A0A096MMS2_PAPAN Loading...

Rho-related BTB domain-containing protein 3

Rab9-regulated ATPase required for endosome to Golgi transport. Involved in transport vesicle docking at the Golgi complex, possibly by participating in release M6PRBP1/TIP47 from vesicles to permit their efficient docking and fusion at the Golgi. Specifically binds Rab9, but not other Rab proteins. Has low intrinsic ATPase activity due to autoinhibition, which is relieved by Rab9.

AlphaFold DB (A0A2K6A5J6), UniProt , Accession A0A096MMS2, Species PAPAN (Papio anubis, Olive baboon), Gene RHOBTB3, Length 611 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
1M71.9Confident83.3Confident90 Ų9025.2 Ų25.244%0.44313%0.133SC..  0150.70-75.4-168177.900107V66 K67 L199 T203 K206M1-V66 WeakPolarHBondContact O-CG1 3.32Å; M1-K67 PolarHBondContact O-N 3.11Å; M1-L199 HydrophobicContact CB-CD2 3.86Å; M1-L199 HydrophobicContact SD-CD2 3.91Å; M1-T203 HydrophobicContact CE-CG2 3.33Å; M1-T203 HydrophobicContact SD-CG2 3.87Å; M1-K206 HydrophobicContact CE-CD 3.93Å
2S81.4Confident81.7Confident44 Ų4425.3 Ų25.331%0.30814%0.144SC..EExtended strand (participates in β ladder)trans-108.9143.4172.957.20000111.6H4 K67 K202S2-H4 PolarHBondContact OG-NE2 3.21Å; S2-K67 CarbonylContact C-O 3.53Å; S2-K67 WeakPolarHBondContact CA-O 3.47Å; S2-K202 PolarHBondContact O-NZ 3.41Å
3I86.4Confident79.3Confident0 Ų032.3 Ų32.30%018%0.181CC..EExtended strand (participates in β ladder)trans-116.3126.8167.3-57.7178.5000107.3I5 V66 K67 L68 V69 D94 I95 M195 L199I3-I5 HydrophobicContact CG2-CG1 4.06Å; I3-V66 HydrophobicContact CD1-CG1 4.02Å; I3-V66 HydrophobicContact CG1-CG1 3.93Å; I3-K67 PolarHBondContact N-O 2.86Å; I3-L68 HydrophobicContact CB-CD1 4.09Å; I3-L68 HydrophobicContact CG2-CD1 4.28Å; I3-V69 PolarHBondContact O-N 3.44Å; I3-D94 WeakPolarHBondContact CA-OD2 3.46Å; I3-D94 HydrophobicContact CG2-CB 4.02Å; I3-I95 HydrophobicContact CG2-CD1 4.3Å; I3-M195 HydrophobicContact CD1-CB 3.6Å; I3-M195 HydrophobicContact CD1-CE 3.99Å; I3-M195 HydrophobicContact CD1-CG 3.86Å; I3-M195 HydrophobicContact CG2-CG 4.42Å; I3-L199 HydrophobicContact CD1-CD1 3.87Å; I3-L199 HydrophobicContact CD1-CD2 4Å; I3-L199 HydrophobicContact CD1-CG 3.66Å; I3-L199 HydrophobicContact CG1-CD2 3.95Å; I3-L199 HydrophobicContact CG1-CG 4.12Å
4H88.9Confident76.6Confident58 Ų5836.7 Ų36.727%0.26922%0.224SC..EExtended strand (participates in β ladder)trans-103.9116.7178.4-62.8-91000108.7S2 V69 D94 I95S2-H4 PolarHBondContact OG-NE2 3.21Å; H4-V69 CarbonylContact C-O 3.59Å; H4-V69 WeakPolarHBondContact CA-O 3.36Å; H4-D94 IonicContact CD2-OD2 2.96Å; H4-D94 PolarHBondContact N-OD2 2.86Å; H4-D94 WeakPolarHBondContact O-CB 3.38Å; H4-D94 PolarHBondContact O-N 3.04Å; H4-I95 PolarHBondContact O-N 2.94Å
5I89.4Confident74Confident1 Ų146.3 Ų46.31%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-111133.3177.9-56.6174000107.6I3 L68 V69 V70 H71 I95 V97 L191I3-I5 HydrophobicContact CG2-CG1 4.06Å; I5-L68 HydrophobicContact CD1-CD1 3.44Å; I5-L68 VanDerWaalsContact CD1-CD1 3.44Å; I5-L68 HydrophobicContact CD1-CD2 4.33Å; I5-L68 HydrophobicContact CD1-CG 4.15Å; I5-L68 HydrophobicContact CG1-CD1 4.16Å; I5-V69 PolarHBondContact N-O 2.89Å; I5-V70 HydrophobicContact CB-CB 4.38Å; I5-V70 HydrophobicContact CB-CG1 4.03Å; I5-V70 HydrophobicContact CB-CG2 4.1Å; I5-V70 HydrophobicContact CD1-CG2 4.15Å; I5-V70 HydrophobicContact CG2-CG1 4.07Å; I5-V70 CarbonylContact O-C 3.4Å; I5-V70 VanDerWaalsContact O-CA 3.3Å; I5-V70 WeakPolarHBondContact O-CA 3.34Å; I5-H71 PolarHBondContact O-N 3.47Å; I5-I95 WeakPolarHBondContact CA-O 3.35Å; I5-I95 HydrophobicContact CG1-CB 4.3Å; I5-I95 HydrophobicContact CG1-CD1 4.41Å; I5-V97 HydrophobicContact CG2-CG2 3.94Å; I5-L191 HydrophobicContact CD1-CD1 4.02Å; I5-L191 HydrophobicContact CD1-CD2 4.25Å; I5-L191 HydrophobicContact CD1-CG 4.42Å
6V89Confident71.5Confident1 Ų155.1 Ų55.11%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-113.3117.8172.4-179.90000108.2L8 H71 L89 A93 I95 I96 V97V6-L8 HydrophobicContact CG1-CD2 3.68Å; V6-L8 HydrophobicContact CG1-CG 4.02Å; V6-H71 CarbonylContact C-O 3.51Å; V6-H71 WeakPolarHBondContact CA-O 3.33Å; V6-L89 HydrophobicContact CG1-CD2 4.37Å; V6-L89 HydrophobicContact CG2-CG 4.02Å; V6-A93 HydrophobicContact CB-CB 4.21Å; V6-A93 HydrophobicContact CG2-CB 3.65Å; V6-I95 PolarHBondContact N-O 2.89Å; V6-I96 CarbonylContact O-C 3.53Å; V6-I96 WeakPolarHBondContact O-CA 3.29Å; V6-V97 PolarHBondContact O-N 2.87Å
7A88.1Confident69.5Low0 Ų063.1 Ų63.10%033%0.334CS..EExtended strand (participates in β ladder)trans-102.2130.6176.100000110I25 H71 D72 C73 V97A7-I25 HydrophobicContact CB-CD1 4.07Å; A7-I25 HydrophobicContact CB-CG1 3.74Å; A7-H71 PolarHBondContact N-O 2.99Å; A7-D72 HydrophobicContact CB-CB 4.46Å; A7-C73 PolarHBondContact O-N 3.33Å; A7-V97 CarbonylContact C-O 3.58Å; A7-V97 VanDerWaalsContact CA-O 3.23Å; A7-V97 WeakPolarHBondContact CA-O 3.26Å; A7-V97 HydrophobicContact CB-CB 4.26Å
8L86.8Confident67.5Low0 Ų067.8 Ų67.80%036%0.36CS..EExtended strand (participates in β ladder)trans-130.1139.1-170.4-57.8172.4000110.4V6 C73 F79 I96 V97 I98 K99 Y115 I119V6-L8 HydrophobicContact CG1-CD2 3.68Å; V6-L8 HydrophobicContact CG1-CG 4.02Å; L8-C73 WeakPolarHBondContact CA-O 3.42Å; L8-C73 HydrophobicContact CD2-CB 3.96Å; L8-F79 HydrophobicContact CD2-CE2 4.22Å; L8-F79 HydrophobicContact CD2-CZ 3.91Å; L8-I96 HydrophobicContact CD1-CG2 3.87Å; L8-V97 PolarHBondContact N-O 2.92Å; L8-I98 CarbonylContact O-C 3.57Å; L8-I98 WeakPolarHBondContact O-CA 3.37Å; L8-K99 PolarHBondContact O-N 2.69Å; L8-Y115 HydrophobicContact CB-CD1 3.8Å; L8-Y115 HydrophobicContact CB-CE1 3.8Å; L8-Y115 HydrophobicContact CD1-CD1 3.97Å; L8-Y115 HydrophobicContact CD2-CD1 4.13Å; L8-Y115 HydrophobicContact CD2-CE1 3.95Å; L8-Y115 HydrophobicContact CG-CD1 4.17Å; L8-Y115 HydrophobicContact CG-CE1 4.3Å; L8-I119 HydrophobicContact CD1-CD1 3.71Å; L8-I119 HydrophobicContact CD1-CG1 4.25Å
9G81.3Confident66Low0 Ų072.7 Ų72.70%039%0.386CS..SBendtrans94.1179.6177.700000113.6C73 P74 K99G9-C73 PolarHBondContact N-O 2.83Å; G9-P74 WeakPolarHBondContact O-CA 3.23Å; G9-K99 CarbonylContact C-O 3.55Å; G9-K99 WeakPolarHBondContact CA-O 3.49Å; G9-K99 WeakPolarHBondContact O-CE 3.42Å; G9-K99 WeakPolarHBondContact O-CG 3.38Å
10N79.5Confident64.9Low60 Ų6079.6 Ų79.632%0.32141%0.406SS..  trans-129.4135.1-168.2-173.212.2000112.6G12 K99 Y100 N101N10-G12 PolarHBondContact OD1-N 3.43Å; N10-K99 PolarHBondContact N-O 3.49Å; N10-Y100 WeakPolarHBondContact O-CA 3.12Å; N10-N101 PolarHBondContact O-N 3.27Å
11E73.8Confident64Low23 Ų2381.1 Ų81.111%0.10742%0.421CS..  trans-107.81.4-179.367.4-88.3-143.200114.6G23 L24 K99 V133 L178E11-G23 WeakPolarHBondContact OE1-CA 3.36Å; E11-L24 PolarHBondContact OE1-N 3.08Å; E11-K99 VanDerWaalsContact CD-NZ 3.35Å; E11-K99 IonicContact OE1-NZ 3.61Å; E11-K99 PolarHBondContact OE1-NZ 2.92Å; E11-K99 WeakPolarHBondContact OE2-CD 3.37Å; E11-K99 WeakPolarHBondContact OE2-CE 3.43Å; E11-K99 IonicContact OE2-NZ 3.66Å; E11-K99 PolarHBondContact OE2-NZ 3.12Å; E11-V133 HydrophobicContact CB-CB 4.25Å; E11-V133 HydrophobicContact CB-CG1 4.44Å; E11-V133 HydrophobicContact CB-CG2 4.29Å; E11-L178 HydrophobicContact CG-CD1 4.13Å
12G63.9Low63.3Low26 Ų2679.9 Ų79.927%0.26842%0.421SS..  trans-94.4149.1-173.400000116.1N10N10-G12 PolarHBondContact OD1-N 3.43Å
13D50.6Low62.9Low117 Ų11778.4 Ų78.463%0.62641%0.413SS*.  trans-77.4124.8163.7-98.7-27.1000109.8F15D13-F15 PolarHBondContact O-N 2.86Å
14A41.1Very low62.6Low94 Ų9478.4 Ų78.478%0.77741%0.413SS*.SBendtrans-70.54.8-177.900000114.8
15F37.3Very low62.3Low180 Ų18075.7 Ų75.779%0.78940%0.401SS*.  trans-132.478.6-178-77-87.2000111.4D13D13-F15 PolarHBondContact O-N 2.86Å
16H34.4Very low61.6Low187 Ų18780.7 Ų80.787%0.86642%0.42SS*.  trans-166.7104.8142.1-93.3-62000108.9D18H16-D18 PolarHBondContact O-N 3.06Å
17Q37.8Very low61Low191 Ų19181.6 Ų81.689%0.89343%0.425SS*.  trans-72.293.6161.2-76.2176.4200107.5
18D34Very low60.5Low149 Ų14983.9 Ų83.980%0.79743%0.434SS*.SBendtrans165.8134.2138-89-26.5000110H16H16-D18 PolarHBondContact O-N 3.06Å
19N38.3Very low59.9Low160 Ų16085.6 Ų85.686%0.85644%0.443SS*.SBendtrans74.3114.8-169.4-68.3-28.8000116
20R43.2Very low59Low211 Ų21187.3 Ų87.380%0.79646%0.461SS*.  trans-48.2121.9-175.4-64.8174.9-177-178-4111.8S22R20-S22 PolarHBondContact O-N 2.94Å
21P46.8Very low57.3Low111 Ų11196.8 Ų96.872%0.72149%0.492SS*.  trans-68132.7177.126-31.1000110.5G23P21-G23 PolarHBondContact O-N 2.98Å
22S57.2Low55.8Low64 Ų64100.5 Ų100.545%0.44852%0.521SS..  trans-82.296.1175.451.20000109.4R20 T27 L178R20-S22 PolarHBondContact O-N 2.94Å; S22-T27 WeakPolarHBondContact CB-OG1 3.14Å; S22-L178 WeakPolarHBondContact O-CD1 3.41Å
23G72.9Confident54.7Low13 Ų13102 Ų10213%0.13453%0.526CS..  trans-68.8159177.200000113.6E11 P21 I25 R26 T27E11-G23 WeakPolarHBondContact OE1-CA 3.36Å; P21-G23 PolarHBondContact O-N 2.98Å; G23-I25 PolarHBondContact O-N 3.37Å; G23-R26 WeakPolarHBondContact O-CB 3.36Å; G23-R26 PolarHBondContact O-N 2.96Å; G23-T27 PolarHBondContact O-N 2.88Å; G23-T27 PolarHBondContact O-OG1 3.33Å; G23-T27 VanDerWaalsContact O-OG1 3.14Å
24L80.4Confident54.3Low0 Ų0103.6 Ų103.60%053%0.534CS..Hα-helixtrans-51.6-50-172.5176.862.3000113.1E11 Y28 K99 A131 L175 L178 I183 F187E11-L24 PolarHBondContact OE1-N 3.08Å; L24-Y28 WeakPolarHBondContact O-CB 3.49Å; L24-Y28 PolarHBondContact O-N 3.12Å; L24-K99 HydrophobicContact CB-CD 4.5Å; L24-K99 HydrophobicContact CD2-CB 4.37Å; L24-A131 HydrophobicContact CD2-CB 3.57Å; L24-L175 HydrophobicContact CD1-CD1 3.48Å; L24-L175 VanDerWaalsContact CD1-CD1 3.48Å; L24-L175 HydrophobicContact CD2-CD1 4.27Å; L24-L178 HydrophobicContact CB-CD2 3.97Å; L24-L178 HydrophobicContact CD1-CD2 3.83Å; L24-I183 HydrophobicContact CD1-CD1 4Å; L24-I183 HydrophobicContact CD1-CG1 3.95Å; L24-F187 HydrophobicContact CD1-CB 4.5Å; L24-F187 HydrophobicContact CD1-CD1 4Å; L24-F187 HydrophobicContact CD1-CD2 4.36Å; L24-F187 HydrophobicContact CD1-CE1 4.3Å; L24-F187 HydrophobicContact CD1-CG 4.02Å; L24-F187 HydrophobicContact CD2-CD2 4.13Å; L24-F187 HydrophobicContact CD2-CE1 4.45Å; L24-F187 HydrophobicContact CD2-CE2 3.82Å; L24-F187 HydrophobicContact CD2-CZ 3.99Å; L24-F187 HydrophobicContact CG-CD1 4.31Å; L24-F187 HydrophobicContact CG-CE1 4.1Å; L24-F187 HydrophobicContact CG-CE2 4.34Å; L24-F187 HydrophobicContact CG-CZ 4.12Å
25I81.8Confident54.3Low2 Ų2104.1 Ų104.11%0.0153%0.527CS..Hα-helixtrans-66.2-39.9179.8-62.9-56.5000111.2A7 G23 Y28 L29 Y58 V70 F187A7-I25 HydrophobicContact CB-CD1 4.07Å; A7-I25 HydrophobicContact CB-CG1 3.74Å; G23-I25 PolarHBondContact O-N 3.37Å; I25-Y28 PolarHBondContact O-N 3.05Å; I25-L29 HydrophobicContact CG2-CD1 3.89Å; I25-L29 HydrophobicContact CG2-CG 4.46Å; I25-L29 WeakPolarHBondContact O-CG 3.09Å; I25-L29 PolarHBondContact O-N 2.88Å; I25-Y58 HydrophobicContact CG2-CD2 3.76Å; I25-Y58 HydrophobicContact CG2-CE2 3.94Å; I25-Y58 HydrophobicContact CG2-CG 4.43Å; I25-V70 HydrophobicContact CD1-CG1 4.39Å; I25-V70 HydrophobicContact CG1-CG1 4.41Å; I25-V70 HydrophobicContact CG2-CB 4.24Å; I25-V70 HydrophobicContact CG2-CG1 3.66Å; I25-F187 HydrophobicContact CD1-CE1 4.28Å; I25-F187 HydrophobicContact CD1-CZ 4.01Å
26R76.4Confident54.4Low105 Ų10598.7 Ų98.740%0.39651%0.511SS..Hα-helixtrans-67.8-40-178.7-172.7-178.8-173.1175.79.2111.9G23 G30G23-R26 WeakPolarHBondContact O-CB 3.36Å; G23-R26 PolarHBondContact O-N 2.96Å; R26-G30 PolarHBondContact O-N 2.89Å
27T75.3Confident54.4Low21 Ų2192.7 Ų92.713%0.12950%0.5CS..Hα-helixtrans-70.1-39.9176.8-49.50000110.8S22 G23 L29 G30 D180 I183S22-T27 WeakPolarHBondContact CB-OG1 3.14Å; G23-T27 PolarHBondContact O-N 2.88Å; G23-T27 PolarHBondContact O-OG1 3.33Å; G23-T27 VanDerWaalsContact O-OG1 3.14Å; T27-L29 PolarHBondContact O-N 3.44Å; T27-G30 PolarHBondContact O-N 3.13Å; T27-D180 WeakPolarHBondContact CG2-OD1 3.46Å; T27-I183 VanDerWaalsContact CB-CD1 3.49Å; T27-I183 HydrophobicContact CG2-CD1 3.52Å
28Y78.1Confident54Low48 Ų4890.5 Ų90.519%0.18850%0.495CS..Hα-helixtrans-60.7-43.1176.1174.1-109000113.4L24 I25 G30 I183 F187 L191L24-Y28 WeakPolarHBondContact O-CB 3.49Å; L24-Y28 PolarHBondContact O-N 3.12Å; I25-Y28 PolarHBondContact O-N 3.05Å; Y28-G30 PolarHBondContact O-N 2.79Å; Y28-I183 HydrophobicContact CD2-CG2 4.15Å; Y28-I183 HydrophobicContact CG-CG2 4.38Å; Y28-F187 HydrophobicContact CD1-CE1 4.41Å; Y28-F187 HydrophobicContact CD2-CD1 4.16Å; Y28-F187 HydrophobicContact CD2-CE1 4.47Å; Y28-F187 HydrophobicContact CG-CD1 4.15Å; Y28-F187 HydrophobicContact CG-CE1 4.06Å; Y28-L191 HydrophobicContact CD1-CD2 3.95Å; Y28-L191 HydrophobicContact CE1-CD2 3.52Å
29L73.4Confident53.9Low35 Ų3592.5 Ų92.518%0.18350%0.499CS..THydrogen-bonded Turntrans-77.9-5.9-179.2-62.2176.8000113.6I25 T27 Y58 A60 L68 V70I25-L29 HydrophobicContact CG2-CD1 3.89Å; I25-L29 HydrophobicContact CG2-CG 4.46Å; I25-L29 WeakPolarHBondContact O-CG 3.09Å; I25-L29 PolarHBondContact O-N 2.88Å; T27-L29 PolarHBondContact O-N 3.44Å; L29-Y58 VanDerWaalsContact CD1-CB 3.44Å; L29-Y58 HydrophobicContact CD1-CD1 4.4Å; L29-Y58 HydrophobicContact CD1-CG 3.91Å; L29-A60 HydrophobicContact CD2-CB 4.02Å; L29-L68 HydrophobicContact CD2-CD2 3.49Å; L29-L68 VanDerWaalsContact CD2-CD2 3.49Å; L29-V70 HydrophobicContact CD1-CG2 4.17Å
30G62.1Low53.4Low37 Ų3788.7 Ų88.738%0.38149%0.485SS..THydrogen-bonded Turntrans65177.1-17600000113.6R26 T27 Y28 S32R26-G30 PolarHBondContact O-N 2.89Å; T27-G30 PolarHBondContact O-N 3.13Å; Y28-G30 PolarHBondContact O-N 2.79Å; G30-S32 PolarHBondContact O-N 2.77Å
31R45.4Very low52.6Low258 Ų25884.1 Ų84.197%0.97449%0.486SS*.THydrogen-bonded Turntrans-68.219.6-179.1-67.6-171.7179.6-173.61.1115.1P33R31-P33 WeakPolarHBondContact O-CD 3.3Å
32S42.3Very low51.7Low101 Ų10186.3 Ų86.371%0.70649%0.491SS*.  trans-116.477.6179.2-152.90000112.2G30G30-S32 PolarHBondContact O-N 2.77Å
33P41.1Very low50.2Low57 Ų5790.6 Ų90.637%0.3751%0.507SS..  trans-100.5125158.532.3-23.3000109.7R31 V35R31-P33 WeakPolarHBondContact O-CD 3.3Å; P33-V35 HydrophobicContact CB-CG2 3.86Å; P33-V35 HydrophobicContact CG-CG2 3.88Å; P33-V35 PolarHBondContact O-N 3.17Å; P33-V35 VanDerWaalsContact O-N 3.08Å
34L40.6Very low48Very low152 Ų15298.3 Ų98.380%0.79655%0.545SS*.  trans-68.593.9142.9-81.4160.8000105.2S36L34-S36 PolarHBondContact O-N 2.84Å
35V40.8Very low45.3Very low105 Ų105105.2 Ų105.264%0.63658%0.582SS**  trans-69.398.3168-179.20000105.7P33 G37P33-V35 HydrophobicContact CB-CG2 3.86Å; P33-V35 HydrophobicContact CG-CG2 3.88Å; P33-V35 PolarHBondContact O-N 3.17Å; P33-V35 VanDerWaalsContact O-N 3.08Å; V35-G37 PolarHBondContact O-N 2.89Å
36S39.4Very low42.5Very low65 Ų65109.9 Ų109.946%0.45562%0.62SS.*  trans-7485.3164.155.60000107.3L34 D38L34-S36 PolarHBondContact O-N 2.84Å; S36-D38 VanDerWaalsContact C-N 3.3Å; S36-D38 PolarHBondContact O-N 3.47Å; S36-D38 VanDerWaalsContact O-N 3.13Å
37G35.9Very low40.2Very low62 Ų62109.5 Ų109.564%0.63964%0.64SS**  trans-7194.1158.300000107.5V35V35-G37 PolarHBondContact O-N 2.89Å
38D29.2Very low38.3Very low144 Ų144113.9 Ų113.977%0.7767%0.671SS**  trans-9284.6156.5-120.4-5.1000106.7S36 S40S36-D38 VanDerWaalsContact C-N 3.3Å; S36-D38 PolarHBondContact O-N 3.47Å; S36-D38 VanDerWaalsContact O-N 3.13Å; D38-S40 PolarHBondContact O-N 3.25Å
39E31.5Very low35.9Very low191 Ų191118 Ų11889%0.89370%0.701SS**  trans-66.876.4157-75.9-153.3159.700108.2
40S27.5Very low34.1Very low81 Ų81123.4 Ų123.457%0.56674%0.736SS**  trans176.885.6161.331.20000111.2D38D38-S40 PolarHBondContact O-N 3.25Å
41S26.7Very low32.7Very low115 Ų115126.2 Ų126.280%0.80476%0.755SS**SBend163.776.2127.646.30000109.8
42L27.4Very low32.4Very low157 Ų157124.6 Ų124.682%0.82275%0.749SS**  trans-166.754.9138.4-89.5-177.6000106.3L44L42-L44 PolarHBondContact O-N 3.34Å
43L26.9Very low32.5Very low153 Ų153124.7 Ų124.780%0.80175%0.747SS**  trans-75102.4163.8-76.8172.5000107.3
44L24.8Very low33.1Very low176 Ų176126.3 Ų126.392%0.92176%0.756SS**  trans-101.2104.1143.5-92.9161000107.1L42L42-L44 PolarHBondContact O-N 3.34Å
45N24.6Very low34.1Very low144 Ų144123.3 Ų123.377%0.7774%0.737SS**  trans-33.5126.3174.2-67.6-36.3000115.2
46A23.8Very low35.6Very low100 Ų100120.8 Ų120.883%0.82672%0.721SS**  -170.1121.2112.700000111.5
47A27.8Very low37.5Very low98 Ų98120.5 Ų120.581%0.8171%0.713SS**  trans-55.8156.7174.500000113.6
48S34.4Very low39.5Very low112 Ų112119 Ų11978%0.78369%0.688SS**  cis-165.998.1-3.644.10000106.5
49T28.8Very low41.8Very low134 Ų134114.6 Ų114.682%0.82266%0.663SS**SBendtrans-135.3142.5167.118.30000105.5A51T49-A51 PolarHBondContact O-N 3.21Å
50V33.9Very low44Very low150 Ų150106.8 Ų106.891%0.90963%0.631SS**  trans-4893-169.7-178.50000111.7R52V50-R52 PolarHBondContact O-N 3.07Å
51A33.3Very low46.1Very low95 Ų95107.6 Ų107.679%0.78564%0.637SS**  trans-84.5114.8-17300000109.5T49T49-A51 PolarHBondContact O-N 3.21Å
52R38.7Very low48.1Very low225 Ų225103 Ų10385%0.84961%0.606SS**  trans-71.8139.6169.8-73.1179.8171.3-178.3-2.3108.9V50 V54V50-R52 PolarHBondContact O-N 3.07Å; R52-V54 PolarHBondContact O-N 3.15Å
53P44.4Very low50.1Low102 Ų102100.2 Ų100.266%0.66259%0.587SS**  trans-62136.3177.124.5-31.8000110.8F55P53-F55 VanDerWaalsContact C-N 3.33Å; P53-F55 PolarHBondContact O-N 3.26Å
54V54.6Low51.9Low92 Ų9295.8 Ų95.856%0.55858%0.579SS**SBendtrans-65.2-32.4-173.4176.80000112R52 I78R52-V54 PolarHBondContact O-N 3.15Å; V54-I78 HydrophobicContact CG1-CB 3.97Å; V54-I78 HydrophobicContact CG1-CD1 4.41Å; V54-I78 HydrophobicContact CG1-CG1 3.6Å; V54-I78 HydrophobicContact CG1-CG2 3.59Å; V54-I78 WeakPolarHBondContact O-CD1 3.41Å; V54-I78 VanDerWaalsContact O-CG1 3.3Å; V54-I78 WeakPolarHBondContact O-CG1 3.07Å
55F62.4Low54.1Low89 Ų8994.7 Ų94.739%0.3957%0.574SS.*SBendtrans-149.6161.2166.861.6-88.2000109.1P53 H71 D72 C73P53-F55 VanDerWaalsContact C-N 3.33Å; P53-F55 PolarHBondContact O-N 3.26Å; F55-H71 AromaticContact CE2-ND1 3.89Å; F55-D72 CarbonylContact C-O 3.52Å; F55-D72 WeakPolarHBondContact CA-O 3.46Å; F55-D72 WeakPolarHBondContact CB-O 3.47Å; F55-C73 VanDerWaalsContact CB-SG 3.58Å
56T72.2Confident56.5Low51 Ų5188.7 Ų88.731%0.31354%0.542SS..EExtended strand (participates in β ladder)trans-112.4124.8175.8-53.60000110.3Y58 D72T56-Y58 HydrophobicContact CG2-CD2 4.36Å; T56-Y58 HydrophobicContact CG2-CE1 3.95Å; T56-Y58 HydrophobicContact CG2-CE2 3.77Å; T56-D72 PolarHBondContact N-O 3.38Å; T56-D72 PolarHBondContact O-N 3.04Å
57E78.2Confident59.3Low59 Ų5988.5 Ų88.528%0.27652%0.523SS..EExtended strand (participates in β ladder)trans-94.2127.5172.5-169.1-176.1107.600110.8Q59 V69 V70 H71E57-Q59 PolarHBondContact OE1-NE2 2.86Å; E57-V69 HydrophobicContact CG-CG1 3.78Å; E57-V70 CarbonylContact C-O 3.54Å; E57-V70 VanDerWaalsContact CA-O 3.31Å; E57-V70 WeakPolarHBondContact CA-O 3.33Å; E57-H71 IonicContact OE2-CE1 3.27Å; E57-H71 PolarHBondContact OE2-CE1 2.83Å; E57-H71 IonicContact OE2-ND1 3.56Å; E57-H71 IonicContact OE2-NE2 3.94Å
58Y77.8Confident61.9Low30 Ų3084 Ų8412%0.11849%0.485CS..EExtended strand (participates in β ladder)trans-110.2131.6171.5-55.7-86.4000110I25 L29 T56 V69 V70 D72I25-Y58 HydrophobicContact CG2-CD2 3.76Å; I25-Y58 HydrophobicContact CG2-CE2 3.94Å; I25-Y58 HydrophobicContact CG2-CG 4.43Å; L29-Y58 VanDerWaalsContact CD1-CB 3.44Å; L29-Y58 HydrophobicContact CD1-CD1 4.4Å; L29-Y58 HydrophobicContact CD1-CG 3.91Å; T56-Y58 HydrophobicContact CG2-CD2 4.36Å; T56-Y58 HydrophobicContact CG2-CE1 3.95Å; T56-Y58 HydrophobicContact CG2-CE2 3.77Å; Y58-V69 CarbonylContact O-C 3.58Å; Y58-V69 WeakPolarHBondContact O-CA 3.18Å; Y58-V70 HydrophobicContact CD2-CB 4.41Å; Y58-V70 PolarHBondContact N-O 3.34Å; Y58-V70 PolarHBondContact O-N 3.36Å; Y58-D72 HydrophobicContact CD2-CB 4.27Å; Y58-D72 HydrophobicContact CE2-CB 3.68Å
