A0A077YZM0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZM0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 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
1M44Very low54.4Low226 Ų22694.7 Ų94.7100%1.11355%0.545SS*.  0118.20-93.6176.3175.900107V3M1-V3 PolarHBondContact O-N 3.42Å
2D54.9Low53.9Low113 Ų11396.8 Ų96.860%0.60455%0.546SS*.  trans-73.9120.5178.8-146.5-35.5000109A4 N5 V6D2-A4 PolarHBondContact O-N 3.2Å; D2-N5 HydrophobicContact CB-CB 4.4Å; D2-N5 PolarHBondContact O-N 3.46Å; D2-N5 VanDerWaalsContact O-N 3.09Å; D2-V6 PolarHBondContact O-N 3.33Å
3V50.5Low53.9Low97 Ų9796.5 Ų96.559%0.58855%0.551SS**Hα-helixtrans-62.1-30.3-174.9178.10000110.5M1 V6 Y7M1-V3 PolarHBondContact O-N 3.42Å; V3-V6 PolarHBondContact O-N 3.37Å; V3-Y7 WeakPolarHBondContact O-CB 3.44Å; V3-Y7 PolarHBondContact O-N 3.36Å; V3-Y7 VanDerWaalsContact O-N 3.09Å
4A51.9Low53.5Low60 Ų6098.1 Ų98.150%0.49654%0.544SS..Hα-helixtrans-61.6-42.4175.100000112.3D2 V6 Y7 E8D2-A4 PolarHBondContact O-N 3.2Å; A4-V6 PolarHBondContact O-N 2.97Å; A4-Y7 WeakPolarHBondContact O-CB 3.27Å; A4-Y7 PolarHBondContact O-N 3.3Å; A4-E8 WeakPolarHBondContact O-CB 3.17Å; A4-E8 PolarHBondContact O-N 3.03Å
5N56.7Low53.4Low105 Ų10595.9 Ų95.956%0.56153%0.532SS*.Hα-helixtrans-68.5-36.3-179.7-84-0.8000112.8D2 Y7 A9D2-N5 HydrophobicContact CB-CB 4.4Å; D2-N5 PolarHBondContact O-N 3.46Å; D2-N5 VanDerWaalsContact O-N 3.09Å; N5-Y7 VanDerWaalsContact C-N 3.34Å; N5-A9 VanDerWaalsContact O-CB 3.25Å; N5-A9 WeakPolarHBondContact O-CB 3.3Å; N5-A9 PolarHBondContact O-N 3.22Å
6V58.2Low53.2Low89 Ų89105.4 Ų105.454%0.53956%0.557SS.*Hα-helixtrans-67.6-40.6176-179.80000110.2D2 V3 A4 A10D2-V6 PolarHBondContact O-N 3.33Å; V3-V6 PolarHBondContact O-N 3.37Å; A4-V6 PolarHBondContact O-N 2.97Å; V6-A10 VanDerWaalsContact O-CB 3.3Å; V6-A10 WeakPolarHBondContact O-CB 3.46Å; V6-A10 PolarHBondContact O-N 3.18Å; V6-A10 VanDerWaalsContact O-N 3.1Å
7Y53.7Low52.9Low93 Ų93104.9 Ų104.937%0.36557%0.572SS.*Hα-helixtrans-64.5-45.8176.4-172.8-98.1000111.8V3 A4 N5 A10 V11 Y27V3-Y7 WeakPolarHBondContact O-CB 3.44Å; V3-Y7 PolarHBondContact O-N 3.36Å; V3-Y7 VanDerWaalsContact O-N 3.09Å; A4-Y7 WeakPolarHBondContact O-CB 3.27Å; A4-Y7 PolarHBondContact O-N 3.3Å; N5-Y7 VanDerWaalsContact C-N 3.34Å; Y7-A10 PolarHBondContact O-N 2.9Å; Y7-V11 HydrophobicContact CD1-CG2 4.28Å; Y7-V11 HydrophobicContact CD2-CG2 4.28Å; Y7-V11 HydrophobicContact CE1-CG2 4Å; Y7-V11 HydrophobicContact CE2-CG2 4Å; Y7-V11 HydrophobicContact CG-CG2 4.41Å; Y7-V11 VanDerWaalsContact O-CB 3.29Å; Y7-V11 WeakPolarHBondContact O-CB 3.36Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.25Å; Y7-Y27 WeakPolarHBondContact OH-CD1 3.5Å; Y7-Y27 WeakPolarHBondContact OH-CE1 3.41Å
8E55.2Low52.6Low100 Ų100100.2 Ų100.247%0.46755%0.549SS..Hα-helixtrans-67.5-41.7-178.4-157.8175.5-177.100112A4 A10 V11 Q12A4-E8 WeakPolarHBondContact O-CB 3.17Å; A4-E8 PolarHBondContact O-N 3.03Å; E8-A10 VanDerWaalsContact C-N 3.33Å; E8-A10 PolarHBondContact O-N 3.21Å; E8-V11 PolarHBondContact O-N 3.24Å; E8-Q12 HydrophobicContact CG-CG 4.05Å; E8-Q12 VanDerWaalsContact O-CB 3.24Å; E8-Q12 WeakPolarHBondContact O-CB 3.45Å; E8-Q12 WeakPolarHBondContact O-CG 3.23Å; E8-Q12 PolarHBondContact O-N 2.97Å; E8-Q12 PolarHBondContact OE1-NE2 3.45Å
9A59.7Low52.7Low72 Ų7299.4 Ų99.460%0.59555%0.551SS**Hα-helixtrans-65.3-33.4175.500000113.1N5 P13N5-A9 VanDerWaalsContact O-CB 3.25Å; N5-A9 WeakPolarHBondContact O-CB 3.3Å; N5-A9 PolarHBondContact O-N 3.22Å; A9-P13 WeakPolarHBondContact O-CD 3.34Å
10A59.5Low52.9Low63 Ų63101.2 Ų101.252%0.52156%0.558SS.*Hα-helixtrans-78.6-30.5177.400000113V6 Y7 E8V6-A10 VanDerWaalsContact O-CB 3.3Å; V6-A10 WeakPolarHBondContact O-CB 3.46Å; V6-A10 PolarHBondContact O-N 3.18Å; V6-A10 VanDerWaalsContact O-N 3.1Å; Y7-A10 PolarHBondContact O-N 2.9Å; E8-A10 VanDerWaalsContact C-N 3.33Å; E8-A10 PolarHBondContact O-N 3.21Å
11V54.2Low53Low24 Ų24104.7 Ų104.715%0.14556%0.563CS.*Hα-helixtrans-96.3-30.7-173.1176.40000112.8Y7 E8 P13 Y14 N15 Y27Y7-V11 HydrophobicContact CD1-CG2 4.28Å; Y7-V11 HydrophobicContact CD2-CG2 4.28Å; Y7-V11 HydrophobicContact CE1-CG2 4Å; Y7-V11 HydrophobicContact CE2-CG2 4Å; Y7-V11 HydrophobicContact CG-CG2 4.41Å; Y7-V11 VanDerWaalsContact O-CB 3.29Å; Y7-V11 WeakPolarHBondContact O-CB 3.36Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.25Å; E8-V11 PolarHBondContact O-N 3.24Å; V11-P13 VanDerWaalsContact C-CD 3.46Å; V11-Y14 PolarHBondContact O-N 2.91Å; V11-Y14 VanDerWaalsContact O-N 3.15Å; V11-N15 PolarHBondContact O-N 2.94Å; V11-Y27 HydrophobicContact CG1-CE2 4.25Å
12Q47.9Very low53.3Low120 Ų12096.3 Ų96.356%0.56153%0.525SS*.Hα-helixtrans-55.3-42.1-177.4-92.1-165.77.100115.2E8 Y14 N15E8-Q12 HydrophobicContact CG-CG 4.05Å; E8-Q12 VanDerWaalsContact O-CB 3.24Å; E8-Q12 WeakPolarHBondContact O-CB 3.45Å; E8-Q12 WeakPolarHBondContact O-CG 3.23Å; E8-Q12 PolarHBondContact O-N 2.97Å; E8-Q12 PolarHBondContact OE1-NE2 3.45Å; Q12-Y14 PolarHBondContact O-N 3.41Å; Q12-N15 PolarHBondContact O-N 3.15Å
13P53.9Low53Low93 Ų9394.2 Ų94.260%0.60451%0.51SS*.Hα-helixtrans-62.7-25.5-179.3-20.931.4000113.4A9 V11A9-P13 WeakPolarHBondContact O-CD 3.34Å; V11-P13 VanDerWaalsContact C-CD 3.46Å
14Y48.3Very low53.3Low118 Ų11893.3 Ų93.346%0.46350%0.501SS..Hα-helixtrans-97.8-12.5-176.2-64.3-80.2000113V11 Q12 R16 A18 F26V11-Y14 PolarHBondContact O-N 2.91Å; V11-Y14 VanDerWaalsContact O-N 3.15Å; Q12-Y14 PolarHBondContact O-N 3.41Å; Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.4Å; Y14-A18 WeakPolarHBondContact O-CB 3.36Å; Y14-A18 PolarHBondContact O-N 2.87Å; Y14-F26 AromaticContact CD1-CE2 3.81Å; Y14-F26 HydrophobicContact CD1-CE2 3.81Å; Y14-F26 HydrophobicContact CD1-CZ 4.13Å; Y14-F26 HydrophobicContact CE1-CE2 4.05Å; Y14-F26 AromaticContact CE1-CZ 3.94Å; Y14-F26 HydrophobicContact CE1-CZ 3.94Å; Y14-F26 HydrophobicContact CE2-CZ 4.34Å; Y14-F26 HydrophobicContact CG-CD2 4.47Å; Y14-F26 HydrophobicContact CG-CE2 4.09Å; Y14-F26 HydrophobicContact CG-CZ 4.41Å
15N52.5Low53.4Low66 Ų6694 Ų9435%0.35349%0.493SS..Hα-helixtrans-76-20.2-171.3-127.6-15.5000113.9V11 Q12 K23V11-N15 PolarHBondContact O-N 2.94Å; Q12-N15 PolarHBondContact O-N 3.15Å; N15-K23 WeakPolarHBondContact O-CE 3.32Å; N15-K23 PolarHBondContact O-NZ 2.83Å; N15-K23 VanDerWaalsContact OD1-CE 3.23Å; N15-K23 WeakPolarHBondContact OD1-CE 3.38Å; N15-K23 PolarHBondContact OD1-NZ 3.39Å
16R49.9Very low53.3Low247 Ų24792.8 Ų92.893%0.93248%0.483SS*.THydrogen-bonded Turntrans-93.1-23.8-177.9-82.9-173.7171.2175.5-1.5115.5Y14Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.4Å
17A48.4Very low53.3Low98 Ų9893.4 Ų93.481%0.8148%0.477SS*.THydrogen-bonded Turntrans-127-7.6-172.200000114.8
