1-N 3.45Å; N304-I307 VanDerWaalsContact OD1-N 3.1Å; N304-A308 PolarHBondContact O-N 3.23Å; N304-A308 VanDerWaalsContact O-N 3.17Å
305P92.3Very high93.3Very high5 Ų524 Ų243%0.03214%0.14CC..Hα-helixtrans-66.3-39.7-176.326.7-34000112.8A303 I307 A308 D309 R346 I347A303-P305 WeakPolarHBondContact O-CD 2.86Å; P305-I307 PolarHBondContact O-N 2.86Å; P305-A308 PolarHBondContact O-N 2.91Å; P305-D309 WeakPolarHBondContact O-CB 3.46Å; P305-D309 VanDerWaalsContact O-CG 3.28Å; P305-D309 PolarHBondContact O-N 2.86Å; P305-R346 HydrophobicContact CB-CB 3.9Å; P305-I347 HydrophobicContact CB-CD1 4.44Å; P305-I347 HydrophobicContact CB-CG1 3.92Å
306D93.9Very high93.2Very high50 Ų5024.5 Ų24.527%0.26714%0.143SC..Hα-helixtrans-71.7-35.3-173.8-52.1-40.2000111.5L272 N304 L310 R346L272-D306 HydrophobicContact CD1-CB 3.88Å; L272-D306 HydrophobicContact CD2-CB 3.8Å; L272-D306 HydrophobicContact CG-CB 4.32Å; N304-D306 PolarHBondContact OD1-N 2.87Å; N304-D306 VanDerWaalsContact OD1-N 3.12Å; D306-L310 WeakPolarHBondContact O-CB 3.43Å; D306-L310 PolarHBondContact O-N 3.44Å; D306-R346 IonicContact OD1-CZ 3.2Å; D306-R346 IonicContact OD1-NH1 2.71Å; D306-R346 PolarHBondContact OD1-NH1 3.23Å; D306-R346 IonicContact OD1-NH2 3.87Å; D306-R346 PolarHBondContact OD1-NH2 2.54Å
307I94.7Very high93Very high0 Ų026.4 Ų26.40%016%0.156CC..Hα-helixtrans-68.2-41.6172.2-65.5176.5000110.6L272 A299 N304 P305 L310 L311L272-I307 HydrophobicContact CB-CG1 4.45Å; L272-I307 HydrophobicContact CD1-CG1 4.36Å; A299-I307 HydrophobicContact CB-CB 4.41Å; A299-I307 HydrophobicContact CB-CG2 3.79Å; N304-I307 HydrophobicContact CB-CB 4.2Å; N304-I307 HydrophobicContact CB-CD1 4.13Å; N304-I307 HydrophobicContact CB-CG1 4.32Å; N304-I307 WeakPolarHBondContact ND2-CD1 3.28Å; N304-I307 WeakPolarHBondContact ND2-CG1 3.48Å; N304-I307 PolarHBondContact OD1-N 3.45Å; N304-I307 VanDerWaalsContact OD1-N 3.1Å; P305-I307 PolarHBondContact O-N 2.86Å; I307-L310 PolarHBondContact O-N 3.38Å; I307-L311 HydrophobicContact CG2-CD1 3.77Å; I307-L311 HydrophobicContact CG2-CG 4.13Å; I307-L311 WeakPolarHBondContact O-CB 3.4Å; I307-L311 VanDerWaalsContact O-CG 3.26Å; I307-L311 WeakPolarHBondContact O-CG 3.49Å; I307-L311 PolarHBondContact O-N 2.98Å
308A95.1Very high93Very high0 Ų027 Ų270%016%0.16CC..Hα-helixtrans-60.8-47.4177.100000111.1L296 N304 P305 L310 L311 L312 I347L296-A308 HydrophobicContact CD1-CB 4.37Å; N304-A308 PolarHBondContact O-N 3.23Å; N304-A308 VanDerWaalsContact O-N 3.17Å; P305-A308 PolarHBondContact O-N 2.91Å; A308-L310 VanDerWaalsContact C-N 3.32Å; A308-L310 PolarHBondContact O-N 2.9Å; A308-L311 PolarHBondContact O-N 3.45Å; A308-L312 WeakPolarHBondContact O-CB 3.3Å; A308-L312 WeakPolarHBondContact O-CG 3.43Å; A308-L312 PolarHBondContact O-N 3.04Å; A308-I347 HydrophobicContact CB-CG1 4.07Å; A308-I347 HydrophobicContact CB-CG2 4.2Å
309D94.9Very high92.9Very high58 Ų5829.5 Ų29.531%0.3117%0.174SC..Hα-helixtrans-57.7-44.5175.8-70.5-23.3000111.1P305 L312 A313 R346 A350P305-D309 WeakPolarHBondContact O-CB 3.46Å; P305-D309 VanDerWaalsContact O-CG 3.28Å; P305-D309 PolarHBondContact O-N 2.86Å; D309-L312 PolarHBondContact O-N 3.49Å; D309-A313 WeakPolarHBondContact O-CB 3.44Å; D309-A313 PolarHBondContact O-N 3.36Å; D309-R346 IonicContact OD2-CZ 2.57Å; D309-R346 IonicContact OD2-NH2 3.57Å; D309-R346 PolarHBondContact OD2-NH2 3.38Å; D309-A350 VanDerWaalsContact OD1-CB 3.25Å; D309-A350 WeakPolarHBondContact OD1-CB 3.41Å
310L95.5Very high92.8Very high27 Ų2731.4 Ų31.414%0.14118%0.184CC..Hα-helixtrans-62.1-47.4177.3178.967000112.7L272 C275 Q276 L279 D306 I307 A308 L312 A313 K314L272-L310 HydrophobicContact CD1-CB 4.32Å; L272-L310 HydrophobicContact CD1-CD2 3.97Å; C275-L310 HydrophobicContact CB-CD2 3.99Å; Q276-L310 HydrophobicContact CB-CD2 4.4Å; Q276-L310 HydrophobicContact CG-CD1 4.09Å; Q276-L310 HydrophobicContact CG-CD2 3.53Å; Q276-L310 HydrophobicContact CG-CG 4.48Å; L279-L310 HydrophobicContact CD1-CD1 4.43Å; L279-L310 HydrophobicContact CD1-CD2 3.69Å; L279-L310 HydrophobicContact CD1-CG 3.78Å; D306-L310 WeakPolarHBondContact O-CB 3.43Å; D306-L310 PolarHBondContact O-N 3.44Å; I307-L310 PolarHBondContact O-N 3.38Å; A308-L310 VanDerWaalsContact C-N 3.32Å; A308-L310 PolarHBondContact O-N 2.9Å; L310-L312 VanDerWaalsContact C-N 3.34Å; L310-L312 PolarHBondContact O-N 2.95Å; L310-A313 PolarHBondContact O-N 2.8Å; L310-K314 WeakPolarHBondContact O-CG 3.25Å; L310-K314 PolarHBondContact O-N 3.04Å
311L95.5Very high92.7Very high0 Ų035.1 Ų35.10%020%0.202CC..Hα-helixtrans-65-39.5-179.9-70.3172.6000111.4L255 L279 V285 P295 L296 A299 I307 A308 K314 G315 S316L255-L311 HydrophobicContact CD2-CD2 4.35Å; L279-L311 HydrophobicContact CD1-CD2 4.29Å; V285-L311 HydrophobicContact CG1-CD2 4.08Å; P295-L311 HydrophobicContact CB-CD1 3.99Å; P295-L311 HydrophobicContact CB-CD2 4.16Å; L296-L311 HydrophobicContact CB-CD1 4.36Å; L296-L311 HydrophobicContact CD1-CB 4.32Å; L296-L311 HydrophobicContact CD1-CD1 4.46Å; A299-L311 HydrophobicContact CB-CD1 4Å; I307-L311 HydrophobicContact CG2-CD1 3.77Å; I307-L311 HydrophobicContact CG2-CG 4.13Å; I307-L311 WeakPolarHBondContact O-CB 3.4Å; I307-L311 VanDerWaalsContact O-CG 3.26Å; I307-L311 WeakPolarHBondContact O-CG 3.49Å; I307-L311 PolarHBondContact O-N 2.98Å; A308-L311 PolarHBondContact O-N 3.45Å; L311-K314 CarbonylContact O-C 3.55Å; L311-K314 PolarHBondContact O-N 2.93Å; L311-G315 PolarHBondContact O-N 3.04Å; L311-S316 WeakPolarHBondContact O-CB 3.06Å; L311-S316 PolarHBondContact O-N 2.88Å
312L94.8Very high92.7Very high5 Ų530.6 Ų30.63%0.02618%0.183CC..Hα-helixtrans-66-41.2175.7-68.6171.8000111.7L296 A308 D309 L310 K314 G315 V318 A350 L351 H354L296-L312 HydrophobicContact CD1-CD2 4.26Å; L296-L312 HydrophobicContact CD1-CG 4.22Å; L296-L312 HydrophobicContact CD2-CD2 3.86Å; A308-L312 WeakPolarHBondContact O-CB 3.3Å; A308-L312 WeakPolarHBondContact O-CG 3.43Å; A308-L312 PolarHBondContact O-N 3.04Å; D309-L312 PolarHBondContact O-N 3.49Å; L310-L312 VanDerWaalsContact C-N 3.34Å; L310-L312 PolarHBondContact O-N 2.95Å; L312-K314 PolarHBondContact O-N 3.29Å; L312-G315 PolarHBondContact O-N 3.32Å; L312-V318 HydrophobicContact CD2-CG1 3.27Å; L312-A350 HydrophobicContact CD1-CB 3.69Å; L312-L351 HydrophobicContact CD1-CD2 4.33Å; L312-L351 HydrophobicContact CD2-CD2 4.27Å; L312-H354 HydrophobicContact CD2-CB 4.2Å
313A94.6Very high92.7Very high79 Ų7937.8 Ų37.865%0.65321%0.211SC*.Hα-helixtrans-62.4-32.217500000112.6D309 L310 G315D309-A313 WeakPolarHBondContact O-CB 3.44Å; D309-A313 PolarHBondContact O-N 3.36Å; L310-A313 PolarHBondContact O-N 2.8Å; A313-G315 PolarHBondContact O-N 3.31Å
314K94Very high92.5Very high98 Ų9840.4 Ų40.443%0.42624%0.238SC..THydrogen-bonded Turntrans-84.99.5174.6-63.6-73.6-171.6162.60113.5L279 D280 V285 L310 L311 L312L279-K314 HydrophobicContact CD1-CG 4.26Å; D280-K314 IonicContact OD1-NZ 2.64Å; D280-K314 PolarHBondContact OD1-NZ 3.3Å; V285-K314 HydrophobicContact CG1-CB 4.06Å; L310-K314 WeakPolarHBondContact O-CG 3.25Å; L310-K314 PolarHBondContact O-N 3.04Å; L311-K314 CarbonylContact O-C 3.55Å; L311-K314 PolarHBondContact O-N 2.93Å; L312-K314 PolarHBondContact O-N 3.29Å
