A0A077ZMH5_TRITR Loading...

Protein NDRG3

AlphaFold DB , UniProt , Accession A0A077ZMH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 233 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
1M27.2Very low45.7Very low234 Ų23496.8 Ų96.8100%1.15353%0.526SS*.  091.40-73.1172.8153.700107.4
2S27.3Very low48.1Very low114 Ų11496.5 Ų96.580%0.79751%0.513SS*.  55.1106.9100.1-150.40000112.9
3K30.5Very low49.8Very low183 Ų18392.2 Ų92.280%0.79649%0.493SS*.  trans16.8105164.1-68.2176.8176.4-179.60115.3G5K3-G5 PolarHBondContact O-N 3.31Å
4I38.4Very low51.8Low134 Ų13499.9 Ų99.969%0.68752%0.52SS*.SBendtrans-62.43.2151.3-75.1163.4000111.4G6 F7I4-G6 PolarHBondContact O-N 2.93Å; I4-F7 PolarHBondContact O-N 2.75Å
5G36.3Very low53.8Low47 Ų47106.8 Ų106.849%0.48554%0.537SS..  trans-63.732.8157.900000114.5K3K3-G5 PolarHBondContact O-N 3.31Å
6G45.5Very low55.9Low31 Ų31101.9 Ų101.932%0.3251%0.514SS..  trans-151.850.5178.100000108.9I4 L8I4-G6 PolarHBondContact O-N 2.93Å; G6-L8 PolarHBondContact O-N 3.07Å; G6-L8 VanDerWaalsContact O-N 3.11Å
7F54.8Low57.8Low31 Ų31104.5 Ų104.514%0.13652%0.524CS..  trans-44.9120.1163.4-160.2-103.7000107.4I4 G9 L10 K11 L19 L21 L103 V112I4-F7 PolarHBondContact O-N 2.75Å; F7-G9 PolarHBondContact O-N 3.33Å; F7-G9 VanDerWaalsContact O-N 3.12Å; F7-L10 HydrophobicContact CB-CB 4.04Å; F7-L10 HydrophobicContact CB-CD1 3.51Å; F7-L10 HydrophobicContact CB-CG 3.61Å; F7-L10 HydrophobicContact CD1-CD1 4.33Å; F7-L10 HydrophobicContact CD1-CG 3.79Å; F7-L10 HydrophobicContact CG-CD1 4.18Å; F7-L10 HydrophobicContact CG-CG 4.08Å; F7-L10 WeakPolarHBondContact O-CA 3.14Å; F7-L10 WeakPolarHBondContact O-CB 3.43Å; F7-L10 PolarHBondContact O-N 2.93Å; F7-K11 PolarHBondContact O-N 3.48Å; F7-L19 HydrophobicContact CD1-CD2 4.14Å; F7-L19 HydrophobicContact CE1-CD2 3.06Å; F7-L19 HydrophobicContact CE1-CG 4.47Å; F7-L19 HydrophobicContact CE2-CD2 4.19Å; F7-L19 HydrophobicContact CZ-CD2 3.13Å; F7-L19 HydrophobicContact CZ-CG 4.42Å; F7-L21 HydrophobicContact CE2-CD1 4.48Å; F7-L21 HydrophobicContact CE2-CD2 3.89Å; F7-L21 HydrophobicContact CZ-CD1 3.91Å; F7-L21 HydrophobicContact CZ-CD2 3.81Å; F7-L21 HydrophobicContact CZ-CG 4.45Å; F7-L103 HydrophobicContact CD2-CD1 4.11Å; F7-L103 HydrophobicContact CE2-CD1 4.16Å; F7-V112 HydrophobicContact CE1-CG2 4.13Å
8L57.8Low59.7Low116 Ų116100.2 Ų100.261%0.60751%0.507SS*.Hα-helixtrans-57-34.3-171.1-74.1169000111.6G6 L10 K11 Y12 V16G6-L8 PolarHBondContact O-N 3.07Å; G6-L8 VanDerWaalsContact O-N 3.11Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L10 PolarHBondContact O-N 3.49Å; L8-K11 PolarHBondContact O-N 3.06Å; L8-Y12 HydrophobicContact CD2-CD2 3.99Å; L8-Y12 HydrophobicContact CD2-CE2 4.24Å; L8-Y12 CarbonylContact O-C 3.6Å; L8-Y12 WeakPolarHBondContact O-CA 3.09Å; L8-Y12 PolarHBondContact O-N 2.94Å; L8-V16 HydrophobicContact CB-CG2 4.29Å
9G57.4Low61.4Low1 Ų196.6 Ų96.61%0.0149%0.489CS..Hα-helixtrans-64-34.5173.100000113.8F7 P13F7-G9 PolarHBondContact O-N 3.33Å; F7-G9 VanDerWaalsContact O-N 3.12Å; G9-P13 WeakPolarHBondContact O-CA 3.27Å; G9-P13 WeakPolarHBondContact O-CB 3.39Å
10L61.5Low63.1Low47 Ų4795.1 Ų95.125%0.24648%0.482CS..Hα-helixtrans-75.2-37.3174.7-59.3175.5000111.6F7 L8 L103 V105 T111 V112F7-L10 HydrophobicContact CB-CB 4.04Å; F7-L10 HydrophobicContact CB-CD1 3.51Å; F7-L10 HydrophobicContact CB-CG 3.61Å; F7-L10 HydrophobicContact CD1-CD1 4.33Å; F7-L10 HydrophobicContact CD1-CG 3.79Å; F7-L10 HydrophobicContact CG-CD1 4.18Å; F7-L10 HydrophobicContact CG-CG 4.08Å; F7-L10 WeakPolarHBondContact O-CA 3.14Å; F7-L10 WeakPolarHBondContact O-CB 3.43Å; F7-L10 PolarHBondContact O-N 2.93Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L10 PolarHBondContact O-N 3.49Å; L10-L103 HydrophobicContact CD1-CB 4.33Å; L10-V105 HydrophobicContact CD2-CG2 4.31Å; L10-T111 HydrophobicContact CD2-CG2 4.44Å; L10-T111 WeakPolarHBondContact CD2-O 3.14Å; L10-T111 WeakPolarHBondContact CD2-OG1 3.35Å; L10-V112 HydrophobicContact CD2-CG2 3.45Å; L10-V112 VanDerWaalsContact CD2-CG2 3.45Å; L10-V112 HydrophobicContact CG-CG2 4.34Å
11K66.5Low64.6Low127 Ų12791.4 Ų91.455%0.55246%0.463SS*.Hα-helixtrans-84.5-31.5-173.7-166.3176.8179.6-168.50113F7 L8F7-K11 PolarHBondContact O-N 3.48Å; L8-K11 PolarHBondContact O-N 3.06Å
12Y73.6Confident67.9Low93 Ų9382.9 Ų82.937%0.36542%0.424SS..  trans-141.165-177.3-53.7-71.7000110.3L8 K14 R15L8-Y12 HydrophobicContact CD2-CD2 3.99Å; L8-Y12 HydrophobicContact CD2-CE2 4.24Å; L8-Y12 CarbonylContact O-C 3.6Å; L8-Y12 WeakPolarHBondContact O-CA 3.09Å; L8-Y12 PolarHBondContact O-N 2.94Å; Y12-K14 PolarHBondContact O-N 3.42Å; Y12-K14 VanDerWaalsContact O-N 3.13Å; Y12-R15 PolarHBondContact O-N 2.94Å
13P71.1Confident71.1Confident40 Ų4078.7 Ų78.726%0.2639%0.393SS..G310 helixtrans-55.6-36.8-17420.1-32.4000112.8G9 R15 V16 E113G9-P13 WeakPolarHBondContact O-CA 3.27Å; G9-P13 WeakPolarHBondContact O-CB 3.39Å; P13-R15 PolarHBondContact O-N 3.3Å; P13-R15 VanDerWaalsContact O-N 3.14Å; P13-V16 PolarHBondContact O-N 3.13Å; P13-E113 HydrophobicContact CB-CB 4.4Å; P13-E113 HydrophobicContact CB-CG 4.28Å
14K77Confident74.2Confident200 Ų20071.1 Ų71.187%0.8736%0.362SS*.G310 helixtrans-72-1.7178-58.8-172.1178.4-174.90115.5Y12Y12-K14 PolarHBondContact O-N 3.42Å; Y12-K14 VanDerWaalsContact O-N 3.13Å
15R82.2Confident76.8Confident204 Ų20465.7 Ų65.777%0.7734%0.336SS*.G310 helixtrans-111.70.1180-62.6-171.2179.8-164.6-1.7113Y12 P13Y12-R15 PolarHBondContact O-N 2.94Å; P13-R15 PolarHBondContact O-N 3.3Å; P13-R15 VanDerWaalsContact O-N 3.14Å
16V87.2Confident79.4Confident29 Ų2963.5 Ų63.518%0.17631%0.313CS..  trans-120.9110.3-178.1-177.60000107L8 P13 A18 C114L8-V16 HydrophobicContact CB-CG2 4.29Å; P13-V16 PolarHBondContact O-N 3.13Å; V16-A18 WeakPolarHBondContact CG1-O 3.09Å; V16-C114 HydrophobicContact CG1-CB 4.43Å; V16-C114 VanDerWaalsContact O-CB 3.26Å; V16-C114 WeakPolarHBondContact O-CB 3.43Å
17E88.5Confident81.6Confident146 Ų14663.2 Ų63.268%0.68231%0.305SS*.SBendtrans-77.7-38.5179.2-65.9-176.4159.800111.4P115 H175E17-P115 WeakPolarHBondContact O-CD 3.43Å; E17-H175 IonicContact OE2-CE1 2.75Å; E17-H175 PolarHBondContact OE2-CE1 3.42Å; E17-H175 IonicContact OE2-ND1 3.14Å; E17-H175 PolarHBondContact OE2-ND1 2.92Å; E17-H175 IonicContact OE2-NE2 2.93Å
18A91.5Very high83.5Confident26 Ų2664.8 Ų64.822%0.21532%0.32CS..  trans-151.8159.6177.900000110.1V16 F169 L170V16-A18 WeakPolarHBondContact CG1-O 3.09Å; A18-F169 HydrophobicContact CB-CE1 3.78Å; A18-F169 HydrophobicContact CB-CZ 3.92Å; A18-L170 HydrophobicContact CB-CD2 4.4Å
19L92.6Very high85.2Confident32 Ų3260.5 Ų60.517%0.16830%0.301CS..EExtended strand (participates in β ladder)trans-130.7135.5179.8-171.166.2000112F7 L21 P115 V116 L117F7-L19 HydrophobicContact CD1-CD2 4.14Å; F7-L19 HydrophobicContact CE1-CD2 3.06Å; F7-L19 HydrophobicContact CE1-CG 4.47Å; F7-L19 HydrophobicContact CE2-CD2 4.19Å; F7-L19 HydrophobicContact CZ-CD2 3.13Å; F7-L19 HydrophobicContact CZ-CG 4.42Å; L19-L21 HydrophobicContact CD1-CD2 4.14Å; L19-L21 HydrophobicContact CD2-CD1 4.04Å; L19-L21 HydrophobicContact CD2-CD2 3.68Å; L19-L21 HydrophobicContact CD2-CG 3.91Å; L19-L21 HydrophobicContact CG-CD2 3.72Å; L19-L21 HydrophobicContact CG-CG 3.93Å; L19-P115 PolarHBondContact N-O 2.87Å; L19-V116 HydrophobicContact CB-CG1 4.44Å; L19-V116 HydrophobicContact CB-CG2 4.32Å; L19-V116 HydrophobicContact CD2-CG1 4.42Å; L19-V116 HydrophobicContact CD2-CG2 4.47Å; L19-V116 CarbonylContact O-C 3.51Å; L19-V116 WeakPolarHBondContact O-CA 3.13Å; L19-L117 PolarHBondContact O-N 3.39Å
20I95.2Very high86.9Confident67 Ų6762.3 Ų62.334%0.34432%0.32SS..EExtended strand (participates in β ladder)trans-118.9121.5175.2-58.6159000107.8L117 L119 I166 F169I20-L117 CarbonylContact C-O 3.56Å; I20-L117 WeakPolarHBondContact CA-O 3.5Å; I20-L117 HydrophobicContact CG1-CB 4.32Å; I20-L117 HydrophobicContact CG1-CD2 4.45Å; I20-L117 HydrophobicContact CG2-CD2 4.36Å; I20-L119 HydrophobicContact CG2-CD1 4.17Å; I20-I166 HydrophobicContact CD1-CB 4.45Å; I20-I166 HydrophobicContact CD1-CD1 4.21Å; I20-I166 HydrophobicContact CD1-CG1 3.94Å; I20-I166 HydrophobicContact CD1-CG2 3.8Å; I20-I166 HydrophobicContact CG2-CD1 4.36Å; I20-I166 HydrophobicContact CG2-CG1 4.3Å; I20-F169 HydrophobicContact CG1-CD1 4.24Å; I20-F169 HydrophobicContact CG1-CE1 4.1Å
21L95.4Very high88.4Confident18 Ų1869.4 Ų69.49%0.09434%0.344CS..EExtended strand (participates in β ladder)trans-118.1126.8-173.9-63.3-176.5000109.6F7 L19 C24 V116 L117 Q118 L119 L133F7-L21 HydrophobicContact CE2-CD1 4.48Å; F7-L21 HydrophobicContact CE2-CD2 3.89Å; F7-L21 HydrophobicContact CZ-CD1 3.91Å; F7-L21 HydrophobicContact CZ-CD2 3.81Å; F7-L21 HydrophobicContact CZ-CG 4.45Å; L19-L21 HydrophobicContact CD1-CD2 4.14Å; L19-L21 HydrophobicContact CD2-CD1 4.04Å; L19-L21 HydrophobicContact CD2-CD2 3.68Å; L19-L21 HydrophobicContact CD2-CG 3.91Å; L19-L21 HydrophobicContact CG-CD2 3.72Å; L19-L21 HydrophobicContact CG-CG 3.93Å; L21-C24 HydrophobicContact CB-CB 3.91Å; L21-C24 HydrophobicContact CD1-CB 4.28Å; L21-C24 HydrophobicContact CG-CB 4.48Å; L21-V116 HydrophobicContact CD1-CG1 3.58Å; L21-V116 HydrophobicContact CG-CG1 3.97Å; L21-L117 PolarHBondContact N-O 3.15Å; L21-Q118 HydrophobicContact CB-CG 4.37Å; L21-Q118 HydrophobicContact CD1-CG 4.34Å; L21-Q118 CarbonylContact O-C 3.6Å; L21-Q118 WeakPolarHBondContact O-CA 3.47Å; L21-L119 PolarHBondContact O-N 3.3Å; L21-L133 HydrophobicContact CD1-CD2 3.73Å
22V96.1Very high89.7Confident54 Ų5469.5 Ų69.533%0.32735%0.349SS..EExtended strand (participates in β ladder)trans-117122.2178.5-1770000109C24 L119 V154 L155V22-C24 PolarHBondContact O-N 2.95Å; V22-C24 VanDerWaalsContact O-N 3.15Å; V22-L119 WeakPolarHBondContact CA-O 3.49Å; V22-L119 HydrophobicContact CG2-CB 4.33Å; V22-L119 HydrophobicContact CG2-CD1 4.35Å; V22-V154 HydrophobicContact CG1-CG2 3.51Å; V22-L155 HydrophobicContact CG2-CD2 4.41Å
23N94.4Very high90.6Very high27 Ų2767.4 Ų67.414%0.14434%0.343CS..SBendtrans47.341.2-177.7-58.3-57.9000113.3L119 V120 S124 H126 G152N23-L119 PolarHBondContact N-O 2.77Å; N23-V120 WeakPolarHBondContact OD1-CG2 3.32Å; N23-S124 WeakPolarHBondContact OD1-CB 3.33Å; N23-S124 PolarHBondContact OD1-OG 3.12Å; N23-H126 HydrophobicContact CB-CB 4.19Å; N23-G152 PolarHBondContact ND2-O 3.48Å
24C94.5Very high91.7Very high23 Ų2370.6 Ų70.616%0.15535%0.349CS..  trans-73.7132.5-171.4-171.90000111.8L21 V22 L133L21-C24 HydrophobicContact CB-CB 3.91Å; L21-C24 HydrophobicContact CD1-CB 4.28Å; L21-C24 HydrophobicContact CG-CB 4.48Å; V22-C24 PolarHBondContact O-N 2.95Å; V22-C24 VanDerWaalsContact O-N 3.15Å; C24-L133 HydrophobicContact CB-CD2 3.79Å
25V93.3Very high92.5Very high21 Ų2162.6 Ų62.613%0.12732%0.324CS..  trans-108.2122.1173.5-178.10000109Y97 H126 D129V25-Y97 WeakPolarHBondContact CG2-OH 3.24Å; V25-H126 HydrophobicContact CG2-CB 4.42Å; V25-D129 HydrophobicContact CB-CB 4.14Å; V25-D129 HydrophobicContact CG1-CB 3.99Å; V25-D129 HydrophobicContact CG2-CB 3.71Å
26C91.1Very high93Very high1 Ų160.5 Ų60.51%0.00732%0.317CS..  trans-103.6-6.2-176.7730000114.6D102 L103 L133C26-D102 CarbonylContact O-C 3.55Å; C26-D102 WeakPolarHBondContact O-CA 3.42Å; C26-L103 HydrophobicContact CB-CB 4.37Å; C26-L103 HydrophobicContact CB-CD1 3.9Å; C26-L103 HydrophobicContact CB-CG 4.25Å; C26-L103 PolarHBondContact O-N 2.75Å; C26-L133 HydrophobicContact CB-CB 4.05Å; C26-L133 HydrophobicContact CB-CD1 3.74Å; C26-L133 HydrophobicContact CB-CG 4.3Å
27T93Very high93.4Very high25 Ų2559.2 Ų59.215%0.15331%0.309CS..SBendtrans-99.9162.8-174.655.90000112.1R100 E132T27-R100 WeakPolarHBondContact O-CD 3.28Å; T27-R100 PolarHBondContact O-NE 3.46Å; T27-E132 HydrophobicContact CG2-CG 3.86Å
28S94.1Very high93.7Very high63 Ų6355.8 Ų55.844%0.44129%0.292SS..PPolyproline II helixtrans-70.9153168.2-55.90000110.7G30 D102S28-G30 PolarHBondContact O-N 3.44Å; S28-D102 PolarHBondContact OG-N 3.05Å
29A93Very high93.9Very high26 Ų2656.6 Ų56.622%0.21530%0.299CS..PPolyproline II helixtrans-60.7131.4178.200000112E33 L98A29-E33 WeakPolarHBondContact CA-OE2 3.36Å; A29-L98 HydrophobicContact CB-CD1 3.55Å
30G92.5Very high94Very high40 Ų4055.7 Ų55.741%0.41229%0.294SS..PPolyproline II helixtrans-72.1163.6174.700000112.3S28 I32 E33 W34S28-G30 PolarHBondContact O-N 3.44Å; G30-I32 PolarHBondContact O-N 3.29Å; G30-E33 PolarHBondContact O-N 3.02Å; G30-W34 WeakPolarHBondContact O-CB 3.41Å; G30-W34 PolarHBondContact O-N 2.85Å
31W94Very high94Very high196 Ų19652.9 Ų52.974%0.74228%0.279SS*.Hα-helixtrans-59-42.6-178-180-109000113.6W34 G35W31-W34 HydrophobicContact CD2-CE3 4.49Å; W31-W34 HydrophobicContact CE3-CD2 4.47Å; W31-W34 AromaticContact CE3-CE3 4Å; W31-W34 HydrophobicContact CE3-CE3 4Å; W31-W34 HydrophobicContact CE3-CZ3 4.44Å; W31-W34 AromaticContact CH2-CE3 3.98Å; W31-W34 HydrophobicContact CH2-CE3 3.98Å; W31-W34 HydrophobicContact CH2-CH2 4.18Å; W31-W34 AromaticContact CH2-CZ3 3.58Å; W31-W34 HydrophobicContact CH2-CZ3 3.58Å; W31-W34 HydrophobicContact CZ2-CE3 4.46Å; W31-W34 HydrophobicContact CZ2-CZ3 4.16Å; W31-W34 HydrophobicContact CZ3-CD2 4.28Å; W31-W34 AromaticContact CZ3-CE3 3.72Å; W31-W34 HydrophobicContact CZ3-CE3 3.72Å; W31-W34 HydrophobicContact CZ3-CH2 4.29Å; W31-W34 AromaticContact CZ3-CZ3 3.74Å; W31-W34 HydrophobicContact CZ3-CZ3 3.74Å; W31-W34 WeakPolarHBondContact O-CB 3.32Å; W31-W34 PolarHBondContact O-N 3.26Å; W31-G35 PolarHBondContact O-N 3.19Å
32I93.4Very high94.1Very high129 Ų12958.3 Ų58.366%0.66230%0.299SS*.Hα-helixtrans-64.5-49.8-179.7-64.1170.6000110.2G30 W34 G35 Y36G30-I32 PolarHBondContact O-N 3.29Å; I32-W34 VanDerWaalsContact C-N 3.3Å; I32-W34 PolarHBondContact O-N 3.37Å; I32-G35 PolarHBondContact O-N 3.44Å; I32-Y36 HydrophobicContact CG2-CD2 3.8Å; I32-Y36 HydrophobicContact CG2-CE2 3.62Å; I32-Y36 VanDerWaalsContact O-CD2 3.25Å; I32-Y36 WeakPolarHBondContact O-CD2 3.46Å; I32-Y36 PolarHBondContact O-N 2.97Å; I32-Y36 VanDerWaalsContact O-N 3.14Å
33E92Very high94.1Very high49 Ų4958.9 Ų58.923%0.22930%0.296CS..Hα-helixtrans-57.3-45.7175.1-173.5-160.1160.600111A29 G30 G35 Y36 Q37 Y97 R100A29-E33 WeakPolarHBondContact CA-OE2 3.36Å; G30-E33 PolarHBondContact O-N 3.02Å; E33-G35 VanDerWaalsContact C-N 3.31Å; E33-G35 PolarHBondContact O-N 3.36Å; E33-Y36 PolarHBondContact O-N 2.86Å; E33-Q37 HydrophobicContact CG-CG 3.99Å; E33-Q37 WeakPolarHBondContact O-CB 3.32Å; E33-Q37 WeakPolarHBondContact O-CG 3.14Å; E33-Q37 PolarHBondContact O-N 3.14Å; E33-Y97 WeakPolarHBondContact OE1-CE1 3.36Å; E33-R100 VanDerWaalsContact CD-NH2 3.26Å; E33-R100 IonicContact OE1-CZ 2.94Å; E33-R100 IonicContact OE1-NH1 2.67Å; E33-R100 PolarHBondContact OE1-NH1 3.3Å; E33-R100 IonicContact OE1-NH2 3.58Å; E33-R100 PolarHBondContact OE1-NH2 3.35Å; E33-R100 VanDerWaalsContact OE1-NH2 3.12Å; E33-R100 IonicContact OE2-CZ 3.3Å; E33-R100 IonicContact OE2-NH1 3.35Å; E33-R100 IonicContact OE2-NH2 2.71Å; E33-R100 PolarHBondContact OE2-NH2 3.47Å
34W93.9Very high94.2Very high107 Ų10757.7 Ų57.741%0.40529%0.29SS..Hα-helixtrans-54.8-45.9176.5179.197.5000112.6G30 W31 I32 K38 L98G30-W34 WeakPolarHBondContact O-CB 3.41Å; G30-W34 PolarHBondContact O-N 2.85Å; W31-W34 HydrophobicContact CD2-CE3 4.49Å; W31-W34 HydrophobicContact CE3-CD2 4.47Å; W31-W34 AromaticContact CE3-CE3 4Å; W31-W34 HydrophobicContact CE3-CE3 4Å; W31-W34 HydrophobicContact CE3-CZ3 4.44Å; W31-W34 AromaticContact CH2-CE3 3.98Å; W31-W34 HydrophobicContact CH2-CE3 3.98Å; W31-W34 HydrophobicContact CH2-CH2 4.18Å; W31-W34 AromaticContact CH2-CZ3 3.58Å; W31-W34 HydrophobicContact CH2-CZ3 3.58Å; W31-W34 HydrophobicContact CZ2-CE3 4.46Å; W31-W34 HydrophobicContact CZ2-CZ3 4.16Å; W31-W34 HydrophobicContact CZ3-CD2 4.28Å; W31-W34 AromaticContact CZ3-CE3 3.72Å; W31-W34 HydrophobicContact CZ3-CE3 3.72Å; W31-W34 HydrophobicContact CZ3-CH2 4.29Å; W31-W34 AromaticContact CZ3-CZ3 3.74Å; W31-W34 HydrophobicContact CZ3-CZ3 3.74Å; W31-W34 WeakPolarHBondContact O-CB 3.32Å; W31-W34 PolarHBondContact O-N 3.26Å; I32-W34 VanDerWaalsContact C-N 3.3Å; I32-W34 PolarHBondContact O-N 3.37Å; W34-K38 HydrophobicContact CD2-CG 3.92Å; W34-K38 HydrophobicContact CE3-CG 4.32Å; W34-K38 HydrophobicContact CG-CG 4.4Å; W34-K38 HydrophobicContact CH2-CG 4.29Å; W34-K38 HydrophobicContact CZ2-CD 4.33Å; W34-K38 HydrophobicContact CZ2-CG 3.9Å; W34-K38 HydrophobicContact CZ3-CG 4.48Å; W34-K38 VanDerWaalsContact O-CB 3.27Å; W34-K38 WeakPolarHBondContact O-CB 3.34Å; W34-K38 WeakPolarHBondContact O-CG 3.21Å; W34-K38 PolarHBondContact O-N 3.41Å; W34-L98 HydrophobicContact CB-CD1 4.02Å; W34-L98 HydrophobicContact CG-CD1 4.38Å; W34-L98 HydrophobicContact CG-CD2 4.41Å