18A47.8Very low53.7Low20 Ų2091.2 Ų91.217%0.16548%0.475CS..  trans-94.9126.4-173.100000111.7Y14 T22 K23Y14-A18 WeakPolarHBondContact O-CB 3.36Å; Y14-A18 PolarHBondContact O-N 2.87Å; A18-T22 HydrophobicContact CB-CG2 3.64Å; A18-K23 WeakPolarHBondContact O-CE 3.48Å
19S55Low54.1Low85 Ų8588.2 Ų88.259%0.59446%0.462SS*.  trans-48.7149.8172179.10000111R21 T22 K23S19-R21 PolarHBondContact O-N 3.48Å; S19-T22 WeakPolarHBondContact O-CA 3.4Å; S19-T22 WeakPolarHBondContact O-CB 3.38Å; S19-T22 PolarHBondContact O-N 3.29Å; S19-K23 PolarHBondContact O-N 3.04Å
20I55.2Low54.4Low134 Ų13486.3 Ų86.369%0.68745%0.449SS*.Hα-helixtrans-45-36.8179.3-66.6169000111.5T22 K23 I24I20-T22 PolarHBondContact O-N 3.37Å; I20-K23 PolarHBondContact O-N 2.9Å; I20-I24 HydrophobicContact CG2-CD1 3.81Å; I20-I24 HydrophobicContact CG2-CG1 4.37Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3.32Å
21R54.6Low54.7Low175 Ų17586.1 Ų86.166%0.6644%0.441SS*.Hα-helixtrans-61.2-40.7177.3-162.5174.5-173.5-1782113.4S19 F25S19-R21 PolarHBondContact O-N 3.48Å; R21-F25 VanDerWaalsContact O-CB 3.32Å; R21-F25 WeakPolarHBondContact O-CB 3.39Å; R21-F25 PolarHBondContact O-N 2.85Å
22T50.6Low55.2Low50 Ų5085.1 Ų85.131%0.30744%0.435SS..Hα-helixtrans-71.3-37.1176.9-49.70000110.9A18 S19 I20 F25 F26A18-T22 HydrophobicContact CB-CG2 3.64Å; S19-T22 WeakPolarHBondContact O-CA 3.4Å; S19-T22 WeakPolarHBondContact O-CB 3.38Å; S19-T22 PolarHBondContact O-N 3.29Å; I20-T22 PolarHBondContact O-N 3.37Å; T22-F25 PolarHBondContact O-N 3.13Å; T22-F26 HydrophobicContact CG2-CD2 3.6Å; T22-F26 HydrophobicContact CG2-CE2 3.48Å; T22-F26 VanDerWaalsContact CG2-CE2 3.48Å; T22-F26 WeakPolarHBondContact O-CD2 3.26Å; T22-F26 PolarHBondContact O-N 3.14Å
23K49.3Very low56.2Low70 Ų7084.8 Ų84.830%0.30444%0.437SS..Hα-helixtrans-62.3-49.4172.4-62.5-170.6-175.5-164.40110.7N15 A18 S19 I20 F25 F26 Y27N15-K23 WeakPolarHBondContact O-CE 3.32Å; N15-K23 PolarHBondContact O-NZ 2.83Å; N15-K23 VanDerWaalsContact OD1-CE 3.23Å; N15-K23 WeakPolarHBondContact OD1-CE 3.38Å; N15-K23 PolarHBondContact OD1-NZ 3.39Å; A18-K23 WeakPolarHBondContact O-CE 3.48Å; S19-K23 PolarHBondContact O-N 3.04Å; I20-K23 PolarHBondContact O-N 2.9Å; K23-F25 VanDerWaalsContact C-N 3.28Å; K23-F25 PolarHBondContact O-N 2.99Å; K23-F26 PolarHBondContact O-N 2.88Å; K23-Y27 WeakPolarHBondContact O-CB 3.48Å; K23-Y27 WeakPolarHBondContact O-CD2 3.15Å; K23-Y27 PolarHBondContact O-N 3.26Å
24I56.3Low56.9Low77 Ų7784.6 Ų84.640%0.39543%0.43SS..Hα-helixtrans-57.6-43.9175.7-66167.9000110.6I20 F26 Y27 S28I20-I24 HydrophobicContact CG2-CD1 3.81Å; I20-I24 HydrophobicContact CG2-CG1 4.37Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3.32Å; I24-F26 PolarHBondContact O-N 3.49Å; I24-Y27 PolarHBondContact O-N 3.29Å; I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 3.16Å; I24-S28 PolarHBondContact O-OG 3.48Å; I24-S28 VanDerWaalsContact O-OG 3.12Å
25F54.1Low57.9Low74 Ų7479.1 Ų79.133%0.32541%0.409SS..Hα-helixtrans-60.7-46.1177.8-172.7-103.3000112.8R21 T22 K23 N29 T107R21-F25 VanDerWaalsContact O-CB 3.32Å; R21-F25 WeakPolarHBondContact O-CB 3.39Å; R21-F25 PolarHBondContact O-N 2.85Å; T22-F25 PolarHBondContact O-N 3.13Å; K23-F25 VanDerWaalsContact C-N 3.28Å; K23-F25 PolarHBondContact O-N 2.99Å; F25-N29 VanDerWaalsContact CD1-ND2 3.25Å; F25-N29 WeakPolarHBondContact CD1-ND2 3.38Å; F25-N29 WeakPolarHBondContact CE1-ND2 3.4Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.34Å; F25-N29 WeakPolarHBondContact O-CB 3.31Å; F25-N29 VanDerWaalsContact O-CG 3.25Å; F25-N29 PolarHBondContact O-N 2.9Å; F25-N29 PolarHBondContact O-ND2 2.76Å; F25-T107 HydrophobicContact CE2-CG2 3.83Å; F25-T107 HydrophobicContact CZ-CG2 3.68Å
26F55.7Low58.7Low81 Ų8178.2 Ų78.236%0.35541%0.406SS..Hα-helixtrans-71-37.2177.5-82.5-70.5000113Y14 T22 K23 I24 N29 G30Y14-F26 AromaticContact CD1-CE2 3.81Å; Y14-F26 HydrophobicContact CD1-CE2 3.81Å; Y14-F26 HydrophobicContact CD1-CZ 4.13Å; Y14-F26 HydrophobicContact CE1-CE2 4.05Å; Y14-F26 AromaticContact CE1-CZ 3.94Å; Y14-F26 HydrophobicContact CE1-CZ 3.94Å; Y14-F26 HydrophobicContact CE2-CZ 4.34Å; Y14-F26 HydrophobicContact CG-CD2 4.47Å; Y14-F26 HydrophobicContact CG-CE2 4.09Å; Y14-F26 HydrophobicContact CG-CZ 4.41Å; T22-F26 HydrophobicContact CG2-CD2 3.6Å; T22-F26 HydrophobicContact CG2-CE2 3.48Å; T22-F26 VanDerWaalsContact CG2-CE2 3.48Å; T22-F26 WeakPolarHBondContact O-CD2 3.26Å; T22-F26 PolarHBondContact O-N 3.14Å; K23-F26 PolarHBondContact O-N 2.88Å; I24-F26 PolarHBondContact O-N 3.49Å; F26-N29 PolarHBondContact O-N 2.8Å; F26-G30 WeakPolarHBondContact O-CA 3.46Å; F26-G30 PolarHBondContact O-N 3.37Å
27Y58.3Low59.9Low102 Ų10269.9 Ų69.940%0.439%0.385SS..Hα-helixtrans-64.9-42.9174.9-88-108.3000111Y7 V11 K23 I24 T31Y7-Y27 WeakPolarHBondContact OH-CD1 3.5Å; Y7-Y27 WeakPolarHBondContact OH-CE1 3.41Å; V11-Y27 HydrophobicContact CG1-CE2 4.25Å; K23-Y27 WeakPolarHBondContact O-CB 3.48Å; K23-Y27 WeakPolarHBondContact O-CD2 3.15Å; K23-Y27 PolarHBondContact O-N 3.26Å; I24-Y27 PolarHBondContact O-N 3.29Å; Y27-T31 VanDerWaalsContact O-CB 3.27Å; Y27-T31 WeakPolarHBondContact O-CB 3.4Å; Y27-T31 PolarHBondContact O-N 3.19Å; Y27-T31 PolarHBondContact O-OG1 3.39Å
28S61Low61Low46 Ų4668.8 Ų68.832%0.32237%0.365SS..Hα-helixtrans-66.2-42.6176-67.70000112I24 L32I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 3.16Å; I24-S28 PolarHBondContact O-OG 3.48Å; I24-S28 VanDerWaalsContact O-OG 3.12Å; S28-L32 VanDerWaalsContact O-CB 3.25Å; S28-L32 WeakPolarHBondContact O-CB 3.39Å; S28-L32 PolarHBondContact O-N 2.91Å
29N63.4Low62.2Low38 Ų3872 Ų7220%0.20337%0.373CS..Hα-helixtrans-70.3-38.9177.2-73.4-36.4000113F25 F26 L32 L33 W111F25-N29 VanDerWaalsContact CD1-ND2 3.25Å; F25-N29 WeakPolarHBondContact CD1-ND2 3.38Å; F25-N29 WeakPolarHBondContact CE1-ND2 3.4Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.34Å; F25-N29 WeakPolarHBondContact O-CB 3.31Å; F25-N29 VanDerWaalsContact O-CG 3.25Å; F25-N29 PolarHBondContact O-N 2.9Å; F25-N29 PolarHBondContact O-ND2 2.76Å; F26-N29 PolarHBondContact O-N 2.8Å; N29-L32 PolarHBondContact O-N 2.87Å; N29-L33 VanDerWaalsContact O-CB 3.25Å; N29-L33 WeakPolarHBondContact O-CB 3.4Å; N29-L33 PolarHBondContact O-N 2.97Å; N29-W111 WeakPolarHBondContact OD1-CH2 3.25Å; N29-W111 WeakPolarHBondContact OD1-CZ2 2.99Å
30G66.1Low63.1Low31 Ų3176 Ų7632%0.3238%0.375SS..Hα-helixtrans-66.1-42.1176.300000111.7F26 L33 L34F26-G30 WeakPolarHBondContact O-CA 3.46Å; F26-G30 PolarHBondContact O-N 3.37Å; G30-L33 PolarHBondContact O-N 3.26Å; G30-L34 VanDerWaalsContact O-CB 3.26Å; G30-L34 WeakPolarHBondContact O-CB 3.42Å; G30-L34 PolarHBondContact O-N 3.47Å
31T65.2Low64.1Low59 Ų5973.9 Ų73.936%0.36237%0.366SS..Hα-helixtrans-66.1-42.3175.2-54.20000111.1Y27 L34 A35 L92Y27-T31 VanDerWaalsContact O-CB 3.27Å; Y27-T31 WeakPolarHBondContact O-CB 3.4Å; Y27-T31 PolarHBondContact O-N 3.19Å; Y27-T31 PolarHBondContact O-OG1 3.39Å; T31-L34 PolarHBondContact O-N 3.05Å; T31-A35 VanDerWaalsContact O-CB 3.24Å; T31-A35 WeakPolarHBondContact O-CB 3.23Å; T31-A35 PolarHBondContact O-N 3.36Å; T31-L92 HydrophobicContact CG2-CD2 4.47Å