315G90.9Very high92.3Very high45 Ų4542.3 Ų42.346%0.46426%0.258SS..THydrogen-bonded Turntrans88.818170.800000115.5H286 L311 L312 A313 S317H286-G315 PolarHBondContact CE1-O 3.41Å; H286-G315 VanDerWaalsContact CE1-O 3.22Å; L311-G315 PolarHBondContact O-N 3.04Å; L312-G315 PolarHBondContact O-N 3.32Å; A313-G315 PolarHBondContact O-N 3.31Å; G315-S317 PolarHBondContact O-N 2.91Å
316S92.3Very high92.2Very high9 Ų944.7 Ų44.76%0.06327%0.269CS..  trans-58.3138.9178-164.50000112.3L311 V318L311-S316 WeakPolarHBondContact O-CB 3.06Å; L311-S316 PolarHBondContact O-N 2.88Å; S316-V318 PolarHBondContact O-N 3.5Å
317S91.8Very high92.1Very high40 Ų4042.4 Ų42.428%0.2826%0.256SS..  trans-75.8111.2-176.3-45.20000111.5H286 G315 N319 N320H286-S317 PolarHBondContact ND1-OG 3.32Å; G315-S317 PolarHBondContact O-N 2.91Å; S317-N319 VanDerWaalsContact C-N 3.3Å; S317-N319 PolarHBondContact O-N 3.48Å; S317-N320 WeakPolarHBondContact CB-ND2 3.36Å
318V92.2Very high92Very high14 Ų1442.4 Ų42.49%0.08526%0.256CS..THydrogen-bonded Turntrans-66.1-24.8-178-71.60000115.4L296 L312 S316 P328 L351 H354L296-V318 HydrophobicContact CD2-CG1 4.45Å; L312-V318 HydrophobicContact CD2-CG1 3.27Å; S316-V318 PolarHBondContact O-N 3.5Å; V318-P328 VanDerWaalsContact O-CD 3.27Å; V318-P328 WeakPolarHBondContact O-CD 3.29Å; V318-L351 HydrophobicContact CG1-CD2 4.09Å; V318-H354 HydrophobicContact CG1-CB 3.76Å; V318-H354 WeakPolarHBondContact CG2-O 3.35Å
319N91.5Very high91.9Very high61 Ų6142.6 Ų42.633%0.32626%0.257SS..THydrogen-bonded Turntrans-113.212.9-171.2-65.5-38.9000113S317 M321 G355 S356 I357S317-N319 VanDerWaalsContact C-N 3.3Å; S317-N319 PolarHBondContact O-N 3.48Å; N319-M321 PolarHBondContact O-N 3.23Å; N319-G355 PolarHBondContact ND2-O 2.88Å; N319-S356 WeakPolarHBondContact OD1-CA 3.34Å; N319-I357 HydrophobicContact CB-CD1 4.1Å; N319-I357 HydrophobicContact CB-CG1 4.49Å; N319-I357 WeakPolarHBondContact OD1-CG1 3.45Å; N319-I357 PolarHBondContact OD1-N 3.39Å
320N90.9Very high91.7Very high41 Ų4143.9 Ų43.922%0.21926%0.261CS..  trans-64.6136.2171.1-82-6.2000108.8T294 H297 S317 P328T294-N320 HydrophobicContact CG2-CB 4.31Å; H297-N320 PolarHBondContact CE1-O 3.02Å; H297-N320 PolarHBondContact NE2-O 3.14Å; S317-N320 WeakPolarHBondContact CB-ND2 3.36Å; N320-P328 WeakPolarHBondContact O-CD 3.18Å
321M90.3Very high91.4Very high78 Ų7843.3 Ų43.338%0.38426%0.258SS..  trans-102136.2177.6-53.2-62.3-87.800108.7N319 G325 A327N319-M321 PolarHBondContact O-N 3.23Å; M321-G325 WeakPolarHBondContact CE-O 3.4Å; M321-A327 HydrophobicContact CE-CB 4.49Å; M321-A327 HydrophobicContact SD-CB 3.58Å; M321-A327 VanDerWaalsContact SD-CB 3.58Å
322D90.6Very high91.2Very high21 Ų2143.3 Ų43.311%0.11226%0.258CS..  trans-73.4-177.316973.16.6000111.6R293 G324 G325 E326R293-D322 HydrophobicContact CG-CB 3.78Å; D322-G324 PolarHBondContact O-N 3.15Å; D322-G324 VanDerWaalsContact OD1-CA 3.28Å; D322-G324 WeakPolarHBondContact OD1-CA 3.43Å; D322-G324 PolarHBondContact OD1-N 3.2Å; D322-G325 PolarHBondContact O-N 3.27Å; D322-G325 PolarHBondContact OD1-N 3.25Å; D322-G325 VanDerWaalsContact OD1-N 3.13Å; D322-E326 PolarHBondContact N-O 2.93Å; D322-E326 WeakPolarHBondContact OD1-CB 3.5Å; D322-E326 PolarHBondContact OD1-N 2.93Å
323Y87.9Confident91Very high162 Ų16243.7 Ų43.764%0.63526%0.26SS*.THydrogen-bonded Turntrans-61.1-27.5177.6-170.9-92.4000113.1D291 G325D291-Y323 WeakPolarHBondContact O-CB 3.42Å; D291-Y323 PolarHBondContact O-N 3.26Å; Y323-G325 PolarHBondContact O-N 3.3Å
324G86.6Confident90.6Very high55 Ų5544.5 Ų44.557%0.56725%0.249SC*.THydrogen-bonded Turntrans-76.1-6.3175.500000113.8D322 E326D322-G324 PolarHBondContact O-N 3.15Å; D322-G324 VanDerWaalsContact OD1-CA 3.28Å; D322-G324 WeakPolarHBondContact OD1-CA 3.43Å; D322-G324 PolarHBondContact OD1-N 3.2Å; G324-E326 VanDerWaalsContact C-N 3.33Å
325G88.4Confident90.3Very high41 Ų4140.9 Ų40.942%0.42324%0.235SC..SBendtrans71.533.2-17100000111.3M321 D322 Y323M321-G325 WeakPolarHBondContact CE-O 3.4Å; D322-G325 PolarHBondContact O-N 3.27Å; D322-G325 PolarHBondContact OD1-N 3.25Å; D322-G325 VanDerWaalsContact OD1-N 3.13Å; Y323-G325 PolarHBondContact O-N 3.3Å
326E89.1Confident90.1Very high55 Ų5538.7 Ų38.726%0.25721%0.213SC..  trans-108.8125.4178.8-53-165.2152.300109.8H297 D322 G324 H330 N331 K334H297-E326 PolarHBondContact NE2-O 3.2Å; D322-E326 PolarHBondContact N-O 2.93Å; D322-E326 WeakPolarHBondContact OD1-CB 3.5Å; D322-E326 PolarHBondContact OD1-N 2.93Å; G324-E326 VanDerWaalsContact C-N 3.33Å; E326-H330 HydrophobicContact CB-CB 4.18Å; E326-N331 PolarHBondContact OE2-OD1 3.32Å; E326-K334 IonicContact OE1-NZ 3.28Å; E326-K334 PolarHBondContact OE1-NZ 2.9Å; E326-K334 IonicContact OE2-NZ 3.01Å; E326-K334 PolarHBondContact OE2-NZ 2.85Å
327A92.2Very high89.6Confident1 Ų139.8 Ų39.81%0.00822%0.22CC..  trans-78.3161.1169.200000110.7M321 M329 H330 N331M321-A327 HydrophobicContact CE-CB 4.49Å; M321-A327 HydrophobicContact SD-CB 3.58Å; M321-A327 VanDerWaalsContact SD-CB 3.58Å; A327-M329 PolarHBondContact O-N 3.07Å; A327-M329 VanDerWaalsContact O-N 3.07Å; A327-H330 WeakPolarHBondContact CB-ND1 2.85Å; A327-H330 PolarHBondContact N-ND1 3.39Å; A327-H330 VanDerWaalsContact N-ND1 3.11Å; A327-H330 WeakPolarHBondContact O-CB 3.43Å; A327-H330 PolarHBondContact O-N 3.19Å; A327-N331 PolarHBondContact O-N 3.2Å
328P92.6Very high89.2Confident0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-49.5-36.2172.3-27.433.3000114.2L296 H297 C300 V318 N320 H330 N331 I332 L351L296-P328 HydrophobicContact CD2-CB 4.17Å; L296-P328 HydrophobicContact CD2-CG 3.94Å; L296-P328 HydrophobicContact CG-CB 4.04Å; L296-P328 HydrophobicContact CG-CG 4.1Å; H297-P328 WeakPolarHBondContact NE2-CD 3.33Å; C300-P328 HydrophobicContact CB-CB 4.47Å; C300-P328 WeakPolarHBondContact CB-O 3.46Å; V318-P328 VanDerWaalsContact O-CD 3.27Å; V318-P328 WeakPolarHBondContact O-CD 3.29Å; N320-P328 WeakPolarHBondContact O-CD 3.18Å; P328-H330 VanDerWaalsContact C-N 3.31Å; P328-H330 PolarHBondContact O-N 3.2Å; P328-N331 PolarHBondContact O-N 2.69Å; P328-I332 PolarHBondContact O-N 3.27Å; P328-L351 HydrophobicContact CB-CD2 4.26Å
329M92.6Very high88.8Confident4 Ų447.8 Ų47.82%0.0225%0.245CC..Hα-helixtrans-60.5-36.6174.8177159.1-79.900113.1A327 N331 I332 L333 V348 L351 L352 S356A327-M329 PolarHBondContact O-N 3.07Å; A327-M329 VanDerWaalsContact O-N 3.07Å; M329-N331 VanDerWaalsContact C-N 3.35Å; M329-I332 WeakPolarHBondContact O-CG2 3.37Å; M329-L333 HydrophobicContact CG-CD1 3.88Å; M329-L333 HydrophobicContact CG-CG 4.39Å; M329-L333 WeakPolarHBondContact O-CG 3.44Å; M329-L333 PolarHBondContact O-N 3.44Å; M329-V348 HydrophobicContact CE-CG1 4.29Å; M329-L351 HydrophobicContact CB-CD1 4.18Å; M329-L351 HydrophobicContact CE-CB 4.03Å; M329-L352 HydrophobicContact CE-CD1 4.33Å; M329-L352 HydrophobicContact CE-CD2 3.49Å; M329-L352 VanDerWaalsContact CE-CD2 3.49Å; M329-L352 HydrophobicContact CE-CG 3.52Å; M329-L352 HydrophobicContact SD-CD2 4.27Å; M329-S356 WeakPolarHBondContact CB-OG 3.2Å