59Q78.6Confident64.3Low52 Ų5279.1 Ų79.124%0.24345%0.451CS..EExtended strand (participates in β ladder)trans-114128.3171.8-62.7-171.717.100110.2E57 L68E57-Q59 PolarHBondContact OE1-NE2 2.86Å; Q59-L68 WeakPolarHBondContact CA-O 3.09Å
60A76.9Confident67Low27 Ų2772.9 Ų72.922%0.22341%0.412CS..EExtended strand (participates in β ladder)trans-140.2169.6177.900000110.9L29 L68L29-A60 HydrophobicContact CD2-CB 4.02Å; A60-L68 HydrophobicContact CB-CB 4.23Å; A60-L68 HydrophobicContact CB-CD2 4.31Å; A60-L68 PolarHBondContact N-O 2.85Å; A60-L68 WeakPolarHBondContact O-CB 3.33Å; A60-L68 PolarHBondContact O-N 3.4Å
61S72.8Confident69.5Low98 Ų9866.7 Ų66.769%0.68537%0.374SS*.EExtended strand (participates in β ladder)trans-112.6124.9170.7-64.10000109.6V66S61-V66 WeakPolarHBondContact CA-O 3.26Å
62A66.8Low71.8Confident20 Ų2062.7 Ų62.717%0.16534%0.339CS..EExtended strand (participates in β ladder)trans-115.5153.3175.700000110.2G64 V66 M195A62-G64 VanDerWaalsContact C-N 3.27Å; A62-G64 PolarHBondContact O-N 3.5Å; A62-V66 PolarHBondContact N-O 2.92Å; A62-V66 WeakPolarHBondContact O-CA 3.39Å; A62-V66 VanDerWaalsContact O-CB 3.22Å; A62-V66 WeakPolarHBondContact O-CB 3.42Å; A62-V66 PolarHBondContact O-N 2.63Å; A62-M195 HydrophobicContact CB-CE 3.48Å; A62-M195 VanDerWaalsContact CB-CE 3.48Å
63F69.7Low73.8Confident97 Ų9752 Ų5243%0.42530%0.299SS..THydrogen-bonded Turntrans49.844.5178-49.9-64.8000113.7N65 V66 E192 M195 I196 L199F63-N65 PolarHBondContact O-N 3.47Å; F63-N65 VanDerWaalsContact O-N 3.13Å; F63-V66 HydrophobicContact CB-CG2 4.33Å; F63-E192 HydrophobicContact CE1-CG 4.39Å; F63-E192 HydrophobicContact CZ-CB 3.94Å; F63-E192 HydrophobicContact CZ-CG 3.89Å; F63-M195 HydrophobicContact CD2-CE 4.4Å; F63-M195 HydrophobicContact CE2-CB 3.95Å; F63-M195 HydrophobicContact CE2-CE 3.85Å; F63-I196 HydrophobicContact CE1-CD1 4.41Å; F63-I196 HydrophobicContact CE1-CG1 4.45Å; F63-I196 HydrophobicContact CE2-CG1 4.28Å; F63-I196 HydrophobicContact CZ-CD1 4.2Å; F63-I196 HydrophobicContact CZ-CG1 3.93Å; F63-L199 HydrophobicContact CD2-CD1 4.19Å
64G65.5Low75Confident60 Ų6049.2 Ų49.262%0.61928%0.281SS*.THydrogen-bonded Turntrans82.5-74.8-177.100000113.3A62A62-G64 VanDerWaalsContact C-N 3.27Å; A62-G64 PolarHBondContact O-N 3.5Å
65N69.9Low75.6Confident153 Ų15347.9 Ų47.982%0.81827%0.272SS*.THydrogen-bonded Turntrans-125.918.4-167.9-64.1-9.9000114.4F63F63-N65 PolarHBondContact O-N 3.47Å; F63-N65 VanDerWaalsContact O-N 3.13Å
66V76.9Confident75.8Confident18 Ų1845 Ų4511%0.10926%0.259CS..EExtended strand (participates in β ladder)trans-90.6119.7176.3-176.80000109.2M1 I3 S61 A62 F63 L68 L199M1-V66 WeakPolarHBondContact O-CG1 3.32Å; I3-V66 HydrophobicContact CD1-CG1 4.02Å; I3-V66 HydrophobicContact CG1-CG1 3.93Å; S61-V66 WeakPolarHBondContact CA-O 3.26Å; A62-V66 PolarHBondContact N-O 2.92Å; A62-V66 WeakPolarHBondContact O-CA 3.39Å; A62-V66 VanDerWaalsContact O-CB 3.22Å; A62-V66 WeakPolarHBondContact O-CB 3.42Å; A62-V66 PolarHBondContact O-N 2.63Å; F63-V66 HydrophobicContact CB-CG2 4.33Å; V66-L68 PolarHBondContact O-N 2.68Å; V66-L199 HydrophobicContact CG1-CD1 4.25Å; V66-L199 HydrophobicContact CG1-CD2 3.88Å; V66-L199 HydrophobicContact CG2-CD1 4.05Å; V66-L199 HydrophobicContact CG2-CD2 4.33Å
67K81.8Confident75.2Confident97 Ų9747.8 Ų47.842%0.42227%0.272SS..EExtended strand (participates in β ladder)trans-73.5118176.4-171.3176.7-177.9179.20109M1 S2 I3 V69M1-K67 PolarHBondContact O-N 3.11Å; S2-K67 CarbonylContact C-O 3.53Å; S2-K67 WeakPolarHBondContact CA-O 3.47Å; I3-K67 PolarHBondContact N-O 2.86Å; K67-V69 HydrophobicContact CD-CG2 4.38Å; K67-V69 HydrophobicContact CG-CG2 4.26Å
68L81.5Confident74.2Confident3 Ų346.1 Ų46.12%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-93.2129.9170.3-165.576.9000108.3I3 I5 L29 Q59 A60 V66 V70 M195I3-L68 HydrophobicContact CB-CD1 4.09Å; I3-L68 HydrophobicContact CG2-CD1 4.28Å; I5-L68 HydrophobicContact CD1-CD1 3.44Å; I5-L68 VanDerWaalsContact CD1-CD1 3.44Å; I5-L68 HydrophobicContact CD1-CD2 4.33Å; I5-L68 HydrophobicContact CD1-CG 4.15Å; I5-L68 HydrophobicContact CG1-CD1 4.16Å; L29-L68 HydrophobicContact CD2-CD2 3.49Å; L29-L68 VanDerWaalsContact CD2-CD2 3.49Å; Q59-L68 WeakPolarHBondContact CA-O 3.09Å; A60-L68 HydrophobicContact CB-CB 4.23Å; A60-L68 HydrophobicContact CB-CD2 4.31Å; A60-L68 PolarHBondContact N-O 2.85Å; A60-L68 WeakPolarHBondContact O-CB 3.33Å; A60-L68 PolarHBondContact O-N 3.4Å; V66-L68 PolarHBondContact O-N 2.68Å; L68-V70 HydrophobicContact CD2-CG2 3.59Å; L68-V70 HydrophobicContact CG-CG2 3.82Å; L68-M195 HydrophobicContact CD1-CE 3.43Å; L68-M195 VanDerWaalsContact CD1-CE 3.43Å; L68-M195 HydrophobicContact CD1-SD 4.14Å
69V86.4Confident73.2Confident9 Ų945.4 Ų45.46%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-122.5118169.7-174.80000107.1I3 H4 I5 E57 Y58 K67I3-V69 PolarHBondContact O-N 3.44Å; H4-V69 CarbonylContact C-O 3.59Å; H4-V69 WeakPolarHBondContact CA-O 3.36Å; I5-V69 PolarHBondContact N-O 2.89Å; E57-V69 HydrophobicContact CG-CG1 3.78Å; Y58-V69 CarbonylContact O-C 3.58Å; Y58-V69 WeakPolarHBondContact O-CA 3.18Å; K67-V69 HydrophobicContact CD-CG2 4.38Å; K67-V69 HydrophobicContact CG-CG2 4.26Å
70V85.1Confident72Confident3 Ų348.9 Ų48.92%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-116.1120.1179.8-169.40000109.2I5 I25 L29 E57 Y58 L68I5-V70 HydrophobicContact CB-CB 4.38Å; I5-V70 HydrophobicContact CB-CG1 4.03Å; I5-V70 HydrophobicContact CB-CG2 4.1Å; I5-V70 HydrophobicContact CD1-CG2 4.15Å; I5-V70 HydrophobicContact CG2-CG1 4.07Å; I5-V70 CarbonylContact O-C 3.4Å; I5-V70 VanDerWaalsContact O-CA 3.3Å; I5-V70 WeakPolarHBondContact O-CA 3.34Å; I25-V70 HydrophobicContact CD1-CG1 4.39Å; I25-V70 HydrophobicContact CG1-CG1 4.41Å; I25-V70 HydrophobicContact CG2-CB 4.24Å; I25-V70 HydrophobicContact CG2-CG1 3.66Å; L29-V70 HydrophobicContact CD1-CG2 4.17Å; E57-V70 CarbonylContact C-O 3.54Å; E57-V70 VanDerWaalsContact CA-O 3.31Å; E57-V70 WeakPolarHBondContact CA-O 3.33Å; Y58-V70 HydrophobicContact CD2-CB 4.41Å; Y58-V70 PolarHBondContact N-O 3.34Å; Y58-V70 PolarHBondContact O-N 3.36Å; L68-V70 HydrophobicContact CD2-CG2 3.59Å; L68-V70 HydrophobicContact CG-CG2 3.82Å
71H85.4Confident70.8Confident21 Ų2152.5 Ų52.510%0.09731%0.306CS..EExtended strand (participates in β ladder)trans-98113.4171.3-58.6-90.1000108.5I5 V6 A7 F55 E57 L89I5-H71 PolarHBondContact O-N 3.47Å; V6-H71 CarbonylContact C-O 3.51Å; V6-H71 WeakPolarHBondContact CA-O 3.33Å; A7-H71 PolarHBondContact N-O 2.99Å; F55-H71 AromaticContact CE2-ND1 3.89Å; E57-H71 IonicContact OE2-CE1 3.27Å; E57-H71 PolarHBondContact OE2-CE1 2.83Å; E57-H71 IonicContact OE2-ND1 3.56Å; E57-H71 IonicContact OE2-NE2 3.94Å; H71-L89 HydrophobicContact CB-CD1 4.26Å; H71-L89 HydrophobicContact CB-CD2 4.24Å
72D82.6Confident69.9Low11 Ų1151.4 Ų51.46%0.05929%0.293CS..EExtended strand (participates in β ladder)trans-103.1114.9-179.5-167.79.2000110.6A7 F55 T56 Y58 P74 K99A7-D72 HydrophobicContact CB-CB 4.46Å; F55-D72 CarbonylContact C-O 3.52Å; F55-D72 WeakPolarHBondContact CA-O 3.46Å; F55-D72 WeakPolarHBondContact CB-O 3.47Å; T56-D72 PolarHBondContact N-O 3.38Å; T56-D72 PolarHBondContact O-N 3.04Å; Y58-D72 HydrophobicContact CD2-CB 4.27Å; Y58-D72 HydrophobicContact CE2-CB 3.68Å; D72-P74 WeakPolarHBondContact O-CD 3.29Å; D72-K99 VanDerWaalsContact CG-NZ 3.32Å; D72-K99 VanDerWaalsContact OD1-CE 3.22Å; D72-K99 WeakPolarHBondContact OD1-CE 3.49Å; D72-K99 IonicContact OD1-NZ 2.66Å; D72-K99 PolarHBondContact OD1-NZ 3.31Å; D72-K99 IonicContact OD2-NZ 2.74Å; D72-K99 PolarHBondContact OD2-NZ 3.39Å; D72-K99 VanDerWaalsContact OD2-NZ 3.09Å
73C79.6Confident69.3Low1 Ų156.2 Ų56.21%0.00731%0.307CS..EExtended strand (participates in β ladder)trans-120.193.3-171.7-61.60000109.6A7 L8 G9 F55 I78A7-C73 PolarHBondContact O-N 3.33Å; L8-C73 WeakPolarHBondContact CA-O 3.42Å; L8-C73 HydrophobicContact CD2-CB 3.96Å; G9-C73 PolarHBondContact N-O 2.83Å; F55-C73 VanDerWaalsContact CB-SG 3.58Å; C73-I78 HydrophobicContact CB-CD1 3.64Å
74P70.1Confident68.5Low43 Ų4359 Ų5928%0.27932%0.315SS..  trans-81.7-17.9-170.429.1-33.9000115.4G9 D72G9-P74 WeakPolarHBondContact O-CA 3.23Å; D72-P74 WeakPolarHBondContact O-CD 3.29Å
75V67.8Low68.2Low63 Ų6359.6 Ų59.638%0.38231%0.307SS..  trans-132.2143.1-172.4-172.60000110.6D77 I78 Y115V75-D77 VanDerWaalsContact C-N 3.32Å; V75-D77 HydrophobicContact CG1-CB 4.26Å; V75-D77 PolarHBondContact O-N 2.99Å; V75-I78 WeakPolarHBondContact O-CD1 3.4Å; V75-I78 VanDerWaalsContact O-CG1 3.27Å; V75-I78 WeakPolarHBondContact O-CG1 3.38Å; V75-Y115 PolarHBondContact O-OH 2.94Å
76W65.2Low67.8Low29 Ų2952.7 Ų52.711%0.1127%0.271CS..THydrogen-bonded Turntrans-67.1-25.5-177.3-177.6-103.9000114.8I78 F79 E110 N114 Y115 V118W76-I78 PolarHBondContact O-N 3.03Å; W76-F79 HydrophobicContact CD2-CB 4.09Å; W76-F79 HydrophobicContact CD2-CD2 4.06Å; W76-F79 HydrophobicContact CD2-CG 4.33Å; W76-F79 HydrophobicContact CE3-CB 4.21Å; W76-F79 AromaticContact CE3-CD2 3.5Å; W76-F79 HydrophobicContact CE3-CD2 3.5Å; W76-F79 HydrophobicContact CE3-CE2 4.14Å; W76-F79 AromaticContact CE3-CG 3.95Å; W76-F79 HydrophobicContact CE3-CG 3.95Å; W76-F79 HydrophobicContact CH2-CB 4.03Å; W76-F79 HydrophobicContact CH2-CD1 4.37Å; W76-F79 HydrophobicContact CH2-CD2 4.34Å; W76-F79 AromaticContact CH2-CG 3.99Å; W76-F79 HydrophobicContact CH2-CG 3.99Å; W76-F79 HydrophobicContact CZ2-CB 3.86Å; W76-F79 HydrophobicContact CZ2-CG 4.33Å; W76-F79 HydrophobicContact CZ3-CB 4.17Å; W76-F79 HydrophobicContact CZ3-CD1 4.27Å; W76-F79 AromaticContact CZ3-CD2 3.64Å; W76-F79 HydrophobicContact CZ3-CD2 3.64Å; W76-F79 HydrophobicContact CZ3-CE2 4.13Å; W76-F79 AromaticContact CZ3-CG 3.75Å; W76-F79 HydrophobicContact CZ3-CG 3.75Å; W76-F79 WeakPolarHBondContact O-CB 3.28Å; W76-F79 PolarHBondContact O-N 2.99Å; W76-E110 HydrophobicContact CB-CG 4.25Å; W76-E110 WeakPolarHBondContact CB-OE1 3.34Å; W76-E110 PolarHBondContact N-OE1 3.11Å; W76-N114 HydrophobicContact CD2-CB 3.52Å; W76-N114 HydrophobicContact CE3-CB 3.85Å; W76-N114 HydrophobicContact CG-CB 3.96Å; W76-N114 VanDerWaalsContact CH2-C 3.41Å; W76-N114 HydrophobicContact CH2-CB 4.15Å; W76-N114 WeakPolarHBondContact CH2-O 3.35Å; W76-N114 HydrophobicContact CZ2-CB 3.87Å; W76-N114 HydrophobicContact CZ3-CB 4.18Å; W76-Y115 WeakPolarHBondContact CA-OH 3.29Å; W76-Y115 HydrophobicContact CB-CE2 4.14Å; W76-Y115 HydrophobicContact CD2-CE2 4.38Å; W76-Y115 AromaticContact CE3-CD1 3.52Å; W76-Y115 HydrophobicContact CE3-CD1 3.52Å; W76-Y115 AromaticContact CE3-CD2 3.56Å; W76-Y115 HydrophobicContact CE3-CD2 3.56Å; W76-Y115 AromaticContact CE3-CE1 3.51Å; W76-Y115 HydrophobicContact CE3-CE1 3.51Å; W76-Y115 AromaticContact CE3-CE2 3.58Å; W76-Y115 HydrophobicContact CE3-CE2 3.58Å; W76-Y115 AromaticContact CE3-CG 3.58Å; W76-Y115 HydrophobicContact CE3-CG 3.58Å; W76-Y115 AromaticContact CE3-CZ 3.56Å; W76-Y115 VanDerWaalsContact CZ3-CA 3.48Å; W76-Y115 AromaticContact CZ3-CD1 3.41Å; W76-Y115 HydrophobicContact CZ3-CD1 3.41Å; W76-Y115 VanDerWaalsContact CZ3-CD1 3.41Å; W76-Y115 AromaticContact CZ3-CD2 3.94Å; W76-Y115 HydrophobicContact CZ3-CD2 3.94Å; W76-Y115 AromaticContact CZ3-CE1 3.86Å; W76-Y115 HydrophobicContact CZ3-CE1 3.86Å; W76-Y115 HydrophobicContact CZ3-CE2 4.36Å; W76-Y115 AromaticContact CZ3-CG 3.49Å; W76-Y115 HydrophobicContact CZ3-CG 3.49Å; W76-Y115 VanDerWaalsContact CZ3-CG 3.49Å; W76-Y115 PolarHBondContact N-OH 2.95Å; W76-Y115 VanDerWaalsContact N-OH 3.1Å; W76-V118 HydrophobicContact CH2-CB 4.17Å; W76-V118 HydrophobicContact CH2-CG2 3.63Å; W76-V118 HydrophobicContact CZ2-CG2 4.2Å
77D60.9Low67.2Low110 Ų11058.2 Ų58.259%0.58829%0.29SS*.Hα-helixtrans-54.5-18.2-173.6-60.3-16.3000114.7V75 F79 S81V75-D77 VanDerWaalsContact C-N 3.32Å; V75-D77 HydrophobicContact CG1-CB 4.26Å; V75-D77 PolarHBondContact O-N 2.99Å; D77-F79 VanDerWaalsContact C-N 3.3Å; D77-F79 PolarHBondContact O-N 3.31Å; D77-S81 PolarHBondContact O-OG 3.29Å
78I55.7Low66.4Low24 Ų2459.2 Ų59.212%0.12330%0.3CS..Hα-helixtrans-61.2-36.8172.6-47165.6000111.7V54 C73 V75 W76V54-I78 HydrophobicContact CG1-CB 3.97Å; V54-I78 HydrophobicContact CG1-CD1 4.41Å; V54-I78 HydrophobicContact CG1-CG1 3.6Å; V54-I78 HydrophobicContact CG1-CG2 3.59Å; V54-I78 WeakPolarHBondContact O-CD1 3.41Å; V54-I78 VanDerWaalsContact O-CG1 3.3Å; V54-I78 WeakPolarHBondContact O-CG1 3.07Å; C73-I78 HydrophobicContact CB-CD1 3.64Å; V75-I78 WeakPolarHBondContact O-CD1 3.4Å; V75-I78 VanDerWaalsContact O-CG1 3.27Å; V75-I78 WeakPolarHBondContact O-CG1 3.38Å; W76-I78 PolarHBondContact O-N 3.03Å
79F57.2Low65.8Low14 Ų1461.2 Ų61.26%0.06131%0.31CS..Hα-helixtrans-82.9-24-173-69.2-87.2000113.4L8 W76 D77 S86 I90 Y115L8-F79 HydrophobicContact CD2-CE2 4.22Å; L8-F79 HydrophobicContact CD2-CZ 3.91Å; W76-F79 HydrophobicContact CD2-CB 4.09Å; W76-F79 HydrophobicContact CD2-CD2 4.06Å; W76-F79 HydrophobicContact CD2-CG 4.33Å; W76-F79 HydrophobicContact CE3-CB 4.21Å; W76-F79 AromaticContact CE3-CD2 3.5Å; W76-F79 HydrophobicContact CE3-CD2 3.5Å; W76-F79 HydrophobicContact CE3-CE2 4.14Å; W76-F79 AromaticContact CE3-CG 3.95Å; W76-F79 HydrophobicContact CE3-CG 3.95Å; W76-F79 HydrophobicContact CH2-CB 4.03Å; W76-F79 HydrophobicContact CH2-CD1 4.37Å; W76-F79 HydrophobicContact CH2-CD2 4.34Å; W76-F79 AromaticContact CH2-CG 3.99Å; W76-F79 HydrophobicContact CH2-CG 3.99Å; W76-F79 HydrophobicContact CZ2-CB 3.86Å; W76-F79 HydrophobicContact CZ2-CG 4.33Å; W76-F79 HydrophobicContact CZ3-CB 4.17Å; W76-F79 HydrophobicContact CZ3-CD1 4.27Å; W76-F79 AromaticContact CZ3-CD2 3.64Å; W76-F79 HydrophobicContact CZ3-CD2 3.64Å; W76-F79 HydrophobicContact CZ3-CE2 4.13Å; W76-F79 AromaticContact CZ3-CG 3.75Å; W76-F79 HydrophobicContact CZ3-CG 3.75Å; W76-F79 WeakPolarHBondContact O-CB 3.28Å; W76-F79 PolarHBondContact O-N 2.99Å; D77-F79 VanDerWaalsContact C-N 3.3Å; D77-F79 PolarHBondContact O-N 3.31Å; F79-S86 WeakPolarHBondContact CD1-OG 3.41Å; F79-S86 VanDerWaalsContact CE1-CB 3.49Å; F79-I90 HydrophobicContact CE1-CD1 3.59Å; F79-I90 HydrophobicContact CE1-CG1 4.38Å; F79-I90 HydrophobicContact CZ-CD1 4.07Å; F79-Y115 HydrophobicContact CD2-CE1 4.26Å; F79-Y115 HydrophobicContact CE2-CD1 4.22Å; F79-Y115 AromaticContact CE2-CE1 3.69Å; F79-Y115 HydrophobicContact CE2-CE1 3.69Å; F79-Y115 HydrophobicContact CZ-CE1 4.45Å
80D53.7Low65.2Low125 Ų12560.9 Ų60.967%0.66831%0.308SS*.Hα-helixtrans-81.9-26176.7-77.3-16.1000112.4
81S51.2Low64.6Low104 Ų10463.5 Ų63.573%0.72734%0.335SS*.Hα-helixtrans-83.2-34.4-176.5-54.10000113.3D77D77-S81 PolarHBondContact O-OG 3.29Å
82D55.4Low64Low74 Ų7464.6 Ų64.640%0.39635%0.353SS..  trans-153.774.3-175.1-149.412.5000112.7Y84 T85 S86D82-Y84 VanDerWaalsContact C-N 3.26Å; D82-Y84 PolarHBondContact O-N 2.99Å; D82-T85 PolarHBondContact O-N 2.77Å; D82-T85 PolarHBondContact OD2-OG1 3.3Å; D82-S86 PolarHBondContact O-N 2.92Å; D82-S86 PolarHBondContact O-OG 3.37Å
83W53.9Low64.2Low121 Ų12164.4 Ų64.446%0.45835%0.352SS..Hα-helixtrans-58.1-33.5-171.5112.7-89.6000113.9R87W83-R87 HydrophobicContact CE3-CB 4.19Å; W83-R87 HydrophobicContact CZ3-CB 4.1Å; W83-R87 VanDerWaalsContact CZ3-CD 3.49Å; W83-R87 HydrophobicContact CZ3-CG 4.28Å; W83-R87 WeakPolarHBondContact O-CB 3.31Å; W83-R87 PolarHBondContact O-N 3.43Å
84Y52Low64.5Low155 Ų15565.8 Ų65.861%0.60836%0.36SS*.Hα-helixtrans-69.6-43.3-177.5-78.8-76.8000111.7D82 S86 R87 N88D82-Y84 VanDerWaalsContact C-N 3.26Å; D82-Y84 PolarHBondContact O-N 2.99Å; Y84-S86 VanDerWaalsContact C-N 3.32Å; Y84-R87 PolarHBondContact O-N 3.2Å; Y84-N88 VanDerWaalsContact O-CG 3.29Å; Y84-N88 PolarHBondContact O-N 2.94Å; Y84-N88 VanDerWaalsContact O-N 3.07Å; Y84-N88 PolarHBondContact O-ND2 3.45Å
85T59.4Low65.5Low74 Ų7463.7 Ų63.745%0.45435%0.346SS..Hα-helixtrans-63.6-42177.1-51.20000110.5D82 N88 L89D82-T85 PolarHBondContact O-N 2.77Å; D82-T85 PolarHBondContact OD2-OG1 3.3Å; T85-N88 PolarHBondContact O-N 2.88Å; T85-L89 PolarHBondContact O-N 3.26Å
86S60.7Low66.6Low8 Ų860.7 Ų60.76%0.05633%0.328CS..Hα-helixtrans-65.4-41.6177.2-69.30000114.2F79 D82 Y84 L89 I90F79-S86 WeakPolarHBondContact CD1-OG 3.41Å; F79-S86 VanDerWaalsContact CE1-CB 3.49Å; D82-S86 PolarHBondContact O-N 2.92Å; D82-S86 PolarHBondContact O-OG 3.37Å; Y84-S86 VanDerWaalsContact C-N 3.32Å; S86-L89 PolarHBondContact O-N 3.46Å; S86-I90 PolarHBondContact O-N 3.33Å; S86-I90 VanDerWaalsContact O-N 3.11Å
87R64.3Low67.8Low134 Ų13459.3 Ų59.351%0.50632%0.323SS..Hα-helixtrans-65.7-38.5174.3-179.8176.1178.4-177.72.8112W83 Y84 L89 G91W83-R87 HydrophobicContact CE3-CB 4.19Å; W83-R87 HydrophobicContact CZ3-CB 4.1Å; W83-R87 VanDerWaalsContact CZ3-CD 3.49Å; W83-R87 HydrophobicContact CZ3-CG 4.28Å; W83-R87 WeakPolarHBondContact O-CB 3.31Å; W83-R87 PolarHBondContact O-N 3.43Å; Y84-R87 PolarHBondContact O-N 3.2Å; R87-L89 VanDerWaalsContact C-N 3.33Å; R87-G91 PolarHBondContact O-N 3.33Å
88N65.4Low69.2Low118 Ų11854.1 Ų54.163%0.63130%0.295SS*.Hα-helixtrans-66.6-37176.6-72.9-20.7000111.7Y84 T85 G91 G92Y84-N88 VanDerWaalsContact O-CG 3.29Å; Y84-N88 PolarHBondContact O-N 2.94Å; Y84-N88 VanDerWaalsContact O-N 3.07Å; Y84-N88 PolarHBondContact O-ND2 3.45Å; T85-N88 PolarHBondContact O-N 2.88Å; N88-G91 PolarHBondContact O-N 3.47Å; N88-G92 PolarHBondContact O-N 3.29Å
89L70.4Confident70.9Confident45 Ų4553 Ų5324%0.23629%0.29CS..Hα-helixtrans-64.7-49.3176.7-167.972000112V6 H71 T85 S86 R87 G92 A93V6-L89 HydrophobicContact CG1-CD2 4.37Å; V6-L89 HydrophobicContact CG2-CG 4.02Å; H71-L89 HydrophobicContact CB-CD1 4.26Å; H71-L89 HydrophobicContact CB-CD2 4.24Å; T85-L89 PolarHBondContact O-N 3.26Å; S86-L89 PolarHBondContact O-N 3.46Å; R87-L89 VanDerWaalsContact C-N 3.33Å; L89-G92 PolarHBondContact O-N 2.87Å; L89-A93 PolarHBondContact O-N 2.95Å
90I73.4Confident72.4Confident2 Ų252.4 Ų52.41%0.0129%0.287CS..Hα-helixtrans-66.8-38.8176.9-65175.1000110.9F79 S86 G92 A93 I96 V118 A122F79-I90 HydrophobicContact CE1-CD1 3.59Å; F79-I90 HydrophobicContact CE1-CG1 4.38Å; F79-I90 HydrophobicContact CZ-CD1 4.07Å; S86-I90 PolarHBondContact O-N 3.33Å; S86-I90 VanDerWaalsContact O-N 3.11Å; I90-G92 VanDerWaalsContact C-N 3.27Å; I90-G92 PolarHBondContact O-N 3.3Å; I90-A93 WeakPolarHBondContact O-CB 3.45Å; I90-A93 PolarHBondContact O-N 2.85Å; I90-I96 HydrophobicContact CG2-CD1 3.94Å; I90-V118 HydrophobicContact CD1-CG1 3.93Å; I90-A122 HydrophobicContact CG2-CB 3.72Å
91G71.2Confident73.9Confident57 Ų5746.9 Ų46.959%0.58826%0.257SS*.Hα-helixtrans-68.7-22.9178.100000114.2R87 N88R87-G91 PolarHBondContact O-N 3.33Å; N88-G91 PolarHBondContact O-N 3.47Å
92G74.2Confident75.6Confident45 Ų4542 Ų4246%0.46422%0.223SC..THydrogen-bonded Turntrans-93.4-0.7175.300000114.6N88 L89 I90N88-G92 PolarHBondContact O-N 3.29Å; L89-G92 PolarHBondContact O-N 2.87Å; I90-G92 VanDerWaalsContact C-N 3.27Å; I90-G92 PolarHBondContact O-N 3.3Å
93A85.6Confident76.9Confident6 Ų639.8 Ų39.85%0.0521%0.211CC..  trans-76.4135.4-177.200000111.8V6 L89 I90 I96 V126V6-A93 HydrophobicContact CB-CB 4.21Å; V6-A93 HydrophobicContact CG2-CB 3.65Å; L89-A93 PolarHBondContact O-N 2.95Å; I90-A93 WeakPolarHBondContact O-CB 3.45Å; I90-A93 PolarHBondContact O-N 2.85Å; A93-I96 HydrophobicContact CB-CG1 3.97Å; A93-V126 WeakPolarHBondContact O-CG1 3.37Å