35G94.7Very high94.2Very high32 Ų3261.9 Ų61.933%0.3331%0.305SS..Hα-helixtrans-59.7-52.5177.100000112.7W31 I32 E33 Q37 K38 A39W31-G35 PolarHBondContact O-N 3.19Å; I32-G35 PolarHBondContact O-N 3.44Å; E33-G35 VanDerWaalsContact C-N 3.31Å; E33-G35 PolarHBondContact O-N 3.36Å; G35-Q37 PolarHBondContact O-N 3.35Å; G35-K38 PolarHBondContact O-N 3.3Å; G35-A39 PolarHBondContact O-N 3.34Å
36Y93.3Very high94.3Very high159 Ų15965.7 Ų65.762%0.62433%0.325SS*.Hα-helixtrans-61.6-45.1-179.7-79-69.6000112.4I32 E33 K38 A39 N40I32-Y36 HydrophobicContact CG2-CD2 3.8Å; I32-Y36 HydrophobicContact CG2-CE2 3.62Å; I32-Y36 VanDerWaalsContact O-CD2 3.25Å; I32-Y36 WeakPolarHBondContact O-CD2 3.46Å; I32-Y36 PolarHBondContact O-N 2.97Å; I32-Y36 VanDerWaalsContact O-N 3.14Å; E33-Y36 PolarHBondContact O-N 2.86Å; Y36-K38 PolarHBondContact O-N 3.11Å; Y36-A39 PolarHBondContact O-N 3.22Å; Y36-N40 PolarHBondContact O-N 2.96Å; Y36-N40 PolarHBondContact O-ND2 2.97Å
37Q94Very high94.5Very high2 Ų274 Ų741%0.00936%0.356CS..Hα-helixtrans-66.2-39179.3-64.9-79.73600111.7E33 G35 A39 N40 I41 Y56 I94 L98E33-Q37 HydrophobicContact CG-CG 3.99Å; E33-Q37 WeakPolarHBondContact O-CB 3.32Å; E33-Q37 WeakPolarHBondContact O-CG 3.14Å; E33-Q37 PolarHBondContact O-N 3.14Å; G35-Q37 PolarHBondContact O-N 3.35Å; Q37-A39 VanDerWaalsContact C-N 3.34Å; Q37-A39 PolarHBondContact O-N 2.95Å; Q37-N40 PolarHBondContact O-N 3.3Å; Q37-I41 WeakPolarHBondContact O-CB 3.25Å; Q37-I41 WeakPolarHBondContact O-CD1 3.33Å; Q37-I41 WeakPolarHBondContact O-CG1 3.11Å; Q37-I41 PolarHBondContact O-N 3.3Å; Q37-Y56 PolarHBondContact NE2-OH 3.2Å; Q37-Y56 PolarHBondContact OE1-OH 3.35Å; Q37-Y56 VanDerWaalsContact OE1-OH 3.11Å; Q37-I94 HydrophobicContact CB-CG2 4.26Å; Q37-I94 HydrophobicContact CG-CG2 4.49Å; Q37-L98 HydrophobicContact CB-CB 4.5Å; Q37-L98 HydrophobicContact CB-CD1 3.9Å; Q37-L98 HydrophobicContact CB-CD2 3.81Å; Q37-L98 HydrophobicContact CB-CG 4.26Å; Q37-L98 HydrophobicContact CG-CD1 4.02Å
38K95.6Very high94.6Very high75 Ų7573.6 Ų73.633%0.32636%0.357SS..Hα-helixtrans-61.2-42.6174.6-78.1-68-171.8173.60112.1W34 G35 Y36 I41 Y42 L98W34-K38 HydrophobicContact CD2-CG 3.92Å; W34-K38 HydrophobicContact CE3-CG 4.32Å; W34-K38 HydrophobicContact CG-CG 4.4Å; W34-K38 HydrophobicContact CH2-CG 4.29Å; W34-K38 HydrophobicContact CZ2-CD 4.33Å; W34-K38 HydrophobicContact CZ2-CG 3.9Å; W34-K38 HydrophobicContact CZ3-CG 4.48Å; W34-K38 VanDerWaalsContact O-CB 3.27Å; W34-K38 WeakPolarHBondContact O-CB 3.34Å; W34-K38 WeakPolarHBondContact O-CG 3.21Å; W34-K38 PolarHBondContact O-N 3.41Å; G35-K38 PolarHBondContact O-N 3.3Å; Y36-K38 PolarHBondContact O-N 3.11Å; K38-I41 PolarHBondContact O-N 2.81Å; K38-Y42 WeakPolarHBondContact O-CB 3.35Å; K38-Y42 PolarHBondContact O-N 2.91Å; K38-L98 HydrophobicContact CD-CD2 4.22Å; K38-L98 HydrophobicContact CG-CD2 4.07Å
39A94.8Very high94.7Very high43 Ų4372.5 Ų72.536%0.35535%0.345SS..Hα-helixtrans-62.1-47.717400000111.3G35 Y36 Q37 I41 Y42 Y43G35-A39 PolarHBondContact O-N 3.34Å; Y36-A39 PolarHBondContact O-N 3.22Å; Q37-A39 VanDerWaalsContact C-N 3.34Å; Q37-A39 PolarHBondContact O-N 2.95Å; A39-I41 PolarHBondContact O-N 3.3Å; A39-Y42 WeakPolarHBondContact O-CB 3.43Å; A39-Y42 PolarHBondContact O-N 3.28Å; A39-Y42 VanDerWaalsContact O-N 3.13Å; A39-Y43 HydrophobicContact CB-CE2 4.41Å; A39-Y43 WeakPolarHBondContact O-CD2 3.45Å; A39-Y43 PolarHBondContact O-N 3.08Å
40N94.9Very high94.7Very high12 Ų1272.8 Ų72.86%0.06434%0.344CS..Hα-helixtrans-60.1-43176.5-78.3-43.4000112.8Y36 Q37 Y42 Y43 L44 Y56Y36-N40 PolarHBondContact O-N 2.96Å; Y36-N40 PolarHBondContact O-ND2 2.97Å; Q37-N40 PolarHBondContact O-N 3.3Å; N40-Y42 VanDerWaalsContact C-N 3.31Å; N40-Y42 PolarHBondContact O-N 3.33Å; N40-Y43 PolarHBondContact O-N 2.79Å; N40-L44 WeakPolarHBondContact O-CB 3.41Å; N40-L44 WeakPolarHBondContact O-CG 3.5Å; N40-L44 PolarHBondContact O-N 3.08Å; N40-Y56 WeakPolarHBondContact ND2-CB 3.49Å; N40-Y56 WeakPolarHBondContact ND2-CD2 3.34Å
41I96.3Very high94.8Very high8 Ų874.8 Ų74.84%0.04135%0.352CS..Hα-helixtrans-60.6-41.8174.8-71.6161.6000110.7Q37 K38 A39 K45 A91 I94 M95 L98Q37-I41 WeakPolarHBondContact O-CB 3.25Å; Q37-I41 WeakPolarHBondContact O-CD1 3.33Å; Q37-I41 WeakPolarHBondContact O-CG1 3.11Å; Q37-I41 PolarHBondContact O-N 3.3Å; K38-I41 PolarHBondContact O-N 2.81Å; A39-I41 PolarHBondContact O-N 3.3Å; I41-K45 HydrophobicContact CG2-CD 4.05Å; I41-K45 WeakPolarHBondContact O-CB 3.33Å; I41-K45 VanDerWaalsContact O-CG 3.28Å; I41-K45 WeakPolarHBondContact O-CG 3.45Å; I41-K45 PolarHBondContact O-N 3.43Å; I41-A91 HydrophobicContact CG2-CB 4.34Å; I41-I94 HydrophobicContact CD1-CG2 3.97Å; I41-I94 HydrophobicContact CG1-CB 4.19Å; I41-I94 HydrophobicContact CG1-CG2 3.84Å; I41-M95 HydrophobicContact CD1-CB 3.86Å; I41-M95 HydrophobicContact CD1-CG 4.38Å; I41-M95 HydrophobicContact CD1-SD 3.64Å; I41-L98 HydrophobicContact CD1-CD2 4.22Å
42Y96.6Very high94.8Very high132 Ų13270.5 Ų70.552%0.51834%0.343SS..Hα-helixtrans-62-46.6175.8173.8-88.4000111.3K38 A39 N40 K45 N46K38-Y42 WeakPolarHBondContact O-CB 3.35Å; K38-Y42 PolarHBondContact O-N 2.91Å; A39-Y42 WeakPolarHBondContact O-CB 3.43Å; A39-Y42 PolarHBondContact O-N 3.28Å; A39-Y42 VanDerWaalsContact O-N 3.13Å; N40-Y42 VanDerWaalsContact C-N 3.31Å; N40-Y42 PolarHBondContact O-N 3.33Å; Y42-K45 PolarHBondContact O-N 3.18Å; Y42-N46 WeakPolarHBondContact CD2-ND2 3.41Å; Y42-N46 WeakPolarHBondContact CE2-ND2 3.47Å; Y42-N46 WeakPolarHBondContact O-CB 3.45Å; Y42-N46 PolarHBondContact O-N 2.86Å; Y42-N46 VanDerWaalsContact O-N 3.07Å; Y42-N46 PolarHBondContact O-ND2 2.98Å
43Y96Very high94.8Very high67 Ų6764.3 Ų64.326%0.26331%0.311SS..Hα-helixtrans-63.6-46.3177.5-71.3-58.5000112.3A39 N40 K45 N46 R47 G48 L52A39-Y43 HydrophobicContact CB-CE2 4.41Å; A39-Y43 WeakPolarHBondContact O-CD2 3.45Å; A39-Y43 PolarHBondContact O-N 3.08Å; N40-Y43 PolarHBondContact O-N 2.79Å; Y43-K45 VanDerWaalsContact C-N 3.28Å; Y43-K45 PolarHBondContact O-N 3.43Å; Y43-N46 PolarHBondContact O-N 3.36Å; Y43-R47 CarbonylContact O-C 3.51Å; Y43-R47 WeakPolarHBondContact O-CA 3.19Å; Y43-R47 PolarHBondContact O-N 3.08Å; Y43-G48 PolarHBondContact O-N 3.21Å; Y43-L52 HydrophobicContact CE2-CD1 4.39Å
44L96.2Very high95Very high1 Ų162.3 Ų62.31%0.00530%0.302CS..Hα-helixtrans-57.7-39.9176.9-79165.7000112.8N40 G48 M49 T53 P87 L90 A91 I94N40-L44 WeakPolarHBondContact O-CB 3.41Å; N40-L44 WeakPolarHBondContact O-CG 3.5Å; N40-L44 PolarHBondContact O-N 3.08Å; L44-G48 PolarHBondContact O-N 3.45Å; L44-M49 HydrophobicContact CD2-SD 3.53Å; L44-M49 VanDerWaalsContact CD2-SD 3.53Å; L44-T53 HydrophobicContact CD1-CG2 4.01Å; L44-T53 HydrophobicContact CD2-CG2 3.61Å; L44-T53 HydrophobicContact CG-CG2 3.68Å; L44-P87 HydrophobicContact CB-CB 4.46Å; L44-P87 HydrophobicContact CD2-CB 3.61Å; L44-L90 HydrophobicContact CD1-CD2 4.16Å; L44-L90 HydrophobicContact CD1-CG 4Å; L44-L90 HydrophobicContact CD2-CB 4.42Å; L44-L90 HydrophobicContact CD2-CD2 3.77Å; L44-L90 HydrophobicContact CD2-CG 4.27Å; L44-A91 HydrophobicContact CB-CB 3.76Å; L44-A91 HydrophobicContact CD1-CB 4.18Å; L44-I94 HydrophobicContact CD1-CD1 3.64Å
45K95.9Very high95Very high112 Ų11260 Ų6049%0.48730%0.298SS..Hα-helixtrans-73.1-38.5-179.5-75.7178.9176-173.50113.5I41 Y42 Y43 A91I41-K45 HydrophobicContact CG2-CD 4.05Å; I41-K45 WeakPolarHBondContact O-CB 3.33Å; I41-K45 VanDerWaalsContact O-CG 3.28Å; I41-K45 WeakPolarHBondContact O-CG 3.45Å; I41-K45 PolarHBondContact O-N 3.43Å; Y42-K45 PolarHBondContact O-N 3.18Å; Y43-K45 VanDerWaalsContact C-N 3.28Å; Y43-K45 PolarHBondContact O-N 3.43Å; K45-A91 HydrophobicContact CG-CB 3.92Å
46N95.6Very high94.9Very high101 Ų10159.8 Ų59.854%0.5429%0.287SS..Hα-helixtrans-103.7-27-169.1-62.5-53.4000114.2Y42 Y43Y42-N46 WeakPolarHBondContact CD2-ND2 3.41Å; Y42-N46 WeakPolarHBondContact CE2-ND2 3.47Å; Y42-N46 WeakPolarHBondContact O-CB 3.45Å; Y42-N46 PolarHBondContact O-N 2.86Å; Y42-N46 VanDerWaalsContact O-N 3.07Å; Y42-N46 PolarHBondContact O-ND2 2.98Å; Y43-N46 PolarHBondContact O-N 3.36Å
47R94.7Very high95Very high176 Ų17652.7 Ų52.766%0.66426%0.26SS*.THydrogen-bonded Turntrans-126.5-9.5-175-57.6-165.7-175.6-174.5-0.1113.8Y43 T50Y43-R47 CarbonylContact O-C 3.51Å; Y43-R47 WeakPolarHBondContact O-CA 3.19Å; Y43-R47 PolarHBondContact O-N 3.08Å; R47-T50 HydrophobicContact CB-CG2 3.87Å
48G94.3Very high95.1Very high15 Ų1552.7 Ų52.716%0.15526%0.26CS..  trans78.1-147.6-178.600000113.1Y43 L44 T50Y43-G48 PolarHBondContact O-N 3.21Å; L44-G48 PolarHBondContact O-N 3.45Å; G48-T50 PolarHBondContact O-N 2.92Å
49M96.1Very high95Very high41 Ų4153.8 Ų53.820%0.20226%0.262CS..SBendtrans-74.4104178.2-68.9-52.3-68.300110.4L44 T53 V54 L57 F81 L84 P87 L90L44-M49 HydrophobicContact CD2-SD 3.53Å; L44-M49 VanDerWaalsContact CD2-SD 3.53Å; M49-T53 HydrophobicContact CE-CG2 4.1Å; M49-T53 HydrophobicContact SD-CG2 4.26Å; M49-V54 HydrophobicContact CE-CG2 3.85Å; M49-L57 HydrophobicContact CE-CD1 3.66Å; M49-F81 HydrophobicContact CE-CB 4.42Å; M49-F81 WeakPolarHBondContact CE-O 3.14Å; M49-L84 HydrophobicContact CE-CD1 4.28Å; M49-L84 HydrophobicContact CG-CB 4.23Å; M49-L84 HydrophobicContact SD-CB 4.3Å; M49-P87 HydrophobicContact CG-CB 4.46Å; M49-P87 HydrophobicContact SD-CB 4.38Å; M49-L90 HydrophobicContact CE-CD2 4.27Å; M49-L90 HydrophobicContact SD-CD2 3.85Å
50T94.2Very high95Very high32 Ų3253.8 Ų53.820%0.19626%0.255CS..  trans-99.3162.3174.370.20000110.8R47 G48 L52 T53 V54R47-T50 HydrophobicContact CB-CG2 3.87Å; G48-T50 PolarHBondContact O-N 2.92Å; T50-L52 VanDerWaalsContact C-N 3.26Å; T50-L52 PolarHBondContact O-N 3.12Å; T50-T53 WeakPolarHBondContact O-CB 3.4Å; T50-T53 PolarHBondContact O-N 3.43Å; T50-T53 VanDerWaalsContact O-N 3.08Å; T50-T53 PolarHBondContact OG1-N 3.33Å; T50-T53 PolarHBondContact OG1-OG1 2.86Å; T50-V54 WeakPolarHBondContact O-CG2 3.45Å; T50-V54 PolarHBondContact O-N 3.32Å
51S94.8Very high94.9Very high82 Ų8255.6 Ų55.657%0.57326%0.263SS*.Hα-helixtrans-53.3-45.3173.8-168.90000111.6T53 V54 D55S51-T53 VanDerWaalsContact C-N 3.28Å; S51-T53 PolarHBondContact O-N 2.84Å; S51-V54 CarbonylContact O-C 3.59Å; S51-V54 WeakPolarHBondContact O-CB 3.29Å; S51-V54 PolarHBondContact O-N 3.21Å; S51-V54 VanDerWaalsContact O-N 3.08Å; S51-D55 VanDerWaalsContact O-CG 3.25Å; S51-D55 PolarHBondContact O-N 2.91Å; S51-D55 PolarHBondContact OG-OD2 3.39Å
52L92.7Very high94.8Very high105 Ų10555.2 Ų55.255%0.5526%0.261SS..Hα-helixtrans-59.2-39.2178.9-63.9176.8000112.6Y43 T50 Y56Y43-L52 HydrophobicContact CE2-CD1 4.39Å; T50-L52 VanDerWaalsContact C-N 3.26Å; T50-L52 PolarHBondContact O-N 3.12Å; L52-Y56 WeakPolarHBondContact O-CB 3.47Å; L52-Y56 PolarHBondContact O-N 3.01Å
53T94Very high94.6Very high0 Ų049.1 Ų49.10%024%0.239CC..Hα-helixtrans-68.3-41.5176.2-52.90000111.5L44 M49 T50 S51 Y56 L57L44-T53 HydrophobicContact CD1-CG2 4.01Å; L44-T53 HydrophobicContact CD2-CG2 3.61Å; L44-T53 HydrophobicContact CG-CG2 3.68Å; M49-T53 HydrophobicContact CE-CG2 4.1Å; M49-T53 HydrophobicContact SD-CG2 4.26Å; T50-T53 WeakPolarHBondContact O-CB 3.4Å; T50-T53 PolarHBondContact O-N 3.43Å; T50-T53 VanDerWaalsContact O-N 3.08Å; T50-T53 PolarHBondContact OG1-N 3.33Å; T50-T53 PolarHBondContact OG1-OG1 2.86Å; S51-T53 VanDerWaalsContact C-N 3.28Å; S51-T53 PolarHBondContact O-N 2.84Å; T53-Y56 PolarHBondContact O-N 3.43Å; T53-L57 WeakPolarHBondContact O-CG 3.4Å; T53-L57 PolarHBondContact O-N 3.38Å
54V95.8Very high94.2Very high7 Ų756.3 Ų56.34%0.04227%0.265CS..Hα-helixtrans-63.2-45.5175.3174.20000110.2M49 T50 S51 Y56 L57 M58 R78 F81 A82M49-V54 HydrophobicContact CE-CG2 3.85Å; T50-V54 WeakPolarHBondContact O-CG2 3.45Å; T50-V54 PolarHBondContact O-N 3.32Å; S51-V54 CarbonylContact O-C 3.59Å; S51-V54 WeakPolarHBondContact O-CB 3.29Å; S51-V54 PolarHBondContact O-N 3.21Å; S51-V54 VanDerWaalsContact O-N 3.08Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.45Å; V54-L57 PolarHBondContact O-N 2.94Å; V54-L57 VanDerWaalsContact O-N 3.12Å; V54-M58 HydrophobicContact CG1-CG 4.26Å; V54-M58 VanDerWaalsContact O-CG 3.28Å; V54-M58 WeakPolarHBondContact O-CG 3.45Å; V54-M58 PolarHBondContact O-N 3.43Å; V54-R78 HydrophobicContact CG1-CG 3.92Å; V54-F81 HydrophobicContact CG1-CB 4.21Å; V54-F81 HydrophobicContact CG2-CB 4.37Å; V54-A82 HydrophobicContact CG2-CB 4.23Å
55D94.3Very high93.8Very high59 Ų5960.3 Ų60.332%0.31629%0.287SS..Hα-helixtrans-61.5-39.3177.8-67-38.4000111.8S51 M58 W59 R78S51-D55 VanDerWaalsContact O-CG 3.25Å; S51-D55 PolarHBondContact O-N 2.91Å; S51-D55 PolarHBondContact OG-OD2 3.39Å; D55-M58 PolarHBondContact O-N 3.15Å; D55-W59 WeakPolarHBondContact O-CB 3.28Å; D55-W59 PolarHBondContact O-N 3.28Å; D55-R78 IonicContact OD1-CZ 2.79Å; D55-R78 VanDerWaalsContact OD1-CZ 3.3Å; D55-R78 IonicContact OD1-NH1 2.76Å; D55-R78 PolarHBondContact OD1-NH1 3.42Å; D55-R78 IonicContact OD1-NH2 3.3Å; D55-R78 PolarHBondContact OD1-NH2 3.24Å
56Y93.5Very high93.2Very high27 Ų2757.2 Ų57.211%0.10628%0.275CS..Hα-helixtrans-61.5-45.7172.1167.8-94.1000112.3Q37 N40 L52 T53 V54 M58 W59 H60 I94Q37-Y56 PolarHBondContact NE2-OH 3.2Å; Q37-Y56 PolarHBondContact OE1-OH 3.35Å; Q37-Y56 VanDerWaalsContact OE1-OH 3.11Å; N40-Y56 WeakPolarHBondContact ND2-CB 3.49Å; N40-Y56 WeakPolarHBondContact ND2-CD2 3.34Å; L52-Y56 WeakPolarHBondContact O-CB 3.47Å; L52-Y56 PolarHBondContact O-N 3.01Å; T53-Y56 PolarHBondContact O-N 3.43Å; V54-Y56 VanDerWaalsContact C-N 3.3Å; V54-Y56 PolarHBondContact O-N 3.45Å; Y56-M58 VanDerWaalsContact C-N 3.33Å; Y56-W59 HydrophobicContact CD2-CE3 4.12Å; Y56-W59 HydrophobicContact CD2-CZ3 4.44Å; Y56-W59 AromaticContact CE2-CE3 3.91Å; Y56-W59 HydrophobicContact CE2-CE3 3.91Å; Y56-W59 AromaticContact CE2-CZ3 3.82Å; Y56-W59 HydrophobicContact CE2-CZ3 3.82Å; Y56-W59 PolarHBondContact O-N 3.05Å; Y56-H60 WeakPolarHBondContact O-CB 3.33Å; Y56-H60 PolarHBondContact O-N 2.95Å; Y56-H60 PolarHBondContact OH-CD2 2.88Å; Y56-H60 VanDerWaalsContact OH-CD2 3.24Å; Y56-I94 HydrophobicContact CE1-CD1 4.31Å
57L94.8Very high92.7Very high10 Ų1060 Ų605%0.05229%0.29CS..Hα-helixtrans-64.6-40.2177.1-67.3171.7000111.2M49 T53 V54 H60 H61 F81 L84 L90M49-L57 HydrophobicContact CE-CD1 3.66Å; T53-L57 WeakPolarHBondContact O-CG 3.4Å; T53-L57 PolarHBondContact O-N 3.38Å; V54-L57 PolarHBondContact O-N 2.94Å; V54-L57 VanDerWaalsContact O-N 3.12Å; L57-H60 PolarHBondContact O-N 3.12Å; L57-H61 PolarHBondContact O-N 3.11Å; L57-H61 VanDerWaalsContact O-N 3.16Å; L57-H61 PolarHBondContact O-ND1 2.71Å; L57-F81 HydrophobicContact CB-CD1 4.39Å; L57-F81 HydrophobicContact CB-CD2 3.73Å; L57-F81 HydrophobicContact CB-CE2 3.86Å; L57-F81 HydrophobicContact CB-CG 4.02Å; L57-F81 HydrophobicContact CB-CZ 4.27Å; L57-F81 HydrophobicContact CD1-CB 3.95Å; L57-F81 HydrophobicContact CD1-CD1 3.9Å; L57-F81 HydrophobicContact CD1-CD2 4.41Å; L57-F81 HydrophobicContact CD1-CG 3.84Å; L57-L84 HydrophobicContact CD1-CD1 4.37Å; L57-L90 HydrophobicContact CD1-CD2 3.92Å
