A0A3Q0KKL4_SCHMA Loading...

G protein-coupled receptor kinase

AlphaFold DB , UniProt , Accession A0A3Q0KKL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 699 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.6Low84.5Confident105 Ų10575.9 Ų75.952%0.51741%0.405SS..  0116.60-158.1179.2-60.300105.6N5 I6 I630M1-N5 HydrophobicContact CG-CB 4.25Å; M1-I6 HydrophobicContact CB-CD1 4.33Å; M1-I6 HydrophobicContact CB-CG1 4.27Å; M1-I6 HydrophobicContact CG-CG1 4.12Å; M1-I6 HydrophobicContact SD-CG1 3.99Å; M1-I630 HydrophobicContact CE-CB 4.36Å; M1-I630 HydrophobicContact CE-CD1 3.54Å; M1-I630 HydrophobicContact CE-CG1 4.49Å; M1-I630 HydrophobicContact CE-CG2 3.64Å; M1-I630 HydrophobicContact SD-CD1 4.06Å
2E75.3Confident85.2Confident122 Ų12269.9 Ų69.957%0.5737%0.373SS*.  trans-65.1147.2-176.6-74.4-174.6-177.300110.9E4 N5 I6 L483E2-E4 PolarHBondContact O-N 3.46Å; E2-E4 VanDerWaalsContact O-N 3.1Å; E2-N5 PolarHBondContact O-N 3.44Å; E2-I6 PolarHBondContact O-N 3.48Å; E2-L483 HydrophobicContact CB-CD1 3.66Å; E2-L483 VanDerWaalsContact CD-CD1 3.42Å; E2-L483 HydrophobicContact CG-CD1 3.87Å; E2-L483 WeakPolarHBondContact OE2-CD1 3.43Å
3L84.5Confident85.6Confident137 Ų13766.4 Ų66.472%0.71735%0.353SS*.Hα-helixtrans-50-37.7-175.7-179.564.6000112.5N5 I6 V7L3-N5 PolarHBondContact O-N 2.76Å; L3-I6 PolarHBondContact O-N 3.13Å; L3-V7 HydrophobicContact CD1-CG2 4.13Å; L3-V7 HydrophobicContact CG-CG2 4.28Å; L3-V7 VanDerWaalsContact O-CG2 3.29Å; L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 2.84Å
4E84Confident86Confident124 Ų12473.2 Ų73.258%0.57938%0.378SS*.Hα-helixtrans-60.1-43.7179.5-171.6173.2-17500112.6E2 A8E2-E4 PolarHBondContact O-N 3.46Å; E2-E4 VanDerWaalsContact O-N 3.1Å; E4-A8 WeakPolarHBondContact O-CB 3.32Å; E4-A8 PolarHBondContact O-N 3.47Å
5N86.2Confident86.3Confident2 Ų268.7 Ų68.71%0.01136%0.356CS..Hα-helixtrans-69.2-38.8179.6-166.860.7000111.6M1 E2 L3 N9 D481 V482M1-N5 HydrophobicContact CG-CB 4.25Å; E2-N5 PolarHBondContact O-N 3.44Å; L3-N5 PolarHBondContact O-N 2.76Å; N5-N9 PolarHBondContact ND2-ND2 2.92Å; N5-N9 VanDerWaalsContact O-CB 3.29Å; N5-N9 WeakPolarHBondContact O-CB 3.38Å; N5-N9 PolarHBondContact O-N 3.02Å; N5-N9 PolarHBondContact O-ND2 3.34Å; N5-D481 PolarHBondContact ND2-OD1 3.4Å; N5-D481 WeakPolarHBondContact OD1-CA 3.09Å; N5-V482 PolarHBondContact OD1-N 3.08Å
6I87Confident86.4Confident76 Ų7666.8 Ų66.839%0.3934%0.344SS..Hα-helixtrans-62.6-52.1176.4-61.9173.8000109.5M1 E2 L3 A8 N9 T10M1-I6 HydrophobicContact CB-CD1 4.33Å; M1-I6 HydrophobicContact CB-CG1 4.27Å; M1-I6 HydrophobicContact CG-CG1 4.12Å; M1-I6 HydrophobicContact SD-CG1 3.99Å; E2-I6 PolarHBondContact O-N 3.48Å; L3-I6 PolarHBondContact O-N 3.13Å; I6-A8 VanDerWaalsContact C-N 3.35Å; I6-A8 PolarHBondContact O-N 3.15Å; I6-N9 PolarHBondContact O-N 2.84Å; I6-T10 WeakPolarHBondContact O-CB 3.31Å; I6-T10 PolarHBondContact O-N 3.45Å; I6-T10 PolarHBondContact O-OG1 3.2Å
7V91.6Very high86.2Confident77 Ų7768.1 Ų68.147%0.46734%0.344SS..Hα-helixtrans-59.2-47.2179.4172.70000110.8L3 N9 T10 V11L3-V7 HydrophobicContact CD1-CG2 4.13Å; L3-V7 HydrophobicContact CG-CG2 4.28Å; L3-V7 VanDerWaalsContact O-CG2 3.29Å; L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 2.84Å; V7-N9 VanDerWaalsContact C-N 3.31Å; V7-N9 PolarHBondContact O-N 3.46Å; V7-T10 PolarHBondContact O-N 3.49Å; V7-V11 HydrophobicContact CG1-CG2 4.25Å; V7-V11 WeakPolarHBondContact O-CB 3.42Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 3.35Å
8A90.7Very high85.3Confident22 Ų2266 Ų6618%0.18234%0.336CS..Hα-helixtrans-59.5-41.417900000112.1E4 I6 Y12 R194 V482E4-A8 WeakPolarHBondContact O-CB 3.32Å; E4-A8 PolarHBondContact O-N 3.47Å; I6-A8 VanDerWaalsContact C-N 3.35Å; I6-A8 PolarHBondContact O-N 3.15Å; A8-Y12 WeakPolarHBondContact O-CB 3.23Å; A8-Y12 PolarHBondContact O-N 2.66Å; A8-Y12 VanDerWaalsContact O-N 3.1Å; A8-R194 HydrophobicContact CB-CB 3.95Å; A8-V482 HydrophobicContact CB-CG2 4.26Å
9N90.7Very high83.8Confident20 Ų2065.3 Ų65.311%0.10735%0.347CS..Hα-helixtrans-71.1-48.5178.4-71.9-13.2000112.5N5 I6 V7 V11 Y12 I13 R194 V477N5-N9 PolarHBondContact ND2-ND2 2.92Å; N5-N9 VanDerWaalsContact O-CB 3.29Å; N5-N9 WeakPolarHBondContact O-CB 3.38Å; N5-N9 PolarHBondContact O-N 3.02Å; N5-N9 PolarHBondContact O-ND2 3.34Å; I6-N9 PolarHBondContact O-N 2.84Å; V7-N9 VanDerWaalsContact C-N 3.31Å; V7-N9 PolarHBondContact O-N 3.46Å; N9-V11 VanDerWaalsContact C-N 3.33Å; N9-V11 PolarHBondContact O-N 2.91Å; N9-Y12 PolarHBondContact O-N 3.47Å; N9-Y12 VanDerWaalsContact O-N 3.15Å; N9-I13 WeakPolarHBondContact O-CB 3.42Å; N9-I13 VanDerWaalsContact O-CG1 3.27Å; N9-I13 WeakPolarHBondContact O-CG1 3.5Å; N9-I13 PolarHBondContact O-N 3.17Å; N9-R194 PolarHBondContact OD1-NH1 2.62Å; N9-V477 HydrophobicContact CB-CG2 4.44Å
10T91.8Very high82.6Confident77 Ų7768.4 Ų68.447%0.47236%0.364SS..Hα-helixtrans-60.4-44.8-179.6-570000111I6 V7 Y12 K14I6-T10 WeakPolarHBondContact O-CB 3.31Å; I6-T10 PolarHBondContact O-N 3.45Å; I6-T10 PolarHBondContact O-OG1 3.2Å; V7-T10 PolarHBondContact O-N 3.49Å; T10-Y12 VanDerWaalsContact C-N 3.31Å; T10-Y12 PolarHBondContact O-N 3.02Å; T10-K14 WeakPolarHBondContact O-CB 3.34Å; T10-K14 PolarHBondContact O-N 2.79Å
11V92.2Very high81.3Confident73 Ų7372.2 Ų72.244%0.44238%0.384SS..Hα-helixtrans-65.1-38.1177.8176.90000110.8V7 N9 A15 Y193V7-V11 HydrophobicContact CG1-CG2 4.25Å; V7-V11 WeakPolarHBondContact O-CB 3.42Å; V7-V11 WeakPolarHBondContact O-CG2 3.48Å; V7-V11 PolarHBondContact O-N 3.35Å; N9-V11 VanDerWaalsContact C-N 3.33Å; N9-V11 PolarHBondContact O-N 2.91Å; V11-A15 PolarHBondContact O-N 3.34Å; V11-A15 VanDerWaalsContact O-N 3.08Å; V11-Y193 HydrophobicContact CG1-CD1 3.79Å; V11-Y193 HydrophobicContact CG1-CE1 3.7Å
12Y92.7Very high81.6Confident4 Ų470.3 Ų70.32%0.01639%0.392CS..Hα-helixtrans-69.2-46.4177.8-178.4-123.8000113.5A8 N9 T10 K14 A15 K16 Y193 R194 L196 A206 I269 N271 V477A8-Y12 WeakPolarHBondContact O-CB 3.23Å; A8-Y12 PolarHBondContact O-N 2.66Å; A8-Y12 VanDerWaalsContact O-N 3.1Å; N9-Y12 PolarHBondContact O-N 3.47Å; N9-Y12 VanDerWaalsContact O-N 3.15Å; T10-Y12 VanDerWaalsContact C-N 3.31Å; T10-Y12 PolarHBondContact O-N 3.02Å; Y12-K14 VanDerWaalsContact C-N 3.27Å; Y12-K14 PolarHBondContact O-N 2.78Å; Y12-A15 CarbonylContact O-C 2.96Å; Y12-A15 WeakPolarHBondContact O-CA 3.47Å; Y12-A15 WeakPolarHBondContact O-CB 3.38Å; Y12-A15 PolarHBondContact O-N 3.42Å; Y12-K16 HydrophobicContact CD1-CD 4.33Å; Y12-K16 HydrophobicContact CE1-CD 3.88Å; Y12-K16 HydrophobicContact CE1-CG 4.27Å; Y12-K16 HydrophobicContact CE2-CG 4.29Å; Y12-K16 PolarHBondContact O-N 3.41Å; Y12-Y193 HydrophobicContact CD2-CG 4.46Å; Y12-R194 HydrophobicContact CD1-CG 4.03Å; Y12-R194 HydrophobicContact CD2-CG 4.34Å; Y12-R194 HydrophobicContact CG-CG 3.86Å; Y12-L196 HydrophobicContact CE1-CD2 4.35Å; Y12-A206 HydrophobicContact CD2-CB 3.84Å; Y12-A206 HydrophobicContact CE2-CB 3.25Å; Y12-I269 HydrophobicContact CE2-CD1 4.27Å; Y12-I269 WeakPolarHBondContact OH-CD1 3.18Å; Y12-N271 PolarHBondContact OH-OD1 2.65Å; Y12-V477 HydrophobicContact CD1-CG1 4.35Å; Y12-V477 HydrophobicContact CD1-CG2 4.18Å; Y12-V477 HydrophobicContact CE1-CG1 4.42Å
13I91.1Very high81.3Confident24 Ų2469.6 Ų69.612%0.12339%0.392CS..Hα-helixtrans-59.2-42.9176.5-68.5163.7000109.8N9 A15 K16 R17 H475 V477N9-I13 WeakPolarHBondContact O-CB 3.42Å; N9-I13 VanDerWaalsContact O-CG1 3.27Å; N9-I13 WeakPolarHBondContact O-CG1 3.5Å; N9-I13 PolarHBondContact O-N 3.17Å; I13-A15 VanDerWaalsContact C-N 3.3Å; I13-A15 PolarHBondContact O-N 3.32Å; I13-K16 WeakPolarHBondContact O-CB 3.3Å; I13-K16 PolarHBondContact O-N 2.74Å; I13-R17 PolarHBondContact O-N 3.48Å; I13-H475 WeakPolarHBondContact CD1-O 3.33Å; I13-V477 HydrophobicContact CD1-CG2 4.03Å; I13-V477 HydrophobicContact CG1-CG2 3.87Å
14K90.2Very high81.1Confident162 Ų16267.3 Ų67.370%0.70438%0.376SS*.Hα-helixtrans-59.2-41.7174.1-174.3173.6-178.1173.80111.9T10 Y12 R17T10-K14 WeakPolarHBondContact O-CB 3.34Å; T10-K14 PolarHBondContact O-N 2.79Å; Y12-K14 VanDerWaalsContact C-N 3.27Å; Y12-K14 PolarHBondContact O-N 2.78Å; K14-R17 PolarHBondContact O-N 3.44Å
15A90.7Very high81.3Confident5 Ų561.8 Ų61.84%0.04135%0.353CS..Hα-helixtrans-66.6-37.5176.900000112.7V11 Y12 I13 R17 S18 Y193 L215V11-A15 PolarHBondContact O-N 3.34Å; V11-A15 VanDerWaalsContact O-N 3.08Å; Y12-A15 CarbonylContact O-C 2.96Å; Y12-A15 WeakPolarHBondContact O-CA 3.47Å; Y12-A15 WeakPolarHBondContact O-CB 3.38Å; Y12-A15 PolarHBondContact O-N 3.42Å; I13-A15 VanDerWaalsContact C-N 3.3Å; I13-A15 PolarHBondContact O-N 3.32Å; A15-R17 PolarHBondContact O-N 3.13Å; A15-S18 VanDerWaalsContact C-OG 3.32Å; A15-S18 WeakPolarHBondContact CA-OG 3.46Å; A15-S18 VanDerWaalsContact O-CB 3.32Å; A15-S18 WeakPolarHBondContact O-CB 3.23Å; A15-S18 PolarHBondContact O-N 3.23Å; A15-S18 PolarHBondContact O-OG 3.33Å; A15-Y193 HydrophobicContact CB-CD1 4.1Å; A15-Y193 HydrophobicContact CB-CE1 3.46Å; A15-Y193 VanDerWaalsContact CB-CE1 3.46Å; A15-Y193 HydrophobicContact CB-CE2 4.23Å; A15-L215 HydrophobicContact CB-CD2 4.31Å
16K87.8Confident81.7Confident38 Ų3863.2 Ų63.217%0.16536%0.358CS..Hα-helixtrans-59-36.7174.4-72.2-176.665.9-173.10112.4Y12 I13 S18 L215 D326 P474Y12-K16 HydrophobicContact CD1-CD 4.33Å; Y12-K16 HydrophobicContact CE1-CD 3.88Å; Y12-K16 HydrophobicContact CE1-CG 4.27Å; Y12-K16 HydrophobicContact CE2-CG 4.29Å; Y12-K16 PolarHBondContact O-N 3.41Å; I13-K16 WeakPolarHBondContact O-CB 3.3Å; I13-K16 PolarHBondContact O-N 2.74Å; K16-S18 VanDerWaalsContact C-N 3.26Å; K16-S18 PolarHBondContact O-N 3.3Å; K16-L215 HydrophobicContact CB-CD1 4.4Å; K16-L215 HydrophobicContact CG-CD1 4.09Å; K16-D326 VanDerWaalsContact CE-OD1 3.23Å; K16-D326 WeakPolarHBondContact CE-OD1 3.18Å; K16-D326 IonicContact NZ-OD1 2.85Å; K16-D326 PolarHBondContact NZ-OD1 2.95Å; K16-D326 VanDerWaalsContact NZ-OD1 3.08Å; K16-P474 PolarHBondContact NZ-O 3.45Å
17R82.7Confident82Confident90 Ų9060.7 Ų60.734%0.3435%0.347SS..THydrogen-bonded Turntrans-81.97.7179.8-63.5-172.6-173177.34.8114.6I13 K14 A15 G19 D20 H475I13-R17 PolarHBondContact O-N 3.48Å; K14-R17 PolarHBondContact O-N 3.44Å; A15-R17 PolarHBondContact O-N 3.13Å; R17-G19 PolarHBondContact O-N 3.39Å; R17-D20 PolarHBondContact O-N 3Å; R17-D20 VanDerWaalsContact O-N 3.15Å; R17-H475 PolarHBondContact NE-CE1 2.84Å; R17-H475 PolarHBondContact NE-ND1 3.38Å; R17-H475 PolarHBondContact NH2-CE1 3.32Å; R17-H475 VanDerWaalsContact NH2-CG 3.27Å; R17-H475 PolarHBondContact NH2-ND1 3.26Å; R17-H475 PolarHBondContact NH2-NE2 3.08Å
18S70.9Confident82.1Confident30 Ų3069.1 Ų69.121%0.2137%0.37CS..THydrogen-bonded Turntrans-69.740-178.9-41.90000113.7A15 K16 D23 K24A15-S18 VanDerWaalsContact C-OG 3.32Å; A15-S18 WeakPolarHBondContact CA-OG 3.46Å; A15-S18 VanDerWaalsContact O-CB 3.32Å; A15-S18 WeakPolarHBondContact O-CB 3.23Å; A15-S18 PolarHBondContact O-N 3.23Å; A15-S18 PolarHBondContact O-OG 3.33Å; K16-S18 VanDerWaalsContact C-N 3.26Å; K16-S18 PolarHBondContact O-N 3.3Å; S18-D23 CarbonylContact C-O 3.49Å; S18-D23 VanDerWaalsContact CA-O 3.27Å; S18-D23 WeakPolarHBondContact CA-O 3.45Å; S18-K24 CarbonylContact O-C 3.51Å; S18-K24 WeakPolarHBondContact O-CA 3.47Å
19G56Low82.3Confident52 Ų5275.3 Ų75.354%0.53639%0.393SS..THydrogen-bonded Turntrans-143.9-22.5174.300000112.4R17R17-G19 PolarHBondContact O-N 3.39Å
20D59.4Low82.5Confident128 Ų12876 Ų7668%0.68439%0.394SS*.THydrogen-bonded Turntrans-78.8-35.9-173.7-60.9-23.1000112.6R17R17-D20 PolarHBondContact O-N 3Å; R17-D20 VanDerWaalsContact O-N 3.15Å
21D55.6Low82.7Confident148 Ų14878.1 Ų78.179%0.79140%0.397SS*.THydrogen-bonded Turntrans-96.215.6-174.4-67.5-27.2000113.5D23D21-D23 PolarHBondContact O-N 3.14Å
22G62.3Low82.8Confident66 Ų6680 Ų8068%0.6841%0.408SS*.SBendtrans72.4-13.4-173.500000115K24G22-K24 PolarHBondContact O-N 3.43Å
23D69.1Low83Confident107 Ų10784.5 Ų84.557%0.57243%0.432SS*.  trans-76.696.4166.2-1762000109.6S18 D21 G25S18-D23 CarbonylContact C-O 3.49Å; S18-D23 VanDerWaalsContact CA-O 3.27Å; S18-D23 WeakPolarHBondContact CA-O 3.45Å; D21-D23 PolarHBondContact O-N 3.14Å; D23-G25 PolarHBondContact O-N 3.39Å; D23-G25 PolarHBondContact OD1-N 3.14Å
24K79.9Confident83.3Confident89 Ų8984 Ų8439%0.38743%0.43SS..  trans-656.7177.4-61.9-176.6-178.7-178.70114.1S18 G22 R26 G213 D528S18-K24 CarbonylContact O-C 3.51Å; S18-K24 WeakPolarHBondContact O-CA 3.47Å; G22-K24 PolarHBondContact O-N 3.43Å; K24-R26 HydrophobicContact CB-CG 4.04Å; K24-R26 PolarHBondContact O-N 3.5Å; K24-G213 WeakPolarHBondContact O-CA 3.36Å; K24-D528 IonicContact NZ-OD2 2.98Å
25G89.6Confident83.6Confident8 Ų878.9 Ų78.98%0.08242%0.418CS..SBendtrans744.6-178.400000114.9D23 R191D23-G25 PolarHBondContact O-N 3.39Å; D23-G25 PolarHBondContact OD1-N 3.14Å; G25-R191 PolarHBondContact O-NH1 3Å
26R93.1Very high83.9Confident32 Ų3280 Ų8012%0.12142%0.422CS..  trans-70.6144.1-176.4-61.6-172.8-167.8163.41.9111.4K24 W30 A211 T212 T523 G524 C525 D528K24-R26 HydrophobicContact CB-CG 4.04Å; K24-R26 PolarHBondContact O-N 3.5Å; R26-W30 HydrophobicContact CB-CB 4.21Å; R26-W30 HydrophobicContact CB-CG 4.09Å; R26-A211 WeakPolarHBondContact CB-O 3.49Å; R26-A211 VanDerWaalsContact CG-O 3.31Å; R26-A211 WeakPolarHBondContact CG-O 3.46Å; R26-T212 WeakPolarHBondContact CG-O 3.42Å; R26-T523 PolarHBondContact NH2-O 3.08Å; R26-G524 VanDerWaalsContact NH2-C 3.26Å; R26-G524 PolarHBondContact NH2-O 3.14Å; R26-C525 VanDerWaalsContact CZ-SG 3.58Å; R26-C525 PolarHBondContact NE-SG 3.21Å; R26-D528 IonicContact CZ-OD2 3.67Å; R26-D528 VanDerWaalsContact CZ-OD2 3.27Å; R26-D528 IonicContact NH1-OD2 2.66Å; R26-D528 PolarHBondContact NH1-OD2 2.92Å; R26-D528 IonicContact NH2-OD2 2.84Å; R26-D528 PolarHBondContact NH2-OD2 3.35Å
27S94.2Very high84.3Confident22 Ų2278.7 Ų78.715%0.15442%0.417CS..  trans-57.3142.4167.7177.20000111.1K29 W30 R210S27-K29 PolarHBondContact O-N 3.03Å; S27-K29 PolarHBondContact OG-N 3.08Å; S27-W30 VanDerWaalsContact O-CB 3.23Å; S27-W30 WeakPolarHBondContact O-CB 3.19Å; S27-W30 PolarHBondContact O-N 3.18Å; S27-R210 WeakPolarHBondContact CB-O 3.5Å; S27-R210 PolarHBondContact N-O 3.48Å
28R93.8Very high85Confident255 Ų25575.3 Ų75.396%0.96241%0.405SS*.THydrogen-bonded Turntrans-55.6-22.6170.9-67.7-175.5179.3175.8-0.8113.6
29K94.5Very high86.2Confident152 Ų15274.7 Ų74.766%0.66140%0.399SS*.THydrogen-bonded Turntrans-99.616.7177.7-60-174.8178.8-177.80113.4S27 K31 T32 L33S27-K29 PolarHBondContact O-N 3.03Å; S27-K29 PolarHBondContact OG-N 3.08Å; K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 3.1Å; K29-T32 WeakPolarHBondContact O-CB 3.37Å; K29-T32 PolarHBondContact O-N 2.86Å; K29-L33 PolarHBondContact O-N 3.04Å; K29-L33 VanDerWaalsContact O-N 3.1Å
30W95.9Very high88Confident35 Ų3574.9 Ų74.913%0.13339%0.392CS..Hα-helixtrans-59.7-38.7-17174-89.3000113.9R26 S27 T32 L33 L34 A211 C525 D528 L529R26-W30 HydrophobicContact CB-CB 4.21Å; R26-W30 HydrophobicContact CB-CG 4.09Å; S27-W30 VanDerWaalsContact O-CB 3.23Å; S27-W30 WeakPolarHBondContact O-CB 3.19Å; S27-W30 PolarHBondContact O-N 3.18Å; W30-T32 PolarHBondContact O-N 2.78Å; W30-L33 WeakPolarHBondContact O-CB 3.43Å; W30-L33 PolarHBondContact O-N 2.92Å; W30-L34 HydrophobicContact CE3-CD1 4.32Å; W30-L34 PolarHBondContact O-N 3.1Å; W30-A211 WeakPolarHBondContact CB-O 3.31Å; W30-C525 HydrophobicContact CZ3-CB 4.44Å; W30-D528 HydrophobicContact CH2-CB 3.65Å; W30-D528 HydrophobicContact CZ2-CB 4.27Å; W30-L529 HydrophobicContact CH2-CD2 4Å; W30-L529 HydrophobicContact CH2-CG 3.96Å; W30-L529 HydrophobicContact CZ3-CD1 3.76Å; W30-L529 HydrophobicContact CZ3-CD2 3.85Å; W30-L529 HydrophobicContact CZ3-CG 3.65Å
31K94.7Very high89.7Confident120 Ų12072.6 Ų72.652%0.52238%0.38SS..Hα-helixtrans-61.7-33.1175.5-67.3-165.7175-166.40112.7K29 L34 A35 L529K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 3.1Å; K31-L34 CarbonylContact O-C 3.49Å; K31-A35 WeakPolarHBondContact O-CA 3.34Å; K31-A35 PolarHBondContact O-N 2.96Å; K31-A35 VanDerWaalsContact O-N 3.09Å; K31-L529 HydrophobicContact CG-CD2 4.36Å
32T95.4Very high91.7Very high112 Ų11265.5 Ų65.569%0.68734%0.343SS*.Hα-helixtrans-72.6-36.7174.2-48.70000111.4K29 W30 L34K29-T32 WeakPolarHBondContact O-CB 3.37Å; K29-T32 PolarHBondContact O-N 2.86Å; W30-T32 PolarHBondContact O-N 2.78Å; T32-L34 VanDerWaalsContact C-N 3.29Å; T32-L34 PolarHBondContact O-N 3.03Å
33L95.7Very high93Very high99 Ų9966 Ų6652%0.51834%0.335SS..Hα-helixtrans-68.5-28.5177.5-65.7173.3000112.7K29 W30 R210 A211K29-L33 PolarHBondContact O-N 3.04Å; K29-L33 VanDerWaalsContact O-N 3.1Å; W30-L33 WeakPolarHBondContact O-CB 3.43Å; W30-L33 PolarHBondContact O-N 2.92Å; L33-R210 HydrophobicContact CD1-CB 4.4Å; L33-A211 HydrophobicContact CB-CB 4.13Å; L33-A211 HydrophobicContact CD1-CB 4.22Å
34L96.9Very high94.3Very high14 Ų1465.8 Ų65.87%0.07333%0.327CS..THydrogen-bonded Turntrans-114.930.4179.4-62.4177.8000112.2W30 K31 T32 F36 A211 T212 M520 C525 L529W30-L34 HydrophobicContact CE3-CD1 4.32Å; W30-L34 PolarHBondContact O-N 3.1Å; K31-L34 CarbonylContact O-C 3.49Å; T32-L34 VanDerWaalsContact C-N 3.29Å; T32-L34 PolarHBondContact O-N 3.03Å; L34-F36 PolarHBondContact O-N 3.31Å; L34-A211 HydrophobicContact CD1-CB 3.85Å; L34-A211 HydrophobicContact CD2-CB 4.24Å; L34-A211 HydrophobicContact CG-CB 3.83Å; L34-T212 HydrophobicContact CD1-CG2 4.4Å; L34-M520 HydrophobicContact CD1-SD 4.04Å; L34-C525 HydrophobicContact CD1-CB 4.37Å; L34-L529 HydrophobicContact CB-CD1 3.69Å; L34-L529 HydrophobicContact CD1-CD1 4.19Å
35A96.6Very high95.1Very high55 Ų5561.5 Ų61.546%0.45531%0.309SS..PPolyproline II helixtrans-69.5126178.700000110.3K31 L180K31-A35 WeakPolarHBondContact O-CA 3.34Å; K31-A35 PolarHBondContact O-N 2.96Å; K31-A35 VanDerWaalsContact O-N 3.09Å; A35-L180 WeakPolarHBondContact O-CD2 3.28Å
36F97.4Very high95.3Very high27 Ų2765.5 Ų65.512%0.11832%0.324CS..PPolyproline II helixtrans-63140.7178.2-70.9-57000112L34 Q176 W177 L180 L529 N542L34-F36 PolarHBondContact O-N 3.31Å; F36-Q176 HydrophobicContact CB-CB 4.47Å; F36-Q176 HydrophobicContact CD1-CB 3.61Å; F36-Q176 HydrophobicContact CE1-CB 4.1Å; F36-Q176 HydrophobicContact CG-CB 4.21Å; F36-W177 AromaticContact CE1-CD2 3.8Å; F36-W177 HydrophobicContact CE1-CD2 3.8Å; F36-W177 AromaticContact CE1-CE2 3.81Å; F36-W177 HydrophobicContact CE1-CE3 4.22Å; F36-W177 HydrophobicContact CE1-CG 4.07Å; F36-W177 HydrophobicContact CE1-CZ2 4.22Å; F36-W177 AromaticContact CZ-CD2 3.97Å; F36-W177 HydrophobicContact CZ-CD2 3.97Å; F36-W177 AromaticContact CZ-CE2 3.46Å; F36-W177 VanDerWaalsContact CZ-CE2 3.46Å; F36-W177 HydrophobicContact CZ-CG 4.42Å; F36-W177 HydrophobicContact CZ-CH2 4.2Å; F36-W177 AromaticContact CZ-CZ2 3.59Å; F36-W177 HydrophobicContact CZ-CZ2 3.59Å; F36-W177 AromaticContact CZ-NE1 3.64Å; F36-L180 HydrophobicContact CD1-CD1 3.48Å; F36-L180 VanDerWaalsContact CD1-CD1 3.48Å; F36-L180 HydrophobicContact CD1-CG 4.06Å; F36-L180 HydrophobicContact CE1-CD1 3.44Å; F36-L180 VanDerWaalsContact CE1-CD1 3.44Å; F36-L180 HydrophobicContact CE1-CG 4.35Å; F36-L180 HydrophobicContact CG-CD1 4.49Å; F36-L180 HydrophobicContact CZ-CD1 4.42Å; F36-L529 HydrophobicContact CE2-CB 4.11Å; F36-L529 WeakPolarHBondContact CE2-O 3.27Å; F36-L529 HydrophobicContact CZ-CB 4.34Å; F36-N542 HydrophobicContact CB-CB 4.36Å
37P96.4Very high95.4Very high12 Ų1273.1 Ų73.18%0.07836%0.358CS..PPolyproline II helixtrans-68.7160166.636.1-40.5000110.1N41 C42 Q176 W179P37-N41 HydrophobicContact CB-CB 4.21Å; P37-C42 WeakPolarHBondContact CG-SG 3.14Å; P37-Q176 HydrophobicContact CG-CG 4.48Å; P37-Q176 PolarHBondContact O-NE2 3.48Å; P37-W179 HydrophobicContact CB-CD2 3.92Å; P37-W179 HydrophobicContact CB-CE3 4Å; P37-W179 HydrophobicContact CB-CG 4.4Å; P37-W179 HydrophobicContact CB-CH2 4.4Å; P37-W179 HydrophobicContact CB-CZ2 4.32Å; P37-W179 HydrophobicContact CB-CZ3 4.24Å; P37-W179 HydrophobicContact CG-CB 3.96Å; P37-W179 HydrophobicContact CG-CD2 3.52Å; P37-W179 HydrophobicContact CG-CE3 3.57Å; P37-W179 HydrophobicContact CG-CG 3.68Å; P37-W179 HydrophobicContact CG-CZ3 4.26Å
38H97.1Very high95.3Very high19 Ų1976.3 Ų76.39%0.08838%0.379CS..PPolyproline II helixtrans-63.5143.9165.8-175.5-96.6000110.6S40 N41 D541 N542 N544 T547 P549H38-S40 WeakPolarHBondContact ND1-CB 3.33Å; H38-S40 PolarHBondContact ND1-N 3.07Å; H38-S40 PolarHBondContact ND1-OG 3.32Å; H38-S40 PolarHBondContact O-N 3Å; H38-S40 VanDerWaalsContact O-N 3.12Å; H38-N41 WeakPolarHBondContact O-CB 3.24Å; H38-N41 PolarHBondContact O-N 2.79Å; H38-D541 PolarHBondContact CD2-O 2.86Å; H38-D541 VanDerWaalsContact CD2-O 3.3Å; H38-N542 CarbonylContact C-O 3.59Å; H38-N542 WeakPolarHBondContact CA-O 3.43Å; H38-N544 PolarHBondContact NE2-O 3.09Å; H38-T547 PolarHBondContact CD2-O 2.98Å; H38-T547 PolarHBondContact NE2-O 2.85Å; H38-T547 VanDerWaalsContact NE2-O 3.14Å; H38-P549 HydrophobicContact CB-CG 3.95Å; H38-P549 VanDerWaalsContact CG-CD 3.49Å
39I95.9Very high95.4Very high16 Ų1665.3 Ų65.38%0.08234%0.339CS..G310 helixtrans-58.1-30.5-171.9-171.357.9000113.9N41 C42 N172 Q176 N542 P545I39-N41 PolarHBondContact O-N 3.25Å; I39-C42 HydrophobicContact CD1-CB 4.22Å; I39-C42 WeakPolarHBondContact O-CB 3.01Å; I39-C42 PolarHBondContact O-N 2.97Å; I39-N172 HydrophobicContact CD1-CB 3.58Å; I39-N172 VanDerWaalsContact CD1-O 3.31Å; I39-N172 WeakPolarHBondContact CD1-O 3.3Å; I39-N172 HydrophobicContact CG1-CB 4.04Å; I39-Q176 HydrophobicContact CD1-CG 4.19Å; I39-N542 PolarHBondContact N-O 3.39Å; I39-P545 HydrophobicContact CG2-CG 4.32Å
40S94.5Very high95.5Very high56 Ų5662.2 Ų62.239%0.39233%0.33SS..G310 helixtrans-55.8-3417458.50000112.7H38 C42 S43H38-S40 WeakPolarHBondContact ND1-CB 3.33Å; H38-S40 PolarHBondContact ND1-N 3.07Å; H38-S40 PolarHBondContact ND1-OG 3.32Å; H38-S40 PolarHBondContact O-N 3Å; H38-S40 VanDerWaalsContact O-N 3.12Å; S40-C42 PolarHBondContact O-N 2.99Å; S40-S43 WeakPolarHBondContact O-CB 3.42Å; S40-S43 PolarHBondContact O-N 2.84Å; S40-S43 PolarHBondContact O-OG 2.82Å
41N95.4Very high95.6Very high80 Ų8063.4 Ų63.443%0.42834%0.339SS..G310 helixtrans-76.1-12.5-178.2-61.428.2000112.2P37 H38 I39 Y44P37-N41 HydrophobicContact CB-CB 4.21Å; H38-N41 WeakPolarHBondContact O-CB 3.24Å; H38-N41 PolarHBondContact O-N 2.79Å; I39-N41 PolarHBondContact O-N 3.25Å; N41-Y44 WeakPolarHBondContact O-CD1 3.29Å; N41-Y44 VanDerWaalsContact O-CE1 3.31Å; N41-Y44 WeakPolarHBondContact O-CE1 3.16Å
42C96.5Very high95.7Very high0 Ų059.5 Ų59.50%033%0.327CS..G310 helixtrans-96.9-8.5178.8-56.10000112.8P37 I39 S40 Y44 L45 L175P37-C42 WeakPolarHBondContact CG-SG 3.14Å; I39-C42 HydrophobicContact CD1-CB 4.22Å; I39-C42 WeakPolarHBondContact O-CB 3.01Å; I39-C42 PolarHBondContact O-N 2.97Å; S40-C42 PolarHBondContact O-N 2.99Å; C42-Y44 VanDerWaalsContact C-N 3.25Å; C42-Y44 PolarHBondContact O-N 3.2Å; C42-Y44 VanDerWaalsContact O-N 3.16Å; C42-L45 HydrophobicContact CB-CD1 4.24Å; C42-L45 VanDerWaalsContact O-CB 3.26Å; C42-L45 WeakPolarHBondContact O-CB 3.39Å; C42-L45 PolarHBondContact O-N 2.95Å; C42-L175 HydrophobicContact CB-CB 3.9Å
43S90.6Very high95.8Very high76 Ų7654.8 Ų54.853%0.53130%0.296SS..THydrogen-bonded Turntrans-55-37-172.556.50000113.8S40 L45 K46S40-S43 WeakPolarHBondContact O-CB 3.42Å; S40-S43 PolarHBondContact O-N 2.84Å; S40-S43 PolarHBondContact O-OG 2.82Å; S43-L45 PolarHBondContact O-N 2.9Å; S43-K46 PolarHBondContact O-N 3.28Å
44Y95.2Very high95.9Very high102 Ų10253.5 Ų53.540%0.429%0.29SS..THydrogen-bonded Turntrans-62.9-27.3178.280-85.9000113.1N41 C42 K46 K47N41-Y44 WeakPolarHBondContact O-CD1 3.29Å; N41-Y44 VanDerWaalsContact O-CE1 3.31Å; N41-Y44 WeakPolarHBondContact O-CE1 3.16Å; C42-Y44 VanDerWaalsContact C-N 3.25Å; C42-Y44 PolarHBondContact O-N 3.2Å; C42-Y44 VanDerWaalsContact O-N 3.16Å; Y44-K46 PolarHBondContact O-N 2.98Å; Y44-K47 WeakPolarHBondContact O-CB 3.45Å; Y44-K47 PolarHBondContact O-N 2.71Å
45L96.6Very high95.9Very high0 Ų054.8 Ų54.80%030%0.295CS..Hα-helixtrans-64.2-28.6-177.5-67.3171.4000112.3C42 S43 K47 C48 L49 L175 K178 W179 K182C42-L45 HydrophobicContact CB-CD1 4.24Å; C42-L45 VanDerWaalsContact O-CB 3.26Å; C42-L45 WeakPolarHBondContact O-CB 3.39Å; C42-L45 PolarHBondContact O-N 2.95Å; S43-L45 PolarHBondContact O-N 2.9Å; L45-K47 PolarHBondContact O-N 3.15Å; L45-K47 VanDerWaalsContact O-N 3.15Å; L45-C48 PolarHBondContact O-N 2.69Å; L45-C48 VanDerWaalsContact O-N 3.1Å; L45-L49 HydrophobicContact CB-CD1 3.99Å; L45-L49 HydrophobicContact CB-CG 4.44Å; L45-L49 WeakPolarHBondContact O-CB 3.19Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.35Å; L45-L49 PolarHBondContact O-N 2.85Å; L45-L175 HydrophobicContact CB-CD2 4.01Å; L45-L175 VanDerWaalsContact CD1-O 3.28Å; L45-L175 WeakPolarHBondContact CD1-O 3.32Å; L45-K178 HydrophobicContact CD1-CB 4.19Å; L45-W179 HydrophobicContact CD1-CB 3.91Å; L45-K182 HydrophobicContact CD2-CD 3.66Å
46K94.8Very high96Very high91 Ų9152.1 Ų52.140%0.39627%0.273SS..Hα-helixtrans-59.3-25.8174.2-64.6-170.4-179.9-171.30112.7S43 Y44 F171 L175S43-K46 PolarHBondContact O-N 3.28Å; Y44-K46 PolarHBondContact O-N 2.98Å; K46-F171 HydrophobicContact CD-CE1 4.31Å; K46-F171 HydrophobicContact CG-CE1 4.2Å; K46-L175 HydrophobicContact CD-CD1 4.12Å; K46-L175 HydrophobicContact CG-CD1 3.58Å; K46-L175 HydrophobicContact CG-CD2 4.36Å
47K94.3Very high96Very high192 Ų19251 Ų5184%0.83527%0.268SS*.Hα-helixtrans-89.7-17180-58.4-178.2-179.2-179.30113.3Y44 L45Y44-K47 WeakPolarHBondContact O-CB 3.45Å; Y44-K47 PolarHBondContact O-N 2.71Å; L45-K47 PolarHBondContact O-N 3.15Å; L45-K47 VanDerWaalsContact O-N 3.15Å
48C94Very high95.9Very high89 Ų8953.9 Ų53.960%0.60128%0.281SS*.Hα-helixtrans-112.7-9.7-171.7-57.20000113.6L45L45-C48 PolarHBondContact O-N 2.69Å; L45-C48 VanDerWaalsContact O-N 3.1Å
49L95.3Very high95.8Very high25 Ų2557.9 Ų57.913%0.13130%0.299CS..SBendtrans-99.6145.9178.9-66.6173.6000109.9L45 L51 Y174 L175 K178L45-L49 HydrophobicContact CB-CD1 3.99Å; L45-L49 HydrophobicContact CB-CG 4.44Å; L45-L49 WeakPolarHBondContact O-CB 3.19Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.35Å; L45-L49 PolarHBondContact O-N 2.85Å; L49-L51 HydrophobicContact CB-CD2 4.04Å; L49-L51 PolarHBondContact O-N 2.65Å; L49-Y174 HydrophobicContact CD1-CE1 4.46Å; L49-L175 HydrophobicContact CD1-CD2 3.86Å; L49-K178 HydrophobicContact CD1-CB 4.23Å; L49-K178 HydrophobicContact CD1-CG 4.01Å
50D96.8Very high95.9Very high86 Ų8657.4 Ų57.446%0.4630%0.297SS..  trans-65125.1160.1-179.3-6.1000108.3S52 F55D50-S52 VanDerWaalsContact CG-OG 3.28Å; D50-S52 WeakPolarHBondContact OD1-CB 3.49Å; D50-S52 PolarHBondContact OD1-N 3.45Å; D50-S52 PolarHBondContact OD1-OG 3.48Å; D50-S52 PolarHBondContact OD2-OG 3.13Å; D50-F55 HydrophobicContact CB-CB 4.03Å; D50-F55 HydrophobicContact CB-CD1 3.86Å; D50-F55 HydrophobicContact CB-CD2 4.31Å; D50-F55 HydrophobicContact CB-CE1 4.38Å; D50-F55 HydrophobicContact CB-CG 3.8Å; D50-F55 WeakPolarHBondContact O-CD1 3.41Å; D50-F55 WeakPolarHBondContact OD2-CB 3.49Å
51L96.8Very high96.1Very high61 Ų6155.8 Ų55.832%0.31929%0.285SS..  trans-103.321-178.3-56.7-171.3000112.7L49 I56 F162 F171L49-L51 HydrophobicContact CB-CD2 4.04Å; L49-L51 PolarHBondContact O-N 2.65Å; L51-I56 HydrophobicContact CD2-CD1 4.1Å; L51-F162 VanDerWaalsContact O-CE1 3.28Å; L51-F162 WeakPolarHBondContact O-CE1 3.48Å; L51-F162 WeakPolarHBondContact O-CZ 3.44Å; L51-F171 HydrophobicContact CD2-CE2 4.29Å; L51-F171 HydrophobicContact CD2-CZ 3.74Å
52S97.4Very high96.2Very high38 Ų3852 Ų5227%0.26627%0.265SS..  trans-77154.9174.467.70000112.8D50 D54 F55 I56 F162D50-S52 VanDerWaalsContact CG-OG 3.28Å; D50-S52 WeakPolarHBondContact OD1-CB 3.49Å; D50-S52 PolarHBondContact OD1-N 3.45Å; D50-S52 PolarHBondContact OD1-OG 3.48Å; D50-S52 PolarHBondContact OD2-OG 3.13Å; S52-D54 VanDerWaalsContact C-N 3.34Å; S52-F55 PolarHBondContact O-N 3.41Å; S52-F55 VanDerWaalsContact OG-CB 3.31Å; S52-F55 WeakPolarHBondContact OG-CB 3.38Å; S52-F55 PolarHBondContact OG-N 3.47Å; S52-I56 PolarHBondContact O-N 2.82Å; S52-F162 VanDerWaalsContact C-CZ 3.47Å
53Y98.1Very high96.3Very high13 Ų1352 Ų525%0.05127%0.265CS..Hα-helixtrans-61.6-42.9173.5178.8-87.1000111.3F55 I56 V57 E58 F67 L157 R158 F162Y53-F55 VanDerWaalsContact C-N 3.32Å; Y53-F55 PolarHBondContact O-N 2.84Å; Y53-I56 PolarHBondContact O-N 3.46Å; Y53-V57 HydrophobicContact CD1-CB 4.39Å; Y53-V57 HydrophobicContact CD2-CB 3.85Å; Y53-V57 HydrophobicContact CD2-CG1 4.31Å; Y53-V57 HydrophobicContact CD2-CG2 3.7Å; Y53-V57 HydrophobicContact CE1-CB 4.23Å; Y53-V57 HydrophobicContact CE1-CG1 4.32Å; Y53-V57 HydrophobicContact CE2-CB 3.68Å; Y53-V57 HydrophobicContact CE2-CG1 3.62Å; Y53-V57 HydrophobicContact CE2-CG2 3.8Å; Y53-V57 HydrophobicContact CG-CB 4.21Å; Y53-V57 HydrophobicContact CG-CG2 4.34Å; Y53-V57 WeakPolarHBondContact O-CA 3.5Å; Y53-V57 WeakPolarHBondContact O-CB 3.45Å; Y53-V57 PolarHBondContact O-N 3.16Å; Y53-E58 HydrophobicContact CD1-CG 4.14Å; Y53-E58 HydrophobicContact CE1-CG 3.66Å; Y53-E58 WeakPolarHBondContact CE1-OE1 3.47Å; Y53-E58 PolarHBondContact O-N 3.29Å; Y53-E58 PolarHBondContact OH-OE1 3.4Å; Y53-F67 HydrophobicContact CE2-CD1 4.4Å; Y53-F67 AromaticContact CE2-CE1 3.82Å; Y53-F67 HydrophobicContact CE2-CE1 3.82Å; Y53-F67 HydrophobicContact CE2-CZ 4.04Å; Y53-L157 HydrophobicContact CE2-CB 4.42Å; Y53-R158 HydrophobicContact CD1-CB 4.19Å; Y53-R158 HydrophobicContact CD1-CG 4.07Å; Y53-R158 VanDerWaalsContact CD1-CZ 3.46Å; Y53-R158 HydrophobicContact CD2-CB 4.26Å; Y53-R158 HydrophobicContact CG-CB 4.06Å; Y53-R158 HydrophobicContact CG-CG 3.91Å; Y53-F162 HydrophobicContact CD2-CB 3.9Å; Y53-F162 HydrophobicContact CD2-CD1 4.42Å; Y53-F162 AromaticContact CD2-CD2 3.73Å; Y53-F162 HydrophobicContact CD2-CD2 3.73Å; Y53-F162 HydrophobicContact CD2-CE2 4.38Å; Y53-F162 AromaticContact CD2-CG 3.75Å; Y53-F162 HydrophobicContact CD2-CG 3.75Å; Y53-F162 HydrophobicContact CG-CD2 4.5Å; Y53-F162 HydrophobicContact CG-CG 4.42Å; Y53-F162 VanDerWaalsContact N-CE1 3.31Å
54D97Very high96.7Very high71 Ų7151.3 Ų51.338%0.3825%0.252SS..Iπ-helixtrans-59.6-44179.7-66.8-50.8000111.7S52 E58 Q59 R158S52-D54 VanDerWaalsContact C-N 3.34Å; D54-E58 WeakPolarHBondContact O-CB 3.46Å; D54-E58 PolarHBondContact O-N 3.17Å; D54-Q59 WeakPolarHBondContact O-CG 3.18Å; D54-Q59 PolarHBondContact O-N 2.72Å; D54-R158 IonicContact OD1-CZ 3.96Å; D54-R158 IonicContact OD1-NH1 2.77Å; D54-R158 PolarHBondContact OD1-NH1 3.48Å; D54-R158 IonicContact OD1-NH2 3.99Å; D54-R158 PolarHBondContact OD1-NH2 3.08Å; D54-R158 IonicContact OD2-CZ 2.69Å; D54-R158 IonicContact OD2-NH1 2.74Å; D54-R158 PolarHBondContact OD2-NH1 2.59Å
55F97Very high96.8Very high41 Ų4150.2 Ų50.218%0.1825%0.247CC..Iπ-helixtrans-67.7-59.5176.9-176.7-103.1000110.8D50 S52 Y53 Q59 Q60D50-F55 HydrophobicContact CB-CB 4.03Å; D50-F55 HydrophobicContact CB-CD1 3.86Å; D50-F55 HydrophobicContact CB-CD2 4.31Å; D50-F55 HydrophobicContact CB-CE1 4.38Å; D50-F55 HydrophobicContact CB-CG 3.8Å; D50-F55 WeakPolarHBondContact O-CD1 3.41Å; D50-F55 WeakPolarHBondContact OD2-CB 3.49Å; S52-F55 PolarHBondContact O-N 3.41Å; S52-F55 VanDerWaalsContact OG-CB 3.31Å; S52-F55 WeakPolarHBondContact OG-CB 3.38Å; S52-F55 PolarHBondContact OG-N 3.47Å; Y53-F55 VanDerWaalsContact C-N 3.32Å; Y53-F55 PolarHBondContact O-N 2.84Å; F55-Q59 WeakPolarHBondContact O-CB 3.36Å; F55-Q59 PolarHBondContact O-N 2.91Å; F55-Q60 HydrophobicContact CD1-CG 4.36Å; F55-Q60 HydrophobicContact CE1-CG 4.15Å; F55-Q60 HydrophobicContact CZ-CG 4.25Å; F55-Q60 WeakPolarHBondContact O-CG 3.41Å; F55-Q60 PolarHBondContact O-N 3.38Å
56I98.2Very high96.9Very high0 Ų050.2 Ų50.20%025%0.247CC..Iπ-helixtrans-72.4-43.8-168.9-63.7176.1000112.5L51 S52 Y53 Q60 G63 K64 F162 F165 L166 F171 Y174L51-I56 HydrophobicContact CD2-CD1 4.1Å; S52-I56 PolarHBondContact O-N 2.82Å; Y53-I56 PolarHBondContact O-N 3.46Å; I56-Q60 WeakPolarHBondContact O-CB 3.34Å; I56-G63 CarbonylContact O-C 3.55Å; I56-G63 VanDerWaalsContact O-CA 3.27Å; I56-G63 WeakPolarHBondContact O-CA 3.37Å; I56-K64 PolarHBondContact O-N 2.9Å; I56-F162 HydrophobicContact CB-CE2 4.32Å; I56-F162 HydrophobicContact CB-CZ 4.46Å; I56-F162 HydrophobicContact CD1-CZ 4.21Å; I56-F165 HydrophobicContact CG2-CE1 4.05Å; I56-L166 HydrophobicContact CD1-CD2 4.08Å; I56-F171 HydrophobicContact CD1-CE2 3.82Å; I56-Y174 HydrophobicContact CD1-CE1 4.13Å; I56-Y174 HydrophobicContact CG1-CE1 4.04Å; I56-Y174 HydrophobicContact CG2-CD1 4.36Å; I56-Y174 HydrophobicContact CG2-CE1 3.99Å; I56-Y174 HydrophobicContact CG2-CE2 4.41Å
57V97.8Very high97.1Very high2 Ų246.1 Ų46.11%0.01223%0.23CC..Iπ-helixtrans-96.1-40.5-169.4-176.10000111.6Y53 K64 F67 F162Y53-V57 HydrophobicContact CD1-CB 4.39Å; Y53-V57 HydrophobicContact CD2-CB 3.85Å; Y53-V57 HydrophobicContact CD2-CG1 4.31Å; Y53-V57 HydrophobicContact CD2-CG2 3.7Å; Y53-V57 HydrophobicContact CE1-CB 4.23Å; Y53-V57 HydrophobicContact CE1-CG1 4.32Å; Y53-V57 HydrophobicContact CE2-CB 3.68Å; Y53-V57 HydrophobicContact CE2-CG1 3.62Å; Y53-V57 HydrophobicContact CE2-CG2 3.8Å; Y53-V57 HydrophobicContact CG-CB 4.21Å; Y53-V57 HydrophobicContact CG-CG2 4.34Å; Y53-V57 WeakPolarHBondContact O-CA 3.5Å; Y53-V57 WeakPolarHBondContact O-CB 3.45Å; Y53-V57 PolarHBondContact O-N 3.16Å; V57-K64 HydrophobicContact CG1-CG 4.43Å; V57-K64 WeakPolarHBondContact O-CB 3.31Å; V57-K64 VanDerWaalsContact O-CD 3.31Å; V57-K64 WeakPolarHBondContact O-CD 3.49Å; V57-K64 WeakPolarHBondContact O-CG 3.48Å; V57-F67 HydrophobicContact CB-CD1 4.41Å; V57-F67 HydrophobicContact CG1-CB 4.15Å; V57-F67 HydrophobicContact CG1-CD1 3.44Å; V57-F67 VanDerWaalsContact CG1-CD1 3.44Å; V57-F67 HydrophobicContact CG1-CE1 4.08Å; V57-F67 HydrophobicContact CG1-CG 3.96Å; V57-F67 HydrophobicContact CG2-CB 3.91Å; V57-F67 HydrophobicContact CG2-CD1 4.03Å; V57-F67 HydrophobicContact CG2-CD2 4.18Å; V57-F67 HydrophobicContact CG2-CG 3.77Å; V57-F162 HydrophobicContact CG2-CD2 3.81Å; V57-F162 HydrophobicContact CG2-CE2 3.72Å
58E95Very high97.2Very high73 Ų7340.5 Ų40.534%0.34120%0.203SC..Iπ-helixtrans-85.3-40.3-178.2-64.5-53.4150.800113.5Y53 D54 K64Y53-E58 HydrophobicContact CD1-CG 4.14Å; Y53-E58 HydrophobicContact CE1-CG 3.66Å; Y53-E58 WeakPolarHBondContact CE1-OE1 3.47Å; Y53-E58 PolarHBondContact O-N 3.29Å; Y53-E58 PolarHBondContact OH-OE1 3.4Å; D54-E58 WeakPolarHBondContact O-CB 3.46Å; D54-E58 PolarHBondContact O-N 3.17Å; E58-K64 IonicContact OE2-NZ 2.59Å; E58-K64 PolarHBondContact OE2-NZ 2.96Å
59Q95Very high97.4Very high103 Ų10338.2 Ų38.248%0.48119%0.185SC..Iπ-helixtrans-90.7-39-175.5-64.7172.427.500114D54 F55 P61D54-Q59 WeakPolarHBondContact O-CG 3.18Å; D54-Q59 PolarHBondContact O-N 2.72Å; F55-Q59 WeakPolarHBondContact O-CB 3.36Å; F55-Q59 PolarHBondContact O-N 2.91Å; Q59-P61 WeakPolarHBondContact O-CD 3.46Å
60Q97.5Very high97.5Very high6 Ų638 Ų383%0.02818%0.183CC..  trans-90.9112.5-172-57.9-67-78.100111.1F55 I56 I62 G63 K64 Y174 K178F55-Q60 HydrophobicContact CD1-CG 4.36Å; F55-Q60 HydrophobicContact CE1-CG 4.15Å; F55-Q60 HydrophobicContact CZ-CG 4.25Å; F55-Q60 WeakPolarHBondContact O-CG 3.41Å; F55-Q60 PolarHBondContact O-N 3.38Å; I56-Q60 WeakPolarHBondContact O-CB 3.34Å; Q60-I62 PolarHBondContact O-N 3.48Å; Q60-G63 WeakPolarHBondContact O-CA 3.14Å; Q60-G63 PolarHBondContact O-N 3.21Å; Q60-K64 PolarHBondContact O-N 3.36Å; Q60-Y174 HydrophobicContact CB-CE2 4.46Å; Q60-K178 VanDerWaalsContact OE1-NZ 3.1Å
61P98Very high97.5Very high23 Ų2333.9 Ų33.915%0.14916%0.161CC..Hα-helixtrans-57.4-42.5-174.5-26.634.4000114.9Q59 R65 I514 Q517 N518 L521Q59-P61 WeakPolarHBondContact O-CD 3.46Å; P61-R65 WeakPolarHBondContact O-CB 3.32Å; P61-R65 PolarHBondContact O-N 2.63Å; P61-I514 HydrophobicContact CG-CG2 4.01Å; P61-Q517 HydrophobicContact CB-CB 4.07Å; P61-Q517 VanDerWaalsContact CD-OE1 3.32Å; P61-Q517 HydrophobicContact CG-CB 4.08Å; P61-Q517 VanDerWaalsContact N-OE1 3.16Å; P61-N518 VanDerWaalsContact CB-OD1 3.29Å; P61-N518 WeakPolarHBondContact CB-OD1 3.33Å; P61-N518 WeakPolarHBondContact CG-OD1 3.42Å; P61-L521 HydrophobicContact CB-CD1 3.52Å
62I98.7Very high97.4Very high0 Ų037.6 Ų37.60%017%0.171CC..Hα-helixtrans-70.5-37.1177.1-74.5179.9000110.6Q60 R65 L66 Y174 W177 W516 Q517 M520 L521 F526Q60-I62 PolarHBondContact O-N 3.48Å; I62-R65 PolarHBondContact O-N 3.14Å; I62-L66 HydrophobicContact CG2-CD1 3.63Å; I62-L66 HydrophobicContact CG2-CG 4.24Å; I62-L66 WeakPolarHBondContact O-CB 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.33Å; I62-L66 PolarHBondContact O-N 3.36Å; I62-Y174 HydrophobicContact CG2-CD2 4.37Å; I62-W177 HydrophobicContact CD1-CB 4.46Å; I62-W177 HydrophobicContact CD1-CD2 3.86Å; I62-W177 HydrophobicContact CD1-CE3 3.75Å; I62-W177 HydrophobicContact CD1-CG 4.2Å; I62-W177 HydrophobicContact CD1-CZ3 4.3Å; I62-W177 HydrophobicContact CG2-CB 4.01Å; I62-W177 HydrophobicContact CG2-CD2 4.41Å; I62-W177 HydrophobicContact CG2-CG 3.83Å; I62-W516 HydrophobicContact CD1-CZ3 4.11Å; I62-Q517 HydrophobicContact CB-CB 4.34Å; I62-Q517 HydrophobicContact CB-CG 4.09Å; I62-Q517 HydrophobicContact CD1-CB 4.06Å; I62-Q517 HydrophobicContact CD1-CG 3.83Å; I62-Q517 HydrophobicContact CG1-CB 3.85Å; I62-Q517 HydrophobicContact CG1-CG 3.93Å; I62-M520 HydrophobicContact CD1-CB 4.02Å; I62-M520 HydrophobicContact CD1-CG 4.33Å; I62-L521 HydrophobicContact CG1-CD1 4.42Å; I62-L521 HydrophobicContact CG1-CD2 4.38Å; I62-L521 HydrophobicContact CG1-CG 4.21Å; I62-F526 HydrophobicContact CD1-CD2 4.2Å; I62-F526 HydrophobicContact CG1-CD2 4.07Å; I62-F526 HydrophobicContact CG1-CE2 4.45Å; I62-F526 HydrophobicContact CG2-CD2 4.23Å; I62-F526 HydrophobicContact CG2-CE2 3.87Å
63G98.6Very high97.1Very high0 Ų039.6 Ų39.60%018%0.184CC..Hα-helixtrans-60.6-48.6174.900000111.5I56 Q60 R65 L66 F67I56-G63 CarbonylContact O-C 3.55Å; I56-G63 VanDerWaalsContact O-CA 3.27Å; I56-G63 WeakPolarHBondContact O-CA 3.37Å; Q60-G63 WeakPolarHBondContact O-CA 3.14Å; Q60-G63 PolarHBondContact O-N 3.21Å; G63-R65 VanDerWaalsContact C-N 3.33Å; G63-R65 PolarHBondContact O-N 3.39Å; G63-L66 PolarHBondContact O-N 2.94Å; G63-F67 WeakPolarHBondContact O-CB 3.29Å; G63-F67 PolarHBondContact O-N 3.15Å
64K98.2Very high96.9Very high61 Ų6142 Ų4227%0.26520%0.198SC..Hα-helixtrans-54.1-46.5171.8-162.2162.5-170.71450112.4I56 V57 E58 Q60 F67 R68I56-K64 PolarHBondContact O-N 2.9Å; V57-K64 HydrophobicContact CG1-CG 4.43Å; V57-K64 WeakPolarHBondContact O-CB 3.31Å; V57-K64 VanDerWaalsContact O-CD 3.31Å; V57-K64 WeakPolarHBondContact O-CD 3.49Å; V57-K64 WeakPolarHBondContact O-CG 3.48Å; E58-K64 IonicContact OE2-NZ 2.59Å; E58-K64 PolarHBondContact OE2-NZ 2.96Å; Q60-K64 PolarHBondContact O-N 3.36Å; K64-F67 PolarHBondContact O-N 3.21Å; K64-R68 PolarHBondContact O-N 2.84Å
65R98.1Very high96.8Very high80 Ų8045 Ų4530%0.30221%0.214SC..Hα-helixtrans-64.3-44.2-179-174.459.1170.8163.9-2.9112P61 I62 G63 R68 L69 L521 F526P61-R65 WeakPolarHBondContact O-CB 3.32Å; P61-R65 PolarHBondContact O-N 2.63Å; I62-R65 PolarHBondContact O-N 3.14Å; G63-R65 VanDerWaalsContact C-N 3.33Å; G63-R65 PolarHBondContact O-N 3.39Å; R65-R68 PolarHBondContact O-N 3.18Å; R65-L69 WeakPolarHBondContact O-CG 3.02Å; R65-L69 PolarHBondContact O-N 2.92Å; R65-L521 HydrophobicContact CB-CD2 4.31Å; R65-L521 HydrophobicContact CG-CD2 4.11Å; R65-F526 HydrophobicContact CB-CE1 4.48Å; R65-F526 HydrophobicContact CB-CZ 4.28Å; R65-F526 HydrophobicContact CG-CD1 4.18Å; R65-F526 HydrophobicContact CG-CE1 3.44Å; R65-F526 VanDerWaalsContact CG-CE1 3.44Å; R65-F526 HydrophobicContact CG-CZ 3.64Å
66L98.5Very high96.7Very high0 Ų045.4 Ų45.40%022%0.216CC..Hα-helixtrans-69.3-38.7178.2-73167000112.1I62 G63 R68 L69 F70 F165 R173 Y174 F526 F532I62-L66 HydrophobicContact CG2-CD1 3.63Å; I62-L66 HydrophobicContact CG2-CG 4.24Å; I62-L66 WeakPolarHBondContact O-CB 3.25Å; I62-L66 WeakPolarHBondContact O-CG 3.33Å; I62-L66 PolarHBondContact O-N 3.36Å; G63-L66 PolarHBondContact O-N 2.94Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-L69 HydrophobicContact CD2-CD1 4.34Å; L66-L69 PolarHBondContact O-N 3.34Å; L66-F70 PolarHBondContact O-N 2.98Å; L66-F165 HydrophobicContact CB-CE2 4.23Å; L66-F165 HydrophobicContact CB-CZ 4.46Å; L66-R173 HydrophobicContact CD1-CG 4.43Å; L66-R173 HydrophobicContact CD2-CB 4.45Å; L66-R173 HydrophobicContact CD2-CG 3.97Å; L66-Y174 VanDerWaalsContact CD1-CA 3.48Å; L66-Y174 HydrophobicContact CD1-CD2 4.22Å; L66-Y174 HydrophobicContact CD1-CG 4.42Å; L66-F526 HydrophobicContact CD2-CE2 4.15Å; L66-F526 HydrophobicContact CD2-CZ 3.92Å; L66-F526 HydrophobicContact CG-CE2 4.1Å; L66-F526 HydrophobicContact CG-CZ 4.08Å; L66-F532 HydrophobicContact CD2-CE2 4.48Å; L66-F532 HydrophobicContact CD2-CZ 3.89Å
67F98.4Very high96.6Very high5 Ų545.7 Ų45.72%0.02222%0.217CC..Hα-helixtrans-61-44.3173-178.3-111.7000111.2Y53 V57 G63 K64 L69 F70 C71 L157 P161 F162 F165Y53-F67 HydrophobicContact CE2-CD1 4.4Å; Y53-F67 AromaticContact CE2-CE1 3.82Å; Y53-F67 HydrophobicContact CE2-CE1 3.82Å; Y53-F67 HydrophobicContact CE2-CZ 4.04Å; V57-F67 HydrophobicContact CB-CD1 4.41Å; V57-F67 HydrophobicContact CG1-CB 4.15Å; V57-F67 HydrophobicContact CG1-CD1 3.44Å; V57-F67 VanDerWaalsContact CG1-CD1 3.44Å; V57-F67 HydrophobicContact CG1-CE1 4.08Å; V57-F67 HydrophobicContact CG1-CG 3.96Å; V57-F67 HydrophobicContact CG2-CB 3.91Å; V57-F67 HydrophobicContact CG2-CD1 4.03Å; V57-F67 HydrophobicContact CG2-CD2 4.18Å; V57-F67 HydrophobicContact CG2-CG 3.77Å; G63-F67 WeakPolarHBondContact O-CB 3.29Å; G63-F67 PolarHBondContact O-N 3.15Å; K64-F67 PolarHBondContact O-N 3.21Å; F67-L69 VanDerWaalsContact C-N 3.34Å; F67-L69 PolarHBondContact O-N 2.88Å; F67-F70 HydrophobicContact CD2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CD1 4.11Å; F67-F70 HydrophobicContact CE2-CE1 4.4Å; F67-F70 WeakPolarHBondContact O-CB 3.47Å; F67-F70 PolarHBondContact O-N 3.31Å; F67-F70 VanDerWaalsContact O-N 3.16Å; F67-C71 PolarHBondContact O-N 3.19Å; F67-C71 PolarHBondContact O-SG 3.41Å; F67-L157 HydrophobicContact CE1-CB 4.4Å; F67-L157 HydrophobicContact CE1-CD2 4.42Å; F67-L157 HydrophobicContact CZ-CB 4.42Å; F67-L157 HydrophobicContact CZ-CD2 4.44Å; F67-P161 HydrophobicContact CE2-CB 4.44Å; F67-P161 HydrophobicContact CZ-CB 4.18Å; F67-F162 HydrophobicContact CD2-CD2 4.45Å; F67-F162 HydrophobicContact CE2-CB 4.33Å; F67-F162 HydrophobicContact CE2-CD2 4.33Å; F67-F165 HydrophobicContact CB-CD2 4.41Å; F67-F165 HydrophobicContact CB-CE2 4.28Å; F67-F165 HydrophobicContact CB-CZ 4.48Å; F67-F165 HydrophobicContact CD2-CB 3.71Å; F67-F165 HydrophobicContact CD2-CD1 4.07Å; F67-F165 AromaticContact CD2-CD2 3.93Å; F67-F165 HydrophobicContact CD2-CD2 3.93Å; F67-F165 AromaticContact CD2-CG 3.63Å; F67-F165 HydrophobicContact CD2-CG 3.63Å; F67-F165 HydrophobicContact CE2-CB 3.9Å; F67-F165 HydrophobicContact CE2-CG 4.32Å
68R97.1Very high96.5Very high73 Ų7346.7 Ų46.728%0.27523%0.225SC..Hα-helixtrans-61.7-38.8173.8-78.2-170.5167.8134.2-8.5113.2K64 R65 L66 F70 C71 R72 V81 D85K64-R68 PolarHBondContact O-N 2.84Å; R65-R68 PolarHBondContact O-N 3.18Å; L66-R68 VanDerWaalsContact C-N 3.35Å; R68-F70 VanDerWaalsContact C-N 3.33Å; R68-C71 PolarHBondContact O-N 3.37Å; R68-R72 WeakPolarHBondContact O-CG 3.31Å; R68-R72 PolarHBondContact O-N 2.99Å; R68-R72 VanDerWaalsContact O-N 3.13Å; R68-V81 HydrophobicContact CG-CG1 4.31Å; R68-D85 IonicContact CZ-OD1 3.72Å; R68-D85 IonicContact NE-OD1 3.08Å; R68-D85 IonicContact NE-OD2 2.71Å; R68-D85 IonicContact NH2-OD1 2.69Å; R68-D85 PolarHBondContact NH2-OD1 3.45Å; R68-D85 IonicContact NH2-OD2 3.07Å
69L97Very high96.6Very high42 Ų4245 Ų4522%0.2222%0.218CC..Hα-helixtrans-63.2-40.5174.1-72.3173.6000111.7R65 L66 F67 R72 Y170 F526R65-L69 WeakPolarHBondContact O-CG 3.02Å; R65-L69 PolarHBondContact O-N 2.92Å; L66-L69 HydrophobicContact CD2-CD1 4.34Å; L66-L69 PolarHBondContact O-N 3.34Å; F67-L69 VanDerWaalsContact C-N 3.34Å; F67-L69 PolarHBondContact O-N 2.88Å; L69-R72 PolarHBondContact O-N 3.02Å; L69-Y170 HydrophobicContact CB-CD1 4.02Å; L69-Y170 HydrophobicContact CB-CE1 3.85Å; L69-F526 HydrophobicContact CD1-CE1 4.33Å; L69-F526 HydrophobicContact CD1-CZ 4.22Å
70F97.7Very high96.6Very high19 Ų1940.1 Ų40.18%0.08320%0.195CC..Hα-helixtrans-59.6-49.9171.7162.8-96.4000111.4L66 F67 R68 R72 S73 P161 E164 F165 Y170L66-F70 PolarHBondContact O-N 2.98Å; F67-F70 HydrophobicContact CD2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CD1 4.11Å; F67-F70 HydrophobicContact CE2-CE1 4.4Å; F67-F70 WeakPolarHBondContact O-CB 3.47Å; F67-F70 PolarHBondContact O-N 3.31Å; F67-F70 VanDerWaalsContact O-N 3.16Å; R68-F70 VanDerWaalsContact C-N 3.33Å; F70-R72 PolarHBondContact O-N 3Å; F70-S73 WeakPolarHBondContact O-CB 3.36Å; F70-S73 PolarHBondContact O-N 3.35Å; F70-S73 PolarHBondContact O-OG 2.82Å; F70-P161 HydrophobicContact CE1-CB 4.44Å; F70-P161 WeakPolarHBondContact CE1-O 3.46Å; F70-E164 HydrophobicContact CE1-CB 4.46Å; F70-E164 HydrophobicContact CE2-CB 4.3Å; F70-E164 HydrophobicContact CZ-CB 3.61Å; F70-F165 HydrophobicContact CB-CD2 3.82Å; F70-F165 HydrophobicContact CD1-CB 3.8Å; F70-F165 HydrophobicContact CD1-CD2 4.31Å; F70-F165 HydrophobicContact CE1-CB 3.97Å; F70-F165 HydrophobicContact CG-CB 4.11Å; F70-F165 HydrophobicContact CG-CD2 4.01Å; F70-F165 HydrophobicContact CZ-CB 4.42Å; F70-Y170 HydrophobicContact CB-CD1 4.42Å; F70-Y170 HydrophobicContact CB-CD2 3.68Å; F70-Y170 HydrophobicContact CB-CE2 4.14Å; F70-Y170 HydrophobicContact CB-CG 3.84Å; F70-Y170 AromaticContact CD2-CD2 3.87Å; F70-Y170 HydrophobicContact CD2-CD2 3.87Å; F70-Y170 HydrophobicContact CD2-CE2 4.21Å; F70-Y170 HydrophobicContact CG-CD2 4.28Å
71C97.6Very high96.6Very high1 Ų140.5 Ų40.51%0.00720%0.198CC..Hα-helixtrans-57-35.7-179.8-66.70000112.8F67 R68 S73 N74 I77 S78 V81F67-C71 PolarHBondContact O-N 3.19Å; F67-C71 PolarHBondContact O-SG 3.41Å; R68-C71 PolarHBondContact O-N 3.37Å; C71-S73 PolarHBondContact O-N 3.12Å; C71-N74 PolarHBondContact O-N 3.4Å; C71-N74 VanDerWaalsContact O-N 3.14Å; C71-I77 HydrophobicContact CB-CG2 3.68Å; C71-I77 VanDerWaalsContact SG-CG2 3.54Å; C71-S78 PolarHBondContact O-N 2.92Å; C71-V81 HydrophobicContact CB-CG2 3.76Å
72R95.4Very high96.6Very high139 Ų13941.8 Ų41.853%0.52520%0.204SC..THydrogen-bonded Turntrans-64.6-18.4177-73.8176.2178.8-170.6-4.4114.3R68 L69 F70 N74R68-R72 WeakPolarHBondContact O-CG 3.31Å; R68-R72 PolarHBondContact O-N 2.99Å; R68-R72 VanDerWaalsContact O-N 3.13Å; L69-R72 PolarHBondContact O-N 3.02Å; F70-R72 PolarHBondContact O-N 3Å; R72-N74 PolarHBondContact O-N 2.81Å
73S91.1Very high96.5Very high79 Ų7941.8 Ų41.855%0.55220%0.204SC*.THydrogen-bonded Turntrans-76.9-11.3176.170.70000113.5F70 C71F70-S73 WeakPolarHBondContact O-CB 3.36Å; F70-S73 PolarHBondContact O-N 3.35Å; F70-S73 PolarHBondContact O-OG 2.82Å; C71-S73 PolarHBondContact O-N 3.12Å
74N94Very high96.4Very high64 Ų6442.4 Ų42.434%0.34221%0.207SC..SBendtrans-123.1116.3175.4180-41.8000109.6C71 R72 F76 I77 S78C71-N74 PolarHBondContact O-N 3.4Å; C71-N74 VanDerWaalsContact O-N 3.14Å; R72-N74 PolarHBondContact O-N 2.81Å; N74-F76 VanDerWaalsContact C-N 3.31Å; N74-F76 PolarHBondContact O-N 3.45Å; N74-F76 PolarHBondContact OD1-N 3.41Å; N74-I77 HydrophobicContact CB-CB 4.12Å; N74-I77 HydrophobicContact CB-CD1 3.83Å; N74-I77 HydrophobicContact CB-CG1 3.99Å; N74-I77 PolarHBondContact O-N 3.15Å; N74-I77 PolarHBondContact OD1-N 3.02Å; N74-S78 WeakPolarHBondContact O-CB 3.36Å; N74-S78 PolarHBondContact O-N 3.08Å
75N93.8Very high96.4Very high133 Ų13342 Ų4271%0.71121%0.208SC*.Hα-helixtrans-54.8-42.6-174.7-69.3-13.6000113.5S78 D79N75-S78 PolarHBondContact O-N 3.03Å; N75-D79 VanDerWaalsContact O-CG 3.25Å; N75-D79 PolarHBondContact O-N 2.62Å
76F95.1Very high96.3Very high50 Ų5039.3 Ų39.322%0.21920%0.201CC..Hα-helixtrans-69.7-42.2-178.6179-101.1000111.7N74 S78 D79 V80 F118 Q120 L121 F156N74-F76 VanDerWaalsContact C-N 3.31Å; N74-F76 PolarHBondContact O-N 3.45Å; N74-F76 PolarHBondContact OD1-N 3.41Å; F76-S78 VanDerWaalsContact C-N 3.32Å; F76-D79 WeakPolarHBondContact O-CB 3.5Å; F76-D79 PolarHBondContact O-N 3.48Å; F76-V80 HydrophobicContact CE1-CG2 4.14Å; F76-V80 HydrophobicContact CZ-CG2 4.2Å; F76-V80 WeakPolarHBondContact O-CG2 3.41Å; F76-V80 PolarHBondContact O-N 2.85Å; F76-V80 VanDerWaalsContact O-N 3.09Å; F76-F118 AromaticContact CE2-CD1 3.96Å; F76-F118 HydrophobicContact CE2-CD1 3.96Å; F76-F118 HydrophobicContact CE2-CE1 4.14Å; F76-F118 HydrophobicContact CZ-CD1 4.15Å; F76-Q120 HydrophobicContact CZ-CG 4.3Å; F76-L121 HydrophobicContact CE1-CD1 4.44Å; F76-L121 HydrophobicContact CE1-CD2 3.91Å; F76-L121 HydrophobicContact CE1-CG 4.49Å; F76-L121 HydrophobicContact CZ-CD1 4.02Å; F76-L121 HydrophobicContact CZ-CD2 3.89Å; F76-L121 HydrophobicContact CZ-CG 4.02Å; F76-F156 HydrophobicContact CD1-CZ 4.22Å; F76-F156 HydrophobicContact CE1-CE1 4.15Å; F76-F156 HydrophobicContact CE1-CE2 4.48Å; F76-F156 AromaticContact CE1-CZ 3.86Å; F76-F156 HydrophobicContact CE1-CZ 3.86Å
77I95.9Very high96.3Very high6 Ų639.6 Ų39.63%0.03120%0.203CC..Hα-helixtrans-67.1-38.3177.1-54.7175.6000110.1C71 N74 D79 V80 V81 F156 L157 P161C71-I77 HydrophobicContact CB-CG2 3.68Å; C71-I77 VanDerWaalsContact SG-CG2 3.54Å; N74-I77 HydrophobicContact CB-CB 4.12Å; N74-I77 HydrophobicContact CB-CD1 3.83Å; N74-I77 HydrophobicContact CB-CG1 3.99Å; N74-I77 PolarHBondContact O-N 3.15Å; N74-I77 PolarHBondContact OD1-N 3.02Å; I77-D79 VanDerWaalsContact C-N 3.35Å; I77-D79 PolarHBondContact O-N 3.18Å; I77-V80 WeakPolarHBondContact O-CB 3.47Å; I77-V80 PolarHBondContact O-N 2.52Å; I77-V81 WeakPolarHBondContact O-CG2 3.33Å; I77-V81 PolarHBondContact O-N 3.27Å; I77-F156 HydrophobicContact CG1-CE1 4.36Å; I77-F156 HydrophobicContact CG1-CZ 4.36Å; I77-L157 HydrophobicContact CG2-CD2 3.88Å; I77-P161 HydrophobicContact CD1-CB 4.08Å; I77-P161 HydrophobicContact CD1-CG 4.12Å; I77-P161 HydrophobicContact CG1-CG 4.4Å; I77-P161 HydrophobicContact CG2-CB 4.12Å; I77-P161 HydrophobicContact CG2-CG 4.3Å
78S96.2Very high96.1Very high23 Ų2342.5 Ų42.516%0.16122%0.218CC..Hα-helixtrans-60-43.9173.4-165.30000111.8C71 N74 N75 F76 V80 V81 D82C71-S78 PolarHBondContact O-N 2.92Å; N74-S78 WeakPolarHBondContact O-CB 3.36Å; N74-S78 PolarHBondContact O-N 3.08Å; N75-S78 PolarHBondContact O-N 3.03Å; F76-S78 VanDerWaalsContact C-N 3.32Å; S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 PolarHBondContact O-N 3.39Å; S78-V81 PolarHBondContact O-N 3.38Å; S78-D82 PolarHBondContact O-N 2.85Å
79D96.1Very high95.9Very high39 Ų3942.5 Ų42.521%0.20923%0.227CC..Hα-helixtrans-61.1-37.4176-75.6-35.4000112.2N75 F76 I77 F83 K116 F118N75-D79 VanDerWaalsContact O-CG 3.25Å; N75-D79 PolarHBondContact O-N 2.62Å; F76-D79 WeakPolarHBondContact O-CB 3.5Å; F76-D79 PolarHBondContact O-N 3.48Å; I77-D79 VanDerWaalsContact C-N 3.35Å; I77-D79 PolarHBondContact O-N 3.18Å; D79-F83 WeakPolarHBondContact O-CB 3.4Å; D79-F83 PolarHBondContact O-N 3.33Å; D79-K116 IonicContact OD1-NZ 3.27Å; D79-K116 PolarHBondContact OD1-NZ 3.17Å; D79-K116 IonicContact OD2-NZ 2.66Å; D79-K116 PolarHBondContact OD2-NZ 3.36Å; D79-F118 HydrophobicContact CB-CE1 4.13Å; D79-F118 HydrophobicContact CB-CZ 3.93Å