32L65.2Low65Low4 Ų466.3 Ų66.32%0.02134%0.339CS..Hα-helixtrans-63.9-45.9176.1-176.965.2000111.6S28 N29 L34 A35 V36 I93 C96 L97 L100 W111S28-L32 VanDerWaalsContact O-CB 3.25Å; S28-L32 WeakPolarHBondContact O-CB 3.39Å; S28-L32 PolarHBondContact O-N 2.91Å; N29-L32 PolarHBondContact O-N 2.87Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L32-L34 PolarHBondContact O-N 3.36Å; L32-A35 PolarHBondContact O-N 3.44Å; L32-V36 HydrophobicContact CD1-CG2 4.48Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.25Å; L32-V36 PolarHBondContact O-N 3.39Å; L32-I93 HydrophobicContact CD1-CB 4.49Å; L32-I93 HydrophobicContact CD1-CG1 4.42Å; L32-I93 HydrophobicContact CD1-CG2 4.08Å; L32-C96 HydrophobicContact CD1-CB 3.97Å; L32-L97 HydrophobicContact CD2-CD2 4.4Å; L32-L100 HydrophobicContact CD2-CD1 4.06Å; L32-W111 HydrophobicContact CD2-CH2 3.76Å; L32-W111 HydrophobicContact CD2-CZ3 3.7Å
33L69.4Low66.2Low113 Ų11366.3 Ų66.359%0.59234%0.339SS*.Hα-helixtrans-61.5-44.4177.1-177.963.9000111N29 G30 A35 V36 C37N29-L33 VanDerWaalsContact O-CB 3.25Å; N29-L33 WeakPolarHBondContact O-CB 3.4Å; N29-L33 PolarHBondContact O-N 2.97Å; G30-L33 PolarHBondContact O-N 3.26Å; L33-A35 VanDerWaalsContact C-N 3.35Å; L33-V36 PolarHBondContact O-N 2.92Å; L33-C37 WeakPolarHBondContact O-CB 3.29Å; L33-C37 PolarHBondContact O-N 3.47Å; L33-C37 PolarHBondContact O-SG 2.79Å
34L69.3Low67.6Low88 Ų8866.9 Ų66.946%0.46135%0.345SS..Hα-helixtrans-61.9-43.8175.5-174.266000111.1G30 T31 L32 V36 C37 L38G30-L34 VanDerWaalsContact O-CB 3.26Å; G30-L34 WeakPolarHBondContact O-CB 3.42Å; G30-L34 PolarHBondContact O-N 3.47Å; T31-L34 PolarHBondContact O-N 3.05Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L32-L34 PolarHBondContact O-N 3.36Å; L34-V36 PolarHBondContact O-N 2.76Å; L34-C37 PolarHBondContact O-N 2.9Å; L34-L38 HydrophobicContact CG-CD1 4.12Å; L34-L38 HydrophobicContact CG-CG 4.48Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 3.48Å
35A68.2Low68.6Low3 Ų366.3 Ų66.33%0.02534%0.341CS..Hα-helixtrans-62.4-42.817800000112.1T31 L32 L33 L38 Y39 L92 I93T31-A35 VanDerWaalsContact O-CB 3.24Å; T31-A35 WeakPolarHBondContact O-CB 3.23Å; T31-A35 PolarHBondContact O-N 3.36Å; L32-A35 PolarHBondContact O-N 3.44Å; L33-A35 VanDerWaalsContact C-N 3.35Å; A35-L38 PolarHBondContact O-N 3.43Å; A35-Y39 VanDerWaalsContact O-CB 3.25Å; A35-Y39 WeakPolarHBondContact O-CB 3.48Å; A35-Y39 PolarHBondContact O-N 3.43Å; A35-L92 HydrophobicContact CB-CD2 3.74Å; A35-I93 HydrophobicContact CB-CD1 4.32Å; A35-I93 HydrophobicContact CB-CG1 3.71Å
36V70Confident69.5Low48 Ų4863.2 Ų63.229%0.29133%0.328SS..Hα-helixtrans-66.1-42.7175.21720000111.1L32 L33 L34 Y39 R40 I93L32-V36 HydrophobicContact CD1-CG2 4.48Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.25Å; L32-V36 PolarHBondContact O-N 3.39Å; L33-V36 PolarHBondContact O-N 2.92Å; L34-V36 PolarHBondContact O-N 2.76Å; V36-Y39 PolarHBondContact O-N 3.43Å; V36-R40 WeakPolarHBondContact O-CB 3.29Å; V36-R40 PolarHBondContact O-N 2.9Å; V36-I93 HydrophobicContact CG2-CD1 4.16Å; V36-I93 HydrophobicContact CG2-CG1 4.43Å
37C73.8Confident70.7Confident71 Ų7161.8 Ų61.848%0.4833%0.328SS..Hα-helixtrans-60.6-45.4175.2-76.60000111.7L33 L34 R40 N41L33-C37 WeakPolarHBondContact O-CB 3.29Å; L33-C37 PolarHBondContact O-N 3.47Å; L33-C37 PolarHBondContact O-SG 2.79Å; L34-C37 PolarHBondContact O-N 2.9Å; C37-R40 PolarHBondContact O-N 3.31Å; C37-N41 WeakPolarHBondContact O-CB 3.48Å; C37-N41 PolarHBondContact O-N 3.2Å
38L72.9Confident71.7Confident76 Ų7664.7 Ų64.740%0.39834%0.338SS..Hα-helixtrans-64-44.7175.5-72172.8000111.1L34 A35 R40 N41 T42 L89L34-L38 HydrophobicContact CG-CD1 4.12Å; L34-L38 HydrophobicContact CG-CG 4.48Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 3.48Å; A35-L38 PolarHBondContact O-N 3.43Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.5Å; L38-N41 PolarHBondContact O-N 3.4Å; L38-T42 WeakPolarHBondContact O-CB 3.44Å; L38-T42 PolarHBondContact O-N 3.13Å; L38-T42 PolarHBondContact O-OG1 2.82Å; L38-L89 HydrophobicContact CB-CD1 3.88Å; L38-L89 HydrophobicContact CB-CD2 3.9Å; L38-L89 HydrophobicContact CD1-CD2 4.15Å
39Y72.6Confident72.4Confident86 Ų8664 Ų6434%0.33733%0.331SS..Hα-helixtrans-58.3-45.5177.3-179.5-90.5000111.3A35 V36 T43 L86 L89 H90 I93A35-Y39 VanDerWaalsContact O-CB 3.25Å; A35-Y39 WeakPolarHBondContact O-CB 3.48Å; A35-Y39 PolarHBondContact O-N 3.43Å; V36-Y39 PolarHBondContact O-N 3.43Å; Y39-T43 VanDerWaalsContact O-CB 3.31Å; Y39-T43 WeakPolarHBondContact O-CB 3.45Å; Y39-T43 PolarHBondContact O-N 2.93Å; Y39-T43 PolarHBondContact O-OG1 2.78Å; Y39-L86 HydrophobicContact CD2-CD2 3.62Å; Y39-L86 HydrophobicContact CE2-CB 4.43Å; Y39-L86 HydrophobicContact CE2-CD2 3.73Å; Y39-L86 HydrophobicContact CG-CD2 4.23Å; Y39-L89 HydrophobicContact CD2-CB 4.33Å; Y39-H90 HydrophobicContact CE2-CB 4.38Å; Y39-I93 HydrophobicContact CD2-CD1 4.44Å; Y39-I93 HydrophobicContact CG-CD1 4.25Å
40R73.9Confident73.2Confident170 Ų17067.5 Ų67.564%0.64234%0.344SS*.Hα-helixtrans-65-42.7177.4-170.7176.9-175.8-173.90.7112V36 C37 L38 T43 N44V36-R40 WeakPolarHBondContact O-CB 3.29Å; V36-R40 PolarHBondContact O-N 2.9Å; C37-R40 PolarHBondContact O-N 3.31Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.5Å; R40-T43 PolarHBondContact O-N 3.43Å; R40-N44 WeakPolarHBondContact O-CB 3.25Å; R40-N44 VanDerWaalsContact O-CG 3.23Å; R40-N44 PolarHBondContact O-N 2.69Å; R40-N44 PolarHBondContact O-ND2 3.32Å
41N76.7Confident73.9Confident90 Ų9072.6 Ų72.648%0.48136%0.357SS..Hα-helixtrans-63.3-48.4177.9-167.434.5000111.3C37 L38 T43 N44 E45C37-N41 WeakPolarHBondContact O-CB 3.48Å; C37-N41 PolarHBondContact O-N 3.2Å; L38-N41 PolarHBondContact O-N 3.4Å; N41-T43 VanDerWaalsContact C-N 3.32Å; N41-T43 PolarHBondContact O-N 2.86Å; N41-N44 WeakPolarHBondContact O-CB 3.39Å; N41-N44 PolarHBondContact O-N 3.29Å; N41-E45 PolarHBondContact O-N 2.88Å
42T72.3Confident74.5Confident16 Ų1676.8 Ų76.810%0.09837%0.366CS..Hα-helixtrans-61.8-39.6177.7-54.50000111.6L38 E45 L46 H82 L86L38-T42 WeakPolarHBondContact O-CB 3.44Å; L38-T42 PolarHBondContact O-N 3.13Å; L38-T42 PolarHBondContact O-OG1 2.82Å; T42-E45 PolarHBondContact O-N 2.87Å; T42-L46 HydrophobicContact CG2-CD1 4.43Å; T42-L46 WeakPolarHBondContact O-CB 3.19Å; T42-L46 PolarHBondContact O-N 3.39Å; T42-H82 HydrophobicContact CG2-CB 4.24Å; T42-L86 HydrophobicContact CG2-CD2 3.63Å; T42-L86 HydrophobicContact CG2-CG 3.76Å