58M95.6Very high92.3Very high1 Ų158.8 Ų58.81%0.00529%0.292CS..Hα-helixtrans-59.5-48.7174.3-70.2-57.1-64.200110.7V54 D55 Y56 H60 H61 F62 L66 V74 R78 F81V54-M58 HydrophobicContact CG1-CG 4.26Å; V54-M58 VanDerWaalsContact O-CG 3.28Å; V54-M58 WeakPolarHBondContact O-CG 3.45Å; V54-M58 PolarHBondContact O-N 3.43Å; D55-M58 PolarHBondContact O-N 3.15Å; Y56-M58 VanDerWaalsContact C-N 3.33Å; M58-H60 VanDerWaalsContact C-N 3.31Å; M58-H60 PolarHBondContact O-N 2.72Å; M58-H61 PolarHBondContact O-N 2.71Å; M58-F62 HydrophobicContact CE-CD2 3.48Å; M58-F62 VanDerWaalsContact CE-CD2 3.48Å; M58-F62 HydrophobicContact CE-CE2 3.5Å; M58-F62 HydrophobicContact CE-CG 4.41Å; M58-F62 HydrophobicContact CE-CZ 4.43Å; M58-F62 WeakPolarHBondContact O-CB 3.4Å; M58-F62 PolarHBondContact O-N 2.99Å; M58-F62 HydrophobicContact SD-CD2 4.24Å; M58-F62 HydrophobicContact SD-CE2 4.14Å; M58-L66 HydrophobicContact CE-CD2 4.09Å; M58-V74 HydrophobicContact CE-CB 4.41Å; M58-V74 HydrophobicContact CE-CG1 3.69Å; M58-V74 WeakPolarHBondContact CE-O 3.31Å; M58-R78 HydrophobicContact CE-CB 4.38Å; M58-R78 HydrophobicContact SD-CB 4.02Å; M58-F81 HydrophobicContact CG-CD2 4.36Å; M58-F81 HydrophobicContact SD-CD2 3.72Å; M58-F81 HydrophobicContact SD-CE2 3.85Å
59W94.3Very high91.8Very high98 Ų9859.5 Ų59.537%0.37129%0.29SS..Hα-helixtrans-59.2-40.7175.516978.4000112.5D55 Y56 H61 G63 P125D55-W59 WeakPolarHBondContact O-CB 3.28Å; D55-W59 PolarHBondContact O-N 3.28Å; Y56-W59 HydrophobicContact CD2-CE3 4.12Å; Y56-W59 HydrophobicContact CD2-CZ3 4.44Å; Y56-W59 AromaticContact CE2-CE3 3.91Å; Y56-W59 HydrophobicContact CE2-CE3 3.91Å; Y56-W59 AromaticContact CE2-CZ3 3.82Å; Y56-W59 HydrophobicContact CE2-CZ3 3.82Å; Y56-W59 PolarHBondContact O-N 3.05Å; W59-H61 VanDerWaalsContact C-N 3.28Å; W59-H61 PolarHBondContact O-N 3.38Å; W59-G63 WeakPolarHBondContact O-CA 3.38Å; W59-G63 PolarHBondContact O-N 2.67Å; W59-P125 HydrophobicContact CH2-CB 4.36Å; W59-P125 HydrophobicContact CZ2-CB 3.86Å
60H93.6Very high91.3Very high43 Ų4360.8 Ų60.820%0.19930%0.303CS..Hα-helixtrans-65.1-29.6-179.7-171.8-77.6000113.1Y56 L57 M58 P125 H126Y56-H60 WeakPolarHBondContact O-CB 3.33Å; Y56-H60 PolarHBondContact O-N 2.95Å; Y56-H60 PolarHBondContact OH-CD2 2.88Å; Y56-H60 VanDerWaalsContact OH-CD2 3.24Å; L57-H60 PolarHBondContact O-N 3.12Å; M58-H60 VanDerWaalsContact C-N 3.31Å; M58-H60 PolarHBondContact O-N 2.72Å; H60-P125 WeakPolarHBondContact O-CG 3.46Å; H60-H126 AromaticContact CD2-CE1 3.87Å; H60-H126 AromaticContact CD2-NE2 3.93Å; H60-H126 AromaticContact CE1-CE1 3.86Å; H60-H126 AromaticContact CE1-NE2 3.4Å; H60-H126 PolarHBondContact CE1-NE2 2.77Å; H60-H126 AromaticContact ND1-NE2 3.83Å; H60-H126 AromaticContact NE2-CE1 3.48Å; H60-H126 PolarHBondContact NE2-CE1 3.23Å; H60-H126 AromaticContact NE2-NE2 3.51Å
61H93.8Very high91Very high50 Ų5064.4 Ų64.423%0.23133%0.325CS..Hα-helixtrans-96.5-39.8179.9-64.681.1000112.4L57 M58 W59 F81 S151 G152 L153L57-H61 PolarHBondContact O-N 3.11Å; L57-H61 VanDerWaalsContact O-N 3.16Å; L57-H61 PolarHBondContact O-ND1 2.71Å; M58-H61 PolarHBondContact O-N 2.71Å; W59-H61 VanDerWaalsContact C-N 3.28Å; W59-H61 PolarHBondContact O-N 3.38Å; H61-F81 AromaticContact CE1-CZ 3.52Å; H61-F81 AromaticContact ND1-CE2 3.92Å; H61-F81 AromaticContact ND1-CZ 3.5Å; H61-F81 WeakPolarHBondContact ND1-CZ 3.44Å; H61-S151 WeakPolarHBondContact O-CB 3.17Å; H61-S151 PolarHBondContact O-OG 3.24Å; H61-G152 VanDerWaalsContact O-CA 3.24Å; H61-G152 WeakPolarHBondContact O-CA 3.47Å; H61-G152 PolarHBondContact O-N 2.92Å; H61-L153 HydrophobicContact CB-CD1 4.24Å; H61-L153 HydrophobicContact CB-CD2 4.16Å; H61-L153 HydrophobicContact CB-CG 4.1Å
62F93.8Very high90.8Very high0 Ų066.7 Ų66.70%033%0.331CS..Hα-helixtrans-102.5-10.7-173.4-67.9-84.9000114.7M58 L66 Y69 L73 V74 Y77 L153M58-F62 HydrophobicContact CE-CD2 3.48Å; M58-F62 VanDerWaalsContact CE-CD2 3.48Å; M58-F62 HydrophobicContact CE-CE2 3.5Å; M58-F62 HydrophobicContact CE-CG 4.41Å; M58-F62 HydrophobicContact CE-CZ 4.43Å; M58-F62 WeakPolarHBondContact O-CB 3.4Å; M58-F62 PolarHBondContact O-N 2.99Å; M58-F62 HydrophobicContact SD-CD2 4.24Å; M58-F62 HydrophobicContact SD-CE2 4.14Å; F62-L66 HydrophobicContact CB-CD2 3.32Å; F62-L66 HydrophobicContact CD2-CD2 4.21Å; F62-L66 HydrophobicContact CG-CD2 3.82Å; F62-Y69 HydrophobicContact CB-CD2 4.34Å; F62-Y69 HydrophobicContact CB-CE2 4.31Å; F62-Y69 AromaticContact CD1-CD2 3.83Å; F62-Y69 HydrophobicContact CD1-CD2 3.83Å; F62-Y69 HydrophobicContact CD1-CE2 4.37Å; F62-Y69 HydrophobicContact CD1-CG 4.09Å; F62-Y69 VanDerWaalsContact O-CE2 3.26Å; F62-Y69 WeakPolarHBondContact O-CE2 3.04Å; F62-L73 HydrophobicContact CE1-CD2 3.99Å; F62-L73 HydrophobicContact CE1-CG 4.19Å; F62-L73 HydrophobicContact CZ-CD2 4.41Å; F62-L73 HydrophobicContact CZ-CG 4.17Å; F62-V74 HydrophobicContact CD1-CG2 4.23Å; F62-V74 HydrophobicContact CE1-CG2 4.06Å; F62-V74 HydrophobicContact CZ-CG2 4.44Å; F62-Y77 HydrophobicContact CE2-CD1 4.14Å; F62-Y77 HydrophobicContact CE2-CD2 4.28Å; F62-Y77 AromaticContact CE2-CG 3.77Å; F62-Y77 HydrophobicContact CE2-CG 3.77Å; F62-Y77 HydrophobicContact CZ-CD1 4.47Å; F62-Y77 AromaticContact CZ-CD2 3.87Å; F62-Y77 HydrophobicContact CZ-CD2 3.87Å; F62-Y77 HydrophobicContact CZ-CE2 4.48Å; F62-Y77 AromaticContact CZ-CG 3.85Å; F62-Y77 HydrophobicContact CZ-CG 3.85Å; F62-L153 HydrophobicContact CD1-CD1 4.49Å; F62-L153 HydrophobicContact CE1-CD1 3.83Å; F62-L153 HydrophobicContact CE2-CD1 3.91Å; F62-L153 HydrophobicContact CZ-CD1 3.5Å
63G92.7Very high90.7Very high5 Ų564 Ų645%0.05232%0.317CS..THydrogen-bonded Turntrans71.2-150.2-171.800000112.6W59W59-G63 WeakPolarHBondContact O-CA 3.38Å; W59-G63 PolarHBondContact O-N 2.67Å
64R87.7Confident90.6Very high217 Ų21764.9 Ų64.982%0.81932%0.322SS*.THydrogen-bonded Turntrans-87.2-21.4-175.3-67.2-175174.7117.3-0.8114L66R64-L66 PolarHBondContact O-N 3Å
65N86.8Confident90.5Very high86 Ų8667.3 Ų67.346%0.4634%0.337SS..  trans-104.257-163.9-65.2-16.1000111.6D67 H68 Y69N65-D67 PolarHBondContact O-N 3.34Å; N65-D67 VanDerWaalsContact O-N 3.13Å; N65-H68 HydrophobicContact CB-CB 4.43Å; N65-H68 WeakPolarHBondContact O-CB 3.35Å; N65-H68 PolarHBondContact O-N 3.12Å; N65-H68 VanDerWaalsContact O-N 3.08Å; N65-Y69 VanDerWaalsContact O-CD2 3.24Å; N65-Y69 WeakPolarHBondContact O-CD2 3.18Å; N65-Y69 WeakPolarHBondContact O-CE2 3.26Å
66L84.3Confident90.5Very high46 Ų4667.8 Ų67.824%0.24135%0.345CS..G310 helixtrans-54.8-33.6-177.7-67.7177000112.9M58 F62 R64 H68 Y69 V74M58-L66 HydrophobicContact CE-CD2 4.09Å; F62-L66 HydrophobicContact CB-CD2 3.32Å; F62-L66 HydrophobicContact CD2-CD2 4.21Å; F62-L66 HydrophobicContact CG-CD2 3.82Å; R64-L66 PolarHBondContact O-N 3Å; L66-H68 PolarHBondContact O-N 3.4Å; L66-Y69 PolarHBondContact O-N 3.39Å; L66-V74 HydrophobicContact CD2-CG1 4.29Å
67D85.2Confident90.6Very high161 Ų16168.6 Ų68.686%0.86135%0.348SS*.G310 helixtrans-69.6-13.9-177.2-53.6-35.2000113.6N65 Y69N65-D67 PolarHBondContact O-N 3.34Å; N65-D67 VanDerWaalsContact O-N 3.13Å; D67-Y69 VanDerWaalsContact C-N 3.34Å
68H85.1Confident90.7Very high150 Ų15072.2 Ų72.269%0.69436%0.361SS*.G310 helixtrans-83.2-12.5177.2-75.3-110.7000113.2N65 L66N65-H68 HydrophobicContact CB-CB 4.43Å; N65-H68 WeakPolarHBondContact O-CB 3.35Å; N65-H68 PolarHBondContact O-N 3.12Å; N65-H68 VanDerWaalsContact O-N 3.08Å; L66-H68 PolarHBondContact O-N 3.4Å
69Y85.3Confident90.7Very high30 Ų3077.3 Ų77.312%0.11839%0.385CS..SBendtrans-105.2163.2-175.3-53.8-68000111.2F62 N65 L66 D67 T71 G123 S151 E157F62-Y69 HydrophobicContact CB-CD2 4.34Å; F62-Y69 HydrophobicContact CB-CE2 4.31Å; F62-Y69 AromaticContact CD1-CD2 3.83Å; F62-Y69 HydrophobicContact CD1-CD2 3.83Å; F62-Y69 HydrophobicContact CD1-CE2 4.37Å; F62-Y69 HydrophobicContact CD1-CG 4.09Å; F62-Y69 VanDerWaalsContact O-CE2 3.26Å; F62-Y69 WeakPolarHBondContact O-CE2 3.04Å; N65-Y69 VanDerWaalsContact O-CD2 3.24Å; N65-Y69 WeakPolarHBondContact O-CD2 3.18Å; N65-Y69 WeakPolarHBondContact O-CE2 3.26Å; L66-Y69 PolarHBondContact O-N 3.39Å; D67-Y69 VanDerWaalsContact C-N 3.34Å; Y69-T71 PolarHBondContact O-N 2.82Å; Y69-T71 VanDerWaalsContact O-N 3.16Å; Y69-G123 WeakPolarHBondContact OH-CA 3.49Å; Y69-S151 VanDerWaalsContact CZ-CB 3.44Å; Y69-S151 WeakPolarHBondContact OH-CA 3.39Å; Y69-S151 WeakPolarHBondContact OH-CB 3.38Å; Y69-S151 PolarHBondContact OH-N 3.39Å; Y69-E157 WeakPolarHBondContact CD1-OE1 3.49Å
70S85.4Confident90.8Very high68 Ų6878.8 Ų78.848%0.47639%0.391SS..  trans-54.7123.4177170.20000111D72 L73 V74S70-D72 PolarHBondContact O-N 3.17Å; S70-D72 PolarHBondContact OG-N 3.5Å; S70-L73 WeakPolarHBondContact O-CB 3.34Å; S70-L73 PolarHBondContact O-N 3.47Å; S70-V74 WeakPolarHBondContact O-CG2 3.5Å; S70-V74 PolarHBondContact O-N 3.04Å
71T88Confident90.9Very high107 Ų10777.3 Ų77.366%0.65638%0.384SS*.Hα-helixtrans-55-37.1177.3-52.20000111.8Y69 T75Y69-T71 PolarHBondContact O-N 2.82Å; Y69-T71 VanDerWaalsContact O-N 3.16Å; T71-T75 WeakPolarHBondContact O-CB 3.27Å; T71-T75 PolarHBondContact O-N 2.78Å; T71-T75 PolarHBondContact O-OG1 3.13Å
72D90.9Very high91Very high130 Ų13077.6 Ų77.670%0.69540%0.395SS*.Hα-helixtrans-66.8-42.7178.3-67.4-20.5000111.3S70 S76S70-D72 PolarHBondContact O-N 3.17Å; S70-D72 PolarHBondContact OG-N 3.5Å; D72-S76 WeakPolarHBondContact O-CB 3.39Å; D72-S76 PolarHBondContact O-N 3.02Å
73L89.3Confident91.1Very high49 Ų4985.9 Ų85.926%0.25743%0.427SS..Hα-helixtrans-63.7-50.3177.2-174.568.6000110.6F62 S70 T75 S76 Y77 E157F62-L73 HydrophobicContact CE1-CD2 3.99Å; F62-L73 HydrophobicContact CE1-CG 4.19Å; F62-L73 HydrophobicContact CZ-CD2 4.41Å; F62-L73 HydrophobicContact CZ-CG 4.17Å; S70-L73 WeakPolarHBondContact O-CB 3.34Å; S70-L73 PolarHBondContact O-N 3.47Å; L73-T75 VanDerWaalsContact C-N 3.34Å; L73-T75 PolarHBondContact O-N 3.46Å; L73-S76 PolarHBondContact O-N 3.16Å; L73-Y77 HydrophobicContact CD1-CD2 3.96Å; L73-Y77 HydrophobicContact CD1-CE2 3.74Å; L73-Y77 HydrophobicContact CG-CD2 4.24Å; L73-Y77 HydrophobicContact CG-CE2 4.36Å; L73-Y77 WeakPolarHBondContact O-CD2 3.38Å; L73-Y77 PolarHBondContact O-N 3.11Å; L73-E157 HydrophobicContact CD2-CG 3.95Å
74V92.7Very high91.2Very high18 Ų1887.9 Ų87.911%0.10944%0.436CS..Hα-helixtrans-59.8-44.8179172.40000110.9M58 F62 L66 S70 R78M58-V74 HydrophobicContact CE-CB 4.41Å; M58-V74 HydrophobicContact CE-CG1 3.69Å; M58-V74 WeakPolarHBondContact CE-O 3.31Å; F62-V74 HydrophobicContact CD1-CG2 4.23Å; F62-V74 HydrophobicContact CE1-CG2 4.06Å; F62-V74 HydrophobicContact CZ-CG2 4.44Å; L66-V74 HydrophobicContact CD2-CG1 4.29Å; S70-V74 WeakPolarHBondContact O-CG2 3.5Å; S70-V74 PolarHBondContact O-N 3.04Å; V74-R78 WeakPolarHBondContact O-CB 3.5Å; V74-R78 PolarHBondContact O-N 3.35Å
75T93.9Very high91.4Very high59 Ų5986.9 Ų86.936%0.36244%0.44SS..Hα-helixtrans-65.6-43.5178.7-60.20000111.5T71 L73 R78 Q79T71-T75 WeakPolarHBondContact O-CB 3.27Å; T71-T75 PolarHBondContact O-N 2.78Å; T71-T75 PolarHBondContact O-OG1 3.13Å; L73-T75 VanDerWaalsContact C-N 3.34Å; L73-T75 PolarHBondContact O-N 3.46Å; T75-R78 PolarHBondContact O-N 2.82Å; T75-Q79 WeakPolarHBondContact O-CG 3.4Å; T75-Q79 PolarHBondContact O-N 3.39Å
76S94.3Very high91.7Very high68 Ų6886.4 Ų86.448%0.47644%0.438SS..Hα-helixtrans-59.6-47.5177.4-1780000111.6D72 L73 R78 Q79 Y80D72-S76 WeakPolarHBondContact O-CB 3.39Å; D72-S76 PolarHBondContact O-N 3.02Å; L73-S76 PolarHBondContact O-N 3.16Å; S76-R78 PolarHBondContact O-N 2.93Å; S76-Q79 PolarHBondContact O-N 2.73Å; S76-Y80 VanDerWaalsContact O-CB 3.31Å; S76-Y80 WeakPolarHBondContact O-CB 3.46Å; S76-Y80 PolarHBondContact O-N 3.48Å
77Y95.3Very high92.3Very high44 Ų4485.5 Ų85.517%0.17344%0.435CS..Hα-helixtrans-64.3-41.2176.9-92.9-96.5000112.7F62 L73 Q79 Y80 F81 L153F62-Y77 HydrophobicContact CE2-CD1 4.14Å; F62-Y77 HydrophobicContact CE2-CD2 4.28Å; F62-Y77 AromaticContact CE2-CG 3.77Å; F62-Y77 HydrophobicContact CE2-CG 3.77Å; F62-Y77 HydrophobicContact CZ-CD1 4.47Å; F62-Y77 AromaticContact CZ-CD2 3.87Å; F62-Y77 HydrophobicContact CZ-CD2 3.87Å; F62-Y77 HydrophobicContact CZ-CE2 4.48Å; F62-Y77 AromaticContact CZ-CG 3.85Å; F62-Y77 HydrophobicContact CZ-CG 3.85Å; L73-Y77 HydrophobicContact CD1-CD2 3.96Å; L73-Y77 HydrophobicContact CD1-CE2 3.74Å; L73-Y77 HydrophobicContact CG-CD2 4.24Å; L73-Y77 HydrophobicContact CG-CE2 4.36Å; L73-Y77 WeakPolarHBondContact O-CD2 3.38Å; L73-Y77 PolarHBondContact O-N 3.11Å; Y77-Q79 VanDerWaalsContact C-N 3.34Å; Y77-Q79 PolarHBondContact O-N 3.13Å; Y77-Y80 WeakPolarHBondContact O-CB 3.32Å; Y77-Y80 PolarHBondContact O-N 2.82Å; Y77-F81 HydrophobicContact CD1-CE1 4.48Å; Y77-F81 AromaticContact CD1-CE2 3.88Å; Y77-F81 HydrophobicContact CD1-CE2 3.88Å; Y77-F81 AromaticContact CD1-CZ 3.71Å; Y77-F81 HydrophobicContact CD1-CZ 3.71Å; Y77-F81 HydrophobicContact CE1-CZ 4.31Å; Y77-F81 VanDerWaalsContact O-CD2 3.27Å; Y77-F81 WeakPolarHBondContact O-CD2 3.43Å; Y77-F81 WeakPolarHBondContact O-CG 3.24Å; Y77-F81 PolarHBondContact O-N 3.23Å; Y77-L153 HydrophobicContact CD1-CD1 4.33Å; Y77-L153 HydrophobicContact CD2-CD1 4.42Å; Y77-L153 HydrophobicContact CE1-CD1 3.83Å; Y77-L153 HydrophobicContact CE1-CD2 4.32Å; Y77-L153 HydrophobicContact CE2-CD1 3.92Å
78R95.7Very high92.7Very high86 Ų8686.4 Ų86.433%0.32543%0.426SS..Hα-helixtrans-60-45.4176-177.1176.2-77.9-78.61.3111.3V54 D55 M58 V74 T75 S76 A82V54-R78 HydrophobicContact CG1-CG 3.92Å; D55-R78 IonicContact OD1-CZ 2.79Å; D55-R78 VanDerWaalsContact OD1-CZ 3.3Å; D55-R78 IonicContact OD1-NH1 2.76Å; D55-R78 PolarHBondContact OD1-NH1 3.42Å; D55-R78 IonicContact OD1-NH2 3.3Å; D55-R78 PolarHBondContact OD1-NH2 3.24Å; M58-R78 HydrophobicContact CE-CB 4.38Å; M58-R78 HydrophobicContact SD-CB 4.02Å; V74-R78 WeakPolarHBondContact O-CB 3.5Å; V74-R78 PolarHBondContact O-N 3.35Å; T75-R78 PolarHBondContact O-N 2.82Å; S76-R78 PolarHBondContact O-N 2.93Å; R78-A82 WeakPolarHBondContact O-CB 3.34Å; R78-A82 PolarHBondContact O-N 3.26Å
79Q97Very high93.2Very high108 Ų10884.3 Ų84.351%0.50542%0.42SS..Hα-helixtrans-68.2-35.3175.9-70177.54.800112.7T75 S76 Y77 R83T75-Q79 WeakPolarHBondContact O-CG 3.4Å; T75-Q79 PolarHBondContact O-N 3.39Å; S76-Q79 PolarHBondContact O-N 2.73Å; Y77-Q79 VanDerWaalsContact C-N 3.34Å; Y77-Q79 PolarHBondContact O-N 3.13Å; Q79-R83 WeakPolarHBondContact O-CB 3.31Å; Q79-R83 VanDerWaalsContact O-CG 3.32Å; Q79-R83 WeakPolarHBondContact O-CG 3.48Å; Q79-R83 PolarHBondContact O-N 3.07Å; Q79-R83 PolarHBondContact O-NE 3.4Å
80Y96.2Very high93.7Very high130 Ų13084.2 Ų84.251%0.5142%0.422SS..Hα-helixtrans-62.6-51.8175169.4-102.2000110.6S76 Y77 A82 R83 L84S76-Y80 VanDerWaalsContact O-CB 3.31Å; S76-Y80 WeakPolarHBondContact O-CB 3.46Å; S76-Y80 PolarHBondContact O-N 3.48Å; Y77-Y80 WeakPolarHBondContact O-CB 3.32Å; Y77-Y80 PolarHBondContact O-N 2.82Å; Y80-A82 PolarHBondContact O-N 2.81Å; Y80-R83 PolarHBondContact O-N 2.76Å; Y80-R83 VanDerWaalsContact O-N 3.13Å; Y80-L84 HydrophobicContact CE1-CD2 4.17Å; Y80-L84 HydrophobicContact CE2-CD2 4.49Å; Y80-L84 PolarHBondContact O-N 3.5Å