80V96.7Very high95.8Very high0 Ų040.5 Ų40.50%022%0.216CC..Hα-helixtrans-64.3-45.2173.9172.30000111.2F76 I77 S78 D82 F83 V84 F118 L121 L153 F156 L157F76-V80 HydrophobicContact CE1-CG2 4.14Å; F76-V80 HydrophobicContact CZ-CG2 4.2Å; F76-V80 WeakPolarHBondContact O-CG2 3.41Å; F76-V80 PolarHBondContact O-N 2.85Å; F76-V80 VanDerWaalsContact O-N 3.09Å; I77-V80 WeakPolarHBondContact O-CB 3.47Å; I77-V80 PolarHBondContact O-N 2.52Å; S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 PolarHBondContact O-N 3.39Å; V80-D82 VanDerWaalsContact C-N 3.35Å; V80-D82 PolarHBondContact O-N 3.24Å; V80-F83 WeakPolarHBondContact O-CB 3.31Å; V80-F83 PolarHBondContact O-N 3.17Å; V80-V84 WeakPolarHBondContact O-CG2 3.43Å; V80-V84 PolarHBondContact O-N 3.03Å; V80-F118 HydrophobicContact CG2-CD1 3.99Å; V80-F118 HydrophobicContact CG2-CE1 3.69Å; V80-L121 HydrophobicContact CG2-CD1 3.87Å; V80-L153 HydrophobicContact CG1-CB 4.07Å; V80-L153 HydrophobicContact CG1-CD2 4.07Å; V80-F156 HydrophobicContact CG1-CD1 4.07Å; V80-F156 HydrophobicContact CG2-CD1 4.16Å; V80-F156 HydrophobicContact CG2-CE1 4.06Å; V80-L157 HydrophobicContact CG1-CD1 4.17Å; V80-L157 HydrophobicContact CG1-CD2 4.03Å; V80-L157 HydrophobicContact CG1-CG 3.95Å
81V96.8Very high95.6Very high14 Ų1440.9 Ų40.99%0.08522%0.223CC..Hα-helixtrans-61.8-43.6177.5172.30000111.1R68 C71 I77 S78 F83 V84 D85 L157R68-V81 HydrophobicContact CG-CG1 4.31Å; C71-V81 HydrophobicContact CB-CG2 3.76Å; I77-V81 WeakPolarHBondContact O-CG2 3.33Å; I77-V81 PolarHBondContact O-N 3.27Å; S78-V81 PolarHBondContact O-N 3.38Å; V81-F83 VanDerWaalsContact C-N 3.26Å; V81-F83 PolarHBondContact O-N 3.43Å; V81-V84 PolarHBondContact O-N 3.16Å; V81-D85 PolarHBondContact O-N 3.17Å; V81-L157 HydrophobicContact CG2-CD1 4.26Å; V81-L157 HydrophobicContact CG2-CD2 4.05Å
82D97Very high95.3Very high50 Ų5043 Ų4327%0.26724%0.236SC..Hα-helixtrans-61-36.7176.3-80.36.6000111.9S78 V80 S86 R108 F109S78-D82 PolarHBondContact O-N 2.85Å; V80-D82 VanDerWaalsContact C-N 3.35Å; V80-D82 PolarHBondContact O-N 3.24Å; D82-S86 WeakPolarHBondContact O-CB 3.35Å; D82-S86 PolarHBondContact O-N 3.18Å; D82-S86 PolarHBondContact O-OG 2.67Å; D82-R108 IonicContact OD2-NH2 2.7Å; D82-R108 PolarHBondContact OD2-NH2 3.31Å; D82-R108 VanDerWaalsContact OD2-NH2 3.07Å; D82-F109 HydrophobicContact CB-CE1 4.1Å; D82-F109 HydrophobicContact CB-CZ 4.09Å
83F97.3Very high95.1Very high0 Ų036.8 Ų36.80%021%0.213CC..Hα-helixtrans-67.6-47.1176.7-168-175.2000111D79 V80 V81 D85 S86 I87 I105 F109 L110 F118 I149 L153D79-F83 WeakPolarHBondContact O-CB 3.4Å; D79-F83 PolarHBondContact O-N 3.33Å; V80-F83 WeakPolarHBondContact O-CB 3.31Å; V80-F83 PolarHBondContact O-N 3.17Å; V81-F83 VanDerWaalsContact C-N 3.26Å; V81-F83 PolarHBondContact O-N 3.43Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-D85 PolarHBondContact O-N 3.21Å; F83-S86 PolarHBondContact O-N 3.21Å; F83-S86 VanDerWaalsContact O-N 3.15Å; F83-I87 HydrophobicContact CD2-CD1 3.8Å; F83-I87 HydrophobicContact CD2-CG1 3.91Å; F83-I87 HydrophobicContact CE2-CD1 3.56Å; F83-I87 HydrophobicContact CE2-CG1 3.75Å; F83-I87 HydrophobicContact CZ-CD1 4.14Å; F83-I87 WeakPolarHBondContact O-CG1 3.29Å; F83-I87 PolarHBondContact O-N 3.44Å; F83-I105 HydrophobicContact CD2-CG2 4.07Å; F83-I105 HydrophobicContact CE2-CG2 3.47Å; F83-I105 VanDerWaalsContact CE2-CG2 3.47Å; F83-I105 HydrophobicContact CZ-CG2 4.46Å; F83-F109 HydrophobicContact CB-CD1 3.68Å; F83-F109 HydrophobicContact CB-CD2 4.32Å; F83-F109 HydrophobicContact CB-CE1 3.79Å; F83-F109 HydrophobicContact CB-CE2 4.44Å; F83-F109 HydrophobicContact CB-CG 3.95Å; F83-F109 HydrophobicContact CB-CZ 4.17Å; F83-F109 HydrophobicContact CD1-CB 3.81Å; F83-F109 HydrophobicContact CD1-CD1 4.34Å; F83-F109 HydrophobicContact CD1-CG 4.11Å; F83-F109 HydrophobicContact CD2-CB 3.79Å; F83-F109 HydrophobicContact CD2-CD1 4.27Å; F83-F109 AromaticContact CD2-CD2 3.55Å; F83-F109 HydrophobicContact CD2-CD2 3.55Å; F83-F109 HydrophobicContact CD2-CE2 4.14Å; F83-F109 AromaticContact CD2-CG 3.61Å; F83-F109 HydrophobicContact CD2-CG 3.61Å; F83-F109 HydrophobicContact CE1-CB 3.85Å; F83-F109 HydrophobicContact CE2-CB 3.86Å; F83-F109 HydrophobicContact CE2-CD2 4.08Å; F83-F109 HydrophobicContact CE2-CG 4.15Å; F83-F109 HydrophobicContact CG-CB 3.8Å; F83-F109 AromaticContact CG-CD1 3.86Å; F83-F109 HydrophobicContact CG-CD1 3.86Å; F83-F109 HydrophobicContact CG-CD2 4.01Å; F83-F109 HydrophobicContact CG-CE1 4.4Å; F83-F109 AromaticContact CG-CG 3.62Å; F83-F109 HydrophobicContact CG-CG 3.62Å; F83-F109 HydrophobicContact CZ-CB 3.88Å; F83-L110 HydrophobicContact CE1-CD2 3.6Å; F83-L110 HydrophobicContact CE1-CG 4.33Å; F83-L110 HydrophobicContact CZ-CD1 4.15Å; F83-L110 HydrophobicContact CZ-CD2 3.49Å; F83-L110 VanDerWaalsContact CZ-CD2 3.49Å; F83-L110 HydrophobicContact CZ-CG 3.79Å; F83-F118 HydrophobicContact CB-CZ 4.47Å; F83-F118 AromaticContact CD1-CD2 3.73Å; F83-F118 HydrophobicContact CD1-CD2 3.73Å; F83-F118 AromaticContact CD1-CE2 3.68Å; F83-F118 HydrophobicContact CD1-CE2 3.68Å; F83-F118 HydrophobicContact CD1-CG 4.29Å; F83-F118 HydrophobicContact CD1-CZ 4.18Å; F83-F118 AromaticContact CE1-CD2 3.92Å; F83-F118 HydrophobicContact CE1-CD2 3.92Å; F83-F118 HydrophobicContact CE1-CE2 4.24Å; F83-F118 HydrophobicContact CG-CE2 4.43Å; F83-I149 HydrophobicContact CE1-CG2 3.84Å; F83-I149 HydrophobicContact CZ-CG2 3.73Å; F83-L153 HydrophobicContact CB-CD1 4.09Å; F83-L153 HydrophobicContact CD1-CD1 3.46Å; F83-L153 VanDerWaalsContact CD1-CD1 3.46Å; F83-L153 HydrophobicContact CD1-CD2 4.06Å; F83-L153 HydrophobicContact CD1-CG 4.39Å; F83-L153 HydrophobicContact CD2-CD1 4.34Å; F83-L153 HydrophobicContact CE1-CD1 3.89Å; F83-L153 HydrophobicContact CE1-CD2 4.47Å; F83-L153 HydrophobicContact CG-CD1 3.71Å; F83-L153 HydrophobicContact CZ-CD1 4.47Å
84V97.3Very high95Very high12 Ų1235.7 Ų35.77%0.07320%0.201CC..Hα-helixtrans-55.7-47.3174.1168.60000111.3V80 V81 S86 I87 N88 L150 L153 L157V80-V84 WeakPolarHBondContact O-CG2 3.43Å; V80-V84 PolarHBondContact O-N 3.03Å; V81-V84 PolarHBondContact O-N 3.16Å; V84-S86 VanDerWaalsContact C-N 3.29Å; V84-S86 PolarHBondContact O-N 3.2Å; V84-I87 PolarHBondContact O-N 3.34Å; V84-N88 WeakPolarHBondContact CG1-ND2 3.19Å; V84-N88 PolarHBondContact O-N 2.91Å; V84-N88 PolarHBondContact O-ND2 3.37Å; V84-N88 VanDerWaalsContact O-ND2 3.08Å; V84-L150 HydrophobicContact CB-CD1 4.36Å; V84-L150 HydrophobicContact CG1-CD1 3.9Å; V84-L150 HydrophobicContact CG2-CD1 4.17Å; V84-L153 HydrophobicContact CG2-CB 3.65Å; V84-L153 HydrophobicContact CG2-CD1 3.98Å; V84-L153 HydrophobicContact CG2-CG 4.48Å; V84-L157 HydrophobicContact CG2-CD1 4.24Å
85D96.6Very high94.7Very high53 Ų5334.6 Ų34.628%0.28320%0.197SC..Hα-helixtrans-63.5-35.6179.6-73.7-11.7000112R68 V81 F83 N88 T89R68-D85 IonicContact CZ-OD1 3.72Å; R68-D85 IonicContact NE-OD1 3.08Å; R68-D85 IonicContact NE-OD2 2.71Å; R68-D85 IonicContact NH2-OD1 2.69Å; R68-D85 PolarHBondContact NH2-OD1 3.45Å; R68-D85 IonicContact NH2-OD2 3.07Å; V81-D85 PolarHBondContact O-N 3.17Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-D85 PolarHBondContact O-N 3.21Å; D85-N88 PolarHBondContact O-N 2.98Å; D85-T89 PolarHBondContact O-N 3.36Å; D85-T89 PolarHBondContact O-OG1 3.23Å
86S97.5Very high94.5Very high23 Ų2332 Ų3216%0.16119%0.189CC..Hα-helixtrans-70.2-41.5176.9-54.30000112D82 F83 V84 N88 T89 F90 I105 F109D82-S86 WeakPolarHBondContact O-CB 3.35Å; D82-S86 PolarHBondContact O-N 3.18Å; D82-S86 PolarHBondContact O-OG 2.67Å; F83-S86 PolarHBondContact O-N 3.21Å; F83-S86 VanDerWaalsContact O-N 3.15Å; V84-S86 VanDerWaalsContact C-N 3.29Å; V84-S86 PolarHBondContact O-N 3.2Å; S86-N88 VanDerWaalsContact C-N 3.35Å; S86-N88 PolarHBondContact O-N 3.14Å; S86-T89 WeakPolarHBondContact O-CB 3.19Å; S86-T89 PolarHBondContact O-N 3.36Å; S86-F90 PolarHBondContact O-N 3.28Å; S86-I105 VanDerWaalsContact O-CD1 3.3Å; S86-I105 WeakPolarHBondContact O-CD1 3.18Å; S86-F109 WeakPolarHBondContact OG-CE2 3.27Å
87I97.2Very high94.4Very high6 Ų633.9 Ų33.93%0.03120%0.199CC..Hα-helixtrans-61.2-44.8173.8-68.5168.6000110.8F83 V84 T89 F90 A91 F146 I149 L150 L153F83-I87 HydrophobicContact CD2-CD1 3.8Å; F83-I87 HydrophobicContact CD2-CG1 3.91Å; F83-I87 HydrophobicContact CE2-CD1 3.56Å; F83-I87 HydrophobicContact CE2-CG1 3.75Å; F83-I87 HydrophobicContact CZ-CD1 4.14Å; F83-I87 WeakPolarHBondContact O-CG1 3.29Å; F83-I87 PolarHBondContact O-N 3.44Å; V84-I87 PolarHBondContact O-N 3.34Å; I87-T89 VanDerWaalsContact C-N 3.27Å; I87-T89 PolarHBondContact O-N 2.95Å; I87-F90 WeakPolarHBondContact O-CB 3.17Å; I87-F90 PolarHBondContact O-N 3.27Å; I87-F90 VanDerWaalsContact O-N 3.13Å; I87-A91 PolarHBondContact O-N 3.45Å; I87-F146 HydrophobicContact CB-CB 4.31Å; I87-F146 HydrophobicContact CD1-CB 3.98Å; I87-F146 HydrophobicContact CG1-CB 3.82Å; I87-F146 HydrophobicContact CG1-CD1 4.3Å; I87-F146 HydrophobicContact CG1-CG 4.06Å; I87-F146 HydrophobicContact CG2-CB 3.59Å; I87-F146 HydrophobicContact CG2-CG 4.42Å; I87-I149 HydrophobicContact CD1-CG2 4.27Å; I87-L150 HydrophobicContact CD1-CB 4.33Å; I87-L150 HydrophobicContact CG2-CB 4.18Å; I87-L150 HydrophobicContact CG2-CD1 4.28Å; I87-L150 HydrophobicContact CG2-CD2 4.2Å; I87-L150 HydrophobicContact CG2-CG 4.46Å; I87-L153 HydrophobicContact CD1-CD1 3.91Å
88N94Very high94.2Very high66 Ų6635.4 Ų35.435%0.35320%0.204SC..Hα-helixtrans-61.5-37.2176.9-74.5-41.6000112V84 D85 S86 A91 V92V84-N88 WeakPolarHBondContact CG1-ND2 3.19Å; V84-N88 PolarHBondContact O-N 2.91Å; V84-N88 PolarHBondContact O-ND2 3.37Å; V84-N88 VanDerWaalsContact O-ND2 3.08Å; D85-N88 PolarHBondContact O-N 2.98Å; S86-N88 VanDerWaalsContact C-N 3.35Å; S86-N88 PolarHBondContact O-N 3.14Å; N88-A91 PolarHBondContact O-N 3.08Å; N88-V92 PolarHBondContact O-N 2.93Å
89T94.2Very high94.1Very high73 Ų7337.7 Ų37.745%0.44821%0.212SC..Hα-helixtrans-63.5-42.6173.8-58.30000111.6D85 S86 I87 A91 V92 C93D85-T89 PolarHBondContact O-N 3.36Å; D85-T89 PolarHBondContact O-OG1 3.23Å; S86-T89 WeakPolarHBondContact O-CB 3.19Å; S86-T89 PolarHBondContact O-N 3.36Å; I87-T89 VanDerWaalsContact C-N 3.27Å; I87-T89 PolarHBondContact O-N 2.95Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 PolarHBondContact O-N 3.36Å; T89-V92 PolarHBondContact O-N 3.29Å; T89-C93 WeakPolarHBondContact O-CB 3.37Å; T89-C93 PolarHBondContact O-N 3.33Å; T89-C93 VanDerWaalsContact O-N 3.09Å
90F95.2Very high94Very high0 Ų043 Ų430%023%0.234CC..Hα-helixtrans-60.8-41.5174.9171.2-87.7000112.2S86 I87 V92 C93 R98 I101 I105 L133 P141 D142 L145 F146S86-F90 PolarHBondContact O-N 3.28Å; I87-F90 WeakPolarHBondContact O-CB 3.17Å; I87-F90 PolarHBondContact O-N 3.27Å; I87-F90 VanDerWaalsContact O-N 3.13Å; F90-V92 PolarHBondContact O-N 2.85Å; F90-C93 PolarHBondContact O-N 3.41Å; F90-C93 PolarHBondContact O-SG 2.89Å; F90-R98 HydrophobicContact CD2-CB 4.43Å; F90-R98 HydrophobicContact CE2-CB 3.84Å; F90-R98 HydrophobicContact CE2-CG 4.22Å; F90-R98 WeakPolarHBondContact CE2-O 3.27Å; F90-R98 HydrophobicContact CZ-CB 4.32Å; F90-R98 HydrophobicContact CZ-CG 4.47Å; F90-I101 HydrophobicContact CB-CG2 3.97Å; F90-I101 HydrophobicContact CD2-CB 4.46Å; F90-I101 HydrophobicContact CD2-CG2 4.25Å; F90-I105 HydrophobicContact CB-CD1 3.64Å; F90-I105 HydrophobicContact CG-CD1 4.33Å; F90-L133 HydrophobicContact CE2-CD2 4.48Å; F90-P141 HydrophobicContact CE2-CB 4.39Å; F90-P141 HydrophobicContact CZ-CB 4Å; F90-D142 VanDerWaalsContact CE1-O 3.22Å; F90-D142 WeakPolarHBondContact CE1-O 3.44Å; F90-D142 WeakPolarHBondContact CZ-O 3.32Å; F90-L145 HydrophobicContact CE1-CB 4.07Å; F90-L145 HydrophobicContact CZ-CB 4.15Å; F90-L145 HydrophobicContact CZ-CD2 4.3Å; F90-F146 AromaticContact CD1-CD2 3.66Å; F90-F146 HydrophobicContact CD1-CD2 3.66Å; F90-F146 AromaticContact CD1-CE2 3.97Å; F90-F146 HydrophobicContact CD1-CE2 3.97Å; F90-F146 HydrophobicContact CD2-CD2 4.47Å; F90-F146 AromaticContact CD2-CE2 3.95Å; F90-F146 HydrophobicContact CD2-CE2 3.95Å; F90-F146 AromaticContact CE1-CD2 3.77Å; F90-F146 HydrophobicContact CE1-CD2 3.77Å; F90-F146 AromaticContact CE1-CE2 3.99Å; F90-F146 HydrophobicContact CE1-CE2 3.99Å; F90-F146 AromaticContact CE2-CE2 3.95Å; F90-F146 HydrophobicContact CE2-CE2 3.95Å; F90-F146 HydrophobicContact CG-CD2 4.04Å; F90-F146 AromaticContact CG-CE2 3.95Å; F90-F146 HydrophobicContact CG-CE2 3.95Å; F90-F146 HydrophobicContact CZ-CD2 4.22Å; F90-F146 AromaticContact CZ-CE2 3.98Å; F90-F146 HydrophobicContact CZ-CE2 3.98Å
91A92.2Very high93.9Very high27 Ų2744.4 Ų44.422%0.22324%0.241CC..Hα-helixtrans-62.8-29.6-178.300000113.4I87 N88 T89I87-A91 PolarHBondContact O-N 3.45Å; N88-A91 PolarHBondContact O-N 3.08Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 PolarHBondContact O-N 3.36Å
92V91.3Very high93.9Very high45 Ų4543.8 Ų43.827%0.27324%0.237SC..Hα-helixtrans-104.6-5.4-177.1-54.40000114.5N88 T89 F90 V459 R460 L465N88-V92 PolarHBondContact O-N 2.93Å; T89-V92 PolarHBondContact O-N 3.29Å; F90-V92 PolarHBondContact O-N 2.85Å; V92-V459 HydrophobicContact CB-CG1 4.21Å; V92-V459 HydrophobicContact CG1-CG1 3.84Å; V92-R460 WeakPolarHBondContact O-CG 3.43Å; V92-L465 HydrophobicContact CB-CD1 4.28Å; V92-L465 HydrophobicContact CG2-CD1 4.02Å
93C91.3Very high93.9Very high9 Ų942.9 Ų42.96%0.06123%0.232CC..SBendtrans-69.9158.2178.875.90000111.9T89 F90 R98 I101T89-C93 WeakPolarHBondContact O-CB 3.37Å; T89-C93 PolarHBondContact O-N 3.33Å; T89-C93 VanDerWaalsContact O-N 3.09Å; F90-C93 PolarHBondContact O-N 3.41Å; F90-C93 PolarHBondContact O-SG 2.89Å; C93-R98 WeakPolarHBondContact SG-CG 3.44Å; C93-I101 HydrophobicContact CB-CD1 3.51Å
94I89.1Confident93.8Very high56 Ų5648.1 Ų48.129%0.28726%0.257SS..  trans-64.9145.4176.956.2177.1000110S96 E97 R98I94-S96 WeakPolarHBondContact CD1-OG 3.28Å; I94-S96 PolarHBondContact O-N 3.41Å; I94-S96 VanDerWaalsContact O-N 3.1Å; I94-E97 HydrophobicContact CD1-CG 3.87Å; I94-E97 HydrophobicContact CG1-CB 3.95Å; I94-E97 HydrophobicContact CG1-CG 3.62Å; I94-E97 PolarHBondContact O-N 2.94Å; I94-R98 PolarHBondContact O-N 2.67Å
95P88.3Confident93.8Very high41 Ų4147.8 Ų47.827%0.26625%0.254SS..Hα-helixtrans-51.6-39.9-175.6-27.934.2000113.9E97 R98 Y140P95-E97 PolarHBondContact O-N 3.28Å; P95-E97 VanDerWaalsContact O-N 3.16Å; P95-R98 PolarHBondContact O-N 2.94Å; P95-Y140 VanDerWaalsContact C-CD1 3.47Å; P95-Y140 HydrophobicContact CB-CD1 4.32Å; P95-Y140 HydrophobicContact CB-CD2 3.28Å; P95-Y140 HydrophobicContact CB-CE2 3.74Å; P95-Y140 HydrophobicContact CB-CG 3.59Å; P95-Y140 WeakPolarHBondContact O-CD1 3.44Å; P95-Y140 VanDerWaalsContact O-CG 3.31Å
96S89.8Confident93.8Very high78 Ų7847 Ų4755%0.54525%0.248SC..Hα-helixtrans-63.3-17.7178.756.70000115.2I94I94-S96 WeakPolarHBondContact CD1-OG 3.28Å; I94-S96 PolarHBondContact O-N 3.41Å; I94-S96 VanDerWaalsContact O-N 3.1Å
97E91.8Very high93.8Very high91 Ų9153.2 Ų53.243%0.42527%0.268SS..Hα-helixtrans-101.8-13.5178.7-69.5-176.515600113.4I94 P95 Q99 K100 I101I94-E97 HydrophobicContact CD1-CG 3.87Å; I94-E97 HydrophobicContact CG1-CB 3.95Å; I94-E97 HydrophobicContact CG1-CG 3.62Å; I94-E97 PolarHBondContact O-N 2.94Å; P95-E97 PolarHBondContact O-N 3.28Å; P95-E97 VanDerWaalsContact O-N 3.16Å; E97-Q99 PolarHBondContact O-N 3.49Å; E97-K100 PolarHBondContact O-N 3.23Å; E97-I101 HydrophobicContact CB-CD1 3.94Å; E97-I101 PolarHBondContact O-N 3.33Å
98R91.9Very high93.7Very high38 Ų3858.1 Ų58.114%0.14329%0.286CS..Hα-helixtrans-56.2-46.7-172.9-78.9-178.5-162.6156.95.3113.1F90 C93 I94 P95 K100 I101 G102 P141F90-R98 HydrophobicContact CD2-CB 4.43Å; F90-R98 HydrophobicContact CE2-CB 3.84Å; F90-R98 HydrophobicContact CE2-CG 4.22Å; F90-R98 WeakPolarHBondContact CE2-O 3.27Å; F90-R98 HydrophobicContact CZ-CB 4.32Å; F90-R98 HydrophobicContact CZ-CG 4.47Å; C93-R98 WeakPolarHBondContact SG-CG 3.44Å; I94-R98 PolarHBondContact O-N 2.67Å; P95-R98 PolarHBondContact O-N 2.94Å; R98-K100 VanDerWaalsContact C-N 3.34Å; R98-K100 PolarHBondContact O-N 3.03Å; R98-I101 PolarHBondContact O-N 2.94Å; R98-G102 PolarHBondContact O-N 3.19Å; R98-P141 HydrophobicContact CB-CB 4.37Å; R98-P141 HydrophobicContact CB-CG 4.34Å; R98-P141 WeakPolarHBondContact CD-O 3.31Å; R98-P141 PolarHBondContact NH1-O 3.37Å
99Q93.8Very high93.8Very high70 Ų7055 Ų5533%0.32727%0.269SS..Hα-helixtrans-60.6-45.2-178.8-168.3-176.220.900111.6E97 G102 L103 L133 S136 P141E97-Q99 PolarHBondContact O-N 3.49Å; Q99-G102 PolarHBondContact O-N 2.95Å; Q99-L103 HydrophobicContact CG-CD1 4.19Å; Q99-L103 WeakPolarHBondContact O-CB 3.38Å; Q99-L103 WeakPolarHBondContact O-CG 3.26Å; Q99-L103 PolarHBondContact O-N 3.26Å; Q99-L133 WeakPolarHBondContact CG-O 3.27Å; Q99-L133 PolarHBondContact NE2-O 3.24Å; Q99-S136 WeakPolarHBondContact CG-OG 3.47Å; Q99-S136 PolarHBondContact NE2-OG 2.85Å; Q99-S136 VanDerWaalsContact NE2-OG 3.09Å; Q99-P141 HydrophobicContact CB-CG 4.04Å; Q99-P141 HydrophobicContact CG-CG 4.46Å
100K94.4Very high93.8Very high151 Ų15151.9 Ų51.966%0.65725%0.249SC*.Hα-helixtrans-60.7-51.4177.8179.6-173.8171.6-170.40111.1E97 R98 L103 E104E97-K100 PolarHBondContact O-N 3.23Å; R98-K100 VanDerWaalsContact C-N 3.34Å; R98-K100 PolarHBondContact O-N 3.03Å; K100-L103 PolarHBondContact O-N 3.41Å; K100-E104 PolarHBondContact O-N 3.13Å
101I95.8Very high93.7Very high30 Ų3052.7 Ų52.715%0.15426%0.255CS..Hα-helixtrans-64.6-42.8-178.9-67.2169.1000110.5F90 C93 E97 R98 L103 E104 I105F90-I101 HydrophobicContact CB-CG2 3.97Å; F90-I101 HydrophobicContact CD2-CB 4.46Å; F90-I101 HydrophobicContact CD2-CG2 4.25Å; C93-I101 HydrophobicContact CB-CD1 3.51Å; E97-I101 HydrophobicContact CB-CD1 3.94Å; E97-I101 PolarHBondContact O-N 3.33Å; R98-I101 PolarHBondContact O-N 2.94Å; I101-L103 PolarHBondContact O-N 3.42Å; I101-E104 WeakPolarHBondContact O-CB 3.3Å; I101-E104 PolarHBondContact O-N 2.87Å; I101-I105 HydrophobicContact CG2-CD1 3.99Å; I101-I105 HydrophobicContact CG2-CG1 4.48Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.4Å; I101-I105 PolarHBondContact O-N 3.14Å
102G96.6Very high93.4Very high0 Ų058.8 Ų58.80%028%0.284CS..Hα-helixtrans-62.2-42.7178.200000112.7R98 Q99 E104 I105 Y106 L133R98-G102 PolarHBondContact O-N 3.19Å; Q99-G102 PolarHBondContact O-N 2.95Å; G102-E104 VanDerWaalsContact C-N 3.32Å; G102-E104 PolarHBondContact O-N 3.42Å; G102-I105 WeakPolarHBondContact O-CB 3.26Å; G102-I105 PolarHBondContact O-N 3.07Å; G102-Y106 PolarHBondContact O-N 3.19Å; G102-L133 VanDerWaalsContact C-CD1 3.48Å; G102-L133 WeakPolarHBondContact O-CD1 3.22Å
103L95.7Very high93.2Very high32 Ų3265.1 Ų65.117%0.16831%0.313CS..Hα-helixtrans-66.8-32.8174.4-73171.4000112.5Q99 K100 I101 R107 L130 L133Q99-L103 HydrophobicContact CG-CD1 4.19Å; Q99-L103 WeakPolarHBondContact O-CB 3.38Å; Q99-L103 WeakPolarHBondContact O-CG 3.26Å; Q99-L103 PolarHBondContact O-N 3.26Å; K100-L103 PolarHBondContact O-N 3.41Å; I101-L103 PolarHBondContact O-N 3.42Å; L103-R107 VanDerWaalsContact O-CG 3.3Å; L103-R107 WeakPolarHBondContact O-CG 3.39Å; L103-R107 PolarHBondContact O-N 3.16Å; L103-L130 HydrophobicContact CD2-CD1 4.22Å; L103-L133 HydrophobicContact CD2-CB 3.85Å; L103-L133 HydrophobicContact CD2-CD1 4.3Å; L103-L133 HydrophobicContact CG-CB 4.21Å
104E96.5Very high93.1Very high109 Ų10966.1 Ų66.151%0.50932%0.32SS..Hα-helixtrans-65.3-45.5172.3-174.917816800111.4K100 I101 G102 Y106 R107 R108K100-E104 PolarHBondContact O-N 3.13Å; I101-E104 WeakPolarHBondContact O-CB 3.3Å; I101-E104 PolarHBondContact O-N 2.87Å; G102-E104 VanDerWaalsContact C-N 3.32Å; G102-E104 PolarHBondContact O-N 3.42Å; E104-Y106 PolarHBondContact O-N 3.34Å; E104-R107 PolarHBondContact O-N 3.43Å; E104-R108 VanDerWaalsContact O-CB 3.3Å; E104-R108 WeakPolarHBondContact O-CB 3.35Å; E104-R108 PolarHBondContact O-N 3.13Å
105I97.2Very high93Very high5 Ų566.2 Ų66.23%0.02634%0.335CS..Hα-helixtrans-57.3-50.3174.3-69.2169.1000110.3F83 S86 F90 I101 G102 R107 R108 F109 F146F83-I105 HydrophobicContact CD2-CG2 4.07Å; F83-I105 HydrophobicContact CE2-CG2 3.47Å; F83-I105 VanDerWaalsContact CE2-CG2 3.47Å; F83-I105 HydrophobicContact CZ-CG2 4.46Å; S86-I105 VanDerWaalsContact O-CD1 3.3Å; S86-I105 WeakPolarHBondContact O-CD1 3.18Å; F90-I105 HydrophobicContact CB-CD1 3.64Å; F90-I105 HydrophobicContact CG-CD1 4.33Å; I101-I105 HydrophobicContact CG2-CD1 3.99Å; I101-I105 HydrophobicContact CG2-CG1 4.48Å; I101-I105 VanDerWaalsContact O-CG1 3.31Å; I101-I105 WeakPolarHBondContact O-CG1 3.4Å; I101-I105 PolarHBondContact O-N 3.14Å; G102-I105 WeakPolarHBondContact O-CB 3.26Å; G102-I105 PolarHBondContact O-N 3.07Å; I105-R107 PolarHBondContact O-N 2.93Å; I105-R108 PolarHBondContact O-N 3.5Å; I105-F109 HydrophobicContact CG2-CD2 4.1Å; I105-F109 WeakPolarHBondContact O-CD2 3.34Å; I105-F109 PolarHBondContact O-N 3.44Å; I105-F146 HydrophobicContact CB-CE1 4.46Å; I105-F146 HydrophobicContact CB-CZ 4.12Å; I105-F146 HydrophobicContact CD1-CE2 4.27Å; I105-F146 HydrophobicContact CD1-CZ 4.45Å; I105-F146 HydrophobicContact CG2-CD1 4.35Å; I105-F146 HydrophobicContact CG2-CE1 3.69Å; I105-F146 HydrophobicContact CG2-CZ 3.83Å
106Y96.8Very high93.2Very high37 Ų3767.3 Ų67.315%0.14534%0.335CS..Iπ-helixtrans-56.1-50.9178.9180-90.3000111.3G102 E104 R108 L110 S111 D126 V129 L130G102-Y106 PolarHBondContact O-N 3.19Å; E104-Y106 PolarHBondContact O-N 3.34Å; Y106-R108 PolarHBondContact O-N 3.29Å; Y106-L110 HydrophobicContact CD2-CB 3.76Å; Y106-L110 HydrophobicContact CD2-CD1 4.06Å; Y106-L110 HydrophobicContact CE2-CB 3.95Å; Y106-L110 HydrophobicContact CG-CB 4.37Å; Y106-L110 CarbonylContact O-C 3.48Å; Y106-L110 WeakPolarHBondContact O-CA 3.44Å; Y106-L110 PolarHBondContact O-N 2.84Å; Y106-S111 PolarHBondContact O-N 3.4Å; Y106-D126 HydrophobicContact CE2-CB 4.19Å; Y106-V129 HydrophobicContact CD2-CG1 4.44Å; Y106-L130 HydrophobicContact CD1-CD1 3.84Å; Y106-L130 HydrophobicContact CD2-CB 4.07Å; Y106-L130 HydrophobicContact CD2-CD1 4.34Å; Y106-L130 HydrophobicContact CE1-CD1 3.81Å; Y106-L130 HydrophobicContact CE1-CD2 3.97Å; Y106-L130 HydrophobicContact CE1-CG 4.32Å; Y106-L130 HydrophobicContact CE2-CB 3.66Å; Y106-L130 HydrophobicContact CE2-CD1 4.33Å; Y106-L130 HydrophobicContact CE2-CD2 4.36Å; Y106-L130 HydrophobicContact CE2-CG 4.33Å; Y106-L130 HydrophobicContact CG-CD1 4.12Å
107R95.9Very high93.1Very high153 Ų15370.6 Ų70.658%0.57734%0.34SS*.Iπ-helixtrans-60.7-44.1179.2-72179.7-165.3109.70.7112.3L103 E104 I105 S111L103-R107 VanDerWaalsContact O-CG 3.3Å; L103-R107 WeakPolarHBondContact O-CG 3.39Å; L103-R107 PolarHBondContact O-N 3.16Å; E104-R107 PolarHBondContact O-N 3.43Å; I105-R107 PolarHBondContact O-N 2.93Å; R107-S111 PolarHBondContact O-OG 2.93Å
108R95.8Very high93.1Very high109 Ų10966.4 Ų66.441%0.41132%0.32SS..Iπ-helixtrans-72.6-32.3-174.6-176.2173.6170.4-173-5.5113.3D82 E104 I105 Y106 S114D82-R108 IonicContact OD2-NH2 2.7Å; D82-R108 PolarHBondContact OD2-NH2 3.31Å; D82-R108 VanDerWaalsContact OD2-NH2 3.07Å; E104-R108 VanDerWaalsContact O-CB 3.3Å; E104-R108 WeakPolarHBondContact O-CB 3.35Å; E104-R108 PolarHBondContact O-N 3.13Å; I105-R108 PolarHBondContact O-N 3.5Å; Y106-R108 PolarHBondContact O-N 3.29Å; R108-S114 WeakPolarHBondContact O-CB 3.32Å
109F96.2Very high93Very high2 Ų269.4 Ų69.41%0.00934%0.336CS..Iπ-helixtrans-123.9-30.8-168.2-60.4-70.9000115.3D82 F83 S86 I105 F118D82-F109 HydrophobicContact CB-CE1 4.1Å; D82-F109 HydrophobicContact CB-CZ 4.09Å; F83-F109 HydrophobicContact CB-CD1 3.68Å; F83-F109 HydrophobicContact CB-CD2 4.32Å; F83-F109 HydrophobicContact CB-CE1 3.79Å; F83-F109 HydrophobicContact CB-CE2 4.44Å; F83-F109 HydrophobicContact CB-CG 3.95Å; F83-F109 HydrophobicContact CB-CZ 4.17Å; F83-F109 HydrophobicContact CD1-CB 3.81Å; F83-F109 HydrophobicContact CD1-CD1 4.34Å; F83-F109 HydrophobicContact CD1-CG 4.11Å; F83-F109 HydrophobicContact CD2-CB 3.79Å; F83-F109 HydrophobicContact CD2-CD1 4.27Å; F83-F109 AromaticContact CD2-CD2 3.55Å; F83-F109 HydrophobicContact CD2-CD2 3.55Å; F83-F109 HydrophobicContact CD2-CE2 4.14Å; F83-F109 AromaticContact CD2-CG 3.61Å; F83-F109 HydrophobicContact CD2-CG 3.61Å; F83-F109 HydrophobicContact CE1-CB 3.85Å; F83-F109 HydrophobicContact CE2-CB 3.86Å; F83-F109 HydrophobicContact CE2-CD2 4.08Å; F83-F109 HydrophobicContact CE2-CG 4.15Å; F83-F109 HydrophobicContact CG-CB 3.8Å; F83-F109 AromaticContact CG-CD1 3.86Å; F83-F109 HydrophobicContact CG-CD1 3.86Å; F83-F109 HydrophobicContact CG-CD2 4.01Å; F83-F109 HydrophobicContact CG-CE1 4.4Å; F83-F109 AromaticContact CG-CG 3.62Å; F83-F109 HydrophobicContact CG-CG 3.62Å; F83-F109 HydrophobicContact CZ-CB 3.88Å; S86-F109 WeakPolarHBondContact OG-CE2 3.27Å; I105-F109 HydrophobicContact CG2-CD2 4.1Å; I105-F109 WeakPolarHBondContact O-CD2 3.34Å; I105-F109 PolarHBondContact O-N 3.44Å; F109-F118 HydrophobicContact CB-CD2 4.33Å; F109-F118 HydrophobicContact CB-CE2 3.78Å; F109-F118 AromaticContact CD1-CE2 3.76Å; F109-F118 HydrophobicContact CD1-CE2 3.76Å; F109-F118 HydrophobicContact CD1-CZ 4.05Å; F109-F118 HydrophobicContact CG-CE2 4.24Å; F109-F118 WeakPolarHBondContact O-CD2 3.37Å; F109-F118 WeakPolarHBondContact O-CE2 3.5Å
110L95.4Very high92.8Very high6 Ų671.8 Ų71.83%0.03135%0.347CS..Iπ-helixtrans-109.2-31.3-170.9-62.6-177.4000113.3F83 Y106 I124 D126 V129 F146 I149F83-L110 HydrophobicContact CE1-CD2 3.6Å; F83-L110 HydrophobicContact CE1-CG 4.33Å; F83-L110 HydrophobicContact CZ-CD1 4.15Å; F83-L110 HydrophobicContact CZ-CD2 3.49Å; F83-L110 VanDerWaalsContact CZ-CD2 3.49Å; F83-L110 HydrophobicContact CZ-CG 3.79Å; Y106-L110 HydrophobicContact CD2-CB 3.76Å; Y106-L110 HydrophobicContact CD2-CD1 4.06Å; Y106-L110 HydrophobicContact CE2-CB 3.95Å; Y106-L110 HydrophobicContact CG-CB 4.37Å; Y106-L110 CarbonylContact O-C 3.48Å; Y106-L110 WeakPolarHBondContact O-CA 3.44Å; Y106-L110 PolarHBondContact O-N 2.84Å; L110-I124 HydrophobicContact CD2-CG2 3.94Å; L110-D126 HydrophobicContact CB-CB 4.45Å; L110-D126 VanDerWaalsContact CD2-OD1 3.31Å; L110-D126 WeakPolarHBondContact CD2-OD1 3.47Å; L110-V129 HydrophobicContact CD1-CG1 4.24Å; L110-F146 HydrophobicContact CD1-CE1 4.25Å; L110-I149 HydrophobicContact CD1-CD1 3.86Å
111S92.1Very high92.8Very high18 Ų1866.4 Ų66.413%0.12633%0.325CS..SBendtrans-61.8145.4-179.679.20000111.8Y106 R107 M113 S114Y106-S111 PolarHBondContact O-N 3.4Å; R107-S111 PolarHBondContact O-OG 2.93Å; S111-M113 PolarHBondContact O-N 3.18Å; S111-M113 VanDerWaalsContact O-N 3.09Å; S111-S114 WeakPolarHBondContact O-CB 3.43Å; S111-S114 PolarHBondContact O-N 3.22Å; S111-S114 PolarHBondContact O-OG 3.47Å; S111-S114 PolarHBondContact OG-N 3.3Å
112D86.2Confident92.6Very high155 Ų15566.5 Ų66.583%0.82933%0.333SS*.G310 helixtrans-54.6-32.2175.4-69.9-29.5000112.3S114 G115D112-S114 PolarHBondContact O-N 3.04Å; D112-G115 PolarHBondContact O-N 2.69Å
113M87.6Confident92.4Very high177 Ų17773.7 Ų73.787%0.87237%0.372SS*.G310 helixtrans-69.5-17.9178.2-62.8-58.2-62.100113.6S111 G115S111-M113 PolarHBondContact O-N 3.18Å; S111-M113 VanDerWaalsContact O-N 3.09Å; M113-G115 PolarHBondContact O-N 2.71Å
114S88.3Confident92.2Very high30 Ų3072.5 Ų72.521%0.2137%0.366CS..G310 helixtrans-67.8-23.4178.173.20000112.7R108 S111 D112 K116R108-S114 WeakPolarHBondContact O-CB 3.32Å; S111-S114 WeakPolarHBondContact O-CB 3.43Å; S111-S114 PolarHBondContact O-N 3.22Å; S111-S114 PolarHBondContact O-OG 3.47Å; S111-S114 PolarHBondContact OG-N 3.3Å; D112-S114 PolarHBondContact O-N 3.04Å; S114-K116 PolarHBondContact O-N 3.5Å; S114-K116 VanDerWaalsContact O-N 3.11Å; S114-K116 PolarHBondContact OG-N 3.11Å; S114-K116 VanDerWaalsContact OG-N 3.17Å
115G88.1Confident91.9Very high58 Ų5870.8 Ų70.860%0.59836%0.36SS*.  trans64.45.3-172.300000114.2D112 M113D112-G115 PolarHBondContact O-N 2.69Å; M113-G115 PolarHBondContact O-N 2.71Å
116K90.6Very high91.6Very high64 Ų6471.1 Ų71.128%0.27836%0.362SS..  trans-77.6138.4178.4-57.1-55.6-171.2-176.50109.6D79 S114 F118D79-K116 IonicContact OD1-NZ 3.27Å; D79-K116 PolarHBondContact OD1-NZ 3.17Å; D79-K116 IonicContact OD2-NZ 2.66Å; D79-K116 PolarHBondContact OD2-NZ 3.36Å; S114-K116 PolarHBondContact O-N 3.5Å; S114-K116 VanDerWaalsContact O-N 3.11Å; S114-K116 PolarHBondContact OG-N 3.11Å; S114-K116 VanDerWaalsContact OG-N 3.17Å; K116-F118 HydrophobicContact CB-CD2 3.72Å; K116-F118 HydrophobicContact CB-CE2 3.42Å; K116-F118 VanDerWaalsContact CB-CE2 3.42Å; K116-F118 HydrophobicContact CB-CG 4.45Å; K116-F118 HydrophobicContact CB-CZ 3.95Å; K116-F118 HydrophobicContact CD-CE2 4.47Å; K116-F118 HydrophobicContact CD-CZ 4.34Å; K116-F118 HydrophobicContact CG-CE2 3.75Å; K116-F118 HydrophobicContact CG-CZ 4.11Å
117K88.3Confident91.3Very high148 Ų14875.3 Ų75.364%0.64339%0.387SS*.  trans-104.639.1-174.6-62.7-172.5179-177.20112.7H119 Q120K117-H119 PolarHBondContact O-N 3.4Å; K117-Q120 WeakPolarHBondContact O-CB 3.23Å; K117-Q120 WeakPolarHBondContact O-CG 3.34Å; K117-Q120 PolarHBondContact O-N 3.4Å; K117-Q120 VanDerWaalsContact O-N 3.15Å
118F92.5Very high91.2Very high2 Ų271.2 Ų71.21%0.00938%0.381CS..G310 helixtrans-67.6-22.8-173.7-58.2-53.7000114F76 D79 V80 F83 F109 K116 Q120 L121 I124F76-F118 AromaticContact CE2-CD1 3.96Å; F76-F118 HydrophobicContact CE2-CD1 3.96Å; F76-F118 HydrophobicContact CE2-CE1 4.14Å; F76-F118 HydrophobicContact CZ-CD1 4.15Å; D79-F118 HydrophobicContact CB-CE1 4.13Å; D79-F118 HydrophobicContact CB-CZ 3.93Å; V80-F118 HydrophobicContact CG2-CD1 3.99Å; V80-F118 HydrophobicContact CG2-CE1 3.69Å; F83-F118 HydrophobicContact CB-CZ 4.47Å; F83-F118 AromaticContact CD1-CD2 3.73Å; F83-F118 HydrophobicContact CD1-CD2 3.73Å; F83-F118 AromaticContact CD1-CE2 3.68Å; F83-F118 HydrophobicContact CD1-CE2 3.68Å; F83-F118 HydrophobicContact CD1-CG 4.29Å; F83-F118 HydrophobicContact CD1-CZ 4.18Å; F83-F118 AromaticContact CE1-CD2 3.92Å; F83-F118 HydrophobicContact CE1-CD2 3.92Å; F83-F118 HydrophobicContact CE1-CE2 4.24Å; F83-F118 HydrophobicContact CG-CE2 4.43Å; F109-F118 HydrophobicContact CB-CD2 4.33Å; F109-F118 HydrophobicContact CB-CE2 3.78Å; F109-F118 AromaticContact CD1-CE2 3.76Å; F109-F118 HydrophobicContact CD1-CE2 3.76Å; F109-F118 HydrophobicContact CD1-CZ 4.05Å; F109-F118 HydrophobicContact CG-CE2 4.24Å; F109-F118 WeakPolarHBondContact O-CD2 3.37Å; F109-F118 WeakPolarHBondContact O-CE2 3.5Å; K116-F118 HydrophobicContact CB-CD2 3.72Å; K116-F118 HydrophobicContact CB-CE2 3.42Å; K116-F118 VanDerWaalsContact CB-CE2 3.42Å; K116-F118 HydrophobicContact CB-CG 4.45Å; K116-F118 HydrophobicContact CB-CZ 3.95Å; K116-F118 HydrophobicContact CD-CE2 4.47Å; K116-F118 HydrophobicContact CD-CZ 4.34Å; K116-F118 HydrophobicContact CG-CE2 3.75Å; K116-F118 HydrophobicContact CG-CZ 4.11Å; F118-Q120 PolarHBondContact O-N 2.88Å; F118-L121 HydrophobicContact CD1-CD1 4.16Å; F118-L121 VanDerWaalsContact O-CB 3.24Å; F118-L121 WeakPolarHBondContact O-CB 3.5Å; F118-L121 WeakPolarHBondContact O-CG 3.36Å; F118-L121 PolarHBondContact O-N 3.32Å; F118-I124 VanDerWaalsContact C-CD1 3.4Å; F118-I124 HydrophobicContact CB-CD1 3.5Å; F118-I124 VanDerWaalsContact O-CD1 3.28Å; F118-I124 WeakPolarHBondContact O-CD1 3.37Å
119H88.7Confident91.1Very high101 Ų10166.2 Ų66.247%0.46836%0.363SS..G310 helixtrans-53.7-20.9170.8-67.994000113.8K117 L121 G122 D126K117-H119 PolarHBondContact O-N 3.4Å; H119-L121 PolarHBondContact O-N 3.09Å; H119-G122 VanDerWaalsContact O-O 3.11Å; H119-D126 IonicContact CE1-OD2 3.88Å; H119-D126 PolarHBondContact CE1-OD2 3.21Å; H119-D126 IonicContact NE2-OD2 3.9Å; H119-D126 PolarHBondContact NE2-OD2 3.4Å
120Q91.3Very high91Very high121 Ų12167.9 Ų67.957%0.56537%0.372SS*.G310 helixtrans-72.3-13.6174.183.6-166.3-5.800113.7F76 K117 F118F76-Q120 HydrophobicContact CZ-CG 4.3Å; K117-Q120 WeakPolarHBondContact O-CB 3.23Å; K117-Q120 WeakPolarHBondContact O-CG 3.34Å; K117-Q120 PolarHBondContact O-N 3.4Å; K117-Q120 VanDerWaalsContact O-N 3.15Å; F118-Q120 PolarHBondContact O-N 2.88Å
121L92.9Very high90.9Very high38 Ų3873.1 Ų73.120%0.19940%0.396CS..G310 helixtrans-87-21.7-179.4-59.5-178.2000113F76 V80 F118 H119 I152 L153 F156F76-L121 HydrophobicContact CE1-CD1 4.44Å; F76-L121 HydrophobicContact CE1-CD2 3.91Å; F76-L121 HydrophobicContact CE1-CG 4.49Å; F76-L121 HydrophobicContact CZ-CD1 4.02Å; F76-L121 HydrophobicContact CZ-CD2 3.89Å; F76-L121 HydrophobicContact CZ-CG 4.02Å; V80-L121 HydrophobicContact CG2-CD1 3.87Å; F118-L121 HydrophobicContact CD1-CD1 4.16Å; F118-L121 VanDerWaalsContact O-CB 3.24Å; F118-L121 WeakPolarHBondContact O-CB 3.5Å; F118-L121 WeakPolarHBondContact O-CG 3.36Å; F118-L121 PolarHBondContact O-N 3.32Å; H119-L121 PolarHBondContact O-N 3.09Å; L121-I152 HydrophobicContact CB-CG2 3.97Å; L121-L153 HydrophobicContact CD1-CD2 3.85Å; L121-F156 HydrophobicContact CD1-CB 4.39Å; L121-F156 HydrophobicContact CD1-CD1 4.31Å; L121-F156 HydrophobicContact CD1-CG 4.25Å; L121-F156 HydrophobicContact CD2-CB 4.27Å; L121-F156 HydrophobicContact CD2-CD1 4.28Å; L121-F156 HydrophobicContact CD2-CD2 3.45Å; L121-F156 VanDerWaalsContact CD2-CD2 3.45Å; L121-F156 HydrophobicContact CD2-CE2 3.76Å; L121-F156 HydrophobicContact CD2-CG 3.73Å; L121-F156 HydrophobicContact CD2-CZ 4.29Å
122G92.2Very high91Very high32 Ų3273.9 Ų73.933%0.3340%0.404SS..SBendtrans163-174.3-176.400000112.3H119 I124H119-G122 VanDerWaalsContact O-O 3.11Å; G122-I124 PolarHBondContact O-N 3.43Å; G122-I124 VanDerWaalsContact O-N 3.1Å
123N91.5Very high91.4Very high150 Ų15066.5 Ų66.580%0.80236%0.364SS*.  trans-76.695.8178.1-17230000110.6I152N123-I152 WeakPolarHBondContact O-CD1 3.45Å
124I91.8Very high91.5Very high8 Ų863.4 Ų63.44%0.04135%0.347CS..  trans-95.4119.8176.9-49.6-171.8000108.5L110 F118 G122 D126 I149 I152L110-I124 HydrophobicContact CD2-CG2 3.94Å; F118-I124 VanDerWaalsContact C-CD1 3.4Å; F118-I124 HydrophobicContact CB-CD1 3.5Å; F118-I124 VanDerWaalsContact O-CD1 3.28Å; F118-I124 WeakPolarHBondContact O-CD1 3.37Å; G122-I124 PolarHBondContact O-N 3.43Å; G122-I124 VanDerWaalsContact O-N 3.1Å; I124-D126 WeakPolarHBondContact CG2-OD1 3.36Å; I124-D126 PolarHBondContact O-N 3.12Å; I124-I149 HydrophobicContact CG2-CB 4.48Å; I124-I149 HydrophobicContact CG2-CD1 3.52Å; I124-I149 HydrophobicContact CG2-CG1 3.71Å; I124-I149 HydrophobicContact CG2-CG2 4.08Å; I124-I152 HydrophobicContact CG1-CD1 4.41Å
125D90.3Very high91.4Very high73 Ų7367.4 Ų67.439%0.3936%0.363SS..  trans-93.173.3-178.3-174.25.8000111.7N127 S128 V129D125-N127 VanDerWaalsContact C-N 3.25Å; D125-N127 PolarHBondContact O-N 3.24Å; D125-S128 VanDerWaalsContact CG-CB 3.5Å; D125-S128 PolarHBondContact OD1-N 3.19Å; D125-S128 PolarHBondContact OD1-OG 3.26Å; D125-S128 WeakPolarHBondContact OD2-CB 3.44Å; D125-S128 PolarHBondContact OD2-OG 3.18Å; D125-V129 PolarHBondContact O-N 3.1Å
126D90.8Very high90.8Very high12 Ų1265.2 Ų65.26%0.06434%0.338CS..Hα-helixtrans-64.6-31.9-177.1-67.90.2000112.5Y106 L110 H119 I124 V129 L130Y106-D126 HydrophobicContact CE2-CB 4.19Å; L110-D126 HydrophobicContact CB-CB 4.45Å; L110-D126 VanDerWaalsContact CD2-OD1 3.31Å; L110-D126 WeakPolarHBondContact CD2-OD1 3.47Å; H119-D126 IonicContact CE1-OD2 3.88Å; H119-D126 PolarHBondContact CE1-OD2 3.21Å; H119-D126 IonicContact NE2-OD2 3.9Å; H119-D126 PolarHBondContact NE2-OD2 3.4Å; I124-D126 WeakPolarHBondContact CG2-OD1 3.36Å; I124-D126 PolarHBondContact O-N 3.12Å; D126-V129 PolarHBondContact O-N 3.45Å; D126-L130 PolarHBondContact O-N 3.34Å
127N91.4Very high89.9Confident125 Ų12568.3 Ų68.367%0.66836%0.358SS*.Hα-helixtrans-68.3-46.8-177-70.9-38.1000111.5D125 V129 L130 H131D125-N127 VanDerWaalsContact C-N 3.25Å; D125-N127 PolarHBondContact O-N 3.24Å; N127-V129 VanDerWaalsContact C-N 3.28Å; N127-V129 PolarHBondContact O-N 3.17Å; N127-L130 PolarHBondContact O-N 3.38Å; N127-H131 VanDerWaalsContact O-CB 3.3Å; N127-H131 WeakPolarHBondContact O-CB 3.48Å; N127-H131 PolarHBondContact O-N 3.02Å
128S92.5Very high89Confident66 Ų6669 Ų6946%0.46237%0.368SS..Hα-helixtrans-63.5-37.7176.7-65.40000111.7D125 A132D125-S128 VanDerWaalsContact CG-CB 3.5Å; D125-S128 PolarHBondContact OD1-N 3.19Å; D125-S128 PolarHBondContact OD1-OG 3.26Å; D125-S128 WeakPolarHBondContact OD2-CB 3.44Å; D125-S128 PolarHBondContact OD2-OG 3.18Å; S128-A132 WeakPolarHBondContact O-CB 3.33Å; S128-A132 PolarHBondContact O-N 3.44Å
129V94.5Very high88.4Confident5 Ų572.3 Ų72.33%0.0340%0.396CS..Hα-helixtrans-63.2-51.5175.9169.10000111.1Y106 L110 D125 D126 N127 H131 A132 L133 L145 F146 I149Y106-V129 HydrophobicContact CD2-CG1 4.44Å; L110-V129 HydrophobicContact CD1-CG1 4.24Å; D125-V129 PolarHBondContact O-N 3.1Å; D126-V129 PolarHBondContact O-N 3.45Å; N127-V129 VanDerWaalsContact C-N 3.28Å; N127-V129 PolarHBondContact O-N 3.17Å; V129-H131 VanDerWaalsContact C-N 3.33Å; V129-H131 PolarHBondContact O-N 3.21Å; V129-A132 PolarHBondContact O-N 2.97Å; V129-L133 HydrophobicContact CG1-CD1 3.89Å; V129-L133 VanDerWaalsContact O-CG 3.29Å; V129-L133 WeakPolarHBondContact O-CG 3.5Å; V129-L133 PolarHBondContact O-N 3.02Å; V129-L145 HydrophobicContact CG1-CD2 4.38Å; V129-F146 HydrophobicContact CG1-CD1 4.15Å; V129-F146 HydrophobicContact CG1-CE1 3.42Å; V129-F146 VanDerWaalsContact CG1-CE1 3.42Å; V129-F146 HydrophobicContact CG1-CZ 3.8Å; V129-I149 HydrophobicContact CG2-CD1 3.85Å
130L94.5Very high88.3Confident36 Ų3674.1 Ų74.119%0.18840%0.4CS..Hα-helixtrans-60-46.5179.4-177.660.3000111.2L103 Y106 D126 N127 A132 L133 E134L103-L130 HydrophobicContact CD2-CD1 4.22Å; Y106-L130 HydrophobicContact CD1-CD1 3.84Å; Y106-L130 HydrophobicContact CD2-CB 4.07Å; Y106-L130 HydrophobicContact CD2-CD1 4.34Å; Y106-L130 HydrophobicContact CE1-CD1 3.81Å; Y106-L130 HydrophobicContact CE1-CD2 3.97Å; Y106-L130 HydrophobicContact CE1-CG 4.32Å; Y106-L130 HydrophobicContact CE2-CB 3.66Å; Y106-L130 HydrophobicContact CE2-CD1 4.33Å; Y106-L130 HydrophobicContact CE2-CD2 4.36Å; Y106-L130 HydrophobicContact CE2-CG 4.33Å; Y106-L130 HydrophobicContact CG-CD1 4.12Å; D126-L130 PolarHBondContact O-N 3.34Å; N127-L130 PolarHBondContact O-N 3.38Å; L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 3.32Å; L130-L133 PolarHBondContact O-N 3.34Å; L130-L133 VanDerWaalsContact O-N 3.1Å; L130-E134 HydrophobicContact CD1-CG 4.04Å; L130-E134 HydrophobicContact CG-CG 4.31Å; L130-E134 WeakPolarHBondContact O-CG 3.31Å; L130-E134 PolarHBondContact O-N 3.45Å
131H93.4Very high88.3Confident116 Ų11668.7 Ų68.754%0.53738%0.375SS..Hα-helixtrans-59-44.1179.1-178.9-89.5000111.9N127 V129 L133 E134 Q135N127-H131 VanDerWaalsContact O-CB 3.3Å; N127-H131 WeakPolarHBondContact O-CB 3.48Å; N127-H131 PolarHBondContact O-N 3.02Å; V129-H131 VanDerWaalsContact C-N 3.33Å; V129-H131 PolarHBondContact O-N 3.21Å; H131-L133 VanDerWaalsContact C-N 3.3Å; H131-L133 PolarHBondContact O-N 2.95Å; H131-E134 PolarHBondContact O-N 2.91Å; H131-Q135 WeakPolarHBondContact O-CB 3.17Å; H131-Q135 WeakPolarHBondContact O-CG 3.14Å; H131-Q135 PolarHBondContact O-N 3.1Å
132A93.7Very high88.2Confident35 Ų3571.8 Ų71.829%0.28939%0.392SS..Hα-helixtrans-64.3-33.3176.700000112.9S128 V129 L130 L145S128-A132 WeakPolarHBondContact O-CB 3.33Å; S128-A132 PolarHBondContact O-N 3.44Å; V129-A132 PolarHBondContact O-N 2.97Å; L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 3.32Å; A132-L145 HydrophobicContact CB-CD1 3.57Å; A132-L145 HydrophobicContact CB-CD2 4.27Å
133L94Very high88.1Confident0 Ų074 Ų740%039%0.393CS..Hα-helixtrans-74.5-34.2176.2-68.1168.6000112.7F90 Q99 G102 L103 V129 L130 H131 S136 P141 L145 F146F90-L133 HydrophobicContact CE2-CD2 4.48Å; Q99-L133 WeakPolarHBondContact CG-O 3.27Å; Q99-L133 PolarHBondContact NE2-O 3.24Å; G102-L133 VanDerWaalsContact C-CD1 3.48Å; G102-L133 WeakPolarHBondContact O-CD1 3.22Å; L103-L133 HydrophobicContact CD2-CB 3.85Å; L103-L133 HydrophobicContact CD2-CD1 4.3Å; L103-L133 HydrophobicContact CG-CB 4.21Å; V129-L133 HydrophobicContact CG1-CD1 3.89Å; V129-L133 VanDerWaalsContact O-CG 3.29Å; V129-L133 WeakPolarHBondContact O-CG 3.5Å; V129-L133 PolarHBondContact O-N 3.02Å; L130-L133 PolarHBondContact O-N 3.34Å; L130-L133 VanDerWaalsContact O-N 3.1Å; H131-L133 VanDerWaalsContact C-N 3.3Å; H131-L133 PolarHBondContact O-N 2.95Å; L133-S136 PolarHBondContact O-OG 2.82Å; L133-P141 HydrophobicContact CD2-CB 4.26Å; L133-P141 HydrophobicContact CD2-CG 4.07Å; L133-L145 HydrophobicContact CD2-CD2 3.66Å; L133-L145 HydrophobicContact CG-CD2 3.79Å; L133-F146 HydrophobicContact CD1-CZ 4.28Å
134E91.4Very high88.1Confident112 Ų11270.8 Ų70.852%0.52337%0.373SS..Hα-helixtrans-80.2-33.9-179.5-71.1-178.1162.600112.6L130 H131 S136L130-E134 HydrophobicContact CD1-CG 4.04Å; L130-E134 HydrophobicContact CG-CG 4.31Å; L130-E134 WeakPolarHBondContact O-CG 3.31Å; L130-E134 PolarHBondContact O-N 3.45Å; H131-E134 PolarHBondContact O-N 2.91Å; E134-S136 VanDerWaalsContact C-N 3.33Å; E134-S136 PolarHBondContact O-N 2.84Å
135Q85.9Confident88.3Confident114 Ų11472 Ų7253%0.53338%0.379SS..SBendtrans-86.13-177.4-66-64.6-28.500114.6H131 N137H131-Q135 WeakPolarHBondContact O-CB 3.17Å; H131-Q135 WeakPolarHBondContact O-CG 3.14Å; H131-Q135 PolarHBondContact O-N 3.1Å; Q135-N137 PolarHBondContact O-N 2.68Å
136S75.5Confident88.6Confident11 Ų1168.6 Ų68.68%0.07736%0.361CS..  trans-73.44.4-171.170.70000115.3Q99 L133 E134 D138 A139Q99-S136 WeakPolarHBondContact CG-OG 3.47Å; Q99-S136 PolarHBondContact NE2-OG 2.85Å; Q99-S136 VanDerWaalsContact NE2-OG 3.09Å; L133-S136 PolarHBondContact O-OG 2.82Å; E134-S136 VanDerWaalsContact C-N 3.33Å; E134-S136 PolarHBondContact O-N 2.84Å; S136-D138 PolarHBondContact O-N 3.11Å; S136-D138 VanDerWaalsContact O-N 3.1Å; S136-A139 CarbonylContact C-O 3.6Å; S136-A139 VanDerWaalsContact CB-O 3.27Å; S136-A139 WeakPolarHBondContact CB-O 3.44Å; S136-A139 CarbonylContact O-C 3.59Å; S136-A139 PolarHBondContact O-N 3.44Å
137N71.7Confident88.8Confident129 Ų12976 Ų7669%0.6939%0.388SS*.THydrogen-bonded Turntrans10.7-98.7175.8-66.1-23.5000115.4Q135Q135-N137 PolarHBondContact O-N 2.68Å
138D68.9Low89Confident163 Ų16373.7 Ų73.787%0.87238%0.381SS*.THydrogen-bonded Turntrans-96.3-7.9178.9-66.1-40.4000113.9S136S136-D138 PolarHBondContact O-N 3.11Å; S136-D138 VanDerWaalsContact O-N 3.1Å
139A80Confident89.2Confident72 Ų7270.6 Ų70.660%0.59536%0.36SS*.SBendtrans-112.2108.4-177.400000110.1S136S136-A139 CarbonylContact C-O 3.6Å; S136-A139 VanDerWaalsContact CB-O 3.27Å; S136-A139 WeakPolarHBondContact CB-O 3.44Å; S136-A139 CarbonylContact O-C 3.59Å; S136-A139 PolarHBondContact O-N 3.44Å
140Y86.4Confident89.3Confident138 Ų13871.6 Ų71.654%0.54137%0.365SS..PPolyproline II helixtrans-54.2143.4-177.4-52.7-63.8000112.7P95P95-Y140 VanDerWaalsContact C-CD1 3.47Å; P95-Y140 HydrophobicContact CB-CD1 4.32Å; P95-Y140 HydrophobicContact CB-CD2 3.28Å; P95-Y140 HydrophobicContact CB-CE2 3.74Å; P95-Y140 HydrophobicContact CB-CG 3.59Å; P95-Y140 WeakPolarHBondContact O-CD1 3.44Å; P95-Y140 VanDerWaalsContact O-CG 3.31Å
141P91.2Very high89.4Confident7 Ų776.1 Ų76.15%0.04538%0.383CS..PPolyproline II helixtrans-51.3144.8175.6-27.634.8000112.7F90 R98 Q99 L133 K143 L145F90-P141 HydrophobicContact CE2-CB 4.39Å; F90-P141 HydrophobicContact CZ-CB 4Å; R98-P141 HydrophobicContact CB-CB 4.37Å; R98-P141 HydrophobicContact CB-CG 4.34Å; R98-P141 WeakPolarHBondContact CD-O 3.31Å; R98-P141 PolarHBondContact NH1-O 3.37Å; Q99-P141 HydrophobicContact CB-CG 4.04Å; Q99-P141 HydrophobicContact CG-CG 4.46Å; L133-P141 HydrophobicContact CD2-CB 4.26Å; L133-P141 HydrophobicContact CD2-CG 4.07Å; P141-K143 PolarHBondContact O-N 3.31Å; P141-L145 HydrophobicContact CB-CD2 4.45Å
142D91Very high89.5Confident103 Ų10372.3 Ų72.355%0.55137%0.366SS*.PPolyproline II helixtrans-60.6134.7175-164.1-40.8000109.4F90 E144 L145F90-D142 VanDerWaalsContact CE1-O 3.22Å; F90-D142 WeakPolarHBondContact CE1-O 3.44Å; F90-D142 WeakPolarHBondContact CZ-O 3.32Å; D142-E144 PolarHBondContact O-N 3.23Å; D142-E144 PolarHBondContact OD1-N 3.02Å; D142-L145 WeakPolarHBondContact O-CB 3.27Å; D142-L145 PolarHBondContact O-N 3.15Å; D142-L145 VanDerWaalsContact O-N 3.13Å
143K89.4Confident89.7Confident80 Ų8070.6 Ų70.635%0.34835%0.352SS..THydrogen-bonded Turntrans-62-24.1176.664.5178.1-174.4174.40112.5P141 L145P141-K143 PolarHBondContact O-N 3.31Å; K143-L145 VanDerWaalsContact C-N 3.35Å
144E92.7Very high89.8Confident81 Ų8173.6 Ų73.638%0.37937%0.366SS..THydrogen-bonded Turntrans-90.66.4178.9-57.1-61.5138.400113.1D142 F146 R147D142-E144 PolarHBondContact O-N 3.23Å; D142-E144 PolarHBondContact OD1-N 3.02Å; E144-F146 PolarHBondContact O-N 3.44Å; E144-F146 VanDerWaalsContact O-N 3.08Å; E144-R147 HydrophobicContact CB-CB 4.4Å; E144-R147 WeakPolarHBondContact O-CB 3.47Å; E144-R147 PolarHBondContact O-N 3.35Å; E144-R147 WeakPolarHBondContact OE2-CD 3.41Å; E144-R147 IonicContact OE2-NE 3.78Å; E144-R147 IonicContact OE2-NH1 3.85Å
145L95Very high90.1Very high35 Ų3571.6 Ų71.618%0.18336%0.359CS..THydrogen-bonded Turntrans-50.2-40-174.6177.461.5000113.5F90 V129 A132 L133 P141 D142 K143F90-L145 HydrophobicContact CE1-CB 4.07Å; F90-L145 HydrophobicContact CZ-CB 4.15Å; F90-L145 HydrophobicContact CZ-CD2 4.3Å; V129-L145 HydrophobicContact CG1-CD2 4.38Å; A132-L145 HydrophobicContact CB-CD1 3.57Å; A132-L145 HydrophobicContact CB-CD2 4.27Å; L133-L145 HydrophobicContact CD2-CD2 3.66Å; L133-L145 HydrophobicContact CG-CD2 3.79Å; P141-L145 HydrophobicContact CB-CD2 4.45Å; D142-L145 WeakPolarHBondContact O-CB 3.27Å; D142-L145 PolarHBondContact O-N 3.15Å; D142-L145 VanDerWaalsContact O-N 3.13Å; K143-L145 VanDerWaalsContact C-N 3.35Å
146F96.3Very high90.6Very high1 Ų168.4 Ų68.40%0.00434%0.343CS..THydrogen-bonded Turntrans-92.87.7-177.5-65.4-83.9000114I87 F90 I105 L110 V129 L133 E144 S148 I149 L150I87-F146 HydrophobicContact CB-CB 4.31Å; I87-F146 HydrophobicContact CD1-CB 3.98Å; I87-F146 HydrophobicContact CG1-CB 3.82Å; I87-F146 HydrophobicContact CG1-CD1 4.3Å; I87-F146 HydrophobicContact CG1-CG 4.06Å; I87-F146 HydrophobicContact CG2-CB 3.59Å; I87-F146 HydrophobicContact CG2-CG 4.42Å; F90-F146 AromaticContact CD1-CD2 3.66Å; F90-F146 HydrophobicContact CD1-CD2 3.66Å; F90-F146 AromaticContact CD1-CE2 3.97Å; F90-F146 HydrophobicContact CD1-CE2 3.97Å; F90-F146 HydrophobicContact CD2-CD2 4.47Å; F90-F146 AromaticContact CD2-CE2 3.95Å; F90-F146 HydrophobicContact CD2-CE2 3.95Å; F90-F146 AromaticContact CE1-CD2 3.77Å; F90-F146 HydrophobicContact CE1-CD2 3.77Å; F90-F146 AromaticContact CE1-CE2 3.99Å; F90-F146 HydrophobicContact CE1-CE2 3.99Å; F90-F146 AromaticContact CE2-CE2 3.95Å; F90-F146 HydrophobicContact CE2-CE2 3.95Å; F90-F146 HydrophobicContact CG-CD2 4.04Å; F90-F146 AromaticContact CG-CE2 3.95Å; F90-F146 HydrophobicContact CG-CE2 3.95Å; F90-F146 HydrophobicContact CZ-CD2 4.22Å; F90-F146 AromaticContact CZ-CE2 3.98Å; F90-F146 HydrophobicContact CZ-CE2 3.98Å; I105-F146 HydrophobicContact CB-CE1 4.46Å; I105-F146 HydrophobicContact CB-CZ 4.12Å; I105-F146 HydrophobicContact CD1-CE2 4.27Å; I105-F146 HydrophobicContact CD1-CZ 4.45Å; I105-F146 HydrophobicContact CG2-CD1 4.35Å; I105-F146 HydrophobicContact CG2-CE1 3.69Å; I105-F146 HydrophobicContact CG2-CZ 3.83Å; L110-F146 HydrophobicContact CD1-CE1 4.25Å; V129-F146 HydrophobicContact CG1-CD1 4.15Å; V129-F146 HydrophobicContact CG1-CE1 3.42Å; V129-F146 VanDerWaalsContact CG1-CE1 3.42Å; V129-F146 HydrophobicContact CG1-CZ 3.8Å; L133-F146 HydrophobicContact CD1-CZ 4.28Å; E144-F146 PolarHBondContact O-N 3.44Å; E144-F146 VanDerWaalsContact O-N 3.08Å; F146-S148 PolarHBondContact O-N 2.95Å; F146-I149 HydrophobicContact CD1-CD1 4.27Å; F146-I149 PolarHBondContact O-N 3.16Å; F146-I149 VanDerWaalsContact O-N 3.14Å; F146-L150 WeakPolarHBondContact O-CB 3.39Å; F146-L150 PolarHBondContact O-N 3.26Å
147R95Very high91.6Very high168 Ų16868.1 Ų68.163%0.63434%0.341SS*.Hα-helixtrans-60.5-39.2-170.2-173.8-178-173.1165.8-2.6113.8E144 K151E144-R147 HydrophobicContact CB-CB 4.4Å; E144-R147 WeakPolarHBondContact O-CB 3.47Å; E144-R147 PolarHBondContact O-N 3.35Å; E144-R147 WeakPolarHBondContact OE2-CD 3.41Å; E144-R147 IonicContact OE2-NE 3.78Å; E144-R147 IonicContact OE2-NH1 3.85Å; R147-K151 PolarHBondContact O-N 2.62Å; R147-K151 VanDerWaalsContact O-N 3.09Å
148S95.4Very high92.9Very high75 Ų7565.4 Ų65.452%0.52432%0.321SS..Hα-helixtrans-65-42.7177.253.80000111.6F146 K151 I152F146-S148 PolarHBondContact O-N 2.95Å; S148-K151 PolarHBondContact O-N 2.9Å; S148-I152 PolarHBondContact O-N 2.9Å
149I97Very high94.2Very high1 Ų162.8 Ų62.81%0.00531%0.307CS..Hα-helixtrans-65.7-47.1176.8-56.9-176.4000110F83 I87 L110 I124 V129 F146 K151 I152 L153F83-I149 HydrophobicContact CE1-CG2 3.84Å; F83-I149 HydrophobicContact CZ-CG2 3.73Å; I87-I149 HydrophobicContact CD1-CG2 4.27Å; L110-I149 HydrophobicContact CD1-CD1 3.86Å; I124-I149 HydrophobicContact CG2-CB 4.48Å; I124-I149 HydrophobicContact CG2-CD1 3.52Å; I124-I149 HydrophobicContact CG2-CG1 3.71Å; I124-I149 HydrophobicContact CG2-CG2 4.08Å; V129-I149 HydrophobicContact CG2-CD1 3.85Å; F146-I149 HydrophobicContact CD1-CD1 4.27Å; F146-I149 PolarHBondContact O-N 3.16Å; F146-I149 VanDerWaalsContact O-N 3.14Å; I149-K151 VanDerWaalsContact C-N 3.25Å; I149-K151 PolarHBondContact O-N 2.8Å; I149-I152 PolarHBondContact O-N 2.54Å; I149-L153 HydrophobicContact CG2-CD1 4.07Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CG 3.41Å; I149-L153 PolarHBondContact O-N 3.34Å
150L96.5Very high94.9Very high27 Ų2762.3 Ų62.314%0.14130%0.3CS..Hα-helixtrans-52.5-46177.1-179.261000111.3V84 I87 F146 I152 L153 E154V84-L150 HydrophobicContact CB-CD1 4.36Å; V84-L150 HydrophobicContact CG1-CD1 3.9Å; V84-L150 HydrophobicContact CG2-CD1 4.17Å; I87-L150 HydrophobicContact CD1-CB 4.33Å; I87-L150 HydrophobicContact CG2-CB 4.18Å; I87-L150 HydrophobicContact CG2-CD1 4.28Å; I87-L150 HydrophobicContact CG2-CD2 4.2Å; I87-L150 HydrophobicContact CG2-CG 4.46Å; F146-L150 WeakPolarHBondContact O-CB 3.39Å; F146-L150 PolarHBondContact O-N 3.26Å; L150-I152 PolarHBondContact O-N 3Å; L150-L153 PolarHBondContact O-N 2.96Å; L150-E154 HydrophobicContact CD1-CG 4.12Å; L150-E154 HydrophobicContact CG-CG 4.35Å; L150-E154 WeakPolarHBondContact O-CB 3.19Å; L150-E154 WeakPolarHBondContact O-CG 3.45Å; L150-E154 PolarHBondContact O-N 3.33Å
151K96.3Very high95.4Very high130 Ų13055.8 Ų55.857%0.56527%0.274SS*.Hα-helixtrans-58.8-44.4177.7-174.1177.4179.7-1790112.7R147 S148 I149 L153 E154 D155R147-K151 PolarHBondContact O-N 2.62Å; R147-K151 VanDerWaalsContact O-N 3.09Å; S148-K151 PolarHBondContact O-N 2.9Å; I149-K151 VanDerWaalsContact C-N 3.25Å; I149-K151 PolarHBondContact O-N 2.8Å; K151-L153 VanDerWaalsContact C-N 3.33Å; K151-L153 PolarHBondContact O-N 3.38Å; K151-E154 PolarHBondContact O-N 2.88Å; K151-D155 WeakPolarHBondContact O-CB 3.42Å; K151-D155 VanDerWaalsContact O-CG 3.26Å; K151-D155 PolarHBondContact O-N 3.47Å
152I97.2Very high95.7Very high36 Ų3656.1 Ų56.119%0.18528%0.275CS..Hα-helixtrans-61.4-43.4177.8-66.2168.1000110.7L121 N123 I124 S148 I149 L150 F156L121-I152 HydrophobicContact CB-CG2 3.97Å; N123-I152 WeakPolarHBondContact O-CD1 3.45Å; I124-I152 HydrophobicContact CG1-CD1 4.41Å; S148-I152 PolarHBondContact O-N 2.9Å; I149-I152 PolarHBondContact O-N 2.54Å; L150-I152 PolarHBondContact O-N 3Å; I152-F156 PolarHBondContact O-N 3.01Å