330H91.1Very high88.4Confident85 Ų8547.6 Ų47.639%0.39425%0.246SC..Hα-helixtrans-67.4-38.7176.9-60.488.8000111.2E326 A327 P328 L333 K334E326-H330 HydrophobicContact CB-CB 4.18Å; A327-H330 WeakPolarHBondContact CB-ND1 2.85Å; A327-H330 PolarHBondContact N-ND1 3.39Å; A327-H330 VanDerWaalsContact N-ND1 3.11Å; A327-H330 WeakPolarHBondContact O-CB 3.43Å; A327-H330 PolarHBondContact O-N 3.19Å; P328-H330 VanDerWaalsContact C-N 3.31Å; P328-H330 PolarHBondContact O-N 3.2Å; H330-L333 PolarHBondContact O-N 2.93Å; H330-K334 WeakPolarHBondContact O-CG 3.49Å; H330-K334 PolarHBondContact O-N 3.17Å
331N89.7Confident88.1Confident15 Ų1549.3 Ų49.38%0.0826%0.261CS..Hα-helixtrans-64.4-43179.6-75.1-11.4000112.5H297 C300 K301 E326 A327 P328 M329 V335H297-N331 PolarHBondContact O-ND2 2.57Å; C300-N331 HydrophobicContact CB-CB 4.2Å; K301-N331 HydrophobicContact CB-CB 4.39Å; E326-N331 PolarHBondContact OE2-OD1 3.32Å; A327-N331 PolarHBondContact O-N 3.2Å; P328-N331 PolarHBondContact O-N 2.69Å; M329-N331 VanDerWaalsContact C-N 3.35Å; N331-V335 VanDerWaalsContact O-CG2 3.32Å; N331-V335 WeakPolarHBondContact O-CG2 3.35Å
332I91.3Very high87.9Confident0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-66.4-44.5176.7-176.261.4000111C300 A303 P328 M329 K334 V335 V336 P344 I347 V348 L351C300-I332 HydrophobicContact CB-CB 4.14Å; C300-I332 WeakPolarHBondContact O-CD1 3.32Å; A303-I332 HydrophobicContact CB-CD1 4Å; P328-I332 PolarHBondContact O-N 3.27Å; M329-I332 WeakPolarHBondContact O-CG2 3.37Å; I332-K334 VanDerWaalsContact C-N 3.25Å; I332-K334 PolarHBondContact O-N 3.05Å; I332-V335 WeakPolarHBondContact O-CA 3.21Å; I332-V335 PolarHBondContact O-N 3.42Å; I332-V336 WeakPolarHBondContact O-CG2 3.39Å; I332-V336 PolarHBondContact O-N 2.93Å; I332-V336 VanDerWaalsContact O-N 3.08Å; I332-P344 HydrophobicContact CD1-CB 3.75Å; I332-P344 HydrophobicContact CG1-CB 4.27Å; I332-I347 HydrophobicContact CB-CG2 4.15Å; I332-I347 HydrophobicContact CD1-CB 4.24Å; I332-I347 HydrophobicContact CD1-CD1 3.73Å; I332-I347 HydrophobicContact CD1-CG2 4.29Å; I332-I347 HydrophobicContact CG1-CB 4.07Å; I332-I347 HydrophobicContact CG1-CD1 4.48Å; I332-I347 HydrophobicContact CG1-CG2 3.93Å; I332-I347 HydrophobicContact CG2-CG2 4.35Å; I332-V348 HydrophobicContact CG1-CG2 3.95Å; I332-V348 HydrophobicContact CG2-CG2 3.92Å; I332-L351 HydrophobicContact CG2-CD1 3.93Å
333L89.8Confident87.8Confident14 Ų1449.5 Ų49.57%0.07326%0.26CS..Hα-helixtrans-61.4-30.7-177.4-70.4174000113.5M329 H330 V335 V336 V348 V359 V367 L381M329-L333 HydrophobicContact CG-CD1 3.88Å; M329-L333 HydrophobicContact CG-CG 4.39Å; M329-L333 WeakPolarHBondContact O-CG 3.44Å; M329-L333 PolarHBondContact O-N 3.44Å; H330-L333 PolarHBondContact O-N 2.93Å; L333-V335 VanDerWaalsContact C-N 3.26Å; L333-V335 PolarHBondContact O-N 3.49Å; L333-V336 HydrophobicContact CD2-CG2 4.46Å; L333-V348 HydrophobicContact CD2-CG2 4.34Å; L333-V359 HydrophobicContact CD1-CG2 3.72Å; L333-V367 HydrophobicContact CD1-CG1 4Å; L333-V367 HydrophobicContact CD2-CG1 4.01Å; L333-V367 HydrophobicContact CG-CG1 4.44Å; L333-L381 HydrophobicContact CD2-CD1 3.9Å; L333-L381 HydrophobicContact CD2-CD2 4.31Å
334K87.9Confident87.9Confident96 Ų9641.8 Ų41.842%0.41723%0.23SC..Hα-helixtrans-69.8-21.5172.8-72.1174.6178-174.60113.8E326 H330 I332 Y338E326-K334 IonicContact OE1-NZ 3.28Å; E326-K334 PolarHBondContact OE1-NZ 2.9Å; E326-K334 IonicContact OE2-NZ 3.01Å; E326-K334 PolarHBondContact OE2-NZ 2.85Å; H330-K334 WeakPolarHBondContact O-CG 3.49Å; H330-K334 PolarHBondContact O-N 3.17Å; I332-K334 VanDerWaalsContact C-N 3.25Å; I332-K334 PolarHBondContact O-N 3.05Å; K334-Y338 WeakPolarHBondContact O-CE2 3.41Å
335V87.6Confident88Confident21 Ų2140.2 Ų40.213%0.12721%0.208CC..Hα-helixtrans-104.3-18.5-171.41790000112.1K301 A303 N331 I332 L333 C337 Y338 K339K301-V335 WeakPolarHBondContact O-CG2 3.38Å; A303-V335 HydrophobicContact CB-CG1 4.25Å; N331-V335 VanDerWaalsContact O-CG2 3.32Å; N331-V335 WeakPolarHBondContact O-CG2 3.35Å; I332-V335 WeakPolarHBondContact O-CA 3.21Å; I332-V335 PolarHBondContact O-N 3.42Å; L333-V335 VanDerWaalsContact C-N 3.26Å; L333-V335 PolarHBondContact O-N 3.49Å; V335-C337 VanDerWaalsContact C-N 3.26Å; V335-C337 PolarHBondContact O-N 3.33Å; V335-C337 VanDerWaalsContact O-N 3.14Å; V335-Y338 PolarHBondContact O-N 3.48Å; V335-K339 HydrophobicContact CG1-CB 4.1Å; V335-K339 HydrophobicContact CG1-CD 3.91Å; V335-K339 HydrophobicContact CG1-CG 3.9Å; V335-K339 PolarHBondContact O-N 3.49Å; V335-K339 VanDerWaalsContact O-N 3.1Å
336V85.9Confident88.3Confident0 Ų042.6 Ų42.60%020%0.204CC..THydrogen-bonded Turntrans-46.2-47.4-178.6175.30000112.4I332 L333 Y338 V340 P344 C371 S374 T377I332-V336 WeakPolarHBondContact O-CG2 3.39Å; I332-V336 PolarHBondContact O-N 2.93Å; I332-V336 VanDerWaalsContact O-N 3.08Å; L333-V336 HydrophobicContact CD2-CG2 4.46Å; V336-Y338 VanDerWaalsContact C-N 3.3Å; V336-Y338 PolarHBondContact O-N 3.38Å; V336-V340 WeakPolarHBondContact O-CG2 3.28Å; V336-V340 PolarHBondContact O-N 3.07Å; V336-P344 HydrophobicContact CB-CG 4.44Å; V336-P344 HydrophobicContact CG1-CG 4.12Å; V336-P344 HydrophobicContact CG2-CB 4.12Å; V336-P344 HydrophobicContact CG2-CG 4.39Å; V336-C371 HydrophobicContact CG1-CB 4.27Å; V336-S374 VanDerWaalsContact CG1-CB 3.43Å; V336-T377 HydrophobicContact CG1-CG2 4.11Å; V336-T377 HydrophobicContact CG2-CG2 3.99Å
337C81Confident88.5Confident32 Ų3240 Ų4022%0.21619%0.192CC..THydrogen-bonded Turntrans-68.2-25.3-176.953.40000114.1V335 H370V335-C337 VanDerWaalsContact C-N 3.26Å; V335-C337 PolarHBondContact O-N 3.33Å; V335-C337 VanDerWaalsContact O-N 3.14Å; C337-H370 WeakPolarHBondContact CB-O 3.4Å
338Y83.8Confident88.5Confident179 Ų17940 Ų4070%0.70219%0.192SC*.THydrogen-bonded Turntrans-95.2-24.6-177-55-66000112.9K334 V335 V336K334-Y338 WeakPolarHBondContact O-CE2 3.41Å; V335-Y338 PolarHBondContact O-N 3.48Å; V336-Y338 VanDerWaalsContact C-N 3.3Å; V336-Y338 PolarHBondContact O-N 3.38Å
339K83.6Confident88.5Confident43 Ų4345.7 Ų45.719%0.18721%0.213CC..  trans-127.648-174.3-63.8-164.2179.9-167.70113.1N302 A303 V335 S341 H342 P344N302-K339 PolarHBondContact O-NZ 3.49Å; A303-K339 HydrophobicContact CB-CB 4.21Å; A303-K339 HydrophobicContact CB-CD 4.03Å; V335-K339 HydrophobicContact CG1-CB 4.1Å; V335-K339 HydrophobicContact CG1-CD 3.91Å; V335-K339 HydrophobicContact CG1-CG 3.9Å; V335-K339 PolarHBondContact O-N 3.49Å; V335-K339 VanDerWaalsContact O-N 3.1Å; K339-S341 PolarHBondContact O-N 2.96Å; K339-H342 HydrophobicContact CB-CB 4.19Å; K339-H342 WeakPolarHBondContact O-CB 3.36Å; K339-H342 PolarHBondContact O-N 3.2Å; K339-P344 WeakPolarHBondContact O-CD 3.26Å
340V82.6Confident88.6Confident56 Ų5646 Ų4634%0.33922%0.216SC..G310 helixtrans-57.9-34.7177.1-174.70000111.8V336 H342 H343 E373V336-V340 WeakPolarHBondContact O-CG2 3.28Å; V336-V340 PolarHBondContact O-N 3.07Å; V340-H342 PolarHBondContact O-N 3.07Å; V340-H343 PolarHBondContact O-N 3.22Å; V340-E373 HydrophobicContact CG2-CB 4.11Å
341S85.1Confident88.7Confident78 Ų7841.9 Ų41.955%0.54520%0.197SC..G310 helixtrans-63.2-19.8177.753.40000114.2M265 K339 H343M265-S341 WeakPolarHBondContact CE-O 3.43Å; K339-S341 PolarHBondContact O-N 2.96Å; S341-H343 VanDerWaalsContact C-N 3.28Å; S341-H343 PolarHBondContact O-N 3.47Å