81F96Very high94.3Very high11 Ų1181 Ų815%0.04840%0.399CS..Hα-helixtrans-62.8-42.6178.8-66.9-38.1000112.4M49 V54 L57 M58 H61 Y77 R83 L84M49-F81 HydrophobicContact CE-CB 4.42Å; M49-F81 WeakPolarHBondContact CE-O 3.14Å; V54-F81 HydrophobicContact CG1-CB 4.21Å; V54-F81 HydrophobicContact CG2-CB 4.37Å; L57-F81 HydrophobicContact CB-CD1 4.39Å; L57-F81 HydrophobicContact CB-CD2 3.73Å; L57-F81 HydrophobicContact CB-CE2 3.86Å; L57-F81 HydrophobicContact CB-CG 4.02Å; L57-F81 HydrophobicContact CB-CZ 4.27Å; L57-F81 HydrophobicContact CD1-CB 3.95Å; L57-F81 HydrophobicContact CD1-CD1 3.9Å; L57-F81 HydrophobicContact CD1-CD2 4.41Å; L57-F81 HydrophobicContact CD1-CG 3.84Å; M58-F81 HydrophobicContact CG-CD2 4.36Å; M58-F81 HydrophobicContact SD-CD2 3.72Å; M58-F81 HydrophobicContact SD-CE2 3.85Å; H61-F81 AromaticContact CE1-CZ 3.52Å; H61-F81 AromaticContact ND1-CE2 3.92Å; H61-F81 AromaticContact ND1-CZ 3.5Å; H61-F81 WeakPolarHBondContact ND1-CZ 3.44Å; Y77-F81 HydrophobicContact CD1-CE1 4.48Å; Y77-F81 AromaticContact CD1-CE2 3.88Å; Y77-F81 HydrophobicContact CD1-CE2 3.88Å; Y77-F81 AromaticContact CD1-CZ 3.71Å; Y77-F81 HydrophobicContact CD1-CZ 3.71Å; Y77-F81 HydrophobicContact CE1-CZ 4.31Å; Y77-F81 VanDerWaalsContact O-CD2 3.27Å; Y77-F81 WeakPolarHBondContact O-CD2 3.43Å; Y77-F81 WeakPolarHBondContact O-CG 3.24Å; Y77-F81 PolarHBondContact O-N 3.23Å; F81-R83 PolarHBondContact O-N 3.16Å; F81-R83 VanDerWaalsContact O-N 3.11Å; F81-L84 HydrophobicContact CD1-CD1 4.04Å; F81-L84 PolarHBondContact O-N 3.38Å; F81-L84 VanDerWaalsContact O-N 3.16Å
82A95.7Very high94.7Very high57 Ų5778.8 Ų78.847%0.47139%0.391SS..Hα-helixtrans-59.2-24.7177.100000113.4V54 R78 Y80V54-A82 HydrophobicContact CG2-CB 4.23Å; R78-A82 WeakPolarHBondContact O-CB 3.34Å; R78-A82 PolarHBondContact O-N 3.26Å; Y80-A82 PolarHBondContact O-N 2.81Å
83R95.6Very high94.9Very high174 Ų17479.1 Ų79.166%0.65739%0.387SS*.THydrogen-bonded Turntrans-101.18.4-178.2-67.7-177.1-65152.5-3.4114.2Q79 Y80 F81 Q85Q79-R83 WeakPolarHBondContact O-CB 3.31Å; Q79-R83 VanDerWaalsContact O-CG 3.32Å; Q79-R83 WeakPolarHBondContact O-CG 3.48Å; Q79-R83 PolarHBondContact O-N 3.07Å; Q79-R83 PolarHBondContact O-NE 3.4Å; Y80-R83 PolarHBondContact O-N 2.76Å; Y80-R83 VanDerWaalsContact O-N 3.13Å; F81-R83 PolarHBondContact O-N 3.16Å; F81-R83 VanDerWaalsContact O-N 3.11Å; R83-Q85 PolarHBondContact O-N 2.99Å; R83-Q85 VanDerWaalsContact O-N 3.13Å
84L94.7Very high95.2Very high47 Ų4777.1 Ų77.125%0.24638%0.377CS..  trans-60.9117.9175.6-73.8176.9000110.8M49 L57 Y80 F81 N86 L90M49-L84 HydrophobicContact CE-CD1 4.28Å; M49-L84 HydrophobicContact CG-CB 4.23Å; M49-L84 HydrophobicContact SD-CB 4.3Å; L57-L84 HydrophobicContact CD1-CD1 4.37Å; Y80-L84 HydrophobicContact CE1-CD2 4.17Å; Y80-L84 HydrophobicContact CE2-CD2 4.49Å; Y80-L84 PolarHBondContact O-N 3.5Å; F81-L84 HydrophobicContact CD1-CD1 4.04Å; F81-L84 PolarHBondContact O-N 3.38Å; F81-L84 VanDerWaalsContact O-N 3.16Å; L84-N86 PolarHBondContact O-N 3.32Å; L84-L90 HydrophobicContact CD1-CD2 3.9Å
85Q91.3Very high95.3Very high195 Ų19577.5 Ų77.591%0.91138%0.378SS*.SBendtrans-74.3-23.8-170.5-65.2-178.6-14.400114.1R83 P87R83-Q85 PolarHBondContact O-N 2.99Å; R83-Q85 VanDerWaalsContact O-N 3.13Å; Q85-P87 VanDerWaalsContact O-CD 3.29Å; Q85-P87 WeakPolarHBondContact O-CD 3.33Å
86N94.3Very high95.3Very high77 Ų7777.4 Ų77.441%0.41238%0.379SS..  trans-122.776.7-173.5-162.9-27000112.5L84 R88 N89 L90L84-N86 PolarHBondContact O-N 3.32Å; N86-R88 PolarHBondContact O-N 2.95Å; N86-R88 PolarHBondContact OD1-N 3.33Å; N86-N89 HydrophobicContact CB-CB 4.17Å; N86-N89 PolarHBondContact ND2-ND2 2.88Å; N86-N89 PolarHBondContact ND2-OD1 2.87Å; N86-N89 PolarHBondContact O-N 2.96Å; N86-N89 PolarHBondContact OD1-N 3.17Å; N86-L90 PolarHBondContact O-N 3.22Å; N86-L90 VanDerWaalsContact O-N 3.15Å
87P95.3Very high95.3Very high27 Ų2776.8 Ų76.818%0.17537%0.367CS..Hα-helixtrans-65.2-25.1179.826.7-35.3000112.8L44 M49 Q85 L90 A91L44-P87 HydrophobicContact CB-CB 4.46Å; L44-P87 HydrophobicContact CD2-CB 3.61Å; M49-P87 HydrophobicContact CG-CB 4.46Å; M49-P87 HydrophobicContact SD-CB 4.38Å; Q85-P87 VanDerWaalsContact O-CD 3.29Å; Q85-P87 WeakPolarHBondContact O-CD 3.33Å; P87-L90 PolarHBondContact O-N 3.44Å; P87-A91 WeakPolarHBondContact O-CB 3.42Å; P87-A91 PolarHBondContact O-N 3.03Å
88R95.2Very high95.3Very high180 Ų18075.1 Ų75.168%0.67936%0.361SS*.Hα-helixtrans-67.9-41.4175.3-70.6-176.5179.2167.91.1112.1N86 A91 A92N86-R88 PolarHBondContact O-N 2.95Å; N86-R88 PolarHBondContact OD1-N 3.33Å; R88-A91 WeakPolarHBondContact O-CB 3.45Å; R88-A91 PolarHBondContact O-N 3.33Å; R88-A92 PolarHBondContact O-N 3.05Å
89N95.6Very high95.2Very high105 Ų10580 Ų8056%0.56138%0.379SS*.Hα-helixtrans-66-41.9173.9-76.67.5000111.1N86 A91 A92 F93N86-N89 HydrophobicContact CB-CB 4.17Å; N86-N89 PolarHBondContact ND2-ND2 2.88Å; N86-N89 PolarHBondContact ND2-OD1 2.87Å; N86-N89 PolarHBondContact O-N 2.96Å; N86-N89 PolarHBondContact OD1-N 3.17Å; N89-A91 VanDerWaalsContact C-N 3.31Å; N89-A91 PolarHBondContact O-N 3.34Å; N89-A92 WeakPolarHBondContact O-CB 3.37Å; N89-A92 PolarHBondContact O-N 3.5Å; N89-A92 VanDerWaalsContact O-N 3.12Å; N89-F93 PolarHBondContact O-N 3.11Å
90L95.9Very high95.1Very high29 Ų2976.5 Ų76.515%0.15236%0.361CS..Hα-helixtrans-59.7-42.2173.6179.860.1000111.5L44 M49 L57 L84 N86 P87 A92 F93 I94L44-L90 HydrophobicContact CD1-CD2 4.16Å; L44-L90 HydrophobicContact CD1-CG 4Å; L44-L90 HydrophobicContact CD2-CB 4.42Å; L44-L90 HydrophobicContact CD2-CD2 3.77Å; L44-L90 HydrophobicContact CD2-CG 4.27Å; M49-L90 HydrophobicContact CE-CD2 4.27Å; M49-L90 HydrophobicContact SD-CD2 3.85Å; L57-L90 HydrophobicContact CD1-CD2 3.92Å; L84-L90 HydrophobicContact CD1-CD2 3.9Å; N86-L90 PolarHBondContact O-N 3.22Å; N86-L90 VanDerWaalsContact O-N 3.15Å; P87-L90 PolarHBondContact O-N 3.44Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 2.79Å; L90-F93 HydrophobicContact CD1-CD1 4.42Å; L90-F93 WeakPolarHBondContact O-CB 3.26Å; L90-F93 PolarHBondContact O-N 3.4Å; L90-I94 HydrophobicContact CD1-CD1 4.14Å; L90-I94 HydrophobicContact CD1-CG1 4.2Å; L90-I94 HydrophobicContact CG-CD1 4.05Å; L90-I94 HydrophobicContact CG-CG1 4.49Å; L90-I94 WeakPolarHBondContact O-CG1 3.5Å; L90-I94 PolarHBondContact O-N 2.82Å
91A96.9Very high94.8Very high0 Ų073 Ų730%036%0.356CS..Hα-helixtrans-61-38.8174.300000112.4I41 L44 K45 P87 R88 N89 M95I41-A91 HydrophobicContact CG2-CB 4.34Å; L44-A91 HydrophobicContact CB-CB 3.76Å; L44-A91 HydrophobicContact CD1-CB 4.18Å; K45-A91 HydrophobicContact CG-CB 3.92Å; P87-A91 WeakPolarHBondContact O-CB 3.42Å; P87-A91 PolarHBondContact O-N 3.03Å; R88-A91 WeakPolarHBondContact O-CB 3.45Å; R88-A91 PolarHBondContact O-N 3.33Å; N89-A91 VanDerWaalsContact C-N 3.31Å; N89-A91 PolarHBondContact O-N 3.34Å; A91-M95 WeakPolarHBondContact O-CB 3.45Å; A91-M95 PolarHBondContact O-N 2.75Å
92A96.6Very high94.6Very high60 Ų6074.1 Ų74.150%0.49636%0.363SS..Hα-helixtrans-67.1-38.5176.200000112R88 N89 L90 M95 S96R88-A92 PolarHBondContact O-N 3.05Å; N89-A92 WeakPolarHBondContact O-CB 3.37Å; N89-A92 PolarHBondContact O-N 3.5Å; N89-A92 VanDerWaalsContact O-N 3.12Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 2.79Å; A92-M95 PolarHBondContact O-N 2.71Å; A92-S96 PolarHBondContact O-N 3.31Å
93F95.1Very high94.3Very high137 Ų13772.5 Ų72.560%0.60135%0.346SS*.Hα-helixtrans-65-49.6174.3177.6-99.4000111.9N89 L90 M95 S96 Y97N89-F93 PolarHBondContact O-N 3.11Å; L90-F93 HydrophobicContact CD1-CD1 4.42Å; L90-F93 WeakPolarHBondContact O-CB 3.26Å; L90-F93 PolarHBondContact O-N 3.4Å; F93-M95 VanDerWaalsContact C-N 3.26Å; F93-M95 PolarHBondContact O-N 2.98Å; F93-S96 PolarHBondContact O-N 3.48Å; F93-S96 VanDerWaalsContact O-N 3.08Å; F93-S96 PolarHBondContact O-OG 3.31Å; F93-Y97 PolarHBondContact O-N 3.06Å
94I95.1Very high93.9Very high8 Ų868.9 Ų68.94%0.04134%0.34CS..Hα-helixtrans-61-39175.9-66.7174.6000110.6Q37 I41 L44 Y56 L90 S96 Y97 L98Q37-I94 HydrophobicContact CB-CG2 4.26Å; Q37-I94 HydrophobicContact CG-CG2 4.49Å; I41-I94 HydrophobicContact CD1-CG2 3.97Å; I41-I94 HydrophobicContact CG1-CB 4.19Å; I41-I94 HydrophobicContact CG1-CG2 3.84Å; L44-I94 HydrophobicContact CD1-CD1 3.64Å; Y56-I94 HydrophobicContact CE1-CD1 4.31Å; L90-I94 HydrophobicContact CD1-CD1 4.14Å; L90-I94 HydrophobicContact CD1-CG1 4.2Å; L90-I94 HydrophobicContact CG-CD1 4.05Å; L90-I94 HydrophobicContact CG-CG1 4.49Å; L90-I94 WeakPolarHBondContact O-CG1 3.5Å; L90-I94 PolarHBondContact O-N 2.82Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.08Å; I94-Y97 PolarHBondContact O-N 3.13Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 2.65Å
95M95.9Very high93.5Very high26 Ų2667 Ų6713%0.12833%0.33CS..Hα-helixtrans-65.3-32.9176.2-170.372-152.100112.7I41 A91 A92 F93 R99I41-M95 HydrophobicContact CD1-CB 3.86Å; I41-M95 HydrophobicContact CD1-CG 4.38Å; I41-M95 HydrophobicContact CD1-SD 3.64Å; A91-M95 WeakPolarHBondContact O-CB 3.45Å; A91-M95 PolarHBondContact O-N 2.75Å; A92-M95 PolarHBondContact O-N 2.71Å; F93-M95 VanDerWaalsContact C-N 3.26Å; F93-M95 PolarHBondContact O-N 2.98Å; M95-R99 HydrophobicContact CE-CG 3.83Å; M95-R99 WeakPolarHBondContact O-CB 3.42Å; M95-R99 WeakPolarHBondContact O-CG 3.18Å; M95-R99 PolarHBondContact O-N 2.71Å
96S94.4Very high93.1Very high57 Ų5765.8 Ų65.840%0.39932%0.317SS..Hα-helixtrans-71.2-42.2175.671.40000111.2A92 F93 I94 L98 R99 R100A92-S96 PolarHBondContact O-N 3.31Å; F93-S96 PolarHBondContact O-N 3.48Å; F93-S96 VanDerWaalsContact O-N 3.08Å; F93-S96 PolarHBondContact O-OG 3.31Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.08Å; S96-L98 VanDerWaalsContact C-N 3.34Å; S96-L98 PolarHBondContact O-N 3.26Å; S96-R99 PolarHBondContact O-N 3.04Å; S96-R100 PolarHBondContact O-N 3.47Å
97Y93.7Very high92.5Very high54 Ų5466.7 Ų66.721%0.21232%0.315CS..Hα-helixtrans-61.3-41.7173.6-179.4-101.4000112.1V25 E33 F93 I94 R99 R100V25-Y97 WeakPolarHBondContact CG2-OH 3.24Å; E33-Y97 WeakPolarHBondContact OE1-CE1 3.36Å; F93-Y97 PolarHBondContact O-N 3.06Å; I94-Y97 PolarHBondContact O-N 3.13Å; Y97-R99 PolarHBondContact O-N 2.94Å; Y97-R100 VanDerWaalsContact O-CB 3.31Å; Y97-R100 WeakPolarHBondContact O-CB 3.17Å; Y97-R100 WeakPolarHBondContact O-CD 3.49Å; Y97-R100 WeakPolarHBondContact O-CG 2.97Å; Y97-R100 PolarHBondContact O-N 3.13Å; Y97-R100 PolarHBondContact O-NH1 3.23Å; Y97-R100 VanDerWaalsContact O-NH1 3.11Å
98L94.3Very high91.4Very high9 Ų973.9 Ų73.95%0.04735%0.346CS..Hα-helixtrans-66.9-26.3177.6-176.464.8000113.1A29 W34 Q37 K38 I41 I94 S96 R100A29-L98 HydrophobicContact CB-CD1 3.55Å; W34-L98 HydrophobicContact CB-CD1 4.02Å; W34-L98 HydrophobicContact CG-CD1 4.38Å; W34-L98 HydrophobicContact CG-CD2 4.41Å; Q37-L98 HydrophobicContact CB-CB 4.5Å; Q37-L98 HydrophobicContact CB-CD1 3.9Å; Q37-L98 HydrophobicContact CB-CD2 3.81Å; Q37-L98 HydrophobicContact CB-CG 4.26Å; Q37-L98 HydrophobicContact CG-CD1 4.02Å; K38-L98 HydrophobicContact CD-CD2 4.22Å; K38-L98 HydrophobicContact CG-CD2 4.07Å; I41-L98 HydrophobicContact CD1-CD2 4.22Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 2.65Å; S96-L98 VanDerWaalsContact C-N 3.34Å; S96-L98 PolarHBondContact O-N 3.26Å; L98-R100 VanDerWaalsContact C-N 3.28Å
99R95Very high89.9Confident190 Ų19069 Ų6972%0.71735%0.352SS*.THydrogen-bonded Turntrans-87.79177-76.9177166.61752.6113.4M95 S96 Y97 S101M95-R99 HydrophobicContact CE-CG 3.83Å; M95-R99 WeakPolarHBondContact O-CB 3.42Å; M95-R99 WeakPolarHBondContact O-CG 3.18Å; M95-R99 PolarHBondContact O-N 2.71Å; S96-R99 PolarHBondContact O-N 3.04Å; Y97-R99 PolarHBondContact O-N 2.94Å; R99-S101 PolarHBondContact O-N 3.06Å
100R93.5Very high88.3Confident33 Ų3366.2 Ų66.213%0.12534%0.341CS..PPolyproline II helixtrans-57.7137.9175.670.3-172-177.3-85.43.2109.9T27 E33 S96 Y97 L98T27-R100 WeakPolarHBondContact O-CD 3.28Å; T27-R100 PolarHBondContact O-NE 3.46Å; E33-R100 VanDerWaalsContact CD-NH2 3.26Å; E33-R100 IonicContact OE1-CZ 2.94Å; E33-R100 IonicContact OE1-NH1 2.67Å; E33-R100 PolarHBondContact OE1-NH1 3.3Å; E33-R100 IonicContact OE1-NH2 3.58Å; E33-R100 PolarHBondContact OE1-NH2 3.35Å; E33-R100 VanDerWaalsContact OE1-NH2 3.12Å; E33-R100 IonicContact OE2-CZ 3.3Å; E33-R100 IonicContact OE2-NH1 3.35Å; E33-R100 IonicContact OE2-NH2 2.71Å; E33-R100 PolarHBondContact OE2-NH2 3.47Å; S96-R100 PolarHBondContact O-N 3.47Å; Y97-R100 VanDerWaalsContact O-CB 3.31Å; Y97-R100 WeakPolarHBondContact O-CB 3.17Å; Y97-R100 WeakPolarHBondContact O-CD 3.49Å; Y97-R100 WeakPolarHBondContact O-CG 2.97Å; Y97-R100 PolarHBondContact O-N 3.13Å; Y97-R100 PolarHBondContact O-NH1 3.23Å; Y97-R100 VanDerWaalsContact O-NH1 3.11Å; L98-R100 VanDerWaalsContact C-N 3.28Å
101S91Very high87.1Confident57 Ų5767.3 Ų67.340%0.39935%0.348SS..PPolyproline II helixtrans-96.7157.4170.955.40000109.1R99 L103R99-S101 PolarHBondContact O-N 3.06Å; S101-L103 PolarHBondContact O-N 3Å
102D91.5Very high86.5Confident35 Ų3567.9 Ų67.919%0.18735%0.352CS..PPolyproline II helixtrans-54.8134169.9-164.6-75.2000110.2C26 S28 N104 R136C26-D102 CarbonylContact O-C 3.55Å; C26-D102 WeakPolarHBondContact O-CA 3.42Å; S28-D102 PolarHBondContact OG-N 3.05Å; D102-N104 PolarHBondContact O-N 3.41Å; D102-N104 PolarHBondContact O-ND2 2.95Å; D102-N104 VanDerWaalsContact OD1-CA 3.26Å; D102-N104 WeakPolarHBondContact OD1-CA 3.44Å; D102-N104 PolarHBondContact OD1-N 3.42Å; D102-R136 IonicContact OD1-NH1 3.63Å; D102-R136 PolarHBondContact OD1-NH1 2.69Å; D102-R136 IonicContact OD2-CZ 3.12Å; D102-R136 IonicContact OD2-NH1 2.72Å; D102-R136 PolarHBondContact OD2-NH1 3.14Å; D102-R136 IonicContact OD2-NH2 3.64Å
103L88.9Confident85.8Confident22 Ų2269.6 Ų69.612%0.11535%0.35CS..  trans-72.2-12.5179.9-65.4-176.7000112.4F7 L10 C26 S101 V105F7-L103 HydrophobicContact CD2-CD1 4.11Å; F7-L103 HydrophobicContact CE2-CD1 4.16Å; L10-L103 HydrophobicContact CD1-CB 4.33Å; C26-L103 HydrophobicContact CB-CB 4.37Å; C26-L103 HydrophobicContact CB-CD1 3.9Å; C26-L103 HydrophobicContact CB-CG 4.25Å; C26-L103 PolarHBondContact O-N 2.75Å; S101-L103 PolarHBondContact O-N 3Å; L103-V105 HydrophobicContact CB-CG2 3.87Å; L103-V105 PolarHBondContact O-N 2.82Å
104N86.9Confident85.5Confident99 Ų9963.5 Ų63.553%0.52932%0.324SS..  trans52.731.7-178.9-64.2-80.2000113.2D102D102-N104 PolarHBondContact O-N 3.41Å; D102-N104 PolarHBondContact O-ND2 2.95Å; D102-N104 VanDerWaalsContact OD1-CA 3.26Å; D102-N104 WeakPolarHBondContact OD1-CA 3.44Å; D102-N104 PolarHBondContact OD1-N 3.42Å
105V86Confident85.3Confident7 Ų764 Ų644%0.04233%0.328CS..  trans-65.3133.7172.6-177.30000108.4L10 L103 V112 R136 L137L10-V105 HydrophobicContact CD2-CG2 4.31Å; L103-V105 HydrophobicContact CB-CG2 3.87Å; L103-V105 PolarHBondContact O-N 2.82Å; V105-V112 HydrophobicContact CG1-CG2 4.38Å; V105-V112 HydrophobicContact CG2-CG2 4.33Å; V105-R136 HydrophobicContact CB-CB 4.26Å; V105-R136 HydrophobicContact CG1-CB 4.19Å; V105-R136 WeakPolarHBondContact O-CB 3.42Å; V105-L137 HydrophobicContact CG1-CD2 3.79Å; V105-L137 HydrophobicContact CG1-CG 4.37Å
106R84.4Confident85.2Confident170 Ų17063 Ų6364%0.64232%0.323SS*.  trans-137.9149.3178.7-64-179.2179.4-168.8-1.8109.3R136R106-R136 CarbonylContact C-O 3.48Å
107R81.8Confident85.2Confident96 Ų9660.2 Ų60.236%0.36230%0.304SS..THydrogen-bonded Turntrans-63.6-49173.7-67.4-172.6-179.4170.26.1111.1S135 R136 A232 A233R107-S135 PolarHBondContact NE-O 2.98Å; R107-S135 PolarHBondContact NH2-O 3.43Å; R107-R136 PolarHBondContact N-O 3.1Å; R107-R136 VanDerWaalsContact N-O 3.12Å; R107-A232 PolarHBondContact NH2-O 2.72Å; R107-A233 PolarHBondContact NH1-O 3.29Å
108E71.2Confident85.4Confident178 Ų17857.9 Ų57.983%0.83229%0.294SS*.THydrogen-bonded Turntrans-88.8130.4-179.5-63178.2-176.700111.1
109G65.3Low85.5Confident78 Ų7857.5 Ų57.580%0.80429%0.293SS*.THydrogen-bonded Turntrans76.531.3-174.300000113.5T111G109-T111 PolarHBondContact O-N 2.88Å
110S60.2Low85.5Confident46 Ų4648.5 Ų48.532%0.32226%0.259SS..THydrogen-bonded Turntrans-35.2120.6-166.261.40000114.8
111T71.5Confident85.6Confident51 Ų5146.9 Ų46.931%0.31325%0.253SS..SBendtrans-84.4-22.817459.10000112.5L10 G109L10-T111 HydrophobicContact CD2-CG2 4.44Å; L10-T111 WeakPolarHBondContact CD2-O 3.14Å; L10-T111 WeakPolarHBondContact CD2-OG1 3.35Å; G109-T111 PolarHBondContact O-N 2.88Å
112V83.3Confident85.7Confident12 Ų1246.3 Ų46.37%0.07325%0.249CC..  trans-109.3101.7174.9-173.30000108.1F7 L10 V105 V116 L137F7-V112 HydrophobicContact CE1-CG2 4.13Å; L10-V112 HydrophobicContact CD2-CG2 3.45Å; L10-V112 VanDerWaalsContact CD2-CG2 3.45Å; L10-V112 HydrophobicContact CG-CG2 4.34Å; V105-V112 HydrophobicContact CG1-CG2 4.38Å; V105-V112 HydrophobicContact CG2-CG2 4.33Å; V112-V116 HydrophobicContact CG1-CG2 3.7Å; V112-L137 HydrophobicContact CB-CD2 4.33Å; V112-L137 HydrophobicContact CG2-CD2 4.39Å