94D87.2Confident78.3Confident30 Ų3036.2 Ų36.216%0.1620%0.201CC..SBendtrans-87.9-26.9170.9-61-59000112.2I3 H4 P127 A198 K202I3-D94 WeakPolarHBondContact CA-OD2 3.46Å; I3-D94 HydrophobicContact CG2-CB 4.02Å; H4-D94 IonicContact CD2-OD2 2.96Å; H4-D94 PolarHBondContact N-OD2 2.86Å; H4-D94 WeakPolarHBondContact O-CB 3.38Å; H4-D94 PolarHBondContact O-N 3.04Å; D94-P127 WeakPolarHBondContact O-CD 3.45Å; D94-P127 WeakPolarHBondContact O-CG 3.29Å; D94-A198 HydrophobicContact CB-CB 4.19Å; D94-K202 VanDerWaalsContact CG-CE 3.42Å; D94-K202 WeakPolarHBondContact OD1-CE 3.31Å; D94-K202 IonicContact OD1-NZ 3.98Å; D94-K202 PolarHBondContact OD1-NZ 2.8Å; D94-K202 WeakPolarHBondContact OD2-CE 3.47Å; D94-K202 IonicContact OD2-NZ 3.42Å; D94-K202 PolarHBondContact OD2-NZ 3.3Å
95I90.3Very high79.7Confident0 Ų031.9 Ų31.90%019%0.185CC..EExtended strand (participates in β ladder)trans-146.4136.8178.3-51.4172.7000107.8I3 H4 I5 V6 V97 P127 I129 L191 F194 M195I3-I95 HydrophobicContact CG2-CD1 4.3Å; H4-I95 PolarHBondContact O-N 2.94Å; I5-I95 WeakPolarHBondContact CA-O 3.35Å; I5-I95 HydrophobicContact CG1-CB 4.3Å; I5-I95 HydrophobicContact CG1-CD1 4.41Å; V6-I95 PolarHBondContact N-O 2.89Å; I95-V97 HydrophobicContact CG2-CG2 4.49Å; I95-P127 HydrophobicContact CG1-CG 4.22Å; I95-I129 HydrophobicContact CG2-CD1 4.1Å; I95-L191 HydrophobicContact CD1-CD1 4.04Å; I95-L191 HydrophobicContact CG2-CD1 4.09Å; I95-F194 HydrophobicContact CD1-CB 3.77Å; I95-F194 HydrophobicContact CG1-CB 4.23Å; I95-M195 HydrophobicContact CD1-CB 4.38Å; I95-M195 HydrophobicContact CD1-CG 3.65Å
96I90.5Very high80.6Confident0 Ų035.5 Ų35.50%020%0.195CC..EExtended strand (participates in β ladder)trans-111.2129.4172.7-62.1170.5000108.9V6 L8 I90 A93 I98 I119 L123 V126 P127 V128 I129V6-I96 CarbonylContact O-C 3.53Å; V6-I96 WeakPolarHBondContact O-CA 3.29Å; L8-I96 HydrophobicContact CD1-CG2 3.87Å; I90-I96 HydrophobicContact CG2-CD1 3.94Å; A93-I96 HydrophobicContact CB-CG1 3.97Å; I96-I98 HydrophobicContact CG2-CG1 4.24Å; I96-I119 HydrophobicContact CD1-CG2 4.39Å; I96-I119 HydrophobicContact CG2-CD1 4.39Å; I96-L123 HydrophobicContact CD1-CD1 4.12Å; I96-L123 HydrophobicContact CD1-CD2 3.93Å; I96-L123 HydrophobicContact CD1-CG 4.36Å; I96-V126 HydrophobicContact CD1-CG1 4.35Å; I96-V126 HydrophobicContact CG1-CG1 4.19Å; I96-P127 PolarHBondContact N-O 3.35Å; I96-V128 HydrophobicContact CB-CG2 4.31Å; I96-V128 HydrophobicContact CG2-CG1 4.42Å; I96-V128 CarbonylContact O-C 3.56Å; I96-V128 VanDerWaalsContact O-CA 3.32Å; I96-V128 WeakPolarHBondContact O-CA 3.18Å; I96-I129 PolarHBondContact O-N 3.03Å
97V91.3Very high81.4Confident0 Ų035.3 Ų35.30%019%0.194CC..EExtended strand (participates in β ladder)trans-112125.4174.2-179.40000108.1I5 V6 A7 L8 I95 I129 F187 L191I5-V97 HydrophobicContact CG2-CG2 3.94Å; V6-V97 PolarHBondContact O-N 2.87Å; A7-V97 CarbonylContact C-O 3.58Å; A7-V97 VanDerWaalsContact CA-O 3.23Å; A7-V97 WeakPolarHBondContact CA-O 3.26Å; A7-V97 HydrophobicContact CB-CB 4.26Å; L8-V97 PolarHBondContact N-O 2.92Å; I95-V97 HydrophobicContact CG2-CG2 4.49Å; V97-I129 CarbonylContact C-O 3.54Å; V97-I129 WeakPolarHBondContact CA-O 3.41Å; V97-I129 HydrophobicContact CG2-CB 4.46Å; V97-I129 HydrophobicContact CG2-CD1 4.38Å; V97-F187 HydrophobicContact CG1-CE2 3.95Å; V97-F187 HydrophobicContact CG1-CZ 4.09Å; V97-F187 HydrophobicContact CG2-CZ 4.38Å; V97-L191 HydrophobicContact CG2-CD1 4.36Å
98I90.8Very high82.4Confident0 Ų029.1 Ų29.10%017%0.171CC..EExtended strand (participates in β ladder)trans-109.6128.2174.5-62.4178.1000107.1L8 I96 V111 I119 V128 I129 I130 A131 L168L8-I98 CarbonylContact O-C 3.57Å; L8-I98 WeakPolarHBondContact O-CA 3.37Å; I96-I98 HydrophobicContact CG2-CG1 4.24Å; I98-V111 HydrophobicContact CG2-CB 4.29Å; I98-V111 HydrophobicContact CG2-CG1 3.27Å; I98-V111 HydrophobicContact CG2-CG2 3.96Å; I98-I119 HydrophobicContact CD1-CD1 3.69Å; I98-I119 HydrophobicContact CG1-CD1 4.26Å; I98-V128 HydrophobicContact CD1-CG1 3.75Å; I98-V128 HydrophobicContact CG1-CG1 4.11Å; I98-I129 PolarHBondContact N-O 2.89Å; I98-I130 HydrophobicContact CB-CG1 4.25Å; I98-I130 HydrophobicContact CD1-CG1 4.44Å; I98-I130 CarbonylContact O-C 3.36Å; I98-I130 WeakPolarHBondContact O-CA 3.3Å; I98-A131 PolarHBondContact O-N 3.43Å; I98-L168 HydrophobicContact CD1-CD1 3.64Å
99K90.2Very high83.2Confident2 Ų226.9 Ų26.91%0.00916%0.156CC..EExtended strand (participates in β ladder)trans-128.6137-177.859.7-170.5-176.1162.40111L8 G9 N10 E11 L24 D72 A131L8-K99 PolarHBondContact O-N 2.69Å; G9-K99 CarbonylContact C-O 3.55Å; G9-K99 WeakPolarHBondContact CA-O 3.49Å; G9-K99 WeakPolarHBondContact O-CE 3.42Å; G9-K99 WeakPolarHBondContact O-CG 3.38Å; N10-K99 PolarHBondContact N-O 3.49Å; E11-K99 VanDerWaalsContact CD-NZ 3.35Å; E11-K99 IonicContact OE1-NZ 3.61Å; E11-K99 PolarHBondContact OE1-NZ 2.92Å; E11-K99 WeakPolarHBondContact OE2-CD 3.37Å; E11-K99 WeakPolarHBondContact OE2-CE 3.43Å; E11-K99 IonicContact OE2-NZ 3.66Å; E11-K99 PolarHBondContact OE2-NZ 3.12Å; L24-K99 HydrophobicContact CB-CD 4.5Å; L24-K99 HydrophobicContact CD2-CB 4.37Å; D72-K99 VanDerWaalsContact CG-NZ 3.32Å; D72-K99 VanDerWaalsContact OD1-CE 3.22Å; D72-K99 WeakPolarHBondContact OD1-CE 3.49Å; D72-K99 IonicContact OD1-NZ 2.66Å; D72-K99 PolarHBondContact OD1-NZ 3.31Å; D72-K99 IonicContact OD2-NZ 2.74Å; D72-K99 PolarHBondContact OD2-NZ 3.39Å; D72-K99 VanDerWaalsContact OD2-NZ 3.09Å; K99-A131 WeakPolarHBondContact CA-O 3.4Å
100Y89.2Confident83.5Confident0 Ų026.1 Ų26.10%015%0.151CC..EExtended strand (participates in β ladder)trans-146.6154.2175.572.2-90.5000110.9N10 V102 F108 I130 A131 A132 V133 V156 G161 Y172N10-Y100 WeakPolarHBondContact O-CA 3.12Å; Y100-V102 HydrophobicContact CE2-CG1 4.47Å; Y100-F108 HydrophobicContact CD1-CD2 4.29Å; Y100-F108 HydrophobicContact CD2-CB 4.03Å; Y100-F108 HydrophobicContact CD2-CD2 4.01Å; Y100-F108 HydrophobicContact CE1-CD2 4.04Å; Y100-F108 HydrophobicContact CE1-CE2 4.45Å; Y100-F108 HydrophobicContact CE2-CB 4.43Å; Y100-F108 AromaticContact CE2-CD2 3.76Å; Y100-F108 HydrophobicContact CE2-CD2 3.76Å; Y100-F108 HydrophobicContact CE2-CG 4.49Å; Y100-F108 HydrophobicContact CG-CB 4.45Å; Y100-F108 HydrophobicContact CG-CD2 4.28Å; Y100-F108 AromaticContact CZ-CD2 3.77Å; Y100-I130 HydrophobicContact CD1-CG2 4.14Å; Y100-I130 HydrophobicContact CE1-CG2 3.7Å; Y100-A131 PolarHBondContact N-O 2.76Å; Y100-A132 HydrophobicContact CE1-CB 3.84Å; Y100-A132 HydrophobicContact CE2-CB 3.99Å; Y100-A132 VanDerWaalsContact CZ-CB 3.47Å; Y100-A132 WeakPolarHBondContact OH-CB 3.42Å; Y100-V133 PolarHBondContact O-N 2.75Å; Y100-V156 HydrophobicContact CD2-CG2 4.44Å; Y100-V156 HydrophobicContact CE2-CB 3.97Å; Y100-V156 HydrophobicContact CE2-CG1 3.81Å; Y100-V156 HydrophobicContact CE2-CG2 4.15Å; Y100-G161 WeakPolarHBondContact OH-CA 3.26Å; Y100-Y172 HydrophobicContact CE1-CE2 4.39Å; Y100-Y172 PolarHBondContact OH-OH 3.39Å
101N86.3Confident83.7Confident10 Ų1026 Ų265%0.05315%0.151CC..EExtended strand (participates in β ladder)trans-85.2127.5175.4179-12.2000110.1N10 N103 D104 S107 V133N10-N101 PolarHBondContact O-N 3.27Å; N101-N103 PolarHBondContact O-N 3.15Å; N101-N103 VanDerWaalsContact O-N 3.15Å; N101-N103 PolarHBondContact OD1-N 3.15Å; N101-D104 HydrophobicContact CB-CB 4.02Å; N101-D104 PolarHBondContact O-N 3.43Å; N101-S107 PolarHBondContact N-OG 3.31Å; N101-V133 CarbonylContact C-O 3.58Å; N101-V133 WeakPolarHBondContact CA-O 3.41Å; N101-V133 PolarHBondContact OD1-O 2.74Å
102V85.8Confident84.3Confident1 Ų126.9 Ų26.91%0.00614%0.138CC..THydrogen-bonded Turntrans-62.8-21-179.1-62.10000113.3Y100 A132 V133 G134 R136 C155 V156Y100-V102 HydrophobicContact CE2-CG1 4.47Å; V102-A132 HydrophobicContact CG1-CB 3.79Å; V102-V133 PolarHBondContact N-O 3.22Å; V102-G134 VanDerWaalsContact CG2-C 3.42Å; V102-G134 VanDerWaalsContact CG2-O 3.26Å; V102-G134 WeakPolarHBondContact CG2-O 3.32Å; V102-R136 HydrophobicContact CB-CG 4.16Å; V102-R136 HydrophobicContact CG2-CG 3.96Å; V102-C155 CarbonylContact O-C 3.45Å; V102-C155 WeakPolarHBondContact O-CA 3.31Å; V102-C155 VanDerWaalsContact O-CB 3.29Å; V102-C155 WeakPolarHBondContact O-CB 3.4Å; V102-V156 PolarHBondContact O-N 3.19Å
103N83.7Confident84.6Confident27 Ų2729 Ų2914%0.14414%0.139CC..THydrogen-bonded Turntrans-96-3177.6-62.4-51.4000113.4N101 T135 R136 Q137 S154N101-N103 PolarHBondContact O-N 3.15Å; N101-N103 VanDerWaalsContact O-N 3.15Å; N101-N103 PolarHBondContact OD1-N 3.15Å; N103-T135 PolarHBondContact ND2-O 3.11Å; N103-T135 PolarHBondContact OD1-O 3.34Å; N103-R136 WeakPolarHBondContact OD1-CA 3.39Å; N103-Q137 PolarHBondContact OD1-N 3.37Å; N103-Q137 VanDerWaalsContact OD1-N 3.11Å; N103-S154 VanDerWaalsContact O-O 3.12Å
104D81.8Confident84.1Confident46 Ų4631.7 Ų31.725%0.24615%0.152CC..  trans-114.392.9177.9-1786.7000110.9N101 F106 S107 F108N101-D104 HydrophobicContact CB-CB 4.02Å; N101-D104 PolarHBondContact O-N 3.43Å; D104-F106 PolarHBondContact O-N 2.86Å; D104-F106 WeakPolarHBondContact OD1-CA 3.42Å; D104-F106 VanDerWaalsContact OD1-CB 3.28Å; D104-F106 WeakPolarHBondContact OD1-CB 3.47Å; D104-F106 PolarHBondContact OD1-N 3.19Å; D104-S107 PolarHBondContact O-N 2.93Å; D104-S107 PolarHBondContact O-OG 3.34Å; D104-S107 PolarHBondContact OD1-N 3.38Å; D104-S107 WeakPolarHBondContact OD2-CB 3.49Å; D104-S107 PolarHBondContact OD2-N 3.34Å; D104-F108 PolarHBondContact O-N 3Å
105K81.9Confident83.4Confident64 Ų6430.3 Ų30.328%0.27815%0.145SC..Hα-helixtrans-62.5-24.3177.1-161.9158.6-169.7138.10113.1H109 S154 V156 E160K105-H109 PolarHBondContact O-CD2 3.21Å; K105-H109 PolarHBondContact O-N 2.79Å; K105-S154 WeakPolarHBondContact CB-O 3.46Å; K105-S154 PolarHBondContact N-O 3.39Å; K105-V156 HydrophobicContact CB-CG2 4.46Å; K105-V156 HydrophobicContact CG-CG2 4.47Å; K105-E160 IonicContact NZ-OE1 2.83Å; K105-E160 PolarHBondContact NZ-OE1 3.16Å; K105-E160 IonicContact NZ-OE2 3.41Å
106F79.6Confident82.7Confident151 Ų15130.8 Ų30.866%0.66215%0.147SC*.Hα-helixtrans-68.8-46.9175.1-178.4-93.5000110.9D104 F108 H109 E110D104-F106 PolarHBondContact O-N 2.86Å; D104-F106 WeakPolarHBondContact OD1-CA 3.42Å; D104-F106 VanDerWaalsContact OD1-CB 3.28Å; D104-F106 WeakPolarHBondContact OD1-CB 3.47Å; D104-F106 PolarHBondContact OD1-N 3.19Å; F106-F108 PolarHBondContact O-N 2.85Å; F106-H109 PolarHBondContact O-N 3.22Å; F106-H109 VanDerWaalsContact O-N 3.1Å; F106-E110 PolarHBondContact O-N 3.1Å
107S76.8Confident82Confident3 Ų333.1 Ų33.12%0.02116%0.163CC..Hα-helixtrans-55.5-38.1174.974.50000112.9N101 D104 V111N101-S107 PolarHBondContact N-OG 3.31Å; D104-S107 PolarHBondContact O-N 2.93Å; D104-S107 PolarHBondContact O-OG 3.34Å; D104-S107 PolarHBondContact OD1-N 3.38Å; D104-S107 WeakPolarHBondContact OD2-CB 3.49Å; D104-S107 PolarHBondContact OD2-N 3.34Å; S107-V111 WeakPolarHBondContact O-CG2 3.47Å; S107-V111 PolarHBondContact O-N 2.93Å
108F85.3Confident81.1Confident5 Ų534.9 Ų34.92%0.02217%0.173CC..Hα-helixtrans-70-41.4176.7175.2-97.8000113.1Y100 D104 F106 V111 K112 V156 E160 L164Y100-F108 HydrophobicContact CD1-CD2 4.29Å; Y100-F108 HydrophobicContact CD2-CB 4.03Å; Y100-F108 HydrophobicContact CD2-CD2 4.01Å; Y100-F108 HydrophobicContact CE1-CD2 4.04Å; Y100-F108 HydrophobicContact CE1-CE2 4.45Å; Y100-F108 HydrophobicContact CE2-CB 4.43Å; Y100-F108 AromaticContact CE2-CD2 3.76Å; Y100-F108 HydrophobicContact CE2-CD2 3.76Å; Y100-F108 HydrophobicContact CE2-CG 4.49Å; Y100-F108 HydrophobicContact CG-CB 4.45Å; Y100-F108 HydrophobicContact CG-CD2 4.28Å; Y100-F108 AromaticContact CZ-CD2 3.77Å; D104-F108 PolarHBondContact O-N 3Å; F106-F108 PolarHBondContact O-N 2.85Å; F108-V111 PolarHBondContact O-N 3.12Å; F108-K112 HydrophobicContact CE1-CD 4.26Å; F108-K112 VanDerWaalsContact O-CB 3.31Å; F108-K112 WeakPolarHBondContact O-CB 3.29Å; F108-K112 PolarHBondContact O-N 3.02Å; F108-V156 HydrophobicContact CB-CG1 4.42Å; F108-V156 HydrophobicContact CB-CG2 3.48Å; F108-V156 VanDerWaalsContact CB-CG2 3.48Å; F108-V156 HydrophobicContact CD1-CG1 4.12Å; F108-V156 HydrophobicContact CD1-CG2 4.19Å; F108-V156 HydrophobicContact CD2-CG1 3.59Å; F108-V156 HydrophobicContact CD2-CG2 4.23Å; F108-V156 HydrophobicContact CE1-CG1 4.26Å; F108-V156 HydrophobicContact CE2-CG1 3.74Å; F108-V156 HydrophobicContact CG-CB 4.43Å; F108-V156 HydrophobicContact CG-CG1 3.78Å; F108-V156 HydrophobicContact CG-CG2 3.72Å; F108-V156 HydrophobicContact CZ-CG1 4.08Å; F108-E160 HydrophobicContact CE1-CB 4.29Å; F108-E160 HydrophobicContact CZ-CB 3.92Å; F108-L164 HydrophobicContact CD2-CD2 4.16Å; F108-L164 HydrophobicContact CE2-CB 4.13Å; F108-L164 HydrophobicContact CE2-CD1 4.48Å; F108-L164 HydrophobicContact CE2-CD2 3.64Å; F108-L164 HydrophobicContact CE2-CG 4.31Å; F108-L164 HydrophobicContact CZ-CB 4.33Å; F108-L164 HydrophobicContact CZ-CD1 4.42Å; F108-L164 HydrophobicContact CZ-CD2 4.36Å
109H82.4Confident80.2Confident71 Ų7134.9 Ų34.933%0.32917%0.173SC..Hα-helixtrans-67.6-38.2175.7-82.8-65.4000112.1K105 F106 V111 K112 D113K105-H109 PolarHBondContact O-CD2 3.21Å; K105-H109 PolarHBondContact O-N 2.79Å; F106-H109 PolarHBondContact O-N 3.22Å; F106-H109 VanDerWaalsContact O-N 3.1Å; H109-V111 PolarHBondContact O-N 2.99Å; H109-K112 PolarHBondContact O-N 2.89Å; H109-D113 IonicContact ND1-OD2 2.62Å; H109-D113 PolarHBondContact ND1-OD2 2.69Å; H109-D113 VanDerWaalsContact O-CB 3.31Å; H109-D113 WeakPolarHBondContact O-CB 3.43Å; H109-D113 PolarHBondContact O-N 3.37Å
110E77.1Confident79.5Confident28 Ų2839.9 Ų39.913%0.13120%0.195CC..Hα-helixtrans-58.9-48175-164-171.4177.900110.7W76 F106 N114 Y115W76-E110 HydrophobicContact CB-CG 4.25Å; W76-E110 WeakPolarHBondContact CB-OE1 3.34Å; W76-E110 PolarHBondContact N-OE1 3.11Å; F106-E110 PolarHBondContact O-N 3.1Å; E110-N114 VanDerWaalsContact O-CB 3.23Å; E110-N114 WeakPolarHBondContact O-CB 3.5Å; E110-N114 PolarHBondContact O-N 2.88Å; E110-Y115 HydrophobicContact CG-CE2 4.07Å; E110-Y115 WeakPolarHBondContact O-CD2 3.37Å
111V77.3Confident78.4Confident1 Ų149.8 Ų49.81%0.00623%0.233CC..Iπ-helixtrans-56.6-51.7172.9167.60000111.5I98 S107 F108 H109 Y115 I116 L164I98-V111 HydrophobicContact CG2-CB 4.29Å; I98-V111 HydrophobicContact CG2-CG1 3.27Å; I98-V111 HydrophobicContact CG2-CG2 3.96Å; S107-V111 WeakPolarHBondContact O-CG2 3.47Å; S107-V111 PolarHBondContact O-N 2.93Å; F108-V111 PolarHBondContact O-N 3.12Å; H109-V111 PolarHBondContact O-N 2.99Å; V111-Y115 HydrophobicContact CG2-CD2 4.42Å; V111-Y115 WeakPolarHBondContact O-CB 3.42Å; V111-Y115 PolarHBondContact O-N 3.12Å; V111-I116 WeakPolarHBondContact O-CG1 3.47Å; V111-I116 PolarHBondContact O-N 2.55Å; V111-L164 HydrophobicContact CG1-CD2 4.03Å
112K83.1Confident77.3Confident75 Ų7551 Ų5133%0.32624%0.244SC..Iπ-helixtrans-66.7-44.4-173.6-179-179.7174.9178.10113.1F108 H109 I116 L164F108-K112 HydrophobicContact CE1-CD 4.26Å; F108-K112 VanDerWaalsContact O-CB 3.31Å; F108-K112 WeakPolarHBondContact O-CB 3.29Å; F108-K112 PolarHBondContact O-N 3.02Å; H109-K112 PolarHBondContact O-N 2.89Å; K112-I116 WeakPolarHBondContact O-CB 3.42Å; K112-L164 HydrophobicContact CB-CD1 3.81Å; K112-L164 HydrophobicContact CD-CD1 4.23Å; K112-L164 HydrophobicContact CG-CD1 3.71Å
113D81.6Confident76.1Confident89 Ų8952.4 Ų52.448%0.47625%0.251SS..Iπ-helixtrans-92.1-28.7-168.2-60.8-31.3000111.3H109 P117H109-D113 IonicContact ND1-OD2 2.62Å; H109-D113 PolarHBondContact ND1-OD2 2.69Å; H109-D113 VanDerWaalsContact O-CB 3.31Å; H109-D113 WeakPolarHBondContact O-CB 3.43Å; H109-D113 PolarHBondContact O-N 3.37Å; D113-P117 WeakPolarHBondContact O-CG 3.48Å
114N75.1Confident74.8Confident62 Ų6258.9 Ų58.933%0.33229%0.286SS..Iπ-helixtrans-105.5-52.8-176.2-55.8-34.2000113.3W76 E110 P117W76-N114 HydrophobicContact CD2-CB 3.52Å; W76-N114 HydrophobicContact CE3-CB 3.85Å; W76-N114 HydrophobicContact CG-CB 3.96Å; W76-N114 VanDerWaalsContact CH2-C 3.41Å; W76-N114 HydrophobicContact CH2-CB 4.15Å; W76-N114 WeakPolarHBondContact CH2-O 3.35Å; W76-N114 HydrophobicContact CZ2-CB 3.87Å; W76-N114 HydrophobicContact CZ3-CB 4.18Å; E110-N114 VanDerWaalsContact O-CB 3.23Å; E110-N114 WeakPolarHBondContact O-CB 3.5Å; E110-N114 PolarHBondContact O-N 2.88Å; N114-P117 WeakPolarHBondContact O-CD 3.35Å
115Y72.6Confident74.1Confident2 Ų262 Ų621%0.00831%0.311CS..Iπ-helixtrans-73.8-39.2-174.3-66.2-97.4000112.8L8 V75 W76 F79 E110 V111 V118 I119L8-Y115 HydrophobicContact CB-CD1 3.8Å; L8-Y115 HydrophobicContact CB-CE1 3.8Å; L8-Y115 HydrophobicContact CD1-CD1 3.97Å; L8-Y115 HydrophobicContact CD2-CD1 4.13Å; L8-Y115 HydrophobicContact CD2-CE1 3.95Å; L8-Y115 HydrophobicContact CG-CD1 4.17Å; L8-Y115 HydrophobicContact CG-CE1 4.3Å; V75-Y115 PolarHBondContact O-OH 2.94Å; W76-Y115 WeakPolarHBondContact CA-OH 3.29Å; W76-Y115 HydrophobicContact CB-CE2 4.14Å; W76-Y115 HydrophobicContact CD2-CE2 4.38Å; W76-Y115 AromaticContact CE3-CD1 3.52Å; W76-Y115 HydrophobicContact CE3-CD1 3.52Å; W76-Y115 AromaticContact CE3-CD2 3.56Å; W76-Y115 HydrophobicContact CE3-CD2 3.56Å; W76-Y115 AromaticContact CE3-CE1 3.51Å; W76-Y115 HydrophobicContact CE3-CE1 3.51Å; W76-Y115 AromaticContact CE3-CE2 3.58Å; W76-Y115 HydrophobicContact CE3-CE2 3.58Å; W76-Y115 AromaticContact CE3-CG 3.58Å; W76-Y115 HydrophobicContact CE3-CG 3.58Å; W76-Y115 AromaticContact CE3-CZ 3.56Å; W76-Y115 VanDerWaalsContact CZ3-CA 3.48Å; W76-Y115 AromaticContact CZ3-CD1 3.41Å; W76-Y115 HydrophobicContact CZ3-CD1 3.41Å; W76-Y115 VanDerWaalsContact CZ3-CD1 3.41Å; W76-Y115 AromaticContact CZ3-CD2 3.94Å; W76-Y115 HydrophobicContact CZ3-CD2 3.94Å; W76-Y115 AromaticContact CZ3-CE1 3.86Å; W76-Y115 HydrophobicContact CZ3-CE1 3.86Å; W76-Y115 HydrophobicContact CZ3-CE2 4.36Å; W76-Y115 AromaticContact CZ3-CG 3.49Å; W76-Y115 HydrophobicContact CZ3-CG 3.49Å; W76-Y115 VanDerWaalsContact CZ3-CG 3.49Å; W76-Y115 PolarHBondContact N-OH 2.95Å; W76-Y115 VanDerWaalsContact N-OH 3.1Å; F79-Y115 HydrophobicContact CD2-CE1 4.26Å; F79-Y115 HydrophobicContact CE2-CD1 4.22Å; F79-Y115 AromaticContact CE2-CE1 3.69Å; F79-Y115 HydrophobicContact CE2-CE1 3.69Å; F79-Y115 HydrophobicContact CZ-CE1 4.45Å; E110-Y115 HydrophobicContact CG-CE2 4.07Å; E110-Y115 WeakPolarHBondContact O-CD2 3.37Å; V111-Y115 HydrophobicContact CG2-CD2 4.42Å; V111-Y115 WeakPolarHBondContact O-CB 3.42Å; V111-Y115 PolarHBondContact O-N 3.12Å; Y115-V118 PolarHBondContact O-N 3.48Å; Y115-I119 VanDerWaalsContact O-CG1 3.25Å; Y115-I119 WeakPolarHBondContact O-CG1 3.14Å; Y115-I119 PolarHBondContact O-N 3.39Å
116I75.8Confident74.2Confident9 Ų960.8 Ų60.85%0.04631%0.309CS..Hα-helixtrans-60.5-48.5-176.5-70.7-164.1000114V111 K112 V118 I119 K120 L164 L168V111-I116 WeakPolarHBondContact O-CG1 3.47Å; V111-I116 PolarHBondContact O-N 2.55Å; K112-I116 WeakPolarHBondContact O-CB 3.42Å; I116-V118 PolarHBondContact O-N 3.43Å; I116-I119 PolarHBondContact O-N 3.34Å; I116-K120 HydrophobicContact CG2-CD 3.85Å; I116-K120 HydrophobicContact CG2-CG 4.19Å; I116-K120 WeakPolarHBondContact O-CB 3.42Å; I116-K120 WeakPolarHBondContact O-CG 3.42Å; I116-K120 PolarHBondContact O-N 3.24Å; I116-L164 HydrophobicContact CD1-CD1 3.22Å; I116-L164 HydrophobicContact CD1-CG 3.82Å; I116-L168 HydrophobicContact CB-CD2 4.35Å; I116-L168 HydrophobicContact CD1-CD1 3.72Å; I116-L168 HydrophobicContact CD1-CD2 4.17Å; I116-L168 HydrophobicContact CD1-CG 3.82Å; I116-L168 HydrophobicContact CG1-CD1 3.87Å; I116-L168 HydrophobicContact CG1-CD2 4.04Å; I116-L168 HydrophobicContact CG1-CG 4.16Å; I116-L168 HydrophobicContact CG2-CD2 3.9Å