342H86.2Confident88.8Confident12 Ų1242.6 Ų42.66%0.05620%0.201CC..G310 helixtrans-86.36-179.9-77.3-120.6000113.8Q263 M265 A303 K339 V340Q263-H342 PolarHBondContact O-CE1 3.12Å; Q263-H342 VanDerWaalsContact O-CE1 3.3Å; M265-H342 HydrophobicContact SD-CB 4.38Å; A303-H342 HydrophobicContact CB-CB 3.96Å; A303-H342 WeakPolarHBondContact O-CB 3.4Å; A303-H342 PolarHBondContact O-ND1 2.86Å; K339-H342 HydrophobicContact CB-CB 4.19Å; K339-H342 WeakPolarHBondContact O-CB 3.36Å; K339-H342 PolarHBondContact O-N 3.2Å; V340-H342 PolarHBondContact O-N 3.07Å
343H88.3Confident88.8Confident91 Ų9148.7 Ų48.742%0.42123%0.234SC..  trans54.554.1-178-61.1-69.5000113.9V340 S341 E345 R346V340-H343 PolarHBondContact O-N 3.22Å; S341-H343 VanDerWaalsContact C-N 3.28Å; S341-H343 PolarHBondContact O-N 3.47Å; H343-E345 WeakPolarHBondContact CA-OE1 3.28Å; H343-E345 VanDerWaalsContact CA-OE2 3.28Å; H343-E345 WeakPolarHBondContact CA-OE2 3.44Å; H343-E345 WeakPolarHBondContact CB-OE1 2.97Å; H343-E345 IonicContact CG-OE1 3.37Å; H343-E345 IonicContact ND1-OE1 2.88Å; H343-E345 PolarHBondContact ND1-OE1 3.04Å; H343-E345 PolarHBondContact O-N 3.17Å; H343-E345 VanDerWaalsContact O-N 3.12Å; H343-R346 HydrophobicContact CB-CG 4.31Å; H343-R346 WeakPolarHBondContact O-CB 3.48Å; H343-R346 PolarHBondContact O-N 2.84Å
344P89.6Confident88.9Confident0 Ų052.9 Ų52.90%025%0.253CS..Hα-helixtrans-59.9-24-17728-36.7000113.3I332 V336 K339 R346 I347 V348I332-P344 HydrophobicContact CD1-CB 3.75Å; I332-P344 HydrophobicContact CG1-CB 4.27Å; V336-P344 HydrophobicContact CB-CG 4.44Å; V336-P344 HydrophobicContact CG1-CG 4.12Å; V336-P344 HydrophobicContact CG2-CB 4.12Å; V336-P344 HydrophobicContact CG2-CG 4.39Å; K339-P344 WeakPolarHBondContact O-CD 3.26Å; P344-R346 PolarHBondContact O-N 3.1Å; P344-I347 PolarHBondContact O-N 3.3Å; P344-V348 PolarHBondContact O-N 3.45Å; P344-V348 VanDerWaalsContact O-N 3.1Å
345E90.6Very high89Confident22 Ų2250.6 Ų50.610%0.10326%0.256CS..Hα-helixtrans-55.9-31.9174.765.8-79.9-177.100112.7H343 R349 H376 V380H343-E345 WeakPolarHBondContact CA-OE1 3.28Å; H343-E345 VanDerWaalsContact CA-OE2 3.28Å; H343-E345 WeakPolarHBondContact CA-OE2 3.44Å; H343-E345 WeakPolarHBondContact CB-OE1 2.97Å; H343-E345 IonicContact CG-OE1 3.37Å; H343-E345 IonicContact ND1-OE1 2.88Å; H343-E345 PolarHBondContact ND1-OE1 3.04Å; H343-E345 PolarHBondContact O-N 3.17Å; H343-E345 VanDerWaalsContact O-N 3.12Å; E345-R349 VanDerWaalsContact O-CB 3.28Å; E345-R349 WeakPolarHBondContact O-CB 3.49Å; E345-R349 PolarHBondContact O-N 3.39Å; E345-H376 HydrophobicContact CB-CB 4.1Å; E345-H376 HydrophobicContact CG-CB 3.92Å; E345-V380 HydrophobicContact CB-CG2 4.34Å
346R93.1Very high89.1Confident91 Ų9149.9 Ų49.934%0.34325%0.252SS..Hα-helixtrans-64.7-45.1176.3-71.9-178.657.5-155.6-10111.1P305 D306 D309 H343 P344 R349 A350P305-R346 HydrophobicContact CB-CB 3.9Å; D306-R346 IonicContact OD1-CZ 3.2Å; D306-R346 IonicContact OD1-NH1 2.71Å; D306-R346 PolarHBondContact OD1-NH1 3.23Å; D306-R346 IonicContact OD1-NH2 3.87Å; D306-R346 PolarHBondContact OD1-NH2 2.54Å; D309-R346 IonicContact OD2-CZ 2.57Å; D309-R346 IonicContact OD2-NH2 3.57Å; D309-R346 PolarHBondContact OD2-NH2 3.38Å; H343-R346 HydrophobicContact CB-CG 4.31Å; H343-R346 WeakPolarHBondContact O-CB 3.48Å; H343-R346 PolarHBondContact O-N 2.84Å; P344-R346 PolarHBondContact O-N 3.1Å; R346-R349 PolarHBondContact O-N 3.22Å; R346-A350 WeakPolarHBondContact O-CB 3.48Å; R346-A350 PolarHBondContact O-N 3.08Å
347I93.6Very high89.2Confident0 Ų054.4 Ų54.40%028%0.275CS..Hα-helixtrans-64.6-47178.7-62.7169.4000110A303 P305 A308 I332 P344 R349 A350 L351A303-I347 HydrophobicContact CB-CD1 4.34Å; P305-I347 HydrophobicContact CB-CD1 4.44Å; P305-I347 HydrophobicContact CB-CG1 3.92Å; A308-I347 HydrophobicContact CB-CG1 4.07Å; A308-I347 HydrophobicContact CB-CG2 4.2Å; I332-I347 HydrophobicContact CB-CG2 4.15Å; I332-I347 HydrophobicContact CD1-CB 4.24Å; I332-I347 HydrophobicContact CD1-CD1 3.73Å; I332-I347 HydrophobicContact CD1-CG2 4.29Å; I332-I347 HydrophobicContact CG1-CB 4.07Å; I332-I347 HydrophobicContact CG1-CD1 4.48Å; I332-I347 HydrophobicContact CG1-CG2 3.93Å; I332-I347 HydrophobicContact CG2-CG2 4.35Å; P344-I347 PolarHBondContact O-N 3.3Å; I347-R349 VanDerWaalsContact C-N 3.29Å; I347-R349 PolarHBondContact O-N 3.46Å; I347-A350 PolarHBondContact O-N 2.88Å; I347-L351 HydrophobicContact CG2-CD1 3.95Å; I347-L351 HydrophobicContact CG2-CG 4.25Å; I347-L351 WeakPolarHBondContact O-CB 3.45Å; I347-L351 VanDerWaalsContact O-CG 3.29Å; I347-L351 WeakPolarHBondContact O-CG 3.37Å; I347-L351 PolarHBondContact O-N 3.14Å
348V93.1Very high89.4Confident0 Ų059.7 Ų59.70%029%0.291CS..Hα-helixtrans-59.2-44.4179.2177.20000110.4M329 I332 L333 P344 L351 L352 T377 V380 L381M329-V348 HydrophobicContact CE-CG1 4.29Å; I332-V348 HydrophobicContact CG1-CG2 3.95Å; I332-V348 HydrophobicContact CG2-CG2 3.92Å; L333-V348 HydrophobicContact CD2-CG2 4.34Å; P344-V348 PolarHBondContact O-N 3.45Å; P344-V348 VanDerWaalsContact O-N 3.1Å; V348-L351 PolarHBondContact O-N 2.95Å; V348-L352 HydrophobicContact CG1-CD1 3.98Å; V348-L352 VanDerWaalsContact O-CG 3.26Å; V348-L352 WeakPolarHBondContact O-CG 3.46Å; V348-L352 PolarHBondContact O-N 3.36Å; V348-T377 HydrophobicContact CG2-CG2 4.01Å; V348-V380 HydrophobicContact CB-CG1 4.38Å; V348-V380 HydrophobicContact CG1-CG1 3.97Å; V348-L381 HydrophobicContact CG1-CD2 3.68Å; V348-L381 HydrophobicContact CG1-CG 4.12Å
349R93.1Very high89.4Confident120 Ų12052 Ų5245%0.45326%0.262SS..Hα-helixtrans-62-47.2176.1-169.8179.7-56.8179.20.9112E345 R346 I347 L351 L352 N353 V380E345-R349 VanDerWaalsContact O-CB 3.28Å; E345-R349 WeakPolarHBondContact O-CB 3.49Å; E345-R349 PolarHBondContact O-N 3.39Å; R346-R349 PolarHBondContact O-N 3.22Å; I347-R349 VanDerWaalsContact C-N 3.29Å; I347-R349 PolarHBondContact O-N 3.46Å; R349-L351 PolarHBondContact O-N 3.1Å; R349-L352 PolarHBondContact O-N 3.31Å; R349-N353 WeakPolarHBondContact O-CB 3.47Å; R349-N353 PolarHBondContact O-N 3.08Å; R349-N353 PolarHBondContact O-ND2 3.37Å; R349-V380 HydrophobicContact CB-CG1 3.76Å; R349-V380 HydrophobicContact CB-CG2 4.43Å; R349-V380 HydrophobicContact CG-CG1 4.32Å; R349-V380 VanDerWaalsContact NH2-CG2 3.32Å
350A93.4Very high89.2Confident10 Ų1059 Ų598%0.08329%0.288CS..Hα-helixtrans-60.4-46.8179.200000111.4D309 L312 R346 I347 L352 N353 H354D309-A350 VanDerWaalsContact OD1-CB 3.25Å; D309-A350 WeakPolarHBondContact OD1-CB 3.41Å; L312-A350 HydrophobicContact CD1-CB 3.69Å; R346-A350 WeakPolarHBondContact O-CB 3.48Å; R346-A350 PolarHBondContact O-N 3.08Å; I347-A350 PolarHBondContact O-N 2.88Å; A350-L352 PolarHBondContact O-N 2.9Å; A350-N353 PolarHBondContact O-N 2.99Å; A350-H354 PolarHBondContact O-CD2 3.27Å; A350-H354 VanDerWaalsContact O-CD2 3.26Å; A350-H354 PolarHBondContact O-N 2.97Å