113E82.8Confident85.8Confident97 Ų9745.5 Ų45.545%0.45325%0.248SC..  trans-84.5-26.3-177.8-67-178.6168.900113.1P13 K141P13-E113 HydrophobicContact CB-CB 4.4Å; P13-E113 HydrophobicContact CB-CG 4.28Å; E113-K141 WeakPolarHBondContact O-CD 3.28Å; E113-K141 PolarHBondContact O-NZ 2.9Å
114C88Confident86.1Confident8 Ų844.7 Ų44.75%0.05425%0.245CC..SBendtrans-80.3151.4-176.166.80000112.2V16 V116V16-C114 HydrophobicContact CG1-CB 4.43Å; V16-C114 VanDerWaalsContact O-CB 3.26Å; V16-C114 WeakPolarHBondContact O-CB 3.43Å; C114-V116 WeakPolarHBondContact O-CG2 3.17Å
115P91.9Very high86.4Confident20 Ų2041.6 Ų41.613%0.1323%0.23CC..  trans-50.8142.6167.6-24.930.6000113.2E17 L19 K141 F169 E173E17-P115 WeakPolarHBondContact O-CD 3.43Å; L19-P115 PolarHBondContact N-O 2.87Å; P115-K141 CarbonylContact C-O 3.21Å; P115-K141 VanDerWaalsContact CA-O 3.27Å; P115-K141 WeakPolarHBondContact CA-O 3.31Å; P115-F169 HydrophobicContact CB-CE2 3.82Å; P115-F169 HydrophobicContact CB-CZ 3.8Å; P115-E173 HydrophobicContact CB-CG 3.94Å; P115-E173 HydrophobicContact CG-CG 3.99Å; P115-E173 WeakPolarHBondContact CG-OE2 3.47Å
116V93.2Very high86.7Confident3 Ų342 Ų422%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-130.4121-177.7-171.80000111.2L19 L21 V112 C114 Q118 L137 K141 S142 N143L19-V116 HydrophobicContact CB-CG1 4.44Å; L19-V116 HydrophobicContact CB-CG2 4.32Å; L19-V116 HydrophobicContact CD2-CG1 4.42Å; L19-V116 HydrophobicContact CD2-CG2 4.47Å; L19-V116 CarbonylContact O-C 3.51Å; L19-V116 WeakPolarHBondContact O-CA 3.13Å; L21-V116 HydrophobicContact CD1-CG1 3.58Å; L21-V116 HydrophobicContact CG-CG1 3.97Å; V112-V116 HydrophobicContact CG1-CG2 3.7Å; C114-V116 WeakPolarHBondContact O-CG2 3.17Å; V116-Q118 HydrophobicContact CG1-CG 3.93Å; V116-L137 HydrophobicContact CB-CD1 4.41Å; V116-L137 HydrophobicContact CG1-CD1 4.16Å; V116-L137 HydrophobicContact CG2-CD2 4.31Å; V116-K141 PolarHBondContact N-O 3.08Å; V116-S142 CarbonylContact O-C 3.27Å; V116-S142 VanDerWaalsContact O-CA 3.28Å; V116-S142 WeakPolarHBondContact O-CA 3.06Å; V116-N143 PolarHBondContact O-N 3.14Å
117L95.9Very high87.2Confident0 Ų034.8 Ų34.80%021%0.205CC..EExtended strand (participates in β ladder)trans-95.8124.7164177.264000109.7L19 I20 L21 L119 N143 A165 I166 F169L19-L117 PolarHBondContact O-N 3.39Å; I20-L117 CarbonylContact C-O 3.56Å; I20-L117 WeakPolarHBondContact CA-O 3.5Å; I20-L117 HydrophobicContact CG1-CB 4.32Å; I20-L117 HydrophobicContact CG1-CD2 4.45Å; I20-L117 HydrophobicContact CG2-CD2 4.36Å; L21-L117 PolarHBondContact N-O 3.15Å; L117-L119 HydrophobicContact CD1-CD2 4.43Å; L117-L119 HydrophobicContact CD2-CD1 4.34Å; L117-L119 HydrophobicContact CD2-CD2 4.49Å; L117-L119 HydrophobicContact CD2-CG 4.39Å; L117-L119 HydrophobicContact CG-CD2 4.43Å; L117-L119 HydrophobicContact CG-CG 4.23Å; L117-N143 CarbonylContact C-O 3.42Å; L117-N143 HydrophobicContact CD1-CB 4.08Å; L117-A165 HydrophobicContact CD2-CB 4.35Å; L117-I166 HydrophobicContact CD2-CG1 4.03Å; L117-F169 HydrophobicContact CB-CB 4.42Å; L117-F169 HydrophobicContact CB-CD1 3.68Å; L117-F169 HydrophobicContact CB-CD2 4.01Å; L117-F169 HydrophobicContact CB-CE1 3.8Å; L117-F169 HydrophobicContact CB-CE2 4.13Å; L117-F169 HydrophobicContact CB-CG 3.77Å; L117-F169 HydrophobicContact CB-CZ 4.02Å; L117-F169 HydrophobicContact CD2-CB 3.9Å; L117-F169 HydrophobicContact CD2-CD1 4.09Å; L117-F169 HydrophobicContact CD2-CG 4.1Å; L117-F169 HydrophobicContact CG-CD1 4.49Å; L117-F169 HydrophobicContact CG-CG 4.4Å
118Q96.7Very high87.8Confident4 Ų436.4 Ų36.42%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-111.4127.6175.9-59.9169.485.800109.7L21 V116 N134 L137 N143 W144 M145L21-Q118 HydrophobicContact CB-CG 4.37Å; L21-Q118 HydrophobicContact CD1-CG 4.34Å; L21-Q118 CarbonylContact O-C 3.6Å; L21-Q118 WeakPolarHBondContact O-CA 3.47Å; V116-Q118 HydrophobicContact CG1-CG 3.93Å; Q118-N134 PolarHBondContact NE2-OD1 3Å; Q118-L137 HydrophobicContact CG-CD1 4.32Å; Q118-N143 PolarHBondContact N-O 3.13Å; Q118-W144 HydrophobicContact CB-CB 4.27Å; Q118-W144 HydrophobicContact CB-CG 4.25Å; Q118-M145 PolarHBondContact O-N 3.14Å
119L96.6Very high88.8Confident2 Ų230 Ų301%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-121.4132.5-179.8-63.9168.9000109.8I20 L21 V22 N23 L117 M145 V162 A165I20-L119 HydrophobicContact CG2-CD1 4.17Å; L21-L119 PolarHBondContact O-N 3.3Å; V22-L119 WeakPolarHBondContact CA-O 3.49Å; V22-L119 HydrophobicContact CG2-CB 4.33Å; V22-L119 HydrophobicContact CG2-CD1 4.35Å; N23-L119 PolarHBondContact N-O 2.77Å; L117-L119 HydrophobicContact CD1-CD2 4.43Å; L117-L119 HydrophobicContact CD2-CD1 4.34Å; L117-L119 HydrophobicContact CD2-CD2 4.49Å; L117-L119 HydrophobicContact CD2-CG 4.39Å; L117-L119 HydrophobicContact CG-CD2 4.43Å; L117-L119 HydrophobicContact CG-CG 4.23Å; L119-M145 HydrophobicContact CD2-CB 4.03Å; L119-M145 HydrophobicContact CD2-CG 4.04Å; L119-M145 HydrophobicContact CD2-SD 3.77Å; L119-V162 HydrophobicContact CD1-CG1 3.76Å; L119-V162 HydrophobicContact CD1-CG2 4.4Å; L119-A165 HydrophobicContact CD2-CB 4.06Å
120V95.9Very high90.2Very high0 Ų026.4 Ų26.40%016%0.155CC..EExtended strand (participates in β ladder)trans-146.1139176.563.30000109.5N23 I127 T130 W144 M145 K146 V147N23-V120 WeakPolarHBondContact OD1-CG2 3.32Å; V120-I127 HydrophobicContact CG2-CB 4.43Å; V120-I127 HydrophobicContact CG2-CG1 3.64Å; V120-T130 HydrophobicContact CB-CG2 4.08Å; V120-T130 HydrophobicContact CG2-CG2 4.02Å; V120-W144 HydrophobicContact CG1-CH2 4.28Å; V120-W144 HydrophobicContact CG1-CZ2 3.46Å; V120-W144 VanDerWaalsContact CG1-CZ2 3.46Å; V120-M145 PolarHBondContact N-O 3.33Å; V120-K146 HydrophobicContact CG1-CB 4.28Å; V120-K146 HydrophobicContact CG1-CG 4.38Å; V120-K146 CarbonylContact O-C 3.3Å; V120-K146 VanDerWaalsContact O-CA 3.28Å; V120-K146 WeakPolarHBondContact O-CA 3.11Å; V120-V147 PolarHBondContact O-N 3.29Å
121G94.5Very high91.9Very high0 Ų025.5 Ų25.50%015%0.147CC..EExtended strand (participates in β ladder)trans-81.1150173.900000111.8G123 S124 I127 V147 S150 S151 V154G121-G123 PolarHBondContact O-N 2.94Å; G121-S124 WeakPolarHBondContact O-CB 3.33Å; G121-S124 PolarHBondContact O-N 3.49Å; G121-I127 WeakPolarHBondContact O-CD1 3.31Å; G121-V147 CarbonylContact C-O 3.54Å; G121-S150 CarbonylContact C-O 3.55Å; G121-S151 VanDerWaalsContact CA-O 3.25Å; G121-S151 WeakPolarHBondContact CA-O 3.45Å; G121-V154 VanDerWaalsContact CA-CG1 3.44Å; G121-V154 VanDerWaalsContact N-CG1 3.29Å
122S93.7Very high92.9Very high45 Ų4526.5 Ų26.532%0.31515%0.149SC..THydrogen-bonded Turntrans-63.5-21.4-175.262.90000114.9I127 V147 D149 S150S122-I127 WeakPolarHBondContact O-CD1 3.47Å; S122-V147 WeakPolarHBondContact CB-O 3.48Å; S122-V147 PolarHBondContact N-O 2.84Å; S122-V147 PolarHBondContact OG-O 3.39Å; S122-D149 PolarHBondContact OG-N 2.99Å; S122-S150 PolarHBondContact N-O 3.38Å; S122-S150 VanDerWaalsContact N-O 3.12Å
123G93.1Very high93.3Very high17 Ų1726 Ų2618%0.17515%0.146CC..THydrogen-bonded Turntrans-106.58.7172.700000114.2Y69 G121 S150Y69-G123 WeakPolarHBondContact OH-CA 3.49Å; G121-G123 PolarHBondContact O-N 2.94Å; G123-S150 PolarHBondContact N-O 3.17Å
124S94.5Very high93.8Very high6 Ų622.4 Ų22.44%0.04213%0.129CC..  trans-62.5135.1178.1177.70000111.2N23 G121 H126 I127N23-S124 WeakPolarHBondContact OD1-CB 3.33Å; N23-S124 PolarHBondContact OD1-OG 3.12Å; G121-S124 WeakPolarHBondContact O-CB 3.33Å; G121-S124 PolarHBondContact O-N 3.49Å; S124-H126 PolarHBondContact O-N 3.12Å; S124-H126 VanDerWaalsContact O-N 3.13Å; S124-H126 PolarHBondContact OG-N 2.79Å; S124-I127 WeakPolarHBondContact O-CD1 3.25Å; S124-I127 WeakPolarHBondContact O-CG1 3.37Å; S124-I127 PolarHBondContact O-N 2.86Å
125P93.2Very high94Very high34 Ų3423.4 Ų23.422%0.22114%0.136CC..THydrogen-bonded Turntrans-66.6-11.4174.829.2-35000113W59 H60W59-P125 HydrophobicContact CH2-CB 4.36Å; W59-P125 HydrophobicContact CZ2-CB 3.86Å; H60-P125 WeakPolarHBondContact O-CG 3.46Å
126H93.5Very high94Very high14 Ų1424.7 Ų24.77%0.06514%0.139CC..THydrogen-bonded Turntrans-99.85.9-174.6-54.3-63.3000113.9N23 V25 H60 S124 N128 D129 T130N23-H126 HydrophobicContact CB-CB 4.19Å; V25-H126 HydrophobicContact CG2-CB 4.42Å; H60-H126 AromaticContact CD2-CE1 3.87Å; H60-H126 AromaticContact CD2-NE2 3.93Å; H60-H126 AromaticContact CE1-CE1 3.86Å; H60-H126 AromaticContact CE1-NE2 3.4Å; H60-H126 PolarHBondContact CE1-NE2 2.77Å; H60-H126 AromaticContact ND1-NE2 3.83Å; H60-H126 AromaticContact NE2-CE1 3.48Å; H60-H126 PolarHBondContact NE2-CE1 3.23Å; H60-H126 AromaticContact NE2-NE2 3.51Å; S124-H126 PolarHBondContact O-N 3.12Å; S124-H126 VanDerWaalsContact O-N 3.13Å; S124-H126 PolarHBondContact OG-N 2.79Å; H126-N128 VanDerWaalsContact C-N 3.32Å; H126-N128 PolarHBondContact O-N 3.23Å; H126-D129 WeakPolarHBondContact O-CB 3.36Å; H126-D129 PolarHBondContact O-N 2.98Å; H126-T130 PolarHBondContact O-N 3.3Å
127I93.9Very high93.9Very high20 Ų2025 Ų2510%0.10314%0.14CC..Hα-helixtrans-50.5-50.6-177-71.5162000112V120 G121 S122 S124 D129 T130 V131V120-I127 HydrophobicContact CG2-CB 4.43Å; V120-I127 HydrophobicContact CG2-CG1 3.64Å; G121-I127 WeakPolarHBondContact O-CD1 3.31Å; S122-I127 WeakPolarHBondContact O-CD1 3.47Å; S124-I127 WeakPolarHBondContact O-CD1 3.25Å; S124-I127 WeakPolarHBondContact O-CG1 3.37Å; S124-I127 PolarHBondContact O-N 2.86Å; I127-D129 VanDerWaalsContact C-N 3.28Å; I127-D129 PolarHBondContact O-N 3.19Å; I127-T130 PolarHBondContact O-N 2.8Å; I127-T130 PolarHBondContact O-OG1 2.83Å; I127-V131 HydrophobicContact CG2-CG2 4.33Å; I127-V131 WeakPolarHBondContact O-CG2 3.45Å; I127-V131 PolarHBondContact O-N 3.33Å
128N94.1Very high93.5Very high130 Ų13027.3 Ų27.370%0.69515%0.152SC*.Hα-helixtrans-61.5-37.5-178.1-66.1-27000112.3H126 T130 V131 E132H126-N128 VanDerWaalsContact C-N 3.32Å; H126-N128 PolarHBondContact O-N 3.23Å; N128-T130 VanDerWaalsContact C-N 3.32Å; N128-T130 PolarHBondContact O-N 2.91Å; N128-V131 PolarHBondContact O-N 3.28Å; N128-E132 PolarHBondContact O-N 3.12Å
129D93.7Very high93.2Very high42 Ų4230.1 Ų30.123%0.22517%0.171CC..Hα-helixtrans-65.9-35.9175.9-63.7-57.5000111.9V25 H126 I127 L133V25-D129 HydrophobicContact CB-CB 4.14Å; V25-D129 HydrophobicContact CG1-CB 3.99Å; V25-D129 HydrophobicContact CG2-CB 3.71Å; H126-D129 WeakPolarHBondContact O-CB 3.36Å; H126-D129 PolarHBondContact O-N 2.98Å; I127-D129 VanDerWaalsContact C-N 3.28Å; I127-D129 PolarHBondContact O-N 3.19Å; D129-L133 PolarHBondContact O-N 3.36Å
130T94.3Very high92.8Very high3 Ų334 Ų342%0.01820%0.195CC..Hα-helixtrans-72.5-32.7175.669.40000112.6V120 H126 I127 N128 L133 N134 W144V120-T130 HydrophobicContact CB-CG2 4.08Å; V120-T130 HydrophobicContact CG2-CG2 4.02Å; H126-T130 PolarHBondContact O-N 3.3Å; I127-T130 PolarHBondContact O-N 2.8Å; I127-T130 PolarHBondContact O-OG1 2.83Å; N128-T130 VanDerWaalsContact C-N 3.32Å; N128-T130 PolarHBondContact O-N 2.91Å; T130-L133 PolarHBondContact O-N 3.2Å; T130-N134 WeakPolarHBondContact O-CB 3.43Å; T130-N134 PolarHBondContact O-N 3.26Å; T130-W144 PolarHBondContact OG1-NE1 2.91Å; T130-W144 VanDerWaalsContact OG1-NE1 3.13Å
131V95Very high92.3Very high27 Ų2737.9 Ų37.916%0.16421%0.212CC..Hα-helixtrans-66.8-42.4174.1172.90000109.9I127 N128 N134 S135 W144 E228 A232I127-V131 HydrophobicContact CG2-CG2 4.33Å; I127-V131 WeakPolarHBondContact O-CG2 3.45Å; I127-V131 PolarHBondContact O-N 3.33Å; N128-V131 PolarHBondContact O-N 3.28Å; V131-N134 PolarHBondContact O-N 2.8Å; V131-S135 PolarHBondContact O-N 2.89Å; V131-W144 HydrophobicContact CG2-CH2 4.42Å; V131-W144 HydrophobicContact CG2-CZ2 3.94Å; V131-E228 HydrophobicContact CG2-CB 4.13Å; V131-A232 HydrophobicContact CG1-CB 4.29Å
132E93.2Very high92.2Very high73 Ų7338.1 Ų38.134%0.34121%0.214SC..Hα-helixtrans-60-46.6173.4177.361.2-159.800111.6T27 N128 N134 S135 R136T27-E132 HydrophobicContact CG2-CG 3.86Å; N128-E132 PolarHBondContact O-N 3.12Å; E132-N134 VanDerWaalsContact C-N 3.35Å; E132-N134 PolarHBondContact O-N 2.83Å; E132-S135 WeakPolarHBondContact O-CB 3.31Å; E132-S135 PolarHBondContact O-N 3.13Å; E132-S135 PolarHBondContact O-OG 2.91Å; E132-R136 WeakPolarHBondContact O-CG 3.38Å; E132-R136 PolarHBondContact O-N 3.47Å; E132-R136 IonicContact OE1-CZ 2.69Å; E132-R136 IonicContact OE1-NE 3.14Å; E132-R136 PolarHBondContact OE1-NE 3.16Å; E132-R136 IonicContact OE1-NH2 3.99Å; E132-R136 PolarHBondContact OE1-NH2 3.12Å
133L92.4Very high92.2Very high2 Ų236.9 Ų36.91%0.0120%0.203CC..Hα-helixtrans-60.3-45.4175174.757.8000111.6L21 C24 C26 D129 T130 S135 R136 L137L21-L133 HydrophobicContact CD1-CD2 3.73Å; C24-L133 HydrophobicContact CB-CD2 3.79Å; C26-L133 HydrophobicContact CB-CB 4.05Å; C26-L133 HydrophobicContact CB-CD1 3.74Å; C26-L133 HydrophobicContact CB-CG 4.3Å; D129-L133 PolarHBondContact O-N 3.36Å; T130-L133 PolarHBondContact O-N 3.2Å; L133-S135 PolarHBondContact O-N 3.04Å; L133-R136 PolarHBondContact O-N 2.72Å; L133-L137 HydrophobicContact CD1-CD1 4.02Å; L133-L137 HydrophobicContact CD1-CG 4.06Å; L133-L137 HydrophobicContact CG-CD1 3.91Å; L133-L137 HydrophobicContact CG-CG 4.42Å; L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 2.62Å
134N93.3Very high92.3Very high21 Ų2137.7 Ų37.711%0.11220%0.201CC..Hα-helixtrans-59.3-37.6177.9-170.360.8000111.8Q118 T130 V131 E132 R136 L137 W144Q118-N134 PolarHBondContact NE2-OD1 3Å; T130-N134 WeakPolarHBondContact O-CB 3.43Å; T130-N134 PolarHBondContact O-N 3.26Å; V131-N134 PolarHBondContact O-N 2.8Å; E132-N134 VanDerWaalsContact C-N 3.35Å; E132-N134 PolarHBondContact O-N 2.83Å; N134-R136 PolarHBondContact O-N 3.32Å; N134-L137 PolarHBondContact O-N 2.73Å; N134-W144 HydrophobicContact CB-CB 4.46Å; N134-W144 HydrophobicContact CB-CG 4.33Å; N134-W144 WeakPolarHBondContact OD1-CB 3.46Å
135S92Very high92.4Very high29 Ų2937.8 Ų37.820%0.20320%0.201CC..Hα-helixtrans-61.2-29.6175.4850000112.8R107 V131 E132 L133R107-S135 PolarHBondContact NE-O 2.98Å; R107-S135 PolarHBondContact NH2-O 3.43Å; V131-S135 PolarHBondContact O-N 2.89Å; E132-S135 WeakPolarHBondContact O-CB 3.31Å; E132-S135 PolarHBondContact O-N 3.13Å; E132-S135 PolarHBondContact O-OG 2.91Å; L133-S135 PolarHBondContact O-N 3.04Å
136R90.9Very high92.5Very high47 Ų4738.8 Ų38.818%0.17720%0.202CC..Hα-helixtrans-89.6-19-176.4-65.1176.9-172.5-162.33.6113.9D102 V105 R106 R107 E132 L133 N134D102-R136 IonicContact OD1-NH1 3.63Å; D102-R136 PolarHBondContact OD1-NH1 2.69Å; D102-R136 IonicContact OD2-CZ 3.12Å; D102-R136 IonicContact OD2-NH1 2.72Å; D102-R136 PolarHBondContact OD2-NH1 3.14Å; D102-R136 IonicContact OD2-NH2 3.64Å; V105-R136 HydrophobicContact CB-CB 4.26Å; V105-R136 HydrophobicContact CG1-CB 4.19Å; V105-R136 WeakPolarHBondContact O-CB 3.42Å; R106-R136 CarbonylContact C-O 3.48Å; R107-R136 PolarHBondContact N-O 3.1Å; R107-R136 VanDerWaalsContact N-O 3.12Å; E132-R136 WeakPolarHBondContact O-CG 3.38Å; E132-R136 PolarHBondContact O-N 3.47Å; E132-R136 IonicContact OE1-CZ 2.69Å; E132-R136 IonicContact OE1-NE 3.14Å; E132-R136 PolarHBondContact OE1-NE 3.16Å; E132-R136 IonicContact OE1-NH2 3.99Å; E132-R136 PolarHBondContact OE1-NH2 3.12Å; L133-R136 PolarHBondContact O-N 2.72Å; N134-R136 PolarHBondContact O-N 3.32Å