153L96.9Very high96.1Very high0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-66.6-43.3179.7-59.3173.8000111.7V80 F83 V84 I87 L121 I149 L150 K151 F156 L157V80-L153 HydrophobicContact CG1-CB 4.07Å; V80-L153 HydrophobicContact CG1-CD2 4.07Å; F83-L153 HydrophobicContact CB-CD1 4.09Å; F83-L153 HydrophobicContact CD1-CD1 3.46Å; F83-L153 VanDerWaalsContact CD1-CD1 3.46Å; F83-L153 HydrophobicContact CD1-CD2 4.06Å; F83-L153 HydrophobicContact CD1-CG 4.39Å; F83-L153 HydrophobicContact CD2-CD1 4.34Å; F83-L153 HydrophobicContact CE1-CD1 3.89Å; F83-L153 HydrophobicContact CE1-CD2 4.47Å; F83-L153 HydrophobicContact CG-CD1 3.71Å; F83-L153 HydrophobicContact CZ-CD1 4.47Å; V84-L153 HydrophobicContact CG2-CB 3.65Å; V84-L153 HydrophobicContact CG2-CD1 3.98Å; V84-L153 HydrophobicContact CG2-CG 4.48Å; I87-L153 HydrophobicContact CD1-CD1 3.91Å; L121-L153 HydrophobicContact CD1-CD2 3.85Å; I149-L153 HydrophobicContact CG2-CD1 4.07Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CG 3.41Å; I149-L153 PolarHBondContact O-N 3.34Å; L150-L153 PolarHBondContact O-N 2.96Å; K151-L153 VanDerWaalsContact C-N 3.33Å; K151-L153 PolarHBondContact O-N 3.38Å; L153-F156 PolarHBondContact O-N 2.88Å; L153-L157 WeakPolarHBondContact O-CG 3.5Å; L153-L157 PolarHBondContact O-N 3.38Å
154E96.6Very high96.5Very high62 Ų6254.7 Ų54.729%0.2927%0.274SS..Hα-helixtrans-65.3-42.1176.7-72.7179.7159.900111.9L150 K151 F156 L157 R158L150-E154 HydrophobicContact CD1-CG 4.12Å; L150-E154 HydrophobicContact CG-CG 4.35Å; L150-E154 WeakPolarHBondContact O-CB 3.19Å; L150-E154 WeakPolarHBondContact O-CG 3.45Å; L150-E154 PolarHBondContact O-N 3.33Å; K151-E154 PolarHBondContact O-N 2.88Å; E154-F156 VanDerWaalsContact C-N 3.31Å; E154-F156 PolarHBondContact O-N 3.08Å; E154-L157 PolarHBondContact O-N 2.96Å; E154-R158 VanDerWaalsContact O-CB 3.24Å; E154-R158 WeakPolarHBondContact O-CB 3.43Å; E154-R158 PolarHBondContact O-N 3.43Å
155D96.6Very high96.7Very high70 Ų7050.9 Ų50.937%0.37426%0.256SS..Hα-helixtrans-62.2-39.3175.2-76.3-21000111K151 N159K151-D155 WeakPolarHBondContact O-CB 3.42Å; K151-D155 VanDerWaalsContact O-CG 3.26Å; K151-D155 PolarHBondContact O-N 3.47Å; D155-N159 PolarHBondContact O-N 3.27Å; D155-N159 PolarHBondContact O-ND2 3.46Å
156F97.1Very high96.9Very high47 Ų4751 Ų5121%0.20626%0.256CS..Hα-helixtrans-60.3-52.6172.4169.2-104.2000111.4F76 I77 V80 L121 I152 L153 E154 R158 N159 P161F76-F156 HydrophobicContact CD1-CZ 4.22Å; F76-F156 HydrophobicContact CE1-CE1 4.15Å; F76-F156 HydrophobicContact CE1-CE2 4.48Å; F76-F156 AromaticContact CE1-CZ 3.86Å; F76-F156 HydrophobicContact CE1-CZ 3.86Å; I77-F156 HydrophobicContact CG1-CE1 4.36Å; I77-F156 HydrophobicContact CG1-CZ 4.36Å; V80-F156 HydrophobicContact CG1-CD1 4.07Å; V80-F156 HydrophobicContact CG2-CD1 4.16Å; V80-F156 HydrophobicContact CG2-CE1 4.06Å; L121-F156 HydrophobicContact CD1-CB 4.39Å; L121-F156 HydrophobicContact CD1-CD1 4.31Å; L121-F156 HydrophobicContact CD1-CG 4.25Å; L121-F156 HydrophobicContact CD2-CB 4.27Å; L121-F156 HydrophobicContact CD2-CD1 4.28Å; L121-F156 HydrophobicContact CD2-CD2 3.45Å; L121-F156 VanDerWaalsContact CD2-CD2 3.45Å; L121-F156 HydrophobicContact CD2-CE2 3.76Å; L121-F156 HydrophobicContact CD2-CG 3.73Å; L121-F156 HydrophobicContact CD2-CZ 4.29Å; I152-F156 PolarHBondContact O-N 3.01Å; L153-F156 PolarHBondContact O-N 2.88Å; E154-F156 VanDerWaalsContact C-N 3.31Å; E154-F156 PolarHBondContact O-N 3.08Å; F156-R158 VanDerWaalsContact C-N 3.28Å; F156-R158 PolarHBondContact O-N 3.26Å; F156-N159 PolarHBondContact O-N 3.19Å; F156-N159 VanDerWaalsContact O-N 3.16Å; F156-P161 HydrophobicContact CD1-CG 4.09Å; F156-P161 HydrophobicContact CE1-CG 3.6Å; F156-P161 HydrophobicContact CE2-CG 4.18Å; F156-P161 HydrophobicContact CZ-CG 3.65Å; F156-P161 WeakPolarHBondContact O-CD 3.47Å
157L97.6Very high96.9Very high6 Ų657.5 Ų57.53%0.03129%0.291CS..Hα-helixtrans-59.3-37.5-178.5-70.7174.3000112.9Y53 F67 I77 V80 V81 V84 L153 E154 N159 P161 F162Y53-L157 HydrophobicContact CE2-CB 4.42Å; F67-L157 HydrophobicContact CE1-CB 4.4Å; F67-L157 HydrophobicContact CE1-CD2 4.42Å; F67-L157 HydrophobicContact CZ-CB 4.42Å; F67-L157 HydrophobicContact CZ-CD2 4.44Å; I77-L157 HydrophobicContact CG2-CD2 3.88Å; V80-L157 HydrophobicContact CG1-CD1 4.17Å; V80-L157 HydrophobicContact CG1-CD2 4.03Å; V80-L157 HydrophobicContact CG1-CG 3.95Å; V81-L157 HydrophobicContact CG2-CD1 4.26Å; V81-L157 HydrophobicContact CG2-CD2 4.05Å; V84-L157 HydrophobicContact CG2-CD1 4.24Å; L153-L157 WeakPolarHBondContact O-CG 3.5Å; L153-L157 PolarHBondContact O-N 3.38Å; E154-L157 PolarHBondContact O-N 2.96Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 3.07Å; L157-P161 HydrophobicContact CD2-CG 4.5Å; L157-F162 WeakPolarHBondContact O-CB 3.47Å; L157-F162 PolarHBondContact O-N 2.81Å
158R97.7Very high96.9Very high71 Ų7150.4 Ų50.427%0.26827%0.267SS..Hα-helixtrans-66.5-23.3179.6-178.4-179.9-65.9-84.5-0.2114.2Y53 D54 E154 F156 F162Y53-R158 HydrophobicContact CD1-CB 4.19Å; Y53-R158 HydrophobicContact CD1-CG 4.07Å; Y53-R158 VanDerWaalsContact CD1-CZ 3.46Å; Y53-R158 HydrophobicContact CD2-CB 4.26Å; Y53-R158 HydrophobicContact CG-CB 4.06Å; Y53-R158 HydrophobicContact CG-CG 3.91Å; D54-R158 IonicContact OD1-CZ 3.96Å; D54-R158 IonicContact OD1-NH1 2.77Å; D54-R158 PolarHBondContact OD1-NH1 3.48Å; D54-R158 IonicContact OD1-NH2 3.99Å; D54-R158 PolarHBondContact OD1-NH2 3.08Å; D54-R158 IonicContact OD2-CZ 2.69Å; D54-R158 IonicContact OD2-NH1 2.74Å; D54-R158 PolarHBondContact OD2-NH1 2.59Å; E154-R158 VanDerWaalsContact O-CB 3.24Å; E154-R158 WeakPolarHBondContact O-CB 3.43Å; E154-R158 PolarHBondContact O-N 3.43Å; F156-R158 VanDerWaalsContact C-N 3.28Å; F156-R158 PolarHBondContact O-N 3.26Å; R158-F162 WeakPolarHBondContact O-CB 3.35Å
159N96.5Very high97Very high108 Ų10848.5 Ų48.558%0.57825%0.252SS*.THydrogen-bonded Turntrans-99.1-102.4-174.7-71.6-52.8000112D155 F156 L157 F162 S163D155-N159 PolarHBondContact O-N 3.27Å; D155-N159 PolarHBondContact O-ND2 3.46Å; F156-N159 PolarHBondContact O-N 3.19Å; F156-N159 VanDerWaalsContact O-N 3.16Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 3.07Å; N159-F162 PolarHBondContact O-N 3.11Å; N159-S163 PolarHBondContact O-N 3.02Å
160S93.9Very high97Very high63 Ų6350.2 Ų50.244%0.44126%0.259SS..Hα-helixtrans-58.3-51.3-171.8-163.10000113F162 S163 E164S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 2.97Å; S160-S163 PolarHBondContact O-N 3.09Å; S160-S163 VanDerWaalsContact O-N 3.17Å; S160-E164 WeakPolarHBondContact O-CG 3.49Å; S160-E164 PolarHBondContact O-N 3.3Å; S160-E164 PolarHBondContact OG-OE1 3.4Å
161P97.6Very high97.1Very high1 Ų149.1 Ų49.11%0.00625%0.253CS..Hα-helixtrans-58.9-39.1179.8-26.339.3000112.9F67 F70 I77 F156 L157 E164 F165F67-P161 HydrophobicContact CE2-CB 4.44Å; F67-P161 HydrophobicContact CZ-CB 4.18Å; F70-P161 HydrophobicContact CE1-CB 4.44Å; F70-P161 WeakPolarHBondContact CE1-O 3.46Å; I77-P161 HydrophobicContact CD1-CB 4.08Å; I77-P161 HydrophobicContact CD1-CG 4.12Å; I77-P161 HydrophobicContact CG1-CG 4.4Å; I77-P161 HydrophobicContact CG2-CB 4.12Å; I77-P161 HydrophobicContact CG2-CG 4.3Å; F156-P161 HydrophobicContact CD1-CG 4.09Å; F156-P161 HydrophobicContact CE1-CG 3.6Å; F156-P161 HydrophobicContact CE2-CG 4.18Å; F156-P161 HydrophobicContact CZ-CG 3.65Å; F156-P161 WeakPolarHBondContact O-CD 3.47Å; L157-P161 HydrophobicContact CD2-CG 4.5Å; P161-E164 PolarHBondContact O-N 2.89Å; P161-F165 WeakPolarHBondContact O-CB 3.21Å; P161-F165 PolarHBondContact O-N 2.87Å
162F98.4Very high97.1Very high14 Ų1444.5 Ų44.56%0.06124%0.235CC..Hα-helixtrans-68.3-40.7177.7-176.9-115.8000112.9L51 S52 Y53 I56 V57 F67 L157 R158 N159 S160 E164 F165 L166L51-F162 VanDerWaalsContact O-CE1 3.28Å; L51-F162 WeakPolarHBondContact O-CE1 3.48Å; L51-F162 WeakPolarHBondContact O-CZ 3.44Å; S52-F162 VanDerWaalsContact C-CZ 3.47Å; Y53-F162 HydrophobicContact CD2-CB 3.9Å; Y53-F162 HydrophobicContact CD2-CD1 4.42Å; Y53-F162 AromaticContact CD2-CD2 3.73Å; Y53-F162 HydrophobicContact CD2-CD2 3.73Å; Y53-F162 HydrophobicContact CD2-CE2 4.38Å; Y53-F162 AromaticContact CD2-CG 3.75Å; Y53-F162 HydrophobicContact CD2-CG 3.75Å; Y53-F162 HydrophobicContact CG-CD2 4.5Å; Y53-F162 HydrophobicContact CG-CG 4.42Å; Y53-F162 VanDerWaalsContact N-CE1 3.31Å; I56-F162 HydrophobicContact CB-CE2 4.32Å; I56-F162 HydrophobicContact CB-CZ 4.46Å; I56-F162 HydrophobicContact CD1-CZ 4.21Å; V57-F162 HydrophobicContact CG2-CD2 3.81Å; V57-F162 HydrophobicContact CG2-CE2 3.72Å; F67-F162 HydrophobicContact CD2-CD2 4.45Å; F67-F162 HydrophobicContact CE2-CB 4.33Å; F67-F162 HydrophobicContact CE2-CD2 4.33Å; L157-F162 WeakPolarHBondContact O-CB 3.47Å; L157-F162 PolarHBondContact O-N 2.81Å; R158-F162 WeakPolarHBondContact O-CB 3.35Å; N159-F162 PolarHBondContact O-N 3.11Å; S160-F162 VanDerWaalsContact C-N 3.29Å; S160-F162 PolarHBondContact O-N 2.97Å; F162-E164 VanDerWaalsContact C-N 3.32Å; F162-E164 PolarHBondContact O-N 2.81Å; F162-F165 AromaticContact CD2-CD1 3.98Å; F162-F165 HydrophobicContact CD2-CD1 3.98Å; F162-F165 AromaticContact CE2-CD1 3.93Å; F162-F165 HydrophobicContact CE2-CD1 3.93Å; F162-F165 HydrophobicContact CE2-CE1 4.3Å; F162-F165 WeakPolarHBondContact O-CB 3.09Å; F162-F165 PolarHBondContact O-N 3.29Å; F162-L166 HydrophobicContact CD1-CD1 4.29Å; F162-L166 HydrophobicContact CE1-CD1 3.77Å; F162-L166 HydrophobicContact CE1-CD2 4.44Å; F162-L166 HydrophobicContact CE1-CG 4.16Å; F162-L166 HydrophobicContact CE2-CD2 4.14Å; F162-L166 HydrophobicContact CE2-CG 4.32Å; F162-L166 HydrophobicContact CZ-CD1 4.04Å; F162-L166 HydrophobicContact CZ-CD2 3.86Å; F162-L166 HydrophobicContact CZ-CG 4.03Å; F162-L166 WeakPolarHBondContact O-CG 3.43Å; F162-L166 PolarHBondContact O-N 2.87Å
163S97.8Very high97.2Very high66 Ų6642.9 Ų42.946%0.46223%0.226SC..Hα-helixtrans-60.7-42.2174.3-173.70000111.8N159 S160 L166 N167N159-S163 PolarHBondContact O-N 3.02Å; S160-S163 PolarHBondContact O-N 3.09Å; S160-S163 VanDerWaalsContact O-N 3.17Å; S163-L166 PolarHBondContact O-N 3.37Å; S163-N167 PolarHBondContact O-N 3.28Å; S163-N167 PolarHBondContact O-ND2 3.49Å
164E97.9Very high97.2Very high87 Ų8742.9 Ų42.941%0.40723%0.226SC..Hα-helixtrans-64.4-41.4174.5-69.9169-138.100111.7F70 S160 P161 F162 L166 N167 S168F70-E164 HydrophobicContact CE1-CB 4.46Å; F70-E164 HydrophobicContact CE2-CB 4.3Å; F70-E164 HydrophobicContact CZ-CB 3.61Å; S160-E164 WeakPolarHBondContact O-CG 3.49Å; S160-E164 PolarHBondContact O-N 3.3Å; S160-E164 PolarHBondContact OG-OE1 3.4Å; P161-E164 PolarHBondContact O-N 2.89Å; F162-E164 VanDerWaalsContact C-N 3.32Å; F162-E164 PolarHBondContact O-N 2.81Å; E164-L166 PolarHBondContact O-N 3.04Å; E164-N167 PolarHBondContact O-N 3.15Å; E164-N167 VanDerWaalsContact O-N 3.13Å; E164-S168 PolarHBondContact O-N 3.42Å
165F98.3Very high97.3Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-57.3-45.4174.8166.1-101.5000112.2I56 L66 F67 F70 P161 F162 N167 S168 F171I56-F165 HydrophobicContact CG2-CE1 4.05Å; L66-F165 HydrophobicContact CB-CE2 4.23Å; L66-F165 HydrophobicContact CB-CZ 4.46Å; F67-F165 HydrophobicContact CB-CD2 4.41Å; F67-F165 HydrophobicContact CB-CE2 4.28Å; F67-F165 HydrophobicContact CB-CZ 4.48Å; F67-F165 HydrophobicContact CD2-CB 3.71Å; F67-F165 HydrophobicContact CD2-CD1 4.07Å; F67-F165 AromaticContact CD2-CD2 3.93Å; F67-F165 HydrophobicContact CD2-CD2 3.93Å; F67-F165 AromaticContact CD2-CG 3.63Å; F67-F165 HydrophobicContact CD2-CG 3.63Å; F67-F165 HydrophobicContact CE2-CB 3.9Å; F67-F165 HydrophobicContact CE2-CG 4.32Å; F70-F165 HydrophobicContact CB-CD2 3.82Å; F70-F165 HydrophobicContact CD1-CB 3.8Å; F70-F165 HydrophobicContact CD1-CD2 4.31Å; F70-F165 HydrophobicContact CE1-CB 3.97Å; F70-F165 HydrophobicContact CG-CB 4.11Å; F70-F165 HydrophobicContact CG-CD2 4.01Å; F70-F165 HydrophobicContact CZ-CB 4.42Å; P161-F165 WeakPolarHBondContact O-CB 3.21Å; P161-F165 PolarHBondContact O-N 2.87Å; F162-F165 AromaticContact CD2-CD1 3.98Å; F162-F165 HydrophobicContact CD2-CD1 3.98Å; F162-F165 AromaticContact CE2-CD1 3.93Å; F162-F165 HydrophobicContact CE2-CD1 3.93Å; F162-F165 HydrophobicContact CE2-CE1 4.3Å; F162-F165 WeakPolarHBondContact O-CB 3.09Å; F162-F165 PolarHBondContact O-N 3.29Å; F165-N167 PolarHBondContact O-N 3.13Å; F165-N167 VanDerWaalsContact O-N 3.15Å; F165-S168 VanDerWaalsContact O-CB 3.31Å; F165-S168 WeakPolarHBondContact O-CB 3.46Å; F165-S168 PolarHBondContact O-N 3.01Å; F165-S168 PolarHBondContact O-OG 3.45Å; F165-F171 HydrophobicContact CD1-CB 4.45Å; F165-F171 HydrophobicContact CE1-CB 4.13Å; F165-F171 AromaticContact CE1-CD2 3.8Å; F165-F171 HydrophobicContact CE1-CD2 3.8Å; F165-F171 HydrophobicContact CE1-CG 4.39Å; F165-F171 HydrophobicContact CE2-CB 4.42Å; F165-F171 HydrophobicContact CZ-CB 4.13Å; F165-F171 HydrophobicContact CZ-CD2 4.2Å; F165-F171 WeakPolarHBondContact O-CB 3.41Å
166L97.8Very high97.4Very high37 Ų3736.7 Ų36.719%0.19420%0.195CC..Hα-helixtrans-61.3-22.9179.4-69.2-179.6000113.4I56 F162 S163 E164 F171I56-L166 HydrophobicContact CD1-CD2 4.08Å; F162-L166 HydrophobicContact CD1-CD1 4.29Å; F162-L166 HydrophobicContact CE1-CD1 3.77Å; F162-L166 HydrophobicContact CE1-CD2 4.44Å; F162-L166 HydrophobicContact CE1-CG 4.16Å; F162-L166 HydrophobicContact CE2-CD2 4.14Å; F162-L166 HydrophobicContact CE2-CG 4.32Å; F162-L166 HydrophobicContact CZ-CD1 4.04Å; F162-L166 HydrophobicContact CZ-CD2 3.86Å; F162-L166 HydrophobicContact CZ-CG 4.03Å; F162-L166 WeakPolarHBondContact O-CG 3.43Å; F162-L166 PolarHBondContact O-N 2.87Å; S163-L166 PolarHBondContact O-N 3.37Å; E164-L166 PolarHBondContact O-N 3.04Å; L166-F171 HydrophobicContact CD2-CD1 4.39Å; L166-F171 HydrophobicContact CD2-CD2 3.74Å; L166-F171 HydrophobicContact CD2-CE1 4.3Å; L166-F171 HydrophobicContact CD2-CE2 3.65Å; L166-F171 HydrophobicContact CD2-CG 4.12Å; L166-F171 HydrophobicContact CD2-CZ 3.95Å; L166-F171 WeakPolarHBondContact O-CD1 3.39Å
167N96.3Very high97.5Very high138 Ų13834.5 Ų34.574%0.73819%0.186SC*.THydrogen-bonded Turntrans-96.82.5176.5-67.1-65.5000113.3S163 E164 F165S163-N167 PolarHBondContact O-N 3.28Å; S163-N167 PolarHBondContact O-ND2 3.49Å; E164-N167 PolarHBondContact O-N 3.15Å; E164-N167 VanDerWaalsContact O-N 3.13Å; F165-N167 PolarHBondContact O-N 3.13Å; F165-N167 VanDerWaalsContact O-N 3.15Å
168S96.4Very high97.5Very high19 Ų1934.4 Ų34.413%0.13319%0.185CC..SBendtrans-95.9165.5-17579.80000113.8E164 F165 Y170 F171 N172E164-S168 PolarHBondContact O-N 3.42Å; F165-S168 VanDerWaalsContact O-CB 3.31Å; F165-S168 WeakPolarHBondContact O-CB 3.46Å; F165-S168 PolarHBondContact O-N 3.01Å; F165-S168 PolarHBondContact O-OG 3.45Å; S168-Y170 PolarHBondContact O-N 3.39Å; S168-Y170 WeakPolarHBondContact OG-CB 3.3Å; S168-Y170 PolarHBondContact OG-N 2.88Å; S168-F171 PolarHBondContact O-N 3.21Å; S168-F171 PolarHBondContact OG-N 2.97Å; S168-N172 PolarHBondContact O-N 3.47Å
169V96.3Very high97.5Very high35 Ų3534.7 Ų34.721%0.21219%0.186CC..Hα-helixtrans-62.4-25171.1-63.50000112.9N172 R173 F532 L539V169-N172 WeakPolarHBondContact O-CB 3.46Å; V169-N172 PolarHBondContact O-N 3.24Å; V169-R173 PolarHBondContact O-N 3.45Å; V169-F532 HydrophobicContact CB-CD1 4.41Å; V169-F532 HydrophobicContact CG2-CD1 4.04Å; V169-F532 HydrophobicContact CG2-CE1 4.34Å; V169-L539 HydrophobicContact CG1-CD1 4.22Å; V169-L539 HydrophobicContact CG1-CD2 4.16Å
170Y97.7Very high97.6Very high38 Ų3829.8 Ų29.815%0.14916%0.159CC..Hα-helixtrans-66.1-38.5176.5-59.9-87.1000111.6L69 F70 S168 R173 Y174 F532L69-Y170 HydrophobicContact CB-CD1 4.02Å; L69-Y170 HydrophobicContact CB-CE1 3.85Å; F70-Y170 HydrophobicContact CB-CD1 4.42Å; F70-Y170 HydrophobicContact CB-CD2 3.68Å; F70-Y170 HydrophobicContact CB-CE2 4.14Å; F70-Y170 HydrophobicContact CB-CG 3.84Å; F70-Y170 AromaticContact CD2-CD2 3.87Å; F70-Y170 HydrophobicContact CD2-CD2 3.87Å; F70-Y170 HydrophobicContact CD2-CE2 4.21Å; F70-Y170 HydrophobicContact CG-CD2 4.28Å; S168-Y170 PolarHBondContact O-N 3.39Å; S168-Y170 WeakPolarHBondContact OG-CB 3.3Å; S168-Y170 PolarHBondContact OG-N 2.88Å; Y170-R173 PolarHBondContact O-N 3Å; Y170-Y174 PolarHBondContact O-N 3Å; Y170-F532 AromaticContact CD1-CE1 3.87Å; Y170-F532 HydrophobicContact CD1-CE1 3.87Å; Y170-F532 HydrophobicContact CD1-CE2 4.03Å; Y170-F532 AromaticContact CD1-CZ 3.47Å; Y170-F532 HydrophobicContact CD1-CZ 3.47Å; Y170-F532 VanDerWaalsContact CD1-CZ 3.47Å; Y170-F532 HydrophobicContact CE1-CE1 4.34Å; Y170-F532 HydrophobicContact CE1-CE2 4.08Å; Y170-F532 AromaticContact CE1-CZ 3.95Å; Y170-F532 HydrophobicContact CE1-CZ 3.95Å; Y170-F532 HydrophobicContact CG-CE1 4.28Å; Y170-F532 HydrophobicContact CG-CZ 4.26Å
171F97.9Very high97.8Very high3 Ų327.3 Ų27.31%0.01314%0.141CC..Hα-helixtrans-71-37173.7-179.2-112.7000112K46 L51 I56 F165 L166 S168 R173 Y174 L175K46-F171 HydrophobicContact CD-CE1 4.31Å; K46-F171 HydrophobicContact CG-CE1 4.2Å; L51-F171 HydrophobicContact CD2-CE2 4.29Å; L51-F171 HydrophobicContact CD2-CZ 3.74Å; I56-F171 HydrophobicContact CD1-CE2 3.82Å; F165-F171 HydrophobicContact CD1-CB 4.45Å; F165-F171 HydrophobicContact CE1-CB 4.13Å; F165-F171 AromaticContact CE1-CD2 3.8Å; F165-F171 HydrophobicContact CE1-CD2 3.8Å; F165-F171 HydrophobicContact CE1-CG 4.39Å; F165-F171 HydrophobicContact CE2-CB 4.42Å; F165-F171 HydrophobicContact CZ-CB 4.13Å; F165-F171 HydrophobicContact CZ-CD2 4.2Å; F165-F171 WeakPolarHBondContact O-CB 3.41Å; L166-F171 HydrophobicContact CD2-CD1 4.39Å; L166-F171 HydrophobicContact CD2-CD2 3.74Å; L166-F171 HydrophobicContact CD2-CE1 4.3Å; L166-F171 HydrophobicContact CD2-CE2 3.65Å; L166-F171 HydrophobicContact CD2-CG 4.12Å; L166-F171 HydrophobicContact CD2-CZ 3.95Å; L166-F171 WeakPolarHBondContact O-CD1 3.39Å; S168-F171 PolarHBondContact O-N 3.21Å; S168-F171 PolarHBondContact OG-N 2.97Å; F171-R173 VanDerWaalsContact C-N 3.27Å; F171-R173 PolarHBondContact O-N 3.17Å; F171-Y174 AromaticContact CD2-CD1 3.83Å; F171-Y174 HydrophobicContact CD2-CD1 3.83Å; F171-Y174 AromaticContact CE2-CD1 3.64Å; F171-Y174 HydrophobicContact CE2-CD1 3.64Å; F171-Y174 HydrophobicContact CE2-CE1 4.17Å; F171-Y174 WeakPolarHBondContact O-CA 3.36Å; F171-Y174 WeakPolarHBondContact O-CB 3.11Å; F171-Y174 PolarHBondContact O-N 3.49Å; F171-Y174 VanDerWaalsContact O-N 3.08Å; F171-L175 HydrophobicContact CD1-CD1 4.35Å; F171-L175 HydrophobicContact CE1-CD1 3.96Å; F171-L175 HydrophobicContact CE1-CD2 4.23Å; F171-L175 HydrophobicContact CE1-CG 4.17Å; F171-L175 HydrophobicContact CE2-CD2 4.24Å; F171-L175 HydrophobicContact CZ-CD1 4.39Å; F171-L175 HydrophobicContact CZ-CD2 3.8Å; F171-L175 HydrophobicContact CZ-CG 4.18Å; F171-L175 WeakPolarHBondContact O-CG 3.45Å; F171-L175 PolarHBondContact O-N 3.28Å
172N97.5Very high97.7Very high34 Ų3432.7 Ų32.718%0.18216%0.164CC..Hα-helixtrans-58.2-41.6171.3-73.8-16.8000111.8I39 S168 V169 L175 Q176 L543I39-N172 HydrophobicContact CD1-CB 3.58Å; I39-N172 VanDerWaalsContact CD1-O 3.31Å; I39-N172 WeakPolarHBondContact CD1-O 3.3Å; I39-N172 HydrophobicContact CG1-CB 4.04Å; S168-N172 PolarHBondContact O-N 3.47Å; V169-N172 WeakPolarHBondContact O-CB 3.46Å; V169-N172 PolarHBondContact O-N 3.24Å; N172-L175 WeakPolarHBondContact O-CB 2.91Å; N172-L175 PolarHBondContact O-N 2.89Å; N172-Q176 PolarHBondContact O-N 3.37Å; N172-L543 HydrophobicContact CB-CD2 3.91Å
173R98.1Very high97.6Very high1 Ų134.6 Ų34.60%0.00418%0.177CC..Hα-helixtrans-65-38.8172.9178.249.160.593.4-5.9112.3L66 V169 Y170 F171 L175 Q176 W177 L529 N530 E531 F532 N542 L543L66-R173 HydrophobicContact CD1-CG 4.43Å; L66-R173 HydrophobicContact CD2-CB 4.45Å; L66-R173 HydrophobicContact CD2-CG 3.97Å; V169-R173 PolarHBondContact O-N 3.45Å; Y170-R173 PolarHBondContact O-N 3Å; F171-R173 VanDerWaalsContact C-N 3.27Å; F171-R173 PolarHBondContact O-N 3.17Å; R173-L175 VanDerWaalsContact C-N 3.28Å; R173-L175 PolarHBondContact O-N 3.28Å; R173-Q176 PolarHBondContact O-N 2.92Å; R173-Q176 VanDerWaalsContact O-N 3.16Å; R173-W177 VanDerWaalsContact O-CD1 3.3Å; R173-W177 PolarHBondContact O-N 3.23Å; R173-L529 PolarHBondContact NH1-O 2.97Å; R173-N530 VanDerWaalsContact CD-OD1 3.31Å; R173-N530 WeakPolarHBondContact CD-OD1 3.37Å; R173-N530 WeakPolarHBondContact CG-OD1 3.26Å; R173-N530 VanDerWaalsContact NH1-C 3.27Å; R173-N530 VanDerWaalsContact NH1-CA 3.3Å; R173-N530 PolarHBondContact NH1-OD1 2.69Å; R173-E531 PolarHBondContact NH1-O 3.03Å; R173-E531 PolarHBondContact NH2-O 3.13Å; R173-F532 HydrophobicContact CB-CE1 3.53Å; R173-F532 HydrophobicContact CB-CZ 3.74Å; R173-F532 HydrophobicContact CG-CE1 3.97Å; R173-F532 HydrophobicContact CG-CZ 3.73Å; R173-N542 PolarHBondContact NH2-OD1 2.92Å; R173-L543 HydrophobicContact CB-CD1 4.42Å; R173-L543 HydrophobicContact CB-CD2 4.34Å
174Y98.3Very high97.5Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-57-42.4172.3174.5-110.5000111.5L49 I56 Q60 I62 L66 Y170 F171 Q176 W177 K178L49-Y174 HydrophobicContact CD1-CE1 4.46Å; I56-Y174 HydrophobicContact CD1-CE1 4.13Å; I56-Y174 HydrophobicContact CG1-CE1 4.04Å; I56-Y174 HydrophobicContact CG2-CD1 4.36Å; I56-Y174 HydrophobicContact CG2-CE1 3.99Å; I56-Y174 HydrophobicContact CG2-CE2 4.41Å; Q60-Y174 HydrophobicContact CB-CE2 4.46Å; I62-Y174 HydrophobicContact CG2-CD2 4.37Å; L66-Y174 VanDerWaalsContact CD1-CA 3.48Å; L66-Y174 HydrophobicContact CD1-CD2 4.22Å; L66-Y174 HydrophobicContact CD1-CG 4.42Å; Y170-Y174 PolarHBondContact O-N 3Å; F171-Y174 AromaticContact CD2-CD1 3.83Å; F171-Y174 HydrophobicContact CD2-CD1 3.83Å; F171-Y174 AromaticContact CE2-CD1 3.64Å; F171-Y174 HydrophobicContact CE2-CD1 3.64Å; F171-Y174 HydrophobicContact CE2-CE1 4.17Å; F171-Y174 WeakPolarHBondContact O-CA 3.36Å; F171-Y174 WeakPolarHBondContact O-CB 3.11Å; F171-Y174 PolarHBondContact O-N 3.49Å; F171-Y174 VanDerWaalsContact O-N 3.08Å; Y174-Q176 VanDerWaalsContact C-N 3.35Å; Y174-Q176 PolarHBondContact O-N 3.02Å; Y174-W177 WeakPolarHBondContact O-CB 3.49Å; Y174-W177 PolarHBondContact O-N 3.09Å; Y174-W177 VanDerWaalsContact O-N 3.17Å; Y174-K178 HydrophobicContact CD1-CG 4.24Å; Y174-K178 HydrophobicContact CD2-CG 4.32Å; Y174-K178 HydrophobicContact CE1-CD 4.35Å; Y174-K178 HydrophobicContact CE1-CG 3.82Å; Y174-K178 HydrophobicContact CE2-CD 3.81Å; Y174-K178 HydrophobicContact CE2-CG 3.88Å; Y174-K178 HydrophobicContact CG-CG 4.49Å; Y174-K178 WeakPolarHBondContact O-CG 3.36Å; Y174-K178 PolarHBondContact O-N 3.02Å
175L98.2Very high97.5Very high2 Ų233.9 Ų33.91%0.0118%0.178CC..Hα-helixtrans-63.5-37.7176.5-61.3176.5000112.9C42 L45 K46 L49 F171 N172 R173 K178 W179C42-L175 HydrophobicContact CB-CB 3.9Å; L45-L175 HydrophobicContact CB-CD2 4.01Å; L45-L175 VanDerWaalsContact CD1-O 3.28Å; L45-L175 WeakPolarHBondContact CD1-O 3.32Å; K46-L175 HydrophobicContact CD-CD1 4.12Å; K46-L175 HydrophobicContact CG-CD1 3.58Å; K46-L175 HydrophobicContact CG-CD2 4.36Å; L49-L175 HydrophobicContact CD1-CD2 3.86Å; F171-L175 HydrophobicContact CD1-CD1 4.35Å; F171-L175 HydrophobicContact CE1-CD1 3.96Å; F171-L175 HydrophobicContact CE1-CD2 4.23Å; F171-L175 HydrophobicContact CE1-CG 4.17Å; F171-L175 HydrophobicContact CE2-CD2 4.24Å; F171-L175 HydrophobicContact CZ-CD1 4.39Å; F171-L175 HydrophobicContact CZ-CD2 3.8Å; F171-L175 HydrophobicContact CZ-CG 4.18Å; F171-L175 WeakPolarHBondContact O-CG 3.45Å; F171-L175 PolarHBondContact O-N 3.28Å; N172-L175 WeakPolarHBondContact O-CB 2.91Å; N172-L175 PolarHBondContact O-N 2.89Å; R173-L175 VanDerWaalsContact C-N 3.28Å; R173-L175 PolarHBondContact O-N 3.28Å; L175-K178 PolarHBondContact O-N 3.03Å; L175-W179 PolarHBondContact O-N 3.27Å
176Q98.3Very high97.4Very high0 Ų036.7 Ų36.70%020%0.196CC..Hα-helixtrans-64-39.6173.1-67.7176.3-53.500112F36 P37 I39 N172 R173 Y174 W179 L180 N542F36-Q176 HydrophobicContact CB-CB 4.47Å; F36-Q176 HydrophobicContact CD1-CB 3.61Å; F36-Q176 HydrophobicContact CE1-CB 4.1Å; F36-Q176 HydrophobicContact CG-CB 4.21Å; P37-Q176 HydrophobicContact CG-CG 4.48Å; P37-Q176 PolarHBondContact O-NE2 3.48Å; I39-Q176 HydrophobicContact CD1-CG 4.19Å; N172-Q176 PolarHBondContact O-N 3.37Å; R173-Q176 PolarHBondContact O-N 2.92Å; R173-Q176 VanDerWaalsContact O-N 3.16Å; Y174-Q176 VanDerWaalsContact C-N 3.35Å; Y174-Q176 PolarHBondContact O-N 3.02Å; Q176-W179 WeakPolarHBondContact O-CB 3.47Å; Q176-W179 PolarHBondContact O-N 2.97Å; Q176-L180 PolarHBondContact O-N 3.31Å; Q176-N542 PolarHBondContact NE2-O 3.2Å; Q176-N542 PolarHBondContact NE2-OD1 3.22Å
177W98.5Very high97.4Very high2 Ų241.1 Ų41.11%0.00821%0.213CC..Hα-helixtrans-63-43.5172.4-80.5110.5000112.3F36 I62 R173 Y174 W179 L180 E181 W516 M520 F526 L529 N530F36-W177 AromaticContact CE1-CD2 3.8Å; F36-W177 HydrophobicContact CE1-CD2 3.8Å; F36-W177 AromaticContact CE1-CE2 3.81Å; F36-W177 HydrophobicContact CE1-CE3 4.22Å; F36-W177 HydrophobicContact CE1-CG 4.07Å; F36-W177 HydrophobicContact CE1-CZ2 4.22Å; F36-W177 AromaticContact CZ-CD2 3.97Å; F36-W177 HydrophobicContact CZ-CD2 3.97Å; F36-W177 AromaticContact CZ-CE2 3.46Å; F36-W177 VanDerWaalsContact CZ-CE2 3.46Å; F36-W177 HydrophobicContact CZ-CG 4.42Å; F36-W177 HydrophobicContact CZ-CH2 4.2Å; F36-W177 AromaticContact CZ-CZ2 3.59Å; F36-W177 HydrophobicContact CZ-CZ2 3.59Å; F36-W177 AromaticContact CZ-NE1 3.64Å; I62-W177 HydrophobicContact CD1-CB 4.46Å; I62-W177 HydrophobicContact CD1-CD2 3.86Å; I62-W177 HydrophobicContact CD1-CE3 3.75Å; I62-W177 HydrophobicContact CD1-CG 4.2Å; I62-W177 HydrophobicContact CD1-CZ3 4.3Å; I62-W177 HydrophobicContact CG2-CB 4.01Å; I62-W177 HydrophobicContact CG2-CD2 4.41Å; I62-W177 HydrophobicContact CG2-CG 3.83Å; R173-W177 VanDerWaalsContact O-CD1 3.3Å; R173-W177 PolarHBondContact O-N 3.23Å; Y174-W177 WeakPolarHBondContact O-CB 3.49Å; Y174-W177 PolarHBondContact O-N 3.09Å; Y174-W177 VanDerWaalsContact O-N 3.17Å; W177-W179 VanDerWaalsContact C-N 3.26Å; W177-W179 PolarHBondContact O-N 2.73Å; W177-L180 HydrophobicContact CE3-CD1 4.21Å; W177-L180 HydrophobicContact CZ3-CD1 4.27Å; W177-L180 PolarHBondContact O-N 3.49Å; W177-E181 PolarHBondContact O-N 2.92Å; W177-W516 AromaticContact CE3-CH2 3.74Å; W177-W516 HydrophobicContact CE3-CH2 3.74Å; W177-W516 AromaticContact CE3-CZ3 3.97Å; W177-W516 HydrophobicContact CE3-CZ3 3.97Å; W177-W516 HydrophobicContact CZ3-CH2 4.07Å; W177-M520 HydrophobicContact CE3-CG 4.43Å; W177-M520 HydrophobicContact CH2-CB 4.49Å; W177-M520 HydrophobicContact CZ3-CB 4.11Å; W177-M520 HydrophobicContact CZ3-CG 3.82Å; W177-M520 HydrophobicContact CZ3-SD 4.17Å; W177-F526 HydrophobicContact CD2-CD2 4.43Å; W177-F526 AromaticContact CE2-CD2 3.6Å; W177-F526 AromaticContact CE2-CE2 3.98Å; W177-F526 HydrophobicContact CH2-CB 4.38Å; W177-F526 HydrophobicContact CH2-CD2 4.35Å; W177-F526 HydrophobicContact CZ2-CB 4.23Å; W177-F526 AromaticContact CZ2-CD2 3.56Å; W177-F526 HydrophobicContact CZ2-CD2 3.56Å; W177-F526 HydrophobicContact CZ2-CE2 4.3Å; W177-F526 HydrophobicContact CZ2-CG 4.21Å; W177-F526 AromaticContact NE1-CD2 3.71Å; W177-F526 AromaticContact NE1-CE2 3.58Å; W177-L529 HydrophobicContact CH2-CB 4.29Å; W177-L529 HydrophobicContact CH2-CD1 4.14Å; W177-L529 HydrophobicContact CZ2-CB 4.27Å; W177-N530 HydrophobicContact CZ2-CB 4.49Å; W177-N530 PolarHBondContact NE1-OD1 3.15Å; W177-N530 VanDerWaalsContact NE1-OD1 3.14Å
178K98.2Very high97.4Very high4 Ų440.4 Ų40.42%0.01721%0.205CC..Hα-helixtrans-64.2-30.6174.5-67.2-55.8-61-177.70112.7L45 L49 Q60 Y174 L175 E181 K182L45-K178 HydrophobicContact CD1-CB 4.19Å; L49-K178 HydrophobicContact CD1-CB 4.23Å; L49-K178 HydrophobicContact CD1-CG 4.01Å; Q60-K178 VanDerWaalsContact OE1-NZ 3.1Å; Y174-K178 HydrophobicContact CD1-CG 4.24Å; Y174-K178 HydrophobicContact CD2-CG 4.32Å; Y174-K178 HydrophobicContact CE1-CD 4.35Å; Y174-K178 HydrophobicContact CE1-CG 3.82Å; Y174-K178 HydrophobicContact CE2-CD 3.81Å; Y174-K178 HydrophobicContact CE2-CG 3.88Å; Y174-K178 HydrophobicContact CG-CG 4.49Å; Y174-K178 WeakPolarHBondContact O-CG 3.36Å; Y174-K178 PolarHBondContact O-N 3.02Å; L175-K178 PolarHBondContact O-N 3.03Å; K178-E181 VanDerWaalsContact CE-OE1 3.26Å; K178-E181 WeakPolarHBondContact CE-OE1 3.44Å; K178-E181 IonicContact NZ-OE1 3.49Å; K178-E181 PolarHBondContact NZ-OE1 2.94Å; K178-E181 IonicContact NZ-OE2 2.75Å; K178-E181 PolarHBondContact NZ-OE2 3.41Å; K178-K182 WeakPolarHBondContact O-CG 3.2Å; K178-K182 PolarHBondContact O-N 2.67Å
179W98Very high97.5Very high77 Ų7741.3 Ų41.329%0.29221%0.21SC..Hα-helixtrans-67.5-46.4172.8-17198.7000111.4P37 L45 L175 Q176 W177 E181 K182 T183P37-W179 HydrophobicContact CB-CD2 3.92Å; P37-W179 HydrophobicContact CB-CE3 4Å; P37-W179 HydrophobicContact CB-CG 4.4Å; P37-W179 HydrophobicContact CB-CH2 4.4Å; P37-W179 HydrophobicContact CB-CZ2 4.32Å; P37-W179 HydrophobicContact CB-CZ3 4.24Å; P37-W179 HydrophobicContact CG-CB 3.96Å; P37-W179 HydrophobicContact CG-CD2 3.52Å; P37-W179 HydrophobicContact CG-CE3 3.57Å; P37-W179 HydrophobicContact CG-CG 3.68Å; P37-W179 HydrophobicContact CG-CZ3 4.26Å; L45-W179 HydrophobicContact CD1-CB 3.91Å; L175-W179 PolarHBondContact O-N 3.27Å; Q176-W179 WeakPolarHBondContact O-CB 3.47Å; Q176-W179 PolarHBondContact O-N 2.97Å; W177-W179 VanDerWaalsContact C-N 3.26Å; W177-W179 PolarHBondContact O-N 2.73Å; W179-E181 VanDerWaalsContact C-N 3.33Å; W179-E181 PolarHBondContact O-N 3.15Å; W179-K182 PolarHBondContact O-N 2.91Å; W179-K182 VanDerWaalsContact O-N 3.15Å; W179-T183 HydrophobicContact CE3-CG2 4.04Å; W179-T183 HydrophobicContact CH2-CG2 4.23Å; W179-T183 HydrophobicContact CZ3-CG2 3.69Å; W179-T183 PolarHBondContact O-N 2.88Å
180L98.1Very high97.5Very high4 Ų439.8 Ų39.82%0.02120%0.2CC..Hα-helixtrans-59.3-43.1175.6-74.6-179.1000112A35 F36 Q176 W177 K182 T183 W516A35-L180 WeakPolarHBondContact O-CD2 3.28Å; F36-L180 HydrophobicContact CD1-CD1 3.48Å; F36-L180 VanDerWaalsContact CD1-CD1 3.48Å; F36-L180 HydrophobicContact CD1-CG 4.06Å; F36-L180 HydrophobicContact CE1-CD1 3.44Å; F36-L180 VanDerWaalsContact CE1-CD1 3.44Å; F36-L180 HydrophobicContact CE1-CG 4.35Å; F36-L180 HydrophobicContact CG-CD1 4.49Å; F36-L180 HydrophobicContact CZ-CD1 4.42Å; Q176-L180 PolarHBondContact O-N 3.31Å; W177-L180 HydrophobicContact CE3-CD1 4.21Å; W177-L180 HydrophobicContact CZ3-CD1 4.27Å; W177-L180 PolarHBondContact O-N 3.49Å; L180-K182 PolarHBondContact O-N 3.35Å; L180-T183 WeakPolarHBondContact O-CB 3.32Å; L180-T183 WeakPolarHBondContact O-CG2 3.23Å; L180-T183 PolarHBondContact O-N 3.43Å; L180-T183 VanDerWaalsContact O-N 3.11Å; L180-T183 PolarHBondContact O-OG1 3.04Å; L180-W516 HydrophobicContact CB-CH2 3.87Å; L180-W516 HydrophobicContact CB-CZ2 4.16Å
181E97.8Very high97.5Very high12 Ų1241.4 Ų41.46%0.05621%0.206CC..Hα-helixtrans-57.9-37176.4-172.8-164.187.500112.3W177 K178 W179 T183 A511 S513 W516 Q517W177-E181 PolarHBondContact O-N 2.92Å; K178-E181 VanDerWaalsContact CE-OE1 3.26Å; K178-E181 WeakPolarHBondContact CE-OE1 3.44Å; K178-E181 IonicContact NZ-OE1 3.49Å; K178-E181 PolarHBondContact NZ-OE1 2.94Å; K178-E181 IonicContact NZ-OE2 2.75Å; K178-E181 PolarHBondContact NZ-OE2 3.41Å; W179-E181 VanDerWaalsContact C-N 3.33Å; W179-E181 PolarHBondContact O-N 3.15Å; E181-T183 VanDerWaalsContact C-N 3.26Å; E181-T183 PolarHBondContact O-N 3.04Å; E181-A511 HydrophobicContact CG-CB 4.4Å; E181-S513 PolarHBondContact OE1-OG 3.26Å; E181-S513 WeakPolarHBondContact OE2-CA 3.32Å; E181-S513 WeakPolarHBondContact OE2-CB 3.48Å; E181-W516 HydrophobicContact CB-CD2 4.05Å; E181-W516 HydrophobicContact CB-CE3 3.76Å; E181-W516 HydrophobicContact CB-CH2 4.12Å; E181-W516 HydrophobicContact CB-CZ2 4.38Å; E181-W516 HydrophobicContact CB-CZ3 3.8Å; E181-W516 HydrophobicContact CG-CB 4.48Å; E181-W516 HydrophobicContact CG-CD2 3.88Å; E181-W516 HydrophobicContact CG-CE3 3.77Å; E181-W516 HydrophobicContact CG-CG 4.19Å; E181-W516 HydrophobicContact CG-CZ3 4.33Å; E181-Q517 PolarHBondContact OE2-NE2 3.42Å
182K96.4Very high97.4Very high113 Ų11345.2 Ų45.249%0.49123%0.225SC..THydrogen-bonded Turntrans-80.20.3179.9-76175.5176.9-76.80114.1L45 K178 W179 L180L45-K182 HydrophobicContact CD2-CD 3.66Å; K178-K182 WeakPolarHBondContact O-CG 3.2Å; K178-K182 PolarHBondContact O-N 2.67Å; W179-K182 PolarHBondContact O-N 2.91Å; W179-K182 VanDerWaalsContact O-N 3.15Å; L180-K182 PolarHBondContact O-N 3.35Å
183T95.5Very high97.3Very high54 Ų5446.1 Ų46.133%0.33123%0.226SC..SBendtrans-64.5142.9178.357.70000111.4W179 L180 E181 V185W179-T183 HydrophobicContact CE3-CG2 4.04Å; W179-T183 HydrophobicContact CH2-CG2 4.23Å; W179-T183 HydrophobicContact CZ3-CG2 3.69Å; W179-T183 PolarHBondContact O-N 2.88Å; L180-T183 WeakPolarHBondContact O-CB 3.32Å; L180-T183 WeakPolarHBondContact O-CG2 3.23Å; L180-T183 PolarHBondContact O-N 3.43Å; L180-T183 VanDerWaalsContact O-N 3.11Å; L180-T183 PolarHBondContact O-OG1 3.04Å; E181-T183 VanDerWaalsContact C-N 3.26Å; E181-T183 PolarHBondContact O-N 3.04Å; T183-V185 PolarHBondContact O-N 3.48Å
184P95.5Very high97Very high116 Ų11646.5 Ų46.575%0.75323%0.228SC*.PPolyproline II helixtrans-58.7130.6-178.6-26.535000113.2
185V97.9Very high96.7Very high23 Ų2347.7 Ų47.714%0.13924%0.235CC..PPolyproline II helixtrans-92.4130.3176.2-176.60000109.2T183 T189 F190 Y255 F257 A511T183-V185 PolarHBondContact O-N 3.48Å; V185-T189 HydrophobicContact CG1-CG2 4.45Å; V185-F190 HydrophobicContact CG1-CE2 3.62Å; V185-F190 HydrophobicContact CG1-CZ 3.85Å; V185-Y255 HydrophobicContact CG1-CD1 4.1Å; V185-Y255 HydrophobicContact CG2-CD1 3.81Å; V185-Y255 HydrophobicContact CG2-CE1 4.43Å; V185-F257 HydrophobicContact CB-CB 4.23Å; V185-F257 HydrophobicContact CG1-CB 3.93Å; V185-F257 HydrophobicContact CG1-CD1 4.09Å; V185-F257 HydrophobicContact CG1-CG 4.15Å; V185-A511 HydrophobicContact CG2-CB 4.5Å
186T96.9Very high96.4Very high59 Ų5949.7 Ų49.736%0.36225%0.246SC..  trans-136.5174.717972.30000110.8H188 T189T186-H188 PolarHBondContact O-N 2.84Å; T186-H188 PolarHBondContact OG1-N 2.84Å; T186-T189 PolarHBondContact N-OG1 3.49Å; T186-T189 VanDerWaalsContact O-CB 3.27Å; T186-T189 WeakPolarHBondContact O-CB 3.4Å; T186-T189 PolarHBondContact O-N 3.44Å; T186-T189 PolarHBondContact O-OG1 2.74Å
187K96.8Very high95.9Very high129 Ų12950.8 Ų50.856%0.56126%0.256SS*.G310 helixtrans-53.7-2517171.1178.7-177.8179.20113.6T189 F190 F257 T259K187-T189 VanDerWaalsContact C-N 3.3Å; K187-F190 PolarHBondContact O-N 3.05Å; K187-F257 HydrophobicContact CB-CE2 4.32Å; K187-T259 HydrophobicContact CB-CG2 4.27Å
188H96.9Very high95.3Very high123 Ų12354.2 Ų54.257%0.56927%0.271SS*.G310 helixtrans-78.3-14.4-179.6-62.6-70.4000113.2T186 F190 R210T186-H188 PolarHBondContact O-N 2.84Å; T186-H188 PolarHBondContact OG1-N 2.84Å; H188-F190 PolarHBondContact O-N 3.41Å; H188-R210 WeakPolarHBondContact O-CD 3.3Å; H188-R210 PolarHBondContact O-NE 3.36Å
189T98.1Very high94.4Very high38 Ų3854.9 Ų54.923%0.23328%0.28CS..G310 helixtrans-65.1-25.7172.4-53.10000111.3V185 T186 K187 V209 R210V185-T189 HydrophobicContact CG1-CG2 4.45Å; T186-T189 PolarHBondContact N-OG1 3.49Å; T186-T189 VanDerWaalsContact O-CB 3.27Å; T186-T189 WeakPolarHBondContact O-CB 3.4Å; T186-T189 PolarHBondContact O-N 3.44Å; T186-T189 PolarHBondContact O-OG1 2.74Å; K187-T189 VanDerWaalsContact C-N 3.3Å; T189-V209 HydrophobicContact CG2-CG1 4.41Å; T189-R210 WeakPolarHBondContact O-CB 3.19Å; T189-R210 WeakPolarHBondContact O-CG 3.38Å; T189-R210 PolarHBondContact O-N 3.15Å
190F97.9Very high93.4Very high4 Ų453.4 Ų53.42%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-114.8155.9-170.5-51.5-80.9000113.5V185 K187 H188 M192 C207 Q208 V209 R210 Y255 F257 V266V185-F190 HydrophobicContact CG1-CE2 3.62Å; V185-F190 HydrophobicContact CG1-CZ 3.85Å; K187-F190 PolarHBondContact O-N 3.05Å; H188-F190 PolarHBondContact O-N 3.41Å; F190-M192 HydrophobicContact CB-SD 4.21Å; F190-C207 HydrophobicContact CB-CB 4.36Å; F190-Q208 CarbonylContact C-O 3.55Å; F190-Q208 VanDerWaalsContact CA-O 3.27Å; F190-Q208 WeakPolarHBondContact CA-O 3.4Å; F190-V209 HydrophobicContact CD1-CG2 3.92Å; F190-V209 HydrophobicContact CE1-CG2 3.65Å; F190-R210 PolarHBondContact O-NE 3Å; F190-R210 PolarHBondContact O-NH2 3.45Å; F190-Y255 HydrophobicContact CE1-CD2 4.08Å; F190-Y255 HydrophobicContact CE1-CE2 4.36Å; F190-Y255 HydrophobicContact CE1-CG 4.38Å; F190-Y255 HydrophobicContact CZ-CD1 4.28Å; F190-Y255 HydrophobicContact CZ-CD2 4.04Å; F190-Y255 AromaticContact CZ-CG 3.88Å; F190-Y255 HydrophobicContact CZ-CG 3.88Å; F190-F257 HydrophobicContact CD2-CD1 4.46Å; F190-F257 AromaticContact CD2-CE1 3.76Å; F190-F257 HydrophobicContact CD2-CE1 3.76Å; F190-F257 HydrophobicContact CD2-CE2 4.49Å; F190-F257 AromaticContact CD2-CZ 3.78Å; F190-F257 HydrophobicContact CD2-CZ 3.78Å; F190-F257 AromaticContact CE2-CD1 3.67Å; F190-F257 HydrophobicContact CE2-CD1 3.67Å; F190-F257 AromaticContact CE2-CE1 3.33Å; F190-F257 HydrophobicContact CE2-CE1 3.33Å; F190-F257 HydrophobicContact CE2-CG 4.4Å; F190-F257 AromaticContact CE2-CZ 3.82Å; F190-F257 HydrophobicContact CE2-CZ 3.82Å; F190-F257 HydrophobicContact CZ-CD1 4.34Å; F190-F257 HydrophobicContact CZ-CE1 4.08Å; F190-V266 HydrophobicContact CE1-CG1 4.09Å; F190-V266 HydrophobicContact CE1-CG2 4.07Å; F190-V266 HydrophobicContact CE2-CG2 4.3Å; F190-V266 HydrophobicContact CZ-CG2 3.8Å
191R96.8Very high92.8Very high72 Ų7254.8 Ų54.827%0.27229%0.294SS..EExtended strand (participates in β ladder)trans-105.2135.4155.6-57.8-175.4-172.1105.3-2.3107.6G25 Y193 C207 Q208 R210G25-R191 PolarHBondContact O-NH1 3Å; R191-Y193 HydrophobicContact CB-CE2 4.05Å; R191-C207 CarbonylContact O-C 3.59Å; R191-C207 WeakPolarHBondContact O-CA 3.23Å; R191-C207 WeakPolarHBondContact O-CB 3.35Å; R191-Q208 PolarHBondContact N-O 3.18Å; R191-Q208 PolarHBondContact O-N 2.62Å; R191-R210 HydrophobicContact CG-CG 3.72Å
192M95.9Very high92.3Very high83 Ų8354.4 Ų54.441%0.40929%0.293SS..EExtended strand (participates in β ladder)trans-96.3144.2178.8-52.9-52.6-61.300109.7F190 C205 C207 C218F190-M192 HydrophobicContact CB-SD 4.21Å; M192-C205 HydrophobicContact CE-CB 4.44Å; M192-C205 WeakPolarHBondContact CE-SG 3.38Å; M192-C207 HydrophobicContact CE-CB 3.86Å; M192-C207 HydrophobicContact SD-CB 3.76Å; M192-C218 HydrophobicContact CE-CB 4.02Å
193Y94.6Very high92.2Very high53 Ų5352.3 Ų52.321%0.20829%0.285CS..EExtended strand (participates in β ladder)trans-122.6-152.4177.2-68.4-89.8000109.3V11 Y12 A15 R191 A206 Q208 L215V11-Y193 HydrophobicContact CG1-CD1 3.79Å; V11-Y193 HydrophobicContact CG1-CE1 3.7Å; Y12-Y193 HydrophobicContact CD2-CG 4.46Å; A15-Y193 HydrophobicContact CB-CD1 4.1Å; A15-Y193 HydrophobicContact CB-CE1 3.46Å; A15-Y193 VanDerWaalsContact CB-CE1 3.46Å; A15-Y193 HydrophobicContact CB-CE2 4.23Å; R191-Y193 HydrophobicContact CB-CE2 4.05Å; Y193-A206 PolarHBondContact N-O 2.75Å; Y193-Q208 HydrophobicContact CD2-CB 4.4Å; Y193-Q208 HydrophobicContact CE2-CB 3.57Å; Y193-Q208 PolarHBondContact OH-OE1 3.44Å; Y193-L215 HydrophobicContact CD2-CD2 4.49Å; Y193-L215 HydrophobicContact CE2-CD2 4.39Å
194R92.7Very high92.1Very high9 Ų951.4 Ų51.43%0.03428%0.279CS..EExtended strand (participates in β ladder)trans-64.4154.2-176.769.1162.5-69.5169.90.2113.4A8 N9 Y12 L196 C205 A206 K480A8-R194 HydrophobicContact CB-CB 3.95Å; N9-R194 PolarHBondContact OD1-NH1 2.62Å; Y12-R194 HydrophobicContact CD1-CG 4.03Å; Y12-R194 HydrophobicContact CD2-CG 4.34Å; Y12-R194 HydrophobicContact CG-CG 3.86Å; R194-L196 HydrophobicContact CG-CD2 4.27Å; R194-C205 WeakPolarHBondContact O-CA 3.48Å; R194-C205 WeakPolarHBondContact O-CB 3Å; R194-A206 PolarHBondContact O-N 3.02Å; R194-K480 PolarHBondContact NH2-O 2.92Å
195V92.7Very high92.1Very high25 Ų2545.9 Ų45.915%0.15224%0.244CC..EExtended strand (participates in β ladder)trans-70.2132.3165.8-175.80000108.7G197 E203 V204 I485V195-G197 WeakPolarHBondContact CG1-O 3.26Å; V195-E203 HydrophobicContact CG1-CB 4.18Å; V195-V204 WeakPolarHBondContact CG1-O 3.43Å; V195-I485 HydrophobicContact CB-CD1 4.07Å; V195-I485 HydrophobicContact CG1-CD1 3.72Å; V195-I485 HydrophobicContact CG1-CG2 4.23Å
196L91.1Very high92Very high44 Ų4444.8 Ų44.823%0.2324%0.237CC..EExtended strand (participates in β ladder)trans-96.6-34.1178.4-59.8177.1000111Y12 R194 V204 A206 A217Y12-L196 HydrophobicContact CE1-CD2 4.35Å; R194-L196 HydrophobicContact CG-CD2 4.27Å; L196-V204 PolarHBondContact N-O 2.69Å; L196-A206 HydrophobicContact CD1-CB 4.17Å; L196-A206 HydrophobicContact CD2-CB 4.28Å; L196-A206 HydrophobicContact CG-CB 4.29Å; L196-A217 HydrophobicContact CD1-CB 4.32Å
197G88.2Confident92.1Very high22 Ų2242 Ų4223%0.22722%0.22CC..EExtended strand (participates in β ladder)trans-175.7-176179.800000113.3V195 V204V195-G197 WeakPolarHBondContact CG1-O 3.26Å; G197-V204 PolarHBondContact N-O 2.54Å; G197-V204 PolarHBondContact O-N 3.26Å
198K85Confident92.1Very high74 Ų7436 Ų3632%0.32219%0.194SC..EExtended strand (participates in β ladder)trans-120126.3-178.5-173.8-171.2-171.5168.10109.5I485 E486 F488K198-I485 HydrophobicContact CB-CG2 4Å; K198-E486 HydrophobicContact CD-CB 4.17Å; K198-E486 WeakPolarHBondContact CD-O 3.48Å; K198-E486 WeakPolarHBondContact CE-O 3.47Å; K198-E486 PolarHBondContact NZ-O 2.9Å; K198-E486 IonicContact NZ-OE2 3.19Å; K198-E486 PolarHBondContact NZ-OE2 2.83Å; K198-F488 HydrophobicContact CD-CE2 3.99Å; K198-F488 HydrophobicContact CD-CZ 4.08Å; K198-F488 VanDerWaalsContact CE-CE1 3.42Å; K198-F488 HydrophobicContact CG-CD2 4.34Å; K198-F488 HydrophobicContact CG-CE2 3.55Å; K198-F488 HydrophobicContact CG-CZ 3.92Å
199G78.8Confident92.1Very high19 Ų1930.3 Ų30.320%0.19617%0.168CC..EExtended strand (participates in β ladder)trans-99.6179.5171.700000112.1F201 G202 F488G199-F201 VanDerWaalsContact C-N 3.26Å; G199-F201 PolarHBondContact O-N 3.45Å; G199-G202 PolarHBondContact N-O 3.25Å; G199-G202 VanDerWaalsContact O-O 3.1Å; G199-F488 VanDerWaalsContact O-CZ 3.23Å; G199-F488 WeakPolarHBondContact O-CZ 3.35Å
200G78.3Confident92.1Very high45 Ų4533 Ų3346%0.46417%0.174SC..THydrogen-bonded Turntrans-61.8-28.7-177.200000115.2R229G200-R229 PolarHBondContact O-NH1 2.74Å
201F84.3Confident92Very high33 Ų3333.3 Ų33.315%0.14518%0.177CC..THydrogen-bonded Turntrans-1183.9-173.6-55-71.2000114.5G199 M221 E222 R229 A231 M234G199-F201 VanDerWaalsContact C-N 3.26Å; G199-F201 PolarHBondContact O-N 3.45Å; F201-M221 HydrophobicContact CB-CB 4.16Å; F201-M221 HydrophobicContact CB-CG 4.24Å; F201-E222 PolarHBondContact O-N 3Å; F201-R229 HydrophobicContact CE1-CB 4.38Å; F201-A231 HydrophobicContact CD1-CB 4.08Å; F201-A231 HydrophobicContact CE1-CB 3.23Å; F201-A231 HydrophobicContact CE2-CB 4.27Å; F201-A231 HydrophobicContact CZ-CB 3.36Å; F201-M234 HydrophobicContact CE2-SD 3.96Å; F201-M234 HydrophobicContact CZ-SD 3.93Å
202G88.9Confident92Very high4 Ų429.9 Ų29.94%0.04116%0.164CC..EExtended strand (participates in β ladder)trans162.9-149.3-177.600000112G199 K220 F488G199-G202 PolarHBondContact N-O 3.25Å; G199-G202 VanDerWaalsContact O-O 3.1Å; G202-K220 CarbonylContact C-O 3.22Å; G202-K220 VanDerWaalsContact CA-O 3.3Å; G202-K220 WeakPolarHBondContact CA-O 3.43Å; G202-F488 WeakPolarHBondContact O-CE2 3.36Å
203E92.9Very high91.9Very high70 Ų7026.3 Ų26.333%0.32715%0.149SC..EExtended strand (participates in β ladder)trans-112.8157.2-17363.2179-157.200112.3V195 K220V195-E203 HydrophobicContact CG1-CB 4.18Å; E203-K220 HydrophobicContact CG-CB 4.33Å; E203-K220 HydrophobicContact CG-CD 4.13Å; E203-K220 PolarHBondContact N-O 3.02Å; E203-K220 PolarHBondContact O-N 3.22Å; E203-K220 IonicContact OE1-NZ 3.65Å; E203-K220 PolarHBondContact OE1-NZ 3.04Å
204V94.4Very high91.9Very high34 Ų3425.9 Ų25.921%0.20615%0.148CC..EExtended strand (participates in β ladder)trans-110.9126.1166.3-175.70000107.3V195 L196 G197 A217 C218 K219V195-V204 WeakPolarHBondContact CG1-O 3.43Å; L196-V204 PolarHBondContact N-O 2.69Å; G197-V204 PolarHBondContact N-O 2.54Å; G197-V204 PolarHBondContact O-N 3.26Å; V204-A217 HydrophobicContact CG1-CB 4.07Å; V204-C218 WeakPolarHBondContact CA-O 3.28Å; V204-K219 HydrophobicContact CG2-CB 4.12Å; V204-K219 HydrophobicContact CG2-CG 4.06Å
205C95.4Very high92.1Very high1 Ų126.6 Ų26.61%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-130.1152.1-179.854.90000110.7M192 R194 A217 C218 K220M192-C205 HydrophobicContact CE-CB 4.44Å; M192-C205 WeakPolarHBondContact CE-SG 3.38Å; R194-C205 WeakPolarHBondContact O-CA 3.48Å; R194-C205 WeakPolarHBondContact O-CB 3Å; C205-A217 CarbonylContact O-C 3.47Å; C205-C218 PolarHBondContact N-O 2.86Å; C205-C218 PolarHBondContact O-N 2.81Å; C205-C218 PolarHBondContact SG-O 3.38Å; C205-K220 WeakPolarHBondContact SG-CE 3.42Å; C205-K220 PolarHBondContact SG-NZ 2.94Å
206A96.2Very high92.3Very high0 Ų025.7 Ų25.70%015%0.146CC..EExtended strand (participates in β ladder)trans-70.8141.2171.500000110.1Y12 Y193 R194 L196 I269Y12-A206 HydrophobicContact CD2-CB 3.84Å; Y12-A206 HydrophobicContact CE2-CB 3.25Å; Y193-A206 PolarHBondContact N-O 2.75Å; R194-A206 PolarHBondContact O-N 3.02Å; L196-A206 HydrophobicContact CD1-CB 4.17Å; L196-A206 HydrophobicContact CD2-CB 4.28Å; L196-A206 HydrophobicContact CG-CB 4.29Å; A206-I269 HydrophobicContact CB-CD1 4.12Å
207C97.2Very high92.6Very high0 Ų024.1 Ų24.10%014%0.139CC..EExtended strand (participates in β ladder)trans-139.2159.4172.971.90000111.2F190 R191 M192 L215 Y216 C218F190-C207 HydrophobicContact CB-CB 4.36Å; R191-C207 CarbonylContact O-C 3.59Å; R191-C207 WeakPolarHBondContact O-CA 3.23Å; R191-C207 WeakPolarHBondContact O-CB 3.35Å; M192-C207 HydrophobicContact CE-CB 3.86Å; M192-C207 HydrophobicContact SD-CB 3.76Å; C207-L215 CarbonylContact O-C 3.16Å; C207-L215 WeakPolarHBondContact O-CA 3.19Å; C207-Y216 PolarHBondContact N-O 2.77Å; C207-Y216 PolarHBondContact O-N 2.88Å; C207-Y216 VanDerWaalsContact O-O 3.12Å; C207-C218 HydrophobicContact CB-CB 4.21Å
208Q97Very high93Very high3 Ų323.1 Ų23.11%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-128.1132.2177.6-169.3-177.442.300110F190 R191 Y193 R210 G213 K214 L215F190-Q208 CarbonylContact C-O 3.55Å; F190-Q208 VanDerWaalsContact CA-O 3.27Å; F190-Q208 WeakPolarHBondContact CA-O 3.4Å; R191-Q208 PolarHBondContact N-O 3.18Å; R191-Q208 PolarHBondContact O-N 2.62Å; Y193-Q208 HydrophobicContact CD2-CB 4.4Å; Y193-Q208 HydrophobicContact CE2-CB 3.57Å; Y193-Q208 PolarHBondContact OH-OE1 3.44Å; Q208-R210 PolarHBondContact O-N 3.22Å; Q208-G213 VanDerWaalsContact CG-C 3.49Å; Q208-G213 WeakPolarHBondContact CG-O 3.23Å; Q208-G213 PolarHBondContact NE2-O 3.06Å; Q208-K214 CarbonylContact C-O 3.56Å; Q208-K214 VanDerWaalsContact CA-O 3.3Å; Q208-K214 WeakPolarHBondContact CA-O 3.27Å; Q208-L215 HydrophobicContact CB-CD2 3.87Å; Q208-L215 HydrophobicContact CG-CD2 4.2Å
209V97.8Very high93.6Very high4 Ų420.5 Ų20.52%0.02412%0.118CC..EExtended strand (participates in β ladder)trans-68.8122.6172.4176.40000108.5T189 F190 A211 T212 G213 K214 Y216 Y255 E519T189-V209 HydrophobicContact CG2-CG1 4.41Å; F190-V209 HydrophobicContact CD1-CG2 3.92Å; F190-V209 HydrophobicContact CE1-CG2 3.65Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 2.72Å; V209-T212 WeakPolarHBondContact CB-OG1 3.32Å; V209-T212 HydrophobicContact CG1-CG2 4.24Å; V209-T212 WeakPolarHBondContact CG1-OG1 3.46Å; V209-G213 WeakPolarHBondContact O-CA 3.28Å; V209-G213 PolarHBondContact O-N 3.24Å; V209-K214 PolarHBondContact N-O 2.98Å; V209-Y216 HydrophobicContact CG2-CD2 3.9Å; V209-Y216 HydrophobicContact CG2-CE2 3.93Å; V209-Y255 HydrophobicContact CG2-CE2 3.95Å; V209-E519 WeakPolarHBondContact CB-OE1 3.26Å; V209-E519 VanDerWaalsContact CG1-OE1 3.32Å; V209-E519 WeakPolarHBondContact CG1-OE1 3.46Å; V209-E519 WeakPolarHBondContact CG2-OE1 3.31Å
210R97.1Very high94.4Very high94 Ų9422.2 Ų22.236%0.35512%0.119SC..THydrogen-bonded Turntrans-62.3-37-173.5-74.6-175.6-172-140.6-4113.2S27 L33 H188 T189 F190 R191 Q208S27-R210 WeakPolarHBondContact CB-O 3.5Å; S27-R210 PolarHBondContact N-O 3.48Å; L33-R210 HydrophobicContact CD1-CB 4.4Å; H188-R210 WeakPolarHBondContact O-CD 3.3Å; H188-R210 PolarHBondContact O-NE 3.36Å; T189-R210 WeakPolarHBondContact O-CB 3.19Å; T189-R210 WeakPolarHBondContact O-CG 3.38Å; T189-R210 PolarHBondContact O-N 3.15Å; F190-R210 PolarHBondContact O-NE 3Å; F190-R210 PolarHBondContact O-NH2 3.45Å; R191-R210 HydrophobicContact CG-CG 3.72Å; Q208-R210 PolarHBondContact O-N 3.22Å
211A96.5Very high95.2Very high10 Ų1020.1 Ų20.18%0.08310%0.098CC..THydrogen-bonded Turntrans-74.3-44.4-175.200000111.6R26 W30 L33 L34 V209R26-A211 WeakPolarHBondContact CB-O 3.49Å; R26-A211 VanDerWaalsContact CG-O 3.31Å; R26-A211 WeakPolarHBondContact CG-O 3.46Å; W30-A211 WeakPolarHBondContact CB-O 3.31Å; L33-A211 HydrophobicContact CB-CB 4.13Å; L33-A211 HydrophobicContact CD1-CB 4.22Å; L34-A211 HydrophobicContact CD1-CB 3.85Å; L34-A211 HydrophobicContact CD2-CB 4.24Å; L34-A211 HydrophobicContact CG-CB 3.83Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 2.72Å
212T96Very high95.7Very high1 Ų121.7 Ų21.71%0.00611%0.105CC..THydrogen-bonded Turntrans-97.3-22.2-171.464.50000113.8R26 L34 V209 K214 E519 M520R26-T212 WeakPolarHBondContact CG-O 3.42Å; L34-T212 HydrophobicContact CD1-CG2 4.4Å; V209-T212 WeakPolarHBondContact CB-OG1 3.32Å; V209-T212 HydrophobicContact CG1-CG2 4.24Å; V209-T212 WeakPolarHBondContact CG1-OG1 3.46Å; T212-K214 PolarHBondContact O-N 2.99Å; T212-K214 PolarHBondContact OG1-N 3.28Å; T212-E519 VanDerWaalsContact CB-OE1 3.29Å; T212-E519 WeakPolarHBondContact CB-OE1 3.11Å; T212-E519 HydrophobicContact CG2-CG 3.98Å; T212-E519 WeakPolarHBondContact CG2-OE1 3.29Å; T212-E519 PolarHBondContact OG1-OE1 3.39Å; T212-M520 HydrophobicContact CG2-CE 3.33Å; T212-M520 HydrophobicContact CG2-SD 3.82Å
213G95Very high96.1Very high8 Ų821.9 Ų21.98%0.08211%0.105CC..  trans78.30.7-173.100000114.1K24 Q208 V209K24-G213 WeakPolarHBondContact O-CA 3.36Å; Q208-G213 VanDerWaalsContact CG-C 3.49Å; Q208-G213 WeakPolarHBondContact CG-O 3.23Å; Q208-G213 PolarHBondContact NE2-O 3.06Å; V209-G213 WeakPolarHBondContact O-CA 3.28Å; V209-G213 PolarHBondContact O-N 3.24Å
214K95.2Very high96.2Very high43 Ų4322.8 Ų22.819%0.18711%0.108CC..  trans-69134.8-179.6-169.6165.8176.91740111.7Q208 V209 T212 Y216 E519 E522 T523Q208-K214 CarbonylContact C-O 3.56Å; Q208-K214 VanDerWaalsContact CA-O 3.3Å; Q208-K214 WeakPolarHBondContact CA-O 3.27Å; V209-K214 PolarHBondContact N-O 2.98Å; T212-K214 PolarHBondContact O-N 2.99Å; T212-K214 PolarHBondContact OG1-N 3.28Å; K214-Y216 HydrophobicContact CB-CD2 4.5Å; K214-Y216 HydrophobicContact CB-CE2 3.94Å; K214-Y216 HydrophobicContact CD-CE2 3.75Å; K214-Y216 WeakPolarHBondContact CD-OH 3.4Å; K214-Y216 WeakPolarHBondContact CE-OH 3.41Å; K214-Y216 HydrophobicContact CG-CD2 4.24Å; K214-Y216 HydrophobicContact CG-CE2 3.63Å; K214-Y216 PolarHBondContact NZ-OH 3.37Å; K214-E519 HydrophobicContact CB-CG 3.92Å; K214-E519 HydrophobicContact CD-CB 3.69Å; K214-E519 HydrophobicContact CD-CG 3.52Å; K214-E519 HydrophobicContact CG-CG 4.34Å; K214-E522 WeakPolarHBondContact CE-OE2 3.31Å; K214-E522 IonicContact NZ-OE1 2.69Å; K214-E522 IonicContact NZ-OE2 3.62Å; K214-E522 PolarHBondContact NZ-OE2 3.45Å; K214-T523 HydrophobicContact CB-CG2 3.77Å; K214-T523 HydrophobicContact CD-CG2 4.37Å; K214-T523 HydrophobicContact CG-CG2 4.46Å
215L95.5Very high96.1Very high25 Ų2521.6 Ų21.613%0.13110%0.1CC..EExtended strand (participates in β ladder)trans-84.9145.1174.7-75.8171.2000112A15 K16 Y193 C207 Q208 I269A15-L215 HydrophobicContact CB-CD2 4.31Å; K16-L215 HydrophobicContact CB-CD1 4.4Å; K16-L215 HydrophobicContact CG-CD1 4.09Å; Y193-L215 HydrophobicContact CD2-CD2 4.49Å; Y193-L215 HydrophobicContact CE2-CD2 4.39Å; C207-L215 CarbonylContact O-C 3.16Å; C207-L215 WeakPolarHBondContact O-CA 3.19Å; Q208-L215 HydrophobicContact CB-CD2 3.87Å; Q208-L215 HydrophobicContact CG-CD2 4.2Å; L215-I269 HydrophobicContact CB-CD1 4.11Å; L215-I269 HydrophobicContact CB-CG2 4.13Å