351L94Very high88.9Confident0 Ų059.5 Ų59.50%029%0.292CS..Hα-helixtrans-58.4-45.8176.1-71.4174.7000112L296 L312 V318 P328 M329 I332 I347 V348 R349 H354 G355 S356L296-L351 HydrophobicContact CD1-CD2 4.45Å; L296-L351 HydrophobicContact CD2-CD2 4.13Å; L312-L351 HydrophobicContact CD1-CD2 4.33Å; L312-L351 HydrophobicContact CD2-CD2 4.27Å; V318-L351 HydrophobicContact CG1-CD2 4.09Å; P328-L351 HydrophobicContact CB-CD2 4.26Å; M329-L351 HydrophobicContact CB-CD1 4.18Å; M329-L351 HydrophobicContact CE-CB 4.03Å; I332-L351 HydrophobicContact CG2-CD1 3.93Å; I347-L351 HydrophobicContact CG2-CD1 3.95Å; I347-L351 HydrophobicContact CG2-CG 4.25Å; I347-L351 WeakPolarHBondContact O-CB 3.45Å; I347-L351 VanDerWaalsContact O-CG 3.29Å; I347-L351 WeakPolarHBondContact O-CG 3.37Å; I347-L351 PolarHBondContact O-N 3.14Å; V348-L351 PolarHBondContact O-N 2.95Å; R349-L351 PolarHBondContact O-N 3.1Å; L351-H354 CarbonylContact O-C 3.59Å; L351-H354 PolarHBondContact O-N 3.04Å; L351-G355 PolarHBondContact O-N 3.41Å; L351-S356 VanDerWaalsContact C-CB 3.47Å; L351-S356 WeakPolarHBondContact O-CB 3.43Å; L351-S356 PolarHBondContact O-N 3.12Å
352L92.1Very high88.6Confident30 Ų3057.9 Ų57.916%0.15729%0.287CS..Hα-helixtrans-64-42.4178.6-70.8166.9000112.2M329 V348 R349 A350 H354 G355 R358 V380 A384M329-L352 HydrophobicContact CE-CD1 4.33Å; M329-L352 HydrophobicContact CE-CD2 3.49Å; M329-L352 VanDerWaalsContact CE-CD2 3.49Å; M329-L352 HydrophobicContact CE-CG 3.52Å; M329-L352 HydrophobicContact SD-CD2 4.27Å; V348-L352 HydrophobicContact CG1-CD1 3.98Å; V348-L352 VanDerWaalsContact O-CG 3.26Å; V348-L352 WeakPolarHBondContact O-CG 3.46Å; V348-L352 PolarHBondContact O-N 3.36Å; R349-L352 PolarHBondContact O-N 3.31Å; A350-L352 PolarHBondContact O-N 2.9Å; L352-H354 PolarHBondContact O-N 3.1Å; L352-G355 PolarHBondContact O-N 3.37Å; L352-R358 HydrophobicContact CD2-CG 4.21Å; L352-V380 HydrophobicContact CD1-CG1 4Å; L352-A384 HydrophobicContact CD1-CB 3.93Å; L352-A384 HydrophobicContact CD2-CB 4.22Å
353N91Very high88.4Confident128 Ų12859.1 Ų59.168%0.68430%0.3SS*.Hα-helixtrans-62.1-34177.4-72.4-12.4000112.2R349 A350 G355R349-N353 WeakPolarHBondContact O-CB 3.47Å; R349-N353 PolarHBondContact O-N 3.08Å; R349-N353 PolarHBondContact O-ND2 3.37Å; A350-N353 PolarHBondContact O-N 2.99Å; N353-G355 VanDerWaalsContact C-N 3.27Å; N353-G355 PolarHBondContact O-N 3.4Å
354H91.7Very high88Confident102 Ų10254.8 Ų54.847%0.47228%0.279SS..THydrogen-bonded Turntrans-85.710.2175.9-77.9-95.9000113.9L312 V318 A350 L351 L352L312-H354 HydrophobicContact CD2-CB 4.2Å; V318-H354 HydrophobicContact CG1-CB 3.76Å; V318-H354 WeakPolarHBondContact CG2-O 3.35Å; A350-H354 PolarHBondContact O-CD2 3.27Å; A350-H354 VanDerWaalsContact O-CD2 3.26Å; A350-H354 PolarHBondContact O-N 2.97Å; L351-H354 CarbonylContact O-C 3.59Å; L351-H354 PolarHBondContact O-N 3.04Å; L352-H354 PolarHBondContact O-N 3.1Å
355G89.4Confident87.6Confident47 Ų4755.7 Ų55.749%0.48529%0.285SS..THydrogen-bonded Turntrans8627.6172.800000115N319 L351 L352 N353N319-G355 PolarHBondContact ND2-O 2.88Å; L351-G355 PolarHBondContact O-N 3.41Å; L352-G355 PolarHBondContact O-N 3.37Å; N353-G355 VanDerWaalsContact C-N 3.27Å; N353-G355 PolarHBondContact O-N 3.4Å
356S90.8Very high87.3Confident7 Ų759.6 Ų59.65%0.04931%0.311CS..PPolyproline II helixtrans-58.7144.8171.6-179.40000111.8N319 M329 L351 R358N319-S356 WeakPolarHBondContact OD1-CA 3.34Å; M329-S356 WeakPolarHBondContact CB-OG 3.2Å; L351-S356 VanDerWaalsContact C-CB 3.47Å; L351-S356 WeakPolarHBondContact O-CB 3.43Å; L351-S356 PolarHBondContact O-N 3.12Å; S356-R358 PolarHBondContact O-N 3.36Å
357I86.6Confident86.8Confident94 Ų9456.7 Ų56.748%0.48230%0.303SS..PPolyproline II helixtrans-56.8126171.8-65.8157000109N319N319-I357 HydrophobicContact CB-CD1 4.1Å; N319-I357 HydrophobicContact CB-CG1 4.49Å; N319-I357 WeakPolarHBondContact OD1-CG1 3.45Å; N319-I357 PolarHBondContact OD1-N 3.39Å
358R85.3Confident86.3Confident144 Ų14456.8 Ų56.854%0.54330%0.303SS..PPolyproline II helixtrans-73.1152.5177.2-57.8178.8-173.8-179.3-2.3110.3L352 S356 W360 A384 Y385L352-R358 HydrophobicContact CD2-CG 4.21Å; S356-R358 PolarHBondContact O-N 3.36Å; R358-W360 PolarHBondContact O-N 3.08Å; R358-A384 PolarHBondContact NH1-O 3.47Å; R358-Y385 HydrophobicContact CB-CE1 4.43Å
359V83.4Confident85.7Confident18 Ų1863.7 Ų63.711%0.10933%0.334CS..PPolyproline II helixtrans-59.1137.6173.9-178.50000109.5L333 A363 L364 V367 L381 Y385L333-V359 HydrophobicContact CD1-CG2 3.72Å; V359-A363 HydrophobicContact CG1-CB 4.39Å; V359-L364 HydrophobicContact CB-CD1 4.33Å; V359-L364 HydrophobicContact CG1-CB 4.37Å; V359-L364 HydrophobicContact CG1-CD1 4.24Å; V359-V367 HydrophobicContact CG1-CB 4.36Å; V359-V367 HydrophobicContact CG1-CG2 3.82Å; V359-L381 HydrophobicContact CG2-CD2 4.34Å; V359-Y385 PolarHBondContact N-OH 3.01Å; V359-Y385 PolarHBondContact O-OH 3.02Å
360W80.9Confident85.1Confident190 Ų19062.5 Ų62.572%0.7233%0.333SS*.PPolyproline II helixtrans-66.8133.6178.3-176.574.2000110.4R358 G362 A363 L364R358-W360 PolarHBondContact O-N 3.08Å; W360-G362 VanDerWaalsContact CE3-CA 3.41Å; W360-G362 VanDerWaalsContact CE3-N 3.28Å; W360-G362 VanDerWaalsContact CZ3-C 3.5Å; W360-G362 PolarHBondContact O-N 2.93Å; W360-A363 HydrophobicContact CB-CB 4.48Å; W360-A363 HydrophobicContact CE3-CB 4.2Å; W360-A363 VanDerWaalsContact CE3-N 3.29Å; W360-A363 WeakPolarHBondContact O-CA 3.17Å; W360-A363 PolarHBondContact O-N 3.01Å; W360-L364 PolarHBondContact O-N 3.27Å; W360-L364 VanDerWaalsContact O-N 3.08Å
361P75.6Confident84.5Confident66 Ų6662 Ų6243%0.42933%0.329SS..THydrogen-bonded Turntrans-55.5-29.9-171.4-30.536.1000116.1L364 Y385P361-L364 WeakPolarHBondContact O-CB 3.35Å; P361-Y385 HydrophobicContact CG-CE1 4.46Å
362G78Confident83.9Confident43 Ų4363.2 Ų63.244%0.44334%0.337SS..THydrogen-bonded Turntrans-84.5-13.717600000114.7W360W360-G362 VanDerWaalsContact CE3-CA 3.41Å; W360-G362 VanDerWaalsContact CE3-N 3.28Å; W360-G362 VanDerWaalsContact CZ3-C 3.5Å; W360-G362 PolarHBondContact O-N 2.93Å
363A81.9Confident83.4Confident38 Ų3867.9 Ų67.931%0.31436%0.358SS..THydrogen-bonded Turntrans-90.5-14.6169.500000111.8V359 W360 V366 V367V359-A363 HydrophobicContact CG1-CB 4.39Å; W360-A363 HydrophobicContact CB-CB 4.48Å; W360-A363 HydrophobicContact CE3-CB 4.2Å; W360-A363 VanDerWaalsContact CE3-N 3.29Å; W360-A363 WeakPolarHBondContact O-CA 3.17Å; W360-A363 PolarHBondContact O-N 3.01Å; A363-V366 WeakPolarHBondContact O-CB 3.3Å; A363-V366 PolarHBondContact O-N 3.17Å; A363-V366 VanDerWaalsContact O-N 3.15Å; A363-V367 PolarHBondContact O-N 3.49Å; A363-V367 VanDerWaalsContact O-N 3.13Å
364L81.8Confident83Confident0 Ų061.9 Ų61.90%033%0.326CS..Hα-helixtrans-57.3-43.2-178-172.157.6000113.3V359 W360 P361 V366 V367 L368 Y385 L388 W394V359-L364 HydrophobicContact CB-CD1 4.33Å; V359-L364 HydrophobicContact CG1-CB 4.37Å; V359-L364 HydrophobicContact CG1-CD1 4.24Å; W360-L364 PolarHBondContact O-N 3.27Å; W360-L364 VanDerWaalsContact O-N 3.08Å; P361-L364 WeakPolarHBondContact O-CB 3.35Å; L364-V366 VanDerWaalsContact C-N 3.27Å; L364-V366 PolarHBondContact O-N 2.78Å; L364-V367 PolarHBondContact O-N 3.22Å; L364-V367 VanDerWaalsContact O-N 3.15Å; L364-L368 HydrophobicContact CD1-CD1 4.48Å; L364-L368 HydrophobicContact CD1-CD2 4.37Å; L364-L368 HydrophobicContact CD1-CG 4.1Å; L364-L368 HydrophobicContact CG-CD1 4.08Å; L364-L368 HydrophobicContact CG-CG 4.18Å; L364-L368 WeakPolarHBondContact O-CB 3.35Å; L364-L368 VanDerWaalsContact O-CG 3.23Å; L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.37Å; L364-Y385 HydrophobicContact CD2-CE2 4.15Å; L364-L388 HydrophobicContact CD2-CD1 4.45Å; L364-L388 HydrophobicContact CD2-CD2 3.91Å; L364-W394 HydrophobicContact CD2-CH2 3.36Å; L364-W394 HydrophobicContact CD2-CZ2 3.76Å; L364-W394 HydrophobicContact CD2-CZ3 4.35Å; L364-W394 HydrophobicContact CG-CH2 4.06Å; L364-W394 HydrophobicContact CG-CZ2 4.27Å