137L90.8Very high92.5Very high9 Ų938.1 Ų38.15%0.04720%0.199CC..SBendtrans-81.9156.2-179.7-72168.1000111.4V105 V112 V116 Q118 L133 N134 P139V105-L137 HydrophobicContact CG1-CD2 3.79Å; V105-L137 HydrophobicContact CG1-CG 4.37Å; V112-L137 HydrophobicContact CB-CD2 4.33Å; V112-L137 HydrophobicContact CG2-CD2 4.39Å; V116-L137 HydrophobicContact CB-CD1 4.41Å; V116-L137 HydrophobicContact CG1-CD1 4.16Å; V116-L137 HydrophobicContact CG2-CD2 4.31Å; Q118-L137 HydrophobicContact CG-CD1 4.32Å; L133-L137 HydrophobicContact CD1-CD1 4.02Å; L133-L137 HydrophobicContact CD1-CG 4.06Å; L133-L137 HydrophobicContact CG-CD1 3.91Å; L133-L137 HydrophobicContact CG-CG 4.42Å; L133-L137 WeakPolarHBondContact O-CG 3.44Å; L133-L137 PolarHBondContact O-N 2.62Å; N134-L137 PolarHBondContact O-N 2.73Å; L137-P139 WeakPolarHBondContact O-CD 3.44Å
138D88.5Confident92.4Very high48 Ų4838.6 Ų38.626%0.25720%0.204SC..  trans-68.2113.9172.4179.6-10.8000109.2T140 K141 S142D138-T140 PolarHBondContact O-N 3.05Å; D138-T140 WeakPolarHBondContact OD1-CB 3.21Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.35Å; D138-T140 PolarHBondContact OD1-N 2.78Å; D138-T140 PolarHBondContact OD1-OG1 3.15Å; D138-T140 PolarHBondContact OD2-OG1 3.19Å; D138-T140 VanDerWaalsContact OD2-OG1 3.05Å; D138-K141 PolarHBondContact O-N 3.21Å; D138-S142 PolarHBondContact O-N 3.43Å; D138-S142 PolarHBondContact O-OG 3.38Å
139P89.6Confident92.2Very high63 Ų6338.3 Ų38.341%0.40920%0.203SC..THydrogen-bonded Turntrans-62.4-18.6-177.127.6-36000112.5L137 K141 R215L137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-K141 VanDerWaalsContact C-N 3.33Å; P139-R215 PolarHBondContact O-NH1 3.44Å
140T87.8Confident92.1Very high83 Ų8336.3 Ų36.351%0.50919%0.192SC..THydrogen-bonded Turntrans-75.8-21.8176.770.40000113.1D138 R215D138-T140 PolarHBondContact O-N 3.05Å; D138-T140 WeakPolarHBondContact OD1-CB 3.21Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.35Å; D138-T140 PolarHBondContact OD1-N 2.78Å; D138-T140 PolarHBondContact OD1-OG1 3.15Å; D138-T140 PolarHBondContact OD2-OG1 3.19Å; D138-T140 VanDerWaalsContact OD2-OG1 3.05Å; T140-R215 PolarHBondContact O-NH1 3.25Å
141K87.2Confident92Very high82 Ų8236.2 Ų36.236%0.35719%0.191SC..THydrogen-bonded Turntrans-117-5.6-176.6-62.9-178.3179.1-176.50114.1E113 P115 V116 D138 P139E113-K141 WeakPolarHBondContact O-CD 3.28Å; E113-K141 PolarHBondContact O-NZ 2.9Å; P115-K141 CarbonylContact C-O 3.21Å; P115-K141 VanDerWaalsContact CA-O 3.27Å; P115-K141 WeakPolarHBondContact CA-O 3.31Å; V116-K141 PolarHBondContact N-O 3.08Å; D138-K141 PolarHBondContact O-N 3.21Å; P139-K141 VanDerWaalsContact C-N 3.33Å
142S91.2Very high91.9Very high6 Ų635.4 Ų35.44%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-113.5136.5-179.964.60000112.8V116 D138 R215V116-S142 CarbonylContact O-C 3.27Å; V116-S142 VanDerWaalsContact O-CA 3.28Å; V116-S142 WeakPolarHBondContact O-CA 3.06Å; D138-S142 PolarHBondContact O-N 3.43Å; D138-S142 PolarHBondContact O-OG 3.38Å; S142-R215 PolarHBondContact O-NH1 2.79Å
143N93.3Very high91.9Very high19 Ų1932.4 Ų32.410%0.10217%0.174CC..EExtended strand (participates in β ladder)trans-113.8134.2169.7-72.6-7.6000108.9V116 L117 Q118 R215V116-N143 PolarHBondContact O-N 3.14Å; L117-N143 CarbonylContact C-O 3.42Å; L117-N143 HydrophobicContact CD1-CB 4.08Å; Q118-N143 PolarHBondContact N-O 3.13Å; N143-R215 PolarHBondContact OD1-NH1 2.83Å; N143-R215 PolarHBondContact OD1-NH2 3.44Å
144W96Very high91.9Very high33 Ų3332.3 Ų32.313%0.12517%0.174CC..EExtended strand (participates in β ladder)trans-124.2127.9176.7-178.296.9000110Q118 V120 T130 V131 N134 K146 A229Q118-W144 HydrophobicContact CB-CB 4.27Å; Q118-W144 HydrophobicContact CB-CG 4.25Å; V120-W144 HydrophobicContact CG1-CH2 4.28Å; V120-W144 HydrophobicContact CG1-CZ2 3.46Å; V120-W144 VanDerWaalsContact CG1-CZ2 3.46Å; T130-W144 PolarHBondContact OG1-NE1 2.91Å; T130-W144 VanDerWaalsContact OG1-NE1 3.13Å; V131-W144 HydrophobicContact CG2-CH2 4.42Å; V131-W144 HydrophobicContact CG2-CZ2 3.94Å; N134-W144 HydrophobicContact CB-CB 4.46Å; N134-W144 HydrophobicContact CB-CG 4.33Å; N134-W144 WeakPolarHBondContact OD1-CB 3.46Å; W144-K146 HydrophobicContact CH2-CB 3.67Å; W144-K146 HydrophobicContact CH2-CD 4Å; W144-K146 HydrophobicContact CH2-CG 4.23Å; W144-K146 HydrophobicContact CZ2-CB 4.37Å; W144-K146 HydrophobicContact CZ3-CB 3.74Å; W144-A229 HydrophobicContact CE3-CB 3.74Å; W144-A229 HydrophobicContact CZ3-CB 3.97Å
145M95.7Very high92Very high8 Ų835.6 Ų35.64%0.03919%0.191CC..EExtended strand (participates in β ladder)trans-130.3124.2-175166.2177.9-88.200110.6Q118 L119 V120 V147 A165 V218 F220Q118-M145 PolarHBondContact O-N 3.14Å; L119-M145 HydrophobicContact CD2-CB 4.03Å; L119-M145 HydrophobicContact CD2-CG 4.04Å; L119-M145 HydrophobicContact CD2-SD 3.77Å; V120-M145 PolarHBondContact N-O 3.33Å; M145-V147 HydrophobicContact CG-CG2 4.29Å; M145-A165 HydrophobicContact CE-CB 4.26Å; M145-A165 HydrophobicContact SD-CB 3.56Å; M145-A165 VanDerWaalsContact SD-CB 3.56Å; M145-V218 HydrophobicContact CE-CB 4.01Å; M145-V218 HydrophobicContact CE-CG1 3.37Å; M145-V218 WeakPolarHBondContact CE-O 3.42Å; M145-V218 HydrophobicContact SD-CG1 4.49Å; M145-F220 HydrophobicContact CE-CD2 3.37Å; M145-F220 HydrophobicContact CE-CE2 3.11Å; M145-F220 HydrophobicContact CE-CG 4.3Å; M145-F220 HydrophobicContact CE-CZ 3.86Å; M145-F220 HydrophobicContact SD-CD2 4.08Å; M145-F220 HydrophobicContact SD-CE2 3.38Å; M145-F220 WeakPolarHBondContact SD-CE2 3Å; M145-F220 HydrophobicContact SD-CZ 4.18Å
146K95.6Very high91.9Very high55 Ų5539 Ų3924%0.23920%0.204CC..EExtended strand (participates in β ladder)trans-97.7106.9173.3-171.2178-166.3165.10109.5V120 W144 S148 E228V120-K146 HydrophobicContact CG1-CB 4.28Å; V120-K146 HydrophobicContact CG1-CG 4.38Å; V120-K146 CarbonylContact O-C 3.3Å; V120-K146 VanDerWaalsContact O-CA 3.28Å; V120-K146 WeakPolarHBondContact O-CA 3.11Å; W144-K146 HydrophobicContact CH2-CB 3.67Å; W144-K146 HydrophobicContact CH2-CD 4Å; W144-K146 HydrophobicContact CH2-CG 4.23Å; W144-K146 HydrophobicContact CZ2-CB 4.37Å; W144-K146 HydrophobicContact CZ3-CB 3.74Å; K146-S148 PolarHBondContact O-N 2.92Å; K146-E228 IonicContact NZ-OE1 3.44Å; K146-E228 PolarHBondContact NZ-OE1 2.85Å; K146-E228 IonicContact NZ-OE2 3Å; K146-E228 PolarHBondContact NZ-OE2 3.13Å
147V94.2Very high91.9Very high0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-76.8115-179-174.90000109.5V120 G121 S122 M145 V154 K158 K161V120-V147 PolarHBondContact O-N 3.29Å; G121-V147 CarbonylContact C-O 3.54Å; S122-V147 WeakPolarHBondContact CB-O 3.48Å; S122-V147 PolarHBondContact N-O 2.84Å; S122-V147 PolarHBondContact OG-O 3.39Å; M145-V147 HydrophobicContact CG-CG2 4.29Å; V147-V154 HydrophobicContact CB-CG1 4.13Å; V147-V154 HydrophobicContact CG2-CG1 4.25Å; V147-K158 HydrophobicContact CG1-CB 3.8Å; V147-K158 HydrophobicContact CG1-CG 3.71Å; V147-K161 HydrophobicContact CG1-CB 4.38Å; V147-K161 HydrophobicContact CG1-CD 3.79Å
148S91.8Very high92Very high31 Ų3140 Ų4022%0.21721%0.21CC..THydrogen-bonded Turntrans-66.3158177.464.10000113.2K146 S150 K161 E223K146-S148 PolarHBondContact O-N 2.92Å; S148-S150 PolarHBondContact O-N 2.99Å; S148-S150 VanDerWaalsContact O-N 3.17Å; S148-K161 PolarHBondContact OG-NZ 2.89Å; S148-E223 WeakPolarHBondContact CB-OE1 3.23Å; S148-E223 PolarHBondContact N-OE1 2.82Å; S148-E223 PolarHBondContact OG-OE1 3.4Å
149D89.2Confident92.3Very high124 Ų12440.6 Ų40.666%0.66322%0.216SC*.THydrogen-bonded Turntrans48.940179.2-53.4-30.5000113.4S122 K158S122-D149 PolarHBondContact OG-N 2.99Å; D149-K158 WeakPolarHBondContact O-CE 3.36Å
150S91.8Very high92.6Very high0 Ų041.4 Ų41.40%022%0.215CC..  trans-140.2145.7179.2-173.40000111.9G121 S122 G123 S148 V154 E157G121-S150 CarbonylContact C-O 3.55Å; S122-S150 PolarHBondContact N-O 3.38Å; S122-S150 VanDerWaalsContact N-O 3.12Å; G123-S150 PolarHBondContact N-O 3.17Å; S148-S150 PolarHBondContact O-N 2.99Å; S148-S150 VanDerWaalsContact O-N 3.17Å; S150-V154 WeakPolarHBondContact OG-CA 3.44Å; S150-V154 WeakPolarHBondContact OG-CG1 3.27Å; S150-E157 WeakPolarHBondContact CA-OE2 3.43Å; S150-E157 VanDerWaalsContact CB-OE2 3.31Å; S150-E157 WeakPolarHBondContact CB-OE2 3.5Å; S150-E157 PolarHBondContact OG-OE2 2.77Å
151S93.6Very high92.8Very high0 Ų039.4 Ų39.40%020%0.199CC..  trans-81.2-156.4171.968.40000112.1H61 Y69 G121 L153 E157H61-S151 WeakPolarHBondContact O-CB 3.17Å; H61-S151 PolarHBondContact O-OG 3.24Å; Y69-S151 VanDerWaalsContact CZ-CB 3.44Å; Y69-S151 WeakPolarHBondContact OH-CA 3.39Å; Y69-S151 WeakPolarHBondContact OH-CB 3.38Å; Y69-S151 PolarHBondContact OH-N 3.39Å; G121-S151 VanDerWaalsContact CA-O 3.25Å; G121-S151 WeakPolarHBondContact CA-O 3.45Å; S151-L153 PolarHBondContact O-N 3.03Å; S151-L153 PolarHBondContact OG-N 3.47Å; S151-L153 VanDerWaalsContact OG-N 3.1Å; S151-E157 WeakPolarHBondContact CB-OE1 3.47Å; S151-E157 PolarHBondContact N-OE2 3.23Å; S151-E157 PolarHBondContact OG-OE1 3.05Å; S151-E157 PolarHBondContact OG-OE2 2.93Å; S151-E157 VanDerWaalsContact OG-OE2 3.14Å
152G92.4Very high93.1Very high10 Ų1035.7 Ų35.710%0.10318%0.183CC..SBendtrans-65.7-14.5166.300000113.2N23 H61 V154N23-G152 PolarHBondContact ND2-O 3.48Å; H61-G152 VanDerWaalsContact O-CA 3.24Å; H61-G152 WeakPolarHBondContact O-CA 3.47Å; H61-G152 PolarHBondContact O-N 2.92Å; G152-V154 VanDerWaalsContact C-N 3.31Å; G152-V154 PolarHBondContact O-N 2.7Å
153L93.1Very high93.3Very high10 Ų1038 Ų385%0.05220%0.197CC..  trans-90.849.2-176.1-62.7176.4000113H61 F62 Y77 S151 L155 E156 E157H61-L153 HydrophobicContact CB-CD1 4.24Å; H61-L153 HydrophobicContact CB-CD2 4.16Å; H61-L153 HydrophobicContact CB-CG 4.1Å; F62-L153 HydrophobicContact CD1-CD1 4.49Å; F62-L153 HydrophobicContact CE1-CD1 3.83Å; F62-L153 HydrophobicContact CE2-CD1 3.91Å; F62-L153 HydrophobicContact CZ-CD1 3.5Å; Y77-L153 HydrophobicContact CD1-CD1 4.33Å; Y77-L153 HydrophobicContact CD2-CD1 4.42Å; Y77-L153 HydrophobicContact CE1-CD1 3.83Å; Y77-L153 HydrophobicContact CE1-CD2 4.32Å; Y77-L153 HydrophobicContact CE2-CD1 3.92Å; S151-L153 PolarHBondContact O-N 3.03Å; S151-L153 PolarHBondContact OG-N 3.47Å; S151-L153 VanDerWaalsContact OG-N 3.1Å; L153-L155 PolarHBondContact O-N 2.98Å; L153-L155 VanDerWaalsContact O-N 3.15Å; L153-E156 VanDerWaalsContact C-OE2 3.3Å; L153-E156 VanDerWaalsContact CA-OE2 3.31Å; L153-E156 WeakPolarHBondContact CA-OE2 3.48Å; L153-E156 HydrophobicContact CB-CB 4.25Å; L153-E156 WeakPolarHBondContact CB-OE2 3.36Å; L153-E156 PolarHBondContact O-N 3.04Å; L153-E156 VanDerWaalsContact O-N 3.08Å; L153-E157 HydrophobicContact CB-CG 4.35Å; L153-E157 WeakPolarHBondContact O-CB 3.37Å; L153-E157 PolarHBondContact O-N 2.85Å
154V92.6Very high93.1Very high0 Ų038.6 Ų38.60%020%0.199CC..Hα-helixtrans-59.4-28-177.3-64.80000113.4V22 G121 V147 S150 G152 K158 V162V22-V154 HydrophobicContact CG1-CG2 3.51Å; G121-V154 VanDerWaalsContact CA-CG1 3.44Å; G121-V154 VanDerWaalsContact N-CG1 3.29Å; V147-V154 HydrophobicContact CB-CG1 4.13Å; V147-V154 HydrophobicContact CG2-CG1 4.25Å; S150-V154 WeakPolarHBondContact OG-CA 3.44Å; S150-V154 WeakPolarHBondContact OG-CG1 3.27Å; G152-V154 VanDerWaalsContact C-N 3.31Å; G152-V154 PolarHBondContact O-N 2.7Å; V154-K158 CarbonylContact O-C 3.58Å; V154-K158 VanDerWaalsContact O-C 3.3Å; V154-K158 WeakPolarHBondContact O-CA 3.28Å; V154-K158 PolarHBondContact O-N 3.04Å; V154-K158 VanDerWaalsContact O-N 3.11Å; V154-V162 HydrophobicContact CB-CG2 4.03Å; V154-V162 HydrophobicContact CG2-CG2 4.13Å; V154-V162 WeakPolarHBondContact O-CG2 3.37Å
155L94Very high92.9Very high91 Ų9137 Ų3748%0.47619%0.193SC..Hα-helixtrans-73.1-32.5179.7-56.8-176.3000111.5V22 L153 P159 V162V22-L155 HydrophobicContact CG2-CD2 4.41Å; L153-L155 PolarHBondContact O-N 2.98Å; L153-L155 VanDerWaalsContact O-N 3.15Å; L155-P159 WeakPolarHBondContact O-CB 3.42Å; L155-V162 HydrophobicContact CD2-CB 4.41Å; L155-V162 HydrophobicContact CD2-CG1 3.69Å; L155-V162 HydrophobicContact CD2-CG2 4.29Å
156E91Very high92.8Very high99 Ų9938.8 Ų38.846%0.46320%0.202SC..Hα-helixtrans-89.7-38.2-178.2-62.579.2-17900112.3L153L153-E156 VanDerWaalsContact C-OE2 3.3Å; L153-E156 VanDerWaalsContact CA-OE2 3.31Å; L153-E156 WeakPolarHBondContact CA-OE2 3.48Å; L153-E156 HydrophobicContact CB-CB 4.25Å; L153-E156 WeakPolarHBondContact CB-OE2 3.36Å; L153-E156 PolarHBondContact O-N 3.04Å; L153-E156 VanDerWaalsContact O-N 3.08Å
157E91.4Very high92.7Very high33 Ų3337.5 Ų37.515%0.15420%0.198CC..Hα-helixtrans-88.8-33.3-174.7-68.1172165.700113.5Y69 L73 S150 S151 L153 P159Y69-E157 WeakPolarHBondContact CD1-OE1 3.49Å; L73-E157 HydrophobicContact CD2-CG 3.95Å; S150-E157 WeakPolarHBondContact CA-OE2 3.43Å; S150-E157 VanDerWaalsContact CB-OE2 3.31Å; S150-E157 WeakPolarHBondContact CB-OE2 3.5Å; S150-E157 PolarHBondContact OG-OE2 2.77Å; S151-E157 WeakPolarHBondContact CB-OE1 3.47Å; S151-E157 PolarHBondContact N-OE2 3.23Å; S151-E157 PolarHBondContact OG-OE1 3.05Å; S151-E157 PolarHBondContact OG-OE2 2.93Å; S151-E157 VanDerWaalsContact OG-OE2 3.14Å; L153-E157 HydrophobicContact CB-CG 4.35Å; L153-E157 WeakPolarHBondContact O-CB 3.37Å; L153-E157 PolarHBondContact O-N 2.85Å; E157-P159 VanDerWaalsContact C-CD 3.43Å
158K93.1Very high92.5Very high46 Ų4639.5 Ų39.520%0.221%0.208CC..  trans-13448.2-175.6-56.1-66.5178.2-170.40112.5V147 D149 V154 E160 K161 V162V147-K158 HydrophobicContact CG1-CB 3.8Å; V147-K158 HydrophobicContact CG1-CG 3.71Å; D149-K158 WeakPolarHBondContact O-CE 3.36Å; V154-K158 CarbonylContact O-C 3.58Å; V154-K158 VanDerWaalsContact O-C 3.3Å; V154-K158 WeakPolarHBondContact O-CA 3.28Å; V154-K158 PolarHBondContact O-N 3.04Å; V154-K158 VanDerWaalsContact O-N 3.11Å; K158-E160 PolarHBondContact O-N 2.76Å; K158-E160 VanDerWaalsContact O-N 3.13Å; K158-K161 HydrophobicContact CB-CB 4.16Å; K158-K161 HydrophobicContact CB-CD 4.38Å; K158-K161 HydrophobicContact CB-CG 4.42Å; K158-K161 HydrophobicContact CD-CD 4.38Å; K158-K161 HydrophobicContact CG-CD 4.49Å; K158-K161 PolarHBondContact O-N 3.05Å; K158-K161 VanDerWaalsContact O-N 3.1Å; K158-V162 PolarHBondContact O-N 2.82Å
159P94.9Very high92.6Very high60 Ų6038.3 Ų38.339%0.3920%0.199SC..Hα-helixtrans-56.6-32.1-178.924.4-34.4000112.5L155 E157 T163L155-P159 WeakPolarHBondContact O-CB 3.42Å; E157-P159 VanDerWaalsContact C-CD 3.43Å; P159-T163 WeakPolarHBondContact O-CB 3.45Å; P159-T163 PolarHBondContact O-N 2.79Å; P159-T163 PolarHBondContact O-OG1 2.85Å
160E94Very high92.7Very high80 Ų8034.3 Ų34.337%0.37418%0.177SC..Hα-helixtrans-62.9-49176.169.7-66.7162.200112.4K158 T163 E164K158-E160 PolarHBondContact O-N 2.76Å; K158-E160 VanDerWaalsContact O-N 3.13Å; E160-T163 PolarHBondContact O-N 3.11Å; E160-E164 VanDerWaalsContact O-CB 3.3Å; E160-E164 WeakPolarHBondContact O-CB 3.26Å; E160-E164 PolarHBondContact O-N 2.89Å
161K93Very high92.5Very high40 Ų4037.6 Ų37.617%0.17419%0.193CC..Hα-helixtrans-66.5-42.7178.3-68.3-172.1173.6-173.80111V147 S148 K158 E164 A165 F220 E223V147-K161 HydrophobicContact CG1-CB 4.38Å; V147-K161 HydrophobicContact CG1-CD 3.79Å; S148-K161 PolarHBondContact OG-NZ 2.89Å; K158-K161 HydrophobicContact CB-CB 4.16Å; K158-K161 HydrophobicContact CB-CD 4.38Å; K158-K161 HydrophobicContact CB-CG 4.42Å; K158-K161 HydrophobicContact CD-CD 4.38Å; K158-K161 HydrophobicContact CG-CD 4.49Å; K158-K161 PolarHBondContact O-N 3.05Å; K158-K161 VanDerWaalsContact O-N 3.1Å; K161-E164 PolarHBondContact O-N 2.94Å; K161-A165 WeakPolarHBondContact O-CB 3.38Å; K161-A165 PolarHBondContact O-N 3.22Å; K161-F220 HydrophobicContact CB-CE2 3.91Å; K161-F220 HydrophobicContact CB-CZ 3.69Å; K161-F220 HydrophobicContact CD-CE2 4.23Å; K161-F220 HydrophobicContact CG-CE1 4.44Å; K161-F220 HydrophobicContact CG-CE2 4.21Å; K161-F220 HydrophobicContact CG-CZ 4.02Å; K161-F220 WeakPolarHBondContact O-CZ 3.24Å; K161-E223 IonicContact NZ-OE1 2.88Å; K161-E223 PolarHBondContact NZ-OE1 3.25Å