216Y97.6Very high96.1Very high6 Ų621.6 Ų21.62%0.02410%0.1CC..EExtended strand (participates in β ladder)trans-144.9165178.5-75.4-80.6000110.6C207 V209 K214 A254 Y255 V266 L267 E519C207-Y216 PolarHBondContact N-O 2.77Å; C207-Y216 PolarHBondContact O-N 2.88Å; C207-Y216 VanDerWaalsContact O-O 3.12Å; V209-Y216 HydrophobicContact CG2-CD2 3.9Å; V209-Y216 HydrophobicContact CG2-CE2 3.93Å; K214-Y216 HydrophobicContact CB-CD2 4.5Å; K214-Y216 HydrophobicContact CB-CE2 3.94Å; K214-Y216 HydrophobicContact CD-CE2 3.75Å; K214-Y216 WeakPolarHBondContact CD-OH 3.4Å; K214-Y216 WeakPolarHBondContact CE-OH 3.41Å; K214-Y216 HydrophobicContact CG-CD2 4.24Å; K214-Y216 HydrophobicContact CG-CE2 3.63Å; K214-Y216 PolarHBondContact NZ-OH 3.37Å; Y216-A254 HydrophobicContact CD1-CB 4.11Å; Y216-A254 HydrophobicContact CE1-CB 3.43Å; Y216-A254 VanDerWaalsContact CE1-CB 3.43Å; Y216-Y255 HydrophobicContact CE2-CE2 4.08Å; Y216-V266 HydrophobicContact CD1-CG1 3.97Å; Y216-V266 HydrophobicContact CD2-CG1 4.19Å; Y216-V266 HydrophobicContact CG-CG1 3.59Å; Y216-L267 WeakPolarHBondContact CD1-O 3.09Å; Y216-E519 VanDerWaalsContact CE2-OE2 3.26Å; Y216-E519 WeakPolarHBondContact CE2-OE2 3.15Å; Y216-E519 WeakPolarHBondContact OH-CB 3.26Å; Y216-E519 PolarHBondContact OH-OE2 2.91Å
217A97.2Very high96Very high10 Ų1023.5 Ų23.58%0.08311%0.108CC..EExtended strand (participates in β ladder)trans-97.1133.8165.100000109.5L196 V204 C205 V266 L267 I269L196-A217 HydrophobicContact CD1-CB 4.32Å; V204-A217 HydrophobicContact CG1-CB 4.07Å; C205-A217 CarbonylContact O-C 3.47Å; A217-V266 CarbonylContact O-C 3.5Å; A217-V266 WeakPolarHBondContact O-CA 3.45Å; A217-L267 PolarHBondContact N-O 3.5Å; A217-L267 PolarHBondContact O-N 3.08Å; A217-I269 HydrophobicContact CB-CG1 4.48Å
218C97.6Very high95.8Very high1 Ų129.7 Ų29.71%0.00714%0.135CC..EExtended strand (participates in β ladder)trans-111.5105.4176.8-176.40000109.7M192 V204 C205 C207 K220 L265M192-C218 HydrophobicContact CE-CB 4.02Å; V204-C218 WeakPolarHBondContact CA-O 3.28Å; C205-C218 PolarHBondContact N-O 2.86Å; C205-C218 PolarHBondContact O-N 2.81Å; C205-C218 PolarHBondContact SG-O 3.38Å; C207-C218 HydrophobicContact CB-CB 4.21Å; C218-K220 PolarHBondContact O-N 2.8Å; C218-L265 CarbonylContact C-O 3.16Å; C218-L265 WeakPolarHBondContact CA-O 3.44Å
219K96.1Very high95.6Very high20 Ų2035.9 Ų35.99%0.08716%0.158CC..EExtended strand (participates in β ladder)trans-81.3109171-175.5174.1-175.7-179.30108V204 E238 C264 L265 L267 D334V204-K219 HydrophobicContact CG2-CB 4.12Å; V204-K219 HydrophobicContact CG2-CG 4.06Å; K219-E238 IonicContact NZ-OE1 3.86Å; K219-E238 PolarHBondContact NZ-OE1 3.06Å; K219-E238 IonicContact NZ-OE2 3.21Å; K219-E238 PolarHBondContact NZ-OE2 3.19Å; K219-C264 WeakPolarHBondContact O-CA 3.44Å; K219-L265 HydrophobicContact CB-CB 4.36Å; K219-L265 PolarHBondContact N-O 2.93Å; K219-L265 PolarHBondContact O-N 2.8Å; K219-L267 HydrophobicContact CB-CD1 4.34Å; K219-D334 IonicContact NZ-OD1 3.49Å; K219-D334 PolarHBondContact NZ-OD1 2.78Å
220K96.2Very high95.4Very high54 Ų5443.2 Ų43.224%0.23519%0.192CC..EExtended strand (participates in β ladder)trans-95.7126.4177.5-61.2179.3-168.91530109.5G202 E203 C205 C218 A262 L263G202-K220 CarbonylContact C-O 3.22Å; G202-K220 VanDerWaalsContact CA-O 3.3Å; G202-K220 WeakPolarHBondContact CA-O 3.43Å; E203-K220 HydrophobicContact CG-CB 4.33Å; E203-K220 HydrophobicContact CG-CD 4.13Å; E203-K220 PolarHBondContact N-O 3.02Å; E203-K220 PolarHBondContact O-N 3.22Å; E203-K220 IonicContact OE1-NZ 3.65Å; E203-K220 PolarHBondContact OE1-NZ 3.04Å; C205-K220 WeakPolarHBondContact SG-CE 3.42Å; C205-K220 PolarHBondContact SG-NZ 2.94Å; C218-K220 PolarHBondContact O-N 2.8Å; K220-A262 HydrophobicContact CB-CB 4.27Å; K220-L263 WeakPolarHBondContact CA-O 3.4Å
221M95.3Very high95.2Very high2 Ų239.1 Ų39.11%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-113.8112.5177.9-61.3174.6-70.400108.9F201 K223 A235 A262 L263 L265 F507F201-M221 HydrophobicContact CB-CB 4.16Å; F201-M221 HydrophobicContact CB-CG 4.24Å; M221-K223 PolarHBondContact O-N 3.21Å; M221-A235 HydrophobicContact CE-CB 4.29Å; M221-A235 HydrophobicContact SD-CB 3.96Å; M221-A262 CarbonylContact O-C 3.52Å; M221-A262 WeakPolarHBondContact O-CA 3.5Å; M221-A262 WeakPolarHBondContact O-CB 3.42Å; M221-L263 HydrophobicContact CE-CB 4.14Å; M221-L263 PolarHBondContact N-O 2.83Å; M221-L263 PolarHBondContact O-N 3.46Å; M221-L265 HydrophobicContact CE-CD1 3.93Å; M221-L265 HydrophobicContact CE-CG 3.86Å; M221-F507 HydrophobicContact CE-CE1 4.31Å; M221-F507 HydrophobicContact CE-CE2 4.05Å; M221-F507 HydrophobicContact CE-CZ 3.48Å; M221-F507 VanDerWaalsContact CE-CZ 3.48Å
222E95.3Very high95Very high65 Ų6540.2 Ų40.230%0.30418%0.181SC..EExtended strand (participates in β ladder)trans-64.6121-176.4-71.1173.3-167.200111.2F201 K224 R225 M226F201-E222 PolarHBondContact O-N 3Å; E222-K224 PolarHBondContact O-N 3.37Å; E222-R225 HydrophobicContact CB-CB 3.79Å; E222-R225 PolarHBondContact O-N 3.18Å; E222-R225 VanDerWaalsContact O-N 3.09Å; E222-R225 IonicContact OE2-CZ 3.87Å; E222-R225 IonicContact OE2-NE 2.71Å; E222-R225 PolarHBondContact OE2-NE 3.03Å; E222-R225 IonicContact OE2-NH2 3.33Å; E222-R225 PolarHBondContact OE2-NH2 3.27Å; E222-M226 WeakPolarHBondContact O-CB 3.01Å; E222-M226 PolarHBondContact O-N 2.84Å
223K95.7Very high94.7Very high8 Ų846.3 Ų46.34%0.03521%0.214CC..Hα-helixtrans-55.1-48.6-176.7-74.9174.2168.8-1800112.3M221 R225 M226 K227 E258 T259 D261 L263 L496 Y504M221-K223 PolarHBondContact O-N 3.21Å; K223-R225 VanDerWaalsContact C-N 3.34Å; K223-R225 PolarHBondContact O-N 3.08Å; K223-M226 PolarHBondContact O-N 2.9Å; K223-K227 PolarHBondContact O-N 2.86Å; K223-E258 WeakPolarHBondContact CE-OE2 3.47Å; K223-E258 IonicContact NZ-OE2 3.67Å; K223-E258 PolarHBondContact NZ-OE2 2.93Å; K223-T259 PolarHBondContact NZ-O 3.31Å; K223-D261 PolarHBondContact N-O 2.99Å; K223-L263 HydrophobicContact CG-CG 4.46Å; K223-L496 HydrophobicContact CB-CD1 3.92Å; K223-L496 HydrophobicContact CB-CD2 4.43Å; K223-L496 HydrophobicContact CD-CD1 4.07Å; K223-Y504 HydrophobicContact CB-CE2 4.49Å; K223-Y504 HydrophobicContact CD-CD2 4.05Å; K223-Y504 HydrophobicContact CD-CE1 4.46Å; K223-Y504 HydrophobicContact CD-CE2 3.59Å; K223-Y504 HydrophobicContact CG-CE1 4.07Å; K223-Y504 HydrophobicContact CG-CE2 4.01Å
224K95.2Very high94.5Very high90 Ų9050 Ų5039%0.39123%0.23SC..Hα-helixtrans-64.4-36.1179.4-69.5-177.8176.2176.10112.9E222 K228 I491 V494E222-K224 PolarHBondContact O-N 3.37Å; K224-K228 WeakPolarHBondContact O-CB 3.48Å; K224-K228 PolarHBondContact O-N 3.16Å; K224-I491 HydrophobicContact CB-CB 4.08Å; K224-I491 HydrophobicContact CB-CG2 4.02Å; K224-V494 HydrophobicContact CB-CB 4.39Å; K224-V494 HydrophobicContact CB-CG1 4.34Å; K224-V494 HydrophobicContact CG-CB 4.49Å; K224-V494 HydrophobicContact CG-CG1 4.43Å
225R93.9Very high94.4Very high9 Ų948 Ų483%0.03422%0.222CC..Hα-helixtrans-71.9-42178.7-174.8178.1-59.7-73.8-22.5111.2E222 K223 K228 R229 F488 S489 I491E222-R225 HydrophobicContact CB-CB 3.79Å; E222-R225 PolarHBondContact O-N 3.18Å; E222-R225 VanDerWaalsContact O-N 3.09Å; E222-R225 IonicContact OE2-CZ 3.87Å; E222-R225 IonicContact OE2-NE 2.71Å; E222-R225 PolarHBondContact OE2-NE 3.03Å; E222-R225 IonicContact OE2-NH2 3.33Å; E222-R225 PolarHBondContact OE2-NH2 3.27Å; K223-R225 VanDerWaalsContact C-N 3.34Å; K223-R225 PolarHBondContact O-N 3.08Å; R225-K228 PolarHBondContact O-N 2.84Å; R225-R229 PolarHBondContact O-N 3.42Å; R225-R229 VanDerWaalsContact O-N 3.13Å; R225-F488 VanDerWaalsContact CZ-CD1 3.48Å; R225-S489 PolarHBondContact NH2-O 3.49Å; R225-I491 HydrophobicContact CB-CG1 4.15Å
226M93.9Very high94.3Very high1 Ų147.7 Ų47.71%0.00522%0.22CC..Hα-helixtrans-60.7-48.4175.9-174177.557.700110.6E222 K223 K228 R229 H230 A231 E232 A235 L263 F503 Y504E222-M226 WeakPolarHBondContact O-CB 3.01Å; E222-M226 PolarHBondContact O-N 2.84Å; K223-M226 PolarHBondContact O-N 2.9Å; M226-K228 PolarHBondContact O-N 3.43Å; M226-R229 CarbonylContact O-C 3.34Å; M226-R229 PolarHBondContact O-N 3.35Å; M226-R229 VanDerWaalsContact O-N 3.11Å; M226-H230 PolarHBondContact O-N 3.5Å; M226-A231 HydrophobicContact CG-CB 4.02Å; M226-A231 PolarHBondContact O-N 2.97Å; M226-A231 VanDerWaalsContact O-N 3.09Å; M226-E232 HydrophobicContact CE-CG 4.2Å; M226-E232 HydrophobicContact CG-CG 4.18Å; M226-E232 HydrophobicContact SD-CG 4.38Å; M226-A235 HydrophobicContact SD-CB 3.72Å; M226-L263 HydrophobicContact CE-CD1 3.64Å; M226-L263 HydrophobicContact CE-CG 4.38Å; M226-L263 HydrophobicContact SD-CD1 4.18Å; M226-F503 HydrophobicContact CE-CD1 4.43Å; M226-F503 HydrophobicContact CE-CE1 3.83Å; M226-F503 HydrophobicContact SD-CE1 4.24Å; M226-Y504 HydrophobicContact CE-CE1 3.7Å
227K94.9Very high94.1Very high39 Ų3951.6 Ų51.617%0.1724%0.239CC..Hα-helixtrans-58.6-46.8175.3-175.3169.2-170.1169.50112.7K223 R229 H230 E232 V494 T495 L496 D497 D500K223-K227 PolarHBondContact O-N 2.86Å; K227-R229 PolarHBondContact O-N 3.25Å; K227-H230 PolarHBondContact O-N 3.04Å; K227-E232 WeakPolarHBondContact CA-OE1 3.48Å; K227-V494 HydrophobicContact CB-CG1 4.12Å; K227-V494 HydrophobicContact CD-CG1 3.87Å; K227-V494 HydrophobicContact CG-CG1 4.07Å; K227-T495 PolarHBondContact NZ-O 3.39Å; K227-L496 HydrophobicContact CB-CD2 4.48Å; K227-L496 HydrophobicContact CD-CD2 3.91Å; K227-D497 IonicContact NZ-OD2 3.68Å; K227-D497 PolarHBondContact NZ-OD2 3.06Å; K227-D500 WeakPolarHBondContact CD-OD2 3.4Å; K227-D500 WeakPolarHBondContact CE-OD2 3.39Å; K227-D500 IonicContact NZ-OD1 2.67Å; K227-D500 IonicContact NZ-OD2 2.94Å; K227-D500 PolarHBondContact NZ-OD2 3.04Å
228K93.8Very high93.9Very high131 Ų13151.5 Ų51.557%0.5724%0.237SC*.Hα-helixtrans-58.8-30.3177.5-174.1174.2179.1175.20113.1K224 R225 M226 I491 V494K224-K228 WeakPolarHBondContact O-CB 3.48Å; K224-K228 PolarHBondContact O-N 3.16Å; R225-K228 PolarHBondContact O-N 2.84Å; M226-K228 PolarHBondContact O-N 3.43Å; K228-I491 HydrophobicContact CD-CD1 3.91Å; K228-I491 HydrophobicContact CD-CG2 4.06Å; K228-V494 HydrophobicContact CB-CG2 4.22Å
229R92.4Very high93.7Very high133 Ų13351.7 Ų51.750%0.50224%0.238SC..THydrogen-bonded Turntrans-100.91.5-177.2-70.6-174.1174.3175.10.4113.7G200 F201 R225 M226 K227 A231G200-R229 PolarHBondContact O-NH1 2.74Å; F201-R229 HydrophobicContact CE1-CB 4.38Å; R225-R229 PolarHBondContact O-N 3.42Å; R225-R229 VanDerWaalsContact O-N 3.13Å; M226-R229 CarbonylContact O-C 3.34Å; M226-R229 PolarHBondContact O-N 3.35Å; M226-R229 VanDerWaalsContact O-N 3.11Å; K227-R229 PolarHBondContact O-N 3.25Å; R229-A231 HydrophobicContact CB-CB 4.29Å; R229-A231 PolarHBondContact O-N 3.08Å
230H93.2Very high93.7Very high158 Ų15854.2 Ų54.273%0.73125%0.25SC*.THydrogen-bonded Turntrans52.342.8-174.6-53.5-63.5000112.7M226 K227 E232M226-H230 PolarHBondContact O-N 3.5Å; K227-H230 PolarHBondContact O-N 3.04Å; H230-E232 WeakPolarHBondContact CA-OE2 3.3Å
231A92.2Very high93.6Very high7 Ų752 Ų526%0.05824%0.241CC..  trans-102.111.2-171.800000114.4F201 M226 R229 N233 M234 A235F201-A231 HydrophobicContact CD1-CB 4.08Å; F201-A231 HydrophobicContact CE1-CB 3.23Å; F201-A231 HydrophobicContact CE2-CB 4.27Å; F201-A231 HydrophobicContact CZ-CB 3.36Å; M226-A231 HydrophobicContact CG-CB 4.02Å; M226-A231 PolarHBondContact O-N 2.97Å; M226-A231 VanDerWaalsContact O-N 3.09Å; R229-A231 HydrophobicContact CB-CB 4.29Å; R229-A231 PolarHBondContact O-N 3.08Å; A231-N233 PolarHBondContact O-N 3.5Å; A231-M234 PolarHBondContact O-N 3Å; A231-A235 PolarHBondContact O-N 3.13Å
232E93Very high93.6Very high34 Ų3452.1 Ų52.116%0.15924%0.241CC..Hα-helixtrans-58.4-46.9-178.7-61.888.3163.500111.4M226 K227 H230 M234 A235 M236 F503M226-E232 HydrophobicContact CE-CG 4.2Å; M226-E232 HydrophobicContact CG-CG 4.18Å; M226-E232 HydrophobicContact SD-CG 4.38Å; K227-E232 WeakPolarHBondContact CA-OE1 3.48Å; H230-E232 WeakPolarHBondContact CA-OE2 3.3Å; E232-M234 VanDerWaalsContact C-N 3.3Å; E232-M234 PolarHBondContact O-N 3.39Å; E232-A235 PolarHBondContact O-N 2.98Å; E232-M236 PolarHBondContact O-N 3.38Å; E232-F503 HydrophobicContact CB-CD1 4.28Å; E232-F503 HydrophobicContact CB-CD2 4.24Å; E232-F503 HydrophobicContact CB-CE1 3.92Å; E232-F503 HydrophobicContact CB-CE2 3.83Å; E232-F503 HydrophobicContact CB-CG 4.46Å; E232-F503 HydrophobicContact CB-CZ 3.7Å; E232-F503 HydrophobicContact CG-CD1 4.27Å; E232-F503 HydrophobicContact CG-CE1 4.18Å; E232-F503 HydrophobicContact CG-CZ 4.46Å; E232-F503 WeakPolarHBondContact O-CE2 3.29Å; E232-F503 WeakPolarHBondContact O-CZ 3.47Å
233N90.5Very high93.5Very high129 Ų12952.7 Ų52.769%0.6924%0.244SC*.Hα-helixtrans-63.3-36.9178.5-70.6-22.4000112.3A231 M236 M237A231-N233 PolarHBondContact O-N 3.5Å; N233-M236 PolarHBondContact O-N 3.47Å; N233-M237 VanDerWaalsContact O-CB 3.25Å; N233-M237 WeakPolarHBondContact O-CB 3.48Å; N233-M237 PolarHBondContact O-N 3.3Å
234M89.8Confident93.2Very high86 Ų8658.3 Ų58.342%0.42427%0.265SS..Hα-helixtrans-66.9-42.8177.3-175.2-179.7-71.200111.1F201 A231 E232 M237 E238F201-M234 HydrophobicContact CE2-SD 3.96Å; F201-M234 HydrophobicContact CZ-SD 3.93Å; A231-M234 PolarHBondContact O-N 3Å; E232-M234 VanDerWaalsContact C-N 3.3Å; E232-M234 PolarHBondContact O-N 3.39Å; M234-M237 PolarHBondContact O-N 3.37Å; M234-E238 PolarHBondContact O-N 3.35Å
235A93.2Very high93.1Very high1 Ų154.2 Ų54.21%0.00825%0.248CC..Hα-helixtrans-64.4-41.517600000112M221 M226 A231 E232 K239 F507M221-A235 HydrophobicContact CE-CB 4.29Å; M221-A235 HydrophobicContact SD-CB 3.96Å; M226-A235 HydrophobicContact SD-CB 3.72Å; A231-A235 PolarHBondContact O-N 3.13Å; E232-A235 PolarHBondContact O-N 2.98Å; A235-K239 PolarHBondContact O-N 3.36Å; A235-K239 VanDerWaalsContact O-N 3.07Å; A235-F507 HydrophobicContact CB-CE2 4.36Å
236M93.8Very high93Very high18 Ų1857.5 Ų57.59%0.08927%0.266CS..Hα-helixtrans-66.1-41.3176.6-167.769.1-153.600111.7E232 N233 K239 E240 F503 K506 F507E232-M236 PolarHBondContact O-N 3.38Å; N233-M236 PolarHBondContact O-N 3.47Å; M236-K239 HydrophobicContact CE-CD 3.89Å; M236-K239 WeakPolarHBondContact O-CB 3.46Å; M236-K239 PolarHBondContact O-N 3.22Å; M236-K239 HydrophobicContact SD-CD 4.15Å; M236-E240 HydrophobicContact CE-CG 3.79Å; M236-E240 VanDerWaalsContact CE-OE1 3.26Å; M236-E240 WeakPolarHBondContact CE-OE1 3.38Å; M236-E240 HydrophobicContact CG-CG 4.46Å; M236-E240 WeakPolarHBondContact O-CG 3.36Å; M236-E240 PolarHBondContact O-N 3.44Å; M236-F503 HydrophobicContact CB-CE2 3.89Å; M236-F503 HydrophobicContact CB-CZ 4.16Å; M236-F503 HydrophobicContact CG-CE2 4.43Å; M236-K506 HydrophobicContact CE-CG 4.42Å; M236-F507 HydrophobicContact SD-CB 4.4Å; M236-F507 HydrophobicContact SD-CD2 4.02Å
237M92.2Very high93Very high88 Ų8858 Ų5843%0.43327%0.269SS..Hα-helixtrans-62.3-46176.7-170.9169.4-70.600111.2N233 M234 K239 E240 T241 I339N233-M237 VanDerWaalsContact O-CB 3.25Å; N233-M237 WeakPolarHBondContact O-CB 3.48Å; N233-M237 PolarHBondContact O-N 3.3Å; M234-M237 PolarHBondContact O-N 3.37Å; M237-K239 VanDerWaalsContact C-N 3.31Å; M237-K239 PolarHBondContact O-N 2.95Å; M237-E240 PolarHBondContact O-N 3.2Å; M237-E240 VanDerWaalsContact O-N 3.17Å; M237-T241 WeakPolarHBondContact O-CB 3.3Å; M237-T241 PolarHBondContact O-N 3.16Å; M237-T241 PolarHBondContact O-OG1 3.09Å; M237-I339 HydrophobicContact SD-CG2 3.75Å
238E93.3Very high93.1Very high7 Ų761.3 Ų61.33%0.03328%0.281CS..Hα-helixtrans-56.2-46.1174.7-174.7177.3-178.200111.3K219 M234 L242 L265 L335K219-E238 IonicContact NZ-OE1 3.86Å; K219-E238 PolarHBondContact NZ-OE1 3.06Å; K219-E238 IonicContact NZ-OE2 3.21Å; K219-E238 PolarHBondContact NZ-OE2 3.19Å; M234-E238 PolarHBondContact O-N 3.35Å; E238-L242 HydrophobicContact CG-CD1 3.94Å; E238-L242 WeakPolarHBondContact O-CB 3.31Å; E238-L242 WeakPolarHBondContact O-CD1 3.31Å; E238-L242 VanDerWaalsContact O-CG 3.28Å; E238-L242 WeakPolarHBondContact O-CG 3.47Å; E238-L242 PolarHBondContact O-N 3.47Å; E238-L265 HydrophobicContact CG-CD1 4.39Å; E238-L335 HydrophobicContact CG-CB 4.45Å
239K94.9Very high93.3Very high6 Ų655.4 Ų55.43%0.02626%0.255CS..Hα-helixtrans-58.3-51.6175179.3-158.6160.9-175.70111.3A235 M236 M237 T241 L242 Q243 L253 T256 L265 K506 F507 S509A235-K239 PolarHBondContact O-N 3.36Å; A235-K239 VanDerWaalsContact O-N 3.07Å; M236-K239 HydrophobicContact CE-CD 3.89Å; M236-K239 WeakPolarHBondContact O-CB 3.46Å; M236-K239 PolarHBondContact O-N 3.22Å; M236-K239 HydrophobicContact SD-CD 4.15Å; M237-K239 VanDerWaalsContact C-N 3.31Å; M237-K239 PolarHBondContact O-N 2.95Å; K239-T241 VanDerWaalsContact C-N 3.34Å; K239-T241 PolarHBondContact O-N 2.84Å; K239-L242 PolarHBondContact O-N 3.38Å; K239-Q243 VanDerWaalsContact CE-OE1 3.3Å; K239-Q243 WeakPolarHBondContact O-CG 3.24Å; K239-Q243 PolarHBondContact O-N 2.99Å; K239-L253 HydrophobicContact CG-CD2 4.12Å; K239-T256 HydrophobicContact CD-CG2 4.22Å; K239-T256 HydrophobicContact CG-CG2 4.08Å; K239-L265 HydrophobicContact CB-CD2 4.16Å; K239-L265 HydrophobicContact CG-CD2 4.2Å; K239-K506 PolarHBondContact NZ-O 3.19Å; K239-F507 HydrophobicContact CB-CD2 4.47Å; K239-F507 HydrophobicContact CB-CE2 3.86Å; K239-F507 HydrophobicContact CB-CZ 4.31Å; K239-F507 HydrophobicContact CD-CD2 4.04Å; K239-F507 HydrophobicContact CD-CE2 4.13Å; K239-F507 HydrophobicContact CD-CG 4.34Å; K239-F507 HydrophobicContact CD-CZ 4.48Å; K239-F507 WeakPolarHBondContact CD-O 3.16Å; K239-F507 VanDerWaalsContact CE-O 3.25Å; K239-F507 WeakPolarHBondContact CE-O 3.23Å; K239-F507 HydrophobicContact CG-CE2 4.39Å; K239-F507 PolarHBondContact NZ-O 2.91Å; K239-S509 VanDerWaalsContact CE-OG 3.24Å; K239-S509 WeakPolarHBondContact CE-OG 3.39Å; K239-S509 PolarHBondContact NZ-OG 3.17Å
240E94.3Very high93.5Very high72 Ų7249.1 Ų49.134%0.33623%0.231SC..Hα-helixtrans-63.2-40.2-176.6-73.1176.5177.300111.7M236 M237 Q243 R244M236-E240 HydrophobicContact CE-CG 3.79Å; M236-E240 VanDerWaalsContact CE-OE1 3.26Å; M236-E240 WeakPolarHBondContact CE-OE1 3.38Å; M236-E240 HydrophobicContact CG-CG 4.46Å; M236-E240 WeakPolarHBondContact O-CG 3.36Å; M236-E240 PolarHBondContact O-N 3.44Å; M237-E240 PolarHBondContact O-N 3.2Å; M237-E240 VanDerWaalsContact O-N 3.17Å; E240-Q243 PolarHBondContact O-N 2.77Å; E240-R244 WeakPolarHBondContact O-CG 3.28Å; E240-R244 PolarHBondContact O-N 2.92Å
241T94.6Very high93.7Very high8 Ų841.8 Ų41.85%0.04920%0.198CC..Hα-helixtrans-62.5-48.1174-540000111M237 K239 Q243 R244 V245 I312 L335 A338M237-T241 WeakPolarHBondContact O-CB 3.3Å; M237-T241 PolarHBondContact O-N 3.16Å; M237-T241 PolarHBondContact O-OG1 3.09Å; K239-T241 VanDerWaalsContact C-N 3.34Å; K239-T241 PolarHBondContact O-N 2.84Å; T241-Q243 PolarHBondContact O-N 3Å; T241-R244 PolarHBondContact O-N 3.36Å; T241-R244 VanDerWaalsContact O-N 3.1Å; T241-V245 WeakPolarHBondContact O-CG2 3.33Å; T241-V245 PolarHBondContact O-N 3.18Å; T241-V245 VanDerWaalsContact O-N 3.1Å; T241-I312 HydrophobicContact CG2-CD1 3.79Å; T241-I312 HydrophobicContact CG2-CG1 4.3Å; T241-I312 HydrophobicContact CG2-CG2 3.7Å; T241-L335 HydrophobicContact CG2-CB 4.5Å; T241-L335 HydrophobicContact CG2-CD2 3.7Å; T241-A338 HydrophobicContact CG2-CB 3.99Å
242L95.1Very high93.9Very high4 Ų442.3 Ų42.32%0.02120%0.2CC..Hα-helixtrans-62.8-26.3177-76.6166.6000113.5E238 K239 V251 L253 L265 L267 L335E238-L242 HydrophobicContact CG-CD1 3.94Å; E238-L242 WeakPolarHBondContact O-CB 3.31Å; E238-L242 WeakPolarHBondContact O-CD1 3.31Å; E238-L242 VanDerWaalsContact O-CG 3.28Å; E238-L242 WeakPolarHBondContact O-CG 3.47Å; E238-L242 PolarHBondContact O-N 3.47Å; K239-L242 PolarHBondContact O-N 3.38Å; L242-V251 HydrophobicContact CD2-CG2 4.19Å; L242-V251 WeakPolarHBondContact CD2-O 2.91Å; L242-L253 HydrophobicContact CB-CB 3.85Å; L242-L253 HydrophobicContact CB-CD2 4.15Å; L242-L265 HydrophobicContact CD1-CD1 4.08Å; L242-L267 HydrophobicContact CD1-CD2 3.77Å; L242-L267 HydrophobicContact CD2-CD2 4.35Å; L242-L335 HydrophobicContact CD2-CD1 4.08Å; L242-L335 HydrophobicContact CD2-CD2 4.04Å; L242-L335 HydrophobicContact CD2-CG 4.46Å; L242-L335 HydrophobicContact CG-CB 4.48Å; L242-L335 HydrophobicContact CG-CD2 4.36Å
243Q93.2Very high94.1Very high78 Ų7840.8 Ų40.836%0.36419%0.193SC..Hα-helixtrans-76.9-28.2174.6-74.7-174.7-51.800113.1K239 E240 T241 L253 S509K239-Q243 VanDerWaalsContact CE-OE1 3.3Å; K239-Q243 WeakPolarHBondContact O-CG 3.24Å; K239-Q243 PolarHBondContact O-N 2.99Å; E240-Q243 PolarHBondContact O-N 2.77Å; T241-Q243 PolarHBondContact O-N 3Å; Q243-L253 HydrophobicContact CG-CD2 3.74Å; Q243-S509 PolarHBondContact NE2-OG 3.4Å
244R90.5Very high94.5Very high125 Ų12534.7 Ų34.747%0.47216%0.16SC..Hα-helixtrans-80.7-28.6176.7-69179.4-174.8-158.32.5112.3E240 T241 I312 Y340E240-R244 WeakPolarHBondContact O-CG 3.28Å; E240-R244 PolarHBondContact O-N 2.92Å; T241-R244 PolarHBondContact O-N 3.36Å; T241-R244 VanDerWaalsContact O-N 3.1Å; R244-I312 HydrophobicContact CB-CD1 4.28Å; R244-Y340 VanDerWaalsContact NH1-CD2 3.31Å
245V92.5Very high94.9Very high4 Ų430.8 Ų30.82%0.02414%0.141CC..  trans-86.2116.7180177.80000110.1T241 V250 N252 M307 I312 L335T241-V245 WeakPolarHBondContact O-CG2 3.33Å; T241-V245 PolarHBondContact O-N 3.18Å; T241-V245 VanDerWaalsContact O-N 3.1Å; V245-V250 HydrophobicContact CG1-CB 3.59Å; V245-V250 HydrophobicContact CG1-CG1 3.74Å; V245-V250 HydrophobicContact CG1-CG2 3.86Å; V245-N252 PolarHBondContact O-OD1 2.96Å; V245-M307 HydrophobicContact CG2-CG 4.34Å; V245-I312 HydrophobicContact CG2-CD1 3.94Å; V245-L335 HydrophobicContact CG2-CD2 4.44Å
246N91.3Very high95.1Very high79 Ų7930.8 Ų30.842%0.42214%0.141SC..  trans-123.988.6167.5177.746.5000108.3N252 H306N246-N252 WeakPolarHBondContact CA-OD1 3.4Å; N246-H306 PolarHBondContact O-CE1 3Å
247S95Very high95.3Very high11 Ų1130.2 Ų30.28%0.07714%0.138CC..  trans-134149.2-174.9-178.30000111.3F249 V250 N252 R331S247-F249 PolarHBondContact O-N 3.31Å; S247-F249 PolarHBondContact OG-N 3.48Å; S247-F249 VanDerWaalsContact OG-N 3.08Å; S247-V250 VanDerWaalsContact O-O 3.06Å; S247-N252 PolarHBondContact N-OD1 3.19Å; S247-N252 PolarHBondContact O-ND2 3.41Å; S247-N252 PolarHBondContact O-OD1 2.94Å; S247-R331 PolarHBondContact O-NH1 2.95Å
248R95.6Very high95.6Very high108 Ų10829.8 Ų29.841%0.40814%0.135SC..SBendtrans-67.7-26.3167.6178.2175.1-79.9138.8-16.5111.4R331 E462 A463R248-R331 VanDerWaalsContact O-CD 3.26Å; R248-R331 WeakPolarHBondContact O-CD 3.48Å; R248-R331 VanDerWaalsContact O-CG 3.25Å; R248-R331 WeakPolarHBondContact O-CG 3.17Å; R248-R331 PolarHBondContact O-NE 3.01Å; R248-R331 PolarHBondContact O-NH1 3.32Å; R248-R331 VanDerWaalsContact O-NH1 3.14Å; R248-E462 PolarHBondContact NH1-O 3.38Å; R248-A463 PolarHBondContact NH1-O 2.79Å; R248-A463 PolarHBondContact NH2-O 3.18Å
249F98.3Very high95.7Very high8 Ų831.4 Ų31.44%0.03515%0.145CC..SBendtrans-101.46.6-171.7-52.2-69.4000113.3S247 E299 L302 R331 I332S247-F249 PolarHBondContact O-N 3.31Å; S247-F249 PolarHBondContact OG-N 3.48Å; S247-F249 VanDerWaalsContact OG-N 3.08Å; F249-E299 WeakPolarHBondContact CB-O 3.43Å; F249-E299 HydrophobicContact CD1-CB 3.81Å; F249-E299 HydrophobicContact CD1-CG 4.12Å; F249-E299 HydrophobicContact CE1-CB 4.09Å; F249-E299 HydrophobicContact CE1-CG 3.9Å; F249-L302 HydrophobicContact CD1-CB 4.44Å; F249-L302 HydrophobicContact CD2-CB 3.36Å; F249-L302 HydrophobicContact CD2-CD1 4.2Å; F249-L302 HydrophobicContact CD2-CG 4.4Å; F249-L302 HydrophobicContact CE1-CD1 4.1Å; F249-L302 HydrophobicContact CE2-CB 3.53Å; F249-L302 HydrophobicContact CE2-CD1 3.47Å; F249-L302 VanDerWaalsContact CE2-CD1 3.47Å; F249-L302 HydrophobicContact CE2-CG 4.11Å; F249-L302 HydrophobicContact CG-CB 3.86Å; F249-L302 HydrophobicContact CZ-CB 4.15Å; F249-L302 HydrophobicContact CZ-CD1 3.41Å; F249-L302 VanDerWaalsContact CZ-CD1 3.41Å; F249-L302 HydrophobicContact CZ-CG 4.43Å; F249-R331 CarbonylContact O-C 3.39Å; F249-R331 WeakPolarHBondContact O-CA 3.13Å; F249-I332 PolarHBondContact O-N 2.89Å
250V98.1Very high95.7Very high0 Ų039.6 Ų39.60%018%0.181CC..BIsolated β-bridgetrans-129.8146172.4-170.60000108.4V245 S247 N252 M307 R331 I332 L335V245-V250 HydrophobicContact CG1-CB 3.59Å; V245-V250 HydrophobicContact CG1-CG1 3.74Å; V245-V250 HydrophobicContact CG1-CG2 3.86Å; S247-V250 VanDerWaalsContact O-O 3.06Å; V250-N252 PolarHBondContact O-N 2.9Å; V250-M307 HydrophobicContact CG2-CG 4.2Å; V250-M307 HydrophobicContact CG2-SD 4.27Å; V250-R331 PolarHBondContact O-NH1 3.18Å; V250-I332 WeakPolarHBondContact CA-O 3.3Å; V250-I332 HydrophobicContact CG1-CB 4.46Å; V250-I332 HydrophobicContact CG2-CB 4.35Å; V250-L335 HydrophobicContact CG1-CD1 4Å; V250-L335 HydrophobicContact CG1-CD2 4.24Å
251V97Very high95.8Very high5 Ų541 Ų413%0.0319%0.19CC..PPolyproline II helixtrans-63.2130.7173.2-62.20000109.8L242 M270 R331 I332 L335L242-V251 HydrophobicContact CD2-CG2 4.19Å; L242-V251 WeakPolarHBondContact CD2-O 2.91Å; V251-M270 HydrophobicContact CG1-CG 4.01Å; V251-M270 HydrophobicContact CG1-SD 4.48Å; V251-R331 HydrophobicContact CG1-CB 4.18Å; V251-I332 PolarHBondContact N-O 2.88Å; V251-L335 HydrophobicContact CG2-CD1 4.48Å
252N96.1Very high95.8Very high18 Ų1841 Ų4110%0.09619%0.191CC..PPolyproline II helixtrans-97.4143.8-178.3-64.7-56000110.1V245 N246 S247 V250 L267 T268 R331 P515V245-N252 PolarHBondContact O-OD1 2.96Å; N246-N252 WeakPolarHBondContact CA-OD1 3.4Å; S247-N252 PolarHBondContact N-OD1 3.19Å; S247-N252 PolarHBondContact O-ND2 3.41Å; S247-N252 PolarHBondContact O-OD1 2.94Å; V250-N252 PolarHBondContact O-N 2.9Å; N252-L267 CarbonylContact O-C 3.6Å; N252-L267 VanDerWaalsContact O-CA 3.3Å; N252-L267 WeakPolarHBondContact O-CA 3.4Å; N252-T268 PolarHBondContact N-OG1 3.41Å; N252-T268 PolarHBondContact O-N 3.49Å; N252-T268 PolarHBondContact O-OG1 2.92Å; N252-R331 PolarHBondContact ND2-NH1 2.91Å; N252-P515 HydrophobicContact CB-CG 4.24Å
253L97.7Very high95.9Very high2 Ų240.8 Ų40.81%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-85.7121.2172175.769.2000110.3K239 L242 Q243 Y255 T256 L265 L267 V512 P515K239-L253 HydrophobicContact CG-CD2 4.12Å; L242-L253 HydrophobicContact CB-CB 3.85Å; L242-L253 HydrophobicContact CB-CD2 4.15Å; Q243-L253 HydrophobicContact CG-CD2 3.74Å; L253-Y255 VanDerWaalsContact CD1-O 3.28Å; L253-Y255 WeakPolarHBondContact CD1-O 3.21Å; L253-T256 HydrophobicContact CD1-CG2 3.99Å; L253-T256 HydrophobicContact CD2-CG2 3.72Å; L253-T256 HydrophobicContact CG-CG2 4.2Å; L253-L265 HydrophobicContact CD1-CB 3.92Å; L253-L265 HydrophobicContact CD1-CD2 3.77Å; L253-L265 HydrophobicContact CD1-CG 4.43Å; L253-L265 HydrophobicContact CD2-CD2 4.3Å; L253-L267 HydrophobicContact CB-CD2 4.08Å; L253-L267 HydrophobicContact CD1-CD2 3.71Å; L253-V512 HydrophobicContact CD2-CG2 4.14Å; L253-V512 HydrophobicContact CG-CG2 3.92Å; L253-V512 VanDerWaalsContact O-CB 3.23Å; L253-V512 WeakPolarHBondContact O-CB 3.43Å; L253-V512 VanDerWaalsContact O-CG2 3.31Å; L253-V512 WeakPolarHBondContact O-CG2 3.4Å; L253-P515 WeakPolarHBondContact O-CG 3.45Å
254A97.7Very high96.1Very high0 Ų037.1 Ų37.10%017%0.173CC..EExtended strand (participates in β ladder)trans-99.2-35.7177.800000113.2Y216 V266 A511 V512 P515Y216-A254 HydrophobicContact CD1-CB 4.11Å; Y216-A254 HydrophobicContact CE1-CB 3.43Å; Y216-A254 VanDerWaalsContact CE1-CB 3.43Å; A254-V266 PolarHBondContact N-O 3.24Å; A254-A511 CarbonylContact O-C 3.56Å; A254-A511 WeakPolarHBondContact O-CA 3.43Å; A254-V512 PolarHBondContact O-N 3.39Å; A254-P515 HydrophobicContact CB-CB 3.96Å
255Y98.5Very high96.5Very high5 Ų531.2 Ų31.22%0.0215%0.151CC..EExtended strand (participates in β ladder)trans-145.5150.9-179.4-50.9-98.1000112.9V185 F190 V209 Y216 L253 V266 G510 A511 W516 E519V185-Y255 HydrophobicContact CG1-CD1 4.1Å; V185-Y255 HydrophobicContact CG2-CD1 3.81Å; V185-Y255 HydrophobicContact CG2-CE1 4.43Å; F190-Y255 HydrophobicContact CE1-CD2 4.08Å; F190-Y255 HydrophobicContact CE1-CE2 4.36Å; F190-Y255 HydrophobicContact CE1-CG 4.38Å; F190-Y255 HydrophobicContact CZ-CD1 4.28Å; F190-Y255 HydrophobicContact CZ-CD2 4.04Å; F190-Y255 AromaticContact CZ-CG 3.88Å; F190-Y255 HydrophobicContact CZ-CG 3.88Å; V209-Y255 HydrophobicContact CG2-CE2 3.95Å; Y216-Y255 HydrophobicContact CE2-CE2 4.08Å; L253-Y255 VanDerWaalsContact CD1-O 3.28Å; L253-Y255 WeakPolarHBondContact CD1-O 3.21Å; Y255-V266 HydrophobicContact CD2-CB 3.93Å; Y255-V266 HydrophobicContact CD2-CG1 3.77Å; Y255-V266 HydrophobicContact CD2-CG2 4.49Å; Y255-V266 HydrophobicContact CG-CB 4.33Å; Y255-V266 PolarHBondContact N-O 3.16Å; Y255-V266 PolarHBondContact O-N 3.36Å; Y255-G510 CarbonylContact C-O 3.58Å; Y255-G510 WeakPolarHBondContact CA-O 3.43Å; Y255-A511 HydrophobicContact CD1-CB 3.81Å; Y255-A511 HydrophobicContact CE1-CB 3.86Å; Y255-W516 AromaticContact CE1-CD1 3.51Å; Y255-W516 AromaticContact CZ-CD1 3.64Å; Y255-E519 WeakPolarHBondContact CE2-OE2 3.21Å; Y255-E519 PolarHBondContact OH-OE1 3.02Å; Y255-E519 PolarHBondContact OH-OE2 2.64Å
256T98.2Very high96.7Very high1 Ų131 Ų311%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-128.4132.5167.857.50000109.5K239 L253 C264 L265 S509 G510K239-T256 HydrophobicContact CD-CG2 4.22Å; K239-T256 HydrophobicContact CG-CG2 4.08Å; L253-T256 HydrophobicContact CD1-CG2 3.99Å; L253-T256 HydrophobicContact CD2-CG2 3.72Å; L253-T256 HydrophobicContact CG-CG2 4.2Å; T256-C264 WeakPolarHBondContact CA-O 3.46Å; T256-L265 HydrophobicContact CG2-CD2 3.78Å; T256-S509 PolarHBondContact OG1-N 3.45Å; T256-S509 PolarHBondContact OG1-OG 3.13Å; T256-S509 VanDerWaalsContact OG1-OG 3.1Å; T256-G510 PolarHBondContact N-O 3.27Å; T256-G510 VanDerWaalsContact O-CA 3.28Å; T256-G510 WeakPolarHBondContact O-CA 3.39Å; T256-G510 PolarHBondContact O-N 2.67Å; T256-G510 VanDerWaalsContact O-N 3.16Å; T256-G510 PolarHBondContact OG1-N 3.03Å; T256-G510 VanDerWaalsContact OG1-N 3.16Å; T256-G510 PolarHBondContact OG1-O 2.81Å
257F98.1Very high97Very high6 Ų628.1 Ų28.13%0.02613%0.134CC..EExtended strand (participates in β ladder)trans-157.2170.3176.671-80.4000110.4V185 K187 F190 T259 C264 V266V185-F257 HydrophobicContact CB-CB 4.23Å; V185-F257 HydrophobicContact CG1-CB 3.93Å; V185-F257 HydrophobicContact CG1-CD1 4.09Å; V185-F257 HydrophobicContact CG1-CG 4.15Å; K187-F257 HydrophobicContact CB-CE2 4.32Å; F190-F257 HydrophobicContact CD2-CD1 4.46Å; F190-F257 AromaticContact CD2-CE1 3.76Å; F190-F257 HydrophobicContact CD2-CE1 3.76Å; F190-F257 HydrophobicContact CD2-CE2 4.49Å; F190-F257 AromaticContact CD2-CZ 3.78Å; F190-F257 HydrophobicContact CD2-CZ 3.78Å; F190-F257 AromaticContact CE2-CD1 3.67Å; F190-F257 HydrophobicContact CE2-CD1 3.67Å; F190-F257 AromaticContact CE2-CE1 3.33Å; F190-F257 HydrophobicContact CE2-CE1 3.33Å; F190-F257 HydrophobicContact CE2-CG 4.4Å; F190-F257 AromaticContact CE2-CZ 3.82Å; F190-F257 HydrophobicContact CE2-CZ 3.82Å; F190-F257 HydrophobicContact CZ-CD1 4.34Å; F190-F257 HydrophobicContact CZ-CE1 4.08Å; F257-T259 HydrophobicContact CD2-CG2 4.42Å; F257-T259 HydrophobicContact CE2-CG2 3.84Å; F257-C264 HydrophobicContact CD1-CB 3.67Å; F257-C264 HydrophobicContact CD2-CB 4.24Å; F257-C264 HydrophobicContact CE1-CB 3.35Å; F257-C264 HydrophobicContact CE2-CB 3.97Å; F257-C264 HydrophobicContact CG-CB 4.11Å; F257-C264 HydrophobicContact CZ-CB 3.52Å; F257-C264 PolarHBondContact N-O 2.83Å; F257-C264 WeakPolarHBondContact O-CB 3.28Å; F257-C264 PolarHBondContact O-N 2.83Å; F257-V266 HydrophobicContact CD1-CG2 4.09Å; F257-V266 HydrophobicContact CE1-CG2 3.61Å
258E97.1Very high97.1Very high79 Ų7929.1 Ų29.137%0.36914%0.14SC..EExtended strand (participates in β ladder)trans-116.9158173.763.3174.9167.200112.4K223 L263 Y504 C508K223-E258 WeakPolarHBondContact CE-OE2 3.47Å; K223-E258 IonicContact NZ-OE2 3.67Å; K223-E258 PolarHBondContact NZ-OE2 2.93Å; E258-L263 HydrophobicContact CB-CD2 3.87Å; E258-Y504 WeakPolarHBondContact OE2-CB 3.44Å; E258-C508 VanDerWaalsContact CB-SG 3.56Å; E258-C508 PolarHBondContact N-SG 3.08Å; E258-C508 VanDerWaalsContact N-SG 3.36Å
259T96.6Very high97.1Very high40 Ų4025 Ų2525%0.24513%0.126CC..  trans-116.5-178164.266.40000108.8K187 K223 F257 D261 A262K187-T259 HydrophobicContact CB-CG2 4.27Å; K223-T259 PolarHBondContact NZ-O 3.31Å; F257-T259 HydrophobicContact CD2-CG2 4.42Å; F257-T259 HydrophobicContact CE2-CG2 3.84Å; T259-D261 PolarHBondContact O-N 3.14Å; T259-D261 PolarHBondContact OG1-N 2.82Å; T259-A262 PolarHBondContact N-O 3.47Å; T259-A262 PolarHBondContact OG1-N 3.18Å; T259-A262 PolarHBondContact OG1-O 3.37Å
260K95.1Very high97Very high179 Ų17925.5 Ų25.578%0.77813%0.128SC*.SBendtrans-53.6-41.2172.3-173.3179.5179178.90111.7
261D94.7Very high96.7Very high100 Ų10026 Ų2654%0.53513%0.131SC..SBendtrans-114.8-12.7-166.4-55.8-64.2000114.6K223 T259K223-D261 PolarHBondContact N-O 2.99Å; T259-D261 PolarHBondContact O-N 3.14Å; T259-D261 PolarHBondContact OG1-N 2.82Å
262A96.1Very high96.6Very high9 Ų925.8 Ų25.87%0.07413%0.13CC..EExtended strand (participates in β ladder)trans-143.1153.1-174.200000113.8K220 M221 T259K220-A262 HydrophobicContact CB-CB 4.27Å; M221-A262 CarbonylContact O-C 3.52Å; M221-A262 WeakPolarHBondContact O-CA 3.5Å; M221-A262 WeakPolarHBondContact O-CB 3.42Å; T259-A262 PolarHBondContact N-O 3.47Å; T259-A262 PolarHBondContact OG1-N 3.18Å; T259-A262 PolarHBondContact OG1-O 3.37Å
263L97.1Very high96.4Very high0 Ų025.4 Ų25.40%013%0.13CC..EExtended strand (participates in β ladder)trans-90.7143.3159.4-63.5-178.9000109.5K220 M221 K223 M226 E258 F503 Y504 F507K220-L263 WeakPolarHBondContact CA-O 3.4Å; M221-L263 HydrophobicContact CE-CB 4.14Å; M221-L263 PolarHBondContact N-O 2.83Å; M221-L263 PolarHBondContact O-N 3.46Å; K223-L263 HydrophobicContact CG-CG 4.46Å; M226-L263 HydrophobicContact CE-CD1 3.64Å; M226-L263 HydrophobicContact CE-CG 4.38Å; M226-L263 HydrophobicContact SD-CD1 4.18Å; E258-L263 HydrophobicContact CB-CD2 3.87Å; L263-F503 HydrophobicContact CD1-CE1 3.77Å; L263-Y504 HydrophobicContact CD1-CD1 3.87Å; L263-Y504 HydrophobicContact CD1-CE1 4.24Å; L263-Y504 HydrophobicContact CD2-CD1 3.72Å; L263-Y504 HydrophobicContact CD2-CG 4.02Å; L263-Y504 HydrophobicContact CG-CD1 4.06Å; L263-Y504 HydrophobicContact CG-CE1 4.46Å; L263-F507 HydrophobicContact CB-CD1 4.08Å; L263-F507 HydrophobicContact CB-CE1 3.83Å; L263-F507 HydrophobicContact CB-CZ 4.28Å; L263-F507 HydrophobicContact CD1-CB 4.24Å; L263-F507 HydrophobicContact CD1-CD1 3.89Å; L263-F507 HydrophobicContact CD1-CD2 3.99Å; L263-F507 HydrophobicContact CD1-CE1 4.23Å; L263-F507 HydrophobicContact CD1-CE2 4.31Å; L263-F507 HydrophobicContact CD1-CG 3.76Å; L263-F507 HydrophobicContact CD1-CZ 4.42Å; L263-F507 HydrophobicContact CD2-CD1 3.96Å; L263-F507 HydrophobicContact CD2-CG 4.4Å; L263-F507 HydrophobicContact CG-CD1 4.2Å; L263-F507 HydrophobicContact CG-CE1 4.44Å
264C98Very high96.3Very high1 Ų127.6 Ų27.61%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-125.1129.3-173.3-61.90000111.2K219 T256 F257K219-C264 WeakPolarHBondContact O-CA 3.44Å; T256-C264 WeakPolarHBondContact CA-O 3.46Å; F257-C264 HydrophobicContact CD1-CB 3.67Å; F257-C264 HydrophobicContact CD2-CB 4.24Å; F257-C264 HydrophobicContact CE1-CB 3.35Å; F257-C264 HydrophobicContact CE2-CB 3.97Å; F257-C264 HydrophobicContact CG-CB 4.11Å; F257-C264 HydrophobicContact CZ-CB 3.52Å; F257-C264 PolarHBondContact N-O 2.83Å; F257-C264 WeakPolarHBondContact O-CB 3.28Å; F257-C264 PolarHBondContact O-N 2.83Å
265L97.4Very high96.2Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-106.3123.3164.7-62174.8000108.3C218 K219 M221 E238 K239 L242 L253 T256 L267 F507C218-L265 CarbonylContact C-O 3.16Å; C218-L265 WeakPolarHBondContact CA-O 3.44Å; K219-L265 HydrophobicContact CB-CB 4.36Å; K219-L265 PolarHBondContact N-O 2.93Å; K219-L265 PolarHBondContact O-N 2.8Å; M221-L265 HydrophobicContact CE-CD1 3.93Å; M221-L265 HydrophobicContact CE-CG 3.86Å; E238-L265 HydrophobicContact CG-CD1 4.39Å; K239-L265 HydrophobicContact CB-CD2 4.16Å; K239-L265 HydrophobicContact CG-CD2 4.2Å; L242-L265 HydrophobicContact CD1-CD1 4.08Å; L253-L265 HydrophobicContact CD1-CB 3.92Å; L253-L265 HydrophobicContact CD1-CD2 3.77Å; L253-L265 HydrophobicContact CD1-CG 4.43Å; L253-L265 HydrophobicContact CD2-CD2 4.3Å; T256-L265 HydrophobicContact CG2-CD2 3.78Å; L265-L267 HydrophobicContact CB-CD2 4.14Å; L265-L267 HydrophobicContact CB-CG 4.31Å; L265-F507 HydrophobicContact CD2-CE1 3.99Å; L265-F507 HydrophobicContact CD2-CE2 4.38Å; L265-F507 HydrophobicContact CD2-CZ 3.45Å; L265-F507 VanDerWaalsContact CD2-CZ 3.45Å; L265-F507 HydrophobicContact CG-CZ 3.95Å
266V98.2Very high96Very high0 Ų031.4 Ų31.40%016%0.158CC..EExtended strand (participates in β ladder)trans-101.8110.2176.5-175.30000108.4F190 Y216 A217 A254 Y255 F257F190-V266 HydrophobicContact CE1-CG1 4.09Å; F190-V266 HydrophobicContact CE1-CG2 4.07Å; F190-V266 HydrophobicContact CE2-CG2 4.3Å; F190-V266 HydrophobicContact CZ-CG2 3.8Å; Y216-V266 HydrophobicContact CD1-CG1 3.97Å; Y216-V266 HydrophobicContact CD2-CG1 4.19Å; Y216-V266 HydrophobicContact CG-CG1 3.59Å; A217-V266 CarbonylContact O-C 3.5Å; A217-V266 WeakPolarHBondContact O-CA 3.45Å; A254-V266 PolarHBondContact N-O 3.24Å; Y255-V266 HydrophobicContact CD2-CB 3.93Å; Y255-V266 HydrophobicContact CD2-CG1 3.77Å; Y255-V266 HydrophobicContact CD2-CG2 4.49Å; Y255-V266 HydrophobicContact CG-CB 4.33Å; Y255-V266 PolarHBondContact N-O 3.16Å; Y255-V266 PolarHBondContact O-N 3.36Å; F257-V266 HydrophobicContact CD1-CG2 4.09Å; F257-V266 HydrophobicContact CE1-CG2 3.61Å
267L97.5Very high95.6Very high18 Ų1832.5 Ų32.59%0.09416%0.163CC..EExtended strand (participates in β ladder)trans-115.2156.7-167.9-53.3175.3000110.7Y216 A217 K219 L242 N252 L253 L265 I269Y216-L267 WeakPolarHBondContact CD1-O 3.09Å; A217-L267 PolarHBondContact N-O 3.5Å; A217-L267 PolarHBondContact O-N 3.08Å; K219-L267 HydrophobicContact CB-CD1 4.34Å; L242-L267 HydrophobicContact CD1-CD2 3.77Å; L242-L267 HydrophobicContact CD2-CD2 4.35Å; N252-L267 CarbonylContact O-C 3.6Å; N252-L267 VanDerWaalsContact O-CA 3.3Å; N252-L267 WeakPolarHBondContact O-CA 3.4Å; L253-L267 HydrophobicContact CB-CD2 4.08Å; L253-L267 HydrophobicContact CD1-CD2 3.71Å; L265-L267 HydrophobicContact CB-CD2 4.14Å; L265-L267 HydrophobicContact CB-CG 4.31Å; L267-I269 PolarHBondContact O-N 2.92Å
268T96Very high95.4Very high33 Ų3332.2 Ų32.220%0.20216%0.162CC..  trans-42.6127.1167.3-54.90000110.7N252 M270N252-T268 PolarHBondContact N-OG1 3.41Å; N252-T268 PolarHBondContact O-N 3.49Å; N252-T268 PolarHBondContact O-OG1 2.92Å; T268-M270 HydrophobicContact CG2-SD 3.91Å
269I95.7Very high95.2Very high22 Ų2228.5 Ų28.511%0.11314%0.144CC..  trans-79.4136.3175.4-161167.3000110.2Y12 A206 L215 A217 L267Y12-I269 HydrophobicContact CE2-CD1 4.27Å; Y12-I269 WeakPolarHBondContact OH-CD1 3.18Å; A206-I269 HydrophobicContact CB-CD1 4.12Å; L215-I269 HydrophobicContact CB-CD1 4.11Å; L215-I269 HydrophobicContact CB-CG2 4.13Å; A217-I269 HydrophobicContact CB-CG1 4.48Å; L267-I269 PolarHBondContact O-N 2.92Å
270M95.7Very high94.8Very high18 Ų1827.6 Ų27.69%0.08914%0.137CC..  trans-124.892.7-178.5-57.4-61.6-66.300108.3V251 T268 L323 I324 D325 R331V251-M270 HydrophobicContact CG1-CG 4.01Å; V251-M270 HydrophobicContact CG1-SD 4.48Å; T268-M270 HydrophobicContact CG2-SD 3.91Å; M270-L323 HydrophobicContact CB-CB 3.4Å; M270-L323 VanDerWaalsContact CB-CB 3.4Å; M270-L323 HydrophobicContact CB-CD1 3.88Å; M270-L323 HydrophobicContact CB-CG 4.28Å; M270-L323 HydrophobicContact CE-CB 4.19Å; M270-L323 WeakPolarHBondContact CE-O 3.4Å; M270-L323 HydrophobicContact CG-CB 3.68Å; M270-L323 HydrophobicContact CG-CD1 3.92Å; M270-L323 HydrophobicContact CG-CG 4.45Å; M270-I324 CarbonylContact C-O 3.58Å; M270-I324 WeakPolarHBondContact CA-O 3.47Å; M270-D325 HydrophobicContact CE-CB 3.78Å; M270-D325 HydrophobicContact SD-CB 4.07Å; M270-R331 HydrophobicContact CE-CB 3.71Å; M270-R331 HydrophobicContact CE-CG 3.53Å; M270-R331 HydrophobicContact SD-CB 4.28Å; M270-R331 HydrophobicContact SD-CG 4.05Å
271N92.6Very high94.3Very high11 Ų1122 Ų226%0.05912%0.116CC..THydrogen-bonded Turntrans-81.2-16.7-165.9-81-36.9000115.1Y12 G273 I324 D326 Y478Y12-N271 PolarHBondContact OH-OD1 2.65Å; N271-G273 PolarHBondContact O-N 3.18Å; N271-I324 PolarHBondContact N-O 3.01Å; N271-D326 WeakPolarHBondContact CB-OD1 3.36Å; N271-D326 PolarHBondContact ND2-OD1 2.77Å; N271-D326 PolarHBondContact ND2-OD2 2.86Å; N271-Y478 WeakPolarHBondContact O-CD2 3.41Å
272G94.2Very high93.5Very high0 Ų020.5 Ų20.50%011%0.107CC..THydrogen-bonded Turntrans-78-1.1178.500000113.9H278 I324 Y478G272-H278 PolarHBondContact O-NE2 3.42Å; G272-I324 VanDerWaalsContact CA-O 3.3Å; G272-I324 WeakPolarHBondContact CA-O 3.28Å; G272-I324 PolarHBondContact N-O 2.87Å; G272-Y478 VanDerWaalsContact C-CB 3.49Å; G272-Y478 WeakPolarHBondContact O-CB 3.45Å
273G93.4Very high92.4Very high10 Ų1022.3 Ų22.310%0.10312%0.115CC..EExtended strand (participates in β ladder)trans76.5-169.9-178.200000113N271 L323 I324 Y478N271-G273 PolarHBondContact O-N 3.18Å; G273-L323 CarbonylContact O-C 3.59Å; G273-L323 WeakPolarHBondContact O-CA 3.4Å; G273-I324 PolarHBondContact O-N 3.1Å; G273-Y478 WeakPolarHBondContact CA-O 3.27Å
274D94.5Very high91.5Very high47 Ų4729.8 Ų29.825%0.25116%0.155SC..EExtended strand (participates in β ladder)trans-93.5156.2-177.864.476.2000113.5K276 F277 H278 E320 I322 L323D274-K276 VanDerWaalsContact C-N 3.26Å; D274-K276 PolarHBondContact O-N 3.16Å; D274-K276 WeakPolarHBondContact OD1-CA 3.43Å; D274-K276 VanDerWaalsContact OD1-CB 3.23Å; D274-K276 WeakPolarHBondContact OD1-CB 3.31Å; D274-K276 PolarHBondContact OD1-N 2.85Å; D274-K276 VanDerWaalsContact OD1-N 3.16Å; D274-F277 WeakPolarHBondContact O-CB 3.49Å; D274-F277 PolarHBondContact O-N 3.23Å; D274-F277 PolarHBondContact OD1-N 2.97Å; D274-H278 PolarHBondContact O-CD2 2.78Å; D274-H278 VanDerWaalsContact O-CD2 3.32Å; D274-H278 PolarHBondContact O-N 2.76Å; D274-E320 WeakPolarHBondContact CB-O 3.3Å; D274-I322 CarbonylContact C-O 3.5Å; D274-I322 WeakPolarHBondContact CA-O 3.24Å; D274-L323 HydrophobicContact CB-CD2 3.7Å
275L95.7Very high90.5Very high0 Ų030.7 Ų30.70%016%0.164CC..Hα-helixtrans-64.9-29.9-176.2-157.968.3000112.5F277 H278 I279 F288 Y296 P319 I322 I324 I379 M383L275-F277 VanDerWaalsContact C-N 3.34Å; L275-F277 PolarHBondContact O-N 3.24Å; L275-H278 PolarHBondContact O-N 3.33Å; L275-I279 HydrophobicContact CD2-CD1 4.42Å; L275-I279 HydrophobicContact CG-CD1 4.11Å; L275-I279 HydrophobicContact CG-CG1 4.45Å; L275-I279 VanDerWaalsContact O-CG1 3.25Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.44Å; L275-F288 HydrophobicContact CD1-CE2 3.68Å; L275-F288 HydrophobicContact CD1-CZ 3.89Å; L275-F288 HydrophobicContact CG-CE2 4.06Å; L275-F288 HydrophobicContact CG-CZ 4.31Å; L275-Y296 HydrophobicContact CD1-CD2 3.65Å; L275-Y296 HydrophobicContact CD1-CE2 3.77Å; L275-Y296 HydrophobicContact CD1-CG 4.5Å; L275-P319 HydrophobicContact CB-CB 4.16Å; L275-P319 VanDerWaalsContact CB-O 3.27Å; L275-P319 WeakPolarHBondContact CB-O 3.23Å; L275-P319 PolarHBondContact N-O 2.82Å; L275-P319 VanDerWaalsContact N-O 3.14Å; L275-I322 HydrophobicContact CB-CB 4Å; L275-I322 HydrophobicContact CB-CG2 4.28Å; L275-I322 HydrophobicContact CD2-CB 4.15Å; L275-I322 HydrophobicContact CD2-CG2 4.09Å; L275-I322 PolarHBondContact N-O 3.27Å; L275-I324 HydrophobicContact CD1-CD1 4.29Å; L275-I379 HydrophobicContact CD2-CG2 3.88Å; L275-M383 HydrophobicContact CD2-CG 4.01Å; L275-M383 HydrophobicContact CD2-SD 3.76Å
276K93.7Very high90Very high86 Ų8633.6 Ų33.637%0.37419%0.185SC..Hα-helixtrans-59.8-45.7175.1179.6-176-174.3164.50110.9D274 H278 I279 H280 P319 E320D274-K276 VanDerWaalsContact C-N 3.26Å; D274-K276 PolarHBondContact O-N 3.16Å; D274-K276 WeakPolarHBondContact OD1-CA 3.43Å; D274-K276 VanDerWaalsContact OD1-CB 3.23Å; D274-K276 WeakPolarHBondContact OD1-CB 3.31Å; D274-K276 PolarHBondContact OD1-N 2.85Å; D274-K276 VanDerWaalsContact OD1-N 3.16Å; K276-H278 VanDerWaalsContact C-N 3.28Å; K276-H278 PolarHBondContact O-N 3.17Å; K276-I279 PolarHBondContact O-N 3.04Å; K276-H280 WeakPolarHBondContact O-CB 3.36Å; K276-H280 PolarHBondContact O-CD2 2.98Å; K276-H280 PolarHBondContact O-N 2.96Å; K276-P319 HydrophobicContact CB-CB 3.94Å; K276-P319 PolarHBondContact N-O 3.1Å; K276-E320 HydrophobicContact CB-CG 4.14Å; K276-E320 HydrophobicContact CD-CG 3.5Å; K276-E320 VanDerWaalsContact CD-OE1 3.29Å; K276-E320 WeakPolarHBondContact CD-OE1 3.27Å; K276-E320 WeakPolarHBondContact CE-OE1 3.47Å; K276-E320 HydrophobicContact CG-CG 4.5Å; K276-E320 IonicContact NZ-OE1 2.78Å; K276-E320 PolarHBondContact NZ-OE1 3.1Å
277F90.9Very high89.8Confident24 Ų2433.7 Ų33.711%0.10519%0.186CC..Hα-helixtrans-57.4-44.7175.9179.3-92.4000111D274 L275 N281 M282 Y478 V631D274-F277 WeakPolarHBondContact O-CB 3.49Å; D274-F277 PolarHBondContact O-N 3.23Å; D274-F277 PolarHBondContact OD1-N 2.97Å; L275-F277 VanDerWaalsContact C-N 3.34Å; L275-F277 PolarHBondContact O-N 3.24Å; F277-N281 HydrophobicContact CD2-CB 3.8Å; F277-N281 HydrophobicContact CE2-CB 3.74Å; F277-N281 HydrophobicContact CG-CB 4.32Å; F277-N281 HydrophobicContact CZ-CB 4.21Å; F277-N281 WeakPolarHBondContact O-CA 3.18Å; F277-N281 VanDerWaalsContact O-CB 3.28Å; F277-N281 WeakPolarHBondContact O-CB 3.37Å; F277-N281 PolarHBondContact O-N 2.74Å; F277-M282 PolarHBondContact O-N 3.32Å; F277-M282 VanDerWaalsContact O-N 3.11Å; F277-Y478 HydrophobicContact CD1-CD1 4.08Å; F277-Y478 AromaticContact CE1-CD1 3.67Å; F277-Y478 HydrophobicContact CE1-CD1 3.67Å; F277-Y478 HydrophobicContact CE1-CE1 4.28Å; F277-V631 HydrophobicContact CZ-CG1 4.4Å
278H93.4Very high89.6Confident0 Ų033.3 Ų33.30%018%0.183CC..Iπ-helixtrans-64.9-42.5179.1-78.1-93.8000112.8G272 D274 L275 K276 F288 R292 F470G272-H278 PolarHBondContact O-NE2 3.42Å; D274-H278 PolarHBondContact O-CD2 2.78Å; D274-H278 VanDerWaalsContact O-CD2 3.32Å; D274-H278 PolarHBondContact O-N 2.76Å; L275-H278 PolarHBondContact O-N 3.33Å; K276-H278 VanDerWaalsContact C-N 3.28Å; K276-H278 PolarHBondContact O-N 3.17Å; H278-F288 HydrophobicContact CB-CE1 3.75Å; H278-F288 HydrophobicContact CB-CZ 3.55Å; H278-R292 PolarHBondContact ND1-NH2 3.46Å; H278-F470 AromaticContact CE1-CE1 3.37Å; H278-F470 WeakPolarHBondContact CE1-CE1 3.16Å; H278-F470 AromaticContact CE1-CZ 3.67Å; H278-F470 AromaticContact ND1-CE1 3.77Å; H278-F470 AromaticContact ND1-CZ 3.98Å
279I93.1Very high89.5Confident0 Ų036.7 Ų36.70%020%0.2CC..Iπ-helixtrans-66.6-47.8179-66167.3000110.9L275 K276 F288 P319 E382 M383L275-I279 HydrophobicContact CD2-CD1 4.42Å; L275-I279 HydrophobicContact CG-CD1 4.11Å; L275-I279 HydrophobicContact CG-CG1 4.45Å; L275-I279 VanDerWaalsContact O-CG1 3.25Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.44Å; K276-I279 PolarHBondContact O-N 3.04Å; I279-F288 HydrophobicContact CB-CZ 4.38Å; I279-F288 HydrophobicContact CD1-CE2 4.37Å; I279-F288 HydrophobicContact CG1-CD2 4.43Å; I279-F288 HydrophobicContact CG1-CE1 4.09Å; I279-F288 HydrophobicContact CG1-CE2 3.64Å; I279-F288 HydrophobicContact CG1-CZ 3.43Å; I279-F288 VanDerWaalsContact CG1-CZ 3.43Å; I279-P319 HydrophobicContact CD1-CB 4.06Å; I279-P319 HydrophobicContact CD1-CG 4.2Å; I279-E382 HydrophobicContact CD1-CG 4.22Å; I279-E382 HydrophobicContact CG2-CG 4.34Å; I279-M383 HydrophobicContact CD1-CG 3.88Å; I279-M383 HydrophobicContact CG1-CG 4.4Å
280H88.7Confident89.5Confident22 Ų2237.5 Ų37.510%0.10220%0.204CC..Iπ-helixtrans-99-27.3-163.4-71.4-67.6000115.4K276 G285 E382 G386 R393K276-H280 WeakPolarHBondContact O-CB 3.36Å; K276-H280 PolarHBondContact O-CD2 2.98Å; K276-H280 PolarHBondContact O-N 2.96Å; H280-G285 PolarHBondContact O-N 3.41Å; H280-E382 IonicContact CD2-OE1 3.76Å; H280-E382 IonicContact CE1-OE1 2.73Å; H280-E382 PolarHBondContact CE1-OE1 3.43Å; H280-E382 IonicContact NE2-OE1 2.8Å; H280-E382 PolarHBondContact NE2-OE1 2.84Å; H280-G386 PolarHBondContact CE1-O 2.87Å; H280-G386 VanDerWaalsContact CE1-O 3.23Å; H280-R393 VanDerWaalsContact CB-NH1 3.33Å; H280-R393 PolarHBondContact ND1-NH1 3.44Å; H280-R393 PolarHBondContact O-NH1 3.35Å; H280-R393 VanDerWaalsContact O-NH1 3.1Å; H280-R393 PolarHBondContact O-NH2 3.22Å
281N83.2Confident89.6Confident60 Ų6040.8 Ų40.832%0.32122%0.221SC..Iπ-helixtrans-110.4-44.6-173.9-65.456.5000111.1F277F277-N281 HydrophobicContact CD2-CB 3.8Å; F277-N281 HydrophobicContact CE2-CB 3.74Å; F277-N281 HydrophobicContact CG-CB 4.32Å; F277-N281 HydrophobicContact CZ-CB 4.21Å; F277-N281 WeakPolarHBondContact O-CA 3.18Å; F277-N281 VanDerWaalsContact O-CB 3.28Å; F277-N281 WeakPolarHBondContact O-CB 3.37Å; F277-N281 PolarHBondContact O-N 2.74Å
282M77.8Confident89.8Confident70 Ų7041 Ų4135%0.34522%0.221SC..Iπ-helixtrans-74-34.7-176.6-162.8168.6-175.200112.8F277 F470 Y478F277-M282 PolarHBondContact O-N 3.32Å; F277-M282 VanDerWaalsContact O-N 3.11Å; M282-F470 HydrophobicContact CE-CE2 3.58Å; M282-F470 HydrophobicContact CE-CZ 3.62Å; M282-F470 HydrophobicContact SD-CE2 4.02Å; M282-F470 HydrophobicContact SD-CZ 3.75Å; M282-Y478 HydrophobicContact SD-CE1 4.37Å
283N74.6Confident90Very high47 Ų4741 Ų4125%0.25122%0.221SC..THydrogen-bonded Turntrans-103.623.8-178.6-77.34.4000113.7G285 S286 G287 F288N283-G285 PolarHBondContact O-N 3.38Å; N283-S286 WeakPolarHBondContact O-CB 3.4Å; N283-S286 PolarHBondContact O-N 2.88Å; N283-S286 PolarHBondContact O-OG 2.91Å; N283-G287 WeakPolarHBondContact CB-O 3.37Å; N283-G287 PolarHBondContact ND2-O 3.14Å; N283-F288 WeakPolarHBondContact ND2-CD1 3.11Å
284N77.3Confident90.2Very high156 Ų15642.3 Ų42.383%0.83422%0.223SC*.THydrogen-bonded Turntrans51.626.4-177-63.4-28.1000114
285G76.6Confident90.4Very high20 Ų2040.9 Ų40.921%0.20622%0.215CC..THydrogen-bonded Turntrans77.213.4-176.400000115.4H280 N283 G287H280-G285 PolarHBondContact O-N 3.41Å; N283-G285 PolarHBondContact O-N 3.38Å; G285-G287 VanDerWaalsContact C-N 3.31Å
286S87.5Confident90.5Very high61 Ų6140.9 Ų40.943%0.42722%0.215SC..  trans-81.7-5.4177.973.50000114.2N283 K416N283-S286 WeakPolarHBondContact O-CB 3.4Å; N283-S286 PolarHBondContact O-N 2.88Å; N283-S286 PolarHBondContact O-OG 2.91Å; S286-K416 PolarHBondContact O-NZ 3.22Å
287G92.7Very high90.8Very high2 Ų236.8 Ų36.82%0.02120%0.197CC..  trans69.8-173.1-16800000112.6N283 G285 M383N283-G287 WeakPolarHBondContact CB-O 3.37Å; N283-G287 PolarHBondContact ND2-O 3.14Å; G285-G287 VanDerWaalsContact C-N 3.31Å; G287-M383 CarbonylContact C-O 3.56Å; G287-M383 WeakPolarHBondContact CA-O 3.26Å