365P81.1Confident82.6Confident19 Ų1958.2 Ų58.212%0.12331%0.311CS..Hα-helixtrans-58.5-37.7176.4-25.636000113.4L368 K369P365-L368 PolarHBondContact O-N 3.05Å; P365-K369 WeakPolarHBondContact O-CB 3.47Å; P365-K369 PolarHBondContact O-N 3.27Å
366V83Confident82.4Confident105 Ų10560 Ų6064%0.63631%0.307SS*.Hα-helixtrans-67.7-43.2177.8-177.40000110.8A363 L364 K369 H370A363-V366 WeakPolarHBondContact O-CB 3.3Å; A363-V366 PolarHBondContact O-N 3.17Å; A363-V366 VanDerWaalsContact O-N 3.15Å; L364-V366 VanDerWaalsContact C-N 3.27Å; L364-V366 PolarHBondContact O-N 2.78Å; V366-K369 PolarHBondContact O-N 3.44Å; V366-H370 PolarHBondContact O-N 3.05Å; V366-H370 VanDerWaalsContact O-N 3.13Å
367V83.1Confident82.2Confident29 Ų2959.7 Ų59.718%0.17631%0.305CS..Hα-helixtrans-65.7-42177174.50000111.1L333 V359 A363 L364 K369 H370 C371 L381L333-V367 HydrophobicContact CD1-CG1 4Å; L333-V367 HydrophobicContact CD2-CG1 4.01Å; L333-V367 HydrophobicContact CG-CG1 4.44Å; V359-V367 HydrophobicContact CG1-CB 4.36Å; V359-V367 HydrophobicContact CG1-CG2 3.82Å; A363-V367 PolarHBondContact O-N 3.49Å; A363-V367 VanDerWaalsContact O-N 3.13Å; L364-V367 PolarHBondContact O-N 3.22Å; L364-V367 VanDerWaalsContact O-N 3.15Å; V367-K369 VanDerWaalsContact C-N 3.34Å; V367-K369 PolarHBondContact O-N 3.12Å; V367-H370 CarbonylContact O-C 3.58Å; V367-H370 WeakPolarHBondContact O-CB 3.38Å; V367-H370 PolarHBondContact O-N 2.89Å; V367-H370 VanDerWaalsContact O-N 3.1Å; V367-C371 WeakPolarHBondContact O-CB 3.5Å; V367-C371 PolarHBondContact O-N 2.87Å; V367-C371 PolarHBondContact O-SG 3.15Å; V367-L381 HydrophobicContact CG1-CD1 4.08Å
368L82.3Confident82.1Confident2 Ų255.5 Ų55.51%0.0128%0.283CS..Hα-helixtrans-61.6-42.4177.1-71.1178.3000111.7L364 P365 H370 C371 S372 I378 L382 W394 V398L364-L368 HydrophobicContact CD1-CD1 4.48Å; L364-L368 HydrophobicContact CD1-CD2 4.37Å; L364-L368 HydrophobicContact CD1-CG 4.1Å; L364-L368 HydrophobicContact CG-CD1 4.08Å; L364-L368 HydrophobicContact CG-CG 4.18Å; L364-L368 WeakPolarHBondContact O-CB 3.35Å; L364-L368 VanDerWaalsContact O-CG 3.23Å; L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.37Å; P365-L368 PolarHBondContact O-N 3.05Å; L368-H370 VanDerWaalsContact C-N 3.27Å; L368-H370 PolarHBondContact O-N 3.08Å; L368-C371 CarbonylContact O-C 3.46Å; L368-C371 PolarHBondContact O-N 3.13Å; L368-C371 VanDerWaalsContact O-N 3.12Å; L368-S372 PolarHBondContact O-N 3.1Å; L368-S372 VanDerWaalsContact O-N 3.11Å; L368-I378 HydrophobicContact CD2-CB 4.13Å; L368-I378 HydrophobicContact CD2-CG1 3.88Å; L368-I378 HydrophobicContact CD2-CG2 3.64Å; L368-L382 HydrophobicContact CD1-CD2 4.4Å; L368-W394 HydrophobicContact CD1-CE3 4.11Å; L368-W394 HydrophobicContact CD1-CZ3 4.01Å; L368-V398 HydrophobicContact CB-CG2 4.04Å; L368-V398 HydrophobicContact CD1-CG2 4.36Å
369K81.5Confident82.2Confident146 Ų14652.2 Ų52.264%0.63527%0.274SS*.Hα-helixtrans-59.6-38.5173-174.8177.6-178.1174.90112P365 V366 V367 C371 S372 S397P365-K369 WeakPolarHBondContact O-CB 3.47Å; P365-K369 PolarHBondContact O-N 3.27Å; V366-K369 PolarHBondContact O-N 3.44Å; V367-K369 VanDerWaalsContact C-N 3.34Å; V367-K369 PolarHBondContact O-N 3.12Å; K369-C371 VanDerWaalsContact C-N 3.35Å; K369-S372 PolarHBondContact O-OG 3.48Å; K369-S397 WeakPolarHBondContact CA-O 3.41Å
370H80.5Confident82.3Confident94 Ų9451.9 Ų51.944%0.43527%0.272SS..Hα-helixtrans-72.7-28.6176.8-13472.1000112.7C337 V366 V367 L368C337-H370 WeakPolarHBondContact CB-O 3.4Å; V366-H370 PolarHBondContact O-N 3.05Å; V366-H370 VanDerWaalsContact O-N 3.13Å; V367-H370 CarbonylContact O-C 3.58Å; V367-H370 WeakPolarHBondContact O-CB 3.38Å; V367-H370 PolarHBondContact O-N 2.89Å; V367-H370 VanDerWaalsContact O-N 3.1Å; L368-H370 VanDerWaalsContact C-N 3.27Å; L368-H370 PolarHBondContact O-N 3.08Å
371C81.5Confident82.6Confident0 Ų043 Ų430%024%0.238CC..THydrogen-bonded Turntrans-9210.1178.9-60.70000113.4V336 V367 L368 K369 E373 S374 I378V336-C371 HydrophobicContact CG1-CB 4.27Å; V367-C371 WeakPolarHBondContact O-CB 3.5Å; V367-C371 PolarHBondContact O-N 2.87Å; V367-C371 PolarHBondContact O-SG 3.15Å; L368-C371 CarbonylContact O-C 3.46Å; L368-C371 PolarHBondContact O-N 3.13Å; L368-C371 VanDerWaalsContact O-N 3.12Å; K369-C371 VanDerWaalsContact C-N 3.35Å; C371-E373 PolarHBondContact O-N 3.15Å; C371-E373 VanDerWaalsContact O-N 3.12Å; C371-S374 CarbonylContact O-C 3.46Å; C371-S374 PolarHBondContact O-N 3.13Å; C371-I378 HydrophobicContact CB-CD1 4.47Å; C371-I378 HydrophobicContact CB-CG1 3.88Å; C371-I378 WeakPolarHBondContact O-CD1 3.43Å
372S80.5Confident83Confident26 Ų2641.9 Ų41.918%0.18223%0.229CC..THydrogen-bonded Turntrans-55.8-32.9-175.3600000113.4L368 K369 S374L368-S372 PolarHBondContact O-N 3.1Å; L368-S372 VanDerWaalsContact O-N 3.11Å; K369-S372 PolarHBondContact O-OG 3.48Å; S372-S374 PolarHBondContact O-N 3.44Å
373E80.8Confident83.3Confident128 Ų12845.3 Ų45.360%0.59824%0.237SC*.THydrogen-bonded Turntrans-73.5-11.7178.6-57.2-56.4127.800113.7V340 C371V340-E373 HydrophobicContact CG2-CB 4.11Å; C371-E373 PolarHBondContact O-N 3.15Å; C371-E373 VanDerWaalsContact O-N 3.12Å
374S83.2Confident83.4Confident1 Ų144.5 Ų44.51%0.00723%0.23CC..  trans-127.484.9178.4-175.40000110.7V336 C371 S372 H376 T377 I378V336-S374 VanDerWaalsContact CG1-CB 3.43Å; C371-S374 CarbonylContact O-C 3.46Å; C371-S374 PolarHBondContact O-N 3.13Å; S372-S374 PolarHBondContact O-N 3.44Å; S374-H376 PolarHBondContact O-N 3.11Å; S374-T377 PolarHBondContact O-N 3.27Å; S374-T377 WeakPolarHBondContact OG-CB 3.47Å; S374-T377 PolarHBondContact OG-OG1 3.15Å; S374-I378 PolarHBondContact O-N 3.28Å
375P83.2Confident83.3Confident25 Ų2546.4 Ų46.416%0.16224%0.238CC..Hα-helixtrans-60.3-33.2-178.821.8-32.4000112.8T377 I378 E379P375-T377 VanDerWaalsContact C-N 3.33Å; P375-T377 PolarHBondContact O-N 3.07Å; P375-I378 WeakPolarHBondContact O-CB 3.48Å; P375-I378 PolarHBondContact O-N 2.9Å; P375-E379 PolarHBondContact O-N 3.41Å
376H85.6Confident83Confident86 Ų8650.4 Ų50.440%0.39827%0.267SS..Hα-helixtrans-65.4-34.1176-57.593.2000112.7E345 S374 E379 V380E345-H376 HydrophobicContact CB-CB 4.1Å; E345-H376 HydrophobicContact CG-CB 3.92Å; S374-H376 PolarHBondContact O-N 3.11Å; H376-E379 PolarHBondContact O-N 3.4Å; H376-V380 WeakPolarHBondContact O-CG2 3.32Å; H376-V380 PolarHBondContact O-N 3.25Å; H376-V380 VanDerWaalsContact O-N 3.08Å
377T86.8Confident82.4Confident0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-69.5-40175.8-59.60000110.8V336 V348 S374 P375 E379 V380 L381V336-T377 HydrophobicContact CG1-CG2 4.11Å; V336-T377 HydrophobicContact CG2-CG2 3.99Å; V348-T377 HydrophobicContact CG2-CG2 4.01Å; S374-T377 PolarHBondContact O-N 3.27Å; S374-T377 WeakPolarHBondContact OG-CB 3.47Å; S374-T377 PolarHBondContact OG-OG1 3.15Å; P375-T377 VanDerWaalsContact C-N 3.33Å; P375-T377 PolarHBondContact O-N 3.07Å; T377-E379 VanDerWaalsContact C-N 3.34Å; T377-V380 PolarHBondContact O-N 3.25Å; T377-L381 HydrophobicContact CG2-CD1 4.29Å; T377-L381 WeakPolarHBondContact O-CG 3.43Å; T377-L381 PolarHBondContact O-N 3.37Å