162V94.1Very high92.2Very high5 Ų540.3 Ų40.33%0.0322%0.221CC..Hα-helixtrans-63.2-46.5177.8172.10000111.2L119 V154 L155 K158 E164 A165 I166L119-V162 HydrophobicContact CD1-CG1 3.76Å; L119-V162 HydrophobicContact CD1-CG2 4.4Å; V154-V162 HydrophobicContact CB-CG2 4.03Å; V154-V162 HydrophobicContact CG2-CG2 4.13Å; V154-V162 WeakPolarHBondContact O-CG2 3.37Å; L155-V162 HydrophobicContact CD2-CB 4.41Å; L155-V162 HydrophobicContact CD2-CG1 3.69Å; L155-V162 HydrophobicContact CD2-CG2 4.29Å; K158-V162 PolarHBondContact O-N 2.82Å; V162-E164 VanDerWaalsContact C-N 3.33Å; V162-E164 PolarHBondContact O-N 3.26Å; V162-A165 PolarHBondContact O-N 2.7Å; V162-I166 HydrophobicContact CG1-CD1 3.71Å; V162-I166 HydrophobicContact CG1-CG1 4.38Å; V162-I166 VanDerWaalsContact O-CG1 3.27Å; V162-I166 WeakPolarHBondContact O-CG1 3.14Å; V162-I166 PolarHBondContact O-N 2.8Å
163T93.8Very high92.1Very high53 Ų5343.9 Ų43.933%0.32524%0.235SC..Hα-helixtrans-59.9-47.1178.6-60.30000110.5P159 E160 A165 I166 L167 W184P159-T163 WeakPolarHBondContact O-CB 3.45Å; P159-T163 PolarHBondContact O-N 2.79Å; P159-T163 PolarHBondContact O-OG1 2.85Å; E160-T163 PolarHBondContact O-N 3.11Å; T163-A165 PolarHBondContact O-N 3.47Å; T163-I166 PolarHBondContact O-N 3.24Å; T163-L167 HydrophobicContact CG2-CD1 3.91Å; T163-L167 HydrophobicContact CG2-CG 4.28Å; T163-L167 VanDerWaalsContact O-CG 3.27Å; T163-L167 WeakPolarHBondContact O-CG 3.49Å; T163-L167 PolarHBondContact O-N 3.02Å; T163-W184 HydrophobicContact CG2-CH2 4.02Å; T163-W184 HydrophobicContact CG2-CZ2 4.12Å
164E90.1Very high91.9Very high32 Ų3245.8 Ų45.815%0.1526%0.257CS..Hα-helixtrans-59.2-46.4177.4173.5165.4-167.300112.4E160 K161 V162 I166 L167 L168 Y181 F220E160-E164 VanDerWaalsContact O-CB 3.3Å; E160-E164 WeakPolarHBondContact O-CB 3.26Å; E160-E164 PolarHBondContact O-N 2.89Å; K161-E164 PolarHBondContact O-N 2.94Å; V162-E164 VanDerWaalsContact C-N 3.33Å; V162-E164 PolarHBondContact O-N 3.26Å; E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 2.76Å; E164-L167 PolarHBondContact O-N 2.48Å; E164-L168 HydrophobicContact CG-CD1 3.95Å; E164-L168 WeakPolarHBondContact O-CB 3.2Å; E164-L168 WeakPolarHBondContact O-CG 3.05Å; E164-L168 PolarHBondContact O-N 2.96Å; E164-Y181 HydrophobicContact CG-CE2 3.92Å; E164-Y181 PolarHBondContact OE1-OH 2.69Å; E164-F220 HydrophobicContact CG-CE1 4Å; E164-F220 HydrophobicContact CG-CZ 4.41Å
165A92.5Very high91.5Very high0 Ų049.4 Ų49.40%027%0.273CS..Hα-helixtrans-60-41.6176.900000112.2L117 L119 M145 K161 V162 T163 F169 V218L117-A165 HydrophobicContact CD2-CB 4.35Å; L119-A165 HydrophobicContact CD2-CB 4.06Å; M145-A165 HydrophobicContact CE-CB 4.26Å; M145-A165 HydrophobicContact SD-CB 3.56Å; M145-A165 VanDerWaalsContact SD-CB 3.56Å; K161-A165 WeakPolarHBondContact O-CB 3.38Å; K161-A165 PolarHBondContact O-N 3.22Å; V162-A165 PolarHBondContact O-N 2.7Å; T163-A165 PolarHBondContact O-N 3.47Å; A165-F169 WeakPolarHBondContact O-CB 3.18Å; A165-F169 PolarHBondContact O-N 3.28Å; A165-V218 HydrophobicContact CB-CG1 4.19Å
166I93.4Very high91Very high45 Ų4547.5 Ų47.523%0.23126%0.263CS..Hα-helixtrans-66-44.6177.1-68.2170.4000111.1I20 L117 V162 T163 E164 F169 L170I20-I166 HydrophobicContact CD1-CB 4.45Å; I20-I166 HydrophobicContact CD1-CD1 4.21Å; I20-I166 HydrophobicContact CD1-CG1 3.94Å; I20-I166 HydrophobicContact CD1-CG2 3.8Å; I20-I166 HydrophobicContact CG2-CD1 4.36Å; I20-I166 HydrophobicContact CG2-CG1 4.3Å; L117-I166 HydrophobicContact CD2-CG1 4.03Å; V162-I166 HydrophobicContact CG1-CD1 3.71Å; V162-I166 HydrophobicContact CG1-CG1 4.38Å; V162-I166 VanDerWaalsContact O-CG1 3.27Å; V162-I166 WeakPolarHBondContact O-CG1 3.14Å; V162-I166 PolarHBondContact O-N 2.8Å; T163-I166 PolarHBondContact O-N 3.24Å; E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 2.76Å; I166-F169 PolarHBondContact O-N 2.94Å; I166-L170 HydrophobicContact CG2-CD1 3.82Å; I166-L170 HydrophobicContact CG2-CG 4.31Å; I166-L170 WeakPolarHBondContact O-CB 3.39Å; I166-L170 VanDerWaalsContact O-CG 3.32Å; I166-L170 WeakPolarHBondContact O-CG 3.27Å; I166-L170 PolarHBondContact O-N 3.32Å
167L92.4Very high90.3Very high28 Ų2847.9 Ų47.915%0.14727%0.274CS..Hα-helixtrans-63.1-45.4179.5-69.6173.1000111.3T163 E164 Q171 L176 L179 W184T163-L167 HydrophobicContact CG2-CD1 3.91Å; T163-L167 HydrophobicContact CG2-CG 4.28Å; T163-L167 VanDerWaalsContact O-CG 3.27Å; T163-L167 WeakPolarHBondContact O-CG 3.49Å; T163-L167 PolarHBondContact O-N 3.02Å; E164-L167 PolarHBondContact O-N 2.48Å; L167-Q171 WeakPolarHBondContact O-CB 3.3Å; L167-Q171 PolarHBondContact O-N 3.49Å; L167-L176 HydrophobicContact CD2-CD1 3.73Å; L167-L179 HydrophobicContact CB-CD2 3.98Å; L167-L179 HydrophobicContact CD1-CD2 4.24Å; L167-L179 HydrophobicContact CD2-CD2 3.82Å; L167-L179 HydrophobicContact CG-CD2 4.22Å; L167-W184 HydrophobicContact CD1-CD2 4.02Å; L167-W184 HydrophobicContact CD1-CE3 3.98Å; L167-W184 HydrophobicContact CD1-CH2 3.7Å; L167-W184 HydrophobicContact CD1-CZ2 3.73Å; L167-W184 HydrophobicContact CD1-CZ3 3.83Å
168L91Very high89.5Confident43 Ų4351.7 Ų51.723%0.22531%0.305CS..Hα-helixtrans-65.1-41.6177.7-70.7172000111.9E164 Q171 G172 Y181 V218E164-L168 HydrophobicContact CG-CD1 3.95Å; E164-L168 WeakPolarHBondContact O-CB 3.2Å; E164-L168 WeakPolarHBondContact O-CG 3.05Å; E164-L168 PolarHBondContact O-N 2.96Å; L168-Q171 PolarHBondContact O-N 3.46Å; L168-G172 PolarHBondContact O-N 2.98Å; L168-Y181 HydrophobicContact CD1-CE2 4.47Å; L168-Y181 HydrophobicContact CD2-CD1 4.21Å; L168-Y181 HydrophobicContact CD2-CD2 3.9Å; L168-Y181 HydrophobicContact CD2-CE1 4.42Å; L168-Y181 HydrophobicContact CD2-CE2 4.11Å; L168-Y181 HydrophobicContact CD2-CG 3.97Å; L168-Y181 HydrophobicContact CG-CD2 4.3Å; L168-Y181 HydrophobicContact CG-CE2 4.23Å; L168-V218 HydrophobicContact CB-CG1 4.45Å; L168-V218 HydrophobicContact CB-CG2 4.22Å; L168-V218 HydrophobicContact CD1-CG1 4.03Å
169F92.6Very high88.5Confident5 Ų551.4 Ų51.42%0.02231%0.305CS..Hα-helixtrans-60.1-53.4175170.9-118.1000111.6A18 I20 P115 L117 A165 I166 Q171 G172 E173A18-F169 HydrophobicContact CB-CE1 3.78Å; A18-F169 HydrophobicContact CB-CZ 3.92Å; I20-F169 HydrophobicContact CG1-CD1 4.24Å; I20-F169 HydrophobicContact CG1-CE1 4.1Å; P115-F169 HydrophobicContact CB-CE2 3.82Å; P115-F169 HydrophobicContact CB-CZ 3.8Å; L117-F169 HydrophobicContact CB-CB 4.42Å; L117-F169 HydrophobicContact CB-CD1 3.68Å; L117-F169 HydrophobicContact CB-CD2 4.01Å; L117-F169 HydrophobicContact CB-CE1 3.8Å; L117-F169 HydrophobicContact CB-CE2 4.13Å; L117-F169 HydrophobicContact CB-CG 3.77Å; L117-F169 HydrophobicContact CB-CZ 4.02Å; L117-F169 HydrophobicContact CD2-CB 3.9Å; L117-F169 HydrophobicContact CD2-CD1 4.09Å; L117-F169 HydrophobicContact CD2-CG 4.1Å; L117-F169 HydrophobicContact CG-CD1 4.49Å; L117-F169 HydrophobicContact CG-CG 4.4Å; A165-F169 WeakPolarHBondContact O-CB 3.18Å; A165-F169 PolarHBondContact O-N 3.28Å; I166-F169 PolarHBondContact O-N 2.94Å; F169-Q171 VanDerWaalsContact C-N 3.29Å; F169-Q171 PolarHBondContact O-N 2.92Å; F169-G172 PolarHBondContact O-N 3.45Å; F169-G172 VanDerWaalsContact O-N 3.15Å; F169-E173 HydrophobicContact CD2-CG 4.35Å; F169-E173 HydrophobicContact CE2-CG 4.04Å; F169-E173 HydrophobicContact CZ-CG 4.4Å; F169-E173 WeakPolarHBondContact O-CG 3.37Å; F169-E173 PolarHBondContact O-N 3.02Å
170L91.8Very high87.5Confident40 Ų4051.2 Ų51.221%0.20931%0.306CS..Hα-helixtrans-65.2-32.5179.5-68.4176.9000112.8A18 I166 G174 H175 L176A18-L170 HydrophobicContact CB-CD2 4.4Å; I166-L170 HydrophobicContact CG2-CD1 3.82Å; I166-L170 HydrophobicContact CG2-CG 4.31Å; I166-L170 WeakPolarHBondContact O-CB 3.39Å; I166-L170 VanDerWaalsContact O-CG 3.32Å; I166-L170 WeakPolarHBondContact O-CG 3.27Å; I166-L170 PolarHBondContact O-N 3.32Å; L170-G174 PolarHBondContact O-N 3.13Å; L170-H175 HydrophobicContact CB-CB 4.31Å; L170-H175 HydrophobicContact CD2-CB 4.49Å; L170-H175 WeakPolarHBondContact O-CB 3.42Å; L170-H175 PolarHBondContact O-N 2.66Å; L170-L176 HydrophobicContact CB-CD1 3.74Å; L170-L176 HydrophobicContact CB-CG 4.02Å; L170-L176 HydrophobicContact CD1-CD1 4.15Å
171Q87.9Confident86.3Confident69 Ų6948.4 Ų48.432%0.32229%0.292SS..Hα-helixtrans-67.3-42.4173-175.1179.64.200111.3L167 L168 F169 E173 G174 L176 L179L167-Q171 WeakPolarHBondContact O-CB 3.3Å; L167-Q171 PolarHBondContact O-N 3.49Å; L168-Q171 PolarHBondContact O-N 3.46Å; F169-Q171 VanDerWaalsContact C-N 3.29Å; F169-Q171 PolarHBondContact O-N 2.92Å; Q171-E173 VanDerWaalsContact C-N 3.29Å; Q171-E173 PolarHBondContact O-N 3.1Å; Q171-G174 PolarHBondContact O-N 3.43Å; Q171-L176 HydrophobicContact CB-CB 4.46Å; Q171-L179 PolarHBondContact NE2-O 2.98Å
172G87.4Confident85Confident57 Ų5752.8 Ų52.859%0.58832%0.316SS*.Hα-helixtrans-61.2-35.6175.900000113.1L168 F169 G174L168-G172 PolarHBondContact O-N 2.98Å; F169-G172 PolarHBondContact O-N 3.45Å; F169-G172 VanDerWaalsContact O-N 3.15Å; G172-G174 VanDerWaalsContact C-N 3.27Å; G172-G174 PolarHBondContact O-N 2.87Å
173E89.6Confident83.9Confident86 Ų8659.6 Ų59.640%0.40235%0.345SS..THydrogen-bonded Turntrans-81.1-1.9174-60.9-51.9142.600113.7P115 F169 Q171P115-E173 HydrophobicContact CB-CG 3.94Å; P115-E173 HydrophobicContact CG-CG 3.99Å; P115-E173 WeakPolarHBondContact CG-OE2 3.47Å; F169-E173 HydrophobicContact CD2-CG 4.35Å; F169-E173 HydrophobicContact CE2-CG 4.04Å; F169-E173 HydrophobicContact CZ-CG 4.4Å; F169-E173 WeakPolarHBondContact O-CG 3.37Å; F169-E173 PolarHBondContact O-N 3.02Å; Q171-E173 VanDerWaalsContact C-N 3.29Å; Q171-E173 PolarHBondContact O-N 3.1Å
174G88.7Confident82.9Confident49 Ų4960.5 Ų60.551%0.50534%0.343SS..THydrogen-bonded Turntrans82.29.9176.500000115.7L170 Q171 G172L170-G174 PolarHBondContact O-N 3.13Å; Q171-G174 PolarHBondContact O-N 3.43Å; G172-G174 VanDerWaalsContact C-N 3.27Å; G172-G174 PolarHBondContact O-N 2.87Å
175H85.3Confident81.8Confident76 Ų7661.6 Ų61.635%0.35235%0.346SS..SBendtrans-77.2-23.4177.2-66.8-68.1000113.6E17 L170 P177E17-H175 IonicContact OE2-CE1 2.75Å; E17-H175 PolarHBondContact OE2-CE1 3.42Å; E17-H175 IonicContact OE2-ND1 3.14Å; E17-H175 PolarHBondContact OE2-ND1 2.92Å; E17-H175 IonicContact OE2-NE2 2.93Å; L170-H175 HydrophobicContact CB-CB 4.31Å; L170-H175 HydrophobicContact CD2-CB 4.49Å; L170-H175 WeakPolarHBondContact O-CB 3.42Å; L170-H175 PolarHBondContact O-N 2.66Å; H175-P177 WeakPolarHBondContact O-CD 3.32Å
176L84Confident80.5Confident51 Ų5167.2 Ų67.227%0.26737%0.372SS..  trans-12357.7-178.7-62.5177.1000112.5L167 L170 Q171 S178 L179L167-L176 HydrophobicContact CD2-CD1 3.73Å; L170-L176 HydrophobicContact CB-CD1 3.74Å; L170-L176 HydrophobicContact CB-CG 4.02Å; L170-L176 HydrophobicContact CD1-CD1 4.15Å; Q171-L176 HydrophobicContact CB-CB 4.46Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.27Å; L176-L179 HydrophobicContact CB-CB 4.03Å; L176-L179 HydrophobicContact CD1-CD2 4.31Å; L176-L179 PolarHBondContact O-N 2.9Å
177P74.8Confident79.3Confident107 Ų10769 Ų6970%0.69539%0.388SS*.THydrogen-bonded Turntrans-68-29.3-172.928.7-35.4000113.1H175H175-P177 WeakPolarHBondContact O-CD 3.32Å
178S75.3Confident77.7Confident114 Ų11472.5 Ų72.580%0.79740%0.4SS*.THydrogen-bonded Turntrans-85.9-9.8-179.659.50000113.5L176 S180L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.27Å; S178-S180 PolarHBondContact O-N 3Å
179L72Confident76Confident40 Ų4072.7 Ų72.721%0.20940%0.404CS..  trans-72.797.6175.6-170.481.7000108L167 Q171 L176 Y181 W184L167-L179 HydrophobicContact CB-CD2 3.98Å; L167-L179 HydrophobicContact CD1-CD2 4.24Å; L167-L179 HydrophobicContact CD2-CD2 3.82Å; L167-L179 HydrophobicContact CG-CD2 4.22Å; Q171-L179 PolarHBondContact NE2-O 2.98Å; L176-L179 HydrophobicContact CB-CB 4.03Å; L176-L179 HydrophobicContact CD1-CD2 4.31Å; L176-L179 PolarHBondContact O-N 2.9Å; L179-Y181 PolarHBondContact O-N 3.38Å; L179-W184 HydrophobicContact CD1-CB 4.34Å; L179-W184 HydrophobicContact CD1-CG 4.45Å
180S73.8Confident74Confident56 Ų5677.4 Ų77.439%0.39243%0.43SS..  trans-69.586.4162.454.40000107.7S178 L182 K183 W184S178-S180 PolarHBondContact O-N 3Å; S180-L182 PolarHBondContact O-N 2.46Å; S180-L182 VanDerWaalsContact O-N 3.13Å; S180-K183 WeakPolarHBondContact O-CA 3.27Å; S180-K183 PolarHBondContact O-N 3.26Å; S180-K183 VanDerWaalsContact OG-CB 3.23Å; S180-K183 WeakPolarHBondContact OG-CB 3.09Å; S180-K183 VanDerWaalsContact OG-CD 3.32Å; S180-K183 WeakPolarHBondContact OG-CD 3.17Å; S180-K183 VanDerWaalsContact OG-CG 3.3Å; S180-K183 WeakPolarHBondContact OG-CG 3.47Å; S180-W184 PolarHBondContact O-N 3.44Å
181Y68.6Low71.9Confident21 Ų2179.4 Ų79.48%0.08245%0.447CS..Hα-helixtrans-48.8-40.3179.3163.7-91.3000111.3E164 L168 L179 K183 W184 R185E164-Y181 HydrophobicContact CG-CE2 3.92Å; E164-Y181 PolarHBondContact OE1-OH 2.69Å; L168-Y181 HydrophobicContact CD1-CE2 4.47Å; L168-Y181 HydrophobicContact CD2-CD1 4.21Å; L168-Y181 HydrophobicContact CD2-CD2 3.9Å; L168-Y181 HydrophobicContact CD2-CE1 4.42Å; L168-Y181 HydrophobicContact CD2-CE2 4.11Å; L168-Y181 HydrophobicContact CD2-CG 3.97Å; L168-Y181 HydrophobicContact CG-CD2 4.3Å; L168-Y181 HydrophobicContact CG-CE2 4.23Å; L179-Y181 PolarHBondContact O-N 3.38Å; Y181-K183 PolarHBondContact O-N 3.35Å; Y181-W184 HydrophobicContact CD2-CE3 4.45Å; Y181-W184 PolarHBondContact O-N 2.88Å; Y181-R185 VanDerWaalsContact O-CB 3.27Å; Y181-R185 WeakPolarHBondContact O-CB 3.18Å; Y181-R185 PolarHBondContact O-N 3.19Å; Y181-R185 WeakPolarHBondContact OH-CD 3.13Å; Y181-R185 PolarHBondContact OH-NH1 2.88Å
182L67Low69.6Low132 Ų13280.5 Ų80.569%0.69145%0.454SS*.Hα-helixtrans-58.8-43.6173.9-67.8175.4000113.2S180 Q186S180-L182 PolarHBondContact O-N 2.46Å; S180-L182 VanDerWaalsContact O-N 3.13Å; L182-Q186 WeakPolarHBondContact O-CB 3.05Å; L182-Q186 PolarHBondContact O-N 3.36Å
183K70.8Confident67Low148 Ų14882.3 Ų82.364%0.64346%0.457SS*.Hα-helixtrans-72.5-36.2176.1-57-174-179.4174.50112.2S180 Y181 Q186 S187S180-K183 WeakPolarHBondContact O-CA 3.27Å; S180-K183 PolarHBondContact O-N 3.26Å; S180-K183 VanDerWaalsContact OG-CB 3.23Å; S180-K183 WeakPolarHBondContact OG-CB 3.09Å; S180-K183 VanDerWaalsContact OG-CD 3.32Å; S180-K183 WeakPolarHBondContact OG-CD 3.17Å; S180-K183 VanDerWaalsContact OG-CG 3.3Å; S180-K183 WeakPolarHBondContact OG-CG 3.47Å; Y181-K183 PolarHBondContact O-N 3.35Å; K183-Q186 PolarHBondContact O-N 3.44Å; K183-S187 VanDerWaalsContact O-CB 3.3Å; K183-S187 WeakPolarHBondContact O-CB 3.37Å; K183-S187 PolarHBondContact O-N 3.39Å
184W73.1Confident64.7Low72 Ų7286.9 Ų86.927%0.27348%0.478SS..Hα-helixtrans-62.5-46.4175.5178.184.2000110.6T163 L167 L179 S180 Y181 S187 R188T163-W184 HydrophobicContact CG2-CH2 4.02Å; T163-W184 HydrophobicContact CG2-CZ2 4.12Å; L167-W184 HydrophobicContact CD1-CD2 4.02Å; L167-W184 HydrophobicContact CD1-CE3 3.98Å; L167-W184 HydrophobicContact CD1-CH2 3.7Å; L167-W184 HydrophobicContact CD1-CZ2 3.73Å; L167-W184 HydrophobicContact CD1-CZ3 3.83Å; L179-W184 HydrophobicContact CD1-CB 4.34Å; L179-W184 HydrophobicContact CD1-CG 4.45Å; S180-W184 PolarHBondContact O-N 3.44Å; Y181-W184 HydrophobicContact CD2-CE3 4.45Å; Y181-W184 PolarHBondContact O-N 2.88Å; W184-S187 PolarHBondContact O-N 2.94Å; W184-R188 PolarHBondContact O-N 3.04Å
185R65.6Low61.9Low55 Ų5589.6 Ų89.621%0.20849%0.485CS..Hα-helixtrans-62.5-46.2173.7-179.9175.5169.2171-3.2111.4Y181 S187 R188 S189 L200Y181-R185 VanDerWaalsContact O-CB 3.27Å; Y181-R185 WeakPolarHBondContact O-CB 3.18Å; Y181-R185 PolarHBondContact O-N 3.19Å; Y181-R185 WeakPolarHBondContact OH-CD 3.13Å; Y181-R185 PolarHBondContact OH-NH1 2.88Å; R185-S187 PolarHBondContact O-N 3.43Å; R185-R188 CarbonylContact O-C 3.46Å; R185-R188 WeakPolarHBondContact O-CA 3.49Å; R185-R188 WeakPolarHBondContact O-CB 3.26Å; R185-R188 PolarHBondContact O-N 3.46Å; R185-R188 VanDerWaalsContact O-N 3.11Å; R185-S189 PolarHBondContact O-N 3.24Å; R185-S189 PolarHBondContact O-OG 3.15Å; R185-L200 VanDerWaalsContact NH2-N 3.14Å