43T76.6Confident74.8Confident50 Ų5078.3 Ų78.331%0.30737%0.374SS..Hα-helixtrans-66.3-40.8175.9-58.50000111.8Y39 R40 N41 L46 S47 L86Y39-T43 VanDerWaalsContact O-CB 3.31Å; Y39-T43 WeakPolarHBondContact O-CB 3.45Å; Y39-T43 PolarHBondContact O-N 2.93Å; Y39-T43 PolarHBondContact O-OG1 2.78Å; R40-T43 PolarHBondContact O-N 3.43Å; N41-T43 VanDerWaalsContact C-N 3.32Å; N41-T43 PolarHBondContact O-N 2.86Å; T43-L46 PolarHBondContact O-N 2.82Å; T43-S47 WeakPolarHBondContact O-CB 3.43Å; T43-S47 PolarHBondContact O-N 3.28Å; T43-L86 WeakPolarHBondContact OG1-CD2 3.32Å
44N78.9Confident75.2Confident82 Ų8279.7 Ų79.744%0.43938%0.376SS..Hα-helixtrans-63.8-44.3175.3-76.6-22.3000111.6R40 N41 S47 R48R40-N44 WeakPolarHBondContact O-CB 3.25Å; R40-N44 VanDerWaalsContact O-CG 3.23Å; R40-N44 PolarHBondContact O-N 2.69Å; R40-N44 PolarHBondContact O-ND2 3.32Å; N41-N44 WeakPolarHBondContact O-CB 3.39Å; N41-N44 PolarHBondContact O-N 3.29Å; N44-S47 WeakPolarHBondContact O-CB 3.3Å; N44-S47 PolarHBondContact O-N 2.88Å; N44-R48 WeakPolarHBondContact O-CG 3.17Å; N44-R48 PolarHBondContact O-N 3.05Å
45E76.1Confident75.5Confident64 Ų6482.8 Ų82.830%0.29939%0.386SS..Hα-helixtrans-63.9-44.5176.4-73.2-55.9123.800111.6N41 T42 S47 R48 I49N41-E45 PolarHBondContact O-N 2.88Å; T42-E45 PolarHBondContact O-N 2.87Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 3.23Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 3.01Å; E45-R48 VanDerWaalsContact O-N 3.14Å; E45-R48 WeakPolarHBondContact OE1-CD 3.49Å; E45-R48 IonicContact OE1-CZ 3.72Å; E45-R48 IonicContact OE1-NE 3.99Å; E45-R48 IonicContact OE1-NH1 2.76Å; E45-R48 PolarHBondContact OE1-NH1 3.34Å; E45-R48 IonicContact OE2-NH1 3.78Å; E45-I49 WeakPolarHBondContact O-CB 3.23Å; E45-I49 VanDerWaalsContact O-CG1 3.26Å; E45-I49 WeakPolarHBondContact O-CG1 3.34Å; E45-I49 PolarHBondContact O-N 2.89Å
46L74.6Confident75.6Confident9 Ų987.9 Ų87.95%0.04741%0.407CS..Hα-helixtrans-57.7-42.6172.2-88.9166.8000112.5T42 T43 I49 K50 C79 H82 L86T42-L46 HydrophobicContact CG2-CD1 4.43Å; T42-L46 WeakPolarHBondContact O-CB 3.19Å; T42-L46 PolarHBondContact O-N 3.39Å; T43-L46 PolarHBondContact O-N 2.82Å; L46-I49 PolarHBondContact O-N 3.2Å; L46-K50 WeakPolarHBondContact O-CB 3.42Å; L46-K50 WeakPolarHBondContact O-CG 3.46Å; L46-K50 PolarHBondContact O-N 2.9Å; L46-C79 HydrophobicContact CD2-CB 4.45Å; L46-H82 HydrophobicContact CD1-CB 3.7Å; L46-H82 HydrophobicContact CD2-CB 3.61Å; L46-H82 HydrophobicContact CG-CB 3.56Å; L46-L86 HydrophobicContact CD1-CD1 3.24Å; L46-L86 HydrophobicContact CD1-CG 3.9Å
47S79.7Confident75.4Confident51 Ų5192 Ų9236%0.35742%0.421SS..Hα-helixtrans-64.2-40.7176.2-171.50000111.7T43 N44 E45 K50 K51T43-S47 WeakPolarHBondContact O-CB 3.43Å; T43-S47 PolarHBondContact O-N 3.28Å; N44-S47 WeakPolarHBondContact O-CB 3.3Å; N44-S47 PolarHBondContact O-N 2.88Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 3.23Å; S47-K50 PolarHBondContact O-N 2.81Å; S47-K51 WeakPolarHBondContact O-CB 3.41Å; S47-K51 VanDerWaalsContact O-CG 3.27Å; S47-K51 WeakPolarHBondContact O-CG 3.43Å; S47-K51 PolarHBondContact O-N 3.16Å
48R80.2Confident75.2Confident163 Ų16395.5 Ų95.562%0.61543%0.428SS*.Hα-helixtrans-63.2-45.7174.2-72.8174.974.5-172.95.6111.5N44 E45 K51 W52N44-R48 WeakPolarHBondContact O-CG 3.17Å; N44-R48 PolarHBondContact O-N 3.05Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 3.01Å; E45-R48 VanDerWaalsContact O-N 3.14Å; E45-R48 WeakPolarHBondContact OE1-CD 3.49Å; E45-R48 IonicContact OE1-CZ 3.72Å; E45-R48 IonicContact OE1-NE 3.99Å; E45-R48 IonicContact OE1-NH1 2.76Å; E45-R48 PolarHBondContact OE1-NH1 3.34Å; E45-R48 IonicContact OE2-NH1 3.78Å; R48-K51 PolarHBondContact O-N 3.42Å; R48-W52 WeakPolarHBondContact O-CB 3.4Å; R48-W52 PolarHBondContact O-N 2.91Å
49I76.1Confident74.7Confident33 Ų3397.7 Ų97.717%0.16944%0.44CS..Hα-helixtrans-60.7-47.3177-70.3164.9000110.5E45 L46 K51 W52 N53 Y75E45-I49 WeakPolarHBondContact O-CB 3.23Å; E45-I49 VanDerWaalsContact O-CG1 3.26Å; E45-I49 WeakPolarHBondContact O-CG1 3.34Å; E45-I49 PolarHBondContact O-N 2.89Å; L46-I49 PolarHBondContact O-N 3.2Å; I49-K51 PolarHBondContact O-N 3.41Å; I49-W52 PolarHBondContact O-N 3.45Å; I49-N53 PolarHBondContact O-N 3.39Å; I49-Y75 HydrophobicContact CG2-CD2 3.85Å; I49-Y75 HydrophobicContact CG2-CE2 3.35Å
50K78.6Confident74Confident110 Ų11098.5 Ų98.548%0.47845%0.445SS..Hα-helixtrans-60.9-45175.8-75.5179.8-179.5-177.70111.9L46 S47 N53 K54L46-K50 WeakPolarHBondContact O-CB 3.42Å; L46-K50 WeakPolarHBondContact O-CG 3.46Å; L46-K50 PolarHBondContact O-N 2.9Å; S47-K50 PolarHBondContact O-N 2.81Å; K50-N53 PolarHBondContact O-N 2.84Å; K50-K54 PolarHBondContact O-N 3.16Å
51K81.6Confident73.2Confident139 Ų13997 Ų9760%0.60445%0.45SS*.Hα-helixtrans-62.5-41.9176.1-76.9176-176.3178.50111.9S47 R48 I49 K54 K55S47-K51 WeakPolarHBondContact O-CB 3.41Å; S47-K51 VanDerWaalsContact O-CG 3.27Å; S47-K51 WeakPolarHBondContact O-CG 3.43Å; S47-K51 PolarHBondContact O-N 3.16Å; R48-K51 PolarHBondContact O-N 3.42Å; I49-K51 PolarHBondContact O-N 3.41Å; K51-K54 PolarHBondContact O-N 3.31Å; K51-K55 PolarHBondContact O-N 3.01Å
52W77.1Confident72.3Confident146 Ų146103.2 Ų103.255%0.55347%0.467SS*.Hα-helixtrans-63.8-43.5177.7-177.988.2000111.7R48 I49 K54 K55 K56R48-W52 WeakPolarHBondContact O-CB 3.4Å; R48-W52 PolarHBondContact O-N 2.91Å; I49-W52 PolarHBondContact O-N 3.45Å; W52-K54 PolarHBondContact O-N 2.87Å; W52-K55 PolarHBondContact O-N 3.25Å; W52-K56 HydrophobicContact CD2-CD 4.16Å; W52-K56 HydrophobicContact CD2-CG 4.39Å; W52-K56 HydrophobicContact CE3-CD 3.99Å; W52-K56 HydrophobicContact CH2-CD 3.65Å; W52-K56 HydrophobicContact CZ2-CD 3.74Å; W52-K56 HydrophobicContact CZ3-CD 3.72Å; W52-K56 PolarHBondContact O-N 3.34Å
53N73.2Confident71.7Confident36 Ų36107 Ų10719%0.19349%0.494CS..Hα-helixtrans-64-41.3175.7-166.115.3000111.9I49 K50 K55 K56 K57 Y75I49-N53 PolarHBondContact O-N 3.39Å; K50-N53 PolarHBondContact O-N 2.84Å; N53-K55 VanDerWaalsContact C-N 3.33Å; N53-K55 PolarHBondContact O-N 3.11Å; N53-K56 PolarHBondContact O-N 3.17Å; N53-K57 WeakPolarHBondContact O-CG 3.45Å; N53-K57 PolarHBondContact O-N 3.49Å; N53-Y75 HydrophobicContact CB-CD2 4.09Å; N53-Y75 HydrophobicContact CB-CE2 3.47Å; N53-Y75 VanDerWaalsContact CB-CE2 3.47Å; N53-Y75 VanDerWaalsContact ND2-CE1 3.3Å; N53-Y75 WeakPolarHBondContact ND2-CE1 3.25Å; N53-Y75 WeakPolarHBondContact ND2-CE2 3.49Å
54K76.4Confident70.5Confident142 Ų142113.7 Ų113.762%0.61752%0.522SS*.Hα-helixtrans-60.9-40.2174.6-167.4173.5-174.8174.10112.1K50 K51 W52 K58K50-K54 PolarHBondContact O-N 3.16Å; K51-K54 PolarHBondContact O-N 3.31Å; W52-K54 PolarHBondContact O-N 2.87Å; K54-K58 WeakPolarHBondContact O-CG 3.33Å; K54-K58 PolarHBondContact O-N 3.16Å; K54-K58 VanDerWaalsContact O-N 3.15Å
55K76Confident69.2Low154 Ų154113.5 Ų113.567%0.6754%0.539SS*.Hα-helixtrans-65.4-43.3173.9-75.7-174.8177.8-174.40111.9K51 W52 N53 K58 N59K51-K55 PolarHBondContact O-N 3.01Å; W52-K55 PolarHBondContact O-N 3.25Å; N53-K55 VanDerWaalsContact C-N 3.33Å; N53-K55 PolarHBondContact O-N 3.11Å; K55-K58 PolarHBondContact O-N 3.49Å; K55-N59 PolarHBondContact O-N 3.3Å