288F95Very high91.2Very high11 Ų1135.6 Ų35.65%0.04819%0.192CC..  trans-93.8162.9180-54.1-36.3000112.1L275 H278 I279 N283 R292 A293 Y296 M383L275-F288 HydrophobicContact CD1-CE2 3.68Å; L275-F288 HydrophobicContact CD1-CZ 3.89Å; L275-F288 HydrophobicContact CG-CE2 4.06Å; L275-F288 HydrophobicContact CG-CZ 4.31Å; H278-F288 HydrophobicContact CB-CE1 3.75Å; H278-F288 HydrophobicContact CB-CZ 3.55Å; I279-F288 HydrophobicContact CB-CZ 4.38Å; I279-F288 HydrophobicContact CD1-CE2 4.37Å; I279-F288 HydrophobicContact CG1-CD2 4.43Å; I279-F288 HydrophobicContact CG1-CE1 4.09Å; I279-F288 HydrophobicContact CG1-CE2 3.64Å; I279-F288 HydrophobicContact CG1-CZ 3.43Å; I279-F288 VanDerWaalsContact CG1-CZ 3.43Å; N283-F288 WeakPolarHBondContact ND2-CD1 3.11Å; F288-R292 HydrophobicContact CB-CB 4.23Å; F288-R292 HydrophobicContact CB-CG 4.37Å; F288-R292 HydrophobicContact CD2-CG 4.37Å; F288-R292 HydrophobicContact CG-CG 4.26Å; F288-A293 HydrophobicContact CB-CB 4.49Å; F288-Y296 HydrophobicContact CD2-CD2 4.37Å; F288-Y296 HydrophobicContact CE2-CD2 4.08Å; F288-Y296 HydrophobicContact CE2-CE2 4.12Å; F288-M383 HydrophobicContact CD2-CB 3.8Å; F288-M383 HydrophobicContact CD2-CG 3.72Å; F288-M383 HydrophobicContact CD2-SD 3.87Å; F288-M383 HydrophobicContact CE2-CB 4.26Å; F288-M383 HydrophobicContact CE2-CG 3.7Å; F288-M383 HydrophobicContact CE2-SD 3.88Å; F288-M383 PolarHBondContact N-O 3.35Å
289N94.2Very high91.4Very high104 Ų10435.7 Ų35.756%0.55619%0.192SC*.  trans-67157.9160.267.747.6000110.3N291 R292 A293N289-N291 VanDerWaalsContact C-N 3.26Å; N289-N291 PolarHBondContact O-N 3.38Å; N289-N291 PolarHBondContact OD1-N 3.46Å; N289-R292 PolarHBondContact O-N 3.36Å; N289-R292 WeakPolarHBondContact OD1-CB 3.46Å; N289-R292 PolarHBondContact OD1-N 2.99Å; N289-A293 PolarHBondContact O-N 3.29Å; N289-A293 VanDerWaalsContact O-N 3.12Å
290E95.3Very high91.7Very high39 Ų3935.8 Ų35.818%0.18219%0.193CC..Hα-helixtrans-61.9-33.9-174.2-162.5-178.3129.900112.7A293 R294 I384 S418 W452E290-A293 PolarHBondContact O-N 3Å; E290-R294 WeakPolarHBondContact O-CB 3.25Å; E290-R294 PolarHBondContact O-N 3.11Å; E290-R294 IonicContact OE1-CZ 3.92Å; E290-R294 IonicContact OE1-NH2 3.43Å; E290-R294 PolarHBondContact OE1-NH2 2.98Å; E290-I384 HydrophobicContact CG-CD1 4.42Å; E290-S418 PolarHBondContact OE1-OG 2.92Å; E290-S418 WeakPolarHBondContact OE2-CB 3.33Å; E290-S418 PolarHBondContact OE2-N 3.48Å; E290-S418 PolarHBondContact OE2-OG 3.05Å; E290-W452 HydrophobicContact CG-CZ2 4.15Å; E290-W452 VanDerWaalsContact OE1-CD1 3.29Å; E290-W452 PolarHBondContact OE1-NE1 3.5Å
291N96.6Very high92.2Very high86 Ų8634.7 Ų34.746%0.4619%0.188SC..Hα-helixtrans-63.5-46.4179.4-171.151.4000112.2N289 R294 F295N289-N291 VanDerWaalsContact C-N 3.26Å; N289-N291 PolarHBondContact O-N 3.38Å; N289-N291 PolarHBondContact OD1-N 3.46Å; N291-R294 PolarHBondContact O-N 3.08Å; N291-F295 PolarHBondContact O-N 2.78Å
292R97Very high92.9Very high15 Ų1532.1 Ų32.16%0.05717%0.174CC..Hα-helixtrans-65.6-42.7177-178.6174.9-174.6-162.1-5.4111.5H278 F288 N289 R294 F295 Y296 P469 F470H278-R292 PolarHBondContact ND1-NH2 3.46Å; F288-R292 HydrophobicContact CB-CB 4.23Å; F288-R292 HydrophobicContact CB-CG 4.37Å; F288-R292 HydrophobicContact CD2-CG 4.37Å; F288-R292 HydrophobicContact CG-CG 4.26Å; N289-R292 PolarHBondContact O-N 3.36Å; N289-R292 WeakPolarHBondContact OD1-CB 3.46Å; N289-R292 PolarHBondContact OD1-N 2.99Å; R292-R294 VanDerWaalsContact C-N 3.34Å; R292-R294 PolarHBondContact O-N 3.38Å; R292-F295 PolarHBondContact O-N 2.8Å; R292-Y296 HydrophobicContact CG-CD2 4.06Å; R292-Y296 HydrophobicContact CG-CE2 3.58Å; R292-Y296 VanDerWaalsContact NE-CE2 3.28Å; R292-Y296 PolarHBondContact NE-OH 3.22Å; R292-Y296 VanDerWaalsContact NE-OH 3.08Å; R292-Y296 PolarHBondContact NH2-OH 3.41Å; R292-Y296 VanDerWaalsContact NH2-OH 3.11Å; R292-Y296 PolarHBondContact O-N 2.69Å; R292-Y296 VanDerWaalsContact O-N 3.17Å; R292-P469 HydrophobicContact CB-CG 4.12Å; R292-P469 HydrophobicContact CG-CG 4.16Å; R292-F470 VanDerWaalsContact CZ-CG 3.41Å
293A98Very high93.9Very high0 Ų028.8 Ų28.80%016%0.157CC..Hα-helixtrans-60.8-43.6175.600000111.8F288 N289 E290 A297 M383 I384F288-A293 HydrophobicContact CB-CB 4.49Å; N289-A293 PolarHBondContact O-N 3.29Å; N289-A293 VanDerWaalsContact O-N 3.12Å; E290-A293 PolarHBondContact O-N 3Å; A293-A297 VanDerWaalsContact O-CB 3.27Å; A293-A297 WeakPolarHBondContact O-CB 3.43Å; A293-A297 PolarHBondContact O-N 3.36Å; A293-M383 HydrophobicContact CB-CB 3.85Å; A293-M383 HydrophobicContact CB-CE 4.12Å; A293-M383 HydrophobicContact CB-SD 4.3Å; A293-M383 WeakPolarHBondContact O-CE 3.5Å; A293-I384 HydrophobicContact CB-CD1 4.45Å; A293-I384 HydrophobicContact CB-CG1 3.76Å
294R98.5Very high95Very high38 Ų3826.5 Ų26.514%0.14315%0.145CC..Hα-helixtrans-62.9-45.3177.5-170.8-170.3-59.6124.53112.2E290 N291 R292 A297 A298 W452 F453 C455 I456E290-R294 WeakPolarHBondContact O-CB 3.25Å; E290-R294 PolarHBondContact O-N 3.11Å; E290-R294 IonicContact OE1-CZ 3.92Å; E290-R294 IonicContact OE1-NH2 3.43Å; E290-R294 PolarHBondContact OE1-NH2 2.98Å; N291-R294 PolarHBondContact O-N 3.08Å; R292-R294 VanDerWaalsContact C-N 3.34Å; R292-R294 PolarHBondContact O-N 3.38Å; R294-A297 PolarHBondContact O-N 3.37Å; R294-A298 PolarHBondContact O-N 2.82Å; R294-W452 VanDerWaalsContact CA-CH2 3.42Å; R294-W452 HydrophobicContact CB-CH2 3.9Å; R294-W452 HydrophobicContact CB-CZ2 3.66Å; R294-W452 HydrophobicContact CB-CZ3 4.44Å; R294-W452 WeakPolarHBondContact CD-O 3.48Å; R294-W452 HydrophobicContact CG-CD2 4.19Å; R294-W452 HydrophobicContact CG-CE3 4.29Å; R294-W452 HydrophobicContact CG-CH2 4.26Å; R294-W452 HydrophobicContact CG-CZ2 4.12Å; R294-W452 HydrophobicContact CG-CZ3 4.33Å; R294-W452 PolarHBondContact NE-O 2.92Å; R294-F453 HydrophobicContact CG-CD1 3.65Å; R294-F453 HydrophobicContact CG-CE1 3.86Å; R294-F453 WeakPolarHBondContact O-CE1 3.31Å; R294-C455 VanDerWaalsContact CD-SG 3.53Å; R294-I456 HydrophobicContact CG-CD1 4.41Å; R294-I456 HydrophobicContact CG-CG1 4.42Å
295F98.5Very high96Very high17 Ų1720.7 Ų20.78%0.07511%0.113CC..Hα-helixtrans-58.9-51178.2-172.5-88000111.6N291 R292 A297 A298 E299 H329 L461 E466 A468 P469N291-F295 PolarHBondContact O-N 2.78Å; R292-F295 PolarHBondContact O-N 2.8Å; F295-A297 VanDerWaalsContact C-N 3.34Å; F295-A297 PolarHBondContact O-N 2.73Å; F295-A298 WeakPolarHBondContact O-CB 3.38Å; F295-A298 PolarHBondContact O-N 3.2Å; F295-A298 VanDerWaalsContact O-N 3.17Å; F295-E299 HydrophobicContact CD1-CG 4.39Å; F295-E299 VanDerWaalsContact CE1-CD 3.47Å; F295-E299 HydrophobicContact CE1-CG 4.09Å; F295-E299 WeakPolarHBondContact CE1-OE2 3.17Å; F295-E299 PolarHBondContact O-N 3.25Å; F295-E299 VanDerWaalsContact O-N 3.11Å; F295-H329 AromaticContact CE1-ND1 3.95Å; F295-H329 AromaticContact CZ-CE1 3.95Å; F295-H329 AromaticContact CZ-ND1 3.92Å; F295-L461 HydrophobicContact CE2-CD1 3.83Å; F295-L461 HydrophobicContact CZ-CD1 3.78Å; F295-E466 HydrophobicContact CE2-CB 4.04Å; F295-A468 HydrophobicContact CE1-CB 3.96Å; F295-A468 HydrophobicContact CZ-CB 4.23Å; F295-P469 HydrophobicContact CB-CG 3.76Å; F295-P469 VanDerWaalsContact CD1-CD 3.45Å; F295-P469 HydrophobicContact CD1-CG 4.19Å; F295-P469 VanDerWaalsContact CG-CD 3.41Å; F295-P469 HydrophobicContact CG-CG 3.92Å
296Y98.7Very high97Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-64.5-37.7177.8-63.7-27.4000112.8L275 F288 R292 A298 E299 I300 I324 G328 V330 M383L275-Y296 HydrophobicContact CD1-CD2 3.65Å; L275-Y296 HydrophobicContact CD1-CE2 3.77Å; L275-Y296 HydrophobicContact CD1-CG 4.5Å; F288-Y296 HydrophobicContact CD2-CD2 4.37Å; F288-Y296 HydrophobicContact CE2-CD2 4.08Å; F288-Y296 HydrophobicContact CE2-CE2 4.12Å; R292-Y296 HydrophobicContact CG-CD2 4.06Å; R292-Y296 HydrophobicContact CG-CE2 3.58Å; R292-Y296 VanDerWaalsContact NE-CE2 3.28Å; R292-Y296 PolarHBondContact NE-OH 3.22Å; R292-Y296 VanDerWaalsContact NE-OH 3.08Å; R292-Y296 PolarHBondContact NH2-OH 3.41Å; R292-Y296 VanDerWaalsContact NH2-OH 3.11Å; R292-Y296 PolarHBondContact O-N 2.69Å; R292-Y296 VanDerWaalsContact O-N 3.17Å; Y296-A298 VanDerWaalsContact C-N 3.28Å; Y296-A298 PolarHBondContact O-N 2.96Å; Y296-E299 PolarHBondContact O-N 2.96Å; Y296-I300 WeakPolarHBondContact O-CD1 3.49Å; Y296-I300 WeakPolarHBondContact O-CG1 3.24Å; Y296-I300 PolarHBondContact O-N 2.72Å; Y296-I324 HydrophobicContact CE2-CD1 4.5Å; Y296-G328 WeakPolarHBondContact CE1-O 3.5Å; Y296-V330 HydrophobicContact CD1-CB 4.33Å; Y296-V330 HydrophobicContact CD1-CG1 3.46Å; Y296-V330 VanDerWaalsContact CD1-CG1 3.46Å; Y296-V330 HydrophobicContact CD1-CG2 4Å; Y296-V330 HydrophobicContact CD2-CG1 4.38Å; Y296-V330 HydrophobicContact CE1-CG1 3.74Å; Y296-V330 HydrophobicContact CG-CG1 3.83Å; Y296-V330 HydrophobicContact CG-CG2 4.35Å; Y296-M383 HydrophobicContact CD2-SD 4.1Å
297A98.8Very high97.5Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-61.8-37.717500000112.1A293 R294 F295 T301 L376 V380 M383 W452 F453A293-A297 VanDerWaalsContact O-CB 3.27Å; A293-A297 WeakPolarHBondContact O-CB 3.43Å; A293-A297 PolarHBondContact O-N 3.36Å; R294-A297 PolarHBondContact O-N 3.37Å; F295-A297 VanDerWaalsContact C-N 3.34Å; F295-A297 PolarHBondContact O-N 2.73Å; A297-T301 WeakPolarHBondContact O-CB 3.36Å; A297-T301 PolarHBondContact O-N 2.88Å; A297-T301 PolarHBondContact O-OG1 3.01Å; A297-L376 HydrophobicContact CB-CD1 4.47Å; A297-V380 HydrophobicContact CB-CG2 3.64Å; A297-M383 HydrophobicContact CB-CE 4.2Å; A297-W452 HydrophobicContact CB-CH2 3.94Å; A297-W452 HydrophobicContact CB-CZ3 3.67Å; A297-F453 HydrophobicContact CB-CE1 4.08Å; A297-F453 HydrophobicContact CB-CZ 3.94Å
298A98.8Very high97.8Very high0 Ų019.7 Ų19.70%010%0.095CC..Hα-helixtrans-65.3-44.4175.900000111.5R294 F295 Y296 T301 L302 F453 I456 W458 L461R294-A298 PolarHBondContact O-N 2.82Å; F295-A298 WeakPolarHBondContact O-CB 3.38Å; F295-A298 PolarHBondContact O-N 3.2Å; F295-A298 VanDerWaalsContact O-N 3.17Å; Y296-A298 VanDerWaalsContact C-N 3.28Å; Y296-A298 PolarHBondContact O-N 2.96Å; A298-T301 WeakPolarHBondContact O-CB 3.17Å; A298-T301 PolarHBondContact O-N 3.44Å; A298-L302 PolarHBondContact O-N 2.92Å; A298-L302 VanDerWaalsContact O-N 3.1Å; A298-F453 HydrophobicContact CB-CD1 4.21Å; A298-F453 HydrophobicContact CB-CE1 3.83Å; A298-F453 HydrophobicContact CB-CZ 4.44Å; A298-I456 HydrophobicContact CB-CD1 4.46Å; A298-I456 HydrophobicContact CB-CG1 4.29Å; A298-I456 HydrophobicContact CB-CG2 4.18Å; A298-W458 HydrophobicContact CB-CH2 3.69Å; A298-W458 HydrophobicContact CB-CZ3 3.75Å; A298-L461 HydrophobicContact CB-CD2 3.53Å
299E98.8Very high97.8Very high1 Ų123.6 Ų23.61%0.00512%0.121CC..Hα-helixtrans-64.8-42.4176-67.2-164.1128.300112.9F249 F295 Y296 T301 L302 G303 H329 V330 L461F249-E299 WeakPolarHBondContact CB-O 3.43Å; F249-E299 HydrophobicContact CD1-CB 3.81Å; F249-E299 HydrophobicContact CD1-CG 4.12Å; F249-E299 HydrophobicContact CE1-CB 4.09Å; F249-E299 HydrophobicContact CE1-CG 3.9Å; F295-E299 HydrophobicContact CD1-CG 4.39Å; F295-E299 VanDerWaalsContact CE1-CD 3.47Å; F295-E299 HydrophobicContact CE1-CG 4.09Å; F295-E299 WeakPolarHBondContact CE1-OE2 3.17Å; F295-E299 PolarHBondContact O-N 3.25Å; F295-E299 VanDerWaalsContact O-N 3.11Å; Y296-E299 PolarHBondContact O-N 2.96Å; E299-T301 VanDerWaalsContact C-N 3.28Å; E299-T301 PolarHBondContact O-N 2.74Å; E299-L302 PolarHBondContact O-N 3.38Å; E299-G303 PolarHBondContact O-N 3.22Å; E299-H329 IonicContact OE1-CE1 2.62Å; E299-H329 IonicContact OE1-CG 3.71Å; E299-H329 IonicContact OE1-ND1 2.84Å; E299-H329 PolarHBondContact OE1-ND1 2.88Å; E299-H329 IonicContact OE2-ND1 2.81Å; E299-V330 HydrophobicContact CB-CG2 3.54Å; E299-V330 HydrophobicContact CG-CG2 4.37Å; E299-V330 VanDerWaalsContact OE2-CG2 3.25Å; E299-V330 WeakPolarHBondContact OE2-CG2 3.44Å; E299-V330 PolarHBondContact OE2-N 3.49Å; E299-L461 HydrophobicContact CG-CD1 3.94Å; E299-L461 HydrophobicContact CG-CD2 4.26Å; E299-L461 HydrophobicContact CG-CG 4.38Å
300I98.9Very high97.9Very high2 Ų222.1 Ų22.11%0.0111%0.11CC..Hα-helixtrans-61.9-39.5174.8-63.9161.8000110.2Y296 L302 G303 L304 L317 I322 V330 I332 L376 I379Y296-I300 WeakPolarHBondContact O-CD1 3.49Å; Y296-I300 WeakPolarHBondContact O-CG1 3.24Å; Y296-I300 PolarHBondContact O-N 2.72Å; I300-L302 VanDerWaalsContact C-N 3.34Å; I300-L302 PolarHBondContact O-N 3.47Å; I300-G303 PolarHBondContact O-N 3.23Å; I300-G303 VanDerWaalsContact O-N 3.15Å; I300-L304 HydrophobicContact CG2-CD1 4.37Å; I300-L304 HydrophobicContact CG2-CG 4.35Å; I300-L304 WeakPolarHBondContact O-CG 3.26Å; I300-L304 PolarHBondContact O-N 3.21Å; I300-L317 HydrophobicContact CG2-CD1 4.02Å; I300-L317 HydrophobicContact CG2-CD2 4.08Å; I300-I322 HydrophobicContact CD1-CD1 4.19Å; I300-I322 HydrophobicContact CD1-CG1 3.98Å; I300-I322 HydrophobicContact CD1-CG2 4.13Å; I300-I322 HydrophobicContact CG1-CD1 4.02Å; I300-I322 HydrophobicContact CG1-CG1 4.33Å; I300-I322 HydrophobicContact CG1-CG2 4.29Å; I300-V330 HydrophobicContact CG1-CG2 4.16Å; I300-I332 HydrophobicContact CG2-CD1 4.41Å; I300-L376 HydrophobicContact CB-CD1 4.11Å; I300-L376 HydrophobicContact CG2-CD1 3.81Å; I300-I379 HydrophobicContact CD1-CG2 4.23Å
301T98.8Very high98Very high0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-58.6-44.4175.9-60.70000111.2A297 A298 E299 G303 L304 Q305 W373 L376 V447 K448 W458A297-T301 WeakPolarHBondContact O-CB 3.36Å; A297-T301 PolarHBondContact O-N 2.88Å; A297-T301 PolarHBondContact O-OG1 3.01Å; A298-T301 WeakPolarHBondContact O-CB 3.17Å; A298-T301 PolarHBondContact O-N 3.44Å; E299-T301 VanDerWaalsContact C-N 3.28Å; E299-T301 PolarHBondContact O-N 2.74Å; T301-G303 VanDerWaalsContact C-N 3.35Å; T301-G303 PolarHBondContact O-N 3.41Å; T301-L304 PolarHBondContact O-N 3.06Å; T301-Q305 WeakPolarHBondContact O-CB 3.32Å; T301-Q305 PolarHBondContact O-N 2.77Å; T301-W373 HydrophobicContact CG2-CH2 4.2Å; T301-W373 HydrophobicContact CG2-CZ3 4.08Å; T301-L376 WeakPolarHBondContact OG1-CD2 3.3Å; T301-V447 HydrophobicContact CG2-CB 4.3Å; T301-V447 HydrophobicContact CG2-CG1 3.83Å; T301-K448 HydrophobicContact CG2-CG 4.11Å; T301-W458 HydrophobicContact CG2-CH2 4.27Å; T301-W458 HydrophobicContact CG2-CZ3 4.44Å
302L98.7Very high98Very high5 Ų518.5 Ų18.53%0.0269%0.092CC..Hα-helixtrans-66.5-35.6175.9-67.3173.4000112.4F249 A298 E299 I300 H306 W458 L461 E462F249-L302 HydrophobicContact CD1-CB 4.44Å; F249-L302 HydrophobicContact CD2-CB 3.36Å; F249-L302 HydrophobicContact CD2-CD1 4.2Å; F249-L302 HydrophobicContact CD2-CG 4.4Å; F249-L302 HydrophobicContact CE1-CD1 4.1Å; F249-L302 HydrophobicContact CE2-CB 3.53Å; F249-L302 HydrophobicContact CE2-CD1 3.47Å; F249-L302 VanDerWaalsContact CE2-CD1 3.47Å; F249-L302 HydrophobicContact CE2-CG 4.11Å; F249-L302 HydrophobicContact CG-CB 3.86Å; F249-L302 HydrophobicContact CZ-CB 4.15Å; F249-L302 HydrophobicContact CZ-CD1 3.41Å; F249-L302 VanDerWaalsContact CZ-CD1 3.41Å; F249-L302 HydrophobicContact CZ-CG 4.43Å; A298-L302 PolarHBondContact O-N 2.92Å; A298-L302 VanDerWaalsContact O-N 3.1Å; E299-L302 PolarHBondContact O-N 3.38Å; I300-L302 VanDerWaalsContact C-N 3.34Å; I300-L302 PolarHBondContact O-N 3.47Å; L302-H306 PolarHBondContact O-N 3.32Å; L302-W458 HydrophobicContact CD1-CE3 4.28Å; L302-W458 HydrophobicContact CD1-CZ3 4.48Å; L302-W458 HydrophobicContact CD2-CE3 4Å; L302-W458 HydrophobicContact CD2-CZ3 4.28Å; L302-W458 HydrophobicContact CG-CE3 4.1Å; L302-W458 HydrophobicContact CG-CZ3 4.05Å; L302-L461 HydrophobicContact CD1-CB 4.42Å; L302-L461 HydrophobicContact CD1-CD2 3.91Å; L302-L461 HydrophobicContact CD1-CG 3.94Å; L302-E462 HydrophobicContact CD1-CB 4.19Å
303G98.5Very high98.1Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-62.5-47.2172.800000112.8E299 I300 T301 H306 M307E299-G303 PolarHBondContact O-N 3.22Å; I300-G303 PolarHBondContact O-N 3.23Å; I300-G303 VanDerWaalsContact O-N 3.15Å; T301-G303 VanDerWaalsContact C-N 3.35Å; T301-G303 PolarHBondContact O-N 3.41Å; G303-H306 PolarHBondContact O-N 2.89Å; G303-M307 WeakPolarHBondContact O-CG 3.37Å; G303-M307 PolarHBondContact O-N 3.46Å; G303-M307 VanDerWaalsContact O-N 3.13Å
304L98.7Very high98.1Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-64.2-46.4176-69.6-179.1000111.7I300 T301 H306 M307 H308 L317 I332 D372 W373 L376I300-L304 HydrophobicContact CG2-CD1 4.37Å; I300-L304 HydrophobicContact CG2-CG 4.35Å; I300-L304 WeakPolarHBondContact O-CG 3.26Å; I300-L304 PolarHBondContact O-N 3.21Å; T301-L304 PolarHBondContact O-N 3.06Å; L304-H306 VanDerWaalsContact C-N 3.28Å; L304-H306 PolarHBondContact O-N 3.26Å; L304-M307 PolarHBondContact O-N 3.41Å; L304-M307 VanDerWaalsContact O-N 3.1Å; L304-H308 WeakPolarHBondContact O-CB 3.26Å; L304-H308 PolarHBondContact O-CD2 3.14Å; L304-H308 PolarHBondContact O-N 2.82Å; L304-L317 HydrophobicContact CD1-CD2 3.87Å; L304-L317 HydrophobicContact CD2-CD2 4.35Å; L304-L317 HydrophobicContact CG-CD2 4.48Å; L304-I332 HydrophobicContact CD2-CD1 3.9Å; L304-I332 HydrophobicContact CG-CD1 4.14Å; L304-D372 HydrophobicContact CD1-CB 4.13Å; L304-D372 HydrophobicContact CD2-CB 3.8Å; L304-W373 HydrophobicContact CB-CH2 4.14Å; L304-W373 HydrophobicContact CB-CZ3 4.28Å; L304-W373 HydrophobicContact CD1-CE3 3.95Å; L304-W373 HydrophobicContact CD1-CH2 4.49Å; L304-W373 HydrophobicContact CD1-CZ3 3.86Å; L304-L376 HydrophobicContact CD1-CB 4.32Å
305Q98.2Very high98Very high34 Ų3417.7 Ų17.716%0.1599%0.089CC..Hα-helixtrans-51.2-50.3175.1176.8-176.8-43.500110.5T301 M307 H308 T309 P444T301-Q305 WeakPolarHBondContact O-CB 3.32Å; T301-Q305 PolarHBondContact O-N 2.77Å; Q305-M307 PolarHBondContact O-N 3.25Å; Q305-H308 PolarHBondContact O-N 3.3Å; Q305-T309 PolarHBondContact O-N 3.42Å; Q305-T309 PolarHBondContact O-OG1 3.06Å; Q305-P444 HydrophobicContact CB-CB 3.84Å; Q305-P444 HydrophobicContact CB-CG 3.97Å; Q305-P444 HydrophobicContact CG-CB 3.78Å; Q305-P444 HydrophobicContact CG-CG 3.83Å
306H97.8Very high98Very high46 Ų4617.4 Ų17.421%0.2139%0.088CC..Hα-helixtrans-58.8-46.5178.9-175.893.7000112.1N246 L302 G303 L304 T309 Q310N246-H306 PolarHBondContact O-CE1 3Å; L302-H306 PolarHBondContact O-N 3.32Å; G303-H306 PolarHBondContact O-N 2.89Å; L304-H306 VanDerWaalsContact C-N 3.28Å; L304-H306 PolarHBondContact O-N 3.26Å; H306-T309 PolarHBondContact O-N 3.44Å; H306-Q310 WeakPolarHBondContact O-CG 3.46Å; H306-Q310 PolarHBondContact O-N 3.09Å
307M97.9Very high98Very high0 Ų017.6 Ų17.60%09%0.089CC..Hα-helixtrans-62.5-43.9178.4-67.8-175.968.700111.5V245 V250 G303 L304 Q305 Q310 N311 I312 Y314 I332 L335 A338V245-M307 HydrophobicContact CG2-CG 4.34Å; V250-M307 HydrophobicContact CG2-CG 4.2Å; V250-M307 HydrophobicContact CG2-SD 4.27Å; G303-M307 WeakPolarHBondContact O-CG 3.37Å; G303-M307 PolarHBondContact O-N 3.46Å; G303-M307 VanDerWaalsContact O-N 3.13Å; L304-M307 PolarHBondContact O-N 3.41Å; L304-M307 VanDerWaalsContact O-N 3.1Å; Q305-M307 PolarHBondContact O-N 3.25Å; M307-Q310 CarbonylContact O-C 3.57Å; M307-Q310 WeakPolarHBondContact O-CA 3.33Å; M307-Q310 WeakPolarHBondContact O-CB 3.33Å; M307-Q310 PolarHBondContact O-N 2.99Å; M307-Q310 VanDerWaalsContact O-N 3.08Å; M307-N311 PolarHBondContact O-N 3.11Å; M307-I312 CarbonylContact C-O 3.4Å; M307-I312 HydrophobicContact CB-CB 4.36Å; M307-I312 HydrophobicContact CE-CB 4.47Å; M307-I312 HydrophobicContact CE-CG2 3.53Å; M307-I312 WeakPolarHBondContact O-CB 3.21Å; M307-I312 PolarHBondContact O-N 3.1Å; M307-Y314 HydrophobicContact CE-CD2 3.96Å; M307-Y314 HydrophobicContact CE-CG 4.17Å; M307-Y314 HydrophobicContact SD-CD2 4.46Å; M307-Y314 HydrophobicContact SD-CG 4.38Å; M307-I332 HydrophobicContact SD-CD1 4.49Å; M307-L335 HydrophobicContact CE-CD2 3.96Å; M307-L335 HydrophobicContact CE-CG 4.24Å; M307-A338 HydrophobicContact CE-CB 4.21Å
308H97.4Very high97.9Very high15 Ų1519 Ų197%0.06910%0.095CC..Hα-helixtrans-66.2-38.7179.4-62.8172.7000112.2L304 Q305 Q310 N311 I312 F369 D372 W373L304-H308 WeakPolarHBondContact O-CB 3.26Å; L304-H308 PolarHBondContact O-CD2 3.14Å; L304-H308 PolarHBondContact O-N 2.82Å; Q305-H308 PolarHBondContact O-N 3.3Å; H308-Q310 PolarHBondContact O-N 3.1Å; H308-N311 VanDerWaalsContact O-CA 3.3Å; H308-N311 WeakPolarHBondContact O-CA 3.22Å; H308-N311 PolarHBondContact O-N 3.08Å; H308-I312 PolarHBondContact CD2-O 2.92Å; H308-F369 HydrophobicContact CB-CD1 4.28Å; H308-F369 HydrophobicContact CB-CD2 4.49Å; H308-F369 HydrophobicContact CB-CE1 4.5Å; H308-F369 HydrophobicContact CB-CG 4.29Å; H308-F369 AromaticContact CD2-CD1 3.51Å; H308-F369 AromaticContact CD2-CG 3.86Å; H308-F369 AromaticContact CG-CD1 3.87Å; H308-F369 AromaticContact CG-CG 3.83Å; H308-D372 IonicContact CD2-OD2 3.36Å; H308-D372 IonicContact CE1-OD2 2.93Å; H308-D372 IonicContact NE2-OD2 2.59Å; H308-D372 PolarHBondContact NE2-OD2 3.29Å; H308-W373 AromaticContact CE1-CE2 3.75Å; H308-W373 AromaticContact CE1-CZ2 3.8Å; H308-W373 AromaticContact CE1-NE1 3.79Å; H308-W373 AromaticContact ND1-CE2 3.89Å; H308-W373 AromaticContact ND1-CZ2 3.61Å; H308-W373 AromaticContact ND1-NE1 3.94Å
309T95.9Very high97.8Very high94 Ų9419 Ų1958%0.57710%0.095SC*.Hα-helixtrans-61-28.7172.5-57.30000112.1Q305 H306 N311Q305-T309 PolarHBondContact O-N 3.42Å; Q305-T309 PolarHBondContact O-OG1 3.06Å; H306-T309 PolarHBondContact O-N 3.44Å; T309-N311 PolarHBondContact O-N 3.29Å
310Q96Very high97.6Very high73 Ų7321.7 Ų21.734%0.34111%0.108SC..THydrogen-bonded Turntrans-86.19.6172.4-61.5-57.3-55.300113.3H306 M307 H308 I312 Y340H306-Q310 WeakPolarHBondContact O-CG 3.46Å; H306-Q310 PolarHBondContact O-N 3.09Å; M307-Q310 CarbonylContact O-C 3.57Å; M307-Q310 WeakPolarHBondContact O-CA 3.33Å; M307-Q310 WeakPolarHBondContact O-CB 3.33Å; M307-Q310 PolarHBondContact O-N 2.99Å; M307-Q310 VanDerWaalsContact O-N 3.08Å; H308-Q310 PolarHBondContact O-N 3.1Å; Q310-I312 HydrophobicContact CB-CD1 3.83Å; Q310-I312 HydrophobicContact CB-CG1 4.29Å; Q310-I312 PolarHBondContact O-N 3.39Å; Q310-Y340 WeakPolarHBondContact O-CE2 3.28Å
311N96.8Very high97.5Very high47 Ų4722.1 Ų22.125%0.25111%0.11SC..THydrogen-bonded Turntrans52.238-171.7-52.6-86.8000113.8M307 H308 T309 Y340 I341 F369M307-N311 PolarHBondContact O-N 3.11Å; H308-N311 VanDerWaalsContact O-CA 3.3Å; H308-N311 WeakPolarHBondContact O-CA 3.22Å; H308-N311 PolarHBondContact O-N 3.08Å; T309-N311 PolarHBondContact O-N 3.29Å; N311-Y340 HydrophobicContact CB-CD2 4.19Å; N311-Y340 HydrophobicContact CB-CE2 3.77Å; N311-Y340 CarbonylContact O-C 3.58Å; N311-Y340 WeakPolarHBondContact O-CA 3.48Å; N311-I341 WeakPolarHBondContact CB-O 3.36Å; N311-I341 PolarHBondContact O-N 3.34Å; N311-F369 HydrophobicContact CB-CZ 4.42Å
312I97.7Very high97.5Very high1 Ų122.1 Ų22.11%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-107.9123.8176.4-64.6159.6000108.5T241 R244 V245 M307 H308 Q310 A338 I339 Y340T241-I312 HydrophobicContact CG2-CD1 3.79Å; T241-I312 HydrophobicContact CG2-CG1 4.3Å; T241-I312 HydrophobicContact CG2-CG2 3.7Å; R244-I312 HydrophobicContact CB-CD1 4.28Å; V245-I312 HydrophobicContact CG2-CD1 3.94Å; M307-I312 CarbonylContact C-O 3.4Å; M307-I312 HydrophobicContact CB-CB 4.36Å; M307-I312 HydrophobicContact CE-CB 4.47Å; M307-I312 HydrophobicContact CE-CG2 3.53Å; M307-I312 WeakPolarHBondContact O-CB 3.21Å; M307-I312 PolarHBondContact O-N 3.1Å; H308-I312 PolarHBondContact CD2-O 2.92Å; Q310-I312 HydrophobicContact CB-CD1 3.83Å; Q310-I312 HydrophobicContact CB-CG1 4.29Å; Q310-I312 PolarHBondContact O-N 3.39Å; I312-A338 HydrophobicContact CG2-CB 3.97Å; I312-I339 WeakPolarHBondContact CA-O 3.13Å; I312-Y340 HydrophobicContact CG1-CD2 4.43Å
313V97.9Very high97.4Very high0 Ų023.8 Ų23.80%012%0.119CC..EExtended strand (participates in β ladder)trans-93.7135.8166.962.10000109.5R315 A338 I339 I341 T368 F369 D372V313-R315 HydrophobicContact CB-CG 4.25Å; V313-R315 HydrophobicContact CG1-CG 3.82Å; V313-R315 HydrophobicContact CG2-CG 3.6Å; V313-A338 VanDerWaalsContact O-CA 3.23Å; V313-A338 WeakPolarHBondContact O-CA 3.48Å; V313-I339 HydrophobicContact CG1-CD1 4.09Å; V313-I339 HydrophobicContact CG1-CG1 3.45Å; V313-I339 VanDerWaalsContact CG1-CG1 3.45Å; V313-I339 PolarHBondContact N-O 3.3Å; V313-I339 PolarHBondContact O-N 3.42Å; V313-I341 HydrophobicContact CB-CD1 4.11Å; V313-I341 HydrophobicContact CG1-CD1 3.65Å; V313-I341 HydrophobicContact CG1-CG1 4.05Å; V313-T368 VanDerWaalsContact CG2-O 3.27Å; V313-T368 WeakPolarHBondContact CG2-O 3.21Å; V313-F369 HydrophobicContact CB-CD1 4.02Å; V313-F369 HydrophobicContact CB-CE1 4.5Å; V313-D372 WeakPolarHBondContact CG2-OD2 3.38Å
314Y98.2Very high97.4Very high0 Ų023.8 Ų23.80%012%0.119CC..  trans-84.7-46.6-172.4176.6-132.7000113.8M307 D316 L317 N321 I332 S333 D334 L335 L337 A338 D372M307-Y314 HydrophobicContact CE-CD2 3.96Å; M307-Y314 HydrophobicContact CE-CG 4.17Å; M307-Y314 HydrophobicContact SD-CD2 4.46Å; M307-Y314 HydrophobicContact SD-CG 4.38Å; Y314-D316 VanDerWaalsContact C-N 3.28Å; Y314-D316 VanDerWaalsContact CE1-C 3.49Å; Y314-D316 PolarHBondContact O-N 2.97Å; Y314-D316 PolarHBondContact OH-O 3.43Å; Y314-L317 HydrophobicContact CD1-CB 3.9Å; Y314-L317 HydrophobicContact CD1-CD1 4.07Å; Y314-L317 HydrophobicContact CE1-CB 3.93Å; Y314-L317 HydrophobicContact CE1-CD1 3.8Å; Y314-L317 HydrophobicContact CE1-CG 4.48Å; Y314-N321 WeakPolarHBondContact OH-CB 3.33Å; Y314-N321 PolarHBondContact OH-ND2 2.98Å; Y314-I332 HydrophobicContact CD1-CG2 3.99Å; Y314-I332 HydrophobicContact CD2-CG2 4.22Å; Y314-I332 HydrophobicContact CE1-CG2 3.57Å; Y314-I332 HydrophobicContact CE2-CG2 3.84Å; Y314-I332 HydrophobicContact CG-CG2 4.31Å; Y314-S333 PolarHBondContact OH-O 3.09Å; Y314-D334 WeakPolarHBondContact CE2-O 3.37Å; Y314-L335 HydrophobicContact CD2-CG 4.46Å; Y314-L335 HydrophobicContact CE2-CG 4.4Å; Y314-L337 CarbonylContact O-C 3.46Å; Y314-A338 HydrophobicContact CD2-CB 4.4Å; Y314-D372 WeakPolarHBondContact CB-OD1 3.22Å; Y314-D372 PolarHBondContact N-OD1 3.44Å; Y314-D372 PolarHBondContact N-OD2 3.04Å
315R97.9Very high97.2Very high37 Ų3725.1 Ų25.114%0.1413%0.126CC..  trans66.73.2171.3-49.4-170.5-62.7175.9-1.9118.2V313 L337 V351 Y367 D372V313-R315 HydrophobicContact CB-CG 4.25Å; V313-R315 HydrophobicContact CG1-CG 3.82Å; V313-R315 HydrophobicContact CG2-CG 3.6Å; R315-L337 PolarHBondContact NE-O 3.21Å; R315-L337 PolarHBondContact NH2-O 3.05Å; R315-V351 HydrophobicContact CB-CG2 4.4Å; R315-Y367 WeakPolarHBondContact CD-OH 3.05Å; R315-Y367 HydrophobicContact CG-CE2 4.43Å; R315-Y367 PolarHBondContact NH1-OH 3.4Å; R315-Y367 VanDerWaalsContact NH1-OH 3.08Å; R315-D372 PolarHBondContact N-OD1 3.43Å
316D97.2Very high97Very high10 Ų1026.3 Ų26.35%0.05313%0.134CC..  trans-139.440.8176.8-159.138.3000112.9Y314 K318 N321 L337 T353Y314-D316 VanDerWaalsContact C-N 3.28Å; Y314-D316 VanDerWaalsContact CE1-C 3.49Å; Y314-D316 PolarHBondContact O-N 2.97Å; Y314-D316 PolarHBondContact OH-O 3.43Å; D316-K318 PolarHBondContact O-N 3.18Å; D316-K318 IonicContact OD1-NZ 3.96Å; D316-K318 PolarHBondContact OD1-NZ 3.05Å; D316-K318 IonicContact OD2-NZ 3.37Å; D316-K318 PolarHBondContact OD2-NZ 3.09Å; D316-N321 PolarHBondContact O-ND2 3.33Å; D316-N321 PolarHBondContact OD2-ND2 3.22Å; D316-L337 HydrophobicContact CB-CB 4.3Å; D316-L337 HydrophobicContact CB-CD1 3.9Å; D316-T353 PolarHBondContact OD1-N 3.37Å; D316-T353 PolarHBondContact OD1-OG1 3.22Å
317L98.2Very high96.8Very high5 Ų530.2 Ų30.23%0.02615%0.152CC..  trans-71.5111.3177.4-165.561.3000111.2I300 L304 Y314 I322 D372 L376 I379I300-L317 HydrophobicContact CG2-CD1 4.02Å; I300-L317 HydrophobicContact CG2-CD2 4.08Å; L304-L317 HydrophobicContact CD1-CD2 3.87Å; L304-L317 HydrophobicContact CD2-CD2 4.35Å; L304-L317 HydrophobicContact CG-CD2 4.48Å; Y314-L317 HydrophobicContact CD1-CB 3.9Å; Y314-L317 HydrophobicContact CD1-CD1 4.07Å; Y314-L317 HydrophobicContact CE1-CB 3.93Å; Y314-L317 HydrophobicContact CE1-CD1 3.8Å; Y314-L317 HydrophobicContact CE1-CG 4.48Å; L317-I322 HydrophobicContact CD1-CD1 3.68Å; L317-I322 HydrophobicContact CD1-CG1 4.37Å; L317-D372 WeakPolarHBondContact CD2-O 3.29Å; L317-L376 HydrophobicContact CD2-CB 4.04Å; L317-I379 HydrophobicContact CD1-CD1 3.8Å; L317-I379 HydrophobicContact CD2-CD1 4.42Å; L317-I379 HydrophobicContact CG-CD1 3.58Å; L317-I379 HydrophobicContact CG-CG1 4.46Å
318K97.1Very high96.8Very high29 Ų2930.2 Ų30.213%0.12615%0.152CC..  trans-153.7160.4178.466-165.5-175.3-1470110.7D316 E320 N321 T353 Y356D316-K318 PolarHBondContact O-N 3.18Å; D316-K318 IonicContact OD1-NZ 3.96Å; D316-K318 PolarHBondContact OD1-NZ 3.05Å; D316-K318 IonicContact OD2-NZ 3.37Å; D316-K318 PolarHBondContact OD2-NZ 3.09Å; K318-E320 HydrophobicContact CG-CB 4.25Å; K318-E320 WeakPolarHBondContact CG-OE2 3.37Å; K318-E320 PolarHBondContact O-N 3.32Å; K318-N321 WeakPolarHBondContact CE-ND2 3.3Å; K318-N321 WeakPolarHBondContact CE-OD1 3.41Å; K318-N321 HydrophobicContact CG-CB 4.23Å; K318-N321 PolarHBondContact O-N 3.46Å; K318-T353 HydrophobicContact CD-CG2 4.1Å; K318-T353 VanDerWaalsContact CD-OG1 3.27Å; K318-T353 WeakPolarHBondContact CD-OG1 3.37Å; K318-T353 PolarHBondContact NZ-OG1 3.33Å; K318-Y356 HydrophobicContact CB-CD1 4.09Å; K318-Y356 HydrophobicContact CB-CD2 4.04Å; K318-Y356 HydrophobicContact CB-CE1 4.2Å; K318-Y356 HydrophobicContact CB-CE2 4.11Å; K318-Y356 HydrophobicContact CB-CG 4.03Å
319P96.7Very high96.8Very high0 Ų030.9 Ų30.90%016%0.155CC..G310 helixtrans-59.2-30.4-175.9-25.135.1000114.5L275 K276 I279 N321 I322 Y356 I379 E382L275-P319 HydrophobicContact CB-CB 4.16Å; L275-P319 VanDerWaalsContact CB-O 3.27Å; L275-P319 WeakPolarHBondContact CB-O 3.23Å; L275-P319 PolarHBondContact N-O 2.82Å; L275-P319 VanDerWaalsContact N-O 3.14Å; K276-P319 HydrophobicContact CB-CB 3.94Å; K276-P319 PolarHBondContact N-O 3.1Å; I279-P319 HydrophobicContact CD1-CB 4.06Å; I279-P319 HydrophobicContact CD1-CG 4.2Å; P319-N321 PolarHBondContact O-N 2.87Å; P319-I322 PolarHBondContact O-N 2.91Å; P319-Y356 HydrophobicContact CG-CE1 4.41Å; P319-I379 HydrophobicContact CG-CG1 4.34Å; P319-E382 WeakPolarHBondContact CG-OE2 3.32Å
320E94.7Very high96.9Very high58 Ų5826.4 Ų26.427%0.27113%0.128SC..G310 helixtrans-62.6-27.9175.6-64.891.4156.200113.7D274 K276 K318D274-E320 WeakPolarHBondContact CB-O 3.3Å; K276-E320 HydrophobicContact CB-CG 4.14Å; K276-E320 HydrophobicContact CD-CG 3.5Å; K276-E320 VanDerWaalsContact CD-OE1 3.29Å; K276-E320 WeakPolarHBondContact CD-OE1 3.27Å; K276-E320 WeakPolarHBondContact CE-OE1 3.47Å; K276-E320 HydrophobicContact CG-CG 4.5Å; K276-E320 IonicContact NZ-OE1 2.78Å; K276-E320 PolarHBondContact NZ-OE1 3.1Å; K318-E320 HydrophobicContact CG-CB 4.25Å; K318-E320 WeakPolarHBondContact CG-OE2 3.37Å; K318-E320 PolarHBondContact O-N 3.32Å
321N97.1Very high97.1Very high10 Ų1024.8 Ų24.85%0.05312%0.118CC..G310 helixtrans-96.6-0.3-175.3-69-4.6000112.8Y314 D316 K318 P319 S333Y314-N321 WeakPolarHBondContact OH-CB 3.33Å; Y314-N321 PolarHBondContact OH-ND2 2.98Å; D316-N321 PolarHBondContact O-ND2 3.33Å; D316-N321 PolarHBondContact OD2-ND2 3.22Å; K318-N321 WeakPolarHBondContact CE-ND2 3.3Å; K318-N321 WeakPolarHBondContact CE-OD1 3.41Å; K318-N321 HydrophobicContact CG-CB 4.23Å; K318-N321 PolarHBondContact O-N 3.46Å; P319-N321 PolarHBondContact O-N 2.87Å; N321-S333 WeakPolarHBondContact O-CB 3.25Å; N321-S333 PolarHBondContact O-N 2.91Å; N321-S333 PolarHBondContact O-OG 2.95Å
322I98.4Very high97.1Very high0 Ų022.5 Ų22.50%011%0.106CC..EExtended strand (participates in β ladder)trans-100.3113.3172.9-57.7-52000108.2D274 L275 I300 L317 P319 V330 I332 I379D274-I322 CarbonylContact C-O 3.5Å; D274-I322 WeakPolarHBondContact CA-O 3.24Å; L275-I322 HydrophobicContact CB-CB 4Å; L275-I322 HydrophobicContact CB-CG2 4.28Å; L275-I322 HydrophobicContact CD2-CB 4.15Å; L275-I322 HydrophobicContact CD2-CG2 4.09Å; L275-I322 PolarHBondContact N-O 3.27Å; I300-I322 HydrophobicContact CD1-CD1 4.19Å; I300-I322 HydrophobicContact CD1-CG1 3.98Å; I300-I322 HydrophobicContact CD1-CG2 4.13Å; I300-I322 HydrophobicContact CG1-CD1 4.02Å; I300-I322 HydrophobicContact CG1-CG1 4.33Å; I300-I322 HydrophobicContact CG1-CG2 4.29Å; L317-I322 HydrophobicContact CD1-CD1 3.68Å; L317-I322 HydrophobicContact CD1-CG1 4.37Å; P319-I322 PolarHBondContact O-N 2.91Å; I322-V330 HydrophobicContact CG2-CB 3.62Å; I322-V330 HydrophobicContact CG2-CG1 3.75Å; I322-V330 HydrophobicContact CG2-CG2 4.18Å; I322-I332 HydrophobicContact CD1-CB 4.39Å; I322-I332 HydrophobicContact CD1-CG1 3.83Å; I322-I379 HydrophobicContact CG1-CD1 3.86Å
323L97.8Very high97.1Very high41 Ų4123 Ų2322%0.21511%0.11CC..EExtended strand (participates in β ladder)trans-108.2149.7-175.4-51.9-179.3000110.8M270 G273 D274 V330 R331 S333M270-L323 HydrophobicContact CB-CB 3.4Å; M270-L323 VanDerWaalsContact CB-CB 3.4Å; M270-L323 HydrophobicContact CB-CD1 3.88Å; M270-L323 HydrophobicContact CB-CG 4.28Å; M270-L323 HydrophobicContact CE-CB 4.19Å; M270-L323 WeakPolarHBondContact CE-O 3.4Å; M270-L323 HydrophobicContact CG-CB 3.68Å; M270-L323 HydrophobicContact CG-CD1 3.92Å; M270-L323 HydrophobicContact CG-CG 4.45Å; G273-L323 CarbonylContact O-C 3.59Å; G273-L323 WeakPolarHBondContact O-CA 3.4Å; D274-L323 HydrophobicContact CB-CD2 3.7Å; L323-V330 CarbonylContact O-C 3.5Å; L323-V330 WeakPolarHBondContact O-CA 3.19Å; L323-R331 PolarHBondContact N-O 3.41Å; L323-R331 PolarHBondContact O-N 3.47Å; L323-S333 WeakPolarHBondContact CG-OG 3.31Å
324I97.6Very high96.8Very high0 Ų026 Ų260%013%0.125CC..EExtended strand (participates in β ladder)trans-106.7137-179-58173.9000109.9M270 N271 G272 G273 L275 Y296 H329 V330 P472M270-I324 CarbonylContact C-O 3.58Å; M270-I324 WeakPolarHBondContact CA-O 3.47Å; N271-I324 PolarHBondContact N-O 3.01Å; G272-I324 VanDerWaalsContact CA-O 3.3Å; G272-I324 WeakPolarHBondContact CA-O 3.28Å; G272-I324 PolarHBondContact N-O 2.87Å; G273-I324 PolarHBondContact O-N 3.1Å; L275-I324 HydrophobicContact CD1-CD1 4.29Å; Y296-I324 HydrophobicContact CE2-CD1 4.5Å; I324-H329 CarbonylContact C-O 3.54Å; I324-H329 WeakPolarHBondContact CA-O 3.44Å; I324-V330 HydrophobicContact CG1-CG1 3.76Å; I324-P472 HydrophobicContact CG2-CG 3.75Å
325D95.2Very high96.6Very high27 Ų2726 Ų2614%0.14413%0.126CC..  trans-90.2177.7174.170.120.8000112.8M270 Q327 G328 H329 P472M270-D325 HydrophobicContact CE-CB 3.78Å; M270-D325 HydrophobicContact SD-CB 4.07Å; D325-Q327 PolarHBondContact O-N 2.94Å; D325-Q327 WeakPolarHBondContact OD1-CA 3.48Å; D325-Q327 PolarHBondContact OD1-N 3.33Å; D325-G328 PolarHBondContact O-N 3.46Å; D325-G328 PolarHBondContact OD1-N 3.25Å; D325-H329 PolarHBondContact N-O 3.38Å; D325-H329 PolarHBondContact OD1-N 2.79Å; D325-P472 WeakPolarHBondContact O-CG 3.48Å
326D92.6Very high96.3Very high60 Ų6025 Ų2532%0.32113%0.127SC..THydrogen-bonded Turntrans-65.8-16.5-178.4-67-59.3000113.6K16 N271 L471K16-D326 VanDerWaalsContact CE-OD1 3.23Å; K16-D326 WeakPolarHBondContact CE-OD1 3.18Å; K16-D326 IonicContact NZ-OD1 2.85Å; K16-D326 PolarHBondContact NZ-OD1 2.95Å; K16-D326 VanDerWaalsContact NZ-OD1 3.08Å; N271-D326 WeakPolarHBondContact CB-OD1 3.36Å; N271-D326 PolarHBondContact ND2-OD1 2.77Å; N271-D326 PolarHBondContact ND2-OD2 2.86Å; D326-L471 VanDerWaalsContact O-CD1 3.23Å; D326-L471 WeakPolarHBondContact O-CD1 3.41Å
327Q94.8Very high96.1Very high127 Ų12726.8 Ų26.859%0.59314%0.136SC*.THydrogen-bonded Turntrans-950.1176.3-61.8-56.2-42.400112.3D325 A468D325-Q327 PolarHBondContact O-N 2.94Å; D325-Q327 WeakPolarHBondContact OD1-CA 3.48Å; D325-Q327 PolarHBondContact OD1-N 3.33Å; Q327-A468 WeakPolarHBondContact O-CB 3.5Å
328G96.8Very high96Very high0 Ų026.6 Ų26.60%014%0.136CC..SBendtrans88.62.8176.800000115.2Y296 D325 F470Y296-G328 WeakPolarHBondContact CE1-O 3.5Å; D325-G328 PolarHBondContact O-N 3.46Å; D325-G328 PolarHBondContact OD1-N 3.25Å; G328-F470 VanDerWaalsContact CA-O 3.27Å; G328-F470 WeakPolarHBondContact CA-O 3.38Å
329H98.4Very high95.9Very high29 Ų2926.7 Ų26.713%0.13414%0.137CC..  trans-81.2147.2177.5-66.2-81.3000111.5F295 E299 I324 D325 E466F295-H329 AromaticContact CE1-ND1 3.95Å; F295-H329 AromaticContact CZ-CE1 3.95Å; F295-H329 AromaticContact CZ-ND1 3.92Å; E299-H329 IonicContact OE1-CE1 2.62Å; E299-H329 IonicContact OE1-CG 3.71Å; E299-H329 IonicContact OE1-ND1 2.84Å; E299-H329 PolarHBondContact OE1-ND1 2.88Å; E299-H329 IonicContact OE2-ND1 2.81Å; I324-H329 CarbonylContact C-O 3.54Å; I324-H329 WeakPolarHBondContact CA-O 3.44Å; D325-H329 PolarHBondContact N-O 3.38Å; D325-H329 PolarHBondContact OD1-N 2.79Å; H329-E466 PolarHBondContact CE1-O 2.56Å
330V98.6Very high95.9Very high1 Ų130.8 Ų30.81%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-97149.4179-66.80000113.5Y296 E299 I300 I322 L323 I324Y296-V330 HydrophobicContact CD1-CB 4.33Å; Y296-V330 HydrophobicContact CD1-CG1 3.46Å; Y296-V330 VanDerWaalsContact CD1-CG1 3.46Å; Y296-V330 HydrophobicContact CD1-CG2 4Å; Y296-V330 HydrophobicContact CD2-CG1 4.38Å; Y296-V330 HydrophobicContact CE1-CG1 3.74Å; Y296-V330 HydrophobicContact CG-CG1 3.83Å; Y296-V330 HydrophobicContact CG-CG2 4.35Å; E299-V330 HydrophobicContact CB-CG2 3.54Å; E299-V330 HydrophobicContact CG-CG2 4.37Å; E299-V330 VanDerWaalsContact OE2-CG2 3.25Å; E299-V330 WeakPolarHBondContact OE2-CG2 3.44Å; E299-V330 PolarHBondContact OE2-N 3.49Å; I300-V330 HydrophobicContact CG1-CG2 4.16Å; I322-V330 HydrophobicContact CG2-CB 3.62Å; I322-V330 HydrophobicContact CG2-CG1 3.75Å; I322-V330 HydrophobicContact CG2-CG2 4.18Å; L323-V330 CarbonylContact O-C 3.5Å; L323-V330 WeakPolarHBondContact O-CA 3.19Å; I324-V330 HydrophobicContact CG1-CG1 3.76Å
331R98.7Very high95.9Very high38 Ų3828.5 Ų28.514%0.14314%0.143CC..EExtended strand (participates in β ladder)trans-135.5145.1168.7-56.5-173.2-173.7-132.5-3.4112.1S247 R248 F249 V250 V251 N252 M270 L323S247-R331 PolarHBondContact O-NH1 2.95Å; R248-R331 VanDerWaalsContact O-CD 3.26Å; R248-R331 WeakPolarHBondContact O-CD 3.48Å; R248-R331 VanDerWaalsContact O-CG 3.25Å; R248-R331 WeakPolarHBondContact O-CG 3.17Å; R248-R331 PolarHBondContact O-NE 3.01Å; R248-R331 PolarHBondContact O-NH1 3.32Å; R248-R331 VanDerWaalsContact O-NH1 3.14Å; F249-R331 CarbonylContact O-C 3.39Å; F249-R331 WeakPolarHBondContact O-CA 3.13Å; V250-R331 PolarHBondContact O-NH1 3.18Å; V251-R331 HydrophobicContact CG1-CB 4.18Å; N252-R331 PolarHBondContact ND2-NH1 2.91Å; M270-R331 HydrophobicContact CE-CB 3.71Å; M270-R331 HydrophobicContact CE-CG 3.53Å; M270-R331 HydrophobicContact SD-CB 4.28Å; M270-R331 HydrophobicContact SD-CG 4.05Å; L323-R331 PolarHBondContact N-O 3.41Å; L323-R331 PolarHBondContact O-N 3.47Å
332I98.7Very high95.9Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-68.4135.6167.3-57.9173.5000109.1F249 V250 V251 I300 L304 M307 Y314 I322F249-I332 PolarHBondContact O-N 2.89Å; V250-I332 WeakPolarHBondContact CA-O 3.3Å; V250-I332 HydrophobicContact CG1-CB 4.46Å; V250-I332 HydrophobicContact CG2-CB 4.35Å; V251-I332 PolarHBondContact N-O 2.88Å; I300-I332 HydrophobicContact CG2-CD1 4.41Å; L304-I332 HydrophobicContact CD2-CD1 3.9Å; L304-I332 HydrophobicContact CG-CD1 4.14Å; M307-I332 HydrophobicContact SD-CD1 4.49Å; Y314-I332 HydrophobicContact CD1-CG2 3.99Å; Y314-I332 HydrophobicContact CD2-CG2 4.22Å; Y314-I332 HydrophobicContact CE1-CG2 3.57Å; Y314-I332 HydrophobicContact CE2-CG2 3.84Å; Y314-I332 HydrophobicContact CG-CG2 4.31Å; I322-I332 HydrophobicContact CD1-CB 4.39Å; I322-I332 HydrophobicContact CD1-CG1 3.83Å
333S96.2Very high95.7Very high11 Ų1138.4 Ų38.48%0.07720%0.196CC..  trans-131.3177.4179.473.70000112.5Y314 N321 L323Y314-S333 PolarHBondContact OH-O 3.09Å; N321-S333 WeakPolarHBondContact O-CB 3.25Å; N321-S333 PolarHBondContact O-N 2.91Å; N321-S333 PolarHBondContact O-OG 2.95Å; L323-S333 WeakPolarHBondContact CG-OG 3.31Å
334D92.6Very high95.5Very high62 Ų6240.8 Ų40.833%0.33223%0.231SC..  trans51.574.5178.7-158.715.4000115K219 Y314 G336K219-D334 IonicContact NZ-OD1 3.49Å; K219-D334 PolarHBondContact NZ-OD1 2.78Å; Y314-D334 WeakPolarHBondContact CE2-O 3.37Å; D334-G336 PolarHBondContact O-N 2.91Å
335L94Very high95.4Very high1 Ų142 Ų421%0.00524%0.244CC..G310 helixtrans-84.116.4-177.5-77.769.4000112.8E238 T241 L242 V245 V250 V251 M307 Y314 L337 A338E238-L335 HydrophobicContact CG-CB 4.45Å; T241-L335 HydrophobicContact CG2-CB 4.5Å; T241-L335 HydrophobicContact CG2-CD2 3.7Å; L242-L335 HydrophobicContact CD2-CD1 4.08Å; L242-L335 HydrophobicContact CD2-CD2 4.04Å; L242-L335 HydrophobicContact CD2-CG 4.46Å; L242-L335 HydrophobicContact CG-CB 4.48Å; L242-L335 HydrophobicContact CG-CD2 4.36Å; V245-L335 HydrophobicContact CG2-CD2 4.44Å; V250-L335 HydrophobicContact CG1-CD1 4Å; V250-L335 HydrophobicContact CG1-CD2 4.24Å; V251-L335 HydrophobicContact CG2-CD1 4.48Å; M307-L335 HydrophobicContact CE-CD2 3.96Å; M307-L335 HydrophobicContact CE-CG 4.24Å; Y314-L335 HydrophobicContact CD2-CG 4.46Å; Y314-L335 HydrophobicContact CE2-CG 4.4Å; L335-L337 PolarHBondContact O-N 3.29Å; L335-L337 VanDerWaalsContact O-N 3.09Å; L335-A338 HydrophobicContact CB-CB 4.12Å; L335-A338 HydrophobicContact CG-CB 4.46Å; L335-A338 WeakPolarHBondContact O-CB 3.42Å; L335-A338 PolarHBondContact O-N 3.48Å
336G90.9Very high95.5Very high16 Ų1644 Ų4417%0.16526%0.257CS..G310 helixtrans-62.9-17.9-175.600000115.2D334D334-G336 PolarHBondContact O-N 2.91Å
337L93.6Very high95.7Very high47 Ų4741.5 Ų41.525%0.24625%0.245CC..G310 helixtrans-106.7-2.5174.4-63.5-176.2000113.6Y314 R315 D316 L335Y314-L337 CarbonylContact O-C 3.46Å; R315-L337 PolarHBondContact NE-O 3.21Å; R315-L337 PolarHBondContact NH2-O 3.05Å; D316-L337 HydrophobicContact CB-CB 4.3Å; D316-L337 HydrophobicContact CB-CD1 3.9Å; L335-L337 PolarHBondContact O-N 3.29Å; L335-L337 VanDerWaalsContact O-N 3.09Å
338A96.1Very high95.7Very high2 Ų241.4 Ų41.42%0.01724%0.243CC..  trans-69.5147.3178.300000110.8T241 M307 I312 V313 Y314 L335T241-A338 HydrophobicContact CG2-CB 3.99Å; M307-A338 HydrophobicContact CE-CB 4.21Å; I312-A338 HydrophobicContact CG2-CB 3.97Å; V313-A338 VanDerWaalsContact O-CA 3.23Å; V313-A338 WeakPolarHBondContact O-CA 3.48Å; Y314-A338 HydrophobicContact CD2-CB 4.4Å; L335-A338 HydrophobicContact CB-CB 4.12Å; L335-A338 HydrophobicContact CG-CB 4.46Å; L335-A338 WeakPolarHBondContact O-CB 3.42Å; L335-A338 PolarHBondContact O-N 3.48Å
339I95.2Very high95.6Very high31 Ų3142.2 Ų42.216%0.15925%0.251CS..EExtended strand (participates in β ladder)trans-138.6149.7174.955.8170000110.9M237 I312 V313 A347M237-I339 HydrophobicContact SD-CG2 3.75Å; I312-I339 WeakPolarHBondContact CA-O 3.13Å; V313-I339 HydrophobicContact CG1-CD1 4.09Å; V313-I339 HydrophobicContact CG1-CG1 3.45Å; V313-I339 VanDerWaalsContact CG1-CG1 3.45Å; V313-I339 PolarHBondContact N-O 3.3Å; V313-I339 PolarHBondContact O-N 3.42Å; I339-A347 HydrophobicContact CD1-CB 3.47Å; I339-A347 VanDerWaalsContact CD1-CB 3.47Å
340Y95.7Very high95.5Very high86 Ų8645.3 Ų45.334%0.33726%0.261SS..EExtended strand (participates in β ladder)trans-77.5135.6166.5-178.9-104.8000110R244 Q310 N311 I312 E342R244-Y340 VanDerWaalsContact NH1-CD2 3.31Å; Q310-Y340 WeakPolarHBondContact O-CE2 3.28Å; N311-Y340 HydrophobicContact CB-CD2 4.19Å; N311-Y340 HydrophobicContact CB-CE2 3.77Å; N311-Y340 CarbonylContact O-C 3.58Å; N311-Y340 WeakPolarHBondContact O-CA 3.48Å; I312-Y340 HydrophobicContact CG1-CD2 4.43Å; Y340-E342 HydrophobicContact CE1-CG 4.22Å; Y340-E342 WeakPolarHBondContact CE1-OE1 3.36Å
341I96.2Very high95.4Very high9 Ų947.5 Ų47.55%0.04628%0.275CS..  trans-112.2124.5171.3-59.2-177.1000106.4N311 V313 G345 A347 F369N311-I341 WeakPolarHBondContact CB-O 3.36Å; N311-I341 PolarHBondContact O-N 3.34Å; V313-I341 HydrophobicContact CB-CD1 4.11Å; V313-I341 HydrophobicContact CG1-CD1 3.65Å; V313-I341 HydrophobicContact CG1-CG1 4.05Å; I341-G345 WeakPolarHBondContact CG2-O 3.23Å; I341-A347 HydrophobicContact CD1-CB 3.91Å; I341-A347 HydrophobicContact CG1-CB 4.25Å; I341-F369 HydrophobicContact CD1-CE1 4.48Å
342E95.7Very high95.2Very high128 Ų12846.7 Ų46.760%0.59828%0.278SS*.  trans-57.7144.7173-68.7-68.4163.500110.3Y340 G344 G345Y340-E342 HydrophobicContact CE1-CG 4.22Å; Y340-E342 WeakPolarHBondContact CE1-OE1 3.36Å; E342-G344 PolarHBondContact O-N 2.94Å; E342-G345 WeakPolarHBondContact O-CA 3.44Å; E342-G345 PolarHBondContact O-N 3.22Å
343P94.4Very high95Very high90 Ų9048.8 Ų48.858%0.58429%0.291SS*.THydrogen-bonded Turntrans-52.2127175.9-27.535.5000112.2G345P343-G345 PolarHBondContact O-N 3.17Å
344G92.8Very high94.9Very high92 Ų9249.4 Ų49.495%0.94830%0.297SS*.THydrogen-bonded Turntrans76.8-2.2-174.200000115.1E342E342-G344 PolarHBondContact O-N 2.94Å
345G96.5Very high95Very high26 Ų2646.7 Ų46.727%0.26828%0.283SS..  trans-82.3174.6176.500000113.9I341 E342 P343I341-G345 WeakPolarHBondContact CG2-O 3.23Å; E342-G345 WeakPolarHBondContact O-CA 3.44Å; E342-G345 PolarHBondContact O-N 3.22Å; P343-G345 PolarHBondContact O-N 3.17Å
346T97.3Very high95.2Very high68 Ų6848 Ų4842%0.41729%0.288SS..  trans-137.2151.6172.855.70000110.5R366 T368T346-R366 PolarHBondContact OG1-NH1 2.92Å; T346-T368 HydrophobicContact CG2-CG2 4.04Å
347A96.1Very high95.5Very high8 Ų847.7 Ų47.77%0.06628%0.282CS..EExtended strand (participates in β ladder)trans-96.7158.517000000111.2I339 I341 R366 Y367I339-A347 HydrophobicContact CD1-CB 3.47Å; I339-A347 VanDerWaalsContact CD1-CB 3.47Å; I341-A347 HydrophobicContact CD1-CB 3.91Å; I341-A347 HydrophobicContact CG1-CB 4.25Å; A347-R366 VanDerWaalsContact O-CA 3.29Å; A347-R366 WeakPolarHBondContact O-CA 3.4Å; A347-Y367 HydrophobicContact CB-CD2 4.09Å; A347-Y367 HydrophobicContact CB-CE2 3.68Å; A347-Y367 PolarHBondContact N-O 3.32Å; A347-Y367 PolarHBondContact O-N 2.92Å
348K95.9Very high95.7Very high125 Ų12545.5 Ų45.554%0.54327%0.271SS..EExtended strand (participates in β ladder)trans-140.6135.1168.1-170.6-179.9-172.8-178.90108.6N364 R366K348-N364 WeakPolarHBondContact CE-O 3.27Å; K348-R366 HydrophobicContact CB-CG 4.35Å
349G94.6Very high95.9Very high17 Ų1745.4 Ų45.418%0.17527%0.271CS..  trans156.1132.6174.400000112.2V351 Y367G349-V351 PolarHBondContact O-N 2.81Å; G349-V351 VanDerWaalsContact O-N 3.17Å; G349-Y367 PolarHBondContact O-OH 3.49Å
350R96.6Very high96Very high94 Ų9444.2 Ų44.236%0.35526%0.264SS..  trans-83.482.1177-171.9176.2-174.9-122.1-10.5110.8M357 V361 D403R350-M357 HydrophobicContact CG-SD 4.32Å; R350-V361 WeakPolarHBondContact CG-O 3.47Å; R350-D403 IonicContact CZ-OD2 3.08Å; R350-D403 IonicContact NH2-OD1 3.22Å; R350-D403 PolarHBondContact NH2-OD1 2.87Å; R350-D403 IonicContact NH2-OD2 2.89Å; R350-D403 PolarHBondContact NH2-OD2 3.25Å
351V95.1Very high96.1Very high47 Ų4740.3 Ų40.329%0.28525%0.249SC..  trans-127.3156.5178-61.60000110.6R315 G349 V361R315-V351 HydrophobicContact CB-CG2 4.4Å; G349-V351 PolarHBondContact O-N 2.81Å; G349-V351 VanDerWaalsContact O-N 3.17Å; V351-V361 WeakPolarHBondContact O-CG1 3.48Å
352G95Very high96.2Very high21 Ų2140.9 Ų40.922%0.21625%0.253CS..SBendtrans118-179.7-177.400000112.6
353T94.5Very high96.3Very high43 Ų4340.3 Ų40.326%0.26425%0.252SS..  trans-88.9132-176.6-58.30000111.5D316 K318 G355 Y356 M357D316-T353 PolarHBondContact OD1-N 3.37Å; D316-T353 PolarHBondContact OD1-OG1 3.22Å; K318-T353 HydrophobicContact CD-CG2 4.1Å; K318-T353 VanDerWaalsContact CD-OG1 3.27Å; K318-T353 WeakPolarHBondContact CD-OG1 3.37Å; K318-T353 PolarHBondContact NZ-OG1 3.33Å; T353-G355 PolarHBondContact O-N 2.8Å; T353-Y356 HydrophobicContact CG2-CD2 3.88Å; T353-Y356 HydrophobicContact CG2-CE2 4.31Å; T353-Y356 PolarHBondContact O-N 2.73Å; T353-M357 PolarHBondContact O-N 3.27Å; T353-M357 VanDerWaalsContact O-N 3.13Å
354A93.5Very high96.4Very high25 Ų2539.3 Ų39.321%0.20724%0.242CC..THydrogen-bonded Turntrans-58.1132.6178.800000111.6Y356 M357 R399A354-Y356 VanDerWaalsContact C-N 3.34Å; A354-M357 HydrophobicContact CB-CE 4.35Å; A354-R399 HydrophobicContact CB-CG 4.26Å
355G95.3Very high96.6Very high4 Ų437.9 Ų37.94%0.04122%0.215CC..THydrogen-bonded Turntrans91.7-17.7-173.400000114.7T353T353-G355 PolarHBondContact O-N 2.8Å
356Y97.5Very high96.7Very high30 Ų3044.5 Ų44.512%0.11823%0.232CC..THydrogen-bonded Turntrans-112.3-16.5174.8-58.1-87.5000112.8K318 P319 T353 A354 A358 C378 E382K318-Y356 HydrophobicContact CB-CD1 4.09Å; K318-Y356 HydrophobicContact CB-CD2 4.04Å; K318-Y356 HydrophobicContact CB-CE1 4.2Å; K318-Y356 HydrophobicContact CB-CE2 4.11Å; K318-Y356 HydrophobicContact CB-CG 4.03Å; P319-Y356 HydrophobicContact CG-CE1 4.41Å; T353-Y356 HydrophobicContact CG2-CD2 3.88Å; T353-Y356 HydrophobicContact CG2-CE2 4.31Å; T353-Y356 PolarHBondContact O-N 2.73Å; A354-Y356 VanDerWaalsContact C-N 3.34Å; Y356-A358 PolarHBondContact O-N 3.22Å; Y356-C378 HydrophobicContact CD1-CB 3.71Å; Y356-C378 HydrophobicContact CE1-CB 4.2Å; Y356-E382 WeakPolarHBondContact CE1-OE2 3.18Å; Y356-E382 PolarHBondContact OH-OE2 2.88Å
357M98.1Very high96.7Very high8 Ų841.5 Ų41.54%0.03921%0.213CC..SBendtrans-62.9131.9171.3-71.5-177.2-69.800110.2R350 T353 A354 V361 V362 V406R350-M357 HydrophobicContact CG-SD 4.32Å; T353-M357 PolarHBondContact O-N 3.27Å; T353-M357 VanDerWaalsContact O-N 3.13Å; A354-M357 HydrophobicContact CB-CE 4.35Å; M357-V361 HydrophobicContact CB-CB 4.32Å; M357-V361 HydrophobicContact CB-CG1 4.26Å; M357-V361 HydrophobicContact CG-CG1 4.16Å; M357-V361 HydrophobicContact SD-CG1 4.11Å; M357-V362 HydrophobicContact CB-CG2 3.93Å; M357-V406 VanDerWaalsContact O-CG1 3.26Å; M357-V406 WeakPolarHBondContact O-CG1 3.42Å
358A98.4Very high96.7Very high1 Ų143.9 Ų43.91%0.00823%0.227CC..  trans-67.9156.5174.800000112.2Y356 E360 V361 V362 P371 F374Y356-A358 PolarHBondContact O-N 3.22Å; A358-E360 VanDerWaalsContact C-N 3.28Å; A358-E360 VanDerWaalsContact CB-CD 3.47Å; A358-E360 HydrophobicContact CB-CG 4.45Å; A358-E360 WeakPolarHBondContact CB-OE1 3.43Å; A358-E360 VanDerWaalsContact CB-OE2 3.26Å; A358-E360 WeakPolarHBondContact CB-OE2 3.44Å; A358-E360 PolarHBondContact O-N 3.46Å; A358-V361 HydrophobicContact CB-CG2 4.35Å; A358-V361 WeakPolarHBondContact O-CA 3.37Å; A358-V361 WeakPolarHBondContact O-CB 3.25Å; A358-V361 PolarHBondContact O-N 2.94Å; A358-V362 PolarHBondContact O-N 3.29Å; A358-P371 HydrophobicContact CB-CB 4.2Å; A358-F374 VanDerWaalsContact CA-CD1 3.5Å; A358-F374 HydrophobicContact CB-CB 3.64Å; A358-F374 HydrophobicContact CB-CD1 3.83Å; A358-F374 HydrophobicContact CB-CD2 4.31Å; A358-F374 HydrophobicContact CB-CG 3.66Å
359P98.5Very high96.8Very high1 Ų140.2 Ų40.21%0.00621%0.211CC..Hα-helixtrans-53.5-41.4-179-29.337.7000113.6V361 V362 M363 F374 V406 K431P359-V361 VanDerWaalsContact C-N 3.25Å; P359-V361 PolarHBondContact O-N 3.1Å; P359-V362 PolarHBondContact O-N 3.1Å; P359-M363 VanDerWaalsContact C-CE 3.47Å; P359-M363 HydrophobicContact CB-CE 3.56Å; P359-M363 WeakPolarHBondContact O-CB 3.49Å; P359-M363 VanDerWaalsContact O-CE 3.3Å; P359-M363 WeakPolarHBondContact O-CE 3.47Å; P359-M363 WeakPolarHBondContact O-CG 3.49Å; P359-M363 PolarHBondContact O-N 3.29Å; P359-F374 HydrophobicContact CG-CE2 4.27Å; P359-V406 HydrophobicContact CG-CG1 4.11Å; P359-K431 HydrophobicContact CG-CB 4.24Å; P359-K431 HydrophobicContact CG-CD 3.96Å
360E98.2Very high97Very high5 Ų539.8 Ų39.82%0.02321%0.205CC..Hα-helixtrans-63-30.2177.168.6-88.7-158.400113A358 N364 T365 S370 R436A358-E360 VanDerWaalsContact C-N 3.28Å; A358-E360 VanDerWaalsContact CB-CD 3.47Å; A358-E360 HydrophobicContact CB-CG 4.45Å; A358-E360 WeakPolarHBondContact CB-OE1 3.43Å; A358-E360 VanDerWaalsContact CB-OE2 3.26Å; A358-E360 WeakPolarHBondContact CB-OE2 3.44Å; A358-E360 PolarHBondContact O-N 3.46Å; E360-N364 PolarHBondContact O-N 3.1Å; E360-T365 WeakPolarHBondContact CA-OG1 3.32Å; E360-T365 VanDerWaalsContact CB-OG1 3.25Å; E360-T365 WeakPolarHBondContact CB-OG1 3.22Å; E360-T365 PolarHBondContact O-N 3.27Å; E360-T365 PolarHBondContact O-OG1 2.85Å; E360-S370 VanDerWaalsContact OE1-CB 3.31Å; E360-S370 WeakPolarHBondContact OE1-CB 3.28Å; E360-S370 PolarHBondContact OE1-OG 3.16Å; E360-R436 IonicContact OE1-CZ 3.74Å; E360-R436 IonicContact OE1-NH1 3.71Å; E360-R436 PolarHBondContact OE1-NH1 2.74Å; E360-R436 IonicContact OE1-NH2 2.68Å; E360-R436 IonicContact OE2-CZ 2.85Å; E360-R436 IonicContact OE2-NH1 3.69Å; E360-R436 PolarHBondContact OE2-NH1 2.87Å; E360-R436 IonicContact OE2-NH2 3.27Å; E360-R436 PolarHBondContact OE2-NH2 2.92Å