378I84.9Confident81.9Confident6 Ų654.4 Ų54.43%0.03128%0.277CS..Hα-helixtrans-58.3-48.9173.8-68173.8000110.1L368 C371 S374 P375 V380 L381 L382 V398L368-I378 HydrophobicContact CD2-CB 4.13Å; L368-I378 HydrophobicContact CD2-CG1 3.88Å; L368-I378 HydrophobicContact CD2-CG2 3.64Å; C371-I378 HydrophobicContact CB-CD1 4.47Å; C371-I378 HydrophobicContact CB-CG1 3.88Å; C371-I378 WeakPolarHBondContact O-CD1 3.43Å; S374-I378 PolarHBondContact O-N 3.28Å; P375-I378 WeakPolarHBondContact O-CB 3.48Å; P375-I378 PolarHBondContact O-N 2.9Å; I378-V380 PolarHBondContact O-N 2.98Å; I378-L381 PolarHBondContact O-N 2.91Å; I378-L382 HydrophobicContact CG2-CD1 3.75Å; I378-L382 HydrophobicContact CG2-CG 4.19Å; I378-L382 VanDerWaalsContact O-CG 3.32Å; I378-L382 WeakPolarHBondContact O-CG 3.23Å; I378-L382 PolarHBondContact O-N 3.11Å; I378-V398 HydrophobicContact CD1-CG1 4.38Å
379E85.6Confident81.1Confident75 Ų7563.5 Ų63.535%0.3532%0.317SS..Hα-helixtrans-56-48.7178.5-166.2-154.6146.300111.7P375 H376 T377 L381 L382 N383P375-E379 PolarHBondContact O-N 3.41Å; H376-E379 PolarHBondContact O-N 3.4Å; T377-E379 VanDerWaalsContact C-N 3.34Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.37Å; E379-L382 PolarHBondContact O-N 3.38Å; E379-N383 WeakPolarHBondContact O-CB 3.43Å; E379-N383 VanDerWaalsContact O-CG 3.22Å; E379-N383 PolarHBondContact O-N 3.12Å; E379-N383 PolarHBondContact O-ND2 3.25Å; E379-N383 PolarHBondContact OE1-ND2 3.48Å
380V87.1Confident80.3Confident10 Ų1061.5 Ų61.56%0.06132%0.317CS..Hα-helixtrans-59.8-41.9177.9170.40000112E345 V348 R349 L352 H376 T377 I378 A384E345-V380 HydrophobicContact CB-CG2 4.34Å; V348-V380 HydrophobicContact CB-CG1 4.38Å; V348-V380 HydrophobicContact CG1-CG1 3.97Å; R349-V380 HydrophobicContact CB-CG1 3.76Å; R349-V380 HydrophobicContact CB-CG2 4.43Å; R349-V380 HydrophobicContact CG-CG1 4.32Å; R349-V380 VanDerWaalsContact NH2-CG2 3.32Å; L352-V380 HydrophobicContact CD1-CG1 4Å; H376-V380 WeakPolarHBondContact O-CG2 3.32Å; H376-V380 PolarHBondContact O-N 3.25Å; H376-V380 VanDerWaalsContact O-N 3.08Å; T377-V380 PolarHBondContact O-N 3.25Å; I378-V380 PolarHBondContact O-N 2.98Å; V380-A384 PolarHBondContact O-N 2.83Å
381L85.9Confident79.7Confident3 Ų360.4 Ų60.42%0.01632%0.316CS..Hα-helixtrans-65.1-43.9177.7-72.4171.4000111.7L333 V348 V359 V367 T377 I378 E379 A384 Y385L333-L381 HydrophobicContact CD2-CD1 3.9Å; L333-L381 HydrophobicContact CD2-CD2 4.31Å; V348-L381 HydrophobicContact CG1-CD2 3.68Å; V348-L381 HydrophobicContact CG1-CG 4.12Å; V359-L381 HydrophobicContact CG2-CD2 4.34Å; V367-L381 HydrophobicContact CG1-CD1 4.08Å; T377-L381 HydrophobicContact CG2-CD1 4.29Å; T377-L381 WeakPolarHBondContact O-CG 3.43Å; T377-L381 PolarHBondContact O-N 3.37Å; I378-L381 PolarHBondContact O-N 2.91Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.37Å; L381-A384 VanDerWaalsContact O-CB 3.3Å; L381-A384 WeakPolarHBondContact O-CB 3.47Å; L381-A384 PolarHBondContact O-N 3.26Å; L381-Y385 WeakPolarHBondContact O-CD2 3.5Å; L381-Y385 WeakPolarHBondContact O-CE2 3.46Å
382L84.4Confident78.9Confident43 Ų4367 Ų6723%0.22535%0.352CS..Hα-helixtrans-67.6-41-179.6-66.5178.7000111.7L368 I378 E379 A384 Y385 L388 W394L368-L382 HydrophobicContact CD1-CD2 4.4Å; I378-L382 HydrophobicContact CG2-CD1 3.75Å; I378-L382 HydrophobicContact CG2-CG 4.19Å; I378-L382 VanDerWaalsContact O-CG 3.32Å; I378-L382 WeakPolarHBondContact O-CG 3.23Å; I378-L382 PolarHBondContact O-N 3.11Å; E379-L382 PolarHBondContact O-N 3.38Å; L382-A384 PolarHBondContact O-N 3Å; L382-A384 VanDerWaalsContact O-N 3.1Å; L382-Y385 PolarHBondContact O-N 3.04Å; L382-L388 HydrophobicContact CD2-CD1 3.79Å; L382-W394 HydrophobicContact CD2-CH2 4.15Å; L382-W394 HydrophobicContact CD2-CZ3 3.69Å
383N85.1Confident78.1Confident116 Ų11669.4 Ų69.462%0.6237%0.365SS*.Hα-helixtrans-62.1-17.3176.6-73.8-18.4000113.1E379 Y385E379-N383 WeakPolarHBondContact O-CB 3.43Å; E379-N383 VanDerWaalsContact O-CG 3.22Å; E379-N383 PolarHBondContact O-N 3.12Å; E379-N383 PolarHBondContact O-ND2 3.25Å; E379-N383 PolarHBondContact OE1-ND2 3.48Å; N383-Y385 PolarHBondContact O-N 3.38Å
384A83.1Confident77.4Confident21 Ų2164.8 Ų64.817%0.17434%0.342CS..THydrogen-bonded Turntrans-72.5-12174.300000113.6L352 R358 V380 L381 L382L352-A384 HydrophobicContact CD1-CB 3.93Å; L352-A384 HydrophobicContact CD2-CB 4.22Å; R358-A384 PolarHBondContact NH1-O 3.47Å; V380-A384 PolarHBondContact O-N 2.83Å; L381-A384 VanDerWaalsContact O-CB 3.3Å; L381-A384 WeakPolarHBondContact O-CB 3.47Å; L381-A384 PolarHBondContact O-N 3.26Å; L382-A384 PolarHBondContact O-N 3Å; L382-A384 VanDerWaalsContact O-N 3.1Å
385Y80.5Confident76.4Confident39 Ų3969.8 Ų69.815%0.15337%0.373CS..  trans-112.1134.2-178.7-58.4-97.4000111.2R358 V359 P361 L364 L381 L382 N383 L388R358-Y385 HydrophobicContact CB-CE1 4.43Å; V359-Y385 PolarHBondContact N-OH 3.01Å; V359-Y385 PolarHBondContact O-OH 3.02Å; P361-Y385 HydrophobicContact CG-CE1 4.46Å; L364-Y385 HydrophobicContact CD2-CE2 4.15Å; L381-Y385 WeakPolarHBondContact O-CD2 3.5Å; L381-Y385 WeakPolarHBondContact O-CE2 3.46Å; L382-Y385 PolarHBondContact O-N 3.04Å; N383-Y385 PolarHBondContact O-N 3.38Å; Y385-L388 HydrophobicContact CD1-CD2 3.82Å; Y385-L388 HydrophobicContact CD1-CG 4.37Å; Y385-L388 HydrophobicContact CD2-CD1 3.91Å; Y385-L388 HydrophobicContact CD2-CD2 4.23Å; Y385-L388 HydrophobicContact CD2-CG 4.36Å; Y385-L388 HydrophobicContact CE1-CD2 4.37Å; Y385-L388 HydrophobicContact CG-CD1 3.9Å; Y385-L388 HydrophobicContact CG-CD2 3.76Å; Y385-L388 HydrophobicContact CG-CG 3.87Å
386S73.4Confident75.4Confident104 Ų10476.6 Ų76.673%0.72740%0.402SS*.SBendtrans-78-33174.450.10000112.9
387H72.3Confident74.3Confident170 Ų17073.3 Ų73.379%0.78739%0.389SS*.  trans-142.3125178.3-59.2-63.9000110
388L70.8Confident73.1Confident48 Ų4874.3 Ų74.325%0.25140%0.395SS..  trans-124.4130.5173.6-76.5162.2000108.7L364 L382 Y385 V390 W394L364-L388 HydrophobicContact CD2-CD1 4.45Å; L364-L388 HydrophobicContact CD2-CD2 3.91Å; L382-L388 HydrophobicContact CD2-CD1 3.79Å; Y385-L388 HydrophobicContact CD1-CD2 3.82Å; Y385-L388 HydrophobicContact CD1-CG 4.37Å; Y385-L388 HydrophobicContact CD2-CD1 3.91Å; Y385-L388 HydrophobicContact CD2-CD2 4.23Å; Y385-L388 HydrophobicContact CD2-CG 4.36Å; Y385-L388 HydrophobicContact CE1-CD2 4.37Å; Y385-L388 HydrophobicContact CG-CD1 3.9Å; Y385-L388 HydrophobicContact CG-CD2 3.76Å; Y385-L388 HydrophobicContact CG-CG 3.87Å; L388-V390 PolarHBondContact O-N 3.18Å; L388-W394 HydrophobicContact CB-CH2 4.16Å; L388-W394 HydrophobicContact CD1-CH2 3.87Å; L388-W394 HydrophobicContact CD1-CZ3 4.32Å; L388-W394 HydrophobicContact CD2-CH2 3.84Å; L388-W394 HydrophobicContact CD2-CZ2 4.24Å; L388-W394 HydrophobicContact CG-CH2 4.16Å
389K66Low72.1Confident192 Ų19277.2 Ų77.284%0.83541%0.414SS*.  trans-81.7105.7169.4-69.4-172.6178.9-177.40107.7T391K389-T391 PolarHBondContact O-N 3.39Å
390V65.9Low70.9Confident105 Ų10580 Ų8064%0.63643%0.427SS*.  trans-74.2120174.4-174.80000108L388 W394L388-V390 PolarHBondContact O-N 3.18Å; V390-W394 HydrophobicContact CG1-CB 4Å; V390-W394 HydrophobicContact CG1-CG 4.29Å