56K70Confident67.9Low109 Ų109119 Ų11947%0.47456%0.564SS.*Hα-helixtrans-60.9-43.9176.1-83.7-164.1162.1-174.90112.7W52 N53 K58 N59 K60W52-K56 HydrophobicContact CD2-CD 4.16Å; W52-K56 HydrophobicContact CD2-CG 4.39Å; W52-K56 HydrophobicContact CE3-CD 3.99Å; W52-K56 HydrophobicContact CH2-CD 3.65Å; W52-K56 HydrophobicContact CZ2-CD 3.74Å; W52-K56 HydrophobicContact CZ3-CD 3.72Å; W52-K56 PolarHBondContact O-N 3.34Å; N53-K56 PolarHBondContact O-N 3.17Å; K56-K58 VanDerWaalsContact C-N 3.33Å; K56-K58 PolarHBondContact O-N 3.24Å; K56-N59 PolarHBondContact O-N 2.86Å; K56-K60 PolarHBondContact O-N 2.87Å
57K66.8Low66.4Low135 Ų135127.9 Ų127.959%0.58761%0.606SS**Hα-helixtrans-61.1-40.3175.2-72.4-173.9178-1730112.2N53 K60 N61N53-K57 WeakPolarHBondContact O-CG 3.45Å; N53-K57 PolarHBondContact O-N 3.49Å; K57-K60 PolarHBondContact O-N 2.83Å; K57-N61 PolarHBondContact O-N 3.48Å
58K69.1Low65.1Low145 Ų145130.7 Ų130.763%0.6362%0.621SS**Hα-helixtrans-65.1-39.5175.9-75.4-174.4174.4-164.60113.2K54 K55 K56K54-K58 WeakPolarHBondContact O-CG 3.33Å; K54-K58 PolarHBondContact O-N 3.16Å; K54-K58 VanDerWaalsContact O-N 3.15Å; K55-K58 PolarHBondContact O-N 3.49Å; K56-K58 VanDerWaalsContact C-N 3.33Å; K56-K58 PolarHBondContact O-N 3.24Å
59N62.9Low63.5Low121 Ų121128.7 Ų128.765%0.64763%0.632SS**Hα-helixtrans-70.8-34.5175.6-84.610.6000112.3K55 K56 N61 R62K55-N59 PolarHBondContact O-N 3.3Å; K56-N59 PolarHBondContact O-N 2.86Å; N59-N61 VanDerWaalsContact C-N 3.33Å; N59-N61 PolarHBondContact O-N 3.49Å; N59-R62 PolarHBondContact O-N 3.38Å
60K56.7Low62.2Low103 Ų103131.5 Ų131.545%0.44865%0.652SS.*Hα-helixtrans-66.2-33.5178.1-163.7171.6-177.2174.30112.7K56 K57 R62 S63 T68K56-K60 PolarHBondContact O-N 2.87Å; K57-K60 PolarHBondContact O-N 2.83Å; K60-R62 PolarHBondContact O-N 3.45Å; K60-S63 PolarHBondContact O-N 3.22Å; K60-T68 PolarHBondContact NZ-O 3.24Å
61N58.1Low60.9Low138 Ų138129.4 Ų129.474%0.73865%0.651SS**THydrogen-bonded Turntrans-77.7-4.2176.1-739.9000114.2K57 N59K57-N61 PolarHBondContact O-N 3.48Å; N59-N61 VanDerWaalsContact C-N 3.33Å; N59-N61 PolarHBondContact O-N 3.49Å
62R58Low59.5Low222 Ų222126.5 Ų126.584%0.83865%0.648SS**THydrogen-bonded Turntrans-97-5.8174.7-154174.5-177.4177.20.4112.6N59 K60N59-R62 PolarHBondContact O-N 3.38Å; K60-R62 PolarHBondContact O-N 3.45Å
63S58.8Low58.6Low94 Ų94123 Ų12366%0.65765%0.647SS**SBendtrans-128.171.2178.6-59.40000108.5K60 G65K60-S63 PolarHBondContact O-N 3.22Å; S63-G65 PolarHBondContact O-N 3.48Å
64E51.3Low58.5Low192 Ų192125.3 Ų125.390%0.89766%0.662SS**THydrogen-bonded Turntrans-54.9123.7164.1-65.2178.4146.200108.4
65G52Low58Low77 Ų77121.2 Ų121.279%0.79464%0.643SS**THydrogen-bonded Turntrans152.7-26.2165.500000119.1S63S63-G65 PolarHBondContact O-N 3.48Å
66Q49Very low57.6Low179 Ų179119.7 Ų119.784%0.83664%0.638SS**  trans-137.1112-175.8-88.3174.2-12.100114.4T68Q66-T68 PolarHBondContact O-N 3.49Å
67Q42.7Very low57.8Low197 Ų197119.1 Ų119.192%0.92164%0.637SS**  trans-50.1109.6160.2-75.9169.7-38.100110.6
68T52.2Low57.9Low110 Ų110114.8 Ų114.868%0.67562%0.624SS**  trans-144.2119.8139.743.80000106.6K60 Q66 P70K60-T68 PolarHBondContact NZ-O 3.24Å; Q66-T68 PolarHBondContact O-N 3.49Å; T68-P70 WeakPolarHBondContact O-CD 3.26Å
69S46Very low57.9Low120 Ų120108.4 Ų108.484%0.83960%0.597SS**  trans-71.6105.5171.6-59.90000107.6S71S69-S71 PolarHBondContact O-N 3.41Å
70P50.7Low58.5Low93 Ų93104.7 Ų104.760%0.60458%0.58SS**  trans-82.195.2176.316.62.2000106T68 S72T68-P70 WeakPolarHBondContact O-CD 3.26Å; P70-S72 PolarHBondContact O-N 2.75Å; P70-S72 VanDerWaalsContact O-N 3.13Å
71S50.5Low59.3Low65 Ų65105.1 Ų105.146%0.45558%0.582SS.*  trans20.879163.260.40000115.6S69 S73 T74S69-S71 PolarHBondContact O-N 3.41Å; S71-S73 PolarHBondContact O-N 2.82Å; S71-S73 VanDerWaalsContact O-N 3.16Å; S71-T74 VanDerWaalsContact CB-OG1 3.23Å; S71-T74 WeakPolarHBondContact CB-OG1 3.24Å; S71-T74 PolarHBondContact O-N 3.28Å; S71-T74 PolarHBondContact O-OG1 3.33Å; S71-T74 PolarHBondContact OG-OG1 2.87Å
72S52.6Low60Low78 Ų78100.6 Ų100.655%0.54556%0.556SS.*Hα-helixtrans-56.3-28.9169.572.60000111P70 T74 Y75 E76P70-S72 PolarHBondContact O-N 2.75Å; P70-S72 VanDerWaalsContact O-N 3.13Å; S72-T74 PolarHBondContact O-N 3.33Å; S72-Y75 PolarHBondContact O-N 3.35Å; S72-E76 WeakPolarHBondContact O-CB 3.49Å; S72-E76 WeakPolarHBondContact O-CG 3.41Å; S72-E76 PolarHBondContact O-N 3.47Å
73S58.4Low60.7Low74 Ų7494.3 Ų94.352%0.51754%0.537SS..Hα-helixtrans-54.3-47.6177.759.20000113S71 Y75 E77S71-S73 PolarHBondContact O-N 2.82Å; S71-S73 VanDerWaalsContact O-N 3.16Å; S73-Y75 PolarHBondContact O-N 3.35Å; S73-E77 WeakPolarHBondContact O-CB 3.25Å; S73-E77 PolarHBondContact O-N 3.35Å
74T70.8Confident61.6Low83 Ų8398.3 Ų98.351%0.50954%0.537SS..Hα-helixtrans-71.2-35.5-175.58.70000112.7S71 S72 C78S71-T74 VanDerWaalsContact CB-OG1 3.23Å; S71-T74 WeakPolarHBondContact CB-OG1 3.24Å; S71-T74 PolarHBondContact O-N 3.28Å; S71-T74 PolarHBondContact O-OG1 3.33Å; S71-T74 PolarHBondContact OG-OG1 2.87Å; S72-T74 PolarHBondContact O-N 3.33Å; T74-C78 WeakPolarHBondContact O-CB 3.45Å; T74-C78 PolarHBondContact O-N 2.92Å
75Y65.8Low62.5Low57 Ų5794 Ų9422%0.22452%0.517CS..Hα-helixtrans-71.9-48.1177.4172-90.2000111.6I49 N53 S72 S73 E77 C78 C79I49-Y75 HydrophobicContact CG2-CD2 3.85Å; I49-Y75 HydrophobicContact CG2-CE2 3.35Å; N53-Y75 HydrophobicContact CB-CD2 4.09Å; N53-Y75 HydrophobicContact CB-CE2 3.47Å; N53-Y75 VanDerWaalsContact CB-CE2 3.47Å; N53-Y75 VanDerWaalsContact ND2-CE1 3.3Å; N53-Y75 WeakPolarHBondContact ND2-CE1 3.25Å; N53-Y75 WeakPolarHBondContact ND2-CE2 3.49Å; S72-Y75 PolarHBondContact O-N 3.35Å; S73-Y75 PolarHBondContact O-N 3.35Å; Y75-E77 VanDerWaalsContact C-N 3.35Å; Y75-C78 PolarHBondContact O-N 2.82Å; Y75-C79 VanDerWaalsContact CE1-SG 3.53Å; Y75-C79 PolarHBondContact O-N 3.09Å; Y75-C79 PolarHBondContact O-SG 3.44Å
76E67.9Low63.5Low121 Ų12191.5 Ų91.557%0.56549%0.486SS*.Hα-helixtrans-67-39.1-178.9-70.9178.716800110.9S72 C79 S80S72-E76 WeakPolarHBondContact O-CB 3.49Å; S72-E76 WeakPolarHBondContact O-CG 3.41Å; S72-E76 PolarHBondContact O-N 3.47Å; E76-C79 PolarHBondContact O-N 3.24Å; E76-S80 VanDerWaalsContact O-CB 3.25Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.09Å
77E72.8Confident64.6Low98 Ų9887.9 Ų87.946%0.45847%0.472SS..Hα-helixtrans-64.7-40.8173.5-168.7-171.8161.900111.5S73 Y75 S80 K81S73-E77 WeakPolarHBondContact O-CB 3.25Å; S73-E77 PolarHBondContact O-N 3.35Å; Y75-E77 VanDerWaalsContact C-N 3.35Å; E77-S80 PolarHBondContact O-N 2.83Å; E77-K81 HydrophobicContact CG-CD 4.48Å; E77-K81 WeakPolarHBondContact O-CB 3.43Å; E77-K81 VanDerWaalsContact O-CG 3.29Å; E77-K81 WeakPolarHBondContact O-CG 3.47Å; E77-K81 PolarHBondContact O-N 2.83Å; E77-K81 VanDerWaalsContact OE1-CE 3.23Å; E77-K81 WeakPolarHBondContact OE1-CE 3.49Å; E77-K81 IonicContact OE1-NZ 2.69Å; E77-K81 PolarHBondContact OE1-NZ 3.47Å