117P75.1Confident74.5Confident49 Ų4954.8 Ų54.832%0.31829%0.285SS..Hα-helixtrans-57.7-34.3178.7-27.135.4000113.3D113 N114 R121D113-P117 WeakPolarHBondContact O-CG 3.48Å; N114-P117 WeakPolarHBondContact O-CD 3.35Å; P117-R121 WeakPolarHBondContact O-CG 3.21Å; P117-R121 PolarHBondContact O-N 3.3Å
118V71.2Confident75.2Confident37 Ų3754.9 Ų54.922%0.22429%0.286CS..Hα-helixtrans-76.3-45.8179.4176.10000111.2W76 I90 Y115 I116 K120 R121 A122W76-V118 HydrophobicContact CH2-CB 4.17Å; W76-V118 HydrophobicContact CH2-CG2 3.63Å; W76-V118 HydrophobicContact CZ2-CG2 4.2Å; I90-V118 HydrophobicContact CD1-CG1 3.93Å; Y115-V118 PolarHBondContact O-N 3.48Å; I116-V118 PolarHBondContact O-N 3.43Å; V118-K120 VanDerWaalsContact C-N 3.33Å; V118-K120 PolarHBondContact O-N 3.43Å; V118-R121 PolarHBondContact O-N 2.93Å; V118-A122 WeakPolarHBondContact O-CB 3.43Å; V118-A122 PolarHBondContact O-N 3.38Å
119I73.1Confident75.5Confident1 Ų154.7 Ų54.71%0.00529%0.285CS..Hα-helixtrans-59.6-45175.8-65.9169.1000110.1L8 I96 I98 Y115 I116 R121 A122 L123 V128 L168L8-I119 HydrophobicContact CD1-CD1 3.71Å; L8-I119 HydrophobicContact CD1-CG1 4.25Å; I96-I119 HydrophobicContact CD1-CG2 4.39Å; I96-I119 HydrophobicContact CG2-CD1 4.39Å; I98-I119 HydrophobicContact CD1-CD1 3.69Å; I98-I119 HydrophobicContact CG1-CD1 4.26Å; Y115-I119 VanDerWaalsContact O-CG1 3.25Å; Y115-I119 WeakPolarHBondContact O-CG1 3.14Å; Y115-I119 PolarHBondContact O-N 3.39Å; I116-I119 PolarHBondContact O-N 3.34Å; I119-R121 VanDerWaalsContact C-N 3.32Å; I119-R121 PolarHBondContact O-N 3.49Å; I119-A122 PolarHBondContact O-N 3.17Å; I119-L123 HydrophobicContact CG2-CD1 3.34Å; I119-L123 HydrophobicContact CG2-CG 3.92Å; I119-L123 VanDerWaalsContact O-CB 3.32Å; I119-L123 WeakPolarHBondContact O-CB 3.36Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 2.92Å; I119-V128 HydrophobicContact CG2-CG2 4.48Å; I119-L168 HydrophobicContact CG2-CD2 4.43Å
120K74.4Confident75.9Confident106 Ų10651.3 Ų51.346%0.46127%0.269SS..Hα-helixtrans-62.4-33.8177-77.1-174.7174.2-1790113.8I116 V118 E167 L168I116-K120 HydrophobicContact CG2-CD 3.85Å; I116-K120 HydrophobicContact CG2-CG 4.19Å; I116-K120 WeakPolarHBondContact O-CB 3.42Å; I116-K120 WeakPolarHBondContact O-CG 3.42Å; I116-K120 PolarHBondContact O-N 3.24Å; V118-K120 VanDerWaalsContact C-N 3.33Å; V118-K120 PolarHBondContact O-N 3.43Å; K120-E167 WeakPolarHBondContact CE-O 3.41Å; K120-E167 PolarHBondContact NZ-O 3.45Å; K120-L168 HydrophobicContact CG-CD2 4Å
121R67.8Low76.6Confident209 Ų20950 Ų5079%0.78926%0.263SS*.Hα-helixtrans-78.5-26.9176.3-77.1-179.8-165.9140.73.3113.1P117 V118 I119P117-R121 WeakPolarHBondContact O-CG 3.21Å; P117-R121 PolarHBondContact O-N 3.3Å; V118-R121 PolarHBondContact O-N 2.93Å; I119-R121 VanDerWaalsContact C-N 3.32Å; I119-R121 PolarHBondContact O-N 3.49Å
122A62.7Low77.2Confident35 Ų3549.9 Ų49.929%0.28926%0.262SS..Hα-helixtrans-88.8-21.2-177.500000113.5I90 V118 I119I90-A122 HydrophobicContact CG2-CB 3.72Å; V118-A122 WeakPolarHBondContact O-CB 3.43Å; V118-A122 PolarHBondContact O-N 3.38Å; I119-A122 PolarHBondContact O-N 3.17Å
123L60.2Low77.3Confident31 Ų3146.7 Ų46.716%0.16225%0.249CC..  trans-101.7137.1-170.6-68.8-171.7000114.7I96 I119 V126 V128I96-L123 HydrophobicContact CD1-CD1 4.12Å; I96-L123 HydrophobicContact CD1-CD2 3.93Å; I96-L123 HydrophobicContact CD1-CG 4.36Å; I119-L123 HydrophobicContact CG2-CD1 3.34Å; I119-L123 HydrophobicContact CG2-CG 3.92Å; I119-L123 VanDerWaalsContact O-CB 3.32Å; I119-L123 WeakPolarHBondContact O-CB 3.36Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 2.92Å; L123-V126 HydrophobicContact CD1-CB 4.5Å; L123-V126 HydrophobicContact CD2-CB 3.43Å; L123-V126 VanDerWaalsContact CD2-CB 3.43Å; L123-V126 HydrophobicContact CD2-CG1 4.42Å; L123-V126 HydrophobicContact CD2-CG2 3.43Å; L123-V126 VanDerWaalsContact CD2-CG2 3.43Å; L123-V128 HydrophobicContact CD1-CG2 3.77Å
124N55.6Low77.3Confident163 Ų16343.2 Ų43.287%0.87224%0.235SC*.SBendtrans-127.20.5157.2-91.8-22.5000114.6
125S68.6Low77.5Confident110 Ų11044.2 Ų44.277%0.76924%0.243SC*.SBendtrans-168.25.9176.5-74.10000117.4
126V82.7Confident77.8Confident40 Ų4046.2 Ų46.224%0.24225%0.251CS..  trans-82.4132.4-174.4-174.50000110.7A93 I96 L123A93-V126 WeakPolarHBondContact O-CG1 3.37Å; I96-V126 HydrophobicContact CD1-CG1 4.35Å; I96-V126 HydrophobicContact CG1-CG1 4.19Å; L123-V126 HydrophobicContact CD1-CB 4.5Å; L123-V126 HydrophobicContact CD2-CB 3.43Å; L123-V126 VanDerWaalsContact CD2-CB 3.43Å; L123-V126 HydrophobicContact CD2-CG1 4.42Å; L123-V126 HydrophobicContact CD2-CG2 3.43Å; L123-V126 VanDerWaalsContact CD2-CG2 3.43Å
127P87.2Confident77.2Confident24 Ų2452.4 Ų52.416%0.15628%0.279CS..  trans-66.3136.3176.627.3-34.7000112D94 I95 I96 F194D94-P127 WeakPolarHBondContact O-CD 3.45Å; D94-P127 WeakPolarHBondContact O-CG 3.29Å; I95-P127 HydrophobicContact CG1-CG 4.22Å; I96-P127 PolarHBondContact N-O 3.35Å; P127-F194 HydrophobicContact CB-CD1 3.37Å; P127-F194 HydrophobicContact CB-CE1 3.55Å; P127-F194 HydrophobicContact CB-CG 4.07Å; P127-F194 HydrophobicContact CB-CZ 4.37Å; P127-F194 HydrophobicContact CG-CB 4.5Å; P127-F194 HydrophobicContact CG-CD1 3.88Å; P127-F194 HydrophobicContact CG-CG 4.41Å
128V90.4Very high76.4Confident6 Ų655.2 Ų55.24%0.03629%0.292CS..EExtended strand (participates in β ladder)trans-116.8132.5178.1-173.90000109.7I96 I98 I119 L123 L168 A170 T171I96-V128 HydrophobicContact CB-CG2 4.31Å; I96-V128 HydrophobicContact CG2-CG1 4.42Å; I96-V128 CarbonylContact O-C 3.56Å; I96-V128 VanDerWaalsContact O-CA 3.32Å; I96-V128 WeakPolarHBondContact O-CA 3.18Å; I98-V128 HydrophobicContact CD1-CG1 3.75Å; I98-V128 HydrophobicContact CG1-CG1 4.11Å; I119-V128 HydrophobicContact CG2-CG2 4.48Å; L123-V128 HydrophobicContact CD1-CG2 3.77Å; V128-L168 HydrophobicContact CG1-CD1 4.47Å; V128-A170 HydrophobicContact CB-CB 3.76Å; V128-A170 HydrophobicContact CG1-CB 3.83Å; V128-A170 CarbonylContact O-C 3.49Å; V128-A170 VanDerWaalsContact O-CA 3.31Å; V128-A170 WeakPolarHBondContact O-CA 3.47Å; V128-A170 WeakPolarHBondContact O-CB 3.15Å; V128-T171 PolarHBondContact O-N 3.3Å
129I91.3Very high75.4Confident0 Ų061.7 Ų61.70%032%0.319CS..EExtended strand (participates in β ladder)trans-113.4128.7174-56170.8000107.7I95 I96 V97 I98 T171 F187 V190 L191 F194I95-I129 HydrophobicContact CG2-CD1 4.1Å; I96-I129 PolarHBondContact O-N 3.03Å; V97-I129 CarbonylContact C-O 3.54Å; V97-I129 WeakPolarHBondContact CA-O 3.41Å; V97-I129 HydrophobicContact CG2-CB 4.46Å; V97-I129 HydrophobicContact CG2-CD1 4.38Å; I98-I129 PolarHBondContact N-O 2.89Å; I129-T171 CarbonylContact C-O 3.58Å; I129-T171 WeakPolarHBondContact CA-O 3.33Å; I129-F187 HydrophobicContact CG2-CE2 4.48Å; I129-V190 HydrophobicContact CD1-CG1 4.15Å; I129-V190 HydrophobicContact CG1-CG1 4.41Å; I129-L191 HydrophobicContact CD1-CB 4.48Å; I129-L191 HydrophobicContact CD1-CD1 3.86Å; I129-F194 HydrophobicContact CD1-CD2 3.69Å; I129-F194 HydrophobicContact CD1-CE2 4.22Å; I129-F194 HydrophobicContact CG1-CD2 3.84Å; I129-F194 HydrophobicContact CG1-CE2 3.92Å
130I91.7Very high74.2Confident0 Ų070.2 Ų70.20%036%0.359CS..EExtended strand (participates in β ladder)trans-107.8115.3172-56.1-177000108.3I98 Y100 L164 A165 L168 A170 T171 Y172 L173I98-I130 HydrophobicContact CB-CG1 4.25Å; I98-I130 HydrophobicContact CD1-CG1 4.44Å; I98-I130 CarbonylContact O-C 3.36Å; I98-I130 WeakPolarHBondContact O-CA 3.3Å; Y100-I130 HydrophobicContact CD1-CG2 4.14Å; Y100-I130 HydrophobicContact CE1-CG2 3.7Å; I130-L164 HydrophobicContact CD1-CB 4.47Å; I130-L164 HydrophobicContact CD1-CD2 4.11Å; I130-L164 HydrophobicContact CD1-CG 4.15Å; I130-A165 HydrophobicContact CD1-CB 3.92Å; I130-L168 HydrophobicContact CD1-CD1 3.99Å; I130-A170 HydrophobicContact CD1-CB 3.92Å; I130-A170 HydrophobicContact CG1-CB 3.8Å; I130-T171 PolarHBondContact N-O 3.15Å; I130-Y172 HydrophobicContact CB-CD2 4.1Å; I130-Y172 HydrophobicContact CG2-CD2 3.97Å; I130-Y172 HydrophobicContact CG2-CE2 4.14Å; I130-L173 PolarHBondContact O-N 3.27Å
131A90.8Very high72.9Confident0 Ų073.1 Ų73.10%038%0.379CS..EExtended strand (participates in β ladder)trans-104.5108.8177.100000110.3L24 I98 K99 Y100 L173 L175L24-A131 HydrophobicContact CD2-CB 3.57Å; I98-A131 PolarHBondContact O-N 3.43Å; K99-A131 WeakPolarHBondContact CA-O 3.4Å; Y100-A131 PolarHBondContact N-O 2.76Å; A131-L173 CarbonylContact C-O 3.47Å; A131-L173 WeakPolarHBondContact CA-O 3.42Å; A131-L175 HydrophobicContact CB-CD1 4.3Å
132A90.2Very high72Confident0 Ų067.6 Ų67.60%037%0.37CS..EExtended strand (participates in β ladder)trans-90.3115.5172.400000108.9Y100 V102 Y172 L173 E174 L175Y100-A132 HydrophobicContact CE1-CB 3.84Å; Y100-A132 HydrophobicContact CE2-CB 3.99Å; Y100-A132 VanDerWaalsContact CZ-CB 3.47Å; Y100-A132 WeakPolarHBondContact OH-CB 3.42Å; V102-A132 HydrophobicContact CG1-CB 3.79Å; A132-Y172 HydrophobicContact CB-CE2 3.93Å; A132-Y172 VanDerWaalsContact CB-OH 3.28Å; A132-Y172 WeakPolarHBondContact CB-OH 3.23Å; A132-L173 PolarHBondContact N-O 3.34Å; A132-E174 HydrophobicContact CB-CG 4.33Å; A132-E174 WeakPolarHBondContact O-CA 3.37Å; A132-L175 PolarHBondContact O-N 3.48Å
133V86.3Confident71.2Confident7 Ų768.1 Ų68.14%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-109.8130.9-169-1770000110.9E11 Y100 N101 V102 L175 L178E11-V133 HydrophobicContact CB-CB 4.25Å; E11-V133 HydrophobicContact CB-CG1 4.44Å; E11-V133 HydrophobicContact CB-CG2 4.29Å; Y100-V133 PolarHBondContact O-N 2.75Å; N101-V133 CarbonylContact C-O 3.58Å; N101-V133 WeakPolarHBondContact CA-O 3.41Å; N101-V133 PolarHBondContact OD1-O 2.74Å; V102-V133 PolarHBondContact N-O 3.22Å; V133-L175 CarbonylContact C-O 3.44Å; V133-L175 WeakPolarHBondContact CA-O 3.46Å; V133-L175 HydrophobicContact CG2-CD1 4.43Å; V133-L178 HydrophobicContact CG1-CD1 4.06Å; V133-L178 HydrophobicContact CG1-CD2 3.55Å; V133-L178 HydrophobicContact CG1-CG 3.6Å; V133-L178 HydrophobicContact CG2-CD2 4.29Å
134G81.1Confident70.4Confident17 Ų1773.6 Ų73.618%0.17541%0.406CS..SBendtrans117.4168.3172.600000114.5V102 L175 H176V102-G134 VanDerWaalsContact CG2-C 3.42Å; V102-G134 VanDerWaalsContact CG2-O 3.26Å; V102-G134 WeakPolarHBondContact CG2-O 3.32Å; G134-L175 PolarHBondContact N-O 3.32Å; G134-H176 CarbonylContact C-O 3.59Å; G134-H176 WeakPolarHBondContact CA-O 3.29Å
135T78.6Confident69.9Low82 Ų8269 Ų6950%0.50339%0.386SS..  trans-96.3128.3171.449.10000110.4N103 Q137 H176N103-T135 PolarHBondContact ND2-O 3.11Å; N103-T135 PolarHBondContact OD1-O 3.34Å; T135-Q137 PolarHBondContact O-N 2.84Å; T135-H176 HydrophobicContact CG2-CB 4.09Å; T135-H176 PolarHBondContact N-O 2.76Å
136R78.5Confident68.9Low45 Ų4570.1 Ų70.117%0.1739%0.39CS..  trans-65.3122.4179.8-65.8179.2-179844.8110.2V102 N103 C155 V156 T158 E174V102-R136 HydrophobicContact CB-CG 4.16Å; V102-R136 HydrophobicContact CG2-CG 3.96Å; N103-R136 WeakPolarHBondContact OD1-CA 3.39Å; R136-C155 HydrophobicContact CG-CB 4.49Å; R136-V156 PolarHBondContact NE-O 3.44Å; R136-V156 PolarHBondContact NH2-O 3.12Å; R136-T158 PolarHBondContact NH1-OG1 3.28Å; R136-T158 VanDerWaalsContact NH1-OG1 3.11Å; R136-T158 PolarHBondContact NH2-OG1 3.21Å; R136-T158 VanDerWaalsContact NH2-OG1 3.12Å; R136-E174 IonicContact CZ-OE1 2.76Å; R136-E174 IonicContact CZ-OE2 3.7Å; R136-E174 IonicContact NH1-OE1 3.84Å; R136-E174 PolarHBondContact NH1-OE1 2.95Å; R136-E174 IonicContact NH1-OE2 3.09Å; R136-E174 PolarHBondContact NH1-OE2 3Å; R136-E174 IonicContact NH2-OE1 2.93Å; R136-E174 PolarHBondContact NH2-OE1 3.39Å; R136-E174 IonicContact NH2-OE2 2.94Å; R136-E174 PolarHBondContact NH2-OE2 2.92Å
137Q64.8Low66.8Low139 Ų13975.9 Ų75.965%0.6542%0.419SS*.SBendtrans-81-14.3-171.6-68.5178.63.500114.2N103 T135N103-Q137 PolarHBondContact OD1-N 3.37Å; N103-Q137 VanDerWaalsContact OD1-N 3.11Å; T135-Q137 PolarHBondContact O-N 2.84Å
138N57.3Low64.8Low108 Ų10876.6 Ų76.658%0.57842%0.424SS*.  trans-134.284.5-178.6-71.4-14.2000112.2E140N138-E140 VanDerWaalsContact C-N 3.33Å
139E51Low62.6Low173 Ų17382.9 Ų82.981%0.80846%0.463SS*.  trans-94.332.9165.3-74.1-165.7164.100112.2
140E46.3Very low60.5Low180 Ų18087.8 Ų87.884%0.84150%0.497SS*.SBendtrans-78.3142.9168.7-73.9-166.4167.200110.8N138N138-E140 VanDerWaalsContact C-N 3.33Å
141L47.5Very low58.3Low167 Ų16791.3 Ų91.387%0.87452%0.516SS*.PPolyproline II helixtrans-51.5129.7179.2-89.3129.4000110.6C143L141-C143 PolarHBondContact O-N 2.83Å
142P48.6Very low56.3Low92 Ų92102.4 Ų102.460%0.59756%0.558SS**PPolyproline II helixtrans-62.6137-17822.8-30.9000110.9T144 D151P142-T144 PolarHBondContact O-N 3.22Å; P142-T144 VanDerWaalsContact O-N 3.16Å; P142-D151 VanDerWaalsContact C-OD2 3.31Å; P142-D151 WeakPolarHBondContact CA-OD2 3.16Å; P142-D151 WeakPolarHBondContact CB-OD2 3.46Å
143C46.5Very low54.6Low47 Ų47103.8 Ų103.832%0.31857%0.572SS.*PPolyproline II helixtrans-53.5119.6175.772.20000108.9L141 C145 C148 D151L141-C143 PolarHBondContact O-N 2.83Å; C143-C145 PolarHBondContact O-N 3.46Å; C143-C145 VanDerWaalsContact O-N 3.13Å; C143-C148 HydrophobicContact CB-CB 4.19Å; C143-C148 WeakPolarHBondContact CB-SG 3.25Å; C143-C148 WeakPolarHBondContact SG-CB 3.31Å; C143-C148 CovalentContact SG-SG 2.07Å; C143-C148 PolarHBondContact SG-SG 2.93Å; C143-D151 PolarHBondContact N-OD2 3.26Å
144T44.5Very low53.5Low145 Ų145106.8 Ų106.889%0.8959%0.593SS**  trans-77.59.2-179.248.80000113.4P142P142-T144 PolarHBondContact O-N 3.22Å; P142-T144 VanDerWaalsContact O-N 3.16Å
145C45.1Very low53.1Low67 Ų67107 Ų10745%0.45359%0.591SS.*  trans-90.3126.4-176.6460000111.8C143 L147 C148C143-C145 PolarHBondContact O-N 3.46Å; C143-C145 VanDerWaalsContact O-N 3.13Å; C145-L147 PolarHBondContact O-N 3.18Å; C145-C148 HydrophobicContact CB-CB 4.37Å; C145-C148 PolarHBondContact O-N 3.01Å; C145-C148 WeakPolarHBondContact SG-CB 3.33Å
146P46.1Very low53.2Low133 Ų133103 Ų10386%0.86457%0.567SS**THydrogen-bonded Turntrans-67.2-0.9-176.2-6.614.6000115.7
147L38.9Very low53.5Low162 Ų162102.6 Ų102.685%0.84857%0.571SS**THydrogen-bonded Turntrans-121.8-1.1-175-65.7169.7000112.9C145 T149C145-L147 PolarHBondContact O-N 3.18Å; L147-T149 PolarHBondContact O-N 3.39Å
148C44.4Very low54.3Low39 Ų3998.6 Ų98.626%0.26456%0.556SS.*  trans-79.9108.5176.4156.70000109C143 C145 S150C143-C148 HydrophobicContact CB-CB 4.19Å; C143-C148 WeakPolarHBondContact CB-SG 3.25Å; C143-C148 WeakPolarHBondContact SG-CB 3.31Å; C143-C148 CovalentContact SG-SG 2.07Å; C143-C148 PolarHBondContact SG-SG 2.93Å; C145-C148 HydrophobicContact CB-CB 4.37Å; C145-C148 PolarHBondContact O-N 3.01Å; C145-C148 WeakPolarHBondContact SG-CB 3.33Å; C148-S150 PolarHBondContact SG-OG 3.19Å
149T45.8Very low55.6Low137 Ų13798.4 Ų98.484%0.8456%0.559SS**  trans-82.4-0.8170.248.90000112.4L147 D151L147-T149 PolarHBondContact O-N 3.39Å; T149-D151 PolarHBondContact O-N 2.72Å
150S45.8Very low57.2Low104 Ų10493.1 Ų93.173%0.72754%0.535SS*.THydrogen-bonded Turntrans-78.83.6-176.674.30000114.3C148C148-S150 PolarHBondContact SG-OG 3.19Å
151D45.8Very low59Low74 Ų7484.6 Ų84.640%0.39650%0.495SS..THydrogen-bonded Turntrans-122.533.8-174.9-123.7-10.7000115.1P142 C143 T149 G153P142-D151 VanDerWaalsContact C-OD2 3.31Å; P142-D151 WeakPolarHBondContact CA-OD2 3.16Å; P142-D151 WeakPolarHBondContact CB-OD2 3.46Å; C143-D151 PolarHBondContact N-OD2 3.26Å; T149-D151 PolarHBondContact O-N 2.72Å; D151-G153 PolarHBondContact O-N 2.95Å; D151-G153 VanDerWaalsContact O-N 3.09Å
152R48.9Very low60.8Low233 Ų23379.7 Ų79.788%0.87947%0.469SS*.  trans-79.279.9151.5-71.7-168-179.3-152.62.1107.6S154R152-S154 PolarHBondContact O-N 3.29Å
153G55.3Low62.6Low28 Ų2880 Ų8029%0.28946%0.462SS..  trans-43.1123.6174.700000110.6D151 C155D151-G153 PolarHBondContact O-N 2.95Å; D151-G153 VanDerWaalsContact O-N 3.09Å; G153-C155 PolarHBondContact O-N 3.44Å
154S61.8Low64.4Low71 Ų7177.9 Ų77.950%0.49745%0.448SS..SBendtrans-64-1817649.40000112.3N103 K105 R152N103-S154 VanDerWaalsContact O-O 3.12Å; K105-S154 WeakPolarHBondContact CB-O 3.46Å; K105-S154 PolarHBondContact N-O 3.39Å; R152-S154 PolarHBondContact O-N 3.29Å
155C73.4Confident66.4Low20 Ų2071.2 Ų71.214%0.13541%0.407CS..SBendtrans-90.7152.8178.668.70000113.2V102 R136 G153V102-C155 CarbonylContact O-C 3.45Å; V102-C155 WeakPolarHBondContact O-CA 3.31Å; V102-C155 VanDerWaalsContact O-CB 3.29Å; V102-C155 WeakPolarHBondContact O-CB 3.4Å; R136-C155 HydrophobicContact CG-CB 4.49Å; G153-C155 PolarHBondContact O-N 3.44Å
156V81.3Confident68.3Low0 Ų075.1 Ų75.10%042%0.417CS..PPolyproline II helixtrans-88.1119.6174.2-177.60000108.2Y100 V102 K105 F108 R136 E160Y100-V156 HydrophobicContact CD2-CG2 4.44Å; Y100-V156 HydrophobicContact CE2-CB 3.97Å; Y100-V156 HydrophobicContact CE2-CG1 3.81Å; Y100-V156 HydrophobicContact CE2-CG2 4.15Å; V102-V156 PolarHBondContact O-N 3.19Å; K105-V156 HydrophobicContact CB-CG2 4.46Å; K105-V156 HydrophobicContact CG-CG2 4.47Å; F108-V156 HydrophobicContact CB-CG1 4.42Å; F108-V156 HydrophobicContact CB-CG2 3.48Å; F108-V156 VanDerWaalsContact CB-CG2 3.48Å; F108-V156 HydrophobicContact CD1-CG1 4.12Å; F108-V156 HydrophobicContact CD1-CG2 4.19Å; F108-V156 HydrophobicContact CD2-CG1 3.59Å; F108-V156 HydrophobicContact CD2-CG2 4.23Å; F108-V156 HydrophobicContact CE1-CG1 4.26Å; F108-V156 HydrophobicContact CE2-CG1 3.74Å; F108-V156 HydrophobicContact CG-CB 4.43Å; F108-V156 HydrophobicContact CG-CG1 3.78Å; F108-V156 HydrophobicContact CG-CG2 3.72Å; F108-V156 HydrophobicContact CZ-CG1 4.08Å; R136-V156 PolarHBondContact NE-O 3.44Å; R136-V156 PolarHBondContact NH2-O 3.12Å; V156-E160 HydrophobicContact CG1-CB 3.91Å
157S83.9Confident70.1Confident36 Ų3672.6 Ų72.625%0.25239%0.393SS..PPolyproline II helixtrans-65.6151.6177.263.50000111.7T159 E160 G161S157-T159 WeakPolarHBondContact CB-OG1 3.48Å; S157-T159 PolarHBondContact O-N 2.63Å; S157-T159 PolarHBondContact OG-OG1 3.14Å; S157-E160 WeakPolarHBondContact CB-OE2 3.24Å; S157-E160 PolarHBondContact N-OE2 3.08Å; S157-E160 PolarHBondContact O-N 3.07Å; S157-E160 VanDerWaalsContact O-N 3.09Å; S157-E160 WeakPolarHBondContact OG-CB 3.34Å; S157-E160 WeakPolarHBondContact OG-CG 3.11Å; S157-E160 PolarHBondContact OG-N 2.83Å; S157-E160 VanDerWaalsContact OG-N 3.12Å; S157-E160 PolarHBondContact OG-OE2 2.84Å; S157-G161 PolarHBondContact O-N 3.29Å; S157-G161 VanDerWaalsContact O-N 3.14Å
158T82.1Confident72Confident55 Ų5566.3 Ų66.334%0.33736%0.36SS..Hα-helixtrans-54.7-36.2171.3-62.20000111.4R136 G161 I162 E174R136-T158 PolarHBondContact NH1-OG1 3.28Å; R136-T158 VanDerWaalsContact NH1-OG1 3.11Å; R136-T158 PolarHBondContact NH2-OG1 3.21Å; R136-T158 VanDerWaalsContact NH2-OG1 3.12Å; T158-G161 PolarHBondContact O-N 3.34Å; T158-I162 HydrophobicContact CG2-CD1 3.61Å; T158-I162 HydrophobicContact CG2-CG1 4.24Å; T158-I162 WeakPolarHBondContact O-CB 3.42Å; T158-I162 VanDerWaalsContact O-CG1 3.27Å; T158-I162 WeakPolarHBondContact O-CG1 3.4Å; T158-I162 PolarHBondContact O-N 3.43Å; T158-E174 WeakPolarHBondContact CA-OE1 3.47Å; T158-E174 VanDerWaalsContact CB-OE1 3.26Å; T158-E174 WeakPolarHBondContact CB-OE1 3.49Å; T158-E174 WeakPolarHBondContact CG2-OE1 3.38Å; T158-E174 PolarHBondContact OG1-OE1 3.21Å
159T83.5Confident73.8Confident104 Ų10467.9 Ų67.964%0.63838%0.384SS*.Hα-helixtrans-64.3-40.4176.443.10000113.1S157 Q163S157-T159 WeakPolarHBondContact CB-OG1 3.48Å; S157-T159 PolarHBondContact O-N 2.63Å; S157-T159 PolarHBondContact OG-OG1 3.14Å; T159-Q163 VanDerWaalsContact O-CB 3.27Å; T159-Q163 WeakPolarHBondContact O-CB 3.33Å; T159-Q163 PolarHBondContact O-N 3Å