391T67.3Low69.5Low70 Ų7085.5 Ų85.543%0.42946%0.456SS..  trans-108162.1175.153.90000110.1K389 T393 W394K389-T391 PolarHBondContact O-N 3.39Å; T391-T393 PolarHBondContact O-N 3.44Å; T391-T393 VanDerWaalsContact O-N 3.09Å; T391-T393 PolarHBondContact OG1-OG1 3.43Å; T391-W394 WeakPolarHBondContact O-CB 3.47Å; T391-W394 PolarHBondContact O-N 2.89Å
392D64Low68.2Low140 Ų14086.1 Ų86.175%0.74946%0.462SS*.Hα-helixtrans-57.1-31-176.9-57.8-33.9000113.2W394 V395D392-W394 PolarHBondContact O-N 2.95Å; D392-W394 VanDerWaalsContact O-N 3.15Å; D392-V395 PolarHBondContact O-N 3.3Å; D392-V395 VanDerWaalsContact O-N 3.11Å
393T64.4Low66.8Low75 Ų7589.1 Ų89.146%0.4647%0.474SS..Hα-helixtrans-58.7-23.9172.552.90000114.1T391 S397T391-T393 PolarHBondContact O-N 3.44Å; T391-T393 VanDerWaalsContact O-N 3.09Å; T391-T393 PolarHBondContact OG1-OG1 3.43Å; T393-S397 PolarHBondContact O-N 3.28Å; T393-S397 PolarHBondContact O-OG 3.34Å
394W65.6Low65.3Low31 Ų3188.7 Ų88.712%0.11747%0.466CS..Hα-helixtrans-72.1-37.8176.8-75.550.6000112.1L364 L368 L382 L388 V390 T391 D392 E396 S397L364-W394 HydrophobicContact CD2-CH2 3.36Å; L364-W394 HydrophobicContact CD2-CZ2 3.76Å; L364-W394 HydrophobicContact CD2-CZ3 4.35Å; L364-W394 HydrophobicContact CG-CH2 4.06Å; L364-W394 HydrophobicContact CG-CZ2 4.27Å; L368-W394 HydrophobicContact CD1-CE3 4.11Å; L368-W394 HydrophobicContact CD1-CZ3 4.01Å; L382-W394 HydrophobicContact CD2-CH2 4.15Å; L382-W394 HydrophobicContact CD2-CZ3 3.69Å; L388-W394 HydrophobicContact CB-CH2 4.16Å; L388-W394 HydrophobicContact CD1-CH2 3.87Å; L388-W394 HydrophobicContact CD1-CZ3 4.32Å; L388-W394 HydrophobicContact CD2-CH2 3.84Å; L388-W394 HydrophobicContact CD2-CZ2 4.24Å; L388-W394 HydrophobicContact CG-CH2 4.16Å; V390-W394 HydrophobicContact CG1-CB 4Å; V390-W394 HydrophobicContact CG1-CG 4.29Å; T391-W394 WeakPolarHBondContact O-CB 3.47Å; T391-W394 PolarHBondContact O-N 2.89Å; D392-W394 PolarHBondContact O-N 2.95Å; D392-W394 VanDerWaalsContact O-N 3.15Å; W394-E396 PolarHBondContact O-N 3.36Å; W394-S397 PolarHBondContact O-N 3.01Å; W394-S397 VanDerWaalsContact O-N 3.11Å
395V61.6Low63.8Low106 Ų10690 Ų9064%0.64248%0.477SS*.Hα-helixtrans-65.7-32.7-179.8-177.20000110.5D392 S397D392-V395 PolarHBondContact O-N 3.3Å; D392-V395 VanDerWaalsContact O-N 3.11Å; V395-S397 VanDerWaalsContact C-N 3.35Å
396E63.2Low62.2Low168 Ų16889.3 Ų89.379%0.78548%0.478SS*.THydrogen-bonded Turntrans-77.8-18.1175.6-62.5178.717400113.6W394W394-E396 PolarHBondContact O-N 3.36Å
397S63.3Low60.7Low18 Ų1888 Ų8813%0.12647%0.468CS..THydrogen-bonded Turntrans-88.1-26.8-171.9-59.60000113.7K369 T393 W394 V395K369-S397 WeakPolarHBondContact CA-O 3.41Å; T393-S397 PolarHBondContact O-N 3.28Å; T393-S397 PolarHBondContact O-OG 3.34Å; W394-S397 PolarHBondContact O-N 3.01Å; W394-S397 VanDerWaalsContact O-N 3.11Å; V395-S397 VanDerWaalsContact C-N 3.35Å
398V61.3Low58.9Low20 Ų2086.5 Ų86.512%0.12147%0.465CS..SBendtrans-118.2115.8-178.4-175.40000108.4L368 I378 E400 A402 F403L368-V398 HydrophobicContact CB-CG2 4.04Å; L368-V398 HydrophobicContact CD1-CG2 4.36Å; I378-V398 HydrophobicContact CD1-CG1 4.38Å; V398-E400 PolarHBondContact O-N 3.45Å; V398-A402 HydrophobicContact CG1-CB 4.31Å; V398-F403 HydrophobicContact CG1-CB 4.39Å; V398-F403 HydrophobicContact CG1-CD2 4.1Å
399P62.9Low57.3Low67 Ų6790.7 Ų90.744%0.43549%0.488SS..  trans-56.9138.6176.4-20.330.6000110.7D401 A402 F403P399-D401 PolarHBondContact O-N 3.47Å; P399-A402 PolarHBondContact O-N 2.83Å; P399-F403 PolarHBondContact O-N 2.83Å
400E60.1Low55.5Low134 Ų13489.9 Ų89.963%0.62650%0.504SS*.Hα-helixtrans-53.4-31.8-179.7-74.5-166.5-173.600112.9V398 F403 K404V398-E400 PolarHBondContact O-N 3.45Å; E400-F403 PolarHBondContact O-N 3.15Å; E400-K404 WeakPolarHBondContact O-CG 3.2Å; E400-K404 PolarHBondContact O-N 3.09Å; E400-K404 IonicContact OE2-NZ 2.79Å; E400-K404 PolarHBondContact OE2-NZ 2.66Å
401D59.2Low55Low125 Ų12589.2 Ų89.267%0.66850%0.498SS*.Hα-helixtrans-69.1-35.7-178.9-59.9-28.5000112.4P399 A405P399-D401 PolarHBondContact O-N 3.47Å; D401-A405 WeakPolarHBondContact O-CB 3.35Å; D401-A405 PolarHBondContact O-N 3.11Å; D401-A405 VanDerWaalsContact O-N 3.13Å
402A58.2Low54.4Low16 Ų1690.2 Ų90.213%0.13250%0.501CS..Hα-helixtrans-72.3-32.5175.100000111.9V398 P399 S406V398-A402 HydrophobicContact CG1-CB 4.31Å; P399-A402 PolarHBondContact O-N 2.83Å; A402-S406 PolarHBondContact O-N 3.43Å; A402-S406 PolarHBondContact O-OG 3.13Å
403F55Low53.8Low107 Ų10787.4 Ų87.447%0.46949%0.487SS..Hα-helixtrans-73.7-39.1176-150.9-88.1000112V398 P399 E400 S406 C407V398-F403 HydrophobicContact CG1-CB 4.39Å; V398-F403 HydrophobicContact CG1-CD2 4.1Å; P399-F403 PolarHBondContact O-N 2.83Å; E400-F403 PolarHBondContact O-N 3.15Å; F403-S406 WeakPolarHBondContact CA-OG 3.21Å; F403-S406 PolarHBondContact O-N 3.4Å; F403-S406 PolarHBondContact O-OG 3.13Å; F403-C407 PolarHBondContact O-N 2.92Å; F403-C407 PolarHBondContact O-SG 3.11Å
404K53.8Low53.2Low106 Ų10688.1 Ų88.146%0.46149%0.489SS..Hα-helixtrans-65.3-40.2174.6-74.1168-169.2153.50111.4E400 S406 C407 L408E400-K404 WeakPolarHBondContact O-CG 3.2Å; E400-K404 PolarHBondContact O-N 3.09Å; E400-K404 IonicContact OE2-NZ 2.79Å; E400-K404 PolarHBondContact OE2-NZ 2.66Å; K404-S406 VanDerWaalsContact C-N 3.34Å; K404-S406 PolarHBondContact O-N 3.49Å; K404-C407 PolarHBondContact O-N 3.03Å; K404-L408 WeakPolarHBondContact O-CB 3.32Å; K404-L408 VanDerWaalsContact O-CD1 3.32Å; K404-L408 WeakPolarHBondContact O-CD1 3.4Å; K404-L408 WeakPolarHBondContact O-CG 3.35Å; K404-L408 PolarHBondContact O-N 2.88Å; K404-L408 VanDerWaalsContact O-N 3.13Å
405A51.8Low52.5Low49 Ų4991.7 Ų91.741%0.40551%0.512SS..Hα-helixtrans-66.5-30.2177.800000114.1D401D401-A405 WeakPolarHBondContact O-CB 3.35Å; D401-A405 PolarHBondContact O-N 3.11Å; D401-A405 VanDerWaalsContact O-N 3.13Å
406S46.8Very low51.8Low25 Ų2590.7 Ų90.718%0.17550%0.504CS..Hα-helixtrans-77.6-34.3175.2340000112.8A402 F403 K404A402-S406 PolarHBondContact O-N 3.43Å; A402-S406 PolarHBondContact O-OG 3.13Å; F403-S406 WeakPolarHBondContact CA-OG 3.21Å; F403-S406 PolarHBondContact O-N 3.4Å; F403-S406 PolarHBondContact O-OG 3.13Å; K404-S406 VanDerWaalsContact C-N 3.34Å; K404-S406 PolarHBondContact O-N 3.49Å
407C40Very low51Low75 Ų7585.2 Ų85.251%0.50748%0.483SS..Hα-helixtrans-82.1-16.6179.2-700000114.8F403 K404F403-C407 PolarHBondContact O-N 2.92Å; F403-C407 PolarHBondContact O-SG 3.11Å; K404-C407 PolarHBondContact O-N 3.03Å
408L35.2Very low50.1Low139 Ų13990.4 Ų90.473%0.72851%0.511SS*.THydrogen-bonded Turntrans-82-5.5-175-85.1166.1000115K404K404-L408 WeakPolarHBondContact O-CB 3.32Å; K404-L408 VanDerWaalsContact O-CD1 3.32Å; K404-L408 WeakPolarHBondContact O-CD1 3.4Å; K404-L408 WeakPolarHBondContact O-CG 3.35Å; K404-L408 PolarHBondContact O-N 2.88Å; K404-L408 VanDerWaalsContact O-N 3.13Å
409N36.6Very low49.1Very low137 Ų13796.3 Ų96.373%0.73354%0.543SS*.THydrogen-bonded Turntrans-106.316.2176.7-77.1-19.9000113.7
410C30.1Very low47.9Very low175 Ų17598.9 Ų98.9100%1.18255%0.553SS**  trans-86.90173.3-70.60000112.6

Retrieved 410 of 410 residues in 228.1 ms (Link to these results)