78C69.7Low66.1Low44 Ų4482.4 Ų82.430%0.29746%0.455SS..Hα-helixtrans-64.1-46.2175.3-175.30000111.7T74 Y75 S80 K81 H82T74-C78 WeakPolarHBondContact O-CB 3.45Å; T74-C78 PolarHBondContact O-N 2.92Å; Y75-C78 PolarHBondContact O-N 2.82Å; C78-S80 PolarHBondContact O-N 3.44Å; C78-K81 PolarHBondContact O-N 3.09Å; C78-H82 PolarHBondContact O-N 2.93Å; C78-H82 PolarHBondContact O-ND1 2.89Å; C78-H82 PolarHBondContact SG-CE1 2.88Å
79C69.9Low66.8Low10 Ų1078.2 Ų78.27%0.06843%0.429CS..Hα-helixtrans-62-44.5175.9-68.50000111.1L46 Y75 E76 K81 H82 E83L46-C79 HydrophobicContact CD2-CB 4.45Å; Y75-C79 VanDerWaalsContact CE1-SG 3.53Å; Y75-C79 PolarHBondContact O-N 3.09Å; Y75-C79 PolarHBondContact O-SG 3.44Å; E76-C79 PolarHBondContact O-N 3.24Å; C79-K81 VanDerWaalsContact C-N 3.35Å; C79-K81 PolarHBondContact O-N 3.43Å; C79-H82 PolarHBondContact O-N 3.45Å; C79-E83 WeakPolarHBondContact O-CB 3.23Å; C79-E83 WeakPolarHBondContact O-CG 3.44Å; C79-E83 PolarHBondContact O-N 3.48Å
80S74.2Confident67.8Low43 Ų4375.8 Ų75.830%0.30140%0.404SS..Hα-helixtrans-61.6-41177.8-170.10000112E76 E77 C78 E83 R84E76-S80 VanDerWaalsContact O-CB 3.25Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.09Å; E77-S80 PolarHBondContact O-N 2.83Å; C78-S80 PolarHBondContact O-N 3.44Å; S80-E83 PolarHBondContact O-N 3.38Å; S80-R84 WeakPolarHBondContact O-CB 3.36Å; S80-R84 VanDerWaalsContact O-CG 3.29Å; S80-R84 WeakPolarHBondContact O-CG 3.19Å; S80-R84 PolarHBondContact O-N 2.83Å
81K74.8Confident68.8Low113 Ų11374.4 Ų74.449%0.49140%0.397SS..Hα-helixtrans-59.9-46.6173.9-77172.9-176.2168.30111.6E77 C78 C79 R84 Q85E77-K81 HydrophobicContact CG-CD 4.48Å; E77-K81 WeakPolarHBondContact O-CB 3.43Å; E77-K81 VanDerWaalsContact O-CG 3.29Å; E77-K81 WeakPolarHBondContact O-CG 3.47Å; E77-K81 PolarHBondContact O-N 2.83Å; E77-K81 VanDerWaalsContact OE1-CE 3.23Å; E77-K81 WeakPolarHBondContact OE1-CE 3.49Å; E77-K81 IonicContact OE1-NZ 2.69Å; E77-K81 PolarHBondContact OE1-NZ 3.47Å; C78-K81 PolarHBondContact O-N 3.09Å; C79-K81 VanDerWaalsContact C-N 3.35Å; C79-K81 PolarHBondContact O-N 3.43Å; K81-R84 PolarHBondContact O-N 3.43Å; K81-Q85 WeakPolarHBondContact O-CG 3.37Å; K81-Q85 PolarHBondContact O-N 2.88Å
82H72.1Confident69.5Low42 Ų4275 Ų7519%0.19439%0.394CS..Hα-helixtrans-69.9-35.9178.9-72.577.1000112.3T42 L46 C78 C79 Q85 L86T42-H82 HydrophobicContact CG2-CB 4.24Å; L46-H82 HydrophobicContact CD1-CB 3.7Å; L46-H82 HydrophobicContact CD2-CB 3.61Å; L46-H82 HydrophobicContact CG-CB 3.56Å; C78-H82 PolarHBondContact O-N 2.93Å; C78-H82 PolarHBondContact O-ND1 2.89Å; C78-H82 PolarHBondContact SG-CE1 2.88Å; C79-H82 PolarHBondContact O-N 3.45Å; H82-Q85 PolarHBondContact O-N 3.23Å; H82-L86 WeakPolarHBondContact O-CG 3.25Å; H82-L86 PolarHBondContact O-N 3.37Å
83E73.3Confident70.1Confident90 Ų9072.2 Ų72.242%0.42137%0.373SS..Hα-helixtrans-65.2-40.4174.3-76.9176.1173.100111.5C79 S80 L86 N87C79-E83 WeakPolarHBondContact O-CB 3.23Å; C79-E83 WeakPolarHBondContact O-CG 3.44Å; C79-E83 PolarHBondContact O-N 3.48Å; S80-E83 PolarHBondContact O-N 3.38Å; E83-L86 PolarHBondContact O-N 3.33Å; E83-N87 WeakPolarHBondContact O-CB 3.45Å; E83-N87 PolarHBondContact O-N 3.04Å; E83-N87 PolarHBondContact O-ND2 3.14Å
84R76.3Confident70.4Confident178 Ų17875.4 Ų75.467%0.67237%0.374SS*.Hα-helixtrans-61.7-42.8171.4-72.3176.6-168.4-173.23.2111.8S80 K81 N87 S88S80-R84 WeakPolarHBondContact O-CB 3.36Å; S80-R84 VanDerWaalsContact O-CG 3.29Å; S80-R84 WeakPolarHBondContact O-CG 3.19Å; S80-R84 PolarHBondContact O-N 2.83Å; K81-R84 PolarHBondContact O-N 3.43Å; R84-N87 PolarHBondContact O-N 3.41Å; R84-S88 WeakPolarHBondContact O-CB 3.19Å; R84-S88 PolarHBondContact O-N 3Å
85Q71Confident70.2Confident103 Ų10377 Ų7748%0.48138%0.379SS..Hα-helixtrans-63.5-42.1175.2-75178.2-26.200112K81 H82 S88 L89K81-Q85 WeakPolarHBondContact O-CG 3.37Å; K81-Q85 PolarHBondContact O-N 2.88Å; H82-Q85 PolarHBondContact O-N 3.23Å; Q85-S88 PolarHBondContact O-N 3.41Å; Q85-L89 WeakPolarHBondContact O-CB 3.48Å; Q85-L89 WeakPolarHBondContact O-CG 3.2Å; Q85-L89 PolarHBondContact O-N 3.24Å
86L71.9Confident70Confident24 Ų2475.8 Ų75.813%0.12638%0.379CS..Hα-helixtrans-61.8-44.2174.2-77.1-175.1000111.7Y39 T42 T43 L46 H82 E83 S88 L89 H90Y39-L86 HydrophobicContact CD2-CD2 3.62Å; Y39-L86 HydrophobicContact CE2-CB 4.43Å; Y39-L86 HydrophobicContact CE2-CD2 3.73Å; Y39-L86 HydrophobicContact CG-CD2 4.23Å; T42-L86 HydrophobicContact CG2-CD2 3.63Å; T42-L86 HydrophobicContact CG2-CG 3.76Å; T43-L86 WeakPolarHBondContact OG1-CD2 3.32Å; L46-L86 HydrophobicContact CD1-CD1 3.24Å; L46-L86 HydrophobicContact CD1-CG 3.9Å; H82-L86 WeakPolarHBondContact O-CG 3.25Å; H82-L86 PolarHBondContact O-N 3.37Å; E83-L86 PolarHBondContact O-N 3.33Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.39Å; L86-L89 PolarHBondContact O-N 2.76Å; L86-H90 WeakPolarHBondContact O-CB 3.3Å; L86-H90 PolarHBondContact O-N 3.44Å
87N73.1Confident69.7Low103 Ų10372 Ų7255%0.55136%0.362SS*.Hα-helixtrans-63.2-40.4177.1-74.4-22.1000111.5E83 R84 H90 S91E83-N87 WeakPolarHBondContact O-CB 3.45Å; E83-N87 PolarHBondContact O-N 3.04Å; E83-N87 PolarHBondContact O-ND2 3.14Å; R84-N87 PolarHBondContact O-N 3.41Å; N87-H90 PolarHBondContact O-N 3.37Å; N87-S91 WeakPolarHBondContact O-CB 3.29Å; N87-S91 PolarHBondContact O-N 3.35Å; N87-S91 PolarHBondContact O-OG 3.33Å; N87-S91 VanDerWaalsContact O-OG 3.09Å
88S73.4Confident69.3Low81 Ų8172.9 Ų72.957%0.56637%0.366SS*.Hα-helixtrans-62.8-46.9174.6-179.60000111.9R84 Q85 L86 H90 S91 L92R84-S88 WeakPolarHBondContact O-CB 3.19Å; R84-S88 PolarHBondContact O-N 3Å; Q85-S88 PolarHBondContact O-N 3.41Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.39Å; S88-H90 VanDerWaalsContact C-N 3.35Å; S88-H90 PolarHBondContact O-N 2.99Å; S88-S91 PolarHBondContact O-N 2.85Å; S88-L92 WeakPolarHBondContact O-CB 3.27Å; S88-L92 PolarHBondContact O-N 3.1Å
89L67.9Low68.8Low23 Ų2372.6 Ų72.612%0.1237%0.371CS..Hα-helixtrans-64.3-39.6176.3-74.1167.6000111.8L38 Y39 Q85 L86 L92 I93L38-L89 HydrophobicContact CB-CD1 3.88Å; L38-L89 HydrophobicContact CB-CD2 3.9Å; L38-L89 HydrophobicContact CD1-CD2 4.15Å; Y39-L89 HydrophobicContact CD2-CB 4.33Å; Q85-L89 WeakPolarHBondContact O-CB 3.48Å; Q85-L89 WeakPolarHBondContact O-CG 3.2Å; Q85-L89 PolarHBondContact O-N 3.24Å; L86-L89 PolarHBondContact O-N 2.76Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 PolarHBondContact O-N 3.28Å; L89-I93 WeakPolarHBondContact O-CB 3.16Å; L89-I93 WeakPolarHBondContact O-CD1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3Å; L89-I93 PolarHBondContact O-N 2.83Å