160E85.5Confident75.8Confident62 Ų6262.1 Ų62.129%0.2935%0.35SS..Hα-helixtrans-65.1-42.1175.7-77.9164.3124.300111.1K105 F108 V156 S157 Q163 L164K105-E160 IonicContact NZ-OE1 2.83Å; K105-E160 PolarHBondContact NZ-OE1 3.16Å; K105-E160 IonicContact NZ-OE2 3.41Å; F108-E160 HydrophobicContact CE1-CB 4.29Å; F108-E160 HydrophobicContact CZ-CB 3.92Å; V156-E160 HydrophobicContact CG1-CB 3.91Å; S157-E160 WeakPolarHBondContact CB-OE2 3.24Å; S157-E160 PolarHBondContact N-OE2 3.08Å; S157-E160 PolarHBondContact O-N 3.07Å; S157-E160 VanDerWaalsContact O-N 3.09Å; S157-E160 WeakPolarHBondContact OG-CB 3.34Å; S157-E160 WeakPolarHBondContact OG-CG 3.11Å; S157-E160 PolarHBondContact OG-N 2.83Å; S157-E160 VanDerWaalsContact OG-N 3.12Å; S157-E160 PolarHBondContact OG-OE2 2.84Å; E160-Q163 PolarHBondContact O-N 3.46Å; E160-L164 PolarHBondContact O-N 3.35Å
161G84.8Confident77.9Confident0 Ų059.8 Ų59.80%033%0.331CS..Hα-helixtrans-65.6-44.4176.500000114Y100 S157 T158 Q163 L164 A165Y100-G161 WeakPolarHBondContact OH-CA 3.26Å; S157-G161 PolarHBondContact O-N 3.29Å; S157-G161 VanDerWaalsContact O-N 3.14Å; T158-G161 PolarHBondContact O-N 3.34Å; G161-Q163 VanDerWaalsContact C-N 3.32Å; G161-Q163 PolarHBondContact O-N 2.88Å; G161-L164 WeakPolarHBondContact O-CB 3.4Å; G161-L164 PolarHBondContact O-N 2.93Å; G161-A165 PolarHBondContact O-N 3.28Å
162I84.6Confident80.1Confident65 Ų6558.5 Ų58.533%0.33332%0.321SS..Hα-helixtrans-64.7-39176.4-69.9170.9000111T158 L164 A165 K166 Y172T158-I162 HydrophobicContact CG2-CD1 3.61Å; T158-I162 HydrophobicContact CG2-CG1 4.24Å; T158-I162 WeakPolarHBondContact O-CB 3.42Å; T158-I162 VanDerWaalsContact O-CG1 3.27Å; T158-I162 WeakPolarHBondContact O-CG1 3.4Å; T158-I162 PolarHBondContact O-N 3.43Å; I162-L164 VanDerWaalsContact C-N 3.33Å; I162-A165 PolarHBondContact O-N 2.99Å; I162-K166 HydrophobicContact CG2-CD 4.36Å; I162-K166 WeakPolarHBondContact O-CG 3.3Å; I162-K166 PolarHBondContact O-N 3.37Å; I162-Y172 HydrophobicContact CG1-CD1 3.66Å; I162-Y172 HydrophobicContact CG1-CE1 3.85Å; I162-Y172 HydrophobicContact CG1-CG 4.35Å
163Q86.2Confident82Confident97 Ų9748.5 Ų48.545%0.45329%0.285SS..Hα-helixtrans-63.1-42.7176.4-177.757.63200111T159 E160 G161 A165 K166 E167T159-Q163 VanDerWaalsContact O-CB 3.27Å; T159-Q163 WeakPolarHBondContact O-CB 3.33Å; T159-Q163 PolarHBondContact O-N 3Å; E160-Q163 PolarHBondContact O-N 3.46Å; G161-Q163 VanDerWaalsContact C-N 3.32Å; G161-Q163 PolarHBondContact O-N 2.88Å; Q163-A165 VanDerWaalsContact C-N 3.32Å; Q163-A165 PolarHBondContact O-N 3Å; Q163-K166 PolarHBondContact O-N 2.87Å; Q163-E167 PolarHBondContact NE2-OE1 2.96Å; Q163-E167 VanDerWaalsContact NE2-OE1 3.13Å; Q163-E167 WeakPolarHBondContact O-CG 3.42Å; Q163-E167 PolarHBondContact O-N 3.12Å
164L84.1Confident83.5Confident3 Ų349.5 Ų49.52%0.01628%0.282CS..Hα-helixtrans-57.8-44.4173.8-165.874.9000111.9F108 V111 K112 I116 I130 E160 G161 I162 E167 L168F108-L164 HydrophobicContact CD2-CD2 4.16Å; F108-L164 HydrophobicContact CE2-CB 4.13Å; F108-L164 HydrophobicContact CE2-CD1 4.48Å; F108-L164 HydrophobicContact CE2-CD2 3.64Å; F108-L164 HydrophobicContact CE2-CG 4.31Å; F108-L164 HydrophobicContact CZ-CB 4.33Å; F108-L164 HydrophobicContact CZ-CD1 4.42Å; F108-L164 HydrophobicContact CZ-CD2 4.36Å; V111-L164 HydrophobicContact CG1-CD2 4.03Å; K112-L164 HydrophobicContact CB-CD1 3.81Å; K112-L164 HydrophobicContact CD-CD1 4.23Å; K112-L164 HydrophobicContact CG-CD1 3.71Å; I116-L164 HydrophobicContact CD1-CD1 3.22Å; I116-L164 HydrophobicContact CD1-CG 3.82Å; I130-L164 HydrophobicContact CD1-CB 4.47Å; I130-L164 HydrophobicContact CD1-CD2 4.11Å; I130-L164 HydrophobicContact CD1-CG 4.15Å; E160-L164 PolarHBondContact O-N 3.35Å; G161-L164 WeakPolarHBondContact O-CB 3.4Å; G161-L164 PolarHBondContact O-N 2.93Å; I162-L164 VanDerWaalsContact C-N 3.33Å; L164-E167 PolarHBondContact O-N 3.1Å; L164-L168 PolarHBondContact O-N 3.28Å
165A87.7Confident84.5Confident5 Ų546.2 Ų46.24%0.04126%0.259CS..Hα-helixtrans-64.1-41.9178.300000112.7I130 G161 I162 Q163 E167 L168 G169 A170 Y172I130-A165 HydrophobicContact CD1-CB 3.92Å; G161-A165 PolarHBondContact O-N 3.28Å; I162-A165 PolarHBondContact O-N 2.99Å; Q163-A165 VanDerWaalsContact C-N 3.32Å; Q163-A165 PolarHBondContact O-N 3Å; A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 3.4Å; A165-L168 PolarHBondContact O-N 3.44Å; A165-G169 PolarHBondContact O-N 3.03Å; A165-A170 HydrophobicContact CB-CB 4.48Å; A165-A170 PolarHBondContact O-N 3.41Å; A165-Y172 HydrophobicContact CB-CD2 4.19Å; A165-Y172 HydrophobicContact CB-CG 4.27Å
166K85.3Confident84.6Confident150 Ų15049.7 Ų49.765%0.65227%0.273SS*.Hα-helixtrans-61.3-40.2175-74.3176.8-179.6177.10112.1I162 Q163 L168 G169I162-K166 HydrophobicContact CG2-CD 4.36Å; I162-K166 WeakPolarHBondContact O-CG 3.3Å; I162-K166 PolarHBondContact O-N 3.37Å; Q163-K166 PolarHBondContact O-N 2.87Å; K166-L168 PolarHBondContact O-N 3.25Å; K166-G169 PolarHBondContact O-N 2.95Å
167E83.8Confident84.3Confident79 Ų7951.6 Ų51.637%0.36929%0.287SS..Hα-helixtrans-65.8-24.9179.2-75.1176-159.100113.7K120 Q163 L164 A165K120-E167 WeakPolarHBondContact CE-O 3.41Å; K120-E167 PolarHBondContact NZ-O 3.45Å; Q163-E167 PolarHBondContact NE2-OE1 2.96Å; Q163-E167 VanDerWaalsContact NE2-OE1 3.13Å; Q163-E167 WeakPolarHBondContact O-CG 3.42Å; Q163-E167 PolarHBondContact O-N 3.12Å; L164-E167 PolarHBondContact O-N 3.1Å; A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 3.4Å
168L77.6Confident83.8Confident30 Ų3052 Ų5216%0.15729%0.285CS..Hα-helixtrans-100-8.9176.7-74.1177000113.9I98 I116 I119 K120 V128 I130 L164 A165 K166 A170I98-L168 HydrophobicContact CD1-CD1 3.64Å; I116-L168 HydrophobicContact CB-CD2 4.35Å; I116-L168 HydrophobicContact CD1-CD1 3.72Å; I116-L168 HydrophobicContact CD1-CD2 4.17Å; I116-L168 HydrophobicContact CD1-CG 3.82Å; I116-L168 HydrophobicContact CG1-CD1 3.87Å; I116-L168 HydrophobicContact CG1-CD2 4.04Å; I116-L168 HydrophobicContact CG1-CG 4.16Å; I116-L168 HydrophobicContact CG2-CD2 3.9Å; I119-L168 HydrophobicContact CG2-CD2 4.43Å; K120-L168 HydrophobicContact CG-CD2 4Å; V128-L168 HydrophobicContact CG1-CD1 4.47Å; I130-L168 HydrophobicContact CD1-CD1 3.99Å; L164-L168 PolarHBondContact O-N 3.28Å; A165-L168 PolarHBondContact O-N 3.44Å; K166-L168 PolarHBondContact O-N 3.25Å; L168-A170 HydrophobicContact CB-CB 3.91Å; L168-A170 PolarHBondContact O-N 3.5Å
169G83.2Confident83.3Confident73 Ų7352.3 Ų52.375%0.75329%0.285SS*.THydrogen-bonded Turntrans62.229.5-166.900000112.7A165 K166A165-G169 PolarHBondContact O-N 3.03Å; K166-G169 PolarHBondContact O-N 2.95Å
170A86.8Confident82.4Confident16 Ų1653.4 Ų53.413%0.13229%0.287CS..PPolyproline II helixtrans-92.1158.8-173.400000112.6V128 I130 A165 L168V128-A170 HydrophobicContact CB-CB 3.76Å; V128-A170 HydrophobicContact CG1-CB 3.83Å; V128-A170 CarbonylContact O-C 3.49Å; V128-A170 VanDerWaalsContact O-CA 3.31Å; V128-A170 WeakPolarHBondContact O-CA 3.47Å; V128-A170 WeakPolarHBondContact O-CB 3.15Å; I130-A170 HydrophobicContact CD1-CB 3.92Å; I130-A170 HydrophobicContact CG1-CB 3.8Å; A165-A170 HydrophobicContact CB-CB 4.48Å; A165-A170 PolarHBondContact O-N 3.41Å; L168-A170 HydrophobicContact CB-CB 3.91Å; L168-A170 PolarHBondContact O-N 3.5Å
171T90.1Very high81.7Confident55 Ų5556 Ų5634%0.33730%0.298SS..EExtended strand (participates in β ladder)trans-84.1119.5170.2-58.80000109.5V128 I129 I130 V190 F194V128-T171 PolarHBondContact O-N 3.3Å; I129-T171 CarbonylContact C-O 3.58Å; I129-T171 WeakPolarHBondContact CA-O 3.33Å; I130-T171 PolarHBondContact N-O 3.15Å; T171-V190 HydrophobicContact CG2-CG1 4.05Å; T171-F194 WeakPolarHBondContact OG1-CZ 3.37Å
172Y91.6Very high80.9Confident47 Ų4759.3 Ų59.318%0.18431%0.311CS..EExtended strand (participates in β ladder)trans-90.5134.6179-171.3-113.6000111.5Y100 I130 A132 I162 A165 E174Y100-Y172 HydrophobicContact CE1-CE2 4.39Å; Y100-Y172 PolarHBondContact OH-OH 3.39Å; I130-Y172 HydrophobicContact CB-CD2 4.1Å; I130-Y172 HydrophobicContact CG2-CD2 3.97Å; I130-Y172 HydrophobicContact CG2-CE2 4.14Å; A132-Y172 HydrophobicContact CB-CE2 3.93Å; A132-Y172 VanDerWaalsContact CB-OH 3.28Å; A132-Y172 WeakPolarHBondContact CB-OH 3.23Å; I162-Y172 HydrophobicContact CG1-CD1 3.66Å; I162-Y172 HydrophobicContact CG1-CE1 3.85Å; I162-Y172 HydrophobicContact CG1-CG 4.35Å; A165-Y172 HydrophobicContact CB-CD2 4.19Å; A165-Y172 HydrophobicContact CB-CG 4.27Å; Y172-E174 HydrophobicContact CD1-CG 4.32Å; Y172-E174 HydrophobicContact CE1-CG 3.42Å; Y172-E174 VanDerWaalsContact CE1-CG 3.42Å; Y172-E174 PolarHBondContact OH-OE1 3.32Å
173L88.7Confident80.3Confident23 Ų2356.4 Ų56.412%0.1230%0.296CS..EExtended strand (participates in β ladder)trans-136.2127.4177.9-172.869.8000110.2I130 A131 A132 L175 F187I130-L173 PolarHBondContact O-N 3.27Å; A131-L173 CarbonylContact C-O 3.47Å; A131-L173 WeakPolarHBondContact CA-O 3.42Å; A132-L173 PolarHBondContact N-O 3.34Å; L173-L175 HydrophobicContact CD2-CD1 4.22Å; L173-L175 HydrophobicContact CD2-CD2 3.7Å; L173-L175 HydrophobicContact CD2-CG 3.99Å; L173-L175 HydrophobicContact CG-CD2 3.98Å; L173-L175 HydrophobicContact CG-CG 4.14Å; L173-F187 HydrophobicContact CD2-CB 3.85Å; L173-F187 HydrophobicContact CD2-CD2 4.02Å; L173-F187 HydrophobicContact CD2-CG 4.45Å
174E87.6Confident79.3Confident49 Ų4953.9 Ų53.923%0.22930%0.296CS..EExtended strand (participates in β ladder)trans-98.4129168.3-60.9-158.9174.200110.1A132 R136 T158 Y172A132-E174 HydrophobicContact CB-CG 4.33Å; A132-E174 WeakPolarHBondContact O-CA 3.37Å; R136-E174 IonicContact CZ-OE1 2.76Å; R136-E174 IonicContact CZ-OE2 3.7Å; R136-E174 IonicContact NH1-OE1 3.84Å; R136-E174 PolarHBondContact NH1-OE1 2.95Å; R136-E174 IonicContact NH1-OE2 3.09Å; R136-E174 PolarHBondContact NH1-OE2 3Å; R136-E174 IonicContact NH2-OE1 2.93Å; R136-E174 PolarHBondContact NH2-OE1 3.39Å; R136-E174 IonicContact NH2-OE2 2.94Å; R136-E174 PolarHBondContact NH2-OE2 2.92Å; T158-E174 WeakPolarHBondContact CA-OE1 3.47Å; T158-E174 VanDerWaalsContact CB-OE1 3.26Å; T158-E174 WeakPolarHBondContact CB-OE1 3.49Å; T158-E174 WeakPolarHBondContact CG2-OE1 3.38Å; T158-E174 PolarHBondContact OG1-OE1 3.21Å; Y172-E174 HydrophobicContact CD1-CG 4.32Å; Y172-E174 HydrophobicContact CE1-CG 3.42Å; Y172-E174 VanDerWaalsContact CE1-CG 3.42Å; Y172-E174 PolarHBondContact OH-OE1 3.32Å
175L82.3Confident78.4Confident1 Ų160 Ų601%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-119.9106.8179.4-63.6175.5000108.1L24 A131 A132 V133 G134 L173 S177 F187L24-L175 HydrophobicContact CD1-CD1 3.48Å; L24-L175 VanDerWaalsContact CD1-CD1 3.48Å; L24-L175 HydrophobicContact CD2-CD1 4.27Å; A131-L175 HydrophobicContact CB-CD1 4.3Å; A132-L175 PolarHBondContact O-N 3.48Å; V133-L175 CarbonylContact C-O 3.44Å; V133-L175 WeakPolarHBondContact CA-O 3.46Å; V133-L175 HydrophobicContact CG2-CD1 4.43Å; G134-L175 PolarHBondContact N-O 3.32Å; L173-L175 HydrophobicContact CD2-CD1 4.22Å; L173-L175 HydrophobicContact CD2-CD2 3.7Å; L173-L175 HydrophobicContact CD2-CG 3.99Å; L173-L175 HydrophobicContact CG-CD2 3.98Å; L173-L175 HydrophobicContact CG-CG 4.14Å; L175-S177 VanDerWaalsContact C-N 3.25Å; L175-S177 PolarHBondContact O-N 3.43Å; L175-F187 HydrophobicContact CD1-CB 4.09Å; L175-F187 HydrophobicContact CD1-CD2 4.49Å; L175-F187 HydrophobicContact CD1-CG 4.47Å; L175-F187 HydrophobicContact CD2-CB 4.32Å
176H77.1Confident77.7Confident93 Ų9365 Ų6543%0.43134%0.341SS..SBendtrans-62.8-32.2-176.9-65.5-63.7000113.1G134 T135G134-H176 CarbonylContact C-O 3.59Å; G134-H176 WeakPolarHBondContact CA-O 3.29Å; T135-H176 HydrophobicContact CG2-CB 4.09Å; T135-H176 PolarHBondContact N-O 2.76Å
177S74.2Confident77.5Confident41 Ų4157.9 Ų57.929%0.28731%0.31SS..  trans-148.4157.2179.445.30000110.5L175 D179 Y182L175-S177 VanDerWaalsContact C-N 3.25Å; L175-S177 PolarHBondContact O-N 3.43Å; S177-D179 PolarHBondContact O-N 3.08Å; S177-D179 PolarHBondContact OG-OD2 2.8Å; S177-Y182 WeakPolarHBondContact OG-CD2 3.27Å; S177-Y182 WeakPolarHBondContact OG-CE2 3.13Å
178L72.9Confident77.1Confident43 Ų4354.1 Ų54.123%0.22529%0.293CS..  trans-87.444.5172.7-65.6175.3000111.7E11 S22 L24 V133 I183E11-L178 HydrophobicContact CG-CD1 4.13Å; S22-L178 WeakPolarHBondContact O-CD1 3.41Å; L24-L178 HydrophobicContact CB-CD2 3.97Å; L24-L178 HydrophobicContact CD1-CD2 3.83Å; V133-L178 HydrophobicContact CG1-CD1 4.06Å; V133-L178 HydrophobicContact CG1-CD2 3.55Å; V133-L178 HydrophobicContact CG1-CG 3.6Å; V133-L178 HydrophobicContact CG2-CD2 4.29Å; L178-I183 HydrophobicContact CB-CD1 3.98Å; L178-I183 HydrophobicContact CD2-CD1 3.83Å
179D71.9Confident77.1Confident62 Ų6254.4 Ų54.433%0.33230%0.302SS..SBendtrans-91159.7174.866.245.3000112.3S177 F181 Y182 I183S177-D179 PolarHBondContact O-N 3.08Å; S177-D179 PolarHBondContact OG-OD2 2.8Å; D179-F181 PolarHBondContact O-N 2.86Å; D179-F181 VanDerWaalsContact O-N 3.14Å; D179-F181 WeakPolarHBondContact OD1-CB 3.45Å; D179-F181 PolarHBondContact OD1-N 2.89Å; D179-F181 VanDerWaalsContact OD1-N 3.12Å; D179-Y182 PolarHBondContact O-N 2.86Å; D179-Y182 WeakPolarHBondContact OD1-CD2 3.3Å; D179-Y182 PolarHBondContact OD1-N 2.76Å; D179-Y182 VanDerWaalsContact OD2-CD2 3.3Å; D179-Y182 WeakPolarHBondContact OD2-CD2 3.28Å; D179-I183 WeakPolarHBondContact O-CB 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.3Å; D179-I183 PolarHBondContact O-N 3.34Å
180D65.3Low77Confident128 Ų12852.6 Ų52.668%0.68428%0.277SS*.Hα-helixtrans-60.5-25.4-176.9-67.2-21.3000112.6T27 G184T27-D180 WeakPolarHBondContact CG2-OD1 3.46Å; D180-G184 WeakPolarHBondContact O-CA 3.43Å; D180-G184 PolarHBondContact O-N 2.86Å
181F70Confident76.7Confident116 Ų11651.9 Ų51.951%0.50927%0.271SS..Hα-helixtrans-73.6-52.5-179.8178.3-96000111.6D179 K185 Y186D179-F181 PolarHBondContact O-N 2.86Å; D179-F181 VanDerWaalsContact O-N 3.14Å; D179-F181 WeakPolarHBondContact OD1-CB 3.45Å; D179-F181 PolarHBondContact OD1-N 2.89Å; D179-F181 VanDerWaalsContact OD1-N 3.12Å; F181-K185 HydrophobicContact CE2-CD 4.16Å; F181-K185 HydrophobicContact CZ-CD 4.09Å; F181-K185 WeakPolarHBondContact O-CB 3.38Å; F181-K185 PolarHBondContact O-N 2.86Å; F181-K185 VanDerWaalsContact O-N 3.09Å; F181-Y186 HydrophobicContact CE1-CE2 4.18Å
182Y67.3Low76.3Confident70 Ų7053.3 Ų53.328%0.27527%0.273SS..Hα-helixtrans-68-40.9179-73.3-73.8000111.5S177 D179 Y186 F187S177-Y182 WeakPolarHBondContact OG-CD2 3.27Å; S177-Y182 WeakPolarHBondContact OG-CE2 3.13Å; D179-Y182 PolarHBondContact O-N 2.86Å; D179-Y182 WeakPolarHBondContact OD1-CD2 3.3Å; D179-Y182 PolarHBondContact OD1-N 2.76Å; D179-Y182 VanDerWaalsContact OD2-CD2 3.3Å; D179-Y182 WeakPolarHBondContact OD2-CD2 3.28Å; Y182-Y186 AromaticContact CD1-CD2 3.94Å; Y182-Y186 HydrophobicContact CD1-CD2 3.94Å; Y182-Y186 AromaticContact CD1-CE2 3.94Å; Y182-Y186 HydrophobicContact CD1-CE2 3.94Å; Y182-Y186 HydrophobicContact CE1-CE2 4.34Å; Y182-Y186 WeakPolarHBondContact O-CB 3.46Å; Y182-Y186 PolarHBondContact O-N 3.43Å; Y182-F187 PolarHBondContact O-N 3.44Å
183I72.6Confident76Confident3 Ų357.9 Ų57.92%0.01529%0.292CS..Iπ-helixtrans-69.8-48.5-179-66.3-180000111L24 T27 Y28 L178 D179 F187 G188L24-I183 HydrophobicContact CD1-CD1 4Å; L24-I183 HydrophobicContact CD1-CG1 3.95Å; T27-I183 VanDerWaalsContact CB-CD1 3.49Å; T27-I183 HydrophobicContact CG2-CD1 3.52Å; Y28-I183 HydrophobicContact CD2-CG2 4.15Å; Y28-I183 HydrophobicContact CG-CG2 4.38Å; L178-I183 HydrophobicContact CB-CD1 3.98Å; L178-I183 HydrophobicContact CD2-CD1 3.83Å; D179-I183 WeakPolarHBondContact O-CB 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.3Å; D179-I183 PolarHBondContact O-N 3.34Å; I183-F187 HydrophobicContact CG2-CD1 4.26Å; I183-F187 PolarHBondContact O-N 3.14Å; I183-G188 PolarHBondContact O-N 3.36Å
184G64.7Low75.8Confident45 Ų4557.8 Ų57.846%0.46429%0.29SS..Iπ-helixtrans-66.1-43.5-178.800000112.6D180D180-G184 WeakPolarHBondContact O-CA 3.43Å; D180-G184 PolarHBondContact O-N 2.86Å
185K65.8Low75.5Confident132 Ų13255.5 Ų55.557%0.57428%0.279SS*.Iπ-helixtrans-84.7-39.6-171.6-167174.8-179.6177.60113.9F181F181-K185 HydrophobicContact CE2-CD 4.16Å; F181-K185 HydrophobicContact CZ-CD 4.09Å; F181-K185 WeakPolarHBondContact O-CB 3.38Å; F181-K185 PolarHBondContact O-N 2.86Å; F181-K185 VanDerWaalsContact O-N 3.09Å
186Y72.7Confident75.3Confident110 Ų11059.1 Ų59.143%0.43130%0.298SS..Iπ-helixtrans-101.6-57.3-173.4-63.6-90.2000111.8F181 Y182 V190F181-Y186 HydrophobicContact CE1-CE2 4.18Å; Y182-Y186 AromaticContact CD1-CD2 3.94Å; Y182-Y186 HydrophobicContact CD1-CD2 3.94Å; Y182-Y186 AromaticContact CD1-CE2 3.94Å; Y182-Y186 HydrophobicContact CD1-CE2 3.94Å; Y182-Y186 HydrophobicContact CE1-CE2 4.34Å; Y182-Y186 WeakPolarHBondContact O-CB 3.46Å; Y182-Y186 PolarHBondContact O-N 3.43Å; Y186-V190 VanDerWaalsContact O-CG2 3.32Å; Y186-V190 WeakPolarHBondContact O-CG2 3.34Å; Y186-V190 PolarHBondContact O-N 3.35Å
187F80.9Confident75.5Confident0 Ų057.9 Ų57.90%029%0.292CS..Iπ-helixtrans-65.9-46.8178.4177.8-105.7000111.5L24 I25 Y28 V97 I129 L173 L175 Y182 I183 V190 L191L24-F187 HydrophobicContact CD1-CB 4.5Å; L24-F187 HydrophobicContact CD1-CD1 4Å; L24-F187 HydrophobicContact CD1-CD2 4.36Å; L24-F187 HydrophobicContact CD1-CE1 4.3Å; L24-F187 HydrophobicContact CD1-CG 4.02Å; L24-F187 HydrophobicContact CD2-CD2 4.13Å; L24-F187 HydrophobicContact CD2-CE1 4.45Å; L24-F187 HydrophobicContact CD2-CE2 3.82Å; L24-F187 HydrophobicContact CD2-CZ 3.99Å; L24-F187 HydrophobicContact CG-CD1 4.31Å; L24-F187 HydrophobicContact CG-CE1 4.1Å; L24-F187 HydrophobicContact CG-CE2 4.34Å; L24-F187 HydrophobicContact CG-CZ 4.12Å; I25-F187 HydrophobicContact CD1-CE1 4.28Å; I25-F187 HydrophobicContact CD1-CZ 4.01Å; Y28-F187 HydrophobicContact CD1-CE1 4.41Å; Y28-F187 HydrophobicContact CD2-CD1 4.16Å; Y28-F187 HydrophobicContact CD2-CE1 4.47Å; Y28-F187 HydrophobicContact CG-CD1 4.15Å; Y28-F187 HydrophobicContact CG-CE1 4.06Å; V97-F187 HydrophobicContact CG1-CE2 3.95Å; V97-F187 HydrophobicContact CG1-CZ 4.09Å; V97-F187 HydrophobicContact CG2-CZ 4.38Å; I129-F187 HydrophobicContact CG2-CE2 4.48Å; L173-F187 HydrophobicContact CD2-CB 3.85Å; L173-F187 HydrophobicContact CD2-CD2 4.02Å; L173-F187 HydrophobicContact CD2-CG 4.45Å; L175-F187 HydrophobicContact CD1-CB 4.09Å; L175-F187 HydrophobicContact CD1-CD2 4.49Å; L175-F187 HydrophobicContact CD1-CG 4.47Å; L175-F187 HydrophobicContact CD2-CB 4.32Å; Y182-F187 PolarHBondContact O-N 3.44Å; I183-F187 HydrophobicContact CG2-CD1 4.26Å; I183-F187 PolarHBondContact O-N 3.14Å; F187-V190 PolarHBondContact O-N 2.98Å; F187-L191 HydrophobicContact CE1-CD2 3.84Å; F187-L191 HydrophobicContact CZ-CD2 4.02Å; F187-L191 VanDerWaalsContact O-CB 3.29Å; F187-L191 WeakPolarHBondContact O-CB 3.49Å; F187-L191 PolarHBondContact O-N 3.26Å
188G76Confident75.9Confident0 Ų056.2 Ų56.20%028%0.281CS..Hα-helixtrans-60.5-46.9178.200000112.4I183 V190 L191 E192I183-G188 PolarHBondContact O-N 3.36Å; G188-V190 PolarHBondContact O-N 3.36Å; G188-L191 PolarHBondContact O-N 3.49Å; G188-E192 VanDerWaalsContact O-CB 3.24Å; G188-E192 WeakPolarHBondContact O-CB 3.16Å; G188-E192 VanDerWaalsContact O-CG 3.23Å; G188-E192 WeakPolarHBondContact O-CG 3.49Å; G188-E192 PolarHBondContact O-N 3.07Å
189G77.1Confident76.3Confident35 Ų3555.1 Ų55.136%0.36128%0.275SS..Hα-helixtrans-59.9-41.6177.400000113.6Y193G189-Y193 WeakPolarHBondContact O-CB 3.28Å; G189-Y193 PolarHBondContact O-N 3.26Å; G189-Y193 VanDerWaalsContact O-N 3.1Å