361V98.4Very high97.1Very high4 Ų435.8 Ų35.82%0.02419%0.191CC..Hα-helixtrans-75.6-42.4174.7-178.60000110.6R350 V351 M357 A358 P359 N364 Y367 P371R350-V361 WeakPolarHBondContact CG-O 3.47Å; V351-V361 WeakPolarHBondContact O-CG1 3.48Å; M357-V361 HydrophobicContact CB-CB 4.32Å; M357-V361 HydrophobicContact CB-CG1 4.26Å; M357-V361 HydrophobicContact CG-CG1 4.16Å; M357-V361 HydrophobicContact SD-CG1 4.11Å; A358-V361 HydrophobicContact CB-CG2 4.35Å; A358-V361 WeakPolarHBondContact O-CA 3.37Å; A358-V361 WeakPolarHBondContact O-CB 3.25Å; A358-V361 PolarHBondContact O-N 2.94Å; P359-V361 VanDerWaalsContact C-N 3.25Å; P359-V361 PolarHBondContact O-N 3.1Å; V361-N364 PolarHBondContact O-N 3.36Å; V361-N364 VanDerWaalsContact O-N 3.08Å; V361-Y367 HydrophobicContact CG2-CD1 4.01Å; V361-Y367 HydrophobicContact CG2-CE1 3.87Å; V361-P371 HydrophobicContact CG2-CB 3.75Å; V361-P371 HydrophobicContact CG2-CG 3.54Å
362V97.9Very high97.3Very high22 Ų2233.6 Ų33.613%0.13318%0.178CC..Hα-helixtrans-61.7-45177.1174.90000110.7M357 A358 P359 N364 D403 V406M357-V362 HydrophobicContact CB-CG2 3.93Å; A358-V362 PolarHBondContact O-N 3.29Å; P359-V362 PolarHBondContact O-N 3.1Å; V362-N364 PolarHBondContact O-N 3.15Å; V362-D403 HydrophobicContact CG1-CB 3.72Å; V362-V406 HydrophobicContact CG2-CG1 4.25Å
363M97Very high97.5Very high115 Ų11532.7 Ų32.757%0.56717%0.168SC*.THydrogen-bonded Turntrans-74.1-2.5175.9-67.7-175.9-90.500113.5P359 T365P359-M363 VanDerWaalsContact C-CE 3.47Å; P359-M363 HydrophobicContact CB-CE 3.56Å; P359-M363 WeakPolarHBondContact O-CB 3.49Å; P359-M363 VanDerWaalsContact O-CE 3.3Å; P359-M363 WeakPolarHBondContact O-CE 3.47Å; P359-M363 WeakPolarHBondContact O-CG 3.49Å; P359-M363 PolarHBondContact O-N 3.29Å; M363-T365 VanDerWaalsContact C-N 3.26Å; M363-T365 HydrophobicContact CB-CG2 4.02Å; M363-T365 PolarHBondContact O-N 3.11Å
364N97.1Very high97.7Very high70 Ų7030.6 Ų30.637%0.37416%0.155SC..THydrogen-bonded Turntrans54.440.7179.5-167.139.5000112.7K348 E360 V361 V362K348-N364 WeakPolarHBondContact CE-O 3.27Å; E360-N364 PolarHBondContact O-N 3.1Å; V361-N364 PolarHBondContact O-N 3.36Å; V361-N364 VanDerWaalsContact O-N 3.08Å; V362-N364 PolarHBondContact O-N 3.15Å
365T97.4Very high97.9Very high62 Ų6229.5 Ų29.538%0.3815%0.146SC..  trans-87.6175.7172.565.10000110.4E360 M363 Y367E360-T365 WeakPolarHBondContact CA-OG1 3.32Å; E360-T365 VanDerWaalsContact CB-OG1 3.25Å; E360-T365 WeakPolarHBondContact CB-OG1 3.22Å; E360-T365 PolarHBondContact O-N 3.27Å; E360-T365 PolarHBondContact O-OG1 2.85Å; M363-T365 VanDerWaalsContact C-N 3.26Å; M363-T365 HydrophobicContact CB-CG2 4.02Å; M363-T365 PolarHBondContact O-N 3.11Å; T365-Y367 WeakPolarHBondContact O-CD1 3.42Å
366R97.8Very high98.1Very high164 Ų16429.3 Ų29.362%0.61914%0.144SC*.EExtended strand (participates in β ladder)trans-80.2142.3176.4-72.4178.2174.9-79.7-0.2109.8T346 A347 K348T346-R366 PolarHBondContact OG1-NH1 2.92Å; A347-R366 VanDerWaalsContact O-CA 3.29Å; A347-R366 WeakPolarHBondContact O-CA 3.4Å; K348-R366 HydrophobicContact CB-CG 4.35Å
367Y97.8Very high98.1Very high6 Ų627.9 Ų27.92%0.02414%0.138CC..EExtended strand (participates in β ladder)trans-145.5164.5-179.455.5-101000111.5R315 A347 G349 V361 T365 P371R315-Y367 WeakPolarHBondContact CD-OH 3.05Å; R315-Y367 HydrophobicContact CG-CE2 4.43Å; R315-Y367 PolarHBondContact NH1-OH 3.4Å; R315-Y367 VanDerWaalsContact NH1-OH 3.08Å; A347-Y367 HydrophobicContact CB-CD2 4.09Å; A347-Y367 HydrophobicContact CB-CE2 3.68Å; A347-Y367 PolarHBondContact N-O 3.32Å; A347-Y367 PolarHBondContact O-N 2.92Å; G349-Y367 PolarHBondContact O-OH 3.49Å; V361-Y367 HydrophobicContact CG2-CD1 4.01Å; V361-Y367 HydrophobicContact CG2-CE1 3.87Å; T365-Y367 WeakPolarHBondContact O-CD1 3.42Å; Y367-P371 HydrophobicContact CD1-CG 4.43Å; Y367-P371 HydrophobicContact CD2-CG 3.64Å; Y367-P371 HydrophobicContact CE2-CG 4.15Å; Y367-P371 HydrophobicContact CG-CG 3.8Å
368T96.8Very high98.2Very high58 Ų5827.5 Ų27.536%0.35614%0.136SC..SBendtrans-111.7-101.3170.154.60000109.2V313 T346V313-T368 VanDerWaalsContact CG2-O 3.27Å; V313-T368 WeakPolarHBondContact CG2-O 3.21Å; T346-T368 HydrophobicContact CG2-CG2 4.04Å
369F98Very high98.2Very high47 Ų4727.4 Ų27.421%0.20614%0.136CC..SBendtrans-104.7-8.9-176.1-52.3-58.5000113.2H308 N311 V313 I341 P371 D372H308-F369 HydrophobicContact CB-CD1 4.28Å; H308-F369 HydrophobicContact CB-CD2 4.49Å; H308-F369 HydrophobicContact CB-CE1 4.5Å; H308-F369 HydrophobicContact CB-CG 4.29Å; H308-F369 AromaticContact CD2-CD1 3.51Å; H308-F369 AromaticContact CD2-CG 3.86Å; H308-F369 AromaticContact CG-CD1 3.87Å; H308-F369 AromaticContact CG-CG 3.83Å; N311-F369 HydrophobicContact CB-CZ 4.42Å; V313-F369 HydrophobicContact CB-CD1 4.02Å; V313-F369 HydrophobicContact CB-CE1 4.5Å; I341-F369 HydrophobicContact CD1-CE1 4.48Å; F369-P371 VanDerWaalsContact C-N 3.28Å; F369-P371 WeakPolarHBondContact O-CD 3.49Å; F369-P371 VanDerWaalsContact O-N 3.12Å; F369-D372 WeakPolarHBondContact O-CB 3.48Å; F369-D372 PolarHBondContact O-N 3.39Å
370S98.3Very high98.2Very high8 Ų827.4 Ų27.46%0.05614%0.136CC..Hα-helixtrans-51.6-32.8-177.964.40000115.6E360 D372 W373 F374 R436 C439E360-S370 VanDerWaalsContact OE1-CB 3.31Å; E360-S370 WeakPolarHBondContact OE1-CB 3.28Å; E360-S370 PolarHBondContact OE1-OG 3.16Å; S370-D372 VanDerWaalsContact C-N 3.26Å; S370-D372 PolarHBondContact O-N 3.46Å; S370-W373 PolarHBondContact O-N 2.9Å; S370-F374 PolarHBondContact O-N 3.34Å; S370-R436 PolarHBondContact O-NH1 3.41Å; S370-C439 VanDerWaalsContact CA-SG 3.59Å; S370-C439 WeakPolarHBondContact CB-SG 3.25Å
371P98.7Very high98.2Very high10 Ų1027.4 Ų27.47%0.06514%0.136CC..Hα-helixtrans-65.2-29.8178-23.537.1000113.6A358 V361 Y367 F369 F374 G375A358-P371 HydrophobicContact CB-CB 4.2Å; V361-P371 HydrophobicContact CG2-CB 3.75Å; V361-P371 HydrophobicContact CG2-CG 3.54Å; Y367-P371 HydrophobicContact CD1-CG 4.43Å; Y367-P371 HydrophobicContact CD2-CG 3.64Å; Y367-P371 HydrophobicContact CE2-CG 4.15Å; Y367-P371 HydrophobicContact CG-CG 3.8Å; F369-P371 VanDerWaalsContact C-N 3.28Å; F369-P371 WeakPolarHBondContact O-CD 3.49Å; F369-P371 VanDerWaalsContact O-N 3.12Å; P371-F374 PolarHBondContact O-N 3.18Å; P371-G375 PolarHBondContact O-N 3.32Å
372D98.8Very high98.1Very high1 Ų127.6 Ų27.61%0.00514%0.136CC..Hα-helixtrans-71.3-39.2-178-67.3-17.4000111.1L304 H308 V313 Y314 R315 L317 F369 S370 G375 L376L304-D372 HydrophobicContact CD1-CB 4.13Å; L304-D372 HydrophobicContact CD2-CB 3.8Å; H308-D372 IonicContact CD2-OD2 3.36Å; H308-D372 IonicContact CE1-OD2 2.93Å; H308-D372 IonicContact NE2-OD2 2.59Å; H308-D372 PolarHBondContact NE2-OD2 3.29Å; V313-D372 WeakPolarHBondContact CG2-OD2 3.38Å; Y314-D372 WeakPolarHBondContact CB-OD1 3.22Å; Y314-D372 PolarHBondContact N-OD1 3.44Å; Y314-D372 PolarHBondContact N-OD2 3.04Å; R315-D372 PolarHBondContact N-OD1 3.43Å; L317-D372 WeakPolarHBondContact CD2-O 3.29Å; F369-D372 WeakPolarHBondContact O-CB 3.48Å; F369-D372 PolarHBondContact O-N 3.39Å; S370-D372 VanDerWaalsContact C-N 3.26Å; S370-D372 PolarHBondContact O-N 3.46Å; D372-G375 PolarHBondContact O-N 3.14Å; D372-L376 PolarHBondContact O-N 3.19Å
373W98.8Very high98.1Very high2 Ų226.5 Ų26.51%0.00813%0.13CC..Hα-helixtrans-67.1-36.7175.7-61.6125.8000112.7T301 L304 H308 S370 L376 G377 L428 G438 P444 V447T301-W373 HydrophobicContact CG2-CH2 4.2Å; T301-W373 HydrophobicContact CG2-CZ3 4.08Å; L304-W373 HydrophobicContact CB-CH2 4.14Å; L304-W373 HydrophobicContact CB-CZ3 4.28Å; L304-W373 HydrophobicContact CD1-CE3 3.95Å; L304-W373 HydrophobicContact CD1-CH2 4.49Å; L304-W373 HydrophobicContact CD1-CZ3 3.86Å; H308-W373 AromaticContact CE1-CE2 3.75Å; H308-W373 AromaticContact CE1-CZ2 3.8Å; H308-W373 AromaticContact CE1-NE1 3.79Å; H308-W373 AromaticContact ND1-CE2 3.89Å; H308-W373 AromaticContact ND1-CZ2 3.61Å; H308-W373 AromaticContact ND1-NE1 3.94Å; S370-W373 PolarHBondContact O-N 2.9Å; W373-L376 HydrophobicContact CE3-CD2 3.84Å; W373-L376 HydrophobicContact CZ3-CD2 3.92Å; W373-L376 WeakPolarHBondContact O-CB 3.45Å; W373-L376 PolarHBondContact O-N 2.88Å; W373-G377 PolarHBondContact O-N 3.18Å; W373-L428 HydrophobicContact CB-CD2 4.03Å; W373-G438 PolarHBondContact NE1-O 3.22Å; W373-P444 HydrophobicContact CH2-CB 4.06Å; W373-P444 HydrophobicContact CH2-CG 4.29Å; W373-P444 HydrophobicContact CZ2-CB 4.1Å; W373-P444 HydrophobicContact CZ2-CG 3.9Å; W373-V447 HydrophobicContact CD2-CG2 4.22Å; W373-V447 HydrophobicContact CE3-CG2 3.88Å; W373-V447 HydrophobicContact CH2-CG2 4.1Å; W373-V447 HydrophobicContact CZ2-CG2 4.39Å; W373-V447 HydrophobicContact CZ3-CB 4.33Å; W373-V447 HydrophobicContact CZ3-CG1 4.15Å; W373-V447 HydrophobicContact CZ3-CG2 3.83Å
374F98.8Very high98.1Very high0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-63.6-43.2171.4-173.9-90.6000111.6A358 P359 S370 P371 L376 G377 C378 F390 V406 L429A358-F374 VanDerWaalsContact CA-CD1 3.5Å; A358-F374 HydrophobicContact CB-CB 3.64Å; A358-F374 HydrophobicContact CB-CD1 3.83Å; A358-F374 HydrophobicContact CB-CD2 4.31Å; A358-F374 HydrophobicContact CB-CG 3.66Å; P359-F374 HydrophobicContact CG-CE2 4.27Å; S370-F374 PolarHBondContact O-N 3.34Å; P371-F374 PolarHBondContact O-N 3.18Å; F374-L376 VanDerWaalsContact C-N 3.28Å; F374-L376 PolarHBondContact O-N 2.86Å; F374-G377 PolarHBondContact O-N 2.96Å; F374-G377 VanDerWaalsContact O-N 3.14Å; F374-C378 WeakPolarHBondContact CE1-SG 3.43Å; F374-C378 PolarHBondContact O-N 2.87Å; F374-C378 PolarHBondContact O-SG 2.97Å; F374-C378 VanDerWaalsContact O-SG 3.34Å; F374-F390 HydrophobicContact CE1-CE2 4.25Å; F374-F390 AromaticContact CZ-CE2 3.64Å; F374-F390 HydrophobicContact CZ-CE2 3.64Å; F374-F390 HydrophobicContact CZ-CZ 4.22Å; F374-V406 HydrophobicContact CE1-CG1 4.34Å; F374-V406 HydrophobicContact CZ-CG1 4.08Å; F374-L429 HydrophobicContact CD2-CD2 4.06Å; F374-L429 HydrophobicContact CE1-CD2 4.41Å; F374-L429 HydrophobicContact CE2-CD2 3.8Å; F374-L429 HydrophobicContact CG-CD2 4.47Å; F374-L429 HydrophobicContact CZ-CD2 4Å
375G98.6Very high98.1Very high1 Ų119.3 Ų19.31%0.019%0.093CC..Hα-helixtrans-58.4-39.3173.600000112.3P371 D372 C378 I379P371-G375 PolarHBondContact O-N 3.32Å; D372-G375 PolarHBondContact O-N 3.14Å; G375-C378 WeakPolarHBondContact O-CB 3.47Å; G375-C378 PolarHBondContact O-N 2.85Å; G375-I379 WeakPolarHBondContact O-CG1 3.49Å; G375-I379 PolarHBondContact O-N 2.97Å
376L98.8Very high97.9Very high0 Ų016.5 Ų16.50%08%0.076CC..Hα-helixtrans-62.8-45174.9178.363.2000110.5A297 I300 T301 L304 L317 D372 W373 F374 C378 I379 V380 L428 V447A297-L376 HydrophobicContact CB-CD1 4.47Å; I300-L376 HydrophobicContact CB-CD1 4.11Å; I300-L376 HydrophobicContact CG2-CD1 3.81Å; T301-L376 WeakPolarHBondContact OG1-CD2 3.3Å; L304-L376 HydrophobicContact CD1-CB 4.32Å; L317-L376 HydrophobicContact CD2-CB 4.04Å; D372-L376 PolarHBondContact O-N 3.19Å; W373-L376 HydrophobicContact CE3-CD2 3.84Å; W373-L376 HydrophobicContact CZ3-CD2 3.92Å; W373-L376 WeakPolarHBondContact O-CB 3.45Å; W373-L376 PolarHBondContact O-N 2.88Å; F374-L376 VanDerWaalsContact C-N 3.28Å; F374-L376 PolarHBondContact O-N 2.86Å; L376-C378 VanDerWaalsContact C-N 3.29Å; L376-C378 PolarHBondContact O-N 3.08Å; L376-I379 PolarHBondContact O-N 2.78Å; L376-V380 HydrophobicContact CD1-CG2 4.12Å; L376-V380 HydrophobicContact CG-CG2 4.4Å; L376-V380 WeakPolarHBondContact O-CG2 3.43Å; L376-V380 PolarHBondContact O-N 3.12Å; L376-L428 HydrophobicContact CB-CD1 4.41Å; L376-L428 HydrophobicContact CD2-CD1 4.07Å; L376-L428 HydrophobicContact CG-CD1 3.98Å; L376-V447 HydrophobicContact CD2-CG1 4.34Å
377G98.7Very high97.8Very high0 Ų011.3 Ų11.30%06%0.059CC..Hα-helixtrans-56.1-43.3174.300000112.5W373 F374 V380 Y381W373-G377 PolarHBondContact O-N 3.18Å; F374-G377 PolarHBondContact O-N 2.96Å; F374-G377 VanDerWaalsContact O-N 3.14Å; G377-V380 PolarHBondContact O-N 3.42Å; G377-Y381 WeakPolarHBondContact O-CB 3.34Å; G377-Y381 PolarHBondContact O-N 3.29Å
378C98.7Very high97.7Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-62.8-45.8176.5-65.90000112.3Y356 F374 G375 L376 E382 P389Y356-C378 HydrophobicContact CD1-CB 3.71Å; Y356-C378 HydrophobicContact CE1-CB 4.2Å; F374-C378 WeakPolarHBondContact CE1-SG 3.43Å; F374-C378 PolarHBondContact O-N 2.87Å; F374-C378 PolarHBondContact O-SG 2.97Å; F374-C378 VanDerWaalsContact O-SG 3.34Å; G375-C378 WeakPolarHBondContact O-CB 3.47Å; G375-C378 PolarHBondContact O-N 2.85Å; L376-C378 VanDerWaalsContact C-N 3.29Å; L376-C378 PolarHBondContact O-N 3.08Å; C378-E382 WeakPolarHBondContact O-CB 3.14Å; C378-E382 PolarHBondContact O-N 3.49Å; C378-P389 HydrophobicContact CB-CG 4.32Å
379I98.2Very high97.7Very high0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-65.5-43.7178.7-67-173.5000111L275 I300 L317 P319 I322 G375 L376 Y381 E382 M383L275-I379 HydrophobicContact CD2-CG2 3.88Å; I300-I379 HydrophobicContact CD1-CG2 4.23Å; L317-I379 HydrophobicContact CD1-CD1 3.8Å; L317-I379 HydrophobicContact CD2-CD1 4.42Å; L317-I379 HydrophobicContact CG-CD1 3.58Å; L317-I379 HydrophobicContact CG-CG1 4.46Å; P319-I379 HydrophobicContact CG-CG1 4.34Å; I322-I379 HydrophobicContact CG1-CD1 3.86Å; G375-I379 WeakPolarHBondContact O-CG1 3.49Å; G375-I379 PolarHBondContact O-N 2.97Å; L376-I379 PolarHBondContact O-N 2.78Å; I379-Y381 VanDerWaalsContact C-N 3.35Å; I379-Y381 PolarHBondContact O-N 3.26Å; I379-E382 PolarHBondContact O-N 3.11Å; I379-M383 HydrophobicContact CG2-CE 4.03Å; I379-M383 HydrophobicContact CG2-CG 4.13Å; I379-M383 HydrophobicContact CG2-SD 4.28Å; I379-M383 WeakPolarHBondContact O-CB 3.35Å; I379-M383 VanDerWaalsContact O-CG 3.29Å; I379-M383 WeakPolarHBondContact O-CG 3.34Å; I379-M383 PolarHBondContact O-N 3.28Å
380V98.5Very high97.6Very high0 Ų07.9 Ų7.90%04%0.043CC..Hα-helixtrans-62.2-45.2178.9175.60000111A297 L376 G377 E382 M383 I384 F424 C425 W452A297-V380 HydrophobicContact CB-CG2 3.64Å; L376-V380 HydrophobicContact CD1-CG2 4.12Å; L376-V380 HydrophobicContact CG-CG2 4.4Å; L376-V380 WeakPolarHBondContact O-CG2 3.43Å; L376-V380 PolarHBondContact O-N 3.12Å; G377-V380 PolarHBondContact O-N 3.42Å; V380-E382 VanDerWaalsContact C-N 3.32Å; V380-E382 PolarHBondContact O-N 3.17Å; V380-M383 HydrophobicContact CB-CE 4.49Å; V380-M383 HydrophobicContact CG2-CE 4.05Å; V380-M383 PolarHBondContact O-N 3.36Å; V380-I384 HydrophobicContact CG1-CD1 4.03Å; V380-I384 WeakPolarHBondContact O-CG1 3.36Å; V380-I384 PolarHBondContact O-N 2.86Å; V380-I384 VanDerWaalsContact O-N 3.14Å; V380-F424 HydrophobicContact CG1-CD1 4.31Å; V380-F424 HydrophobicContact CG2-CE1 4.18Å; V380-C425 VanDerWaalsContact CG1-SG 3.55Å; V380-W452 HydrophobicContact CG1-CH2 3.51Å; V380-W452 HydrophobicContact CG1-CZ2 4.2Å; V380-W452 HydrophobicContact CG1-CZ3 3.89Å; V380-W452 HydrophobicContact CG2-CH2 4.32Å; V380-W452 HydrophobicContact CG2-CZ3 4.25Å
381Y98.4Very high97.2Very high5 Ų512.7 Ų12.72%0.026%0.06CC..Hα-helixtrans-56.1-49.8174.4-177.6-78.4000110.6G377 I379 M383 I384 M385 Q387 P389 E411 E412 Y413 F417G377-Y381 WeakPolarHBondContact O-CB 3.34Å; G377-Y381 PolarHBondContact O-N 3.29Å; I379-Y381 VanDerWaalsContact C-N 3.35Å; I379-Y381 PolarHBondContact O-N 3.26Å; Y381-M383 PolarHBondContact O-N 3.33Å; Y381-I384 PolarHBondContact O-N 3.17Å; Y381-M385 HydrophobicContact CD1-CB 3.98Å; Y381-M385 HydrophobicContact CE1-CB 3.63Å; Y381-M385 HydrophobicContact CE1-CG 3.7Å; Y381-M385 WeakPolarHBondContact O-CB 3.16Å; Y381-M385 PolarHBondContact O-N 3.42Å; Y381-Q387 VanDerWaalsContact CD1-O 3.27Å; Y381-Q387 WeakPolarHBondContact CD1-O 3.43Å; Y381-Q387 VanDerWaalsContact CE1-O 3.27Å; Y381-Q387 WeakPolarHBondContact CE1-O 3.33Å; Y381-P389 HydrophobicContact CD1-CB 3.78Å; Y381-P389 HydrophobicContact CD1-CG 4.21Å; Y381-P389 HydrophobicContact CD2-CB 4.2Å; Y381-P389 VanDerWaalsContact CE1-CA 3.49Å; Y381-P389 HydrophobicContact CE1-CB 3.98Å; Y381-P389 HydrophobicContact CE2-CB 4.37Å; Y381-P389 HydrophobicContact CG-CB 3.91Å; Y381-P389 HydrophobicContact CG-CG 4.34Å; Y381-E411 HydrophobicContact CD2-CG 4.36Å; Y381-E411 HydrophobicContact CE2-CB 4.19Å; Y381-E411 HydrophobicContact CE2-CG 4.25Å; Y381-E412 WeakPolarHBondContact CE2-O 3.29Å; Y381-E412 VanDerWaalsContact CZ-O 3.27Å; Y381-E412 PolarHBondContact OH-O 2.97Å; Y381-Y413 HydrophobicContact CD2-CD1 4.38Å; Y381-Y413 AromaticContact CD2-CE1 3.9Å; Y381-Y413 HydrophobicContact CD2-CE1 3.9Å; Y381-Y413 HydrophobicContact CE2-CD1 4.18Å; Y381-Y413 HydrophobicContact CE2-CE1 4.06Å; Y381-F417 HydrophobicContact CD2-CE1 4.4Å; Y381-F417 AromaticContact CD2-CZ 3.89Å; Y381-F417 HydrophobicContact CD2-CZ 3.89Å; Y381-F417 HydrophobicContact CE2-CZ 4.15Å; Y381-F417 HydrophobicContact CG-CZ 4.24Å
382E97.3Very high96.6Very high8 Ų819.5 Ų19.54%0.0379%0.085CC..Hα-helixtrans-67.7-37-176.6-174.2167.9-175.200113.1I279 H280 P319 Y356 C378 I379 V380 I384 G386 Q387I279-E382 HydrophobicContact CD1-CG 4.22Å; I279-E382 HydrophobicContact CG2-CG 4.34Å; H280-E382 IonicContact CD2-OE1 3.76Å; H280-E382 IonicContact CE1-OE1 2.73Å; H280-E382 PolarHBondContact CE1-OE1 3.43Å; H280-E382 IonicContact NE2-OE1 2.8Å; H280-E382 PolarHBondContact NE2-OE1 2.84Å; P319-E382 WeakPolarHBondContact CG-OE2 3.32Å; Y356-E382 WeakPolarHBondContact CE1-OE2 3.18Å; Y356-E382 PolarHBondContact OH-OE2 2.88Å; C378-E382 WeakPolarHBondContact O-CB 3.14Å; C378-E382 PolarHBondContact O-N 3.49Å; I379-E382 PolarHBondContact O-N 3.11Å; V380-E382 VanDerWaalsContact C-N 3.32Å; V380-E382 PolarHBondContact O-N 3.17Å; E382-I384 VanDerWaalsContact C-N 3.34Å; E382-I384 PolarHBondContact O-N 3.42Å; E382-G386 VanDerWaalsContact O-CA 3.29Å; E382-G386 WeakPolarHBondContact O-CA 3.43Å; E382-G386 PolarHBondContact O-N 2.88Å; E382-Q387 WeakPolarHBondContact CA-O 3.23Å
383M97.9Very high95.7Very high0 Ų024.9 Ų24.90%011%0.105CC..Hα-helixtrans-58.8-44.6173.3-78-166.5-64.100111.4L275 I279 G287 F288 A293 Y296 A297 I379 V380 Y381L275-M383 HydrophobicContact CD2-CG 4.01Å; L275-M383 HydrophobicContact CD2-SD 3.76Å; I279-M383 HydrophobicContact CD1-CG 3.88Å; I279-M383 HydrophobicContact CG1-CG 4.4Å; G287-M383 CarbonylContact C-O 3.56Å; G287-M383 WeakPolarHBondContact CA-O 3.26Å; F288-M383 HydrophobicContact CD2-CB 3.8Å; F288-M383 HydrophobicContact CD2-CG 3.72Å; F288-M383 HydrophobicContact CD2-SD 3.87Å; F288-M383 HydrophobicContact CE2-CB 4.26Å; F288-M383 HydrophobicContact CE2-CG 3.7Å; F288-M383 HydrophobicContact CE2-SD 3.88Å; F288-M383 PolarHBondContact N-O 3.35Å; A293-M383 HydrophobicContact CB-CB 3.85Å; A293-M383 HydrophobicContact CB-CE 4.12Å; A293-M383 HydrophobicContact CB-SD 4.3Å; A293-M383 WeakPolarHBondContact O-CE 3.5Å; Y296-M383 HydrophobicContact CD2-SD 4.1Å; A297-M383 HydrophobicContact CB-CE 4.2Å; I379-M383 HydrophobicContact CG2-CE 4.03Å; I379-M383 HydrophobicContact CG2-CG 4.13Å; I379-M383 HydrophobicContact CG2-SD 4.28Å; I379-M383 WeakPolarHBondContact O-CB 3.35Å; I379-M383 VanDerWaalsContact O-CG 3.29Å; I379-M383 WeakPolarHBondContact O-CG 3.34Å; I379-M383 PolarHBondContact O-N 3.28Å; V380-M383 HydrophobicContact CB-CE 4.49Å; V380-M383 HydrophobicContact CG2-CE 4.05Å; V380-M383 PolarHBondContact O-N 3.36Å; Y381-M383 PolarHBondContact O-N 3.33Å
384I97.4Very high94.8Very high2 Ų233.7 Ų33.71%0.0114%0.143CC..Hα-helixtrans-81.5-46.9-176.6-62171000111.1E290 A293 V380 Y381 E382 K416 F417 W452E290-I384 HydrophobicContact CG-CD1 4.42Å; A293-I384 HydrophobicContact CB-CD1 4.45Å; A293-I384 HydrophobicContact CB-CG1 3.76Å; V380-I384 HydrophobicContact CG1-CD1 4.03Å; V380-I384 WeakPolarHBondContact O-CG1 3.36Å; V380-I384 PolarHBondContact O-N 2.86Å; V380-I384 VanDerWaalsContact O-N 3.14Å; Y381-I384 PolarHBondContact O-N 3.17Å; E382-I384 VanDerWaalsContact C-N 3.34Å; E382-I384 PolarHBondContact O-N 3.42Å; I384-K416 HydrophobicContact CG2-CB 3.88Å; I384-K416 VanDerWaalsContact O-CD 3.26Å; I384-K416 WeakPolarHBondContact O-CD 3.33Å; I384-F417 HydrophobicContact CB-CD1 4.32Å; I384-F417 HydrophobicContact CB-CE1 3.79Å; I384-F417 HydrophobicContact CB-CE2 4.25Å; I384-F417 HydrophobicContact CB-CZ 3.75Å; I384-F417 HydrophobicContact CD1-CD1 3.95Å; I384-F417 HydrophobicContact CD1-CE1 3.81Å; I384-F417 HydrophobicContact CG1-CE1 4.38Å; I384-F417 HydrophobicContact CG2-CD1 3.9Å; I384-F417 HydrophobicContact CG2-CD2 3.88Å; I384-F417 HydrophobicContact CG2-CE1 3.82Å; I384-F417 HydrophobicContact CG2-CE2 3.79Å; I384-F417 HydrophobicContact CG2-CG 3.94Å; I384-F417 HydrophobicContact CG2-CZ 3.76Å; I384-W452 HydrophobicContact CD1-CZ2 4.09Å
385M95.9Very high94.4Very high31 Ų3135.6 Ų35.615%0.15315%0.152CC..Hα-helixtrans-72.7-37.6-174.5-169.563.7175.800112.1Y381 Q387 N414 K416 F417Y381-M385 HydrophobicContact CD1-CB 3.98Å; Y381-M385 HydrophobicContact CE1-CB 3.63Å; Y381-M385 HydrophobicContact CE1-CG 3.7Å; Y381-M385 WeakPolarHBondContact O-CB 3.16Å; Y381-M385 PolarHBondContact O-N 3.42Å; M385-Q387 HydrophobicContact CB-CG 4.47Å; M385-Q387 HydrophobicContact CG-CG 3.69Å; M385-N414 HydrophobicContact CE-CB 4.4Å; M385-N414 WeakPolarHBondContact CE-ND2 3.18Å; M385-N414 HydrophobicContact SD-CB 4.38Å; M385-N414 PolarHBondContact SD-ND2 3.27Å; M385-K416 PolarHBondContact O-NZ 2.85Å; M385-K416 VanDerWaalsContact O-NZ 3.08Å; M385-F417 HydrophobicContact CB-CE2 3.97Å; M385-F417 HydrophobicContact CB-CZ 4.07Å; M385-F417 HydrophobicContact SD-CE2 4.02Å
386G94.7Very high93.9Very high3 Ų345.2 Ų45.23%0.03119%0.188CC..SBendtrans90.75.5-169.600000114.3H280 E382H280-G386 PolarHBondContact CE1-O 2.87Å; H280-G386 VanDerWaalsContact CE1-O 3.23Å; E382-G386 VanDerWaalsContact O-CA 3.29Å; E382-G386 WeakPolarHBondContact O-CA 3.43Å; E382-G386 PolarHBondContact O-N 2.88Å
387Q94.2Very high93.5Very high55 Ų5547.3 Ų47.326%0.25720%0.199SC..SBendtrans-151.2154.5176.262.2178.25.200110.8Y381 E382 M385Y381-Q387 VanDerWaalsContact CD1-O 3.27Å; Y381-Q387 WeakPolarHBondContact CD1-O 3.43Å; Y381-Q387 VanDerWaalsContact CE1-O 3.27Å; Y381-Q387 WeakPolarHBondContact CE1-O 3.33Å; E382-Q387 WeakPolarHBondContact CA-O 3.23Å; M385-Q387 HydrophobicContact CB-CG 4.47Å; M385-Q387 HydrophobicContact CG-CG 3.69Å
388A95.5Very high93.3Very high12 Ų1257 Ų5710%0.09924%0.236CC..BIsolated β-bridgetrans-66.1150.6177.900000112.1F390A388-F390 PolarHBondContact O-N 3.24Å
389P96.9Very high92.9Very high19 Ų1962.3 Ų62.312%0.12326%0.255CS..THydrogen-bonded Turntrans-64.6-35.3-174.222.3-32.3000113.9C378 Y381 E411C378-P389 HydrophobicContact CB-CG 4.32Å; Y381-P389 HydrophobicContact CD1-CB 3.78Å; Y381-P389 HydrophobicContact CD1-CG 4.21Å; Y381-P389 HydrophobicContact CD2-CB 4.2Å; Y381-P389 VanDerWaalsContact CE1-CA 3.49Å; Y381-P389 HydrophobicContact CE1-CB 3.98Å; Y381-P389 HydrophobicContact CE2-CB 4.37Å; Y381-P389 HydrophobicContact CG-CB 3.91Å; Y381-P389 HydrophobicContact CG-CG 4.34Å; P389-E411 HydrophobicContact CB-CB 4.08Å
390F96.2Very high92.8Very high8 Ų868.3 Ų68.34%0.03528%0.284CS..THydrogen-bonded Turntrans-111.24.3-173.5-50.8-65.7000113.7F374 A388 R405 V406 E411 L429 K431F374-F390 HydrophobicContact CE1-CE2 4.25Å; F374-F390 AromaticContact CZ-CE2 3.64Å; F374-F390 HydrophobicContact CZ-CE2 3.64Å; F374-F390 HydrophobicContact CZ-CZ 4.22Å; A388-F390 PolarHBondContact O-N 3.24Å; F390-R405 HydrophobicContact CB-CB 4.14Å; F390-R405 HydrophobicContact CD1-CB 4.41Å; F390-R405 WeakPolarHBondContact O-CD 3.43Å; F390-V406 HydrophobicContact CB-CG2 3.94Å; F390-V406 HydrophobicContact CD2-CB 4.42Å; F390-V406 HydrophobicContact CD2-CG2 3.62Å; F390-V406 HydrophobicContact CE2-CG2 4.4Å; F390-V406 HydrophobicContact CG-CG2 3.83Å; F390-E411 HydrophobicContact CE1-CB 4.38Å; F390-L429 HydrophobicContact CE2-CD2 4.41Å; F390-K431 VanDerWaalsContact CE1-NZ 3.34Å; F390-K431 VanDerWaalsContact CZ-NZ 3.28Å
391R91.4Very high92.7Very high109 Ų10971.1 Ų71.141%0.41130%0.297SS..BIsolated β-bridgetrans-146.1116.8-178.6-171.9176.7-175.6166.83.9111.3
392R84.7Confident92.6Very high153 Ų15371 Ų7158%0.57730%0.296SS*.  trans-73.6154179.5-62.3178.2177.8-174.6-1.1111.2K394 E395R392-K394 PolarHBondContact O-N 3.2Å; R392-E395 HydrophobicContact CB-CB 3.97Å; R392-E395 WeakPolarHBondContact CB-OE2 3.16Å; R392-E395 PolarHBondContact N-OE2 2.93Å; R392-E395 VanDerWaalsContact O-CB 3.22Å; R392-E395 WeakPolarHBondContact O-CB 3.5Å; R392-E395 PolarHBondContact O-N 2.6Å; R392-E395 VanDerWaalsContact O-N 3.14Å
393R79.8Confident92.6Very high115 Ų11571.3 Ų71.343%0.43430%0.298SS..THydrogen-bonded Turntrans-61.3132.3178.4-171.4173.7173.6139.1-7.3110.4H280 E395H280-R393 VanDerWaalsContact CB-NH1 3.33Å; H280-R393 PolarHBondContact ND1-NH1 3.44Å; H280-R393 PolarHBondContact O-NH1 3.35Å; H280-R393 VanDerWaalsContact O-NH1 3.1Å; H280-R393 PolarHBondContact O-NH2 3.22Å; R393-E395 PolarHBondContact O-N 2.9Å; R393-E395 VanDerWaalsContact O-N 3.17Å
394K81.3Confident92.6Very high187 Ų18775 Ų7581%0.81331%0.312SS*.THydrogen-bonded Turntrans61.710.2-177-60.7173-179.4-179.10115R392 R396R392-K394 PolarHBondContact O-N 3.2Å; K394-R396 PolarHBondContact O-N 3.13Å
395E89Confident92.6Very high40 Ų4076.9 Ų76.919%0.18732%0.319CS..  trans-72.3125.3176.3-170.1-177.5-164.700111R392 R393 I397 R405R392-E395 HydrophobicContact CB-CB 3.97Å; R392-E395 WeakPolarHBondContact CB-OE2 3.16Å; R392-E395 PolarHBondContact N-OE2 2.93Å; R392-E395 VanDerWaalsContact O-CB 3.22Å; R392-E395 WeakPolarHBondContact O-CB 3.5Å; R392-E395 PolarHBondContact O-N 2.6Å; R392-E395 VanDerWaalsContact O-N 3.14Å; R393-E395 PolarHBondContact O-N 2.9Å; R393-E395 VanDerWaalsContact O-N 3.17Å; E395-I397 HydrophobicContact CG-CD1 4.43Å; E395-I397 HydrophobicContact CG-CG1 4.14Å; E395-I397 HydrophobicContact CG-CG2 3.8Å; E395-R405 VanDerWaalsContact CD-NH1 3.33Å; E395-R405 IonicContact OE1-CZ 2.95Å; E395-R405 IonicContact OE1-NH1 3.65Å; E395-R405 PolarHBondContact OE1-NH1 3.1Å; E395-R405 IonicContact OE1-NH2 2.98Å; E395-R405 PolarHBondContact OE1-NH2 3.42Å; E395-R405 IonicContact OE2-NH1 3.98Å; E395-R405 PolarHBondContact OE2-NH1 3.27Å
396R87.5Confident92.7Very high203 Ų20375.4 Ų75.477%0.76631%0.312SS*.  trans-102.484.6175.6-69.2-173.2175.8-178.10.8109.6K394K394-R396 PolarHBondContact O-N 3.13Å
397I91.6Very high92.8Very high44 Ų4476.8 Ų76.823%0.22632%0.321CS..  trans-113.1155.7173.849.7171.5000110.8E395 E401 V402E395-I397 HydrophobicContact CG-CD1 4.43Å; E395-I397 HydrophobicContact CG-CG1 4.14Å; E395-I397 HydrophobicContact CG-CG2 3.8Å; I397-E401 HydrophobicContact CB-CG 4.4Å; I397-E401 HydrophobicContact CD1-CG 4.2Å; I397-V402 HydrophobicContact CD1-CG2 3.41Å; I397-V402 VanDerWaalsContact CD1-CG2 3.41Å; I397-V402 HydrophobicContact CG1-CG2 3.73Å
398R93.5Very high93Very high203 Ų20380.2 Ų80.277%0.76634%0.337SS*.  trans-66.4154.8175-63.8-170.2178.6124.10.2110.3E400 E401 V402R398-E400 WeakPolarHBondContact CB-OE2 3.26Å; R398-E400 PolarHBondContact O-N 3.46Å; R398-E401 PolarHBondContact O-N 2.85Å; R398-V402 PolarHBondContact O-N 2.77Å
399R91.9Very high93.1Very high111 Ų11182.3 Ų82.342%0.41935%0.346SS..Hα-helixtrans-59.9-39.6-178.8-178.2-178.9175.8169.11.9111.3A354 E401 V402 D403A354-R399 HydrophobicContact CB-CG 4.26Å; R399-E401 VanDerWaalsContact C-N 3.27Å; R399-E401 PolarHBondContact O-N 3.24Å; R399-V402 WeakPolarHBondContact O-CB 3.36Å; R399-V402 PolarHBondContact O-N 2.94Å; R399-V402 VanDerWaalsContact O-N 3.11Å; R399-D403 VanDerWaalsContact O-CG 3.23Å; R399-D403 PolarHBondContact O-N 3.2Å
400E94.9Very high93.1Very high126 Ų12686.6 Ų86.659%0.58937%0.373SS*.Hα-helixtrans-63.6-33.7-177.8-59.470.6-149.800111.7R398 D403 R404R398-E400 WeakPolarHBondContact CB-OE2 3.26Å; R398-E400 PolarHBondContact O-N 3.46Å; E400-D403 PolarHBondContact O-N 3.47Å; E400-R404 WeakPolarHBondContact O-CB 3.45Å; E400-R404 PolarHBondContact O-N 3.22Å
401E97Very high93.1Very high60 Ų6087.2 Ų87.228%0.2838%0.375SS..Hα-helixtrans-71.1-40.7174.3174.355.3-16300111.1I397 R398 R399 D403 R404 R405I397-E401 HydrophobicContact CB-CG 4.4Å; I397-E401 HydrophobicContact CD1-CG 4.2Å; R398-E401 PolarHBondContact O-N 2.85Å; R399-E401 VanDerWaalsContact C-N 3.27Å; R399-E401 PolarHBondContact O-N 3.24Å; E401-D403 VanDerWaalsContact C-N 3.3Å; E401-D403 PolarHBondContact O-N 3.36Å; E401-R404 PolarHBondContact O-N 3.22Å; E401-R404 IonicContact OE1-CZ 3.67Å; E401-R404 IonicContact OE1-NE 3.17Å; E401-R404 IonicContact OE1-NH2 2.82Å; E401-R404 PolarHBondContact OE1-NH2 2.66Å; E401-R404 IonicContact OE2-NE 3.88Å; E401-R404 PolarHBondContact OE2-NE 2.97Å; E401-R404 VanDerWaalsContact OE2-NE 3.08Å; E401-R405 VanDerWaalsContact O-CG 3.26Å; E401-R405 WeakPolarHBondContact O-CG 3.42Å; E401-R405 PolarHBondContact O-N 2.76Å; E401-R405 WeakPolarHBondContact OE1-CG 3.34Å; E401-R405 IonicContact OE1-CZ 3.61Å; E401-R405 IonicContact OE1-NE 3.63Å; E401-R405 PolarHBondContact OE1-NE 3.04Å; E401-R405 IonicContact OE1-NH2 3.04Å
402V96.3Very high93.4Very high2 Ų288.7 Ų88.71%0.01239%0.387CS..Hα-helixtrans-60.4-44.4173.1-178.10000110.5I397 R398 R399 R405 V406I397-V402 HydrophobicContact CD1-CG2 3.41Å; I397-V402 VanDerWaalsContact CD1-CG2 3.41Å; I397-V402 HydrophobicContact CG1-CG2 3.73Å; R398-V402 PolarHBondContact O-N 2.77Å; R399-V402 WeakPolarHBondContact O-CB 3.36Å; R399-V402 PolarHBondContact O-N 2.94Å; R399-V402 VanDerWaalsContact O-N 3.11Å; V402-R405 PolarHBondContact O-N 3.38Å; V402-V406 VanDerWaalsContact O-CG2 3.32Å; V402-V406 WeakPolarHBondContact O-CG2 3.49Å; V402-V406 PolarHBondContact O-N 3.42Å
403D97.1Very high94Very high14 Ų1483.5 Ų83.58%0.07537%0.368CS..Hα-helixtrans-60.9-44177.8-67.4-40.4000111.4R350 V362 R399 E400 E401 V406 C407R350-D403 IonicContact CZ-OD2 3.08Å; R350-D403 IonicContact NH2-OD1 3.22Å; R350-D403 PolarHBondContact NH2-OD1 2.87Å; R350-D403 IonicContact NH2-OD2 2.89Å; R350-D403 PolarHBondContact NH2-OD2 3.25Å; V362-D403 HydrophobicContact CG1-CB 3.72Å; R399-D403 VanDerWaalsContact O-CG 3.23Å; R399-D403 PolarHBondContact O-N 3.2Å; E400-D403 PolarHBondContact O-N 3.47Å; E401-D403 VanDerWaalsContact C-N 3.3Å; E401-D403 PolarHBondContact O-N 3.36Å; D403-V406 PolarHBondContact O-N 3.07Å; D403-C407 PolarHBondContact O-N 3.13Å; D403-C407 VanDerWaalsContact O-N 3.16Å; D403-C407 PolarHBondContact O-SG 2.8Å; D403-C407 VanDerWaalsContact O-SG 3.39Å
404R97.7Very high94.7Very high78 Ų7880.4 Ų80.429%0.29436%0.36SS..Hα-helixtrans-58.5-50.5175.3-169.4-157.665.9705.9111.1E400 E401 V406 C407 E408 D409E400-R404 WeakPolarHBondContact O-CB 3.45Å; E400-R404 PolarHBondContact O-N 3.22Å; E401-R404 PolarHBondContact O-N 3.22Å; E401-R404 IonicContact OE1-CZ 3.67Å; E401-R404 IonicContact OE1-NE 3.17Å; E401-R404 IonicContact OE1-NH2 2.82Å; E401-R404 PolarHBondContact OE1-NH2 2.66Å; E401-R404 IonicContact OE2-NE 3.88Å; E401-R404 PolarHBondContact OE2-NE 2.97Å; E401-R404 VanDerWaalsContact OE2-NE 3.08Å; R404-V406 VanDerWaalsContact C-N 3.32Å; R404-V406 PolarHBondContact O-N 2.94Å; R404-C407 PolarHBondContact O-N 3.38Å; R404-C407 VanDerWaalsContact O-N 3.1Å; R404-E408 WeakPolarHBondContact CD-OE2 3.36Å; R404-E408 HydrophobicContact CG-CG 4.28Å; R404-E408 WeakPolarHBondContact CG-OE1 3.36Å; R404-E408 WeakPolarHBondContact CG-OE2 3.29Å; R404-E408 IonicContact CZ-OE2 3.8Å; R404-E408 IonicContact NH1-OE2 2.83Å; R404-E408 PolarHBondContact NH1-OE2 2.66Å; R404-E408 WeakPolarHBondContact O-CB 3.49Å; R404-E408 PolarHBondContact O-N 2.84Å; R404-D409 IonicContact CZ-OD1 2.77Å; R404-D409 IonicContact CZ-OD2 3.14Å; R404-D409 IonicContact NH1-OD1 3.53Å; R404-D409 PolarHBondContact NH1-OD1 2.98Å; R404-D409 IonicContact NH2-OD1 3.39Å; R404-D409 PolarHBondContact NH2-OD1 2.94Å; R404-D409 VanDerWaalsContact NH2-OD1 3.14Å; R404-D409 IonicContact NH2-OD2 3.99Å; R404-D409 PolarHBondContact NH2-OD2 3.39Å
405R97.6Very high95.4Very high41 Ų4181.5 Ų81.516%0.15536%0.36CS..Hα-helixtrans-58.6-42.2178.7-66.2179.3-174.7-176.72.7112.4F390 E395 E401 V402 C407 D409F390-R405 HydrophobicContact CB-CB 4.14Å; F390-R405 HydrophobicContact CD1-CB 4.41Å; F390-R405 WeakPolarHBondContact O-CD 3.43Å; E395-R405 VanDerWaalsContact CD-NH1 3.33Å; E395-R405 IonicContact OE1-CZ 2.95Å; E395-R405 IonicContact OE1-NH1 3.65Å; E395-R405 PolarHBondContact OE1-NH1 3.1Å; E395-R405 IonicContact OE1-NH2 2.98Å; E395-R405 PolarHBondContact OE1-NH2 3.42Å; E395-R405 IonicContact OE2-NH1 3.98Å; E395-R405 PolarHBondContact OE2-NH1 3.27Å; E401-R405 VanDerWaalsContact O-CG 3.26Å; E401-R405 WeakPolarHBondContact O-CG 3.42Å; E401-R405 PolarHBondContact O-N 2.76Å; E401-R405 WeakPolarHBondContact OE1-CG 3.34Å; E401-R405 IonicContact OE1-CZ 3.61Å; E401-R405 IonicContact OE1-NE 3.63Å; E401-R405 PolarHBondContact OE1-NE 3.04Å; E401-R405 IonicContact OE1-NH2 3.04Å; V402-R405 PolarHBondContact O-N 3.38Å; R405-C407 VanDerWaalsContact C-N 3.28Å; R405-C407 PolarHBondContact O-N 3.38Å; R405-D409 HydrophobicContact CB-CB 4.31Å; R405-D409 WeakPolarHBondContact CG-OD2 3.42Å; R405-D409 WeakPolarHBondContact O-CB 3.12Å; R405-D409 PolarHBondContact O-N 3.03Å
406V97.7Very high95.7Very high0 Ų082.4 Ų82.40%036%0.364CS..Hα-helixtrans-58-43.7176.21640000111M357 P359 V362 F374 F390 V402 D403 R404 K431M357-V406 VanDerWaalsContact O-CG1 3.26Å; M357-V406 WeakPolarHBondContact O-CG1 3.42Å; P359-V406 HydrophobicContact CG-CG1 4.11Å; V362-V406 HydrophobicContact CG2-CG1 4.25Å; F374-V406 HydrophobicContact CE1-CG1 4.34Å; F374-V406 HydrophobicContact CZ-CG1 4.08Å; F390-V406 HydrophobicContact CB-CG2 3.94Å; F390-V406 HydrophobicContact CD2-CB 4.42Å; F390-V406 HydrophobicContact CD2-CG2 3.62Å; F390-V406 HydrophobicContact CE2-CG2 4.4Å; F390-V406 HydrophobicContact CG-CG2 3.83Å; V402-V406 VanDerWaalsContact O-CG2 3.32Å; V402-V406 WeakPolarHBondContact O-CG2 3.49Å; V402-V406 PolarHBondContact O-N 3.42Å; D403-V406 PolarHBondContact O-N 3.07Å; R404-V406 VanDerWaalsContact C-N 3.32Å; R404-V406 PolarHBondContact O-N 2.94Å; V406-K431 WeakPolarHBondContact O-CD 3.46Å; V406-K431 VanDerWaalsContact O-CE 3.32Å; V406-K431 WeakPolarHBondContact O-CE 3.33Å; V406-K431 PolarHBondContact O-NZ 3.46Å
407C97.6Very high96.2Very high32 Ų3273.7 Ų73.722%0.21633%0.331CS..Hα-helixtrans-79.3-36-176.6-67.30000114D403 R404 R405D403-C407 PolarHBondContact O-N 3.13Å; D403-C407 VanDerWaalsContact O-N 3.16Å; D403-C407 PolarHBondContact O-SG 2.8Å; D403-C407 VanDerWaalsContact O-SG 3.39Å; R404-C407 PolarHBondContact O-N 3.38Å; R404-C407 VanDerWaalsContact O-N 3.1Å; R405-C407 VanDerWaalsContact C-N 3.28Å; R405-C407 PolarHBondContact O-N 3.38Å
408E97.6Very high96.5Very high127 Ų12773.5 Ų73.559%0.59333%0.334SS*.Hα-helixtrans-113.3-35.8-166.1-63.5174.1-169.400113.7R404R404-E408 WeakPolarHBondContact CD-OE2 3.36Å; R404-E408 HydrophobicContact CG-CG 4.28Å; R404-E408 WeakPolarHBondContact CG-OE1 3.36Å; R404-E408 WeakPolarHBondContact CG-OE2 3.29Å; R404-E408 IonicContact CZ-OE2 3.8Å; R404-E408 IonicContact NH1-OE2 2.83Å; R404-E408 PolarHBondContact NH1-OE2 2.66Å; R404-E408 WeakPolarHBondContact O-CB 3.49Å; R404-E408 PolarHBondContact O-N 2.84Å
409D97.5Very high96.7Very high56 Ų5669.7 Ų69.730%0.29933%0.329SS..PPolyproline II helixtrans-86.5138.9-171.4-65.27.9000110.8R404 R405 K431R404-D409 IonicContact CZ-OD1 2.77Å; R404-D409 IonicContact CZ-OD2 3.14Å; R404-D409 IonicContact NH1-OD1 3.53Å; R404-D409 PolarHBondContact NH1-OD1 2.98Å; R404-D409 IonicContact NH2-OD1 3.39Å; R404-D409 PolarHBondContact NH2-OD1 2.94Å; R404-D409 VanDerWaalsContact NH2-OD1 3.14Å; R404-D409 IonicContact NH2-OD2 3.99Å; R404-D409 PolarHBondContact NH2-OD2 3.39Å; R405-D409 HydrophobicContact CB-CB 4.31Å; R405-D409 WeakPolarHBondContact CG-OD2 3.42Å; R405-D409 WeakPolarHBondContact O-CB 3.12Å; R405-D409 PolarHBondContact O-N 3.03Å; D409-K431 WeakPolarHBondContact O-CE 3.23Å; D409-K431 PolarHBondContact O-NZ 2.82Å
410T96.8Very high97Very high110 Ų11067.5 Ų67.568%0.67533%0.326SS*.PPolyproline II helixtrans-83.3136.3169.1-55.40000109.5
411E96.8Very high97.2Very high20 Ų2061.5 Ų61.59%0.09330%0.298CS..PPolyproline II helixtrans-70.1147.5178.871.4-68.4162.100113.2Y381 P389 F390 Y413 Q426 L429Y381-E411 HydrophobicContact CD2-CG 4.36Å; Y381-E411 HydrophobicContact CE2-CB 4.19Å; Y381-E411 HydrophobicContact CE2-CG 4.25Å; P389-E411 HydrophobicContact CB-CB 4.08Å; F390-E411 HydrophobicContact CE1-CB 4.38Å; E411-Y413 VanDerWaalsContact CD-OH 3.26Å; E411-Y413 HydrophobicContact CG-CD2 4.43Å; E411-Y413 HydrophobicContact CG-CE1 4.37Å; E411-Y413 HydrophobicContact CG-CE2 3.46Å; E411-Y413 VanDerWaalsContact CG-CE2 3.46Å; E411-Y413 VanDerWaalsContact CG-CZ 3.4Å; E411-Y413 WeakPolarHBondContact CG-OH 3.29Å; E411-Y413 VanDerWaalsContact OE1-CE2 3.32Å; E411-Y413 WeakPolarHBondContact OE1-CE2 3.17Å; E411-Y413 PolarHBondContact OE1-OH 2.87Å; E411-Q426 WeakPolarHBondContact OE1-CG 3.48Å; E411-L429 HydrophobicContact CB-CD1 4.46Å; E411-L429 HydrophobicContact CG-CD1 3.8Å
412E96.4Very high97.3Very high140 Ų14062.5 Ų62.565%0.65430%0.301SS*.PPolyproline II helixtrans-100.1141.9-178.4-64.8178.4172.900111.5Y381Y381-E412 WeakPolarHBondContact CE2-O 3.29Å; Y381-E412 VanDerWaalsContact CZ-O 3.27Å; Y381-E412 PolarHBondContact OH-O 2.97Å
413Y97.3Very high97.4Very high44 Ų4467.9 Ų67.917%0.17332%0.324CS..  trans-121.9142.8-179.1-61.2-91000111.3Y381 E411 F417 K422 C425 Q426Y381-Y413 HydrophobicContact CD2-CD1 4.38Å; Y381-Y413 AromaticContact CD2-CE1 3.9Å; Y381-Y413 HydrophobicContact CD2-CE1 3.9Å; Y381-Y413 HydrophobicContact CE2-CD1 4.18Å; Y381-Y413 HydrophobicContact CE2-CE1 4.06Å; E411-Y413 VanDerWaalsContact CD-OH 3.26Å; E411-Y413 HydrophobicContact CG-CD2 4.43Å; E411-Y413 HydrophobicContact CG-CE1 4.37Å; E411-Y413 HydrophobicContact CG-CE2 3.46Å; E411-Y413 VanDerWaalsContact CG-CE2 3.46Å; E411-Y413 VanDerWaalsContact CG-CZ 3.4Å; E411-Y413 WeakPolarHBondContact CG-OH 3.29Å; E411-Y413 VanDerWaalsContact OE1-CE2 3.32Å; E411-Y413 WeakPolarHBondContact OE1-CE2 3.17Å; E411-Y413 PolarHBondContact OE1-OH 2.87Å; Y413-F417 HydrophobicContact CD1-CB 4.42Å; Y413-F417 AromaticContact CD1-CD1 3.72Å; Y413-F417 HydrophobicContact CD1-CD1 3.72Å; Y413-F417 AromaticContact CD1-CD2 3.94Å; Y413-F417 HydrophobicContact CD1-CD2 3.94Å; Y413-F417 AromaticContact CD1-CE1 3.84Å; Y413-F417 HydrophobicContact CD1-CE1 3.84Å; Y413-F417 HydrophobicContact CD1-CE2 4.05Å; Y413-F417 AromaticContact CD1-CG 3.77Å; Y413-F417 HydrophobicContact CD1-CG 3.77Å; Y413-F417 HydrophobicContact CD1-CZ 4Å; Y413-F417 HydrophobicContact CE1-CD1 4.1Å; Y413-F417 AromaticContact CE1-CE1 3.97Å; Y413-F417 HydrophobicContact CE1-CE1 3.97Å; Y413-F417 HydrophobicContact CE1-CZ 4.35Å; Y413-K422 HydrophobicContact CD1-CB 4.27Å; Y413-K422 HydrophobicContact CD1-CG 3.92Å; Y413-K422 HydrophobicContact CD2-CD 4.13Å; Y413-K422 HydrophobicContact CD2-CG 3.93Å; Y413-K422 HydrophobicContact CE1-CG 4.12Å; Y413-K422 HydrophobicContact CE2-CG 4.12Å; Y413-K422 HydrophobicContact CG-CD 4.03Å; Y413-K422 HydrophobicContact CG-CG 3.82Å; Y413-C425 HydrophobicContact CE1-CB 3.71Å; Y413-C425 VanDerWaalsContact OH-CB 3.28Å; Y413-C425 WeakPolarHBondContact OH-CB 3.23Å; Y413-Q426 HydrophobicContact CE2-CG 3.64Å; Y413-Q426 VanDerWaalsContact OH-CG 3.29Å; Y413-Q426 WeakPolarHBondContact OH-CG 3.41Å; Y413-Q426 PolarHBondContact OH-N 3.17Å
414N95.4Very high97.4Very high51 Ų5167.2 Ų67.227%0.27332%0.32SS..  trans-114.8-174.2174.873.510.6000112M385 K416 F417M385-N414 HydrophobicContact CE-CB 4.4Å; M385-N414 WeakPolarHBondContact CE-ND2 3.18Å; M385-N414 HydrophobicContact SD-CB 4.38Å; M385-N414 PolarHBondContact SD-ND2 3.27Å; N414-K416 PolarHBondContact O-N 3.35Å; N414-K416 VanDerWaalsContact OD1-CB 3.29Å; N414-K416 WeakPolarHBondContact OD1-CB 3.42Å; N414-K416 WeakPolarHBondContact OD1-CG 3.18Å; N414-K416 PolarHBondContact OD1-N 3.07Å; N414-F417 PolarHBondContact O-N 2.99Å
415Y95.7Very high97.5Very high209 Ų20963.5 Ų63.582%0.8231%0.306SS*.THydrogen-bonded Turntrans-59.7-12.1-177.470.1-92.3000115.5F417Y415-F417 PolarHBondContact O-N 3.09Å
416K96Very high97.5Very high60 Ų6064.5 Ų64.526%0.26131%0.313SS..THydrogen-bonded Turntrans-73.9-18.2177.9-62.6-176.2-176.6174.50113S286 I384 M385 N414S286-K416 PolarHBondContact O-NZ 3.22Å; I384-K416 HydrophobicContact CG2-CB 3.88Å; I384-K416 VanDerWaalsContact O-CD 3.26Å; I384-K416 WeakPolarHBondContact O-CD 3.33Å; M385-K416 PolarHBondContact O-NZ 2.85Å; M385-K416 VanDerWaalsContact O-NZ 3.08Å; N414-K416 PolarHBondContact O-N 3.35Å; N414-K416 VanDerWaalsContact OD1-CB 3.29Å; N414-K416 WeakPolarHBondContact OD1-CB 3.42Å; N414-K416 WeakPolarHBondContact OD1-CG 3.18Å; N414-K416 PolarHBondContact OD1-N 3.07Å
417F98Very high97.6Very high19 Ų1966.3 Ų66.38%0.08333%0.326CS..SBendtrans-92.8122.3178.9-68.8-98.4000110Y381 I384 M385 Y413 N414 Y415 S421 K422Y381-F417 HydrophobicContact CD2-CE1 4.4Å; Y381-F417 AromaticContact CD2-CZ 3.89Å; Y381-F417 HydrophobicContact CD2-CZ 3.89Å; Y381-F417 HydrophobicContact CE2-CZ 4.15Å; Y381-F417 HydrophobicContact CG-CZ 4.24Å; I384-F417 HydrophobicContact CB-CD1 4.32Å; I384-F417 HydrophobicContact CB-CE1 3.79Å; I384-F417 HydrophobicContact CB-CE2 4.25Å; I384-F417 HydrophobicContact CB-CZ 3.75Å; I384-F417 HydrophobicContact CD1-CD1 3.95Å; I384-F417 HydrophobicContact CD1-CE1 3.81Å; I384-F417 HydrophobicContact CG1-CE1 4.38Å; I384-F417 HydrophobicContact CG2-CD1 3.9Å; I384-F417 HydrophobicContact CG2-CD2 3.88Å; I384-F417 HydrophobicContact CG2-CE1 3.82Å; I384-F417 HydrophobicContact CG2-CE2 3.79Å; I384-F417 HydrophobicContact CG2-CG 3.94Å; I384-F417 HydrophobicContact CG2-CZ 3.76Å; M385-F417 HydrophobicContact CB-CE2 3.97Å; M385-F417 HydrophobicContact CB-CZ 4.07Å; M385-F417 HydrophobicContact SD-CE2 4.02Å; Y413-F417 HydrophobicContact CD1-CB 4.42Å; Y413-F417 AromaticContact CD1-CD1 3.72Å; Y413-F417 HydrophobicContact CD1-CD1 3.72Å; Y413-F417 AromaticContact CD1-CD2 3.94Å; Y413-F417 HydrophobicContact CD1-CD2 3.94Å; Y413-F417 AromaticContact CD1-CE1 3.84Å; Y413-F417 HydrophobicContact CD1-CE1 3.84Å; Y413-F417 HydrophobicContact CD1-CE2 4.05Å; Y413-F417 AromaticContact CD1-CG 3.77Å; Y413-F417 HydrophobicContact CD1-CG 3.77Å; Y413-F417 HydrophobicContact CD1-CZ 4Å; Y413-F417 HydrophobicContact CE1-CD1 4.1Å; Y413-F417 AromaticContact CE1-CE1 3.97Å; Y413-F417 HydrophobicContact CE1-CE1 3.97Å; Y413-F417 HydrophobicContact CE1-CZ 4.35Å; N414-F417 PolarHBondContact O-N 2.99Å; Y415-F417 PolarHBondContact O-N 3.09Å; F417-S421 VanDerWaalsContact CA-OG 3.24Å; F417-S421 WeakPolarHBondContact CA-OG 3.44Å; F417-S421 WeakPolarHBondContact CB-OG 3.26Å; F417-K422 HydrophobicContact CB-CB 4.24Å
418S97.9Very high97.6Very high41 Ų4164.8 Ų64.829%0.28732%0.316SS..  trans-63.2160.3158.966.90000111.2E290 N420 S421 K422E290-S418 PolarHBondContact OE1-OG 2.92Å; E290-S418 WeakPolarHBondContact OE2-CB 3.33Å; E290-S418 PolarHBondContact OE2-N 3.48Å; E290-S418 PolarHBondContact OE2-OG 3.05Å; S418-N420 PolarHBondContact O-N 2.97Å; S418-S421 PolarHBondContact N-OG 2.7Å; S418-S421 PolarHBondContact O-N 2.87Å; S418-S421 VanDerWaalsContact O-N 3.11Å; S418-S421 PolarHBondContact O-OG 3.31Å; S418-S421 WeakPolarHBondContact OG-CB 3.46Å; S418-S421 PolarHBondContact OG-N 2.95Å; S418-S421 VanDerWaalsContact OG-N 3.1Å; S418-S421 PolarHBondContact OG-OG 3Å; S418-K422 WeakPolarHBondContact O-CB 3.38Å; S418-K422 PolarHBondContact O-N 3.18Å
419D98.2Very high97.7Very high123 Ų12358.9 Ų58.966%0.65829%0.288SS*.Hα-helixtrans-54.2-38.1174.6-70.9-30.6000112.4K423D419-K423 WeakPolarHBondContact O-CB 3.49Å; D419-K423 VanDerWaalsContact O-CG 3.23Å; D419-K423 WeakPolarHBondContact O-CG 3.27Å; D419-K423 PolarHBondContact O-N 3.04Å
420N98.1Very high97.7Very high65 Ų6560 Ų6035%0.34829%0.291SS..Hα-helixtrans-69.7-44.1178.1-74.6-27.6000111.9S418 K423 F424 H450 W452S418-N420 PolarHBondContact O-N 2.97Å; N420-K423 PolarHBondContact O-N 2.85Å; N420-F424 WeakPolarHBondContact O-CB 3.08Å; N420-F424 PolarHBondContact O-N 2.93Å; N420-H450 PolarHBondContact O-CE1 3.1Å; N420-W452 HydrophobicContact CB-CB 4.26Å
421S98.2Very high97.8Very high0 Ų057 Ų570%027%0.269CS..Hα-helixtrans-65.3-40178.169.10000112.2F417 S418 F424 C425 W452F417-S421 VanDerWaalsContact CA-OG 3.24Å; F417-S421 WeakPolarHBondContact CA-OG 3.44Å; F417-S421 WeakPolarHBondContact CB-OG 3.26Å; S418-S421 PolarHBondContact N-OG 2.7Å; S418-S421 PolarHBondContact O-N 2.87Å; S418-S421 VanDerWaalsContact O-N 3.11Å; S418-S421 PolarHBondContact O-OG 3.31Å; S418-S421 WeakPolarHBondContact OG-CB 3.46Å; S418-S421 PolarHBondContact OG-N 2.95Å; S418-S421 VanDerWaalsContact OG-N 3.1Å; S418-S421 PolarHBondContact OG-OG 3Å; S421-F424 PolarHBondContact O-N 3.18Å; S421-C425 PolarHBondContact O-N 3.23Å; S421-W452 VanDerWaalsContact CB-NE1 3.33Å
422K98.6Very high97.8Very high80 Ų8059.7 Ų59.735%0.34828%0.284SS..Hα-helixtrans-60.6-52.2174.5177.6175.8177-178.50111Y413 F417 S418 F424 C425 Q426Y413-K422 HydrophobicContact CD1-CB 4.27Å; Y413-K422 HydrophobicContact CD1-CG 3.92Å; Y413-K422 HydrophobicContact CD2-CD 4.13Å; Y413-K422 HydrophobicContact CD2-CG 3.93Å; Y413-K422 HydrophobicContact CE1-CG 4.12Å; Y413-K422 HydrophobicContact CE2-CG 4.12Å; Y413-K422 HydrophobicContact CG-CD 4.03Å; Y413-K422 HydrophobicContact CG-CG 3.82Å; F417-K422 HydrophobicContact CB-CB 4.24Å; S418-K422 WeakPolarHBondContact O-CB 3.38Å; S418-K422 PolarHBondContact O-N 3.18Å; K422-F424 VanDerWaalsContact C-N 3.25Å; K422-F424 PolarHBondContact O-N 2.61Å; K422-C425 PolarHBondContact O-N 3.38Å; K422-Q426 HydrophobicContact CG-CG 4.33Å; K422-Q426 WeakPolarHBondContact O-CB 3.36Å; K422-Q426 VanDerWaalsContact O-CG 3.29Å; K422-Q426 WeakPolarHBondContact O-CG 3.14Å; K422-Q426 PolarHBondContact O-N 3.1Å
423K98.5Very high97.9Very high115 Ų11554.6 Ų54.650%0.526%0.263SS..Hα-helixtrans-59.2-37.1178.1-74.9172.8-176.7176.20112.4D419 N420 S427D419-K423 WeakPolarHBondContact O-CB 3.49Å; D419-K423 VanDerWaalsContact O-CG 3.23Å; D419-K423 WeakPolarHBondContact O-CG 3.27Å; D419-K423 PolarHBondContact O-N 3.04Å; N420-K423 PolarHBondContact O-N 2.85Å; K423-S427 WeakPolarHBondContact O-CB 3.21Å; K423-S427 PolarHBondContact O-N 2.89Å; K423-S427 PolarHBondContact O-OG 3.38Å
424F98.7Very high97.8Very high0 Ų060.5 Ų60.50%029%0.292CS..Hα-helixtrans-63.5-51.8176-173.5-113.5000111.6V380 N420 S421 K422 Q426 S427 L428 L437 V447 H450 W452 F453V380-F424 HydrophobicContact CG1-CD1 4.31Å; V380-F424 HydrophobicContact CG2-CE1 4.18Å; N420-F424 WeakPolarHBondContact O-CB 3.08Å; N420-F424 PolarHBondContact O-N 2.93Å; S421-F424 PolarHBondContact O-N 3.18Å; K422-F424 VanDerWaalsContact C-N 3.25Å; K422-F424 PolarHBondContact O-N 2.61Å; F424-Q426 PolarHBondContact O-N 3.24Å; F424-S427 PolarHBondContact O-N 2.75Å; F424-L428 HydrophobicContact CD1-CD1 3.92Å; F424-L428 HydrophobicContact CE1-CD1 3.39Å; F424-L428 HydrophobicContact CE2-CD1 4.13Å; F424-L428 HydrophobicContact CG-CD1 4.48Å; F424-L428 HydrophobicContact CZ-CD1 3.53Å; F424-L428 HydrophobicContact CZ-CG 4.4Å; F424-L428 PolarHBondContact O-N 3.49Å; F424-L428 VanDerWaalsContact O-N 3.1Å; F424-L437 HydrophobicContact CD2-CD2 3.89Å; F424-L437 HydrophobicContact CE2-CD2 3.73Å; F424-V447 HydrophobicContact CE2-CG1 3.93Å; F424-V447 HydrophobicContact CZ-CG1 3.85Å; F424-H450 VanDerWaalsContact CB-CE1 3.46Å; F424-H450 WeakPolarHBondContact CB-CE1 3.45Å; F424-H450 HydrophobicContact CD2-CB 3.83Å; F424-H450 AromaticContact CD2-CE1 3.93Å; F424-H450 AromaticContact CD2-CG 3.49Å; F424-H450 VanDerWaalsContact CD2-CG 3.49Å; F424-H450 AromaticContact CD2-ND1 3.38Å; F424-H450 WeakPolarHBondContact CD2-ND1 3.49Å; F424-H450 HydrophobicContact CE2-CB 4.05Å; F424-H450 AromaticContact CG-ND1 3.91Å; F424-H450 PolarHBondContact N-CE1 3.41Å; F424-W452 HydrophobicContact CB-CB 3.97Å; F424-W452 HydrophobicContact CB-CD2 4.31Å; F424-W452 HydrophobicContact CB-CE3 4.24Å; F424-W452 HydrophobicContact CB-CG 4.23Å; F424-W452 HydrophobicContact CD1-CD2 4.04Å; F424-W452 AromaticContact CD1-CE3 3.19Å; F424-W452 HydrophobicContact CD1-CE3 3.19Å; F424-W452 HydrophobicContact CD1-CH2 4.49Å; F424-W452 AromaticContact CD1-CZ3 3.47Å; F424-W452 HydrophobicContact CD1-CZ3 3.47Å; F424-W452 VanDerWaalsContact CD1-CZ3 3.47Å; F424-W452 HydrophobicContact CD2-CE3 4.37Å; F424-W452 AromaticContact CE1-CE3 3.48Å; F424-W452 HydrophobicContact CE1-CE3 3.48Å; F424-W452 VanDerWaalsContact CE1-CE3 3.48Å; F424-W452 AromaticContact CE1-CZ3 3.47Å; F424-W452 HydrophobicContact CE1-CZ3 3.47Å; F424-W452 VanDerWaalsContact CE1-CZ3 3.47Å; F424-W452 HydrophobicContact CG-CB 4.24Å; F424-W452 HydrophobicContact CG-CD2 4.24Å; F424-W452 AromaticContact CG-CE3 3.68Å; F424-W452 HydrophobicContact CG-CE3 3.68Å; F424-W452 HydrophobicContact CG-CG 4.5Å; F424-W452 HydrophobicContact CG-CZ3 4.39Å; F424-W452 HydrophobicContact CZ-CE3 4.17Å; F424-W452 HydrophobicContact CZ-CZ3 4.39Å; F424-F453 HydrophobicContact CE1-CE2 4.11Å; F424-F453 HydrophobicContact CE1-CZ 4.09Å; F424-F453 HydrophobicContact CE2-CD2 4.19Å; F424-F453 AromaticContact CE2-CE2 3.67Å; F424-F453 HydrophobicContact CE2-CE2 3.67Å; F424-F453 HydrophobicContact CE2-CZ 4.44Å; F424-F453 HydrophobicContact CZ-CD2 4.26Å; F424-F453 AromaticContact CZ-CE2 3.33Å; F424-F453 HydrophobicContact CZ-CE2 3.33Å; F424-F453 AromaticContact CZ-CZ 3.73Å; F424-F453 HydrophobicContact CZ-CZ 3.73Å
425C98.5Very high97.9Very high0 Ų062 Ų620%031%0.305CS..Hα-helixtrans-57.8-47.1175.7-80.40000111.9V380 Y413 S421 K422 S427 L428 L429V380-C425 VanDerWaalsContact CG1-SG 3.55Å; Y413-C425 HydrophobicContact CE1-CB 3.71Å; Y413-C425 VanDerWaalsContact OH-CB 3.28Å; Y413-C425 WeakPolarHBondContact OH-CB 3.23Å; S421-C425 PolarHBondContact O-N 3.23Å; K422-C425 PolarHBondContact O-N 3.38Å; C425-S427 VanDerWaalsContact C-N 3.27Å; C425-S427 PolarHBondContact O-N 3.4Å; C425-L428 PolarHBondContact O-N 3.13Å; C425-L428 VanDerWaalsContact O-N 3.16Å; C425-L429 VanDerWaalsContact O-CB 3.31Å; C425-L429 WeakPolarHBondContact O-CB 3.25Å; C425-L429 WeakPolarHBondContact O-CG 3.27Å; C425-L429 PolarHBondContact O-N 3.42Å
426Q98.6Very high98Very high62 Ų6252.2 Ų52.229%0.2927%0.267SS..Hα-helixtrans-60.5-36.2179.1-72.3-179-44.800112.5E411 Y413 K422 F424 Q430E411-Q426 WeakPolarHBondContact OE1-CG 3.48Å; Y413-Q426 HydrophobicContact CE2-CG 3.64Å; Y413-Q426 VanDerWaalsContact OH-CG 3.29Å; Y413-Q426 WeakPolarHBondContact OH-CG 3.41Å; Y413-Q426 PolarHBondContact OH-N 3.17Å; K422-Q426 HydrophobicContact CG-CG 4.33Å; K422-Q426 WeakPolarHBondContact O-CB 3.36Å; K422-Q426 VanDerWaalsContact O-CG 3.29Å; K422-Q426 WeakPolarHBondContact O-CG 3.14Å; K422-Q426 PolarHBondContact O-N 3.1Å; F424-Q426 PolarHBondContact O-N 3.24Å; Q426-Q430 WeakPolarHBondContact O-CG 3.2Å; Q426-Q430 PolarHBondContact O-N 3.48Å; Q426-Q430 PolarHBondContact O-NE2 3.45Å