90H67.7Low68Low68 Ų6873.5 Ų73.532%0.31538%0.375SS..Hα-helixtrans-66.1-43177.8-169.4-178.5000110.9Y39 L86 N87 S88 L92 I93 R94Y39-H90 HydrophobicContact CE2-CB 4.38Å; L86-H90 WeakPolarHBondContact O-CB 3.3Å; L86-H90 PolarHBondContact O-N 3.44Å; N87-H90 PolarHBondContact O-N 3.37Å; S88-H90 VanDerWaalsContact C-N 3.35Å; S88-H90 PolarHBondContact O-N 2.99Å; H90-L92 VanDerWaalsContact C-N 3.35Å; H90-I93 PolarHBondContact O-N 3.43Å; H90-R94 PolarHBondContact CE1-NH2 2.99Å; H90-R94 PolarHBondContact NE2-NE 2.96Å; H90-R94 VanDerWaalsContact NE2-NE 3.17Å; H90-R94 WeakPolarHBondContact O-CB 3.33Å; H90-R94 WeakPolarHBondContact O-CG 3.24Å; H90-R94 PolarHBondContact O-N 3.02Å
91S70.1Confident67Low65 Ų6578.7 Ų78.746%0.45539%0.392SS..Hα-helixtrans-62.2-40.8172.1-67.50000112N87 S88 R94 N95N87-S91 WeakPolarHBondContact O-CB 3.29Å; N87-S91 PolarHBondContact O-N 3.35Å; N87-S91 PolarHBondContact O-OG 3.33Å; N87-S91 VanDerWaalsContact O-OG 3.09Å; S88-S91 PolarHBondContact O-N 2.85Å; S91-R94 PolarHBondContact O-N 2.85Å; S91-N95 WeakPolarHBondContact O-CB 3.38Å; S91-N95 VanDerWaalsContact O-CG 3.24Å; S91-N95 PolarHBondContact O-N 3.49Å
92L65.4Low66Low77 Ų7780 Ų8040%0.40340%0.404SS..Hα-helixtrans-62-48.4175.1-16891.1000110.9T31 A35 S88 L89 H90 R94 N95 C96T31-L92 HydrophobicContact CG2-CD2 4.47Å; A35-L92 HydrophobicContact CB-CD2 3.74Å; S88-L92 WeakPolarHBondContact O-CB 3.27Å; S88-L92 PolarHBondContact O-N 3.1Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 PolarHBondContact O-N 3.28Å; H90-L92 VanDerWaalsContact C-N 3.35Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.29Å; L92-N95 PolarHBondContact O-N 2.77Å; L92-C96 WeakPolarHBondContact O-CB 2.76Å; L92-C96 PolarHBondContact O-N 3.48Å; L92-C96 PolarHBondContact O-SG 2.85Å
93I64.7Low64.9Low19 Ų1984 Ų8410%0.09742%0.418CS..Hα-helixtrans-59.5-45176.6-69.6164.2000110.1L32 A35 V36 Y39 L89 H90 C96 L97L32-I93 HydrophobicContact CD1-CB 4.49Å; L32-I93 HydrophobicContact CD1-CG1 4.42Å; L32-I93 HydrophobicContact CD1-CG2 4.08Å; A35-I93 HydrophobicContact CB-CD1 4.32Å; A35-I93 HydrophobicContact CB-CG1 3.71Å; V36-I93 HydrophobicContact CG2-CD1 4.16Å; V36-I93 HydrophobicContact CG2-CG1 4.43Å; Y39-I93 HydrophobicContact CD2-CD1 4.44Å; Y39-I93 HydrophobicContact CG-CD1 4.25Å; L89-I93 WeakPolarHBondContact O-CB 3.16Å; L89-I93 WeakPolarHBondContact O-CD1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3Å; L89-I93 PolarHBondContact O-N 2.83Å; H90-I93 PolarHBondContact O-N 3.43Å; I93-C96 PolarHBondContact O-N 2.69Å; I93-L97 HydrophobicContact CG2-CD1 3.8Å; I93-L97 HydrophobicContact CG2-CG 4.28Å; I93-L97 WeakPolarHBondContact O-CB 3.39Å; I93-L97 VanDerWaalsContact O-CG 3.23Å; I93-L97 WeakPolarHBondContact O-CG 3.14Å; I93-L97 PolarHBondContact O-N 3.36Å
94R66.5Low63.8Low141 Ų14185.7 Ų85.753%0.53243%0.43SS..Hα-helixtrans-61.2-48.5175.9-79.4-176-173.5-168-2.3111.5H90 S91 L92 C96 L97 H98H90-R94 PolarHBondContact CE1-NH2 2.99Å; H90-R94 PolarHBondContact NE2-NE 2.96Å; H90-R94 VanDerWaalsContact NE2-NE 3.17Å; H90-R94 WeakPolarHBondContact O-CB 3.33Å; H90-R94 WeakPolarHBondContact O-CG 3.24Å; H90-R94 PolarHBondContact O-N 3.02Å; S91-R94 PolarHBondContact O-N 2.85Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.29Å; R94-C96 VanDerWaalsContact C-N 3.31Å; R94-C96 PolarHBondContact O-N 2.93Å; R94-L97 CarbonylContact O-C 3.57Å; R94-L97 PolarHBondContact O-N 3.14Å; R94-L97 VanDerWaalsContact O-N 3.14Å; R94-H98 WeakPolarHBondContact O-CB 3.47Å; R94-H98 PolarHBondContact O-CD2 3.24Å; R94-H98 VanDerWaalsContact O-CD2 3.24Å; R94-H98 PolarHBondContact O-N 2.9Å
95N66.1Low62.5Low117 Ų11785.1 Ų85.163%0.62644%0.437SS*.Hα-helixtrans-61.3-41.4179-73.5-6.3000111.5S91 L92 H98 G99S91-N95 WeakPolarHBondContact O-CB 3.38Å; S91-N95 VanDerWaalsContact O-CG 3.24Å; S91-N95 PolarHBondContact O-N 3.49Å; L92-N95 PolarHBondContact O-N 2.77Å; N95-H98 PolarHBondContact O-N 2.83Å; N95-G99 PolarHBondContact O-N 3.4Å
96C61.1Low61.5Low31 Ų3184.9 Ų84.921%0.20945%0.453CS..Hα-helixtrans-60.2-50172.1-69.50000110.8L32 L92 I93 R94 H98 G99 L100L32-C96 HydrophobicContact CD1-CB 3.97Å; L92-C96 WeakPolarHBondContact O-CB 2.76Å; L92-C96 PolarHBondContact O-N 3.48Å; L92-C96 PolarHBondContact O-SG 2.85Å; I93-C96 PolarHBondContact O-N 2.69Å; R94-C96 VanDerWaalsContact C-N 3.31Å; R94-C96 PolarHBondContact O-N 2.93Å; C96-H98 VanDerWaalsContact C-N 3.34Å; C96-H98 PolarHBondContact O-N 3Å; C96-G99 PolarHBondContact O-N 2.94Å; C96-L100 WeakPolarHBondContact O-CB 3.37Å; C96-L100 VanDerWaalsContact O-CD1 3.23Å; C96-L100 WeakPolarHBondContact O-CD1 3.32Å; C96-L100 WeakPolarHBondContact O-CG 3.11Å; C96-L100 PolarHBondContact O-N 3.12Å
97L62.3Low60.5Low43 Ų4386.8 Ų86.823%0.22547%0.466CS..Hα-helixtrans-63.2-36.1179.6-73.1173.4000113L32 I93 R94 L100 K101 W111L32-L97 HydrophobicContact CD2-CD2 4.4Å; I93-L97 HydrophobicContact CG2-CD1 3.8Å; I93-L97 HydrophobicContact CG2-CG 4.28Å; I93-L97 WeakPolarHBondContact O-CB 3.39Å; I93-L97 VanDerWaalsContact O-CG 3.23Å; I93-L97 WeakPolarHBondContact O-CG 3.14Å; I93-L97 PolarHBondContact O-N 3.36Å; R94-L97 CarbonylContact O-C 3.57Å; R94-L97 PolarHBondContact O-N 3.14Å; R94-L97 VanDerWaalsContact O-N 3.14Å; L97-L100 PolarHBondContact O-N 3.39Å; L97-K101 WeakPolarHBondContact O-CG 3.42Å; L97-K101 PolarHBondContact O-N 3.45Å; L97-W111 HydrophobicContact CD2-CZ3 4.19Å
98H63.2Low59.4Low116 Ų11684.3 Ų84.354%0.53746%0.46SS..Hα-helixtrans-66.4-49.5175-90.1-92.2000111R94 N95 C96 L100 K101 D102R94-H98 WeakPolarHBondContact O-CB 3.47Å; R94-H98 PolarHBondContact O-CD2 3.24Å; R94-H98 VanDerWaalsContact O-CD2 3.24Å; R94-H98 PolarHBondContact O-N 2.9Å; N95-H98 PolarHBondContact O-N 2.83Å; C96-H98 VanDerWaalsContact C-N 3.34Å; C96-H98 PolarHBondContact O-N 3Å; H98-L100 PolarHBondContact O-N 2.99Å; H98-L100 VanDerWaalsContact O-N 3.14Å; H98-K101 WeakPolarHBondContact O-CB 3.46Å; H98-K101 PolarHBondContact O-N 2.71Å; H98-D102 PolarHBondContact O-N 3.14Å
99G59.1Low58.4Low38 Ų3886.5 Ų86.539%0.39248%0.475SS..Hα-helixtrans-62.4-22.2175.800000113.5N95 C96 Y103N95-G99 PolarHBondContact O-N 3.4Å; C96-G99 PolarHBondContact O-N 2.94Å; G99-Y103 WeakPolarHBondContact O-CD2 3.23Å
100L54.9Low57.5Low29 Ų2987.7 Ų87.715%0.15249%0.493CS..Hα-helixtrans-83.2-27173.6-72.5159.2000113.4L32 C96 L97 H98 D102 Y103 W111L32-L100 HydrophobicContact CD2-CD1 4.06Å; C96-L100 WeakPolarHBondContact O-CB 3.37Å; C96-L100 VanDerWaalsContact O-CD1 3.23Å; C96-L100 WeakPolarHBondContact O-CD1 3.32Å; C96-L100 WeakPolarHBondContact O-CG 3.11Å; C96-L100 PolarHBondContact O-N 3.12Å; L97-L100 PolarHBondContact O-N 3.39Å; H98-L100 PolarHBondContact O-N 2.99Å; H98-L100 VanDerWaalsContact O-N 3.14Å; L100-D102 VanDerWaalsContact C-N 3.28Å; L100-Y103 WeakPolarHBondContact O-CB 3.06Å; L100-Y103 PolarHBondContact O-N 3.16Å; L100-Y103 VanDerWaalsContact O-N 3.16Å; L100-W111 HydrophobicContact CB-CH2 4.42Å; L100-W111 HydrophobicContact CD1-CH2 3.12Å; L100-W111 HydrophobicContact CD1-CZ2 3.94Å; L100-W111 HydrophobicContact CD1-CZ3 3.58Å; L100-W111 HydrophobicContact CD2-CH2 3.79Å; L100-W111 HydrophobicContact CD2-CZ2 3.68Å; L100-W111 HydrophobicContact CG-CH2 3.95Å; L100-W111 HydrophobicContact CG-CZ2 4.31Å