190V81.3Confident76.7Confident36 Ų3656.8 Ų56.822%0.21828%0.284CS..Hα-helixtrans-69.3-43.9176.61750000111I129 T171 Y186 F187 G188 Y193 F194I129-V190 HydrophobicContact CD1-CG1 4.15Å; I129-V190 HydrophobicContact CG1-CG1 4.41Å; T171-V190 HydrophobicContact CG2-CG1 4.05Å; Y186-V190 VanDerWaalsContact O-CG2 3.32Å; Y186-V190 WeakPolarHBondContact O-CG2 3.34Å; Y186-V190 PolarHBondContact O-N 3.35Å; F187-V190 PolarHBondContact O-N 2.98Å; G188-V190 PolarHBondContact O-N 3.36Å; V190-Y193 WeakPolarHBondContact O-CB 3.47Å; V190-Y193 PolarHBondContact O-N 3.21Å; V190-F194 HydrophobicContact CG1-CD2 3.93Å; V190-F194 HydrophobicContact CG1-CE2 3.72Å; V190-F194 WeakPolarHBondContact O-CD2 3.45Å; V190-F194 PolarHBondContact O-N 2.9Å; V190-F194 VanDerWaalsContact O-N 3.17Å
191L81Confident77.2Confident1 Ų155.2 Ų55.21%0.00527%0.273CS..Hα-helixtrans-64.9-45.1179.5-17560000111.5I5 Y28 I95 V97 I129 F187 G188 Y193 F194 M195I5-L191 HydrophobicContact CD1-CD1 4.02Å; I5-L191 HydrophobicContact CD1-CD2 4.25Å; I5-L191 HydrophobicContact CD1-CG 4.42Å; Y28-L191 HydrophobicContact CD1-CD2 3.95Å; Y28-L191 HydrophobicContact CE1-CD2 3.52Å; I95-L191 HydrophobicContact CD1-CD1 4.04Å; I95-L191 HydrophobicContact CG2-CD1 4.09Å; V97-L191 HydrophobicContact CG2-CD1 4.36Å; I129-L191 HydrophobicContact CD1-CB 4.48Å; I129-L191 HydrophobicContact CD1-CD1 3.86Å; F187-L191 HydrophobicContact CE1-CD2 3.84Å; F187-L191 HydrophobicContact CZ-CD2 4.02Å; F187-L191 VanDerWaalsContact O-CB 3.29Å; F187-L191 WeakPolarHBondContact O-CB 3.49Å; F187-L191 PolarHBondContact O-N 3.26Å; G188-L191 PolarHBondContact O-N 3.49Å; L191-Y193 VanDerWaalsContact C-N 3.31Å; L191-Y193 PolarHBondContact O-N 3.28Å; L191-F194 PolarHBondContact O-N 3.45Å; L191-F194 VanDerWaalsContact O-N 3.16Å; L191-M195 HydrophobicContact CG-CG 4.46Å; L191-M195 HydrophobicContact CG-SD 4.03Å; L191-M195 WeakPolarHBondContact O-CG 3.44Å; L191-M195 PolarHBondContact O-N 3.03Å
192E81.9Confident77.5Confident84 Ų8452 Ų5239%0.39326%0.258SS..Hα-helixtrans-59.6-39.9175.4-76.6-178.5179.100112.1F63 G188 F194 M195 I196F63-E192 HydrophobicContact CE1-CG 4.39Å; F63-E192 HydrophobicContact CZ-CB 3.94Å; F63-E192 HydrophobicContact CZ-CG 3.89Å; G188-E192 VanDerWaalsContact O-CB 3.24Å; G188-E192 WeakPolarHBondContact O-CB 3.16Å; G188-E192 VanDerWaalsContact O-CG 3.23Å; G188-E192 WeakPolarHBondContact O-CG 3.49Å; G188-E192 PolarHBondContact O-N 3.07Å; E192-F194 PolarHBondContact O-N 3.02Å; E192-M195 WeakPolarHBondContact O-CB 3.36Å; E192-M195 PolarHBondContact O-N 3.37Å; E192-I196 VanDerWaalsContact O-CG1 3.25Å; E192-I196 WeakPolarHBondContact O-CG1 3.44Å; E192-I196 PolarHBondContact O-N 2.8Å
193Y84.3Confident77.7Confident144 Ų14450.6 Ų50.657%0.56526%0.257SS*.Hα-helixtrans-57.3-49.1173.1169.8-93.5000111.5G189 V190 L191 M195 I196 Q197G189-Y193 WeakPolarHBondContact O-CB 3.28Å; G189-Y193 PolarHBondContact O-N 3.26Å; G189-Y193 VanDerWaalsContact O-N 3.1Å; V190-Y193 WeakPolarHBondContact O-CB 3.47Å; V190-Y193 PolarHBondContact O-N 3.21Å; L191-Y193 VanDerWaalsContact C-N 3.31Å; L191-Y193 PolarHBondContact O-N 3.28Å; Y193-M195 VanDerWaalsContact C-N 3.35Å; Y193-M195 PolarHBondContact O-N 3.06Å; Y193-I196 PolarHBondContact O-N 2.99Å; Y193-Q197 PolarHBondContact O-N 2.93Å
194F84.1Confident77.3Confident21 Ų2153.1 Ų53.19%0.09228%0.275CS..Hα-helixtrans-68.5-33.1177.6-75-64000112.8I95 P127 I129 T171 V190 L191 E192 Q197 A198I95-F194 HydrophobicContact CD1-CB 3.77Å; I95-F194 HydrophobicContact CG1-CB 4.23Å; P127-F194 HydrophobicContact CB-CD1 3.37Å; P127-F194 HydrophobicContact CB-CE1 3.55Å; P127-F194 HydrophobicContact CB-CG 4.07Å; P127-F194 HydrophobicContact CB-CZ 4.37Å; P127-F194 HydrophobicContact CG-CB 4.5Å; P127-F194 HydrophobicContact CG-CD1 3.88Å; P127-F194 HydrophobicContact CG-CG 4.41Å; I129-F194 HydrophobicContact CD1-CD2 3.69Å; I129-F194 HydrophobicContact CD1-CE2 4.22Å; I129-F194 HydrophobicContact CG1-CD2 3.84Å; I129-F194 HydrophobicContact CG1-CE2 3.92Å; T171-F194 WeakPolarHBondContact OG1-CZ 3.37Å; V190-F194 HydrophobicContact CG1-CD2 3.93Å; V190-F194 HydrophobicContact CG1-CE2 3.72Å; V190-F194 WeakPolarHBondContact O-CD2 3.45Å; V190-F194 PolarHBondContact O-N 2.9Å; V190-F194 VanDerWaalsContact O-N 3.17Å; L191-F194 PolarHBondContact O-N 3.45Å; L191-F194 VanDerWaalsContact O-N 3.16Å; E192-F194 PolarHBondContact O-N 3.02Å; F194-Q197 PolarHBondContact O-N 3.41Å; F194-A198 WeakPolarHBondContact O-CB 3.17Å; F194-A198 PolarHBondContact O-N 2.83Å
195M81.4Confident77.3Confident0 Ų056.9 Ų56.90%028%0.281CS..Hα-helixtrans-62.9-43.7172.8-70.816967.800111.3I3 A62 F63 L68 I95 L191 E192 Y193 Q197 A198 L199I3-M195 HydrophobicContact CD1-CB 3.6Å; I3-M195 HydrophobicContact CD1-CE 3.99Å; I3-M195 HydrophobicContact CD1-CG 3.86Å; I3-M195 HydrophobicContact CG2-CG 4.42Å; A62-M195 HydrophobicContact CB-CE 3.48Å; A62-M195 VanDerWaalsContact CB-CE 3.48Å; F63-M195 HydrophobicContact CD2-CE 4.4Å; F63-M195 HydrophobicContact CE2-CB 3.95Å; F63-M195 HydrophobicContact CE2-CE 3.85Å; L68-M195 HydrophobicContact CD1-CE 3.43Å; L68-M195 VanDerWaalsContact CD1-CE 3.43Å; L68-M195 HydrophobicContact CD1-SD 4.14Å; I95-M195 HydrophobicContact CD1-CB 4.38Å; I95-M195 HydrophobicContact CD1-CG 3.65Å; L191-M195 HydrophobicContact CG-CG 4.46Å; L191-M195 HydrophobicContact CG-SD 4.03Å; L191-M195 WeakPolarHBondContact O-CG 3.44Å; L191-M195 PolarHBondContact O-N 3.03Å; E192-M195 WeakPolarHBondContact O-CB 3.36Å; E192-M195 PolarHBondContact O-N 3.37Å; Y193-M195 VanDerWaalsContact C-N 3.35Å; Y193-M195 PolarHBondContact O-N 3.06Å; M195-Q197 VanDerWaalsContact C-N 3.33Å; M195-A198 PolarHBondContact O-N 3.06Å; M195-L199 WeakPolarHBondContact O-CB 3.44Å; M195-L199 VanDerWaalsContact O-CG 3.22Å; M195-L199 WeakPolarHBondContact O-CG 3.4Å; M195-L199 PolarHBondContact O-N 3.03Å
196I79.3Confident77Confident78 Ų7856 Ų5640%0.428%0.277SS..Hα-helixtrans-63-42.1174.9-68.7163.3000110.2F63 E192 Y193 L199 N200F63-I196 HydrophobicContact CE1-CD1 4.41Å; F63-I196 HydrophobicContact CE1-CG1 4.45Å; F63-I196 HydrophobicContact CE2-CG1 4.28Å; F63-I196 HydrophobicContact CZ-CD1 4.2Å; F63-I196 HydrophobicContact CZ-CG1 3.93Å; E192-I196 VanDerWaalsContact O-CG1 3.25Å; E192-I196 WeakPolarHBondContact O-CG1 3.44Å; E192-I196 PolarHBondContact O-N 2.8Å; Y193-I196 PolarHBondContact O-N 2.99Å; I196-L199 PolarHBondContact O-N 2.99Å; I196-N200 VanDerWaalsContact O-CB 3.32Å; I196-N200 WeakPolarHBondContact O-CB 3.3Å; I196-N200 PolarHBondContact O-N 3.24Å; I196-N200 PolarHBondContact O-ND2 3.37Å
197Q81.3Confident76Confident67 Ų6755.9 Ų55.931%0.31328%0.281SS..Hα-helixtrans-62.8-45.9176.4-172.7174.9-11.900112Y193 F194 M195 N200 Q201Y193-Q197 PolarHBondContact O-N 2.93Å; F194-Q197 PolarHBondContact O-N 3.41Å; M195-Q197 VanDerWaalsContact C-N 3.33Å; Q197-N200 PolarHBondContact O-N 3.18Å; Q197-Q201 WeakPolarHBondContact O-CG 3.47Å; Q197-Q201 PolarHBondContact O-N 3.4Å
198A82.6Confident74.7Confident5 Ų563 Ų634%0.04131%0.312CS..Hα-helixtrans-62.9-42.2176.700000111.7D94 F194 M195 N200 Q201 K202D94-A198 HydrophobicContact CB-CB 4.19Å; F194-A198 WeakPolarHBondContact O-CB 3.17Å; F194-A198 PolarHBondContact O-N 2.83Å; M195-A198 PolarHBondContact O-N 3.06Å; A198-N200 VanDerWaalsContact C-N 3.35Å; A198-N200 PolarHBondContact O-N 3.14Å; A198-Q201 PolarHBondContact O-N 2.93Å; A198-K202 WeakPolarHBondContact O-CB 3.3Å; A198-K202 WeakPolarHBondContact O-CG 3.45Å; A198-K202 PolarHBondContact O-N 3.47Å
199L81.4Confident73.6Confident21 Ų2171.3 Ų71.311%0.1135%0.349CS..Hα-helixtrans-64.1-39173.8-71.7169.6000112M1 I3 F63 V66 M195 I196 Q201 K202 T203M1-L199 HydrophobicContact CB-CD2 3.86Å; M1-L199 HydrophobicContact SD-CD2 3.91Å; I3-L199 HydrophobicContact CD1-CD1 3.87Å; I3-L199 HydrophobicContact CD1-CD2 4Å; I3-L199 HydrophobicContact CD1-CG 3.66Å; I3-L199 HydrophobicContact CG1-CD2 3.95Å; I3-L199 HydrophobicContact CG1-CG 4.12Å; F63-L199 HydrophobicContact CD2-CD1 4.19Å; V66-L199 HydrophobicContact CG1-CD1 4.25Å; V66-L199 HydrophobicContact CG1-CD2 3.88Å; V66-L199 HydrophobicContact CG2-CD1 4.05Å; V66-L199 HydrophobicContact CG2-CD2 4.33Å; M195-L199 WeakPolarHBondContact O-CB 3.44Å; M195-L199 VanDerWaalsContact O-CG 3.22Å; M195-L199 WeakPolarHBondContact O-CG 3.4Å; M195-L199 PolarHBondContact O-N 3.03Å; I196-L199 PolarHBondContact O-N 2.99Å; L199-Q201 VanDerWaalsContact C-N 3.35Å; L199-K202 PolarHBondContact O-N 3.17Å; L199-T203 VanDerWaalsContact O-CB 3.32Å; L199-T203 WeakPolarHBondContact O-CB 3.34Å; L199-T203 WeakPolarHBondContact O-CG2 3.01Å; L199-T203 PolarHBondContact O-N 3.31Å; L199-T203 PolarHBondContact O-OG1 3.33Å
200N79.1Confident72.1Confident96 Ų9678.2 Ų78.251%0.51336%0.364SS..Hα-helixtrans-66.2-36.6175.4-75-26.4000112I196 Q197 A198 T203 S204I196-N200 VanDerWaalsContact O-CB 3.32Å; I196-N200 WeakPolarHBondContact O-CB 3.3Å; I196-N200 PolarHBondContact O-N 3.24Å; I196-N200 PolarHBondContact O-ND2 3.37Å; Q197-N200 PolarHBondContact O-N 3.18Å; A198-N200 VanDerWaalsContact C-N 3.35Å; A198-N200 PolarHBondContact O-N 3.14Å; N200-T203 VanDerWaalsContact CA-OG1 3.22Å; N200-T203 WeakPolarHBondContact CA-OG1 3.17Å; N200-T203 PolarHBondContact O-OG1 3.32Å; N200-S204 WeakPolarHBondContact O-CB 3.38Å; N200-S204 PolarHBondContact O-N 2.8Å
201Q75.8Confident70.4Confident95 Ų9583.7 Ų83.744%0.44439%0.385SS..Hα-helixtrans-67.5-48.7172.8-72.5176-0.100111.3Q197 A198 L199 T203 S204 E205Q197-Q201 WeakPolarHBondContact O-CG 3.47Å; Q197-Q201 PolarHBondContact O-N 3.4Å; A198-Q201 PolarHBondContact O-N 2.93Å; L199-Q201 VanDerWaalsContact C-N 3.35Å; Q201-T203 VanDerWaalsContact C-N 3.34Å; Q201-T203 PolarHBondContact O-N 3.49Å; Q201-S204 CarbonylContact O-C 3.57Å; Q201-S204 WeakPolarHBondContact O-CA 3.48Å; Q201-S204 WeakPolarHBondContact O-CB 3.49Å; Q201-S204 PolarHBondContact O-N 3.39Å; Q201-S204 VanDerWaalsContact O-N 3.09Å; Q201-E205 WeakPolarHBondContact O-CG 3.29Å; Q201-E205 PolarHBondContact O-N 2.88Å
202K77.8Confident68.6Low48 Ų4892.2 Ų92.221%0.20943%0.427CS..Hα-helixtrans-63.5-36.3177-72.5-171.7-178.1-173.90113.3S2 D94 A198 L199 K206S2-K202 PolarHBondContact O-NZ 3.41Å; D94-K202 VanDerWaalsContact CG-CE 3.42Å; D94-K202 WeakPolarHBondContact OD1-CE 3.31Å; D94-K202 IonicContact OD1-NZ 3.98Å; D94-K202 PolarHBondContact OD1-NZ 2.8Å; D94-K202 WeakPolarHBondContact OD2-CE 3.47Å; D94-K202 IonicContact OD2-NZ 3.42Å; D94-K202 PolarHBondContact OD2-NZ 3.3Å; A198-K202 WeakPolarHBondContact O-CB 3.3Å; A198-K202 WeakPolarHBondContact O-CG 3.45Å; A198-K202 PolarHBondContact O-N 3.47Å; L199-K202 PolarHBondContact O-N 3.17Å; K202-K206 VanDerWaalsContact O-CB 3.25Å; K202-K206 WeakPolarHBondContact O-CB 3.36Å; K202-K206 WeakPolarHBondContact O-CG 3.39Å; K202-K206 PolarHBondContact O-N 3.38Å
203T69.8Low66.8Low41 Ų4191.8 Ų91.825%0.25243%0.433SS..Hα-helixtrans-70.3-37.1172.352.30000111.1M1 L199 N200 Q201 K206 M207M1-T203 HydrophobicContact CE-CG2 3.33Å; M1-T203 HydrophobicContact SD-CG2 3.87Å; L199-T203 VanDerWaalsContact O-CB 3.32Å; L199-T203 WeakPolarHBondContact O-CB 3.34Å; L199-T203 WeakPolarHBondContact O-CG2 3.01Å; L199-T203 PolarHBondContact O-N 3.31Å; L199-T203 PolarHBondContact O-OG1 3.33Å; N200-T203 VanDerWaalsContact CA-OG1 3.22Å; N200-T203 WeakPolarHBondContact CA-OG1 3.17Å; N200-T203 PolarHBondContact O-OG1 3.32Å; Q201-T203 VanDerWaalsContact C-N 3.34Å; Q201-T203 PolarHBondContact O-N 3.49Å; T203-K206 CarbonylContact O-C 3.29Å; T203-K206 PolarHBondContact O-N 3.44Å; T203-M207 WeakPolarHBondContact O-CA 3.41Å; T203-M207 VanDerWaalsContact O-CB 3.23Å; T203-M207 WeakPolarHBondContact O-CB 3.17Å; T203-M207 WeakPolarHBondContact O-CG 3.44Å; T203-M207 PolarHBondContact O-N 2.99Å
204S65.5Low64.7Low56 Ų5692.3 Ų92.339%0.39245%0.445SS..Hα-helixtrans-66.3-41.4174.3-175.90000112.3N200 Q201 M207 K208N200-S204 WeakPolarHBondContact O-CB 3.38Å; N200-S204 PolarHBondContact O-N 2.8Å; Q201-S204 CarbonylContact O-C 3.57Å; Q201-S204 WeakPolarHBondContact O-CA 3.48Å; Q201-S204 WeakPolarHBondContact O-CB 3.49Å; Q201-S204 PolarHBondContact O-N 3.39Å; Q201-S204 VanDerWaalsContact O-N 3.09Å; S204-M207 CarbonylContact O-C 3.59Å; S204-M207 WeakPolarHBondContact O-CA 3.41Å; S204-M207 WeakPolarHBondContact O-CB 3.45Å; S204-M207 PolarHBondContact O-N 3.07Å; S204-K208 WeakPolarHBondContact O-CG 3.44Å; S204-K208 PolarHBondContact O-N 3.3Å
205E64.1Low62.5Low124 Ų12495.9 Ų95.958%0.57947%0.473SS*.Hα-helixtrans-68.7-40.7173.1-72.7-175.8163.700112.1Q201 M207 K208 K209Q201-E205 WeakPolarHBondContact O-CG 3.29Å; Q201-E205 PolarHBondContact O-N 2.88Å; E205-M207 VanDerWaalsContact C-N 3.27Å; E205-M207 PolarHBondContact O-N 3.38Å; E205-K208 WeakPolarHBondContact O-CB 3.48Å; E205-K208 PolarHBondContact O-N 3.47Å; E205-K209 PolarHBondContact O-N 3.37Å
206K58.8Low60.4Low113 Ų113105.9 Ų105.949%0.49152%0.517SS..Hα-helixtrans-64.7-31.2168.5-83.3-175.8173.8-178.20112.2M1 K202 T203 R210M1-K206 HydrophobicContact CE-CD 3.93Å; K202-K206 VanDerWaalsContact O-CB 3.25Å; K202-K206 WeakPolarHBondContact O-CB 3.36Å; K202-K206 WeakPolarHBondContact O-CG 3.39Å; K202-K206 PolarHBondContact O-N 3.38Å; T203-K206 CarbonylContact O-C 3.29Å; T203-K206 PolarHBondContact O-N 3.44Å; K206-R210 WeakPolarHBondContact O-CA 3.42Å; K206-R210 WeakPolarHBondContact O-CB 3.42Å; K206-R210 VanDerWaalsContact O-CG 3.32Å; K206-R210 WeakPolarHBondContact O-CG 3.32Å; K206-R210 PolarHBondContact O-N 3.43Å
207M53Low58.9Low108 Ų108110.9 Ų110.953%0.53254%0.538SS..Hα-helixtrans-75.6-27.1171.9-80.3-169.6-149.700111.9T203 S204 E205 R210 K211T203-M207 WeakPolarHBondContact O-CA 3.41Å; T203-M207 VanDerWaalsContact O-CB 3.23Å; T203-M207 WeakPolarHBondContact O-CB 3.17Å; T203-M207 WeakPolarHBondContact O-CG 3.44Å; T203-M207 PolarHBondContact O-N 2.99Å; S204-M207 CarbonylContact O-C 3.59Å; S204-M207 WeakPolarHBondContact O-CA 3.41Å; S204-M207 WeakPolarHBondContact O-CB 3.45Å; S204-M207 PolarHBondContact O-N 3.07Å; E205-M207 VanDerWaalsContact C-N 3.27Å; E205-M207 PolarHBondContact O-N 3.38Å; M207-R210 CarbonylContact O-C 3.6Å; M207-K211 WeakPolarHBondContact O-CA 3.38Å; M207-K211 WeakPolarHBondContact O-CB 3.48Å; M207-K211 VanDerWaalsContact O-CG 3.23Å; M207-K211 WeakPolarHBondContact O-CG 3.13Å; M207-K211 PolarHBondContact O-N 3.31Å
208K54.1Low57.5Low149 Ų149109.8 Ų109.865%0.64855%0.545SS*.Hα-helixtrans-71.1-41.8168.8-75.8177.9-180179.30110.4S204 E205 K211S204-K208 WeakPolarHBondContact O-CG 3.44Å; S204-K208 PolarHBondContact O-N 3.3Å; E205-K208 WeakPolarHBondContact O-CB 3.48Å; E205-K208 PolarHBondContact O-N 3.47Å; K208-K211 PolarHBondContact O-N 2.79Å
209K51.7Low56.3Low176 Ų176114.9 Ų114.977%0.76557%0.57SS**Hα-helixtrans-68.9-35.4171.7-73.9-177.7175.8177.30112.9E205 M212E205-K209 PolarHBondContact O-N 3.37Å; K209-M212 PolarHBondContact O-N 3.41Å
210R46.3Very low55.3Low179 Ų179121.9 Ų121.968%0.67560%0.595SS**Hα-helixtrans-79.6-15.4171-78.3178.1167175-5.5113.3K206 M207 M212 S213K206-R210 WeakPolarHBondContact O-CA 3.42Å; K206-R210 WeakPolarHBondContact O-CB 3.42Å; K206-R210 VanDerWaalsContact O-CG 3.32Å; K206-R210 WeakPolarHBondContact O-CG 3.32Å; K206-R210 PolarHBondContact O-N 3.43Å; M207-R210 CarbonylContact O-C 3.6Å; R210-M212 PolarHBondContact O-N 3.48Å; R210-S213 CarbonylContact O-C 3.34Å; R210-S213 WeakPolarHBondContact O-CA 3.36Å; R210-S213 PolarHBondContact O-N 3.08Å
211K44.8Very low54.7Low152 Ų152121 Ų12166%0.66159%0.594SS**THydrogen-bonded Turntrans-72.6-7.1169.6-95.8-178.8170.2-165.40112.7M207 K208 S213M207-K211 WeakPolarHBondContact O-CA 3.38Å; M207-K211 WeakPolarHBondContact O-CB 3.48Å; M207-K211 VanDerWaalsContact O-CG 3.23Å; M207-K211 WeakPolarHBondContact O-CG 3.13Å; M207-K211 PolarHBondContact O-N 3.31Å; K208-K211 PolarHBondContact O-N 2.79Å; K211-S213 VanDerWaalsContact C-N 3.33Å
212M43.9Very low54.6Low179 Ų179117.5 Ų117.588%0.88258%0.58SS**THydrogen-bonded Turntrans-83-7.6160.9-132.496.1128.300112.9K209 R210K209-M212 PolarHBondContact O-N 3.41Å; R210-M212 PolarHBondContact O-N 3.48Å
213S43.7Very low54.4Low75 Ų75123.5 Ų123.552%0.52461%0.609SS.*SBendtrans-149.795.6174.850.20000112.4R210 K211R210-S213 CarbonylContact O-C 3.34Å; R210-S213 WeakPolarHBondContact O-CA 3.36Å; R210-S213 PolarHBondContact O-N 3.08Å; K211-S213 VanDerWaalsContact C-N 3.33Å
214N39.5Very low54.5Low155 Ų155125.2 Ų125.283%0.82962%0.616SS**  trans78.3122.8160.4-68-11.1000119.8
215S39.3Very low55Low97 Ų97130 Ų13068%0.67863%0.632SS**  trans-72.6131.6173.862.60000112.2
216F37.4Very low55.4Low209 Ų209132.8 Ų132.892%0.91765%0.645SS**  trans-117.7119.5153-100.3-90.4000108.8G218F216-G218 PolarHBondContact O-N 3.33Å
217H46.6Very low56.2Low184 Ų184129.9 Ų129.985%0.85264%0.638SS**  trans-76.996.2174-76.1-44.8000110
218G52.2Low57.3Low43 Ų43129.8 Ų129.844%0.44364%0.636SS.*  trans-116138158.800000109.2F216 R220F216-G218 PolarHBondContact O-N 3.33Å; G218-R220 PolarHBondContact O-N 3.08Å
219I58.1Low58.4Low113 Ų113132 Ų13258%0.57965%0.646SS**PPolyproline II helixtrans-61.2124.1174.7-58.6174.4000108.1Y597 Y600I219-Y597 HydrophobicContact CG2-CD2 4.45Å; I219-Y600 HydrophobicContact CB-CE1 4.5Å; I219-Y600 HydrophobicContact CD1-CD2 4.15Å; I219-Y600 HydrophobicContact CD1-CE2 4.35Å; I219-Y600 HydrophobicContact CD1-CG 4.43Å
220R59.4Low59.8Low167 Ų167125.6 Ų125.663%0.6362%0.62SS**PPolyproline II helixtrans-81.1150.2-178.6-67.1177.7177.1-157.2-10.1110.5G218G218-R220 PolarHBondContact O-N 3.08Å
221P66.6Low61.6Low77 Ų77119.5 Ų119.550%0.560%0.603SS.*PPolyproline II helixtrans-60.4140.2172.125.4-32.8000110Y597P221-Y597 HydrophobicContact CB-CD1 4.31Å; P221-Y597 HydrophobicContact CB-CE1 3.88Å; P221-Y597 HydrophobicContact CB-CE2 4.14Å
222P74.4Confident63Low22 Ų22118.7 Ų118.714%0.14361%0.61CS.*PPolyproline II helixtrans-64.8143.2177.527.7-34.3000110.6Y590 Q593 L594P222-Y590 HydrophobicContact CB-CD2 4.03Å; P222-Y590 HydrophobicContact CB-CE2 3.97Å; P222-Y590 HydrophobicContact CG-CD2 4.45Å; P222-Y590 HydrophobicContact CG-CE2 4.06Å; P222-Q593 HydrophobicContact CB-CB 3.72Å; P222-Q593 HydrophobicContact CG-CB 4.09Å; P222-L594 HydrophobicContact CG-CB 4Å; P222-L594 HydrophobicContact CG-CD1 4.15Å
223Q72.7Confident64.5Low174 Ų174111.9 Ų111.981%0.81358%0.578SS**PPolyproline II helixtrans-89.4129.5178.8-68.2-178.7-25.900109.5E225 Y590Q223-E225 PolarHBondContact O-N 3.46Å; Q223-Y590 WeakPolarHBondContact O-CD2 3.49Å
224L73.4Confident65.8Low78 Ų78117.6 Ų117.641%0.40859%0.593SS.*  trans-82.6115.4173.4-177.956.7000108.4W585 P586 Y590L224-W585 HydrophobicContact CD1-CZ2 4.26Å; L224-W585 HydrophobicContact CD2-CH2 4.2Å; L224-W585 HydrophobicContact CD2-CZ2 3.62Å; L224-W585 HydrophobicContact CG-CZ2 3.97Å; L224-P586 HydrophobicContact CD1-CB 3.67Å; L224-P586 HydrophobicContact CD1-CG 4.06Å; L224-Y590 HydrophobicContact CB-CD2 4.32Å; L224-Y590 HydrophobicContact CB-CE1 4.4Å; L224-Y590 HydrophobicContact CB-CE2 3.71Å; L224-Y590 HydrophobicContact CD1-CD1 3.83Å; L224-Y590 HydrophobicContact CD1-CD2 4.22Å; L224-Y590 HydrophobicContact CD1-CE1 3.85Å; L224-Y590 HydrophobicContact CD1-CE2 4.24Å; L224-Y590 HydrophobicContact CD1-CG 4.02Å
225E75.5Confident67.2Low156 Ų156114.6 Ų114.673%0.72959%0.589SS**PPolyproline II helixtrans-72.5158.2174.7-63.6-177.5171.800110.8Q223 W585Q223-E225 PolarHBondContact O-N 3.46Å; E225-W585 PolarHBondContact O-NE1 2.99Å
226Q72.4Confident69.1Low182 Ų182113 Ų11385%0.8557%0.571SS**PPolyproline II helixtrans-65.9150171.8-70.3-173.1-3.100110.2