186Q64.7Low59.3Low117 Ų11797.4 Ų97.455%0.54751%0.512SS..Hα-helixtrans-64.5-39.3179.3-169.4168.813.600111.8L182 K183 R188 S189 D190L182-Q186 WeakPolarHBondContact O-CB 3.05Å; L182-Q186 PolarHBondContact O-N 3.36Å; K183-Q186 PolarHBondContact O-N 3.44Å; Q186-R188 VanDerWaalsContact C-N 3.27Å; Q186-R188 PolarHBondContact O-N 3.25Å; Q186-S189 CarbonylContact O-C 3.5Å; Q186-S189 PolarHBondContact O-N 2.95Å; Q186-D190 WeakPolarHBondContact O-CB 3.36Å; Q186-D190 VanDerWaalsContact O-CG 3.24Å; Q186-D190 PolarHBondContact O-N 2.72Å
187S70.1Confident56.9Low83 Ų83100.4 Ų100.458%0.5854%0.537SS*.Hα-helixtrans-61-36.7172.3178.40000111.9K183 W184 R185 S191K183-S187 VanDerWaalsContact O-CB 3.3Å; K183-S187 WeakPolarHBondContact O-CB 3.37Å; K183-S187 PolarHBondContact O-N 3.39Å; W184-S187 PolarHBondContact O-N 2.94Å; R185-S187 PolarHBondContact O-N 3.43Å; S187-S191 WeakPolarHBondContact O-CB 3.49Å; S187-S191 PolarHBondContact O-N 2.87Å; S187-S191 PolarHBondContact O-OG 2.89Å
188R58.6Low55Low102 Ų102102.7 Ų102.739%0.38554%0.543SS..Hα-helixtrans-69.8-46171-85.5-166.6165-152-1.9112.5W184 R185 Q186 D190 S191 I192W184-R188 PolarHBondContact O-N 3.04Å; R185-R188 CarbonylContact O-C 3.46Å; R185-R188 WeakPolarHBondContact O-CA 3.49Å; R185-R188 WeakPolarHBondContact O-CB 3.26Å; R185-R188 PolarHBondContact O-N 3.46Å; R185-R188 VanDerWaalsContact O-N 3.11Å; Q186-R188 VanDerWaalsContact C-N 3.27Å; Q186-R188 PolarHBondContact O-N 3.25Å; R188-D190 VanDerWaalsContact C-N 3.29Å; R188-D190 PolarHBondContact O-N 3.04Å; R188-S191 WeakPolarHBondContact CA-OG 3.34Å; R188-S191 CarbonylContact O-C 3.54Å; R188-S191 PolarHBondContact O-N 3.2Å; R188-S191 VanDerWaalsContact O-N 3.14Å; R188-S191 PolarHBondContact O-OG 3.3Å; R188-I192 WeakPolarHBondContact O-CB 3.42Å; R188-I192 WeakPolarHBondContact O-CG1 3.27Å; R188-I192 PolarHBondContact O-N 3.19Å
189S55.1Low52.8Low46 Ų46102.4 Ų102.432%0.32254%0.541SS..Hα-helixtrans-57.9-42.8174.3-67.70000109.7R185 Q186 S191 I192 C193R185-S189 PolarHBondContact O-N 3.24Å; R185-S189 PolarHBondContact O-OG 3.15Å; Q186-S189 CarbonylContact O-C 3.5Å; Q186-S189 PolarHBondContact O-N 2.95Å; S189-S191 VanDerWaalsContact C-N 3.34Å; S189-S191 PolarHBondContact O-N 3.38Å; S189-I192 CarbonylContact O-C 3.48Å; S189-I192 VanDerWaalsContact O-C 3.28Å; S189-I192 PolarHBondContact O-N 3.29Å; S189-I192 VanDerWaalsContact O-N 3.08Å; S189-C193 VanDerWaalsContact C-SG 3.59Å; S189-C193 VanDerWaalsContact O-CA 3.24Å; S189-C193 WeakPolarHBondContact O-CA 3.4Å; S189-C193 WeakPolarHBondContact O-CB 3.46Å; S189-C193 PolarHBondContact O-N 3Å; S189-C193 PolarHBondContact O-SG 2.64Å
190D49.1Very low51Low105 Ų105103.3 Ų103.356%0.56155%0.546SS*.Hα-helixtrans-66.9-34.7176.7-66.6-22.7000112.2Q186 R188 I192Q186-D190 WeakPolarHBondContact O-CB 3.36Å; Q186-D190 VanDerWaalsContact O-CG 3.24Å; Q186-D190 PolarHBondContact O-N 2.72Å; R188-D190 VanDerWaalsContact C-N 3.29Å; R188-D190 PolarHBondContact O-N 3.04Å; D190-I192 VanDerWaalsContact C-N 3.35Å
191S47.7Very low48.8Very low81 Ų81104.6 Ų104.657%0.56655%0.554SS**Hα-helixtrans-71.6-26.917172.60000113.8S187 R188 S189S187-S191 WeakPolarHBondContact O-CB 3.49Å; S187-S191 PolarHBondContact O-N 2.87Å; S187-S191 PolarHBondContact O-OG 2.89Å; R188-S191 WeakPolarHBondContact CA-OG 3.34Å; R188-S191 CarbonylContact O-C 3.54Å; R188-S191 PolarHBondContact O-N 3.2Å; R188-S191 VanDerWaalsContact O-N 3.14Å; R188-S191 PolarHBondContact O-OG 3.3Å; S189-S191 VanDerWaalsContact C-N 3.34Å; S189-S191 PolarHBondContact O-N 3.38Å
192I41Very low47.1Very low92 Ų92108.8 Ų108.847%0.47258%0.582SS.*Hα-helixtrans-101-11-178.7-74.7171.3000111.7R188 S189 D190 Q194 T195R188-I192 WeakPolarHBondContact O-CB 3.42Å; R188-I192 WeakPolarHBondContact O-CG1 3.27Å; R188-I192 PolarHBondContact O-N 3.19Å; S189-I192 CarbonylContact O-C 3.48Å; S189-I192 VanDerWaalsContact O-C 3.28Å; S189-I192 PolarHBondContact O-N 3.29Å; S189-I192 VanDerWaalsContact O-N 3.08Å; D190-I192 VanDerWaalsContact C-N 3.35Å; I192-Q194 CarbonylContact O-C 3.59Å; I192-Q194 PolarHBondContact O-N 3.49Å; I192-T195 CarbonylContact O-C 3.28Å; I192-T195 VanDerWaalsContact O-C 3.27Å; I192-T195 WeakPolarHBondContact O-CA 3.43Å; I192-T195 PolarHBondContact O-N 3.11Å
193C31.6Very low45.1Very low96 Ų96110.1 Ų110.165%0.64958%0.584SS**THydrogen-bonded Turntrans-73.71.1-176.3-90.20000111S189S189-C193 VanDerWaalsContact C-SG 3.59Å; S189-C193 VanDerWaalsContact O-CA 3.24Å; S189-C193 WeakPolarHBondContact O-CA 3.4Å; S189-C193 WeakPolarHBondContact O-CB 3.46Å; S189-C193 PolarHBondContact O-N 3Å; S189-C193 PolarHBondContact O-SG 2.64Å
194Q41.2Very low42.9Very low182 Ų182108.7 Ų108.785%0.8559%0.59SS**THydrogen-bonded Turntrans-75.4-5.2155.9-65.3-173.9-10.800113.2I192I192-Q194 CarbonylContact O-C 3.59Å; I192-Q194 PolarHBondContact O-N 3.49Å
195T31Very low40.8Very low106 Ų106111.6 Ų111.665%0.6561%0.605SS**SBendtrans-159.989.3-179.4-45.10000113.6I192I192-T195 CarbonylContact O-C 3.28Å; I192-T195 VanDerWaalsContact O-C 3.27Å; I192-T195 WeakPolarHBondContact O-CA 3.43Å; I192-T195 PolarHBondContact O-N 3.11Å
196R30.1Very low38.8Very low240 Ų240118.5 Ų118.591%0.90664%0.639SS**  trans65.7135.1153-70.2-173.6174.9-171-1.3122.3
197S34.1Very low37.1Very low114 Ų114116.5 Ų116.580%0.79764%0.635SS**  trans-68.6141.4-178.2-56.10000116.1
198N34.1Very low35Very low155 Ų155121.2 Ų121.283%0.82965%0.648SS**  trans-158.7119.3137.4-88.1-17.6000108.4
199S30.8Very low33.5Very low108 Ų108121.5 Ų121.576%0.75567%0.666SS**  trans-91.2146.7-177.7-175.90000110.4
200L32.4Very low32.4Very low58 Ų58125.4 Ų125.430%0.30469%0.693SS.*  trans-134134.6-178.8-81.7123000110.8R185 F220 E221R185-L200 VanDerWaalsContact NH2-N 3.14Å; L200-F220 HydrophobicContact CD2-CB 4.29Å; L200-F220 HydrophobicContact CD2-CD1 4.3Å; L200-E221 VanDerWaalsContact CA-OE2 3.26Å; L200-E221 WeakPolarHBondContact CA-OE2 3.3Å; L200-E221 HydrophobicContact CD2-CB 3.58Å; L200-E221 HydrophobicContact CD2-CG 4.08Å; L200-E221 HydrophobicContact CG-CB 4.14Å
201C29.2Very low31.7Very low83 Ų83127.5 Ų127.556%0.56170%0.699SS**  trans-110.2144.4170.9-151.20000112.4E221C201-E221 WeakPolarHBondContact CA-OE1 3.48Å; C201-E221 WeakPolarHBondContact CB-OE1 3.2Å; C201-E221 PolarHBondContact N-OE1 3.14Å; C201-E221 PolarHBondContact N-OE2 2.69Å; C201-E221 WeakPolarHBondContact O-CG 3.3Å
202V31.3Very low31.1Very low110 Ų110129.1 Ų129.167%0.66771%0.705SS**PPolyproline II helixtrans-89.4116.8172176.10000107.6
203Q26.6Very low30.3Very low159 Ų159130.7 Ų130.774%0.74372%0.722SS**PPolyproline II helixtrans-101.8125.3172.7-65.7-154.75.800111.1K205Q203-K205 PolarHBondContact O-N 3.08Å
204P24.6Very low30.3Very low119 Ų119130.3 Ų130.377%0.77373%0.734SS**PPolyproline II helixtrans-63.6118.5156.2-11.526.5000107.7E206P204-E206 PolarHBondContact O-N 2.73Å
205K28.2Very low30.3Very low133 Ų133127 Ų12758%0.57871%0.713SS**  trans-77.9104.3177.7-159.3-170.3173.2-167.10108.8Q203 T207Q203-K205 PolarHBondContact O-N 3.08Å; K205-T207 WeakPolarHBondContact CD-OG1 3.34Å; K205-T207 WeakPolarHBondContact CE-OG1 3.49Å; K205-T207 WeakPolarHBondContact CG-OG1 3.2Å; K205-T207 PolarHBondContact O-N 3.02Å
206E23.1Very low31Very low199 Ų199126.4 Ų126.493%0.9371%0.71SS**  trans-65.3100.7159.4-70.5-178.7175.800107.1P204P204-E206 PolarHBondContact O-N 2.73Å
207T29.8Very low31.8Very low75 Ų75118 Ų11846%0.4668%0.683SS.*  trans-118.8120.3171.7-42.80000109K205K205-T207 WeakPolarHBondContact CD-OG1 3.34Å; K205-T207 WeakPolarHBondContact CE-OG1 3.49Å; K205-T207 WeakPolarHBondContact CG-OG1 3.2Å; K205-T207 PolarHBondContact O-N 3.02Å
208E26.8Very low32.7Very low183 Ų183113.4 Ų113.486%0.85565%0.65SS**SBendtrans-52.5140.6165.7-66.2172.2146.900110.7
209S27Very low33.5Very low107 Ų107109.6 Ų109.675%0.74863%0.632SS**SBendtrans79.195-179.9800000116.9
210S30.8Very low34.2Very low128 Ų128105.1 Ų105.190%0.89560%0.599SS**  trans47.571.2150.4-64.80000118.3
211Q34.5Very low34.5Very low149 Ų149106.7 Ų106.770%0.69661%0.605SS**  trans-137.2145.6160.7-72.5-173.7-24.400111.9
212V34.4Very low35.2Very low115 Ų115106.8 Ų106.870%0.69762%0.62SS**  trans-64.5135.8-162.6-179.40000112.5
213P25.7Very low35.8Very low126 Ų126103 Ų10382%0.81860%0.595SS**THydrogen-bonded Turntrans-65.1138.6-179.3-18.530.2000113.8
214G31.8Very low36.7Very low87 Ų87101 Ų10190%0.89760%0.596SS**THydrogen-bonded Turntrans107.15.4164.900000117.7
215R39.3Very low37.9Very low112 Ų11298.4 Ų98.442%0.42358%0.577SS.*  trans-95.4142.3-175-173.8176.3130.8129.9-7.4113.9P139 T140 S142 N143 D217P139-R215 PolarHBondContact O-NH1 3.44Å; T140-R215 PolarHBondContact O-NH1 3.25Å; S142-R215 PolarHBondContact O-NH1 2.79Å; N143-R215 PolarHBondContact OD1-NH1 2.83Å; N143-R215 PolarHBondContact OD1-NH2 3.44Å; R215-D217 IonicContact CZ-OD1 3.53Å; R215-D217 IonicContact NE-OD1 2.71Å; R215-D217 PolarHBondContact NE-OD1 3.48Å; R215-D217 IonicContact NH2-OD1 2.82Å; R215-D217 PolarHBondContact NH2-OD1 3.06Å
216V45.8Very low38.8Very low95 Ų9592.9 Ų92.958%0.57656%0.558SS**  trans-107.1112.3172.4-178.10000109.2
217D47.2Very low40Very low62 Ų6292.3 Ų92.333%0.33255%0.553SS.*  trans-79.9135.2167.6-71.8-22.8000109.2R215 V219R215-D217 IonicContact CZ-OD1 3.53Å; R215-D217 IonicContact NE-OD1 2.71Å; R215-D217 PolarHBondContact NE-OD1 3.48Å; R215-D217 IonicContact NH2-OD1 2.82Å; R215-D217 PolarHBondContact NH2-OD1 3.06Å; D217-V219 HydrophobicContact CB-CG2 3.97Å; D217-V219 PolarHBondContact O-N 3.42Å
218V53.2Low40.9Very low19 Ų1992.3 Ų92.312%0.11555%0.547CS..  trans-80.1101.2171.9-168.30000108M145 A165 L168M145-V218 HydrophobicContact CE-CB 4.01Å; M145-V218 HydrophobicContact CE-CG1 3.37Å; M145-V218 WeakPolarHBondContact CE-O 3.42Å; M145-V218 HydrophobicContact SD-CG1 4.49Å; A165-V218 HydrophobicContact CB-CG1 4.19Å; L168-V218 HydrophobicContact CB-CG1 4.45Å; L168-V218 HydrophobicContact CB-CG2 4.22Å; L168-V218 HydrophobicContact CD1-CG1 4.03Å
219V51Low41.9Very low75 Ų7584.5 Ų84.546%0.45551%0.514SS..  trans-126.5131177.5-176.60000108.9D217 V225D217-V219 HydrophobicContact CB-CG2 3.97Å; D217-V219 PolarHBondContact O-N 3.42Å; V219-V225 HydrophobicContact CG1-CG2 3.93Å; V219-V225 HydrophobicContact CG2-CG2 4.27Å
220F45.4Very low42.8Very low14 Ų1483.6 Ų83.66%0.06150%0.495CS..  trans-85.3138.1169.9-66.2-69.6000110.4M145 K161 E164 L200 E223M145-F220 HydrophobicContact CE-CD2 3.37Å; M145-F220 HydrophobicContact CE-CE2 3.11Å; M145-F220 HydrophobicContact CE-CG 4.3Å; M145-F220 HydrophobicContact CE-CZ 3.86Å; M145-F220 HydrophobicContact SD-CD2 4.08Å; M145-F220 HydrophobicContact SD-CE2 3.38Å; M145-F220 WeakPolarHBondContact SD-CE2 3Å; M145-F220 HydrophobicContact SD-CZ 4.18Å; K161-F220 HydrophobicContact CB-CE2 3.91Å; K161-F220 HydrophobicContact CB-CZ 3.69Å; K161-F220 HydrophobicContact CD-CE2 4.23Å; K161-F220 HydrophobicContact CG-CE1 4.44Å; K161-F220 HydrophobicContact CG-CE2 4.21Å; K161-F220 HydrophobicContact CG-CZ 4.02Å; K161-F220 WeakPolarHBondContact O-CZ 3.24Å; E164-F220 HydrophobicContact CG-CE1 4Å; E164-F220 HydrophobicContact CG-CZ 4.41Å; L200-F220 HydrophobicContact CD2-CB 4.29Å; L200-F220 HydrophobicContact CD2-CD1 4.3Å; F220-E223 HydrophobicContact CB-CG 4.45Å; F220-E223 PolarHBondContact O-N 3.36Å
221E39Very low43.2Very low91 Ų9181.8 Ų81.843%0.42549%0.488SS..THydrogen-bonded Turntrans-61.3141170.1-74-168.616200111.5L200 C201 E223L200-E221 VanDerWaalsContact CA-OE2 3.26Å; L200-E221 WeakPolarHBondContact CA-OE2 3.3Å; L200-E221 HydrophobicContact CD2-CB 3.58Å; L200-E221 HydrophobicContact CD2-CG 4.08Å; L200-E221 HydrophobicContact CG-CB 4.14Å; C201-E221 WeakPolarHBondContact CA-OE1 3.48Å; C201-E221 WeakPolarHBondContact CB-OE1 3.2Å; C201-E221 PolarHBondContact N-OE1 3.14Å; C201-E221 PolarHBondContact N-OE2 2.69Å; C201-E221 WeakPolarHBondContact O-CG 3.3Å; E221-E223 PolarHBondContact O-N 3.06Å
222G42.9Very low43.4Very low85 Ų8575.9 Ų75.988%0.87646%0.464SS*.THydrogen-bonded Turntrans82.3-13.9-178.900000114.4
223E43.8Very low43.6Very low31 Ų3175.3 Ų75.315%0.14547%0.472CS..SBendtrans-88123.9170-76.3-176.7178.800109.7S148 K161 F220 E221 V225S148-E223 WeakPolarHBondContact CB-OE1 3.23Å; S148-E223 PolarHBondContact N-OE1 2.82Å; S148-E223 PolarHBondContact OG-OE1 3.4Å; K161-E223 IonicContact NZ-OE1 2.88Å; K161-E223 PolarHBondContact NZ-OE1 3.25Å; F220-E223 HydrophobicContact CB-CG 4.45Å; F220-E223 PolarHBondContact O-N 3.36Å; E221-E223 PolarHBondContact O-N 3.06Å; E223-V225 PolarHBondContact O-N 3.32Å
224P45.9Very low44.5Very low117 Ų11772.8 Ų72.876%0.7645%0.454SS*.  trans-61129.8170.125.2-30.9000108G226P224-G226 PolarHBondContact O-N 2.98Å
225V50.4Low45.2Very low63 Ų6372 Ų7238%0.38243%0.431SS..  trans-56115.3164.9-173.10000106V219 E223 K227 Y230V219-V225 HydrophobicContact CG1-CG2 3.93Å; V219-V225 HydrophobicContact CG2-CG2 4.27Å; E223-V225 PolarHBondContact O-N 3.32Å; V225-K227 PolarHBondContact O-N 2.54Å; V225-Y230 HydrophobicContact CB-CE2 4.09Å; V225-Y230 HydrophobicContact CG1-CD2 4.04Å; V225-Y230 HydrophobicContact CG1-CE2 3.3Å
226G47.7Very low45.5Very low17 Ų1769.8 Ų69.818%0.17543%0.432CS..  trans-53.8118.6-174.100000108.3P224 E228 A229P224-G226 PolarHBondContact O-N 2.98Å; G226-E228 PolarHBondContact O-N 3.4Å; G226-A229 VanDerWaalsContact O-CB 3.31Å; G226-A229 WeakPolarHBondContact O-CB 3.44Å; G226-A229 PolarHBondContact O-N 2.91Å
227K48.7Very low45.5Very low188 Ų18868.3 Ų68.382%0.81742%0.423SS*.Hα-helixtrans-52.2-27.9175.4-67.4-177.6178.3-179.10111.2V225 A229 Y230 A231V225-K227 PolarHBondContact O-N 2.54Å; K227-A229 VanDerWaalsContact C-N 3.29Å; K227-A229 PolarHBondContact O-N 3.39Å; K227-Y230 PolarHBondContact O-N 2.82Å; K227-A231 WeakPolarHBondContact O-CB 3.32Å; K227-A231 PolarHBondContact O-N 2.82Å
228E47.1Very low45.4Very low74 Ų7468.7 Ų68.735%0.34643%0.429SS..Hα-helixtrans-53.9-37171.3-63.2166.3-176.500113.6V131 K146 G226V131-E228 HydrophobicContact CG2-CB 4.13Å; K146-E228 IonicContact NZ-OE1 3.44Å; K146-E228 PolarHBondContact NZ-OE1 2.85Å; K146-E228 IonicContact NZ-OE2 3Å; K146-E228 PolarHBondContact NZ-OE2 3.13Å; G226-E228 PolarHBondContact O-N 3.4Å
229A47.7Very low44.8Very low19 Ų1972 Ų7216%0.15745%0.45CS..Hα-helixtrans-68.1-35.3-179.300000112.4W144 G226 K227W144-A229 HydrophobicContact CE3-CB 3.74Å; W144-A229 HydrophobicContact CZ3-CB 3.97Å; G226-A229 VanDerWaalsContact O-CB 3.31Å; G226-A229 WeakPolarHBondContact O-CB 3.44Å; G226-A229 PolarHBondContact O-N 2.91Å; K227-A229 VanDerWaalsContact C-N 3.29Å; K227-A229 PolarHBondContact O-N 3.39Å
230Y46.2Very low44.4Very low88 Ų8871.8 Ų71.835%0.34545%0.449SS..Hα-helixtrans-92.6-27.5179.6-66-69.3000113.4V225 K227 A232 A233V225-Y230 HydrophobicContact CB-CE2 4.09Å; V225-Y230 HydrophobicContact CG1-CD2 4.04Å; V225-Y230 HydrophobicContact CG1-CE2 3.3Å; K227-Y230 PolarHBondContact O-N 2.82Å; Y230-A232 PolarHBondContact O-N 2.71Å; Y230-A232 VanDerWaalsContact O-N 3.12Å; Y230-A233 PolarHBondContact O-N 2.95Å; Y230-A233 VanDerWaalsContact O-N 3.14Å
231A40.2Very low44.3Very low90 Ų9076.2 Ų76.274%0.74448%0.479SS*.Hα-helixtrans-64.6-14.1176.900000113.3K227K227-A231 WeakPolarHBondContact O-CB 3.32Å; K227-A231 PolarHBondContact O-N 2.82Å
232A37.8Very low44.8Very low25 Ų2575 Ų7521%0.20748%0.484CS..THydrogen-bonded Turntrans-96.9-6.6177.800000114.2R107 V131 Y230R107-A232 PolarHBondContact NH2-O 2.72Å; V131-A232 HydrophobicContact CG1-CB 4.29Å; Y230-A232 PolarHBondContact O-N 2.71Å; Y230-A232 VanDerWaalsContact O-N 3.12Å
233A38.8Very low44.9Very low103 Ų10374.1 Ų74.185%0.85145%0.448SS*.  trans-81.80179.700000111.2R107 Y230R107-A233 PolarHBondContact NH1-O 3.29Å; Y230-A233 PolarHBondContact O-N 2.95Å; Y230-A233 VanDerWaalsContact O-N 3.14Å

Retrieved 233 of 233 residues in 194.3 ms (Link to these results)

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