427S98.6Very high98.2Very high39 Ų3950.5 Ų50.527%0.27326%0.26SS..Hα-helixtrans-71.6-33.7178-54.40000112.3K423 F424 C425 L437K423-S427 WeakPolarHBondContact O-CB 3.21Å; K423-S427 PolarHBondContact O-N 2.89Å; K423-S427 PolarHBondContact O-OG 3.38Å; F424-S427 PolarHBondContact O-N 2.75Å; C425-S427 VanDerWaalsContact C-N 3.27Å; C425-S427 PolarHBondContact O-N 3.4Å; S427-L437 PolarHBondContact O-N 3.15Å
428L98.7Very high98.2Very high0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-80.6-30175.4-71.3171.4000113.4W373 L376 F424 C425 Q430 R436 L437W373-L428 HydrophobicContact CB-CD2 4.03Å; L376-L428 HydrophobicContact CB-CD1 4.41Å; L376-L428 HydrophobicContact CD2-CD1 4.07Å; L376-L428 HydrophobicContact CG-CD1 3.98Å; F424-L428 HydrophobicContact CD1-CD1 3.92Å; F424-L428 HydrophobicContact CE1-CD1 3.39Å; F424-L428 HydrophobicContact CE2-CD1 4.13Å; F424-L428 HydrophobicContact CG-CD1 4.48Å; F424-L428 HydrophobicContact CZ-CD1 3.53Å; F424-L428 HydrophobicContact CZ-CG 4.4Å; F424-L428 PolarHBondContact O-N 3.49Å; F424-L428 VanDerWaalsContact O-N 3.1Å; C425-L428 PolarHBondContact O-N 3.13Å; C425-L428 VanDerWaalsContact O-N 3.16Å; L428-Q430 VanDerWaalsContact C-N 3.31Å; L428-R436 WeakPolarHBondContact O-CD 3.47Å; L428-R436 WeakPolarHBondContact O-CG 3.41Å; L428-L437 HydrophobicContact CD2-CB 4.06Å; L428-L437 HydrophobicContact CD2-CD2 4.37Å; L428-L437 HydrophobicContact CD2-CG 4.49Å; L428-L437 HydrophobicContact CG-CB 4.47Å; L428-L437 HydrophobicContact CG-CD2 4.41Å
429L98.7Very high98.1Very high3 Ų350 Ų502%0.01626%0.26CS..SBendtrans-90.611.1-177.9-67.5175.3000113.6F374 F390 E411 C425 K431F374-L429 HydrophobicContact CD2-CD2 4.06Å; F374-L429 HydrophobicContact CE1-CD2 4.41Å; F374-L429 HydrophobicContact CE2-CD2 3.8Å; F374-L429 HydrophobicContact CG-CD2 4.47Å; F374-L429 HydrophobicContact CZ-CD2 4Å; F390-L429 HydrophobicContact CE2-CD2 4.41Å; E411-L429 HydrophobicContact CB-CD1 4.46Å; E411-L429 HydrophobicContact CG-CD1 3.8Å; C425-L429 VanDerWaalsContact O-CB 3.31Å; C425-L429 WeakPolarHBondContact O-CB 3.25Å; C425-L429 WeakPolarHBondContact O-CG 3.27Å; C425-L429 PolarHBondContact O-N 3.42Å; L429-K431 PolarHBondContact O-N 3.47Å
430Q98.5Very high98Very high79 Ų7947.7 Ų47.737%0.36925%0.248SC..  trans-53.4130.7170.9-71.7-60-40.900110.9Q426 L428 C435 R436Q426-Q430 WeakPolarHBondContact O-CG 3.2Å; Q426-Q430 PolarHBondContact O-N 3.48Å; Q426-Q430 PolarHBondContact O-NE2 3.45Å; L428-Q430 VanDerWaalsContact C-N 3.31Å; Q430-C435 HydrophobicContact CB-CB 4.48Å; Q430-C435 HydrophobicContact CG-CB 4.43Å; Q430-R436 HydrophobicContact CB-CB 4.08Å; Q430-R436 HydrophobicContact CB-CG 4.39Å; Q430-R436 PolarHBondContact O-NE 3.38Å; Q430-R436 PolarHBondContact O-NH2 2.88Å
431K98.1Very high97.7Very high48 Ų4853.3 Ų53.321%0.20928%0.278CS..SBendtrans-71.3-41.1-177-50.5-54.9-173.7-173.80111.5P359 F390 V406 D409 L429 P433 R436P359-K431 HydrophobicContact CG-CB 4.24Å; P359-K431 HydrophobicContact CG-CD 3.96Å; F390-K431 VanDerWaalsContact CE1-NZ 3.34Å; F390-K431 VanDerWaalsContact CZ-NZ 3.28Å; V406-K431 WeakPolarHBondContact O-CD 3.46Å; V406-K431 VanDerWaalsContact O-CE 3.32Å; V406-K431 WeakPolarHBondContact O-CE 3.33Å; V406-K431 PolarHBondContact O-NZ 3.46Å; D409-K431 WeakPolarHBondContact O-CE 3.23Å; D409-K431 PolarHBondContact O-NZ 2.82Å; L429-K431 PolarHBondContact O-N 3.47Å; K431-P433 WeakPolarHBondContact O-CD 3.5Å; K431-R436 PolarHBondContact O-NH2 3.5Å
432D97.6Very high97.6Very high75 Ų7555.9 Ų55.940%0.40130%0.299SS..SBendtrans-74.6118171.2-173.5-12.1000109.7H434 C435 R436D432-H434 PolarHBondContact O-N 3.39Å; D432-H434 WeakPolarHBondContact OD1-CB 3.47Å; D432-H434 IonicContact OD1-CD2 3.34Å; D432-H434 PolarHBondContact OD1-CD2 3.41Å; D432-H434 IonicContact OD1-CG 3.64Å; D432-H434 PolarHBondContact OD1-N 3.3Å; D432-C435 HydrophobicContact CB-CB 4.42Å; D432-C435 PolarHBondContact O-N 2.93Å; D432-R436 PolarHBondContact O-N 3.25Å
433P97.4Very high97.4Very high33 Ų3352.6 Ų52.621%0.21429%0.288CS..G310 helixtrans-60.8-26.5176.826.4-35.5000113.2K431 C435 R436 C439K431-P433 WeakPolarHBondContact O-CD 3.5Å; P433-C435 VanDerWaalsContact C-N 3.27Å; P433-C435 PolarHBondContact O-N 2.91Å; P433-R436 WeakPolarHBondContact O-CB 3.33Å; P433-R436 PolarHBondContact O-N 3.41Å; P433-C439 WeakPolarHBondContact O-CB 3.41Å
434H96.1Very high97.3Very high168 Ų16848.5 Ų48.578%0.77827%0.273SS*.G310 helixtrans-71.6-22.1178.7-63.3-65.1000113.4D432D432-H434 PolarHBondContact O-N 3.39Å; D432-H434 WeakPolarHBondContact OD1-CB 3.47Å; D432-H434 IonicContact OD1-CD2 3.34Å; D432-H434 PolarHBondContact OD1-CD2 3.41Å; D432-H434 IonicContact OD1-CG 3.64Å; D432-H434 PolarHBondContact OD1-N 3.3Å
435C97.5Very high97.2Very high82 Ų8251.9 Ų51.955%0.55429%0.289SS*.G310 helixtrans-97.4-2175-59.90000112.6Q430 D432 P433Q430-C435 HydrophobicContact CB-CB 4.48Å; Q430-C435 HydrophobicContact CG-CB 4.43Å; D432-C435 HydrophobicContact CB-CB 4.42Å; D432-C435 PolarHBondContact O-N 2.93Å; P433-C435 VanDerWaalsContact C-N 3.27Å; P433-C435 PolarHBondContact O-N 2.91Å
436R98.4Very high97.1Very high4 Ų452.8 Ų52.82%0.01530%0.295CS..SBendtrans-82.6133.4-173.5-167.6179.6-61.2146.38.7111.2E360 S370 L428 Q430 K431 D432 P433 G438 C439E360-R436 IonicContact OE1-CZ 3.74Å; E360-R436 IonicContact OE1-NH1 3.71Å; E360-R436 PolarHBondContact OE1-NH1 2.74Å; E360-R436 IonicContact OE1-NH2 2.68Å; E360-R436 IonicContact OE2-CZ 2.85Å; E360-R436 IonicContact OE2-NH1 3.69Å; E360-R436 PolarHBondContact OE2-NH1 2.87Å; E360-R436 IonicContact OE2-NH2 3.27Å; E360-R436 PolarHBondContact OE2-NH2 2.92Å; S370-R436 PolarHBondContact O-NH1 3.41Å; L428-R436 WeakPolarHBondContact O-CD 3.47Å; L428-R436 WeakPolarHBondContact O-CG 3.41Å; Q430-R436 HydrophobicContact CB-CB 4.08Å; Q430-R436 HydrophobicContact CB-CG 4.39Å; Q430-R436 PolarHBondContact O-NE 3.38Å; Q430-R436 PolarHBondContact O-NH2 2.88Å; K431-R436 PolarHBondContact O-NH2 3.5Å; D432-R436 PolarHBondContact O-N 3.25Å; P433-R436 WeakPolarHBondContact O-CB 3.33Å; P433-R436 PolarHBondContact O-N 3.41Å; R436-G438 PolarHBondContact O-N 2.99Å; R436-C439 HydrophobicContact CB-CB 4.46Å; R436-C439 VanDerWaalsContact O-CB 3.29Å; R436-C439 WeakPolarHBondContact O-CB 3.45Å; R436-C439 PolarHBondContact O-N 3.1Å
437L98.5Very high97.1Very high24 Ų2449.8 Ų49.813%0.12628%0.281CS..THydrogen-bonded Turntrans-56.4136.9175.1-171.567000110.7F424 S427 L428 C439 V447 H450F424-L437 HydrophobicContact CD2-CD2 3.89Å; F424-L437 HydrophobicContact CE2-CD2 3.73Å; S427-L437 PolarHBondContact O-N 3.15Å; L428-L437 HydrophobicContact CD2-CB 4.06Å; L428-L437 HydrophobicContact CD2-CD2 4.37Å; L428-L437 HydrophobicContact CD2-CG 4.49Å; L428-L437 HydrophobicContact CG-CB 4.47Å; L428-L437 HydrophobicContact CG-CD2 4.41Å; L437-C439 VanDerWaalsContact C-N 3.3Å; L437-V447 HydrophobicContact CD2-CG2 4.46Å; L437-V447 HydrophobicContact CG-CG2 4.02Å; L437-H450 HydrophobicContact CD2-CB 4.36Å
438G98Very high97.1Very high6 Ų649 Ų496%0.06227%0.272CS..THydrogen-bonded Turntrans84.3-4-174.600000115.4W373 R436 G443 S446W373-G438 PolarHBondContact NE1-O 3.22Å; R436-G438 PolarHBondContact O-N 2.99Å; G438-G443 WeakPolarHBondContact CA-O 3.48Å; G438-G443 WeakPolarHBondContact O-CA 3.44Å; G438-S446 PolarHBondContact N-OG 3.44Å
439C97.5Very high97Very high44 Ų4455.7 Ų55.730%0.29730%0.304SS..  trans-104.91.5176.5-54.60000113.3S370 P433 R436 L437S370-C439 VanDerWaalsContact CA-SG 3.59Å; S370-C439 WeakPolarHBondContact CB-SG 3.25Å; P433-C439 WeakPolarHBondContact O-CB 3.41Å; R436-C439 HydrophobicContact CB-CB 4.46Å; R436-C439 VanDerWaalsContact O-CB 3.29Å; R436-C439 WeakPolarHBondContact O-CB 3.45Å; R436-C439 PolarHBondContact O-N 3.1Å; L437-C439 VanDerWaalsContact C-N 3.3Å
440D94.7Very high97Very high75 Ų7557.2 Ų57.240%0.40131%0.31SS..SBendtrans-78.8174.7170.355.719.6000111.5A442 G443 S446D440-A442 PolarHBondContact O-N 3.03Å; D440-A442 VanDerWaalsContact O-N 3.14Å; D440-A442 PolarHBondContact OD1-N 3.31Å; D440-G443 WeakPolarHBondContact O-CA 3.27Å; D440-G443 PolarHBondContact O-N 2.7Å; D440-G443 PolarHBondContact OD1-N 2.7Å; D440-S446 VanDerWaalsContact CG-OG 3.3Å; D440-S446 WeakPolarHBondContact OD1-CB 3.3Å; D440-S446 PolarHBondContact OD1-OG 2.85Å; D440-S446 WeakPolarHBondContact OD2-CB 3.38Å; D440-S446 PolarHBondContact OD2-OG 2.89Å; D440-S446 VanDerWaalsContact OD2-OG 3.13Å
441D92.9Very high97Very high183 Ų18358.5 Ų58.598%0.97932%0.32SS*.THydrogen-bonded Turntrans-62.5-20.7-179.7-65.8-28.4000113.1G443D441-G443 VanDerWaalsContact C-N 3.35Å
442A94.5Very high97Very high53 Ų5356.4 Ų56.444%0.43831%0.311SS..THydrogen-bonded Turntrans-79.3-19.4174.300000112.5D440 E445D440-A442 PolarHBondContact O-N 3.03Å; D440-A442 VanDerWaalsContact O-N 3.14Å; D440-A442 PolarHBondContact OD1-N 3.31Å; A442-E445 WeakPolarHBondContact O-CB 3.27Å; A442-E445 PolarHBondContact O-N 3.38Å
443G94.5Very high97Very high12 Ų1253 Ų5312%0.12429%0.292CS..THydrogen-bonded Turntrans53.9-129174.500000112.4G438 D440 D441 E445 S446G438-G443 WeakPolarHBondContact CA-O 3.48Å; G438-G443 WeakPolarHBondContact O-CA 3.44Å; D440-G443 WeakPolarHBondContact O-CA 3.27Å; D440-G443 PolarHBondContact O-N 2.7Å; D440-G443 PolarHBondContact OD1-N 2.7Å; D441-G443 VanDerWaalsContact C-N 3.35Å; G443-E445 PolarHBondContact O-N 2.84Å; G443-S446 PolarHBondContact O-N 3.14Å; G443-S446 VanDerWaalsContact O-N 3.13Å; G443-S446 PolarHBondContact O-OG 3.31Å
444P96.2Very high96.9Very high28 Ų2856.2 Ų56.218%0.18232%0.316CS..Hα-helixtrans-53.7-28.1177.6-22.129.2000114.8Q305 W373 V447 K448Q305-P444 HydrophobicContact CB-CB 3.84Å; Q305-P444 HydrophobicContact CB-CG 3.97Å; Q305-P444 HydrophobicContact CG-CB 3.78Å; Q305-P444 HydrophobicContact CG-CG 3.83Å; W373-P444 HydrophobicContact CH2-CB 4.06Å; W373-P444 HydrophobicContact CH2-CG 4.29Å; W373-P444 HydrophobicContact CZ2-CB 4.1Å; W373-P444 HydrophobicContact CZ2-CG 3.9Å; P444-V447 WeakPolarHBondContact O-CB 3.16Å; P444-V447 PolarHBondContact O-N 2.94Å; P444-K448 WeakPolarHBondContact O-CG 3.37Å; P444-K448 PolarHBondContact O-N 2.94Å
445E97.1Very high96.7Very high72 Ų7252 Ų5234%0.33630%0.304SS..Hα-helixtrans-68.3-35.7-179.7-65.8-57.5136.700112A442 G443 V447 K448 H449A442-E445 WeakPolarHBondContact O-CB 3.27Å; A442-E445 PolarHBondContact O-N 3.38Å; G443-E445 PolarHBondContact O-N 2.84Å; E445-V447 VanDerWaalsContact C-N 3.27Å; E445-V447 PolarHBondContact O-N 2.71Å; E445-K448 PolarHBondContact O-N 2.77Å; E445-K448 IonicContact OE1-NZ 2.77Å; E445-K448 PolarHBondContact OE1-NZ 2.77Å; E445-K448 IonicContact OE2-NZ 2.69Å; E445-K448 PolarHBondContact OE2-NZ 2.92Å; E445-H449 PolarHBondContact O-N 3.08Å; E445-H449 PolarHBondContact O-ND1 2.82Å; E445-H449 IonicContact OE2-CE1 2.86Å; E445-H449 PolarHBondContact OE2-CE1 3.3Å; E445-H449 IonicContact OE2-ND1 2.91Å
446S97.5Very high96.6Very high18 Ų1849.5 Ų49.513%0.12629%0.285CS..Hα-helixtrans-63.6-36.6175.760.40000111.6G438 D440 G443 H450G438-S446 PolarHBondContact N-OG 3.44Å; D440-S446 VanDerWaalsContact CG-OG 3.3Å; D440-S446 WeakPolarHBondContact OD1-CB 3.3Å; D440-S446 PolarHBondContact OD1-OG 2.85Å; D440-S446 WeakPolarHBondContact OD2-CB 3.38Å; D440-S446 PolarHBondContact OD2-OG 2.89Å; D440-S446 VanDerWaalsContact OD2-OG 3.13Å; G443-S446 PolarHBondContact O-N 3.14Å; G443-S446 VanDerWaalsContact O-N 3.13Å; G443-S446 PolarHBondContact O-OG 3.31Å; S446-H450 PolarHBondContact O-N 2.71Å
447V98.5Very high96.2Very high0 Ų051.4 Ų51.40%030%0.296CS..Hα-helixtrans-62.1-48.4173.5-176.60000110.5T301 W373 L376 F424 L437 P444 E445 H449 H450 F453T301-V447 HydrophobicContact CG2-CB 4.3Å; T301-V447 HydrophobicContact CG2-CG1 3.83Å; W373-V447 HydrophobicContact CD2-CG2 4.22Å; W373-V447 HydrophobicContact CE3-CG2 3.88Å; W373-V447 HydrophobicContact CH2-CG2 4.1Å; W373-V447 HydrophobicContact CZ2-CG2 4.39Å; W373-V447 HydrophobicContact CZ3-CB 4.33Å; W373-V447 HydrophobicContact CZ3-CG1 4.15Å; W373-V447 HydrophobicContact CZ3-CG2 3.83Å; L376-V447 HydrophobicContact CD2-CG1 4.34Å; F424-V447 HydrophobicContact CE2-CG1 3.93Å; F424-V447 HydrophobicContact CZ-CG1 3.85Å; L437-V447 HydrophobicContact CD2-CG2 4.46Å; L437-V447 HydrophobicContact CG-CG2 4.02Å; P444-V447 WeakPolarHBondContact O-CB 3.16Å; P444-V447 PolarHBondContact O-N 2.94Å; E445-V447 VanDerWaalsContact C-N 3.27Å; E445-V447 PolarHBondContact O-N 2.71Å; V447-H449 VanDerWaalsContact C-N 3.34Å; V447-H449 PolarHBondContact O-N 3.36Å; V447-H450 WeakPolarHBondContact O-CB 3.34Å; V447-H450 PolarHBondContact O-N 2.99Å; V447-F453 HydrophobicContact CG1-CE2 4.14Å; V447-F453 WeakPolarHBondContact O-CD2 3.43Å
448K98.2Very high96Very high22 Ų2252 Ų5210%0.09630%0.296CS..Hα-helixtrans-65-33-177.5-71.3167.160.9-172.20114T301 P444 E445 H450 W458T301-K448 HydrophobicContact CG2-CG 4.11Å; P444-K448 WeakPolarHBondContact O-CG 3.37Å; P444-K448 PolarHBondContact O-N 2.94Å; E445-K448 PolarHBondContact O-N 2.77Å; E445-K448 IonicContact OE1-NZ 2.77Å; E445-K448 PolarHBondContact OE1-NZ 2.77Å; E445-K448 IonicContact OE2-NZ 2.69Å; E445-K448 PolarHBondContact OE2-NZ 2.92Å; K448-H450 VanDerWaalsContact C-N 3.34Å; K448-W458 VanDerWaalsContact CA-CZ2 3.48Å; K448-W458 HydrophobicContact CB-CD2 4.16Å; K448-W458 HydrophobicContact CB-CH2 4.32Å; K448-W458 HydrophobicContact CB-CZ2 3.71Å; K448-W458 HydrophobicContact CD-CD2 4.3Å; K448-W458 HydrophobicContact CD-CE3 4.3Å; K448-W458 HydrophobicContact CG-CD2 3.88Å; K448-W458 HydrophobicContact CG-CE3 3.98Å; K448-W458 HydrophobicContact CG-CH2 3.72Å; K448-W458 HydrophobicContact CG-CZ2 3.63Å; K448-W458 HydrophobicContact CG-CZ3 3.89Å; K448-W458 PolarHBondContact O-NE1 2.89Å; K448-W458 VanDerWaalsContact O-NE1 3.08Å
449H97Very high95.7Very high141 Ų14153.9 Ų53.965%0.65331%0.306SS*.THydrogen-bonded Turntrans-83.9-5.2-179.9-70.994.5000113.9E445 V447 N451E445-H449 PolarHBondContact O-N 3.08Å; E445-H449 PolarHBondContact O-ND1 2.82Å; E445-H449 IonicContact OE2-CE1 2.86Å; E445-H449 PolarHBondContact OE2-CE1 3.3Å; E445-H449 IonicContact OE2-ND1 2.91Å; V447-H449 VanDerWaalsContact C-N 3.34Å; V447-H449 PolarHBondContact O-N 3.36Å; H449-N451 PolarHBondContact O-N 3.45Å
450H98.3Very high95.5Very high34 Ų3454.2 Ų54.216%0.15730%0.301CS..SBendtrans-61.1136.5176.8-171.7-88.1000111.2N420 F424 L437 S446 V447 K448 W452 F453N420-H450 PolarHBondContact O-CE1 3.1Å; F424-H450 VanDerWaalsContact CB-CE1 3.46Å; F424-H450 WeakPolarHBondContact CB-CE1 3.45Å; F424-H450 HydrophobicContact CD2-CB 3.83Å; F424-H450 AromaticContact CD2-CE1 3.93Å; F424-H450 AromaticContact CD2-CG 3.49Å; F424-H450 VanDerWaalsContact CD2-CG 3.49Å; F424-H450 AromaticContact CD2-ND1 3.38Å; F424-H450 WeakPolarHBondContact CD2-ND1 3.49Å; F424-H450 HydrophobicContact CE2-CB 4.05Å; F424-H450 AromaticContact CG-ND1 3.91Å; F424-H450 PolarHBondContact N-CE1 3.41Å; L437-H450 HydrophobicContact CD2-CB 4.36Å; S446-H450 PolarHBondContact O-N 2.71Å; V447-H450 WeakPolarHBondContact O-CB 3.34Å; V447-H450 PolarHBondContact O-N 2.99Å; K448-H450 VanDerWaalsContact C-N 3.34Å; H450-W452 WeakPolarHBondContact ND1-CB 3.48Å; H450-W452 PolarHBondContact ND1-N 2.77Å; H450-W452 VanDerWaalsContact ND1-N 3.19Å; H450-W452 PolarHBondContact O-N 3.21Å; H450-F453 PolarHBondContact O-N 3.18Å
451N97.9Very high95.6Very high107 Ų10750.7 Ų50.757%0.57228%0.283SS*.G310 helixtrans-55-23.6-174.4-75.8-9.5000114.7H449 F453 S454H449-N451 PolarHBondContact O-N 3.45Å; N451-F453 PolarHBondContact O-N 3.33Å; N451-S454 VanDerWaalsContact O-CB 3.23Å; N451-S454 WeakPolarHBondContact O-CB 3.29Å; N451-S454 PolarHBondContact O-N 3.11Å; N451-S454 VanDerWaalsContact O-N 3.1Å; N451-S454 PolarHBondContact O-OG 3.09Å
452W98.4Very high95.7Very high4 Ų446.8 Ų46.82%0.01526%0.258CS..G310 helixtrans-61.5-28.3174.2-170.655.5000113E290 R294 A297 V380 I384 N420 S421 F424 H450E290-W452 HydrophobicContact CG-CZ2 4.15Å; E290-W452 VanDerWaalsContact OE1-CD1 3.29Å; E290-W452 PolarHBondContact OE1-NE1 3.5Å; R294-W452 VanDerWaalsContact CA-CH2 3.42Å; R294-W452 HydrophobicContact CB-CH2 3.9Å; R294-W452 HydrophobicContact CB-CZ2 3.66Å; R294-W452 HydrophobicContact CB-CZ3 4.44Å; R294-W452 WeakPolarHBondContact CD-O 3.48Å; R294-W452 HydrophobicContact CG-CD2 4.19Å; R294-W452 HydrophobicContact CG-CE3 4.29Å; R294-W452 HydrophobicContact CG-CH2 4.26Å; R294-W452 HydrophobicContact CG-CZ2 4.12Å; R294-W452 HydrophobicContact CG-CZ3 4.33Å; R294-W452 PolarHBondContact NE-O 2.92Å; A297-W452 HydrophobicContact CB-CH2 3.94Å; A297-W452 HydrophobicContact CB-CZ3 3.67Å; V380-W452 HydrophobicContact CG1-CH2 3.51Å; V380-W452 HydrophobicContact CG1-CZ2 4.2Å; V380-W452 HydrophobicContact CG1-CZ3 3.89Å; V380-W452 HydrophobicContact CG2-CH2 4.32Å; V380-W452 HydrophobicContact CG2-CZ3 4.25Å; I384-W452 HydrophobicContact CD1-CZ2 4.09Å; N420-W452 HydrophobicContact CB-CB 4.26Å; S421-W452 VanDerWaalsContact CB-NE1 3.33Å; F424-W452 HydrophobicContact CB-CB 3.97Å; F424-W452 HydrophobicContact CB-CD2 4.31Å; F424-W452 HydrophobicContact CB-CE3 4.24Å; F424-W452 HydrophobicContact CB-CG 4.23Å; F424-W452 HydrophobicContact CD1-CD2 4.04Å; F424-W452 AromaticContact CD1-CE3 3.19Å; F424-W452 HydrophobicContact CD1-CE3 3.19Å; F424-W452 HydrophobicContact CD1-CH2 4.49Å; F424-W452 AromaticContact CD1-CZ3 3.47Å; F424-W452 HydrophobicContact CD1-CZ3 3.47Å; F424-W452 VanDerWaalsContact CD1-CZ3 3.47Å; F424-W452 HydrophobicContact CD2-CE3 4.37Å; F424-W452 AromaticContact CE1-CE3 3.48Å; F424-W452 HydrophobicContact CE1-CE3 3.48Å; F424-W452 VanDerWaalsContact CE1-CE3 3.48Å; F424-W452 AromaticContact CE1-CZ3 3.47Å; F424-W452 HydrophobicContact CE1-CZ3 3.47Å; F424-W452 VanDerWaalsContact CE1-CZ3 3.47Å; F424-W452 HydrophobicContact CG-CB 4.24Å; F424-W452 HydrophobicContact CG-CD2 4.24Å; F424-W452 AromaticContact CG-CE3 3.68Å; F424-W452 HydrophobicContact CG-CE3 3.68Å; F424-W452 HydrophobicContact CG-CG 4.5Å; F424-W452 HydrophobicContact CG-CZ3 4.39Å; F424-W452 HydrophobicContact CZ-CE3 4.17Å; F424-W452 HydrophobicContact CZ-CZ3 4.39Å; H450-W452 WeakPolarHBondContact ND1-CB 3.48Å; H450-W452 PolarHBondContact ND1-N 2.77Å; H450-W452 VanDerWaalsContact ND1-N 3.19Å; H450-W452 PolarHBondContact O-N 3.21Å
453F98.3Very high95.5Very high3 Ų346.1 Ų46.11%0.01325%0.253CS..G310 helixtrans-9512.9174.6-67.7-53.7000114.1R294 A297 A298 F424 V447 H450 N451 C455 I456 W458R294-F453 HydrophobicContact CG-CD1 3.65Å; R294-F453 HydrophobicContact CG-CE1 3.86Å; R294-F453 WeakPolarHBondContact O-CE1 3.31Å; A297-F453 HydrophobicContact CB-CE1 4.08Å; A297-F453 HydrophobicContact CB-CZ 3.94Å; A298-F453 HydrophobicContact CB-CD1 4.21Å; A298-F453 HydrophobicContact CB-CE1 3.83Å; A298-F453 HydrophobicContact CB-CZ 4.44Å; F424-F453 HydrophobicContact CE1-CE2 4.11Å; F424-F453 HydrophobicContact CE1-CZ 4.09Å; F424-F453 HydrophobicContact CE2-CD2 4.19Å; F424-F453 AromaticContact CE2-CE2 3.67Å; F424-F453 HydrophobicContact CE2-CE2 3.67Å; F424-F453 HydrophobicContact CE2-CZ 4.44Å; F424-F453 HydrophobicContact CZ-CD2 4.26Å; F424-F453 AromaticContact CZ-CE2 3.33Å; F424-F453 HydrophobicContact CZ-CE2 3.33Å; F424-F453 AromaticContact CZ-CZ 3.73Å; F424-F453 HydrophobicContact CZ-CZ 3.73Å; V447-F453 HydrophobicContact CG1-CE2 4.14Å; V447-F453 WeakPolarHBondContact O-CD2 3.43Å; H450-F453 PolarHBondContact O-N 3.18Å; N451-F453 PolarHBondContact O-N 3.33Å; F453-C455 PolarHBondContact O-N 3Å; F453-I456 HydrophobicContact CB-CB 4.4Å; F453-I456 HydrophobicContact CB-CG1 4.18Å; F453-I456 HydrophobicContact CD1-CG1 3.82Å; F453-I456 HydrophobicContact CG-CG1 4.44Å; F453-I456 WeakPolarHBondContact O-CB 3.43Å; F453-I456 PolarHBondContact O-N 3.21Å; F453-W458 HydrophobicContact CB-CZ2 3.71Å; F453-W458 HydrophobicContact CD1-CH2 4.33Å; F453-W458 HydrophobicContact CD1-CZ2 4.13Å; F453-W458 AromaticContact CD2-CH2 4Å; F453-W458 HydrophobicContact CD2-CH2 4Å; F453-W458 AromaticContact CD2-CZ2 3.6Å; F453-W458 HydrophobicContact CD2-CZ2 3.6Å; F453-W458 HydrophobicContact CE1-CH2 4.42Å; F453-W458 HydrophobicContact CE2-CH2 4.07Å; F453-W458 HydrophobicContact CE2-CZ2 4.14Å; F453-W458 HydrophobicContact CG-CH2 4.12Å; F453-W458 AromaticContact CG-CZ2 3.58Å; F453-W458 HydrophobicContact CG-CZ2 3.58Å; F453-W458 HydrophobicContact CZ-CH2 4.28Å
454S94.8Very high95.5Very high101 Ų10146.9 Ų46.971%0.70626%0.261SS*.THydrogen-bonded Turntrans-55-25.1-177.850.60000114.8N451N451-S454 VanDerWaalsContact O-CB 3.23Å; N451-S454 WeakPolarHBondContact O-CB 3.29Å; N451-S454 PolarHBondContact O-N 3.11Å; N451-S454 VanDerWaalsContact O-N 3.1Å; N451-S454 PolarHBondContact O-OG 3.09Å
455C92.3Very high95.4Very high80 Ų8049.4 Ų49.454%0.54127%0.272SS..THydrogen-bonded Turntrans-91.1-0.8176.669.50000114.7R294 F453R294-C455 VanDerWaalsContact CD-SG 3.53Å; F453-C455 PolarHBondContact O-N 3Å
456I94.7Very high95.3Very high29 Ų2948.8 Ų48.815%0.14927%0.269CS..  trans-90.9123-178.4-59.6-58.7000109.9R294 A298 F453 W458 L461R294-I456 HydrophobicContact CG-CD1 4.41Å; R294-I456 HydrophobicContact CG-CG1 4.42Å; A298-I456 HydrophobicContact CB-CD1 4.46Å; A298-I456 HydrophobicContact CB-CG1 4.29Å; A298-I456 HydrophobicContact CB-CG2 4.18Å; F453-I456 HydrophobicContact CB-CB 4.4Å; F453-I456 HydrophobicContact CB-CG1 4.18Å; F453-I456 HydrophobicContact CD1-CG1 3.82Å; F453-I456 HydrophobicContact CG-CG1 4.44Å; F453-I456 WeakPolarHBondContact O-CB 3.43Å; F453-I456 PolarHBondContact O-N 3.21Å; I456-W458 HydrophobicContact CG2-CD2 3.89Å; I456-W458 HydrophobicContact CG2-CE3 4.16Å; I456-W458 HydrophobicContact CG2-CG 4.29Å; I456-W458 HydrophobicContact CG2-CZ2 4.29Å; I456-W458 HydrophobicContact CG2-CZ3 4.5Å; I456-W458 PolarHBondContact O-N 2.89Å; I456-L461 HydrophobicContact CG2-CD2 3.99Å
457N91.3Very high95.2Very high44 Ų4454.8 Ų54.824%0.23530%0.3CS..  trans-8795.4165.8-171.2-36.2000109.7V459 R460 L461N457-V459 VanDerWaalsContact C-N 3.33Å; N457-V459 PolarHBondContact O-N 3.44Å; N457-V459 PolarHBondContact OD1-N 2.74Å; N457-R460 HydrophobicContact CB-CB 4.13Å; N457-R460 HydrophobicContact CB-CG 4.32Å; N457-R460 VanDerWaalsContact ND2-CD 3.26Å; N457-R460 WeakPolarHBondContact ND2-CD 3.35Å; N457-R460 PolarHBondContact O-N 3.33Å; N457-R460 PolarHBondContact OD1-N 2.71Å; N457-L461 WeakPolarHBondContact O-CB 3.4Å; N457-L461 PolarHBondContact O-N 3.02Å
458W94.3Very high95.1Very high37 Ų3755.8 Ų55.814%0.1431%0.308CS..Hα-helixtrans-57.8-40.6-175.6-67.3104.3000114.2A298 T301 L302 K448 F453 I456 R460 L461 E462A298-W458 HydrophobicContact CB-CH2 3.69Å; A298-W458 HydrophobicContact CB-CZ3 3.75Å; T301-W458 HydrophobicContact CG2-CH2 4.27Å; T301-W458 HydrophobicContact CG2-CZ3 4.44Å; L302-W458 HydrophobicContact CD1-CE3 4.28Å; L302-W458 HydrophobicContact CD1-CZ3 4.48Å; L302-W458 HydrophobicContact CD2-CE3 4Å; L302-W458 HydrophobicContact CD2-CZ3 4.28Å; L302-W458 HydrophobicContact CG-CE3 4.1Å; L302-W458 HydrophobicContact CG-CZ3 4.05Å; K448-W458 VanDerWaalsContact CA-CZ2 3.48Å; K448-W458 HydrophobicContact CB-CD2 4.16Å; K448-W458 HydrophobicContact CB-CH2 4.32Å; K448-W458 HydrophobicContact CB-CZ2 3.71Å; K448-W458 HydrophobicContact CD-CD2 4.3Å; K448-W458 HydrophobicContact CD-CE3 4.3Å; K448-W458 HydrophobicContact CG-CD2 3.88Å; K448-W458 HydrophobicContact CG-CE3 3.98Å; K448-W458 HydrophobicContact CG-CH2 3.72Å; K448-W458 HydrophobicContact CG-CZ2 3.63Å; K448-W458 HydrophobicContact CG-CZ3 3.89Å; K448-W458 PolarHBondContact O-NE1 2.89Å; K448-W458 VanDerWaalsContact O-NE1 3.08Å; F453-W458 HydrophobicContact CB-CZ2 3.71Å; F453-W458 HydrophobicContact CD1-CH2 4.33Å; F453-W458 HydrophobicContact CD1-CZ2 4.13Å; F453-W458 AromaticContact CD2-CH2 4Å; F453-W458 HydrophobicContact CD2-CH2 4Å; F453-W458 AromaticContact CD2-CZ2 3.6Å; F453-W458 HydrophobicContact CD2-CZ2 3.6Å; F453-W458 HydrophobicContact CE1-CH2 4.42Å; F453-W458 HydrophobicContact CE2-CH2 4.07Å; F453-W458 HydrophobicContact CE2-CZ2 4.14Å; F453-W458 HydrophobicContact CG-CH2 4.12Å; F453-W458 AromaticContact CG-CZ2 3.58Å; F453-W458 HydrophobicContact CG-CZ2 3.58Å; F453-W458 HydrophobicContact CZ-CH2 4.28Å; I456-W458 HydrophobicContact CG2-CD2 3.89Å; I456-W458 HydrophobicContact CG2-CE3 4.16Å; I456-W458 HydrophobicContact CG2-CG 4.29Å; I456-W458 HydrophobicContact CG2-CZ2 4.29Å; I456-W458 HydrophobicContact CG2-CZ3 4.5Å; I456-W458 PolarHBondContact O-N 2.89Å; W458-R460 VanDerWaalsContact C-N 3.33Å; W458-R460 PolarHBondContact O-N 3.23Å; W458-L461 HydrophobicContact CE3-CD2 4.42Å; W458-L461 HydrophobicContact CZ3-CD2 4.45Å; W458-L461 PolarHBondContact O-N 2.75Å; W458-E462 VanDerWaalsContact O-CB 3.3Å; W458-E462 WeakPolarHBondContact O-CB 3.24Å; W458-E462 PolarHBondContact O-N 3.06Å
459V91.2Very high95Very high45 Ų4557.3 Ų57.327%0.27332%0.321SS..Hα-helixtrans-64.4-42-178.8177.40000110.4V92 N457 A463V92-V459 HydrophobicContact CB-CG1 4.21Å; V92-V459 HydrophobicContact CG1-CG1 3.84Å; N457-V459 VanDerWaalsContact C-N 3.33Å; N457-V459 PolarHBondContact O-N 3.44Å; N457-V459 PolarHBondContact OD1-N 2.74Å; V459-A463 VanDerWaalsContact O-CB 3.26Å; V459-A463 WeakPolarHBondContact O-CB 3.47Å; V459-A463 PolarHBondContact O-N 3.2Å
460R93.3Very high94.9Very high50 Ų5052.3 Ų52.319%0.18930%0.297CS..Hα-helixtrans-71.4-40.2177.8-69.2178.658.880.13.5112.3V92 N457 W458 A463 G464 L465 E466V92-R460 WeakPolarHBondContact O-CG 3.43Å; N457-R460 HydrophobicContact CB-CB 4.13Å; N457-R460 HydrophobicContact CB-CG 4.32Å; N457-R460 VanDerWaalsContact ND2-CD 3.26Å; N457-R460 WeakPolarHBondContact ND2-CD 3.35Å; N457-R460 PolarHBondContact O-N 3.33Å; N457-R460 PolarHBondContact OD1-N 2.71Å; W458-R460 VanDerWaalsContact C-N 3.33Å; W458-R460 PolarHBondContact O-N 3.23Å; R460-A463 CarbonylContact O-C 3.5Å; R460-A463 PolarHBondContact O-N 3.19Å; R460-G464 PolarHBondContact O-N 3.28Å; R460-L465 HydrophobicContact CB-CB 4.24Å; R460-L465 PolarHBondContact NH2-O 3.36Å; R460-L465 PolarHBondContact O-N 2.86Å; R460-E466 HydrophobicContact CB-CG 3.91Å; R460-E466 WeakPolarHBondContact CB-OE1 3.37Å; R460-E466 VanDerWaalsContact CD-OE1 3.32Å; R460-E466 WeakPolarHBondContact CD-OE1 3.34Å; R460-E466 IonicContact CZ-OE1 3.36Å; R460-E466 IonicContact NE-OE1 2.77Å; R460-E466 PolarHBondContact NE-OE1 3.24Å; R460-E466 IonicContact NH2-OE1 2.71Å
461L96Very high94.7Very high2 Ų256 Ų561%0.0132%0.317CS..Hα-helixtrans-61.4-48.1176.1-176.463.2000110.7F295 A298 E299 L302 I456 N457 W458 A463 G464 E466F295-L461 HydrophobicContact CE2-CD1 3.83Å; F295-L461 HydrophobicContact CZ-CD1 3.78Å; A298-L461 HydrophobicContact CB-CD2 3.53Å; E299-L461 HydrophobicContact CG-CD1 3.94Å; E299-L461 HydrophobicContact CG-CD2 4.26Å; E299-L461 HydrophobicContact CG-CG 4.38Å; L302-L461 HydrophobicContact CD1-CB 4.42Å; L302-L461 HydrophobicContact CD1-CD2 3.91Å; L302-L461 HydrophobicContact CD1-CG 3.94Å; I456-L461 HydrophobicContact CG2-CD2 3.99Å; N457-L461 WeakPolarHBondContact O-CB 3.4Å; N457-L461 PolarHBondContact O-N 3.02Å; W458-L461 HydrophobicContact CE3-CD2 4.42Å; W458-L461 HydrophobicContact CZ3-CD2 4.45Å; W458-L461 PolarHBondContact O-N 2.75Å; L461-A463 VanDerWaalsContact C-N 3.28Å; L461-A463 PolarHBondContact O-N 2.85Å; L461-G464 PolarHBondContact O-N 2.88Å; L461-E466 HydrophobicContact CB-CG 4.19Å; L461-E466 HydrophobicContact CD1-CB 4.09Å; L461-E466 HydrophobicContact CD1-CG 4.47Å
462E94.9Very high94.5Very high101 Ų10151.1 Ų51.147%0.47229%0.292SS..Hα-helixtrans-60.1-38.9175.7-173.3168.3-151.400111.9R248 L302 W458 G464R248-E462 PolarHBondContact NH1-O 3.38Å; L302-E462 HydrophobicContact CD1-CB 4.19Å; W458-E462 VanDerWaalsContact O-CB 3.3Å; W458-E462 WeakPolarHBondContact O-CB 3.24Å; W458-E462 PolarHBondContact O-N 3.06Å; E462-G464 PolarHBondContact O-N 2.99Å
463A91.7Very high94.2Very high38 Ų3854 Ų5431%0.31431%0.307SS..Hα-helixtrans-71.3-1317400000114.1R248 V459 R460 L461 L465R248-A463 PolarHBondContact NH1-O 2.79Å; R248-A463 PolarHBondContact NH2-O 3.18Å; V459-A463 VanDerWaalsContact O-CB 3.26Å; V459-A463 WeakPolarHBondContact O-CB 3.47Å; V459-A463 PolarHBondContact O-N 3.2Å; R460-A463 CarbonylContact O-C 3.5Å; R460-A463 PolarHBondContact O-N 3.19Å; L461-A463 VanDerWaalsContact C-N 3.28Å; L461-A463 PolarHBondContact O-N 2.85Å; A463-L465 HydrophobicContact CB-CD1 3.82Å; A463-L465 HydrophobicContact CB-CG 3.86Å
464G94.2Very high93.7Very high29 Ų2957 Ų5730%0.29933%0.327SS..THydrogen-bonded Turntrans74.633.8-179.700000112.2R460 L461 E462R460-G464 PolarHBondContact O-N 3.28Å; L461-G464 PolarHBondContact O-N 2.88Å; E462-G464 PolarHBondContact O-N 2.99Å
465L93.9Very high93.4Very high81 Ų8156.9 Ų56.942%0.42432%0.315SS..  trans-105.54.5-178.1-60.8175.8000112.8V92 R460 A463V92-L465 HydrophobicContact CB-CD1 4.28Å; V92-L465 HydrophobicContact CG2-CD1 4.02Å; R460-L465 HydrophobicContact CB-CB 4.24Å; R460-L465 PolarHBondContact NH2-O 3.36Å; R460-L465 PolarHBondContact O-N 2.86Å; A463-L465 HydrophobicContact CB-CD1 3.82Å; A463-L465 HydrophobicContact CB-CG 3.86Å
466E94.7Very high93.3Very high58 Ų5853.3 Ų53.327%0.27129%0.292SS..SBendtrans-104.1126.2176.1-66-61.814500109F295 H329 R460 L461F295-E466 HydrophobicContact CE2-CB 4.04Å; H329-E466 PolarHBondContact CE1-O 2.56Å; R460-E466 HydrophobicContact CB-CG 3.91Å; R460-E466 WeakPolarHBondContact CB-OE1 3.37Å; R460-E466 VanDerWaalsContact CD-OE1 3.32Å; R460-E466 WeakPolarHBondContact CD-OE1 3.34Å; R460-E466 IonicContact CZ-OE1 3.36Å; R460-E466 IonicContact NE-OE1 2.77Å; R460-E466 PolarHBondContact NE-OE1 3.24Å; R460-E466 IonicContact NH2-OE1 2.71Å; L461-E466 HydrophobicContact CB-CG 4.19Å; L461-E466 HydrophobicContact CD1-CB 4.09Å; L461-E466 HydrophobicContact CD1-CG 4.47Å
467D95.2Very high93Very high144 Ų14453.4 Ų53.477%0.7729%0.293SS*.  trans-72.2136.3178.5-66.9-43.5000111
468A96.9Very high92.9Very high21 Ų2152.2 Ų52.217%0.17429%0.286CS..  trans-66.7140.117600000111.3F295 Q327 F470F295-A468 HydrophobicContact CE1-CB 3.96Å; F295-A468 HydrophobicContact CZ-CB 4.23Å; Q327-A468 WeakPolarHBondContact O-CB 3.5Å; A468-F470 PolarHBondContact O-N 2.97Å; A468-F470 VanDerWaalsContact O-N 3.08Å
469P95.8Very high92.5Very high55 Ų5551.6 Ų51.636%0.35729%0.288SS..SBendtrans-73-2.3-178.429-35.3000113.9R292 F295R292-P469 HydrophobicContact CB-CG 4.12Å; R292-P469 HydrophobicContact CG-CG 4.16Å; F295-P469 HydrophobicContact CB-CG 3.76Å; F295-P469 VanDerWaalsContact CD1-CD 3.45Å; F295-P469 HydrophobicContact CD1-CG 4.19Å; F295-P469 VanDerWaalsContact CG-CD 3.41Å; F295-P469 HydrophobicContact CG-CG 3.92Å
470F94.6Very high92.2Very high36 Ų3653.9 Ų53.916%0.15830%0.295CS..  trans-146.7126.5177.1168.7-92.5000109.5H278 M282 R292 G328 A468 P472H278-F470 AromaticContact CE1-CE1 3.37Å; H278-F470 WeakPolarHBondContact CE1-CE1 3.16Å; H278-F470 AromaticContact CE1-CZ 3.67Å; H278-F470 AromaticContact ND1-CE1 3.77Å; H278-F470 AromaticContact ND1-CZ 3.98Å; M282-F470 HydrophobicContact CE-CE2 3.58Å; M282-F470 HydrophobicContact CE-CZ 3.62Å; M282-F470 HydrophobicContact SD-CE2 4.02Å; M282-F470 HydrophobicContact SD-CZ 3.75Å; R292-F470 VanDerWaalsContact CZ-CG 3.41Å; G328-F470 VanDerWaalsContact CA-O 3.27Å; G328-F470 WeakPolarHBondContact CA-O 3.38Å; A468-F470 PolarHBondContact O-N 2.97Å; A468-F470 VanDerWaalsContact O-N 3.08Å; F470-P472 HydrophobicContact CD1-CG 4.4Å; F470-P472 HydrophobicContact CE1-CB 4.22Å; F470-P472 HydrophobicContact CE1-CG 3.87Å
471L94.7Very high91.8Very high111 Ų11154 Ų5458%0.58130%0.299SS*.  trans-105.7121.9175-168.968.2000109.6D326D326-L471 VanDerWaalsContact O-CD1 3.23Å; D326-L471 WeakPolarHBondContact O-CD1 3.41Å
472P93.1Very high91.2Very high5 Ų555 Ų553%0.03231%0.305CS..  trans-62.1148.7174-20.832.1000112.2I324 D325 F470 P474 Y478I324-P472 HydrophobicContact CG2-CG 3.75Å; D325-P472 WeakPolarHBondContact O-CG 3.48Å; F470-P472 HydrophobicContact CD1-CG 4.4Å; F470-P472 HydrophobicContact CE1-CB 4.22Å; F470-P472 HydrophobicContact CE1-CG 3.87Å; P472-P474 WeakPolarHBondContact O-CD 3.43Å; P472-Y478 HydrophobicContact CB-CD2 4.42Å; P472-Y478 HydrophobicContact CB-CE2 3.65Å
473D91.5Very high90.7Very high63 Ų6354.1 Ų54.134%0.33730%0.303SS..  trans-69.5120.1174.9-178.8-15000109.5H475 A476 Y478D473-H475 PolarHBondContact O-N 2.81Å; D473-H475 VanDerWaalsContact O-N 3.11Å; D473-H475 WeakPolarHBondContact OD1-CA 3.48Å; D473-H475 WeakPolarHBondContact OD1-CB 3.22Å; D473-H475 IonicContact OD1-CG 3.68Å; D473-H475 PolarHBondContact OD1-N 3.4Å; D473-A476 HydrophobicContact CB-CB 3.84Å; D473-A476 PolarHBondContact O-N 3.47Å; D473-A476 VanDerWaalsContact O-N 3.09Å; D473-Y478 PolarHBondContact N-OH 3.25Å
474P88.2Confident90.3Very high68 Ų6856.5 Ų56.544%0.44231%0.31SS..THydrogen-bonded Turntrans-63.2-18.8-179.425.6-34.5000113.2K16 P472K16-P474 PolarHBondContact NZ-O 3.45Å; P472-P474 WeakPolarHBondContact O-CD 3.43Å
475H89.5Confident89.7Confident98 Ų9856.1 Ų56.145%0.45430%0.301SS..THydrogen-bonded Turntrans-95.2-8.6-180-52.6-15.8000112.9I13 R17 D473I13-H475 WeakPolarHBondContact CD1-O 3.33Å; R17-H475 PolarHBondContact NE-CE1 2.84Å; R17-H475 PolarHBondContact NE-ND1 3.38Å; R17-H475 PolarHBondContact NH2-CE1 3.32Å; R17-H475 VanDerWaalsContact NH2-CG 3.27Å; R17-H475 PolarHBondContact NH2-ND1 3.26Å; R17-H475 PolarHBondContact NH2-NE2 3.08Å; D473-H475 PolarHBondContact O-N 2.81Å; D473-H475 VanDerWaalsContact O-N 3.11Å; D473-H475 WeakPolarHBondContact OD1-CA 3.48Å; D473-H475 WeakPolarHBondContact OD1-CB 3.22Å; D473-H475 IonicContact OD1-CG 3.68Å; D473-H475 PolarHBondContact OD1-N 3.4Å
476A89.2Confident89.1Confident5 Ų557.6 Ų57.64%0.04131%0.306CS..  trans-87.1150.8174.500000111.5D473 Y478D473-A476 HydrophobicContact CB-CB 3.84Å; D473-A476 PolarHBondContact O-N 3.47Å; D473-A476 VanDerWaalsContact O-N 3.09Å; A476-Y478 HydrophobicContact CB-CD2 4.24Å; A476-Y478 HydrophobicContact CB-CE2 3.66Å
477V89.3Confident88.4Confident31 Ų3163.4 Ų63.419%0.18833%0.333CS..  trans-112.7107.2168.1-174.10000108.2N9 Y12 I13 A479N9-V477 HydrophobicContact CB-CG2 4.44Å; Y12-V477 HydrophobicContact CD1-CG1 4.35Å; Y12-V477 HydrophobicContact CD1-CG2 4.18Å; Y12-V477 HydrophobicContact CE1-CG1 4.42Å; I13-V477 HydrophobicContact CD1-CG2 4.03Å; I13-V477 HydrophobicContact CG1-CG2 3.87Å; V477-A479 HydrophobicContact CG1-CB 4.18Å; V477-A479 PolarHBondContact O-N 2.84Å
478Y88.6Confident87.5Confident19 Ų1959.1 Ų59.18%0.07531%0.308CS..  trans-83.355.2-179.2-63.2-87000111.5N271 G272 G273 F277 M282 P472 D473 A476N271-Y478 WeakPolarHBondContact O-CD2 3.41Å; G272-Y478 VanDerWaalsContact C-CB 3.49Å; G272-Y478 WeakPolarHBondContact O-CB 3.45Å; G273-Y478 WeakPolarHBondContact CA-O 3.27Å; F277-Y478 HydrophobicContact CD1-CD1 4.08Å; F277-Y478 AromaticContact CE1-CD1 3.67Å; F277-Y478 HydrophobicContact CE1-CD1 3.67Å; F277-Y478 HydrophobicContact CE1-CE1 4.28Å; M282-Y478 HydrophobicContact SD-CE1 4.37Å; P472-Y478 HydrophobicContact CB-CD2 4.42Å; P472-Y478 HydrophobicContact CB-CE2 3.65Å; D473-Y478 PolarHBondContact N-OH 3.25Å; A476-Y478 HydrophobicContact CB-CD2 4.24Å; A476-Y478 HydrophobicContact CB-CE2 3.66Å
479A85.4Confident86.9Confident23 Ų2362.5 Ų62.519%0.1933%0.33CS..SBendtrans-144.7156.5177.400000110.1V477V477-A479 HydrophobicContact CG1-CB 4.18Å; V477-A479 PolarHBondContact O-N 2.84Å
480K84.7Confident86.4Confident94 Ų9465.4 Ų65.441%0.40935%0.347SS..  trans-58.8156.2174.6-66.7-175.9176.5-175.20111.4R194 D484 I485R194-K480 PolarHBondContact NH2-O 2.92Å; K480-D484 HydrophobicContact CB-CB 4.41Å; K480-I485 HydrophobicContact CB-CG1 4.23Å
481D85.2Confident86Confident51 Ų5164.8 Ų64.827%0.27335%0.345SS..  trans-59.4142.8170.5-76.8-10.2000109.8N5 L483 D484 I485N5-D481 PolarHBondContact ND2-OD1 3.4Å; N5-D481 WeakPolarHBondContact OD1-CA 3.09Å; D481-L483 PolarHBondContact O-N 2.97Å; D481-D484 WeakPolarHBondContact O-CB 3.46Å; D481-D484 PolarHBondContact O-N 3.28Å; D481-I485 PolarHBondContact O-N 2.81Å
482V84Confident85.7Confident25 Ų2568.1 Ų68.115%0.15236%0.355CS..G310 helixtrans-54.8-33.7-172.2174.30000112.1N5 A8 I485N5-V482 PolarHBondContact OD1-N 3.08Å; A8-V482 HydrophobicContact CB-CG2 4.26Å; V482-I485 WeakPolarHBondContact O-CB 3.43Å; V482-I485 PolarHBondContact O-N 3.23Å
483L83.5Confident85.7Confident81 Ų8172 Ų7242%0.42440%0.395SS..G310 helixtrans-77.3-24.8-179.1-60.3161.3000113.4E2 D481 I485E2-L483 HydrophobicContact CB-CD1 3.66Å; E2-L483 VanDerWaalsContact CD-CD1 3.42Å; E2-L483 HydrophobicContact CG-CD1 3.87Å; E2-L483 WeakPolarHBondContact OE2-CD1 3.43Å; D481-L483 PolarHBondContact O-N 2.97Å; L483-I485 PolarHBondContact O-N 3.43Å
484D85.1Confident85.7Confident88 Ų8870.3 Ų70.347%0.47139%0.387SS..G310 helixtrans-80.2-8.6175.2-64.5-23.6000111.7K480 D481 E486K480-D484 HydrophobicContact CB-CB 4.41Å; D481-D484 WeakPolarHBondContact O-CB 3.46Å; D481-D484 PolarHBondContact O-N 3.28Å; D484-E486 PolarHBondContact O-N 3Å
485I81.3Confident86Confident21 Ų2172.6 Ų72.611%0.10840%0.401CS..SBendtrans-80.7102.8173.2-55.4177.8000107.5V195 K198 K480 D481 V482 L483 Q487V195-I485 HydrophobicContact CB-CD1 4.07Å; V195-I485 HydrophobicContact CG1-CD1 3.72Å; V195-I485 HydrophobicContact CG1-CG2 4.23Å; K198-I485 HydrophobicContact CB-CG2 4Å; K480-I485 HydrophobicContact CB-CG1 4.23Å; D481-I485 PolarHBondContact O-N 2.81Å; V482-I485 WeakPolarHBondContact O-CB 3.43Å; V482-I485 PolarHBondContact O-N 3.23Å; L483-I485 PolarHBondContact O-N 3.43Å; I485-Q487 PolarHBondContact O-N 3.48Å
486E80.7Confident86.3Confident112 Ų11270.3 Ų70.352%0.52339%0.391SS..PPolyproline II helixtrans-48.5123.2-179.4-69-179.2176.700112.4K198 D484K198-E486 HydrophobicContact CD-CB 4.17Å; K198-E486 WeakPolarHBondContact CD-O 3.48Å; K198-E486 WeakPolarHBondContact CE-O 3.47Å; K198-E486 PolarHBondContact NZ-O 2.9Å; K198-E486 IonicContact NZ-OE2 3.19Å; K198-E486 PolarHBondContact NZ-OE2 2.83Å; D484-E486 PolarHBondContact O-N 3Å
487Q80.6Confident86.6Confident181 Ų18173.4 Ų73.485%0.84641%0.407SS*.PPolyproline II helixtrans-74.9152.2173.9-66.4-172.2-0.500111.8I485I485-Q487 PolarHBondContact O-N 3.48Å
488F76Confident86.9Confident54 Ų5478.3 Ų78.324%0.23743%0.432CS..PPolyproline II helixtrans-84.8143.9171.6-80.4-68.6000111.4K198 G199 G202 R225K198-F488 HydrophobicContact CD-CE2 3.99Å; K198-F488 HydrophobicContact CD-CZ 4.08Å; K198-F488 VanDerWaalsContact CE-CE1 3.42Å; K198-F488 HydrophobicContact CG-CD2 4.34Å; K198-F488 HydrophobicContact CG-CE2 3.55Å; K198-F488 HydrophobicContact CG-CZ 3.92Å; G199-F488 VanDerWaalsContact O-CZ 3.23Å; G199-F488 WeakPolarHBondContact O-CZ 3.35Å; G202-F488 WeakPolarHBondContact O-CE2 3.36Å; R225-F488 VanDerWaalsContact CZ-CD1 3.48Å
489S83.8Confident87.2Confident91 Ų9185.4 Ų85.464%0.63646%0.463SS*.PPolyproline II helixtrans-65.1137.8167.657.30000110.9R225 I491R225-S489 PolarHBondContact NH2-O 3.49Å; S489-I491 PolarHBondContact O-N 3.22Å
490T84.9Confident87.7Confident116 Ų11684.8 Ų84.871%0.71246%0.457SS*.PPolyproline II helixtrans-62.9132.1177.553.60000111.1K492T490-K492 PolarHBondContact O-N 3.37Å
491I87.2Confident88.2Confident24 Ų2484.5 Ų84.512%0.12346%0.458CS..PPolyproline II helixtrans-81.3116.2176.4-58.2-56.5000110.2K224 R225 K228 S489 V494K224-I491 HydrophobicContact CB-CB 4.08Å; K224-I491 HydrophobicContact CB-CG2 4.02Å; R225-I491 HydrophobicContact CB-CG1 4.15Å; K228-I491 HydrophobicContact CD-CD1 3.91Å; K228-I491 HydrophobicContact CD-CG2 4.06Å; S489-I491 PolarHBondContact O-N 3.22Å; I491-V494 HydrophobicContact CG2-CB 4.04Å; I491-V494 HydrophobicContact CG2-CG2 3.55Å
492K88.8Confident88.7Confident181 Ų18188.9 Ų88.979%0.78748%0.477SS*.PPolyproline II helixtrans-102.9157172-62.5-176.3-179.9-179.40110.5T490 V494T490-K492 PolarHBondContact O-N 3.37Å; K492-V494 VanDerWaalsContact C-N 3.33Å; K492-V494 PolarHBondContact O-N 3.26Å
493G91.7Very high89.2Confident85 Ų8589.4 Ų89.488%0.87648%0.477SS*.SBendtrans76.311.3173.800000116
494V92.9Very high89.8Confident28 Ų2885.5 Ų85.517%0.1746%0.457CS..  trans-111.8119175.9179.50000109.3K224 K227 K228 I491 K492K224-V494 HydrophobicContact CB-CB 4.39Å; K224-V494 HydrophobicContact CB-CG1 4.34Å; K224-V494 HydrophobicContact CG-CB 4.49Å; K224-V494 HydrophobicContact CG-CG1 4.43Å; K227-V494 HydrophobicContact CB-CG1 4.12Å; K227-V494 HydrophobicContact CD-CG1 3.87Å; K227-V494 HydrophobicContact CG-CG1 4.07Å; K228-V494 HydrophobicContact CB-CG2 4.22Å; I491-V494 HydrophobicContact CG2-CB 4.04Å; I491-V494 HydrophobicContact CG2-CG2 3.55Å; K492-V494 VanDerWaalsContact C-N 3.33Å; K492-V494 PolarHBondContact O-N 3.26Å
495T94.2Very high90.3Very high117 Ų11789.4 Ų89.472%0.71847%0.47SS*.  trans-102.9139.5172.750.20000109.9K227K227-T495 PolarHBondContact NZ-O 3.39Å
496L95.1Very high90.9Very high49 Ų4995.1 Ų95.126%0.25749%0.494SS..  trans-89.9140.2174.8-55178.6000108.8K223 K227 D500 M501 Y504K223-L496 HydrophobicContact CB-CD1 3.92Å; K223-L496 HydrophobicContact CB-CD2 4.43Å; K223-L496 HydrophobicContact CD-CD1 4.07Å; K227-L496 HydrophobicContact CB-CD2 4.48Å; K227-L496 HydrophobicContact CD-CD2 3.91Å; L496-D500 WeakPolarHBondContact CA-OD2 3.49Å; L496-D500 HydrophobicContact CB-CB 4.47Å; L496-M501 HydrophobicContact CB-CE 3.78Å; L496-M501 HydrophobicContact CD1-CE 4.33Å; L496-Y504 HydrophobicContact CD1-CE2 4.13Å; L496-Y504 WeakPolarHBondContact CD2-OH 3.37Å
497D95.4Very high91.6Very high71 Ų7189.8 Ų89.838%0.3847%0.469SS..  trans-120.7-178.4-177.96350.2000111.5K227 K499 D500 M501K227-D497 IonicContact NZ-OD2 3.68Å; K227-D497 PolarHBondContact NZ-OD2 3.06Å; D497-K499 VanDerWaalsContact C-N 3.3Å; D497-K499 PolarHBondContact O-N 2.88Å; D497-K499 WeakPolarHBondContact OD1-CB 3.1Å; D497-K499 PolarHBondContact OD1-N 3.31Å; D497-D500 PolarHBondContact N-OD2 3Å; D497-D500 WeakPolarHBondContact O-CB 3.17Å; D497-D500 PolarHBondContact O-N 3Å; D497-D500 PolarHBondContact OD1-N 3.05Å; D497-M501 WeakPolarHBondContact O-CG 3.28Å; D497-M501 PolarHBondContact O-N 3.19Å
498N96.1Very high92.4Very high134 Ų13482.8 Ų82.872%0.71744%0.439SS*.Hα-helixtrans-64.9-31-176-69.2-13.1000113.5D500 M501 E502N498-D500 VanDerWaalsContact C-N 3.28Å; N498-D500 PolarHBondContact O-N 3.47Å; N498-M501 PolarHBondContact O-N 2.85Å; N498-E502 PolarHBondContact O-N 3.11Å
499K95.1Very high93.2Very high167 Ų16783 Ų8373%0.72645%0.448SS*.Hα-helixtrans-66.5-37.3177-65.1-177.9177.1-179.80110.4D497 M501 E502 F503D497-K499 VanDerWaalsContact C-N 3.3Å; D497-K499 PolarHBondContact O-N 2.88Å; D497-K499 WeakPolarHBondContact OD1-CB 3.1Å; D497-K499 PolarHBondContact OD1-N 3.31Å; K499-M501 VanDerWaalsContact C-N 3.33Å; K499-E502 PolarHBondContact O-N 3.31Å; K499-F503 PolarHBondContact O-N 3.03Å; K499-F503 VanDerWaalsContact O-N 3.07Å
500D95.4Very high93.9Very high11 Ų1179.3 Ų79.36%0.05942%0.424CS..Hα-helixtrans-61.9-43173.1-56.9-49.2000111.3K227 L496 D497 N498 E502 F503 Y504K227-D500 WeakPolarHBondContact CD-OD2 3.4Å; K227-D500 WeakPolarHBondContact CE-OD2 3.39Å; K227-D500 IonicContact NZ-OD1 2.67Å; K227-D500 IonicContact NZ-OD2 2.94Å; K227-D500 PolarHBondContact NZ-OD2 3.04Å; L496-D500 WeakPolarHBondContact CA-OD2 3.49Å; L496-D500 HydrophobicContact CB-CB 4.47Å; D497-D500 PolarHBondContact N-OD2 3Å; D497-D500 WeakPolarHBondContact O-CB 3.17Å; D497-D500 PolarHBondContact O-N 3Å; D497-D500 PolarHBondContact OD1-N 3.05Å; N498-D500 VanDerWaalsContact C-N 3.28Å; N498-D500 PolarHBondContact O-N 3.47Å; D500-E502 PolarHBondContact O-N 3.19Å; D500-F503 WeakPolarHBondContact O-CB 3.29Å; D500-F503 PolarHBondContact O-N 3Å; D500-Y504 HydrophobicContact CB-CE1 4.43Å; D500-Y504 HydrophobicContact CB-CE2 3.75Å; D500-Y504 VanDerWaalsContact O-CD1 3.31Å; D500-Y504 WeakPolarHBondContact O-CD1 3.43Å; D500-Y504 WeakPolarHBondContact O-CD2 3.42Å; D500-Y504 PolarHBondContact O-N 3.24Å
501M95.6Very high94.5Very high88 Ų8874.6 Ų74.643%0.43340%0.397SS..Hα-helixtrans-65.1-39.4-179.8-60.3-57.1157.800112.4L496 D497 N498 K499 Y504 K505L496-M501 HydrophobicContact CB-CE 3.78Å; L496-M501 HydrophobicContact CD1-CE 4.33Å; D497-M501 WeakPolarHBondContact O-CG 3.28Å; D497-M501 PolarHBondContact O-N 3.19Å; N498-M501 PolarHBondContact O-N 2.85Å; K499-M501 VanDerWaalsContact C-N 3.33Å; M501-Y504 HydrophobicContact CE-CE2 4.36Å; M501-Y504 PolarHBondContact O-N 2.95Å; M501-Y504 HydrophobicContact SD-CD2 3.84Å; M501-Y504 HydrophobicContact SD-CE2 4.16Å; M501-K505 WeakPolarHBondContact O-CB 3.49Å; M501-K505 PolarHBondContact O-N 3.1Å
502E95.5Very high94.9Very high143 Ų14374.6 Ų74.667%0.66840%0.398SS*.Hα-helixtrans-62.1-43.9173-73.3179.9173.500111.7N498 K499 D500 Y504 K505 K506N498-E502 PolarHBondContact O-N 3.11Å; K499-E502 PolarHBondContact O-N 3.31Å; D500-E502 PolarHBondContact O-N 3.19Å; E502-Y504 PolarHBondContact O-N 3.19Å; E502-K505 PolarHBondContact O-N 3Å; E502-K506 PolarHBondContact O-N 3.38Å
503F95.2Very high95.3Very high35 Ų3567.7 Ų67.715%0.15437%0.372CS..Hα-helixtrans-59.5-46174.2172.7-97.5000111.4M226 E232 M236 L263 K499 D500 K505 K506 F507M226-F503 HydrophobicContact CE-CD1 4.43Å; M226-F503 HydrophobicContact CE-CE1 3.83Å; M226-F503 HydrophobicContact SD-CE1 4.24Å; E232-F503 HydrophobicContact CB-CD1 4.28Å; E232-F503 HydrophobicContact CB-CD2 4.24Å; E232-F503 HydrophobicContact CB-CE1 3.92Å; E232-F503 HydrophobicContact CB-CE2 3.83Å; E232-F503 HydrophobicContact CB-CG 4.46Å; E232-F503 HydrophobicContact CB-CZ 3.7Å; E232-F503 HydrophobicContact CG-CD1 4.27Å; E232-F503 HydrophobicContact CG-CE1 4.18Å; E232-F503 HydrophobicContact CG-CZ 4.46Å; E232-F503 WeakPolarHBondContact O-CE2 3.29Å; E232-F503 WeakPolarHBondContact O-CZ 3.47Å; M236-F503 HydrophobicContact CB-CE2 3.89Å; M236-F503 HydrophobicContact CB-CZ 4.16Å; M236-F503 HydrophobicContact CG-CE2 4.43Å; L263-F503 HydrophobicContact CD1-CE1 3.77Å; K499-F503 PolarHBondContact O-N 3.03Å; K499-F503 VanDerWaalsContact O-N 3.07Å; D500-F503 WeakPolarHBondContact O-CB 3.29Å; D500-F503 PolarHBondContact O-N 3Å; F503-K505 VanDerWaalsContact C-N 3.34Å; F503-K505 PolarHBondContact O-N 3.2Å; F503-K506 PolarHBondContact O-N 2.73Å; F503-F507 HydrophobicContact CZ-CD2 4.35Å; F503-F507 WeakPolarHBondContact O-CB 3.41Å; F503-F507 PolarHBondContact O-N 2.84Å
504Y95.6Very high95.5Very high0 Ų065.2 Ų65.20%034%0.339CS..Hα-helixtrans-63-39.6178.9-56.4-25.7000112.3K223 M226 E258 L263 L496 D500 M501 E502 K506 F507 C508K223-Y504 HydrophobicContact CB-CE2 4.49Å; K223-Y504 HydrophobicContact CD-CD2 4.05Å; K223-Y504 HydrophobicContact CD-CE1 4.46Å; K223-Y504 HydrophobicContact CD-CE2 3.59Å; K223-Y504 HydrophobicContact CG-CE1 4.07Å; K223-Y504 HydrophobicContact CG-CE2 4.01Å; M226-Y504 HydrophobicContact CE-CE1 3.7Å; E258-Y504 WeakPolarHBondContact OE2-CB 3.44Å; L263-Y504 HydrophobicContact CD1-CD1 3.87Å; L263-Y504 HydrophobicContact CD1-CE1 4.24Å; L263-Y504 HydrophobicContact CD2-CD1 3.72Å; L263-Y504 HydrophobicContact CD2-CG 4.02Å; L263-Y504 HydrophobicContact CG-CD1 4.06Å; L263-Y504 HydrophobicContact CG-CE1 4.46Å; L496-Y504 HydrophobicContact CD1-CE2 4.13Å; L496-Y504 WeakPolarHBondContact CD2-OH 3.37Å; D500-Y504 HydrophobicContact CB-CE1 4.43Å; D500-Y504 HydrophobicContact CB-CE2 3.75Å; D500-Y504 VanDerWaalsContact O-CD1 3.31Å; D500-Y504 WeakPolarHBondContact O-CD1 3.43Å; D500-Y504 WeakPolarHBondContact O-CD2 3.42Å; D500-Y504 PolarHBondContact O-N 3.24Å; M501-Y504 HydrophobicContact CE-CE2 4.36Å; M501-Y504 PolarHBondContact O-N 2.95Å; M501-Y504 HydrophobicContact SD-CD2 3.84Å; M501-Y504 HydrophobicContact SD-CE2 4.16Å; E502-Y504 PolarHBondContact O-N 3.19Å; Y504-K506 VanDerWaalsContact C-N 3.35Å; Y504-K506 PolarHBondContact O-N 3.43Å; Y504-F507 WeakPolarHBondContact O-CB 3.5Å; Y504-F507 PolarHBondContact O-N 3.29Å; Y504-C508 WeakPolarHBondContact O-CB 3.46Å; Y504-C508 PolarHBondContact O-N 3.42Å; Y504-C508 PolarHBondContact O-SG 3.41Å
505K94.3Very high95.7Very high170 Ų17064.7 Ų64.774%0.73934%0.336SS*.Hα-helixtrans-62.5-40.7175.3-169.3177.3-178.8179.40111.9M501 E502 F503M501-K505 WeakPolarHBondContact O-CB 3.49Å; M501-K505 PolarHBondContact O-N 3.1Å; E502-K505 PolarHBondContact O-N 3Å; F503-K505 VanDerWaalsContact C-N 3.34Å; F503-K505 PolarHBondContact O-N 3.2Å
506K95.1Very high95.8Very high140 Ų14059.6 Ų59.661%0.60930%0.304SS*.Hα-helixtrans-67.6-37.8174.3-174.8-179.9176.7-174.20112M236 K239 E502 F503 Y504M236-K506 HydrophobicContact CE-CG 4.42Å; K239-K506 PolarHBondContact NZ-O 3.19Å; E502-K506 PolarHBondContact O-N 3.38Å; F503-K506 PolarHBondContact O-N 2.73Å; Y504-K506 VanDerWaalsContact C-N 3.35Å; Y504-K506 PolarHBondContact O-N 3.43Å
507F95.9Very high96Very high0 Ų057.3 Ų57.30%029%0.292CS..Hα-helixtrans-65.7-39.7178-174.3-84.6000112M221 A235 M236 K239 L263 L265 F503 Y504 S509M221-F507 HydrophobicContact CE-CE1 4.31Å; M221-F507 HydrophobicContact CE-CE2 4.05Å; M221-F507 HydrophobicContact CE-CZ 3.48Å; M221-F507 VanDerWaalsContact CE-CZ 3.48Å; A235-F507 HydrophobicContact CB-CE2 4.36Å; M236-F507 HydrophobicContact SD-CB 4.4Å; M236-F507 HydrophobicContact SD-CD2 4.02Å; K239-F507 HydrophobicContact CB-CD2 4.47Å; K239-F507 HydrophobicContact CB-CE2 3.86Å; K239-F507 HydrophobicContact CB-CZ 4.31Å; K239-F507 HydrophobicContact CD-CD2 4.04Å; K239-F507 HydrophobicContact CD-CE2 4.13Å; K239-F507 HydrophobicContact CD-CG 4.34Å; K239-F507 HydrophobicContact CD-CZ 4.48Å; K239-F507 WeakPolarHBondContact CD-O 3.16Å; K239-F507 VanDerWaalsContact CE-O 3.25Å; K239-F507 WeakPolarHBondContact CE-O 3.23Å; K239-F507 HydrophobicContact CG-CE2 4.39Å; K239-F507 PolarHBondContact NZ-O 2.91Å; L263-F507 HydrophobicContact CB-CD1 4.08Å; L263-F507 HydrophobicContact CB-CE1 3.83Å; L263-F507 HydrophobicContact CB-CZ 4.28Å; L263-F507 HydrophobicContact CD1-CB 4.24Å; L263-F507 HydrophobicContact CD1-CD1 3.89Å; L263-F507 HydrophobicContact CD1-CD2 3.99Å; L263-F507 HydrophobicContact CD1-CE1 4.23Å; L263-F507 HydrophobicContact CD1-CE2 4.31Å; L263-F507 HydrophobicContact CD1-CG 3.76Å; L263-F507 HydrophobicContact CD1-CZ 4.42Å; L263-F507 HydrophobicContact CD2-CD1 3.96Å; L263-F507 HydrophobicContact CD2-CG 4.4Å; L263-F507 HydrophobicContact CG-CD1 4.2Å; L263-F507 HydrophobicContact CG-CE1 4.44Å; L265-F507 HydrophobicContact CD2-CE1 3.99Å; L265-F507 HydrophobicContact CD2-CE2 4.38Å; L265-F507 HydrophobicContact CD2-CZ 3.45Å; L265-F507 VanDerWaalsContact CD2-CZ 3.45Å; L265-F507 HydrophobicContact CG-CZ 3.95Å; F503-F507 HydrophobicContact CZ-CD2 4.35Å; F503-F507 WeakPolarHBondContact O-CB 3.41Å; F503-F507 PolarHBondContact O-N 2.84Å; Y504-F507 WeakPolarHBondContact O-CB 3.5Å; Y504-F507 PolarHBondContact O-N 3.29Å; F507-S509 PolarHBondContact O-N 3.14Å; F507-S509 VanDerWaalsContact O-N 3.08Å
508C95.7Very high96Very high34 Ų3456.5 Ų56.523%0.2329%0.287CS..  trans-85.980.3-174.5-60.20000112.5E258 Y504 G510E258-C508 VanDerWaalsContact CB-SG 3.56Å; E258-C508 PolarHBondContact N-SG 3.08Å; E258-C508 VanDerWaalsContact N-SG 3.36Å; Y504-C508 WeakPolarHBondContact O-CB 3.46Å; Y504-C508 PolarHBondContact O-N 3.42Å; Y504-C508 PolarHBondContact O-SG 3.41Å; C508-G510 VanDerWaalsContact C-N 3.3Å; C508-G510 PolarHBondContact O-N 3.43Å
509S94.5Very high96.1Very high60 Ų6050.1 Ų50.142%0.4225%0.253SS..  trans-83.92176.349.70000114.4K239 Q243 T256 F507K239-S509 VanDerWaalsContact CE-OG 3.24Å; K239-S509 WeakPolarHBondContact CE-OG 3.39Å; K239-S509 PolarHBondContact NZ-OG 3.17Å; Q243-S509 PolarHBondContact NE2-OG 3.4Å; T256-S509 PolarHBondContact OG1-N 3.45Å; T256-S509 PolarHBondContact OG1-OG 3.13Å; T256-S509 VanDerWaalsContact OG1-OG 3.1Å; F507-S509 PolarHBondContact O-N 3.14Å; F507-S509 VanDerWaalsContact O-N 3.08Å