227P75.4Confident71.2Confident53 Ų53106.3 Ų106.334%0.34456%0.555SS.*PPolyproline II helixtrans-60.6154.1173.726.7-34000111.1T558 W585P227-T558 HydrophobicContact CB-CG2 3.61Å; P227-T558 HydrophobicContact CG-CG2 4.2Å; P227-W585 HydrophobicContact CB-CB 4.19Å; P227-W585 HydrophobicContact CB-CD2 4.2Å; P227-W585 HydrophobicContact CB-CG 3.83Å
228E74.9Confident73.2Confident105 Ų105100.2 Ų100.249%0.49153%0.533SS..PPolyproline II helixtrans-58.2144.5175.2-169.1173.8-168.200110.6M230 H554 H583E228-M230 PolarHBondContact O-N 2.59Å; E228-H554 IonicContact OE2-CE1 3.35Å; E228-H554 IonicContact OE2-ND1 2.79Å; E228-H583 IonicContact OE2-CD2 3.98Å; E228-H583 PolarHBondContact OE2-CD2 3.29Å; E228-H583 IonicContact OE2-CG 3.83Å
229K77.2Confident74.9Confident195 Ų195102.5 Ų102.585%0.84853%0.532SS*.PPolyproline II helixtrans-66.4129.1179-72.1-176.3179.4179.50109.7
230M82.4Confident76.5Confident43 Ų4397.5 Ų97.521%0.21251%0.506CS..PPolyproline II helixtrans-60.8145.7174.9-69.4-64110.200111.4E228 V232 W551 H554 T558E228-M230 PolarHBondContact O-N 2.59Å; M230-V232 PolarHBondContact O-N 2.72Å; M230-W551 HydrophobicContact SD-CZ2 4.3Å; M230-H554 HydrophobicContact CE-CB 3.92Å; M230-H554 HydrophobicContact SD-CB 3.89Å; M230-T558 HydrophobicContact CE-CG2 4.24Å; M230-T558 WeakPolarHBondContact CE-OG1 3.46Å
231P82.8Confident77.9Confident50 Ų5092 Ų9233%0.32549%0.489SS..PPolyproline II helixtrans-54.5137.4169.9-23.933000111.4T550P231-T550 HydrophobicContact CG-CG2 4.39Å
232V76.1Confident79Confident135 Ų13591 Ų9182%0.81848%0.484SS*.PPolyproline II helixtrans-99.1122.2178.1-1790000109.2M230M230-V232 PolarHBondContact O-N 2.72Å
233L74.7Confident79.9Confident37 Ų3791.7 Ų91.719%0.19449%0.487CS..PPolyproline II helixtrans-69.4131.6170.2-80.3167000110.5E511 L512 I515 C547L233-E511 HydrophobicContact CD1-CB 4.32Å; L233-L512 HydrophobicContact CD1-CB 3.98Å; L233-L512 HydrophobicContact CD1-CD1 3.95Å; L233-I515 HydrophobicContact CD1-CD1 3.34Å; L233-I515 HydrophobicContact CD1-CG1 4.43Å; L233-I515 HydrophobicContact CG-CD1 4.03Å; L233-C547 HydrophobicContact CD2-CB 3.64Å
234K71.4Confident80.8Confident194 Ų19483.9 Ų83.984%0.84345%0.45SS*.PPolyproline II helixtrans-83.6123.8168.7-68.1-179.1-178.1175.10108.3E236K234-E236 PolarHBondContact O-N 2.97Å
235A67.8Low81.7Confident92 Ų9281.7 Ų81.776%0.7644%0.439SS*.PPolyproline II helixtrans-67.5124.117300000109.6
236E79Confident82.5Confident63 Ų6377.9 Ų77.929%0.29442%0.423SS..PPolyproline II helixtrans-69.7151.5168-165170.6-177.900109.5K234 S504 R505 H508K234-E236 PolarHBondContact O-N 2.97Å; E236-S504 PolarHBondContact OE1-OG 2.89Å; E236-R505 PolarHBondContact O-NH1 3.29Å; E236-R505 WeakPolarHBondContact OE2-CA 3.48Å; E236-R505 PolarHBondContact OE2-N 2.94Å; E236-H508 IonicContact OE2-CE1 3.66Å; E236-H508 PolarHBondContact OE2-CE1 2.78Å; E236-H508 IonicContact OE2-CG 3.62Å; E236-H508 IonicContact OE2-ND1 3.53Å; E236-H508 PolarHBondContact OE2-ND1 3.24Å
237A82.9Confident83.6Confident69 Ų6969.4 Ų69.457%0.5738%0.384SS*.PPolyproline II helixtrans-82.9157.7175.300000110.8R505A237-R505 WeakPolarHBondContact O-CD 3.44Å; A237-R505 PolarHBondContact O-NH1 3.44Å
238S87.6Confident84.4Confident57 Ų5767.6 Ų67.640%0.39937%0.371SS..PPolyproline II helixtrans-78.4135.1176.1-177.10000111.2Y240 D481 R505S238-Y240 WeakPolarHBondContact OG-CB 3.31Å; S238-Y240 PolarHBondContact OG-N 2.89Å; S238-D481 WeakPolarHBondContact CB-OD2 3.35Å; S238-D481 PolarHBondContact OG-OD2 3.03Å; S238-R505 VanDerWaalsContact CA-CZ 3.41Å
239H88.6Confident85.1Confident91 Ų9169 Ų6942%0.42138%0.376SS..  trans-101.13.5171.1-61.7-72.6000113N241 S242 D243H239-N241 PolarHBondContact O-N 3.5Å; H239-S242 CarbonylContact O-C 3.58Å; H239-S242 WeakPolarHBondContact O-CA 3.45Å; H239-S242 VanDerWaalsContact O-CB 3.31Å; H239-S242 WeakPolarHBondContact O-CB 3.42Å; H239-S242 PolarHBondContact O-N 2.53Å; H239-D243 PolarHBondContact O-N 2.96Å
240Y91.1Very high85.6Confident7 Ų763.5 Ų63.53%0.02736%0.361CS..Hα-helixtrans-49.9-54.3-171.1-176.1-94.1000115.8S238 S242 D243 L244 L410 R441 Y479 D481S238-Y240 WeakPolarHBondContact OG-CB 3.31Å; S238-Y240 PolarHBondContact OG-N 2.89Å; Y240-S242 VanDerWaalsContact C-N 3.28Å; Y240-S242 PolarHBondContact O-N 3.42Å; Y240-D243 PolarHBondContact O-N 2.74Å; Y240-L244 HydrophobicContact CD1-CD1 4.2Å; Y240-L244 HydrophobicContact CE1-CD1 3.61Å; Y240-L244 HydrophobicContact CE2-CD1 4.5Å; Y240-L244 WeakPolarHBondContact O-CG 3.49Å; Y240-L244 PolarHBondContact O-N 3.47Å; Y240-L244 VanDerWaalsContact O-N 3.14Å; Y240-L410 WeakPolarHBondContact OH-CD1 3.44Å; Y240-R441 VanDerWaalsContact CD2-CZ 3.47Å; Y240-Y479 PolarHBondContact OH-O 3.3Å; Y240-D481 HydrophobicContact CD2-CB 3.72Å; Y240-D481 HydrophobicContact CG-CB 3.92Å
241N88.3Confident85.7Confident51 Ų5164 Ų6427%0.27337%0.369SS..Hα-helixtrans-69.1-30.7179.3-65.3-35.3000112H239 N245H239-N241 PolarHBondContact O-N 3.5Å; N241-N245 VanDerWaalsContact O-CB 3.24Å; N241-N245 WeakPolarHBondContact O-CB 3.41Å; N241-N245 PolarHBondContact O-N 2.98Å
242S90.4Very high85.9Confident57 Ų5764.9 Ų64.940%0.39937%0.368SS..Hα-helixtrans-68.6-41.9176.5-170.20000110.9H239 Y240 N245 N246H239-S242 CarbonylContact O-C 3.58Å; H239-S242 WeakPolarHBondContact O-CA 3.45Å; H239-S242 VanDerWaalsContact O-CB 3.31Å; H239-S242 WeakPolarHBondContact O-CB 3.42Å; H239-S242 PolarHBondContact O-N 2.53Å; Y240-S242 VanDerWaalsContact C-N 3.28Å; Y240-S242 PolarHBondContact O-N 3.42Å; S242-N245 PolarHBondContact O-N 3.21Å; S242-N246 WeakPolarHBondContact O-CB 3.48Å; S242-N246 PolarHBondContact O-N 3.47Å; S242-N246 PolarHBondContact O-ND2 2.87Å
243D93.3Very high86.5Confident37 Ų3760.2 Ų60.220%0.19834%0.341CS..Hα-helixtrans-65.8-43.5-179.5-65.9-11000111.5H239 Y240 N246 L247 A440 R441H239-D243 PolarHBondContact O-N 2.96Å; Y240-D243 PolarHBondContact O-N 2.74Å; D243-N246 PolarHBondContact O-N 3.41Å; D243-L247 PolarHBondContact O-N 3.24Å; D243-A440 WeakPolarHBondContact CB-O 3.46Å; D243-R441 IonicContact OD2-CZ 3.85Å; D243-R441 IonicContact OD2-NE 2.66Å; D243-R441 IonicContact OD2-NH1 2.68Å; D243-R441 PolarHBondContact OD2-NH1 3Å
244L92.1Very high87.4Confident9 Ų960 Ų605%0.04734%0.341CS..Hα-helixtrans-64.1-44.4172.7-65.9-178.1000111.1Y240 N246 L247 L248 Y348 L410 I437Y240-L244 HydrophobicContact CD1-CD1 4.2Å; Y240-L244 HydrophobicContact CE1-CD1 3.61Å; Y240-L244 HydrophobicContact CE2-CD1 4.5Å; Y240-L244 WeakPolarHBondContact O-CG 3.49Å; Y240-L244 PolarHBondContact O-N 3.47Å; Y240-L244 VanDerWaalsContact O-N 3.14Å; L244-N246 VanDerWaalsContact C-N 3.3Å; L244-N246 PolarHBondContact O-N 3.2Å; L244-L247 VanDerWaalsContact O-CB 3.29Å; L244-L247 WeakPolarHBondContact O-CB 3.16Å; L244-L247 PolarHBondContact O-N 3.16Å; L244-L247 VanDerWaalsContact O-N 3.15Å; L244-L248 PolarHBondContact O-N 2.94Å; L244-Y348 HydrophobicContact CB-CD1 4.45Å; L244-Y348 WeakPolarHBondContact CB-O 3.44Å; L244-Y348 WeakPolarHBondContact O-CD1 3.26Å; L244-L410 HydrophobicContact CD1-CD1 4.1Å; L244-I437 HydrophobicContact CD2-CD1 4.15Å
245N91.3Very high88.5Confident33 Ų3352.6 Ų52.618%0.17631%0.311CS..Hα-helixtrans-60.6-40.8175.8-166.234.3000111.9N241 S242 L247 L248 F249N241-N245 VanDerWaalsContact O-CB 3.24Å; N241-N245 WeakPolarHBondContact O-CB 3.41Å; N241-N245 PolarHBondContact O-N 2.98Å; S242-N245 PolarHBondContact O-N 3.21Å; N245-L247 VanDerWaalsContact C-N 3.32Å; N245-L247 PolarHBondContact O-N 3.45Å; N245-L248 WeakPolarHBondContact O-CB 3.42Å; N245-L248 PolarHBondContact O-N 3.18Å; N245-L248 VanDerWaalsContact O-N 3.15Å; N245-F249 WeakPolarHBondContact O-CD2 3.46Å; N245-F249 PolarHBondContact O-N 2.93Å; N245-F249 WeakPolarHBondContact OD1-CE2 3.28Å
246N93.3Very high89.8Confident75 Ų7548.2 Ų48.240%0.40128%0.275SS..Hα-helixtrans-63.7-35.7175.3-72.5-20.2000112.3S242 D243 L244 L248 F249 C250S242-N246 WeakPolarHBondContact O-CB 3.48Å; S242-N246 PolarHBondContact O-N 3.47Å; S242-N246 PolarHBondContact O-ND2 2.87Å; D243-N246 PolarHBondContact O-N 3.41Å; L244-N246 VanDerWaalsContact C-N 3.3Å; L244-N246 PolarHBondContact O-N 3.2Å; N246-L248 VanDerWaalsContact C-N 3.28Å; N246-L248 PolarHBondContact O-N 3.38Å; N246-F249 PolarHBondContact O-N 3.48Å; N246-F249 VanDerWaalsContact O-N 3.12Å; N246-C250 WeakPolarHBondContact O-CB 3.29Å; N246-C250 PolarHBondContact O-N 3.24Å; N246-C250 PolarHBondContact O-SG 2.97Å
247L94.3Very high90.6Very high5 Ų545.3 Ų45.33%0.02626%0.262CS..Hα-helixtrans-58.1-40.4173.1175.869.1000111.7D243 L244 N245 F249 C251 Q252 V273 Y348 A436 V439 A440D243-L247 PolarHBondContact O-N 3.24Å; L244-L247 VanDerWaalsContact O-CB 3.29Å; L244-L247 WeakPolarHBondContact O-CB 3.16Å; L244-L247 PolarHBondContact O-N 3.16Å; L244-L247 VanDerWaalsContact O-N 3.15Å; N245-L247 VanDerWaalsContact C-N 3.32Å; N245-L247 PolarHBondContact O-N 3.45Å; L247-F249 VanDerWaalsContact C-N 3.34Å; L247-F249 PolarHBondContact O-N 3.44Å; L247-C251 PolarHBondContact O-N 3.26Å; L247-Q252 WeakPolarHBondContact CD1-O 3.31Å; L247-V273 HydrophobicContact CD2-CG2 4.41Å; L247-Y348 HydrophobicContact CD2-CE1 4.39Å; L247-A436 HydrophobicContact CD2-CB 4.18Å; L247-A436 WeakPolarHBondContact CD2-O 3.47Å; L247-V439 HydrophobicContact CD1-CG2 4.07Å; L247-A440 HydrophobicContact CB-CB 3.92Å; L247-A440 HydrophobicContact CD1-CB 4.27Å; L247-A440 HydrophobicContact CD2-CB 4.1Å; L247-A440 HydrophobicContact CG-CB 4.31Å
248L93.5Very high91.3Very high15 Ų1542 Ų428%0.07923%0.234CC..Hα-helixtrans-63.4-38.3175.1-177.664.9000112L244 N245 N246 V267 E268 L344 Y348L244-L248 PolarHBondContact O-N 2.94Å; N245-L248 WeakPolarHBondContact O-CB 3.42Å; N245-L248 PolarHBondContact O-N 3.18Å; N245-L248 VanDerWaalsContact O-N 3.15Å; N246-L248 VanDerWaalsContact C-N 3.28Å; N246-L248 PolarHBondContact O-N 3.38Å; L248-V267 HydrophobicContact CD1-CG2 4.43Å; L248-E268 VanDerWaalsContact CD1-O 3.26Å; L248-E268 WeakPolarHBondContact CD1-O 3.39Å; L248-L344 HydrophobicContact CD1-CB 4.47Å; L248-L344 HydrophobicContact CD1-CD1 4.46Å; L248-L344 HydrophobicContact CD2-CB 3.98Å; L248-Y348 HydrophobicContact CB-CD1 3.86Å; L248-Y348 HydrophobicContact CB-CD2 4.35Å; L248-Y348 HydrophobicContact CB-CE1 4.05Å; L248-Y348 HydrophobicContact CB-CG 3.96Å; L248-Y348 HydrophobicContact CD1-CD2 4.24Å; L248-Y348 HydrophobicContact CD1-CE1 4.48Å; L248-Y348 HydrophobicContact CD1-CE2 3.88Å; L248-Y348 HydrophobicContact CD2-CD2 3.96Å; L248-Y348 HydrophobicContact CD2-CE2 4.42Å; L248-Y348 HydrophobicContact CD2-CG 4.14Å; L248-Y348 HydrophobicContact CG-CD2 4.42Å; L248-Y348 HydrophobicContact CG-CG 4.49Å
249F90Very high91.6Very high133 Ų13341.1 Ų41.158%0.58322%0.222SC*.Hα-helixtrans-78.8-33-179.9-71.5-69.1000114.1N245 N246 L247 C251 R345N245-F249 WeakPolarHBondContact O-CD2 3.46Å; N245-F249 PolarHBondContact O-N 2.93Å; N245-F249 WeakPolarHBondContact OD1-CE2 3.28Å; N246-F249 PolarHBondContact O-N 3.48Å; N246-F249 VanDerWaalsContact O-N 3.12Å; L247-F249 VanDerWaalsContact C-N 3.34Å; L247-F249 PolarHBondContact O-N 3.44Å; F249-C251 VanDerWaalsContact C-N 3.33Å; F249-R345 HydrophobicContact CZ-CG 4.5Å
250C87.3Confident91.9Very high80 Ų8038.3 Ų38.354%0.54121%0.211SC..Hα-helixtrans-81.6-13.7-176.8-64.10000113.1N246 Q252N246-C250 WeakPolarHBondContact O-CB 3.29Å; N246-C250 PolarHBondContact O-N 3.24Å; N246-C250 PolarHBondContact O-SG 2.97Å; C250-Q252 HydrophobicContact CB-CG 4.27Å; C250-Q252 PolarHBondContact O-N 2.66Å; C250-Q252 VanDerWaalsContact O-N 3.13Å
251C84.1Confident91.9Very high54 Ų5440.8 Ų40.837%0.36523%0.227SC..THydrogen-bonded Turntrans53.432.9178.3-59.80000114L247 F249 V254 E268L247-C251 PolarHBondContact O-N 3.26Å; F249-C251 VanDerWaalsContact C-N 3.33Å; C251-V254 HydrophobicContact CB-CG2 3.97Å; C251-V254 WeakPolarHBondContact O-CG2 3.22Å; C251-E268 WeakPolarHBondContact CB-OE2 3.37Å; C251-E268 PolarHBondContact SG-OE2 3.38Å
252Q86.4Confident92Very high68 Ų6845 Ų4532%0.31825%0.25SC..THydrogen-bonded Turntrans-88.5134.8177.2-69.7-175.5-11.800110.8L247 C250 V254 H270 V439L247-Q252 WeakPolarHBondContact CD1-O 3.31Å; C250-Q252 HydrophobicContact CB-CG 4.27Å; C250-Q252 PolarHBondContact O-N 2.66Å; C250-Q252 VanDerWaalsContact O-N 3.13Å; Q252-V254 VanDerWaalsContact C-N 3.29Å; Q252-V254 PolarHBondContact O-N 2.8Å; Q252-H270 PolarHBondContact O-NE2 2.83Å; Q252-V439 HydrophobicContact CB-CG2 4.36Å
253C90.1Very high91.9Very high38 Ų3845.1 Ų45.126%0.25725%0.246SC..THydrogen-bonded Turntrans63.329.5-178.7-51.60000114.3D255 H270 R435 A436C253-D255 PolarHBondContact O-N 3.33Å; C253-H270 PolarHBondContact O-CD2 3.09Å; C253-H270 VanDerWaalsContact O-CD2 3.29Å; C253-R435 HydrophobicContact CB-CB 4.48Å; C253-A436 HydrophobicContact CB-CB 4.15Å
254V92.8Very high91.8Very high31 Ų3150.6 Ų50.619%0.18827%0.268CS..  trans-58.4126.5175.1171.80000110.3C251 Q252 V256 V257 E268 P326C251-V254 HydrophobicContact CB-CG2 3.97Å; C251-V254 WeakPolarHBondContact O-CG2 3.22Å; Q252-V254 VanDerWaalsContact C-N 3.29Å; Q252-V254 PolarHBondContact O-N 2.8Å; V254-V256 WeakPolarHBondContact CG1-O 3.35Å; V254-V257 HydrophobicContact CG1-CG2 3.95Å; V254-E268 HydrophobicContact CB-CB 4.44Å; V254-E268 HydrophobicContact CG1-CB 3.76Å; V254-E268 HydrophobicContact CG1-CG 4.16Å; V254-E268 HydrophobicContact CG2-CB 3.76Å; V254-P326 HydrophobicContact CG1-CB 4.19Å
255D93.7Very high91.8Very high39 Ų3954.9 Ų54.921%0.20929%0.288CS..  trans-125.4-0.1179.568.1-5.6000112.8C253 A269 H270 K271 L327C253-D255 PolarHBondContact O-N 3.33Å; D255-A269 PolarHBondContact N-O 3.19Å; D255-H270 WeakPolarHBondContact OD1-CA 3.3Å; D255-K271 WeakPolarHBondContact O-CE 3.5Å; D255-K271 PolarHBondContact O-NZ 3.23Å; D255-K271 WeakPolarHBondContact OD1-CG 3.45Å; D255-K271 PolarHBondContact OD1-N 2.86Å; D255-K271 VanDerWaalsContact OD2-CB 3.29Å; D255-K271 WeakPolarHBondContact OD2-CB 3.27Å; D255-K271 WeakPolarHBondContact OD2-CD 3.15Å; D255-K271 WeakPolarHBondContact OD2-CG 3.21Å; D255-K271 PolarHBondContact OD2-N 3.29Å; D255-L327 PolarHBondContact O-N 3.41Å
256V95.6Very high92Very high0 Ų055.4 Ų55.40%029%0.292CS..EExtended strand (participates in β ladder)trans-147.1139.6172.958.70000111.6V254 F258 A269 K271 L274 F285 L327 V329V254-V256 WeakPolarHBondContact CG1-O 3.35Å; V256-F258 HydrophobicContact CG1-CE2 4.42Å; V256-F258 HydrophobicContact CG2-CE2 4.12Å; V256-F258 HydrophobicContact CG2-CZ 4.36Å; V256-A269 VanDerWaalsContact CG1-C 3.45Å; V256-A269 HydrophobicContact CG1-CB 3.9Å; V256-A269 VanDerWaalsContact CG1-O 3.31Å; V256-A269 WeakPolarHBondContact CG1-O 3.16Å; V256-A269 PolarHBondContact N-O 3.22Å; V256-A269 PolarHBondContact O-N 3.28Å; V256-K271 HydrophobicContact CB-CG 4.13Å; V256-K271 HydrophobicContact CG1-CG 4.11Å; V256-L274 HydrophobicContact CG1-CD1 4.16Å; V256-F285 HydrophobicContact CB-CZ 4.34Å; V256-F285 HydrophobicContact CG1-CZ 4.25Å; V256-F285 HydrophobicContact CG2-CE1 3.88Å; V256-F285 HydrophobicContact CG2-CZ 3.88Å; V256-L327 CarbonylContact C-O 3.56Å; V256-L327 VanDerWaalsContact CA-O 3.28Å; V256-L327 WeakPolarHBondContact CA-O 3.44Å; V256-L327 HydrophobicContact CB-CB 4.44Å; V256-L327 HydrophobicContact CG2-CB 4.44Å; V256-L327 WeakPolarHBondContact CG2-O 3.36Å; V256-V329 HydrophobicContact CG2-CB 4.49Å; V256-V329 HydrophobicContact CG2-CG2 3.64Å
257V96.3Very high92Very high3 Ų352.8 Ų52.82%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-128.6133.2176-174.90000109.9V254 Y259 E265 E268 P326 L327 V329V254-V257 HydrophobicContact CG1-CG2 3.95Å; V257-Y259 HydrophobicContact CB-CE2 3.86Å; V257-Y259 HydrophobicContact CG1-CD2 4.36Å; V257-Y259 HydrophobicContact CG1-CE2 3.63Å; V257-E265 HydrophobicContact CG1-CG 3.54Å; V257-E268 HydrophobicContact CG1-CG 4.31Å; V257-E268 HydrophobicContact CG2-CG 4.05Å; V257-P326 HydrophobicContact CG2-CB 3.92Å; V257-P326 HydrophobicContact CG2-CG 3.8Å; V257-L327 PolarHBondContact N-O 2.83Å; V257-V329 PolarHBondContact O-N 3.36Å
258F96.5Very high92.1Very high0 Ų055.2 Ų55.20%029%0.29CS..EExtended strand (participates in β ladder)trans-97.4135.1178.8-68.2-92.2000111.6V256 V266 V267 A269 L274 F281 F306 V329 V331 L340 L344V256-F258 HydrophobicContact CG1-CE2 4.42Å; V256-F258 HydrophobicContact CG2-CE2 4.12Å; V256-F258 HydrophobicContact CG2-CZ 4.36Å; F258-V266 WeakPolarHBondContact O-CB 3.4Å; F258-V266 PolarHBondContact O-N 2.81Å; F258-V267 HydrophobicContact CB-CG1 4.04Å; F258-V267 HydrophobicContact CD2-CG1 4.13Å; F258-V267 HydrophobicContact CG-CG1 4.42Å; F258-V267 PolarHBondContact N-O 3.29Å; F258-V267 PolarHBondContact O-N 2.87Å; F258-A269 HydrophobicContact CD2-CB 4.48Å; F258-A269 HydrophobicContact CE2-CB 4.05Å; F258-L274 HydrophobicContact CE2-CD1 3.85Å; F258-L274 HydrophobicContact CZ-CD1 3.84Å; F258-F281 HydrophobicContact CE1-CE1 4.24Å; F258-F281 AromaticContact CZ-CE1 3.94Å; F258-F281 HydrophobicContact CZ-CE1 3.94Å; F258-F281 HydrophobicContact CZ-CZ 4.49Å; F258-F306 HydrophobicContact CD1-CD1 4.46Å; F258-F306 HydrophobicContact CD1-CE1 4.24Å; F258-F306 HydrophobicContact CE1-CD1 4.07Å; F258-F306 AromaticContact CE1-CE1 3.78Å; F258-F306 HydrophobicContact CE1-CE1 3.78Å; F258-V329 CarbonylContact C-O 3.52Å; F258-V329 VanDerWaalsContact CA-O 3.3Å; F258-V329 WeakPolarHBondContact CA-O 3.37Å; F258-V329 HydrophobicContact CD1-CB 3.73Å; F258-V329 HydrophobicContact CD1-CG1 3.64Å; F258-V329 HydrophobicContact CE1-CB 3.87Å; F258-V329 HydrophobicContact CE1-CG1 3.58Å; F258-V329 HydrophobicContact CE1-CG2 4.37Å; F258-V329 HydrophobicContact CG-CB 4.43Å; F258-V331 HydrophobicContact CB-CG2 4.29Å; F258-V331 HydrophobicContact CD1-CG2 3.84Å; F258-L340 HydrophobicContact CB-CD2 3.53Å; F258-L340 HydrophobicContact CD1-CD2 3.82Å; F258-L340 HydrophobicContact CD2-CD2 4.22Å; F258-L340 HydrophobicContact CG-CD2 3.6Å; F258-L344 HydrophobicContact CD2-CD1 4.42Å; F258-L344 HydrophobicContact CE2-CD1 4.39Å
259Y95.8Very high92.3Very high37 Ų3754.5 Ų54.515%0.14529%0.286CS..EExtended strand (participates in β ladder)trans-120.1149.4178.6-65.2-94.7000110.3V257 K264 E265 R328 V329 V331V257-Y259 HydrophobicContact CB-CE2 3.86Å; V257-Y259 HydrophobicContact CG1-CD2 4.36Å; V257-Y259 HydrophobicContact CG1-CE2 3.63Å; Y259-K264 WeakPolarHBondContact CA-O 3.4Å; Y259-E265 HydrophobicContact CD1-CB 4.11Å; Y259-E265 HydrophobicContact CE1-CB 3.74Å; Y259-E265 HydrophobicContact CE1-CG 4.18Å; Y259-E265 PolarHBondContact OH-OE2 3.16Å; Y259-R328 HydrophobicContact CD2-CB 4.24Å; Y259-R328 HydrophobicContact CE2-CB 3.96Å; Y259-R328 HydrophobicContact CE2-CG 3.84Å; Y259-V329 PolarHBondContact N-O 2.83Å; Y259-V331 PolarHBondContact O-N 2.92Å
260N94.3Very high92.5Very high33 Ų3348.2 Ų48.218%0.17626%0.258CS..  trans-75.9172.9169.977.50.7000111.1N262 L263 K264 V266 C337N260-N262 PolarHBondContact O-N 3.01Å; N260-N262 VanDerWaalsContact O-N 3.08Å; N260-N262 VanDerWaalsContact OD1-C 3.22Å; N260-N262 WeakPolarHBondContact OD1-CA 3Å; N260-N262 WeakPolarHBondContact OD1-CB 3.5Å; N260-N262 PolarHBondContact OD1-N 3.41Å; N260-L263 PolarHBondContact O-N 2.98Å; N260-L263 PolarHBondContact OD1-N 3.3Å; N260-K264 PolarHBondContact N-O 2.97Å; N260-K264 WeakPolarHBondContact OD1-CB 3.12Å; N260-K264 PolarHBondContact OD1-N 3.48Å; N260-K264 PolarHBondContact OD1-O 3.47Å; N260-V266 HydrophobicContact CB-CG2 3.91Å; N260-C337 VanDerWaalsContact CA-SG 3.59Å; N260-C337 VanDerWaalsContact CB-SG 3.53Å