101K52.9Low56.5Low151 Ų15186.3 Ų86.366%0.65749%0.485SS*.Hα-helixtrans-69.1-29173.2-79.3-177.8176.8-175.10112.3L97 H98 Y103L97-K101 WeakPolarHBondContact O-CG 3.42Å; L97-K101 PolarHBondContact O-N 3.45Å; H98-K101 WeakPolarHBondContact O-CB 3.46Å; H98-K101 PolarHBondContact O-N 2.71Å; K101-Y103 VanDerWaalsContact C-N 3.25Å
102D52.9Low55.2Low141 Ų14190.5 Ų90.575%0.75450%0.499SS*.SBendtrans-75.6-17.6172.2-62.1-33.6000112.1H98 L100 D104H98-D102 PolarHBondContact O-N 3.14Å; L100-D102 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 3.34Å; D102-D104 VanDerWaalsContact O-N 3.14Å
103Y49.8Very low54.7Low125 Ų12592.7 Ų92.749%0.4951%0.511SS..SBendtrans-84.385.6170.1-95.8-99.4000110G99 L100 K101G99-Y103 WeakPolarHBondContact O-CD2 3.23Å; L100-Y103 WeakPolarHBondContact O-CB 3.06Å; L100-Y103 PolarHBondContact O-N 3.16Å; L100-Y103 VanDerWaalsContact O-N 3.16Å; K101-Y103 VanDerWaalsContact C-N 3.25Å
104D50.6Low53.9Low127 Ų12795.1 Ų95.168%0.67952%0.523SS*.  trans-8.6137.9166.2-158.88.4000117.8D102 A106D102-D104 PolarHBondContact O-N 3.34Å; D102-D104 VanDerWaalsContact O-N 3.14Å; D104-A106 PolarHBondContact O-N 3.27Å
105M48.5Very low53Low165 Ų16592.6 Ų92.681%0.81352%0.518SS*.G310 helixtrans-47.82-169.6-82-95.4155.400118.3T107M105-T107 VanDerWaalsContact C-N 3.33Å; M105-T107 PolarHBondContact O-N 3.26Å
106A49Very low52.4Low98 Ų9890.2 Ų90.281%0.8151%0.507SS*.G310 helixtrans-75.7-12.1-174.900000115.1D104D104-A106 PolarHBondContact O-N 3.27Å
107T52Low52Low64 Ų6494.3 Ų94.339%0.39353%0.527SS..G310 helixtrans-109.97.7-177.9-26.10000113.6F25 M105 S109F25-T107 HydrophobicContact CE2-CG2 3.83Å; F25-T107 HydrophobicContact CZ-CG2 3.68Å; M105-T107 VanDerWaalsContact C-N 3.33Å; M105-T107 PolarHBondContact O-N 3.26Å; T107-S109 PolarHBondContact O-N 2.88Å
108A48.7Very low51.4Low52 Ų5295.7 Ų95.743%0.4354%0.544SS..THydrogen-bonded Turntrans-63.1-13.5-164.500000116.7G110 W111A108-G110 VanDerWaalsContact C-N 3.32Å; A108-G110 PolarHBondContact O-N 3.24Å; A108-W111 PolarHBondContact O-N 3.17Å
109S52.2Low50.9Low126 Ų12695.7 Ų95.788%0.88155%0.548SS*.THydrogen-bonded Turntrans-69.3-23.7-17855.30000114.4T107T107-S109 PolarHBondContact O-N 2.88Å
110G49.4Very low50.6Low48 Ų48103.7 Ų103.750%0.49557%0.566SS.*THydrogen-bonded Turntrans-92.7-16.4175.100000115A108A108-G110 VanDerWaalsContact C-N 3.32Å; A108-G110 PolarHBondContact O-N 3.24Å
111W47.4Very low50.3Low39 Ų39110.8 Ų110.815%0.14860%0.598CS.*THydrogen-bonded Turntrans-87.3-25.2-166.9-76.988.8000114.6N29 L32 L97 L100 A108 N113 I114 Q115N29-W111 WeakPolarHBondContact OD1-CH2 3.25Å; N29-W111 WeakPolarHBondContact OD1-CZ2 2.99Å; L32-W111 HydrophobicContact CD2-CH2 3.76Å; L32-W111 HydrophobicContact CD2-CZ3 3.7Å; L97-W111 HydrophobicContact CD2-CZ3 4.19Å; L100-W111 HydrophobicContact CB-CH2 4.42Å; L100-W111 HydrophobicContact CD1-CH2 3.12Å; L100-W111 HydrophobicContact CD1-CZ2 3.94Å; L100-W111 HydrophobicContact CD1-CZ3 3.58Å; L100-W111 HydrophobicContact CD2-CH2 3.79Å; L100-W111 HydrophobicContact CD2-CZ2 3.68Å; L100-W111 HydrophobicContact CG-CH2 3.95Å; L100-W111 HydrophobicContact CG-CZ2 4.31Å; A108-W111 PolarHBondContact O-N 3.17Å; W111-N113 PolarHBondContact O-N 3.22Å; W111-N113 VanDerWaalsContact O-N 3.16Å; W111-I114 PolarHBondContact O-N 3.34Å; W111-Q115 PolarHBondContact O-N 3.45Å
112M43.5Very low49.8Very low154 Ų154114.8 Ų114.876%0.75962%0.619SS**Hα-helixtrans-53.7-37.1175.5-111.2179.3172.300111.3I114 T116M112-I114 PolarHBondContact O-N 3.34Å; M112-T116 WeakPolarHBondContact O-CB 3.48Å; M112-T116 PolarHBondContact O-N 3.15Å; M112-T116 VanDerWaalsContact O-N 3.16Å; M112-T116 PolarHBondContact O-OG1 2.91Å
113N53.1Low49.6Very low122 Ų122113.5 Ų113.565%0.65261%0.612SS**Hα-helixtrans-72.9-30.4-175.2-124.1-10.5000114.1W111 L117W111-N113 PolarHBondContact O-N 3.22Å; W111-N113 VanDerWaalsContact O-N 3.16Å; N113-L117 PolarHBondContact O-N 3.24Å
114I48.3Very low49.6Very low70 Ų70112.9 Ų112.936%0.35962%0.619SS.*Hα-helixtrans-81.1-40.6-178.4-62.1178.5000110.9W111 M112 T116 L117 A118W111-I114 PolarHBondContact O-N 3.34Å; M112-I114 PolarHBondContact O-N 3.34Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 2.92Å; I114-L117 WeakPolarHBondContact O-CB 3.47Å; I114-L117 PolarHBondContact O-N 2.85Å; I114-L117 VanDerWaalsContact O-N 3.16Å; I114-A118 PolarHBondContact O-N 3.39Å; I114-A118 VanDerWaalsContact O-N 3.11Å
115Q49.2Very low49.6Very low89 Ų89112.1 Ų112.142%0.41662%0.615SS.*Hα-helixtrans-64.1-38.9174.3-71.6-174.1-11.300111.4W111 L117 A118 L119W111-Q115 PolarHBondContact O-N 3.45Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 2.8Å; Q115-A118 PolarHBondContact O-N 3.28Å; Q115-L119 WeakPolarHBondContact O-CB 3.35Å; Q115-L119 PolarHBondContact O-N 2.93Å
116T52.8Low49.6Very low66 Ų66109 Ų10941%0.40560%0.604SS.*Hα-helixtrans-65.4-30.7173.6-54.20000112.8M112 I114M112-T116 WeakPolarHBondContact O-CB 3.48Å; M112-T116 PolarHBondContact O-N 3.15Å; M112-T116 VanDerWaalsContact O-N 3.16Å; M112-T116 PolarHBondContact O-OG1 2.91Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 2.92Å
117L52Low49.7Very low118 Ų118109.7 Ų109.762%0.61859%0.591SS**Hα-helixtrans-70.8-34.2174.6-122.493.5000112.7N113 I114 Q115N113-L117 PolarHBondContact O-N 3.24Å; I114-L117 WeakPolarHBondContact O-CB 3.47Å; I114-L117 PolarHBondContact O-N 2.85Å; I114-L117 VanDerWaalsContact O-N 3.16Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 2.8Å
118A49.9Very low49.5Very low71 Ų71112.7 Ų112.759%0.58760%0.604SS**Hα-helixtrans-80.7-32.2-179.400000113.2I114 Q115I114-A118 PolarHBondContact O-N 3.39Å; I114-A118 VanDerWaalsContact O-N 3.11Å; Q115-A118 PolarHBondContact O-N 3.28Å
119L53.2Low49.6Very low117 Ų117117.1 Ų117.161%0.61362%0.617SS**Hα-helixtrans-85-11-178-82.9155.7000114.8Q115 H121Q115-L119 WeakPolarHBondContact O-CB 3.35Å; Q115-L119 PolarHBondContact O-N 2.93Å; L119-H121 PolarHBondContact O-N 2.79Å; L119-H121 VanDerWaalsContact O-N 3.13Å
120R52.1Low49.4Very low206 Ų206116.4 Ų116.478%0.77760%0.596SS**THydrogen-bonded Turntrans-75.311177.3-91.7-173.4-175.3-163.32.9114.9
121H48Very low49.4Very low177 Ų177122.1 Ų122.182%0.81961%0.605SS**THydrogen-bonded Turntrans-130.912.1-173.2-102-68.6000115.7L119L119-H121 PolarHBondContact O-N 2.79Å; L119-H121 VanDerWaalsContact O-N 3.13Å
122E42.8Very low49.5Very low236 Ų236129.6 Ų129.6100%1.10365%0.646SS**  trans-88.40156.3-72.7-175.2157.900110

Retrieved 122 of 122 residues in 94.1 ms (Link to these results)