510G97Very high96.2Very high13 Ų1342.2 Ų42.213%0.13422%0.219CC..EExtended strand (participates in β ladder)trans76.5-141.2-179.800000112.5Y255 T256 C508Y255-G510 CarbonylContact C-O 3.58Å; Y255-G510 WeakPolarHBondContact CA-O 3.43Å; T256-G510 PolarHBondContact N-O 3.27Å; T256-G510 VanDerWaalsContact O-CA 3.28Å; T256-G510 WeakPolarHBondContact O-CA 3.39Å; T256-G510 PolarHBondContact O-N 2.67Å; T256-G510 VanDerWaalsContact O-N 3.16Å; T256-G510 PolarHBondContact OG1-N 3.03Å; T256-G510 VanDerWaalsContact OG1-N 3.16Å; T256-G510 PolarHBondContact OG1-O 2.81Å; C508-G510 VanDerWaalsContact C-N 3.3Å; C508-G510 PolarHBondContact O-N 3.43Å
511A97.6Very high96.3Very high16 Ų1643.8 Ų43.813%0.13223%0.227CC..EExtended strand (participates in β ladder)trans-70.6144.217900000111.9E181 V185 A254 Y255 W516E181-A511 HydrophobicContact CG-CB 4.4Å; V185-A511 HydrophobicContact CG2-CB 4.5Å; A254-A511 CarbonylContact O-C 3.56Å; A254-A511 WeakPolarHBondContact O-CA 3.43Å; Y255-A511 HydrophobicContact CD1-CB 3.81Å; Y255-A511 HydrophobicContact CE1-CB 3.86Å; A511-W516 HydrophobicContact CB-CB 4.16Å; A511-W516 HydrophobicContact CB-CG 3.96Å
512V96.8Very high96.2Very high24 Ų2445.9 Ų45.915%0.14524%0.235CC..  trans-94.6125.2171.1-1760000108.1L253 A254 I514 P515 W516L253-V512 HydrophobicContact CD2-CG2 4.14Å; L253-V512 HydrophobicContact CG-CG2 3.92Å; L253-V512 VanDerWaalsContact O-CB 3.23Å; L253-V512 WeakPolarHBondContact O-CB 3.43Å; L253-V512 VanDerWaalsContact O-CG2 3.31Å; L253-V512 WeakPolarHBondContact O-CG2 3.4Å; A254-V512 PolarHBondContact O-N 3.39Å; V512-I514 PolarHBondContact O-N 2.94Å; V512-P515 HydrophobicContact CG1-CG 4.33Å; V512-P515 WeakPolarHBondContact O-CD 3.49Å; V512-W516 VanDerWaalsContact O-CB 3.23Å; V512-W516 WeakPolarHBondContact O-CB 3.47Å; V512-W516 PolarHBondContact O-N 3.37Å
513S96.1Very high96.1Very high36 Ų3640.1 Ų40.125%0.25221%0.21SC..Hα-helixtrans-53.8-55.4-163.8-48.70000114.7E181 W516 Q517E181-S513 PolarHBondContact OE1-OG 3.26Å; E181-S513 WeakPolarHBondContact OE2-CA 3.32Å; E181-S513 WeakPolarHBondContact OE2-CB 3.48Å; S513-W516 PolarHBondContact O-N 3.46Å; S513-Q517 WeakPolarHBondContact O-CB 3.37Å; S513-Q517 VanDerWaalsContact O-CG 3.23Å; S513-Q517 WeakPolarHBondContact O-CG 3.46Å; S513-Q517 PolarHBondContact O-N 3.01Å
514I96.3Very high96Very high33 Ų3338.9 Ų38.917%0.16921%0.208CC..Hα-helixtrans-66-51.4-172.9-62.6172.8000111.2P61 V512 W516 Q517 N518P61-I514 HydrophobicContact CG-CG2 4.01Å; V512-I514 PolarHBondContact O-N 2.94Å; I514-W516 VanDerWaalsContact C-N 3.33Å; I514-W516 PolarHBondContact O-N 3.24Å; I514-Q517 PolarHBondContact O-N 2.91Å; I514-N518 PolarHBondContact O-N 3.34Å; I514-N518 PolarHBondContact O-ND2 3.34Å
515P96.4Very high96Very high17 Ų1738.9 Ų38.911%0.1121%0.208CC..Hα-helixtrans-63.4-34.7177.8-27.139.4000114N252 L253 A254 V512 E519N252-P515 HydrophobicContact CB-CG 4.24Å; L253-P515 WeakPolarHBondContact O-CG 3.45Å; A254-P515 HydrophobicContact CB-CB 3.96Å; V512-P515 HydrophobicContact CG1-CG 4.33Å; V512-P515 WeakPolarHBondContact O-CD 3.49Å; P515-E519 WeakPolarHBondContact O-CB 3.48Å; P515-E519 PolarHBondContact O-N 3.01Å
516W97.6Very high96.2Very high11 Ų1130.9 Ų30.94%0.04217%0.173CC..Hα-helixtrans-65.1-43.5175.7-175.790.8000112I62 W177 L180 E181 Y255 A511 V512 S513 I514 E519 M520I62-W516 HydrophobicContact CD1-CZ3 4.11Å; W177-W516 AromaticContact CE3-CH2 3.74Å; W177-W516 HydrophobicContact CE3-CH2 3.74Å; W177-W516 AromaticContact CE3-CZ3 3.97Å; W177-W516 HydrophobicContact CE3-CZ3 3.97Å; W177-W516 HydrophobicContact CZ3-CH2 4.07Å; L180-W516 HydrophobicContact CB-CH2 3.87Å; L180-W516 HydrophobicContact CB-CZ2 4.16Å; E181-W516 HydrophobicContact CB-CD2 4.05Å; E181-W516 HydrophobicContact CB-CE3 3.76Å; E181-W516 HydrophobicContact CB-CH2 4.12Å; E181-W516 HydrophobicContact CB-CZ2 4.38Å; E181-W516 HydrophobicContact CB-CZ3 3.8Å; E181-W516 HydrophobicContact CG-CB 4.48Å; E181-W516 HydrophobicContact CG-CD2 3.88Å; E181-W516 HydrophobicContact CG-CE3 3.77Å; E181-W516 HydrophobicContact CG-CG 4.19Å; E181-W516 HydrophobicContact CG-CZ3 4.33Å; Y255-W516 AromaticContact CE1-CD1 3.51Å; Y255-W516 AromaticContact CZ-CD1 3.64Å; A511-W516 HydrophobicContact CB-CB 4.16Å; A511-W516 HydrophobicContact CB-CG 3.96Å; V512-W516 VanDerWaalsContact O-CB 3.23Å; V512-W516 WeakPolarHBondContact O-CB 3.47Å; V512-W516 PolarHBondContact O-N 3.37Å; S513-W516 PolarHBondContact O-N 3.46Å; I514-W516 VanDerWaalsContact C-N 3.33Å; I514-W516 PolarHBondContact O-N 3.24Å; W516-E519 WeakPolarHBondContact O-CB 3.31Å; W516-E519 PolarHBondContact O-N 3.48Å; W516-M520 HydrophobicContact CD2-CE 4.12Å; W516-M520 HydrophobicContact CD2-CG 4.19Å; W516-M520 HydrophobicContact CE3-CG 3.95Å; W516-M520 HydrophobicContact CG-CE 4.49Å; W516-M520 HydrophobicContact CH2-CE 4.49Å; W516-M520 HydrophobicContact CH2-CG 3.75Å; W516-M520 HydrophobicContact CH2-SD 4.2Å; W516-M520 HydrophobicContact CZ2-CE 3.8Å; W516-M520 HydrophobicContact CZ2-CG 3.99Å; W516-M520 HydrophobicContact CZ2-SD 3.98Å; W516-M520 HydrophobicContact CZ3-CG 3.72Å; W516-M520 WeakPolarHBondContact O-CG 3.45Å; W516-M520 PolarHBondContact O-N 3.3Å; W516-M520 VanDerWaalsContact O-N 3.07Å
517Q98.3Very high96.2Very high1 Ų128.7 Ų28.71%0.00517%0.168CC..Hα-helixtrans-65.9-42.6177.4-73.7178.839.100111.8P61 I62 E181 S513 I514 E519 M520 L521P61-Q517 HydrophobicContact CB-CB 4.07Å; P61-Q517 VanDerWaalsContact CD-OE1 3.32Å; P61-Q517 HydrophobicContact CG-CB 4.08Å; P61-Q517 VanDerWaalsContact N-OE1 3.16Å; I62-Q517 HydrophobicContact CB-CB 4.34Å; I62-Q517 HydrophobicContact CB-CG 4.09Å; I62-Q517 HydrophobicContact CD1-CB 4.06Å; I62-Q517 HydrophobicContact CD1-CG 3.83Å; I62-Q517 HydrophobicContact CG1-CB 3.85Å; I62-Q517 HydrophobicContact CG1-CG 3.93Å; E181-Q517 PolarHBondContact OE2-NE2 3.42Å; S513-Q517 WeakPolarHBondContact O-CB 3.37Å; S513-Q517 VanDerWaalsContact O-CG 3.23Å; S513-Q517 WeakPolarHBondContact O-CG 3.46Å; S513-Q517 PolarHBondContact O-N 3.01Å; I514-Q517 PolarHBondContact O-N 2.91Å; Q517-E519 VanDerWaalsContact C-N 3.3Å; Q517-E519 PolarHBondContact O-N 2.58Å; Q517-M520 PolarHBondContact O-N 3.45Å; Q517-L521 WeakPolarHBondContact O-CG 3.4Å; Q517-L521 PolarHBondContact O-N 2.83Å; Q517-L521 VanDerWaalsContact O-N 3.08Å
518N96.7Very high96.1Very high54 Ų5431.6 Ų31.629%0.28918%0.183SC..Hα-helixtrans-59.4-40.6172.6-77.2-26.1000111.7P61 I514 M520 L521 E522P61-N518 VanDerWaalsContact CB-OD1 3.29Å; P61-N518 WeakPolarHBondContact CB-OD1 3.33Å; P61-N518 WeakPolarHBondContact CG-OD1 3.42Å; I514-N518 PolarHBondContact O-N 3.34Å; I514-N518 PolarHBondContact O-ND2 3.34Å; N518-M520 PolarHBondContact O-N 2.89Å; N518-L521 PolarHBondContact O-N 3.32Å; N518-E522 VanDerWaalsContact O-CB 3.31Å; N518-E522 WeakPolarHBondContact O-CB 3.11Å; N518-E522 WeakPolarHBondContact O-CG 3.29Å; N518-E522 PolarHBondContact O-N 3.16Å
519E96.7Very high96.1Very high0 Ų031.1 Ų31.10%018%0.178CC..Hα-helixtrans-58-46.6172.9170.4-179.6167.800113V209 T212 K214 Y216 Y255 P515 W516 Q517 L521 T523V209-E519 WeakPolarHBondContact CB-OE1 3.26Å; V209-E519 VanDerWaalsContact CG1-OE1 3.32Å; V209-E519 WeakPolarHBondContact CG1-OE1 3.46Å; V209-E519 WeakPolarHBondContact CG2-OE1 3.31Å; T212-E519 VanDerWaalsContact CB-OE1 3.29Å; T212-E519 WeakPolarHBondContact CB-OE1 3.11Å; T212-E519 HydrophobicContact CG2-CG 3.98Å; T212-E519 WeakPolarHBondContact CG2-OE1 3.29Å; T212-E519 PolarHBondContact OG1-OE1 3.39Å; K214-E519 HydrophobicContact CB-CG 3.92Å; K214-E519 HydrophobicContact CD-CB 3.69Å; K214-E519 HydrophobicContact CD-CG 3.52Å; K214-E519 HydrophobicContact CG-CG 4.34Å; Y216-E519 VanDerWaalsContact CE2-OE2 3.26Å; Y216-E519 WeakPolarHBondContact CE2-OE2 3.15Å; Y216-E519 WeakPolarHBondContact OH-CB 3.26Å; Y216-E519 PolarHBondContact OH-OE2 2.91Å; Y255-E519 WeakPolarHBondContact CE2-OE2 3.21Å; Y255-E519 PolarHBondContact OH-OE1 3.02Å; Y255-E519 PolarHBondContact OH-OE2 2.64Å; P515-E519 WeakPolarHBondContact O-CB 3.48Å; P515-E519 PolarHBondContact O-N 3.01Å; W516-E519 WeakPolarHBondContact O-CB 3.31Å; W516-E519 PolarHBondContact O-N 3.48Å; Q517-E519 VanDerWaalsContact C-N 3.3Å; Q517-E519 PolarHBondContact O-N 2.58Å; E519-L521 VanDerWaalsContact C-N 3.26Å; E519-L521 PolarHBondContact O-N 2.97Å; E519-T523 HydrophobicContact CG-CG2 4.29Å; E519-T523 WeakPolarHBondContact O-CB 3.32Å; E519-T523 VanDerWaalsContact O-CG2 3.25Å; E519-T523 WeakPolarHBondContact O-CG2 3.47Å; E519-T523 PolarHBondContact O-N 3.14Å; E519-T523 PolarHBondContact O-OG1 3.23Å
520M98Very high96.2Very high1 Ų129 Ų291%0.00516%0.162CC..Hα-helixtrans-61.9-37.7179-63.4-55.7123.300111.9L34 I62 W177 T212 W516 Q517 N518 C525 F526L34-M520 HydrophobicContact CD1-SD 4.04Å; I62-M520 HydrophobicContact CD1-CB 4.02Å; I62-M520 HydrophobicContact CD1-CG 4.33Å; W177-M520 HydrophobicContact CE3-CG 4.43Å; W177-M520 HydrophobicContact CH2-CB 4.49Å; W177-M520 HydrophobicContact CZ3-CB 4.11Å; W177-M520 HydrophobicContact CZ3-CG 3.82Å; W177-M520 HydrophobicContact CZ3-SD 4.17Å; T212-M520 HydrophobicContact CG2-CE 3.33Å; T212-M520 HydrophobicContact CG2-SD 3.82Å; W516-M520 HydrophobicContact CD2-CE 4.12Å; W516-M520 HydrophobicContact CD2-CG 4.19Å; W516-M520 HydrophobicContact CE3-CG 3.95Å; W516-M520 HydrophobicContact CG-CE 4.49Å; W516-M520 HydrophobicContact CH2-CE 4.49Å; W516-M520 HydrophobicContact CH2-CG 3.75Å; W516-M520 HydrophobicContact CH2-SD 4.2Å; W516-M520 HydrophobicContact CZ2-CE 3.8Å; W516-M520 HydrophobicContact CZ2-CG 3.99Å; W516-M520 HydrophobicContact CZ2-SD 3.98Å; W516-M520 HydrophobicContact CZ3-CG 3.72Å; W516-M520 WeakPolarHBondContact O-CG 3.45Å; W516-M520 PolarHBondContact O-N 3.3Å; W516-M520 VanDerWaalsContact O-N 3.07Å; Q517-M520 PolarHBondContact O-N 3.45Å; N518-M520 PolarHBondContact O-N 2.89Å; M520-C525 PolarHBondContact O-N 2.85Å; M520-C525 HydrophobicContact SD-CB 4.14Å; M520-F526 PolarHBondContact O-N 3.41Å
521L96.7Very high96.1Very high44 Ų4434.2 Ų34.223%0.2318%0.183CC..Hα-helixtrans-70.4-56.2177.5-67168.7000111.5P61 I62 R65 Q517 N518 E519 T523 G524 F526P61-L521 HydrophobicContact CB-CD1 3.52Å; I62-L521 HydrophobicContact CG1-CD1 4.42Å; I62-L521 HydrophobicContact CG1-CD2 4.38Å; I62-L521 HydrophobicContact CG1-CG 4.21Å; R65-L521 HydrophobicContact CB-CD2 4.31Å; R65-L521 HydrophobicContact CG-CD2 4.11Å; Q517-L521 WeakPolarHBondContact O-CG 3.4Å; Q517-L521 PolarHBondContact O-N 2.83Å; Q517-L521 VanDerWaalsContact O-N 3.08Å; N518-L521 PolarHBondContact O-N 3.32Å; E519-L521 VanDerWaalsContact C-N 3.26Å; E519-L521 PolarHBondContact O-N 2.97Å; L521-T523 VanDerWaalsContact C-N 3.28Å; L521-T523 PolarHBondContact O-N 3.25Å; L521-G524 WeakPolarHBondContact O-CA 3.45Å; L521-G524 PolarHBondContact O-N 3.1Å; L521-F526 HydrophobicContact CD2-CB 3.81Å; L521-F526 HydrophobicContact CD2-CD1 3.81Å; L521-F526 HydrophobicContact CD2-CD2 4.19Å; L521-F526 HydrophobicContact CD2-CE1 4.46Å; L521-F526 HydrophobicContact CD2-CG 3.65Å
522E93.5Very high96Very high131 Ų13134.4 Ų34.461%0.61218%0.181SC*.Hα-helixtrans-60.7-36.1-176.4-71.8166.8-154.600112.7K214 N518 G524K214-E522 WeakPolarHBondContact CE-OE2 3.31Å; K214-E522 IonicContact NZ-OE1 2.69Å; K214-E522 IonicContact NZ-OE2 3.62Å; K214-E522 PolarHBondContact NZ-OE2 3.45Å; N518-E522 VanDerWaalsContact O-CB 3.31Å; N518-E522 WeakPolarHBondContact O-CB 3.11Å; N518-E522 WeakPolarHBondContact O-CG 3.29Å; N518-E522 PolarHBondContact O-N 3.16Å; E522-G524 PolarHBondContact O-N 3.45Å
523T93.5Very high95.9Very high22 Ų2238.9 Ų38.914%0.13520%0.196CC..THydrogen-bonded Turntrans-78.7-9.3178.260.10000112.3R26 K214 E519 L521 C525R26-T523 PolarHBondContact NH2-O 3.08Å; K214-T523 HydrophobicContact CB-CG2 3.77Å; K214-T523 HydrophobicContact CD-CG2 4.37Å; K214-T523 HydrophobicContact CG-CG2 4.46Å; E519-T523 HydrophobicContact CG-CG2 4.29Å; E519-T523 WeakPolarHBondContact O-CB 3.32Å; E519-T523 VanDerWaalsContact O-CG2 3.25Å; E519-T523 WeakPolarHBondContact O-CG2 3.47Å; E519-T523 PolarHBondContact O-N 3.14Å; E519-T523 PolarHBondContact O-OG1 3.23Å; L521-T523 VanDerWaalsContact C-N 3.28Å; L521-T523 PolarHBondContact O-N 3.25Å; T523-C525 PolarHBondContact O-N 3.01Å; T523-C525 PolarHBondContact OG1-SG 2.91Å
524G94.1Very high95.8Very high10 Ų1040.8 Ų40.810%0.10320%0.2CC..THydrogen-bonded Turntrans73.210-173.200000114.1R26 L521 E522 F526 D527 D528R26-G524 VanDerWaalsContact NH2-C 3.26Å; R26-G524 PolarHBondContact NH2-O 3.14Å; L521-G524 WeakPolarHBondContact O-CA 3.45Å; L521-G524 PolarHBondContact O-N 3.1Å; E522-G524 PolarHBondContact O-N 3.45Å; G524-F526 PolarHBondContact O-N 3.31Å; G524-D527 PolarHBondContact O-N 3.13Å; G524-D528 WeakPolarHBondContact O-CB 3.36Å; G524-D528 PolarHBondContact O-N 3.14Å; G524-D528 VanDerWaalsContact O-N 3.13Å; G524-D528 VanDerWaalsContact O-OD2 3.09Å
525C95.8Very high95.7Very high0 Ų045.8 Ų45.80%024%0.238CC..Hα-helixtrans-63.8-32.7175.3-67.80000111.3R26 W30 L34 M520 T523 L529R26-C525 VanDerWaalsContact CZ-SG 3.58Å; R26-C525 PolarHBondContact NE-SG 3.21Å; W30-C525 HydrophobicContact CZ3-CB 4.44Å; L34-C525 HydrophobicContact CD1-CB 4.37Å; M520-C525 PolarHBondContact O-N 2.85Å; M520-C525 HydrophobicContact SD-CB 4.14Å; T523-C525 PolarHBondContact O-N 3.01Å; T523-C525 PolarHBondContact OG1-SG 2.91Å; C525-L529 WeakPolarHBondContact O-CB 3.34Å; C525-L529 WeakPolarHBondContact O-CG 2.91Å; C525-L529 PolarHBondContact O-N 3.02Å; C525-L529 VanDerWaalsContact O-N 3.17Å
526F97.6Very high95.5Very high1 Ų150.1 Ų50.10%0.00426%0.26CS..Hα-helixtrans-59.1-59.6173.9177.8-93.1000110.8I62 R65 L66 L69 W177 M520 L521 G524 D528 L529 N530I62-F526 HydrophobicContact CD1-CD2 4.2Å; I62-F526 HydrophobicContact CG1-CD2 4.07Å; I62-F526 HydrophobicContact CG1-CE2 4.45Å; I62-F526 HydrophobicContact CG2-CD2 4.23Å; I62-F526 HydrophobicContact CG2-CE2 3.87Å; R65-F526 HydrophobicContact CB-CE1 4.48Å; R65-F526 HydrophobicContact CB-CZ 4.28Å; R65-F526 HydrophobicContact CG-CD1 4.18Å; R65-F526 HydrophobicContact CG-CE1 3.44Å; R65-F526 VanDerWaalsContact CG-CE1 3.44Å; R65-F526 HydrophobicContact CG-CZ 3.64Å; L66-F526 HydrophobicContact CD2-CE2 4.15Å; L66-F526 HydrophobicContact CD2-CZ 3.92Å; L66-F526 HydrophobicContact CG-CE2 4.1Å; L66-F526 HydrophobicContact CG-CZ 4.08Å; L69-F526 HydrophobicContact CD1-CE1 4.33Å; L69-F526 HydrophobicContact CD1-CZ 4.22Å; W177-F526 HydrophobicContact CD2-CD2 4.43Å; W177-F526 AromaticContact CE2-CD2 3.6Å; W177-F526 AromaticContact CE2-CE2 3.98Å; W177-F526 HydrophobicContact CH2-CB 4.38Å; W177-F526 HydrophobicContact CH2-CD2 4.35Å; W177-F526 HydrophobicContact CZ2-CB 4.23Å; W177-F526 AromaticContact CZ2-CD2 3.56Å; W177-F526 HydrophobicContact CZ2-CD2 3.56Å; W177-F526 HydrophobicContact CZ2-CE2 4.3Å; W177-F526 HydrophobicContact CZ2-CG 4.21Å; W177-F526 AromaticContact NE1-CD2 3.71Å; W177-F526 AromaticContact NE1-CE2 3.58Å; M520-F526 PolarHBondContact O-N 3.41Å; L521-F526 HydrophobicContact CD2-CB 3.81Å; L521-F526 HydrophobicContact CD2-CD1 3.81Å; L521-F526 HydrophobicContact CD2-CD2 4.19Å; L521-F526 HydrophobicContact CD2-CE1 4.46Å; L521-F526 HydrophobicContact CD2-CG 3.65Å; G524-F526 PolarHBondContact O-N 3.31Å; F526-D528 VanDerWaalsContact C-N 3.28Å; F526-D528 PolarHBondContact O-N 3.32Å; F526-L529 PolarHBondContact O-N 3.46Å; F526-L529 VanDerWaalsContact O-N 3.16Å; F526-N530 HydrophobicContact CD1-CB 4.33Å; F526-N530 HydrophobicContact CD2-CB 4.35Å; F526-N530 HydrophobicContact CE1-CB 4.12Å; F526-N530 HydrophobicContact CE2-CB 4.13Å; F526-N530 HydrophobicContact CG-CB 4.44Å; F526-N530 HydrophobicContact CZ-CB 4.03Å; F526-N530 WeakPolarHBondContact CZ-ND2 3.46Å; F526-N530 WeakPolarHBondContact O-CB 3.43Å; F526-N530 PolarHBondContact O-N 3.45Å
527D95.4Very high95.3Very high94 Ų9452.1 Ų52.150%0.50328%0.284SS..Hα-helixtrans-61.4-38-176.2-60.3-49.3000112G524 L529G524-D527 PolarHBondContact O-N 3.13Å; D527-L529 VanDerWaalsContact C-N 3.33Å; D527-L529 PolarHBondContact O-N 3.46Å
528D94.3Very high95.1Very high61 Ų6155.1 Ų55.133%0.32630%0.302SS..Hα-helixtrans-71.9-20.1-179.7-65.7-29.6000114.4K24 R26 W30 G524 F526K24-D528 IonicContact NZ-OD2 2.98Å; R26-D528 IonicContact CZ-OD2 3.67Å; R26-D528 VanDerWaalsContact CZ-OD2 3.27Å; R26-D528 IonicContact NH1-OD2 2.66Å; R26-D528 PolarHBondContact NH1-OD2 2.92Å; R26-D528 IonicContact NH2-OD2 2.84Å; R26-D528 PolarHBondContact NH2-OD2 3.35Å; W30-D528 HydrophobicContact CH2-CB 3.65Å; W30-D528 HydrophobicContact CZ2-CB 4.27Å; G524-D528 WeakPolarHBondContact O-CB 3.36Å; G524-D528 PolarHBondContact O-N 3.14Å; G524-D528 VanDerWaalsContact O-N 3.13Å; G524-D528 VanDerWaalsContact O-OD2 3.09Å; F526-D528 VanDerWaalsContact C-N 3.28Å; F526-D528 PolarHBondContact O-N 3.32Å
529L95.9Very high95Very high24 Ų2454.3 Ų54.313%0.12630%0.298CS..Hα-helixtrans-108.8-22.3-179.7-69.5174.4000113W30 K31 L34 F36 R173 W177 C525 F526 D527 E531W30-L529 HydrophobicContact CH2-CD2 4Å; W30-L529 HydrophobicContact CH2-CG 3.96Å; W30-L529 HydrophobicContact CZ3-CD1 3.76Å; W30-L529 HydrophobicContact CZ3-CD2 3.85Å; W30-L529 HydrophobicContact CZ3-CG 3.65Å; K31-L529 HydrophobicContact CG-CD2 4.36Å; L34-L529 HydrophobicContact CB-CD1 3.69Å; L34-L529 HydrophobicContact CD1-CD1 4.19Å; F36-L529 HydrophobicContact CE2-CB 4.11Å; F36-L529 WeakPolarHBondContact CE2-O 3.27Å; F36-L529 HydrophobicContact CZ-CB 4.34Å; R173-L529 PolarHBondContact NH1-O 2.97Å; W177-L529 HydrophobicContact CH2-CB 4.29Å; W177-L529 HydrophobicContact CH2-CD1 4.14Å; W177-L529 HydrophobicContact CZ2-CB 4.27Å; C525-L529 WeakPolarHBondContact O-CB 3.34Å; C525-L529 WeakPolarHBondContact O-CG 2.91Å; C525-L529 PolarHBondContact O-N 3.02Å; C525-L529 VanDerWaalsContact O-N 3.17Å; F526-L529 PolarHBondContact O-N 3.46Å; F526-L529 VanDerWaalsContact O-N 3.16Å; D527-L529 VanDerWaalsContact C-N 3.33Å; D527-L529 PolarHBondContact O-N 3.46Å; L529-E531 PolarHBondContact O-N 2.69Å
530N96.2Very high95Very high16 Ų1655.1 Ų55.19%0.08630%0.303CS..  trans-80.650.9-165.1-162.859.4000114.2R173 W177 F526 F532R173-N530 VanDerWaalsContact CD-OD1 3.31Å; R173-N530 WeakPolarHBondContact CD-OD1 3.37Å; R173-N530 WeakPolarHBondContact CG-OD1 3.26Å; R173-N530 VanDerWaalsContact NH1-C 3.27Å; R173-N530 VanDerWaalsContact NH1-CA 3.3Å; R173-N530 PolarHBondContact NH1-OD1 2.69Å; W177-N530 HydrophobicContact CZ2-CB 4.49Å; W177-N530 PolarHBondContact NE1-OD1 3.15Å; W177-N530 VanDerWaalsContact NE1-OD1 3.14Å; F526-N530 HydrophobicContact CD1-CB 4.33Å; F526-N530 HydrophobicContact CD2-CB 4.35Å; F526-N530 HydrophobicContact CE1-CB 4.12Å; F526-N530 HydrophobicContact CE2-CB 4.13Å; F526-N530 HydrophobicContact CG-CB 4.44Å; F526-N530 HydrophobicContact CZ-CB 4.03Å; F526-N530 WeakPolarHBondContact CZ-ND2 3.46Å; F526-N530 WeakPolarHBondContact O-CB 3.43Å; F526-N530 PolarHBondContact O-N 3.45Å; N530-F532 WeakPolarHBondContact ND2-CE2 3.3Å
531E94.6Very high94.8Very high122 Ų12259.3 Ų59.357%0.5733%0.325SS*.  trans-87.5134.8178.2-64.8177.8-179.900111.9R173 L529R173-E531 PolarHBondContact NH1-O 3.03Å; R173-E531 PolarHBondContact NH2-O 3.13Å; L529-E531 PolarHBondContact O-N 2.69Å
532F95.8Very high94.7Very high20 Ų2059.4 Ų59.49%0.08833%0.326CS..  trans-104.7-40-178.6-73.9-92.7000113.7L66 V169 Y170 R173 N530 L539 V540 L543L66-F532 HydrophobicContact CD2-CE2 4.48Å; L66-F532 HydrophobicContact CD2-CZ 3.89Å; V169-F532 HydrophobicContact CB-CD1 4.41Å; V169-F532 HydrophobicContact CG2-CD1 4.04Å; V169-F532 HydrophobicContact CG2-CE1 4.34Å; Y170-F532 AromaticContact CD1-CE1 3.87Å; Y170-F532 HydrophobicContact CD1-CE1 3.87Å; Y170-F532 HydrophobicContact CD1-CE2 4.03Å; Y170-F532 AromaticContact CD1-CZ 3.47Å; Y170-F532 HydrophobicContact CD1-CZ 3.47Å; Y170-F532 VanDerWaalsContact CD1-CZ 3.47Å; Y170-F532 HydrophobicContact CE1-CE1 4.34Å; Y170-F532 HydrophobicContact CE1-CE2 4.08Å; Y170-F532 AromaticContact CE1-CZ 3.95Å; Y170-F532 HydrophobicContact CE1-CZ 3.95Å; Y170-F532 HydrophobicContact CG-CE1 4.28Å; Y170-F532 HydrophobicContact CG-CZ 4.26Å; R173-F532 HydrophobicContact CB-CE1 3.53Å; R173-F532 HydrophobicContact CB-CZ 3.74Å; R173-F532 HydrophobicContact CG-CE1 3.97Å; R173-F532 HydrophobicContact CG-CZ 3.73Å; N530-F532 WeakPolarHBondContact ND2-CE2 3.3Å; F532-L539 WeakPolarHBondContact O-CA 3.33Å; F532-L539 WeakPolarHBondContact O-CD2 3.38Å; F532-V540 PolarHBondContact O-N 2.93Å; F532-L543 HydrophobicContact CD1-CD1 3.76Å; F532-L543 HydrophobicContact CE1-CD1 4.25Å; F532-L543 HydrophobicContact CG-CD1 4.45Å
533Y94.8Very high94.8Very high119 Ų11953.2 Ų53.247%0.46730%0.297SS..BIsolated β-bridgetrans-123.5145.7-171.3-55-81.6000110.2G537 T538 L539Y533-G537 WeakPolarHBondContact CD1-O 3.36Å; Y533-T538 CarbonylContact C-O 3.59Å; Y533-T538 VanDerWaalsContact CA-O 3.23Å; Y533-T538 WeakPolarHBondContact CA-O 3.32Å; Y533-L539 HydrophobicContact CD1-CD2 3.86Å; Y533-L539 HydrophobicContact CD1-CG 4.48Å; Y533-L539 HydrophobicContact CE1-CD2 3.56Å; Y533-L539 HydrophobicContact CE1-CG 4.31Å
534K93.9Very high94.8Very high76 Ų7653.7 Ų53.733%0.3330%0.299SS..  trans-75.6172.8167.6-59.3178.9-168.91700109.7D536 G537 T538 L539 V540 D541K534-D536 WeakPolarHBondContact CB-OD1 3.29Å; K534-D536 PolarHBondContact O-N 3.23Å; K534-D536 VanDerWaalsContact O-N 3.13Å; K534-G537 PolarHBondContact O-N 3.32Å; K534-T538 PolarHBondContact N-O 3.11Å; K534-L539 WeakPolarHBondContact CE-O 3.36Å; K534-V540 HydrophobicContact CG-CG1 4.25Å; K534-D541 VanDerWaalsContact CE-OD1 3.31Å; K534-D541 WeakPolarHBondContact CE-OD1 3.39Å; K534-D541 IonicContact NZ-OD1 2.66Å; K534-D541 PolarHBondContact NZ-OD1 3.35Å; K534-D541 IonicContact NZ-OD2 2.77Å
535S93.4Very high94.6Very high138 Ų13857 Ų5797%0.96532%0.318SS*.THydrogen-bonded Turntrans-60.3-21.5178.253.50000114.4G537S535-G537 VanDerWaalsContact C-N 3.35Å
536D93.4Very high94.2Very high108 Ų10863.7 Ų63.758%0.57835%0.354SS*.THydrogen-bonded Turntrans-88.92.3177.563.98.4000113.7K534 T538K534-D536 WeakPolarHBondContact CB-OD1 3.29Å; K534-D536 PolarHBondContact O-N 3.23Å; K534-D536 VanDerWaalsContact O-N 3.13Å; D536-T538 VanDerWaalsContact C-N 3.29Å; D536-T538 PolarHBondContact O-N 2.88Å; D536-T538 WeakPolarHBondContact OD1-CB 3.25Å; D536-T538 WeakPolarHBondContact OD1-CG2 3.39Å; D536-T538 PolarHBondContact OD1-N 3.35Å; D536-T538 PolarHBondContact OD1-OG1 2.59Å; D536-T538 PolarHBondContact OD2-OG1 3.34Å
537G92.5Very high93.7Very high52 Ų5266.2 Ų66.254%0.53637%0.37SS..SBendtrans83.4-4.2-178.400000114.8Y533 K534 S535Y533-G537 WeakPolarHBondContact CD1-O 3.36Å; K534-G537 PolarHBondContact O-N 3.32Å; S535-G537 VanDerWaalsContact C-N 3.35Å
538T93.8Very high92.8Very high65 Ų6565.7 Ų65.740%0.39937%0.371SS..PPolyproline II helixtrans-77.2155.7173.8670000111.3Y533 K534 D536Y533-T538 CarbonylContact C-O 3.59Å; Y533-T538 VanDerWaalsContact CA-O 3.23Å; Y533-T538 WeakPolarHBondContact CA-O 3.32Å; K534-T538 PolarHBondContact N-O 3.11Å; D536-T538 VanDerWaalsContact C-N 3.29Å; D536-T538 PolarHBondContact O-N 2.88Å; D536-T538 WeakPolarHBondContact OD1-CB 3.25Å; D536-T538 WeakPolarHBondContact OD1-CG2 3.39Å; D536-T538 PolarHBondContact OD1-N 3.35Å; D536-T538 PolarHBondContact OD1-OG1 2.59Å; D536-T538 PolarHBondContact OD2-OG1 3.34Å
539L95.3Very high91.9Very high37 Ų3766.2 Ų66.219%0.19438%0.378CS..BIsolated β-bridgetrans-63146.1176.3-74173.1000111.4V169 F532 Y533 K534 N544V169-L539 HydrophobicContact CG1-CD1 4.22Å; V169-L539 HydrophobicContact CG1-CD2 4.16Å; F532-L539 WeakPolarHBondContact O-CA 3.33Å; F532-L539 WeakPolarHBondContact O-CD2 3.38Å; Y533-L539 HydrophobicContact CD1-CD2 3.86Å; Y533-L539 HydrophobicContact CD1-CG 4.48Å; Y533-L539 HydrophobicContact CE1-CD2 3.56Å; Y533-L539 HydrophobicContact CE1-CG 4.31Å; K534-L539 WeakPolarHBondContact CE-O 3.36Å; L539-N544 HydrophobicContact CB-CB 3.95Å
540V95.9Very high90.6Very high16 Ų1672.4 Ų72.410%0.09741%0.41CS..PPolyproline II helixtrans-60.4145.3169.7-63.60000110.5F532 K534 N542 L543 N544F532-V540 PolarHBondContact O-N 2.93Å; K534-V540 HydrophobicContact CG-CG1 4.25Å; V540-N542 PolarHBondContact O-N 3.03Å; V540-N542 VanDerWaalsContact O-N 3.08Å; V540-L543 HydrophobicContact CG2-CB 3.95Å; V540-L543 HydrophobicContact CG2-CD1 3.99Å; V540-L543 HydrophobicContact CG2-CG 4.18Å; V540-L543 PolarHBondContact O-N 3.17Å; V540-N544 PolarHBondContact O-N 2.84Å; V540-N544 VanDerWaalsContact O-N 3.1Å
541D94.3Very high88.6Confident90 Ų9079.7 Ų79.748%0.48144%0.443SS..THydrogen-bonded Turntrans-56.4-35.4-168.5-63-37.2000113.4H38 K534 L543 T547H38-D541 PolarHBondContact CD2-O 2.86Å; H38-D541 VanDerWaalsContact CD2-O 3.3Å; K534-D541 VanDerWaalsContact CE-OD1 3.31Å; K534-D541 WeakPolarHBondContact CE-OD1 3.39Å; K534-D541 IonicContact NZ-OD1 2.66Å; K534-D541 PolarHBondContact NZ-OD1 3.35Å; K534-D541 IonicContact NZ-OD2 2.77Å; D541-L543 PolarHBondContact O-N 2.95Å; D541-T547 PolarHBondContact O-OG1 2.99Å
542N95.2Very high86Confident45 Ų4581.5 Ų81.524%0.24145%0.452CS..THydrogen-bonded Turntrans-69.2-21.317966.654000113.6F36 H38 I39 R173 Q176 V540F36-N542 HydrophobicContact CB-CB 4.36Å; H38-N542 CarbonylContact C-O 3.59Å; H38-N542 WeakPolarHBondContact CA-O 3.43Å; I39-N542 PolarHBondContact N-O 3.39Å; R173-N542 PolarHBondContact NH2-OD1 2.92Å; Q176-N542 PolarHBondContact NE2-O 3.2Å; Q176-N542 PolarHBondContact NE2-OD1 3.22Å; V540-N542 PolarHBondContact O-N 3.03Å; V540-N542 VanDerWaalsContact O-N 3.08Å
543L95.9Very high82.9Confident2 Ų286 Ų861%0.0148%0.477CS..THydrogen-bonded Turntrans-101.2-18.2179.8-88.9177.1000113.2N172 R173 F532 V540 D541 P545N172-L543 HydrophobicContact CB-CD2 3.91Å; R173-L543 HydrophobicContact CB-CD1 4.42Å; R173-L543 HydrophobicContact CB-CD2 4.34Å; F532-L543 HydrophobicContact CD1-CD1 3.76Å; F532-L543 HydrophobicContact CE1-CD1 4.25Å; F532-L543 HydrophobicContact CG-CD1 4.45Å; V540-L543 HydrophobicContact CG2-CB 3.95Å; V540-L543 HydrophobicContact CG2-CD1 3.99Å; V540-L543 HydrophobicContact CG2-CG 4.18Å; V540-L543 PolarHBondContact O-N 3.17Å; D541-L543 PolarHBondContact O-N 2.95Å; L543-P545 VanDerWaalsContact O-CD 3.28Å; L543-P545 WeakPolarHBondContact O-CD 3.21Å
544N93.3Very high80Confident32 Ų3286 Ų8617%0.17149%0.494CS..  trans-81.9111.2-178.5179.37.6000110.8H38 L539 V540 D546 T547H38-N544 PolarHBondContact NE2-O 3.09Å; L539-N544 HydrophobicContact CB-CB 3.95Å; V540-N544 PolarHBondContact O-N 2.84Å; V540-N544 VanDerWaalsContact O-N 3.1Å; N544-D546 PolarHBondContact O-N 2.85Å; N544-D546 VanDerWaalsContact O-N 3.14Å; N544-D546 PolarHBondContact OD1-N 2.78Å; N544-D546 VanDerWaalsContact OD1-N 3.08Å; N544-T547 VanDerWaalsContact CB-OG1 3.3Å; N544-T547 WeakPolarHBondContact CB-OG1 3.46Å; N544-T547 PolarHBondContact ND2-OG1 3.44Å; N544-T547 PolarHBondContact O-N 3.35Å; N544-T547 PolarHBondContact O-OG1 3.31Å
545P88.7Confident76.9Confident78 Ų7890 Ų9051%0.50651%0.514SS..THydrogen-bonded Turntrans-60.6-25.4-178.7-20.133.3000113.9I39 L543 T547I39-P545 HydrophobicContact CG2-CG 4.32Å; L543-P545 VanDerWaalsContact O-CD 3.28Å; L543-P545 WeakPolarHBondContact O-CD 3.21Å; P545-T547 VanDerWaalsContact C-N 3.3Å; P545-T547 PolarHBondContact O-N 3.24Å
546D88.5Confident73.8Confident141 Ų14187.6 Ų87.675%0.75450%0.496SS*.THydrogen-bonded Turntrans-83.4-6.5-175-58.2-37.7000113.2N544 P548N544-D546 PolarHBondContact O-N 2.85Å; N544-D546 VanDerWaalsContact O-N 3.14Å; N544-D546 PolarHBondContact OD1-N 2.78Å; N544-D546 VanDerWaalsContact OD1-N 3.08Å; D546-P548 WeakPolarHBondContact O-CD 3.42Å
547T86.2Confident70.7Confident55 Ų5589.6 Ų89.634%0.33750%0.502SS..SBendtrans-114.965.4175.447.40000111.2H38 D541 N544 P545H38-T547 PolarHBondContact CD2-O 2.98Å; H38-T547 PolarHBondContact NE2-O 2.85Å; H38-T547 VanDerWaalsContact NE2-O 3.14Å; D541-T547 PolarHBondContact O-OG1 2.99Å; N544-T547 VanDerWaalsContact CB-OG1 3.3Å; N544-T547 WeakPolarHBondContact CB-OG1 3.46Å; N544-T547 PolarHBondContact ND2-OG1 3.44Å; N544-T547 PolarHBondContact O-N 3.35Å; N544-T547 PolarHBondContact O-OG1 3.31Å; P545-T547 VanDerWaalsContact C-N 3.3Å; P545-T547 PolarHBondContact O-N 3.24Å
548P76.7Confident67.6Low83 Ų8390.9 Ų90.954%0.53950%0.503SS..PPolyproline II helixtrans-59.4148.9179.626.1-33.7000110.6D546 I550D546-P548 WeakPolarHBondContact O-CD 3.42Å; P548-I550 PolarHBondContact O-N 2.68Å; P548-I550 VanDerWaalsContact O-N 3.13Å
549P75.6Confident64.7Low72 Ų7296.2 Ų96.247%0.46852%0.521SS..PPolyproline II helixtrans-59.3125.8-179.623.4-30.3000108H38 Q551H38-P549 HydrophobicContact CB-CG 3.95Å; H38-P549 VanDerWaalsContact CG-CD 3.49Å; P549-Q551 PolarHBondContact O-N 2.61Å
550I67.6Low61.7Low154 Ų154101.5 Ų101.579%0.7954%0.543SS*.PPolyproline II helixtrans-52.9116171.2-59.7171.4000105.3P548 Q552P548-I550 PolarHBondContact O-N 2.68Å; P548-I550 VanDerWaalsContact O-N 3.13Å; I550-Q552 PolarHBondContact O-N 3.34Å
551Q54.2Low58.6Low168 Ų168103 Ų10379%0.78555%0.554SS**  trans-56.6100.6170.5-79.4-179.33.600105.6P549 N553P549-Q551 PolarHBondContact O-N 2.61Å; Q551-N553 PolarHBondContact O-N 2.94Å
552Q40.6Very low55.5Low161 Ų161109.4 Ų109.475%0.75257%0.571SS**  trans-65.791.2161.8-75.3-170.9-4.100104.1I550 S554I550-Q552 PolarHBondContact O-N 3.34Å; Q552-S554 PolarHBondContact O-N 3.25Å; Q552-S554 VanDerWaalsContact O-N 3.17Å
553N31.2Very low52.5Low115 Ų115113.4 Ų113.462%0.61559%0.592SS**  trans-41.9128.4155.3-78.3-18.1000105.3Q551 H555 S556Q551-N553 PolarHBondContact O-N 2.94Å; N553-H555 PolarHBondContact O-N 2.89Å; N553-S556 PolarHBondContact O-N 3.43Å
554S32.8Very low49.4Very low117 Ų117122 Ų12282%0.81863%0.63SS**THydrogen-bonded Turntrans-58.923.317942.70000114.2Q552Q552-S554 PolarHBondContact O-N 3.25Å; Q552-S554 VanDerWaalsContact O-N 3.17Å
555H29.5Very low46.3Very low162 Ų162130.4 Ų130.475%0.7567%0.665SS**THydrogen-bonded Turntrans-117.912.9173.9-67.9-56.2000114N553 Q557N553-H555 PolarHBondContact O-N 2.89Å; H555-Q557 VanDerWaalsContact C-N 3.28Å; H555-Q557 PolarHBondContact O-N 2.99Å
556S27.6Very low43.4Very low86 Ų86137.8 Ų137.860%0.60168%0.683SS**  trans-6994.1165.4132.70000108.5N553 S558N553-S556 PolarHBondContact O-N 3.43Å; S556-S558 PolarHBondContact O-N 2.99Å; S556-S558 VanDerWaalsContact O-N 3.15Å
557Q29.1Very low40.5Very low151 Ų151140 Ų14071%0.70669%0.686SS**  trans-43.6118.7178.6-69.7-179.7-35.100110.5H555 F559 S561H555-Q557 VanDerWaalsContact C-N 3.28Å; H555-Q557 PolarHBondContact O-N 2.99Å; Q557-F559 PolarHBondContact O-N 2.94Å; Q557-S561 WeakPolarHBondContact CB-OG 3.14Å; Q557-S561 VanDerWaalsContact OE1-CB 3.31Å; Q557-S561 PolarHBondContact OE1-OG 3.08Å
558S27.9Very low37.7Very low78 Ų78147 Ų14755%0.54571%0.714SS.*  trans-26.5134.5153.6165.10000111.5S556 F560 S561S556-S558 PolarHBondContact O-N 2.99Å; S556-S558 VanDerWaalsContact O-N 3.15Å; S558-F560 PolarHBondContact O-N 3.06Å; S558-F560 WeakPolarHBondContact OG-CD2 3.36Å; S558-F560 PolarHBondContact OG-N 2.72Å; S558-S561 PolarHBondContact O-N 3.19Å; S558-S561 PolarHBondContact O-OG 3.17Å
559F32.8Very low35.3Very low178 Ų178154.6 Ų154.678%0.78173%0.732SS**G310 helixtrans-48.4-8.9176.2-168.7-102000114.3Q557Q557-F559 PolarHBondContact O-N 2.94Å
560F32.2Very low33.2Very low148 Ų148156.4 Ų156.465%0.64974%0.744SS**G310 helixtrans-76.8-9.5170.1-73.6-80.6000115.8S558 R562 L563S558-F560 PolarHBondContact O-N 3.06Å; S558-F560 WeakPolarHBondContact OG-CD2 3.36Å; S558-F560 PolarHBondContact OG-N 2.72Å; F560-R562 VanDerWaalsContact C-N 3.33Å; F560-R562 PolarHBondContact O-N 3.27Å; F560-L563 PolarHBondContact O-N 2.82Å
561S30.1Very low31.5Very low48 Ų48158.8 Ų158.834%0.33675%0.751SS.*G310 helixtrans-75.7-14.6176.354.60000114.6Q557 S558Q557-S561 WeakPolarHBondContact CB-OG 3.14Å; Q557-S561 VanDerWaalsContact OE1-CB 3.31Å; Q557-S561 PolarHBondContact OE1-OG 3.08Å; S558-S561 PolarHBondContact O-N 3.19Å; S558-S561 PolarHBondContact O-OG 3.17Å
562R29.8Very low30.3Very low223 Ų223154.3 Ų154.384%0.84275%0.75SS**G310 helixtrans-84.9-4.9173.2-80.4-176.6-176166.72114.4F560F560-R562 VanDerWaalsContact C-N 3.33Å; F560-R562 PolarHBondContact O-N 3.27Å
563L32.8Very low30Very low129 Ų129152.9 Ų152.968%0.67575%0.754SS**SBendtrans-98.6-3.3180-89.3150.1000114.5F560F560-L563 PolarHBondContact O-N 2.82Å
564F30.6Very low30Very low183 Ų183153.2 Ų153.280%0.80376%0.763SS**  trans-123.358.8174.8-68.6-80.8000112.1
565K27.2Very low30Very low209 Ų209156 Ų15691%0.90977%0.767SS**  trans-103.278.7154.5-97.5-175.1177.4178.60108.7
566R27.6Very low30Very low233 Ų233154.9 Ų154.988%0.87977%0.767SS**  trans-128.5104.7161.3-143.2174.2-178.8172-1108.9
567K27.4Very low30Very low188 Ų188156.5 Ų156.582%0.81777%0.768SS**  trans35.2109.9157.4-67.5-178.4174.9-176.60116.8
568H28Very low29.8Very low201 Ų201155.7 Ų155.793%0.93177%0.769SS**  -154.9131.7121.5-99.4-69.6000110.2
569R27.6Very low29.8Very low242 Ų242160.6 Ų160.691%0.91378%0.783SS**  trans-82.4160.1172-96.5-176.2176-176.2-1.7110.1
570P31.1Very low29.5Very low111 Ų111156.8 Ų156.872%0.72178%0.779SS**  trans-102.8157.9-158.738.5-31.4000114.1
571H32.1Very low29.2Very low204 Ų204157.4 Ų157.494%0.94479%0.787SS**  trans-155.2130.3153.8-94.7-59.9000110.9
572G29Very low29.1Very low74 Ų74162.6 Ų162.676%0.76381%0.809SS**  trans135.2109162.200000115.8
573P32.9Very low28.9Very low130 Ų130159.4 Ų159.484%0.84481%0.809SS**  trans-97.5178.7-17141.3-35.1000114.1
574P32.2Very low28.7Very low122 Ų122160.1 Ų160.179%0.79281%0.814SS**  trans-101.2168.3-145.439.8-35000115.4
575I32.8Very low28.5Very low177 Ų177159.4 Ų159.491%0.90882%0.818SS**  trans-128.5140.9162.9-62.2178.1000109.3
576D28.8Very low28.6Very low138 Ų138155.8 Ų155.874%0.73881%0.809SS**  trans-82.4170.1-168.9-125.3-26.3000115.1
577D28.1Very low28.7Very low119 Ų119150.5 Ų150.564%0.63681%0.805SS**  trans87.6106.6145.3-76.5-37.4000123.4
578N25.3Very low28.7Very low135 Ų135147.5 Ų147.572%0.72280%0.802SS**  61.6110.1116.4-82-37.8000121.2
579Q27.1Very low28.5Very low181 Ų181145.1 Ų145.185%0.84680%0.796SS**  164.8145.5106.9-94.5178.57.800115.8
580S27.7Very low28.6Very low98 Ų98140.9 Ų140.969%0.68579%0.79SS**  trans59.1110.6156.4600000119.2
581I24.5Very low28.3Very low161 Ų161143.7 Ų143.783%0.82679%0.793SS**  52.110281.6-54.6172.5000111.9
582I29.3Very low28.1Very low157 Ų157142 Ų14281%0.80579%0.786SS**  trans-162.1122.9132.5-90.4146.4000107.9
583N25.1Very low27.9Very low155 Ų155146.5 Ų146.583%0.82979%0.787SS**  trans-59.8131.2164.5-80.5-33.5000110.2
584N28.9Very low27.6Very low145 Ų145146.9 Ų146.978%0.77578%0.781SS**  trans-163.4100.8143.2-99.9-16.7000110N586N584-N586 PolarHBondContact O-N 2.98Å
585N26.4Very low27.3Very low168 Ų168146.9 Ų146.990%0.89878%0.778SS**  trans-83.699.8160.8-83.1-23.9000108
586N28.3Very low27Very low132 Ų132145.1 Ų145.171%0.70678%0.776SS**  trans-122.2129153.7-91.2-19.5000106.8N584 V588N584-N586 PolarHBondContact O-N 2.98Å; N586-V588 PolarHBondContact O-N 3.31Å
587P29.4Very low26.9Very low123 Ų123143.9 Ų143.980%0.79978%0.778SS**  trans-73.3111.3170.929.3-27.5000107.7D589P587-D589 PolarHBondContact O-N 3.45Å
588V28.6Very low26.7Very low125 Ų125141.6 Ų141.676%0.75878%0.783SS**  trans-75.2117169.4172.70000107.6N586 I590N586-V588 PolarHBondContact O-N 3.31Å; V588-I590 PolarHBondContact O-N 2.9Å
589D24.1Very low26.9Very low151 Ų151141.8 Ų141.881%0.80779%0.789SS**  trans-54.6114.4161.5-75.9-48.6000109.1P587 E591P587-D589 PolarHBondContact O-N 3.45Å; D589-E591 PolarHBondContact O-N 3.16Å
590I29.5Very low26.8Very low152 Ų152138.4 Ų138.478%0.77979%0.785SS**  trans-87.997.2164.9-62.9177.5000106.1V588 E592V588-I590 PolarHBondContact O-N 2.9Å; I590-E592 PolarHBondContact O-N 3.37Å
591E24.5Very low26.7Very low170 Ų170139.3 Ų139.379%0.79479%0.791SS**  trans-61.9106.2158.6-78-175.3144.900109D589 Q593D589-E591 PolarHBondContact O-N 3.16Å; E591-Q593 PolarHBondContact O-N 3.39Å
592E27.3Very low26.7Very low168 Ų168135.4 Ų135.479%0.78579%0.791SS**  trans-76.899.9158.9-105.9-178.1168.400108.6I590 I594I590-E592 PolarHBondContact O-N 3.37Å; E592-I594 PolarHBondContact O-N 3.47Å; E592-I594 VanDerWaalsContact O-N 3.12Å
593Q24.5Very low26.6Very low169 Ų169136.7 Ų136.779%0.7980%0.798SS**  trans-63.9103.3160.7-73.5-174.9-4.500109.1E591E591-Q593 PolarHBondContact O-N 3.39Å
594I27.6Very low26.7Very low139 Ų139137.6 Ų137.671%0.71380%0.798SS**  trans-92.4105.9162.1-63.5177.2000107.7E592 T596E592-I594 PolarHBondContact O-N 3.47Å; E592-I594 VanDerWaalsContact O-N 3.12Å; I594-T596 PolarHBondContact O-N 3.08Å
595T26Very low26.5Very low121 Ų121140.3 Ų140.374%0.74280%0.803SS**  trans-64.8117.5163.941.50000109.5S597T595-S597 PolarHBondContact O-N 3.19Å
596T25.4Very low26.5Very low140 Ų140136.8 Ų136.886%0.85980%0.797SS**  trans-87.598.4167.143.60000109.1I594I594-T596 PolarHBondContact O-N 3.08Å
597S26.9Very low26.7Very low112 Ų112136.4 Ų136.478%0.78380%0.795SS**  trans-127.5141.5155.564.50000108.3T595T595-S597 PolarHBondContact O-N 3.19Å
598G25.1Very low26.8Very low72 Ų72139.6 Ų139.674%0.74280%0.796SS**  trans-65.2154.9-151.600000116.3
599V28Very low27.1Very low139 Ų139137.5 Ų137.584%0.84279%0.787SS**  -154.7118.6128.3168.80000107.4
600S25.5Very low27.6Very low110 Ų110136.2 Ų136.277%0.76978%0.78SS**  trans-71.8148.7162.9175.30000109.3
601S25.9Very low28Very low116 Ų116134.4 Ų134.481%0.81177%0.771SS**  trans82.7115.4176.378.50000116.5
602G25.3Very low28.4Very low80 Ų80129.1 Ų129.183%0.82575%0.753SS**  trans151.950.7173.200000115.6
603L25.9Very low28.9Very low183 Ų183126.3 Ų126.396%0.95874%0.742SS**  trans-126.368.2168.9-114.7143.5000109.3
604E26.9Very low29.5Very low174 Ų174120.7 Ų120.781%0.81373%0.725SS**  trans-134137.5157-83-166.6141.700107.4
605K26.2Very low29.8Very low203 Ų203120.8 Ų120.888%0.88372%0.722SS**  trans95.665.8175.3-53175.1-177.4176.70116.8
606A26.6Very low30.4Very low93 Ų93119.8 Ų119.877%0.76972%0.716SS**SBendtrans-154.3125.3137.100000108.1
607N32Very low31Very low124 Ų124120.7 Ų120.766%0.66371%0.708SS**  trans103.739.8-176.2-59.4-12.4000117.7
608K31.3Very low31.5Very low190 Ų190121.2 Ų121.283%0.82670%0.702SS**SBendtrans-95.94163.5-87.2-173.5176179.70114.9
609S34Very low32Very low81 Ų81121.5 Ų121.557%0.56669%0.692SS**SBendtrans-99.2-16-178.355.20000115.5
610D35.6Very low32.3Very low125 Ų125121.6 Ų121.667%0.66869%0.688SS**SBendtrans-103.4-11.7-179.6-70.7-21.4000113.5
611L36.8Very low32.8Very low113 Ų113122.7 Ų122.759%0.59268%0.681SS**SBendtrans-87.5-29.6177.6-87150.6000113.4I613 A614 E615L611-I613 VanDerWaalsContact C-N 3.34Å; L611-I613 PolarHBondContact O-N 2.86Å; L611-A614 PolarHBondContact O-N 3.19Å; L611-E615 PolarHBondContact O-N 3.3Å
612S33.2Very low33Very low60 Ų60125.3 Ų125.342%0.4268%0.68SS.*Hα-helixtrans-75.6-19.6-178.963.20000114.2T616S612-T616 PolarHBondContact O-N 3.3Å; S612-T616 PolarHBondContact O-OG1 3.14Å
613I38.1Very low33.3Very low108 Ų108131 Ų13155%0.55469%0.685SS**Hα-helixtrans-82.9-24.1175.7-61.1175000111.1L611L611-I613 VanDerWaalsContact C-N 3.34Å; L611-I613 PolarHBondContact O-N 2.86Å
614A36.5Very low33.4Very low51 Ų51126.9 Ų126.942%0.42167%0.672SS.*Hα-helixtrans-77.1-40.8174.200000111.6L611 T616 K617 L618L611-A614 PolarHBondContact O-N 3.19Å; A614-T616 PolarHBondContact O-N 3.04Å; A614-K617 PolarHBondContact O-N 3.02Å; A614-L618 WeakPolarHBondContact O-CD1 3.5Å; A614-L618 PolarHBondContact O-N 2.89Å
615E35.5Very low33.6Very low141 Ų141126 Ų12666%0.65967%0.665SS**Hα-helixtrans-68-33.3179.5-72175.6159.400112.9L611 K617L611-E615 PolarHBondContact O-N 3.3Å; E615-K617 PolarHBondContact O-N 2.98Å
616T37.4Very low33.7Very low101 Ų101126 Ų12662%0.6267%0.666SS**Hα-helixtrans-79.6-14.7-178.3-44.60000113.5S612 A614S612-T616 PolarHBondContact O-N 3.3Å; S612-T616 PolarHBondContact O-OG1 3.14Å; A614-T616 PolarHBondContact O-N 3.04Å
617K37.6Very low33.8Very low158 Ų158130.7 Ų130.769%0.68767%0.672SS**Hα-helixtrans-94.1-16.6174.7-77.2-172.2175.6-175.10113.7A614 E615A614-K617 PolarHBondContact O-N 3.02Å; E615-K617 PolarHBondContact O-N 2.98Å
618L38.6Very low33.9Very low124 Ų124130.7 Ų130.765%0.64967%0.668SS**Hα-helixtrans-83.1-22.9179.5-98.5137.1000113.5A614 N620A614-L618 WeakPolarHBondContact O-CD1 3.5Å; A614-L618 PolarHBondContact O-N 2.89Å; L618-N620 VanDerWaalsContact C-N 3.28Å; L618-N620 PolarHBondContact O-N 2.77Å
619S34.9Very low34Very low77 Ų77130.6 Ų130.654%0.53867%0.667SS.*THydrogen-bonded Turntrans-75.2-11.6177.5770000114.7
620N33.8Very low34.2Very low141 Ų141131.3 Ų131.375%0.75466%0.664SS**THydrogen-bonded Turntrans-106.79.7-176.7-74.3-13.3000113.8L618L618-N620 VanDerWaalsContact C-N 3.28Å; L618-N620 PolarHBondContact O-N 2.77Å
621Q36.7Very low34.5Very low133 Ų133129.2 Ų129.262%0.62166%0.655SS**  trans-118.93178-79.9-171.3-28.700114.8H623 S624Q621-H623 PolarHBondContact O-N 2.83Å; Q621-S624 PolarHBondContact O-N 3.39Å
622E30.8Very low34.2Very low172 Ų172131.5 Ų131.580%0.80466%0.66SS**THydrogen-bonded Turntrans-68.5-2.6-178.4-73.1-171.214500115.2
623H31.9Very low34.3Very low198 Ų198129.7 Ų129.792%0.91765%0.647SS**THydrogen-bonded Turntrans-100.37.6179.1-97.4-65000116.3Q621Q621-H623 PolarHBondContact O-N 2.83Å
624S27.7Very low33.7Very low98 Ų98131.1 Ų131.169%0.68566%0.656SS**SBendtrans-145.952.2-178.7-172.60000115.3Q621Q621-S624 PolarHBondContact O-N 3.39Å
625F31.5Very low33.2Very low154 Ų154132 Ų13268%0.67566%0.659SS**  trans-142.590.3165.7-84.5-82.8000112
626K27.6Very low32.7Very low205 Ų205133.3 Ų133.389%0.89167%0.669SS**  trans-124.878.9159.8-84-174.2177.3177.70108
627Q27.9Very low32.1Very low191 Ų191134 Ų13489%0.89367%0.674SS**  trans172.775156.3-98166.325.800109.7
628E34Very low31.4Very low124 Ų124130.4 Ų130.458%0.57967%0.668SS**  trans-123.3107158.8-75.1-172.3166.800107.4I630E628-I630 PolarHBondContact O-N 3.1Å
629K34.9Very low30.7Very low187 Ų187130.1 Ų130.181%0.81367%0.666SS**  trans-82.599.3173.4-89.2-175.9176178.40108.2V631K629-V631 PolarHBondContact O-N 2.89Å
630I38.3Very low30.2Very low97 Ų97131.5 Ų131.550%0.49768%0.676SS.*  trans-77.7110.8167.1-56.4173.6000107.7M1 E628 K632M1-I630 HydrophobicContact CE-CB 4.36Å; M1-I630 HydrophobicContact CE-CD1 3.54Å; M1-I630 HydrophobicContact CE-CG1 4.49Å; M1-I630 HydrophobicContact CE-CG2 3.64Å; M1-I630 HydrophobicContact SD-CD1 4.06Å; E628-I630 PolarHBondContact O-N 3.1Å; I630-K632 PolarHBondContact O-N 3.37Å
631V41.2Very low29.8Very low81 Ų81130.5 Ų130.549%0.49168%0.675SS.*  trans-77.2103.3173.6-177.30000107.9F277 K629F277-V631 HydrophobicContact CZ-CG1 4.4Å; K629-V631 PolarHBondContact O-N 2.89Å
632K30.4Very low29.1Very low161 Ų161132 Ų13270%0.769%0.687SS**  trans-67.9130.4-178.5-72-176.9177.5-179.30111.6I630I630-K632 PolarHBondContact O-N 3.37Å
633S34.3Very low28.9Very low21 Ų21130.3 Ų130.315%0.14769%0.689CS.*  trans-91.891.4165.9154.30000108.9C635S633-C635 PolarHBondContact O-N 2.95Å
634D25.3Very low28.5Very low139 Ų139129.3 Ų129.374%0.74369%0.689SS**  trans-78.9102.1165-72.5-20.3000108.6
635C27.2Very low28.4Very low70 Ų70128.3 Ų128.347%0.47370%0.695SS.*  trans-112.293.9173.7-158.20000109.4S633 T637S633-C635 PolarHBondContact O-N 2.95Å; C635-T637 PolarHBondContact O-N 2.85Å
636L24.4Very low28Very low168 Ų168127.1 Ų127.188%0.8870%0.701SS**  trans-62.8127165.8-81.3165.6000109.8
637T24.1Very low28Very low115 Ų115125.4 Ų125.471%0.70670%0.696SS**  trans-64.6142176.738.30000112.4C635C635-T637 PolarHBondContact O-N 2.85Å
638S24.6Very low27.9Very low83 Ų83122.5 Ų122.558%0.5869%0.686SS**  trans-145.197142.767.60000109.8
639I23.2Very low27.6Very low117 Ų117122.4 Ų122.460%0.669%0.69SS**  trans-67.5136.7158.3-65.1164.6000107.6
640S25.3Very low27.2Very low106 Ų106119.7 Ų119.774%0.74168%0.683SS**  trans-151.999.4155.2-58.20000109.4
641T24.9Very low26.7Very low121 Ų121123.7 Ų123.774%0.74270%0.697SS**  trans-71.7134.8162.741.90000110
642N21.9Very low26Very low164 Ų164125.2 Ų125.288%0.87771%0.706SS**  trans-59.8137.3170-81.1-20.6000111.7
643T26.2Very low25.9Very low136 Ų136124.4 Ų124.483%0.83471%0.71SS**  trans-143.9125.8150.2-20.80000107.8
644L22.8Very low25.6Very low177 Ų177129.7 Ų129.793%0.92774%0.736SS**  trans-64.7141.8173.6-80.3106.4000110.5
645G26Very low25.8Very low78 Ų78132.6 Ų132.680%0.80474%0.743SS**  trans-176.5116.8169.100000110
646T23.3Very low25.8Very low129 Ų129135.7 Ų135.779%0.79175%0.754SS**  trans-82164.5-169.8430000114.7
647Q28.2Very low26Very low169 Ų169133.2 Ų133.279%0.7975%0.745SS**  trans97.7107.2153.3-76.2178.3-4.900120.5
648N26.3Very low26.1Very low129 Ų129133.3 Ų133.369%0.6975%0.746SS**  77.2119119.5-75.226.4000123.1
649D27.6Very low26.3Very low123 Ų123138.3 Ų138.366%0.65876%0.758SS**  104.6107.7122.7-71-19.3000122
650I26.6Very low26.6Very low130 Ų130137.9 Ų137.967%0.66776%0.761SS**  94.5132.9116.8-67.5171.8000121.3
651K27.7Very low26.6Very low181 Ų181138.6 Ų138.679%0.78776%0.76SS**  trans83.9107.8158.1-79.3160-171.1-170.10118.7
652T25.5Very low26.8Very low113 Ų113140.4 Ų140.469%0.69377%0.765SS**  68.6113.270.566.50000114.7
653D28.9Very low27.2Very low144 Ų144138.4 Ų138.477%0.7776%0.764SS**  170.1133.5108.5-83.8-21.3000113.7
654D27.4Very low27.4Very low132 Ų132140.9 Ų140.971%0.70677%0.766SS**  trans-5.4149154.7-64.4-31.4000122.4
655F30.1Very low27.7Very low200 Ų200138.9 Ų138.988%0.87777%0.766SS**  -167.4134.6108.5-115.8-88.8000113.6
656L26.3Very low27.8Very low135 Ų135140 Ų14071%0.70776%0.761SS**  trans-58.4163.7165-68.678.3000111.6
657T29.5Very low28.1Very low115 Ų115139.8 Ų139.871%0.70676%0.759SS**  176.5137.1625.10000110.6
658T25.2Very low28Very low118 Ų118138.8 Ų138.872%0.72476%0.759SS**  trans12.7134.714049.50000122.2
659K29.5Very low28.2Very low188 Ų188138.5 Ų138.582%0.81777%0.768SS**  174.3124.5113.3-100.5179.1-177.8179.80116.4
660T29.1Very low28.1Very low108 Ų108138.1 Ų138.166%0.66378%0.775SS**  trans44.5111.5131.449.80000120.5
661T26Very low28.3Very low120 Ų120136 Ų13674%0.73678%0.777SS**  72.1135.982.960.90000117.3
662N28.9Very low28.2Very low159 Ų159133.5 Ų133.585%0.8578%0.776SS**  trans98.491.3158.8-64.6-7.6000118.2
663S30.7Very low28.4Very low122 Ų122133.1 Ų133.185%0.85378%0.778SS**  trans-86.6117.3151.452.90000109.9
664H29.8Very low28.4Very low188 Ų188133.6 Ų133.687%0.8778%0.775SS**  trans-82.3126.8155-90.1-37.7000108.8
665C29.1Very low28.3Very low136 Ų136134.5 Ų134.592%0.91978%0.775SS**  trans-161.6139.3135.1-126.10000109.8
666S28.2Very low28.3Very low100 Ų100132.3 Ų132.370%0.69977%0.771SS**  trans-108.6147.9-158.9-0.80000111.5
667V30.3Very low28.2Very low126 Ų126133 Ų13376%0.76477%0.774SS**  trans75.7110.8137.9-173.70000119.6
668D25.6Very low28.2Very low147 Ų147134.7 Ų134.779%0.78678%0.779SS**  trans26.2130.2134.1-59.7-36.2000121.6
669S30.8Very low28.2Very low124 Ų124133.4 Ų133.487%0.86778%0.775SS**  -176.4153106.146.80000113
670S26Very low28.2Very low115 Ų115133.8 Ų133.880%0.80478%0.776SS**  trans-72.2161-175.1510000116.5
671A29.2Very low28Very low86 Ų86139.5 Ų139.571%0.71179%0.786SS**  124.1115.8128.900000118
672V25.9Very low28.2Very low127 Ų127142.3 Ų142.377%0.7779%0.791SS**  54.9120.5127.4-171.20000119.1
673S29.2Very low28Very low106 Ų106142.9 Ų142.974%0.74179%0.788SS**  174.4120.4115.4-72.20000114.1
674H29.7Very low27.9Very low153 Ų153141.8 Ų141.871%0.70878%0.78SS**  trans54.7125.5132-85.1-107.1000124.6
675E25.5Very low27.8Very low152 Ų152141.4 Ų141.471%0.7178%0.778SS**  trans62.8124.5134-73.3172.6140.900120.8
676I29.3Very low27.7Very low154 Ų154143 Ų14379%0.7977%0.77SS**  -166.8124.7104.5-89153.6000109.9
677I25.2Very low27.5Very low149 Ų149143.5 Ų143.576%0.76477%0.772SS**  trans-59.8130164.3-69160.4000109.2
678N30.2Very low27.4Very low150 Ų150143 Ų14380%0.80277%0.769SS**  trans-149.797.8150.7-105.6-30.5000112.8K680N678-K680 PolarHBondContact O-N 3.27Å
679S25Very low27.3Very low92 Ų92141.6 Ų141.664%0.64377%0.77SS**  trans-23.2121144.3161.40000114.6
680K29.3Very low27.2Very low195 Ų195144.6 Ų144.685%0.84877%0.768SS**  trans-135.593140.6-85.4-169.4178176.90109.5N678 Q682N678-K680 PolarHBondContact O-N 3.27Å; K680-Q682 PolarHBondContact O-N 2.82Å
681R24.4Very low27.5Very low229 Ų229143.5 Ų143.586%0.86476%0.76SS**  trans-58.6122.6151.1-79.9176.7170.4172.3-3.3107.9
682Q29.9Very low27.3Very low179 Ų179145.6 Ų145.684%0.83676%0.764SS**  trans-120.5120.9153.8-86-170.3-22.100108.3K680 S684K680-Q682 PolarHBondContact O-N 2.82Å; Q682-S684 PolarHBondContact O-N 3.38Å
683H25.7Very low27.4Very low171 Ų171147.1 Ų147.179%0.79277%0.767SS**  trans-59.7119.8171.7-78.1-88.7000110
684S28.6Very low27.3Very low98 Ų98148.5 Ų148.569%0.68578%0.775SS**  trans-105.6109.9152.855.50000108.1Q682 F686Q682-S684 PolarHBondContact O-N 3.38Å; S684-F686 PolarHBondContact O-N 3.26Å; S684-F686 VanDerWaalsContact O-N 3.13Å
685H25.9Very low27.3Very low180 Ų180146.6 Ų146.683%0.83378%0.777SS**  trans-67.4100164-84.5-75.4000108C687H685-C687 PolarHBondContact O-N 3.19Å
686F27.1Very low27.2Very low171 Ų171144.9 Ų144.975%0.7578%0.783SS**  trans-81.6104.4160.1-104.9-89.8000108.2S684 T688S684-F686 PolarHBondContact O-N 3.26Å; S684-F686 VanDerWaalsContact O-N 3.13Å; F686-T688 VanDerWaalsContact C-N 3.33Å; F686-T688 PolarHBondContact O-N 2.88Å; F686-T688 VanDerWaalsContact O-N 3.14Å
687C25.1Very low27.2Very low109 Ų109143.6 Ų143.674%0.73679%0.786SS**  trans-77.286.1168.7-161.40000107.9H685 C689H685-C687 PolarHBondContact O-N 3.19Å; C687-C689 VanDerWaalsContact C-N 3.34Å; C687-C689 PolarHBondContact O-N 3.24Å; C687-C689 VanDerWaalsContact O-N 3.15Å
688T28Very low27.4Very low116 Ų116143 Ų14371%0.71279%0.789SS**  trans-75.290.1161.629.90000108.2F686 F690F686-T688 VanDerWaalsContact C-N 3.33Å; F686-T688 PolarHBondContact O-N 2.88Å; F686-T688 VanDerWaalsContact O-N 3.14Å; T688-F690 PolarHBondContact O-N 3.41Å
689C23.8Very low27.6Very low118 Ų118149.2 Ų149.280%0.79781%0.809SS**  trans-70.480.6162.4-86.20000109.1C687C687-C689 VanDerWaalsContact C-N 3.34Å; C687-C689 PolarHBondContact O-N 3.24Å; C687-C689 VanDerWaalsContact O-N 3.15Å
690F29.4Very low27.8Very low187 Ų187152.1 Ų152.182%0.8282%0.817SS**  trans-94.3139152.5-103.5-89.8000109.5T688T688-F690 PolarHBondContact O-N 3.41Å
691S30.9Very low27.7Very low91 Ų91149.8 Ų149.864%0.63682%0.816SS**  trans-56.3130.1-168.149.20000115.8
692T26.3Very low27.9Very low131 Ų131145.4 Ų145.480%0.80481%0.813SS**  trans33.4104.2135.732.90000118.9
693L26.5Very low27.7Very low159 Ų159143.5 Ų143.583%0.83281%0.812SS**  trans-152.8105.4139.6-107.1129.9000108.6
694C27.8Very low27.9Very low134 Ų134141.8 Ų141.891%0.90581%0.813SS**  trans-146.5108.8151.4-127.70000109.2
695C28.9Very low27.8Very low113 Ų113144.7 Ų144.776%0.76482%0.821SS**  trans-57.3143.6170.8-78.50000111.5C697C695-C697 PolarHBondContact O-N 3.34Å
696S24.5Very low28Very low117 Ų117142.1 Ų142.182%0.81882%0.821SS**  trans-47.7127155.6-56.90000111.4
697C29.2Very low28Very low127 Ų127139.9 Ų139.986%0.85883%0.826SS**  trans-126.8114.6148.8-94.30000108.1C695 K699C695-C697 PolarHBondContact O-N 3.34Å; C697-K699 PolarHBondContact O-N 2.83Å
698T29.5Very low28.3Very low135 Ų135142.5 Ų142.583%0.82883%0.833SS**  trans-57.6116.9168.541.60000112
699K34.4Very low28.3Very low282 Ų282144.9 Ų144.9100%1.22685%0.845SS**  1790126.7-104.1-177.5-179.8179.80111C697C697-K699 PolarHBondContact O-N 2.83Å

Retrieved 699 of 699 residues in 279.1 ms (Link to these results)

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