261P90.5Very high92.9Very high58 Ų5846.4 Ų46.438%0.37724%0.241SC..THydrogen-bonded Turntrans-58.6-22.7177.8-26.836.1000114.4L263 V331P261-L263 VanDerWaalsContact C-N 3.28Å; P261-V331 VanDerWaalsContact CD-O 3.26Å; P261-V331 WeakPolarHBondContact CD-O 3.48Å; P261-V331 VanDerWaalsContact CG-O 3.32Å; P261-V331 WeakPolarHBondContact CG-O 3.45Å
262N91.1Very high93.4Very high139 Ų13944 Ų4474%0.74323%0.225SC*.THydrogen-bonded Turntrans-90.511.7178.1-58-16.7000112.6N260 K264N260-N262 PolarHBondContact O-N 3.01Å; N260-N262 VanDerWaalsContact O-N 3.08Å; N260-N262 VanDerWaalsContact OD1-C 3.22Å; N260-N262 WeakPolarHBondContact OD1-CA 3Å; N260-N262 WeakPolarHBondContact OD1-CB 3.5Å; N260-N262 PolarHBondContact OD1-N 3.41Å; N262-K264 PolarHBondContact O-N 3.46Å
263L87.7Confident93.8Very high60 Ų6041 Ų4131%0.31421%0.211SC..SBendtrans61.924.4177.7-52.9171.2000113.8N260 P261 F314 I330N260-L263 PolarHBondContact O-N 2.98Å; N260-L263 PolarHBondContact OD1-N 3.3Å; P261-L263 VanDerWaalsContact C-N 3.28Å; L263-F314 HydrophobicContact CB-CE1 3.97Å; L263-F314 HydrophobicContact CB-CZ 3.72Å; L263-F314 HydrophobicContact CD1-CE1 4.4Å; L263-F314 HydrophobicContact CD1-CE2 3.78Å; L263-F314 HydrophobicContact CD1-CZ 3.33Å; L263-F314 HydrophobicContact CG-CZ 4.04Å; L263-I330 HydrophobicContact CD2-CD1 3.67Å; L263-I330 HydrophobicContact CD2-CG1 4.02Å
264K91.6Very high94Very high152 Ų15239.2 Ų39.266%0.66120%0.199SC*.  trans-86.2132.1166.4-172.1-176.2176.7-177.90109.3Y259 N260 N262Y259-K264 WeakPolarHBondContact CA-O 3.4Å; N260-K264 PolarHBondContact N-O 2.97Å; N260-K264 WeakPolarHBondContact OD1-CB 3.12Å; N260-K264 PolarHBondContact OD1-N 3.48Å; N260-K264 PolarHBondContact OD1-O 3.47Å; N262-K264 PolarHBondContact O-N 3.46Å
265E92.9Very high94Very high100 Ų10038 Ų3847%0.46719%0.192SC..EExtended strand (participates in β ladder)trans-60.7139.9175.2-168.1170.8111.500111.5V257 Y259V257-E265 HydrophobicContact CG1-CG 3.54Å; Y259-E265 HydrophobicContact CD1-CB 4.11Å; Y259-E265 HydrophobicContact CE1-CB 3.74Å; Y259-E265 HydrophobicContact CE1-CG 4.18Å; Y259-E265 PolarHBondContact OH-OE2 3.16Å
266V93.4Very high93.9Very high43 Ų4336.7 Ų36.726%0.26119%0.186SC..EExtended strand (participates in β ladder)trans-117.7-55.2-175.7-178.50000110.8F258 N260 L340F258-V266 WeakPolarHBondContact O-CB 3.4Å; F258-V266 PolarHBondContact O-N 2.81Å; N260-V266 HydrophobicContact CB-CG2 3.91Å; V266-L340 HydrophobicContact CG1-CB 4.4Å
267V95.1Very high93.5Very high20 Ų2037.6 Ų37.612%0.12119%0.192CC..EExtended strand (participates in β ladder)trans-161.2142.6-175.765.10000111.4L248 F258 L340 L344L248-V267 HydrophobicContact CD1-CG2 4.43Å; F258-V267 HydrophobicContact CB-CG1 4.04Å; F258-V267 HydrophobicContact CD2-CG1 4.13Å; F258-V267 HydrophobicContact CG-CG1 4.42Å; F258-V267 PolarHBondContact N-O 3.29Å; F258-V267 PolarHBondContact O-N 2.87Å; V267-L340 HydrophobicContact CG1-CD2 3.7Å; V267-L340 HydrophobicContact CG1-CG 3.87Å; V267-L344 HydrophobicContact CB-CD1 4.32Å; V267-L344 HydrophobicContact CG1-CD1 3.46Å; V267-L344 VanDerWaalsContact CG1-CD1 3.46Å; V267-L344 HydrophobicContact CG1-CG 4.4Å; V267-L344 HydrophobicContact CG2-CD1 3.87Å
268E95.8Very high93.2Very high56 Ų5637.6 Ų37.626%0.26219%0.192SC..EExtended strand (participates in β ladder)trans-92148.9173.4-62-172.6123.200110.9L248 C251 V254 V257L248-E268 VanDerWaalsContact CD1-O 3.26Å; L248-E268 WeakPolarHBondContact CD1-O 3.39Å; C251-E268 WeakPolarHBondContact CB-OE2 3.37Å; C251-E268 PolarHBondContact SG-OE2 3.38Å; V254-E268 HydrophobicContact CB-CB 4.44Å; V254-E268 HydrophobicContact CG1-CB 3.76Å; V254-E268 HydrophobicContact CG1-CG 4.16Å; V254-E268 HydrophobicContact CG2-CB 3.76Å; V257-E268 HydrophobicContact CG1-CG 4.31Å; V257-E268 HydrophobicContact CG2-CG 4.05Å
269A96.6Very high92.9Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-157.1-177.2-178.200000113D255 V256 F258 L274 L344D255-A269 PolarHBondContact N-O 3.19Å; V256-A269 VanDerWaalsContact CG1-C 3.45Å; V256-A269 HydrophobicContact CG1-CB 3.9Å; V256-A269 VanDerWaalsContact CG1-O 3.31Å; V256-A269 WeakPolarHBondContact CG1-O 3.16Å; V256-A269 PolarHBondContact N-O 3.22Å; V256-A269 PolarHBondContact O-N 3.28Å; F258-A269 HydrophobicContact CD2-CB 4.48Å; F258-A269 HydrophobicContact CE2-CB 4.05Å; A269-L274 HydrophobicContact CB-CD1 4.07Å; A269-L344 HydrophobicContact CB-CD1 3.95Å
270H95.6Very high92.8Very high1 Ų137.7 Ų37.71%0.00519%0.194CC..  trans-123120.3-174.3-52.185000110.1Q252 C253 D255 I272 V273 L274 Y348 A436Q252-H270 PolarHBondContact O-NE2 2.83Å; C253-H270 PolarHBondContact O-CD2 3.09Å; C253-H270 VanDerWaalsContact O-CD2 3.29Å; D255-H270 WeakPolarHBondContact OD1-CA 3.3Å; H270-I272 VanDerWaalsContact C-N 3.27Å; H270-I272 HydrophobicContact CB-CG2 4.39Å; H270-I272 PolarHBondContact O-N 2.95Å; H270-V273 HydrophobicContact CB-CB 4.39Å; H270-V273 HydrophobicContact CB-CG2 4.06Å; H270-V273 PolarHBondContact O-N 3.41Å; H270-L274 WeakPolarHBondContact O-CG 3.32Å; H270-L274 PolarHBondContact O-N 3.46Å; H270-Y348 WeakPolarHBondContact CB-OH 3.44Å; H270-Y348 PolarHBondContact N-OH 2.82Å; H270-Y348 AromaticContact ND1-CE1 3.67Å; H270-Y348 AromaticContact ND1-CZ 3.69Å; H270-Y348 PolarHBondContact ND1-OH 3.27Å; H270-A436 HydrophobicContact CB-CB 4.42Å
271K95.5Very high92.8Very high42 Ų4236.2 Ų36.218%0.18319%0.186CC..Hα-helixtrans-55.4-43.9-179.2-67.6170.7-172.2141.80111D255 V256 V273 L274 C275 F285 L419D255-K271 WeakPolarHBondContact O-CE 3.5Å; D255-K271 PolarHBondContact O-NZ 3.23Å; D255-K271 WeakPolarHBondContact OD1-CG 3.45Å; D255-K271 PolarHBondContact OD1-N 2.86Å; D255-K271 VanDerWaalsContact OD2-CB 3.29Å; D255-K271 WeakPolarHBondContact OD2-CB 3.27Å; D255-K271 WeakPolarHBondContact OD2-CD 3.15Å; D255-K271 WeakPolarHBondContact OD2-CG 3.21Å; D255-K271 PolarHBondContact OD2-N 3.29Å; V256-K271 HydrophobicContact CB-CG 4.13Å; V256-K271 HydrophobicContact CG1-CG 4.11Å; K271-V273 PolarHBondContact O-N 3.45Å; K271-L274 PolarHBondContact O-N 3.19Å; K271-C275 WeakPolarHBondContact O-CB 3.3Å; K271-C275 PolarHBondContact O-N 3.01Å; K271-C275 PolarHBondContact O-SG 2.82Å; K271-C275 VanDerWaalsContact O-SG 3.41Å; K271-F285 HydrophobicContact CB-CD2 3.74Å; K271-F285 HydrophobicContact CB-CE2 3.96Å; K271-F285 HydrophobicContact CB-CG 4.42Å; K271-F285 HydrophobicContact CD-CD2 4.38Å; K271-F285 HydrophobicContact CD-CG 4.27Å; K271-F285 HydrophobicContact CG-CD1 4.33Å; K271-F285 HydrophobicContact CG-CD2 3.64Å; K271-F285 HydrophobicContact CG-CE1 4.41Å; K271-F285 HydrophobicContact CG-CE2 3.76Å; K271-F285 HydrophobicContact CG-CG 3.96Å; K271-F285 HydrophobicContact CG-CZ 4.15Å; K271-L419 HydrophobicContact CB-CD1 4.15Å; K271-L419 HydrophobicContact CB-CD2 4.34Å; K271-L419 HydrophobicContact CD-CD2 4.37Å
272I95.1Very high92.9Very high4 Ų433.8 Ų33.82%0.02117%0.169CC..Hα-helixtrans-57.8-45.8-179.1179.4166000112.4H270 C275 A276 L410 F413 L419 H434 A436 I437 Y479H270-I272 VanDerWaalsContact C-N 3.27Å; H270-I272 HydrophobicContact CB-CG2 4.39Å; H270-I272 PolarHBondContact O-N 2.95Å; I272-C275 PolarHBondContact O-N 3.24Å; I272-A276 VanDerWaalsContact O-CB 3.28Å; I272-A276 WeakPolarHBondContact O-CB 3.44Å; I272-A276 PolarHBondContact O-N 2.62Å; I272-L410 HydrophobicContact CD1-CD2 3.88Å; I272-L410 HydrophobicContact CG1-CD2 3.56Å; I272-F413 HydrophobicContact CD1-CB 3.88Å; I272-F413 HydrophobicContact CD1-CG 4.13Å; I272-F413 HydrophobicContact CG1-CB 4.46Å; I272-F413 HydrophobicContact CG1-CD1 4.42Å; I272-F413 HydrophobicContact CG1-CD2 4.41Å; I272-F413 HydrophobicContact CG1-CG 4.17Å; I272-L419 HydrophobicContact CB-CD1 4.36Å; I272-H434 HydrophobicContact CD1-CB 3.64Å; I272-H434 WeakPolarHBondContact CD1-CD2 3.48Å; I272-A436 HydrophobicContact CG2-CB 4.2Å; I272-I437 HydrophobicContact CD1-CD1 4.47Å; I272-I437 HydrophobicContact CD1-CG1 3.85Å; I272-I437 HydrophobicContact CG2-CD1 4.33Å; I272-I437 HydrophobicContact CG2-CG1 4.4Å; I272-Y479 HydrophobicContact CD1-CE1 3.99Å
273V94Very high93Very high5 Ų527.9 Ų27.93%0.0314%0.138CC..Hα-helixtrans-66-44-178.9179.80000110.4L247 H270 K271 A276 V277 I347 Y348 I437L247-V273 HydrophobicContact CD2-CG2 4.41Å; H270-V273 HydrophobicContact CB-CB 4.39Å; H270-V273 HydrophobicContact CB-CG2 4.06Å; H270-V273 PolarHBondContact O-N 3.41Å; K271-V273 PolarHBondContact O-N 3.45Å; V273-A276 WeakPolarHBondContact O-CB 3.48Å; V273-A276 PolarHBondContact O-N 2.7Å; V273-V277 PolarHBondContact O-N 2.74Å; V273-I347 HydrophobicContact CG1-CG2 4.48Å; V273-Y348 HydrophobicContact CB-CD1 4.48Å; V273-Y348 HydrophobicContact CB-CE1 3.88Å; V273-Y348 HydrophobicContact CB-CE2 4.38Å; V273-Y348 HydrophobicContact CG1-CD1 3.81Å; V273-Y348 HydrophobicContact CG1-CD2 4.08Å; V273-Y348 HydrophobicContact CG1-CE1 3.69Å; V273-Y348 HydrophobicContact CG1-CE2 3.93Å; V273-Y348 HydrophobicContact CG1-CG 4.07Å; V273-Y348 HydrophobicContact CG2-CD1 4.42Å; V273-Y348 HydrophobicContact CG2-CE1 3.78Å; V273-I437 HydrophobicContact CG2-CD1 4.22Å
274L94.5Very high93.3Very high0 Ų025.6 Ų25.60%013%0.126CC..Hα-helixtrans-64.7-45.1178.5-65.7-178.1000112.4V256 F258 A269 H270 K271 A276 V277 S278 F281 F285 L344 I347 Y348V256-L274 HydrophobicContact CG1-CD1 4.16Å; F258-L274 HydrophobicContact CE2-CD1 3.85Å; F258-L274 HydrophobicContact CZ-CD1 3.84Å; A269-L274 HydrophobicContact CB-CD1 4.07Å; H270-L274 WeakPolarHBondContact O-CG 3.32Å; H270-L274 PolarHBondContact O-N 3.46Å; K271-L274 PolarHBondContact O-N 3.19Å; L274-A276 VanDerWaalsContact C-N 3.32Å; L274-A276 PolarHBondContact O-N 2.96Å; L274-V277 WeakPolarHBondContact O-CG2 3.25Å; L274-V277 PolarHBondContact O-N 2.92Å; L274-S278 WeakPolarHBondContact O-CB 3.23Å; L274-S278 PolarHBondContact O-N 3.42Å; L274-S278 VanDerWaalsContact O-N 3.08Å; L274-F281 HydrophobicContact CB-CB 3.9Å; L274-F281 HydrophobicContact CB-CD1 4.38Å; L274-F281 HydrophobicContact CB-CD2 3.57Å; L274-F281 HydrophobicContact CB-CE2 4.2Å; L274-F281 HydrophobicContact CB-CG 3.71Å; L274-F281 HydrophobicContact CD1-CD1 4.34Å; L274-F281 HydrophobicContact CD1-CE1 4.36Å; L274-F281 HydrophobicContact CD1-CG 4.46Å; L274-F281 HydrophobicContact CD1-CZ 4.49Å; L274-F281 HydrophobicContact CD2-CD2 4.1Å; L274-F281 HydrophobicContact CD2-CE2 3.84Å; L274-F281 HydrophobicContact CD2-CZ 4.28Å; L274-F281 HydrophobicContact CG-CD2 4.27Å; L274-F281 HydrophobicContact CG-CE2 4.42Å; L274-F285 HydrophobicContact CB-CE2 4.12Å; L274-F285 HydrophobicContact CD1-CE2 4Å; L274-F285 HydrophobicContact CD1-CZ 4.01Å; L274-L344 HydrophobicContact CD2-CD2 3.67Å; L274-I347 HydrophobicContact CD2-CG2 4.42Å; L274-Y348 HydrophobicContact CD2-CE2 4.39Å
275C93.4Very high93.4Very high6 Ų619.3 Ų19.34%0.04110%0.099CC..Hα-helixtrans-64.6-34.1176.9-84.70000112.9K271 I272 V277 M282 F413 L419K271-C275 WeakPolarHBondContact O-CB 3.3Å; K271-C275 PolarHBondContact O-N 3.01Å; K271-C275 PolarHBondContact O-SG 2.82Å; K271-C275 VanDerWaalsContact O-SG 3.41Å; I272-C275 PolarHBondContact O-N 3.24Å; C275-V277 VanDerWaalsContact C-N 3.27Å; C275-V277 PolarHBondContact O-N 3.18Å; C275-M282 HydrophobicContact CB-CG 4.17Å; C275-M282 HydrophobicContact CB-SD 3.38Å; C275-M282 WeakPolarHBondContact CB-SD 3.42Å; C275-F413 HydrophobicContact CB-CE1 4.25Å; C275-F413 HydrophobicContact CB-CE2 4.49Å; C275-F413 HydrophobicContact CB-CZ 3.7Å; C275-L419 HydrophobicContact CB-CD1 4.03Å
276A90.8Very high93.3Very high11 Ų1120.3 Ų20.39%0.09111%0.107CC..Hα-helixtrans-61.4-37.4176.600000111.9I272 V273 L274 S409 L410 F413I272-A276 VanDerWaalsContact O-CB 3.28Å; I272-A276 WeakPolarHBondContact O-CB 3.44Å; I272-A276 PolarHBondContact O-N 2.62Å; V273-A276 WeakPolarHBondContact O-CB 3.48Å; V273-A276 PolarHBondContact O-N 2.7Å; L274-A276 VanDerWaalsContact C-N 3.32Å; L274-A276 PolarHBondContact O-N 2.96Å; A276-S409 WeakPolarHBondContact O-CB 3.2Å; A276-S409 PolarHBondContact O-OG 2.89Å; A276-L410 HydrophobicContact CB-CD2 3.67Å; A276-L410 HydrophobicContact CB-CG 3.77Å; A276-F413 HydrophobicContact CB-CE2 4.11Å
277V87.6Confident93.2Very high20 Ų2019.7 Ų19.712%0.12110%0.103CC..Hα-helixtrans-97.1-13.8-176.1-58.40000114.4V273 L274 C275 I347 L382V273-V277 PolarHBondContact O-N 2.74Å; L274-V277 WeakPolarHBondContact O-CG2 3.25Å; L274-V277 PolarHBondContact O-N 2.92Å; C275-V277 VanDerWaalsContact C-N 3.27Å; C275-V277 PolarHBondContact O-N 3.18Å; V277-I347 HydrophobicContact CG1-CG2 4.36Å; V277-I347 HydrophobicContact CG2-CG1 4.48Å; V277-I347 HydrophobicContact CG2-CG2 3.59Å; V277-L382 HydrophobicContact CB-CD2 4.01Å; V277-L382 HydrophobicContact CG2-CD2 3.96Å
278S89.4Confident92.9Very high2 Ų221.4 Ų21.41%0.01411%0.109CC..  trans-145.4126.7-167.7-176.10000114.8L274 V280 F281 M282 I381L274-S278 WeakPolarHBondContact O-CB 3.23Å; L274-S278 PolarHBondContact O-N 3.42Å; L274-S278 VanDerWaalsContact O-N 3.08Å; S278-V280 VanDerWaalsContact C-N 3.27Å; S278-V280 PolarHBondContact O-N 2.98Å; S278-V280 WeakPolarHBondContact OG-CB 3.33Å; S278-V280 PolarHBondContact OG-N 2.86Å; S278-V280 VanDerWaalsContact OG-N 3.08Å; S278-F281 VanDerWaalsContact CB-CD2 3.44Å; S278-F281 PolarHBondContact O-N 3.38Å; S278-F281 PolarHBondContact OG-N 2.52Å; S278-M282 VanDerWaalsContact O-CG 3.29Å; S278-M282 WeakPolarHBondContact O-CG 3.42Å; S278-M282 PolarHBondContact O-N 3.05Å; S278-M282 VanDerWaalsContact O-N 3.07Å; S278-I381 VanDerWaalsContact CB-O 3.28Å; S278-I381 WeakPolarHBondContact CB-O 3.47Å; S278-I381 PolarHBondContact OG-O 3.45Å
279H89.8Confident92.5Very high39 Ų3920.6 Ų20.618%0.18111%0.11CC..Hα-helixtrans-70.4-23.2168.7-74.576.4000112.9M282 L283 K288 I293 I298 P385H279-M282 PolarHBondContact O-N 3.13Å; H279-L283 PolarHBondContact O-N 3.25Å; H279-K288 PolarHBondContact NE2-NZ 3.42Å; H279-I293 HydrophobicContact CB-CD1 4.05Å; H279-I298 HydrophobicContact CB-CD1 3.99Å; H279-I298 HydrophobicContact CB-CG2 3.95Å; H279-P385 WeakPolarHBondContact ND1-CD 3.37Å
280V93.3Very high92Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-61.6-46.8171.41700000109.6S278 L283 L284 I298 T301 T302 F306S278-V280 VanDerWaalsContact C-N 3.27Å; S278-V280 PolarHBondContact O-N 2.98Å; S278-V280 WeakPolarHBondContact OG-CB 3.33Å; S278-V280 PolarHBondContact OG-N 2.86Å; S278-V280 VanDerWaalsContact OG-N 3.08Å; V280-L283 PolarHBondContact O-N 3.32Å; V280-L284 WeakPolarHBondContact O-CB 3.35Å; V280-L284 PolarHBondContact O-N 3.09Å; V280-I298 HydrophobicContact CB-CG2 4.49Å; V280-I298 HydrophobicContact CG2-CG2 3.72Å; V280-T301 HydrophobicContact CG2-CG2 4.07Å; V280-T302 HydrophobicContact CG1-CG2 4.35Å; V280-T302 WeakPolarHBondContact CG1-OG1 3.41Å; V280-F306 HydrophobicContact CG1-CD2 4.11Å; V280-F306 HydrophobicContact CG1-CE2 3.92Å
281F94.5Very high91.4Very high3 Ų330 Ų301%0.01317%0.169CC..Hα-helixtrans-71.3-33.2177.2-66.3-54.2000112.8F258 L274 S278 L283 L284 F285 F306 I347 I381F258-F281 HydrophobicContact CE1-CE1 4.24Å; F258-F281 AromaticContact CZ-CE1 3.94Å; F258-F281 HydrophobicContact CZ-CE1 3.94Å; F258-F281 HydrophobicContact CZ-CZ 4.49Å; L274-F281 HydrophobicContact CB-CB 3.9Å; L274-F281 HydrophobicContact CB-CD1 4.38Å; L274-F281 HydrophobicContact CB-CD2 3.57Å; L274-F281 HydrophobicContact CB-CE2 4.2Å; L274-F281 HydrophobicContact CB-CG 3.71Å; L274-F281 HydrophobicContact CD1-CD1 4.34Å; L274-F281 HydrophobicContact CD1-CE1 4.36Å; L274-F281 HydrophobicContact CD1-CG 4.46Å; L274-F281 HydrophobicContact CD1-CZ 4.49Å; L274-F281 HydrophobicContact CD2-CD2 4.1Å; L274-F281 HydrophobicContact CD2-CE2 3.84Å; L274-F281 HydrophobicContact CD2-CZ 4.28Å; L274-F281 HydrophobicContact CG-CD2 4.27Å; L274-F281 HydrophobicContact CG-CE2 4.42Å; S278-F281 VanDerWaalsContact CB-CD2 3.44Å; S278-F281 PolarHBondContact O-N 3.38Å; S278-F281 PolarHBondContact OG-N 2.52Å; F281-L283 VanDerWaalsContact C-N 3.32Å; F281-L283 PolarHBondContact O-N 3.01Å; F281-L284 HydrophobicContact CD1-CD2 3.96Å; F281-L284 HydrophobicContact CE1-CD2 4.3Å; F281-L284 PolarHBondContact O-N 3.01Å; F281-F285 HydrophobicContact CB-CD2 4.3Å; F281-F285 HydrophobicContact CB-CE2 3.98Å; F281-F285 HydrophobicContact CD1-CE2 4.22Å; F281-F285 HydrophobicContact CD1-CZ 4.17Å; F281-F285 HydrophobicContact CG-CE2 4.39Å; F281-F285 WeakPolarHBondContact O-CD2 3.32Å; F281-F285 WeakPolarHBondContact O-CG 3.45Å; F281-F285 PolarHBondContact O-N 3.27Å; F281-F306 HydrophobicContact CE1-CE1 4.39Å; F281-F306 HydrophobicContact CE1-CE2 4.03Å; F281-F306 AromaticContact CE1-CZ 3.85Å; F281-F306 HydrophobicContact CE1-CZ 3.85Å; F281-F306 HydrophobicContact CZ-CE2 4.45Å; F281-F306 HydrophobicContact CZ-CZ 4.09Å; F281-I347 HydrophobicContact CE2-CD1 4.39Å; F281-I381 HydrophobicContact CD2-CG2 4.32Å; F281-I381 HydrophobicContact CE2-CG2 3.74Å; F281-I381 HydrophobicContact CZ-CG2 4.34Å
282M92.6Very high90.8Very high6 Ų632.8 Ų32.83%0.0319%0.186CC..Hα-helixtrans-59-41.1170.6-65.3-73.8-92.600112.5C275 S278 H279 V287 K288 F412 F413 M418C275-M282 HydrophobicContact CB-CG 4.17Å; C275-M282 HydrophobicContact CB-SD 3.38Å; C275-M282 WeakPolarHBondContact CB-SD 3.42Å; S278-M282 VanDerWaalsContact O-CG 3.29Å; S278-M282 WeakPolarHBondContact O-CG 3.42Å; S278-M282 PolarHBondContact O-N 3.05Å; S278-M282 VanDerWaalsContact O-N 3.07Å; H279-M282 PolarHBondContact O-N 3.13Å; M282-V287 HydrophobicContact CB-CB 4.37Å; M282-V287 HydrophobicContact CE-CB 4.28Å; M282-V287 HydrophobicContact CE-CG1 3.45Å; M282-V287 VanDerWaalsContact CE-CG1 3.45Å; M282-V287 WeakPolarHBondContact O-CA 3.39Å; M282-V287 WeakPolarHBondContact O-CB 3.38Å; M282-V287 PolarHBondContact O-N 2.68Å; M282-V287 HydrophobicContact SD-CB 3.78Å; M282-V287 HydrophobicContact SD-CG1 3.45Å; M282-V287 WeakPolarHBondContact SD-CG1 3.49Å; M282-V287 HydrophobicContact SD-CG2 4.38Å; M282-K288 HydrophobicContact CB-CB 4.29Å; M282-K288 HydrophobicContact CB-CD 4.4Å; M282-K288 HydrophobicContact CB-CG 4.33Å; M282-K288 HydrophobicContact CE-CD 4.28Å; M282-K288 HydrophobicContact CE-CG 4.18Å; M282-K288 PolarHBondContact O-N 3.22Å; M282-F412 HydrophobicContact CE-CD1 4.39Å; M282-F412 HydrophobicContact CE-CE1 3.86Å; M282-F413 HydrophobicContact CE-CZ 3.99Å; M282-F413 HydrophobicContact SD-CE1 4.39Å; M282-F413 HydrophobicContact SD-CZ 3.76Å; M282-M418 HydrophobicContact CE-CE 4.4Å; M282-M418 HydrophobicContact CE-SD 4.41Å
283L93Very high90Very high15 Ų1532.8 Ų32.88%0.07919%0.186CC..Hα-helixtrans-69.3-47.5173.1-74.4175.7000111.5H279 V280 F281 F285 N286 S289 P290 I293 I298 I299 T302H279-L283 PolarHBondContact O-N 3.25Å; V280-L283 PolarHBondContact O-N 3.32Å; F281-L283 VanDerWaalsContact C-N 3.32Å; F281-L283 PolarHBondContact O-N 3.01Å; L283-F285 VanDerWaalsContact C-N 3.26Å; L283-F285 PolarHBondContact O-N 3.29Å; L283-N286 PolarHBondContact O-N 3.1Å; L283-S289 VanDerWaalsContact CD2-C 3.48Å; L283-S289 WeakPolarHBondContact CD2-O 3.38Å; L283-P290 HydrophobicContact CD2-CG 4.33Å; L283-I293 HydrophobicContact CD1-CD1 3.87Å; L283-I293 HydrophobicContact CD1-CG2 4.49Å; L283-I293 HydrophobicContact CD2-CD1 3.55Å; L283-I293 HydrophobicContact CD2-CG1 4.49Å; L283-I293 HydrophobicContact CG-CD1 3.41Å; L283-I293 VanDerWaalsContact CG-CD1 3.41Å; L283-I298 HydrophobicContact CD1-CG2 3.95Å; L283-I299 HydrophobicContact CD1-CG1 3.95Å; L283-T302 HydrophobicContact CB-CG2 4.06Å
284L95.1Very high89.2Confident12 Ų1242 Ų426%0.06323%0.229CC..Hα-helixtrans-55.2-45.6-177.1-176.861.5000110.9V280 F281 N286 T302 F306 I308 V329V280-L284 WeakPolarHBondContact O-CB 3.35Å; V280-L284 PolarHBondContact O-N 3.09Å; F281-L284 HydrophobicContact CD1-CD2 3.96Å; F281-L284 HydrophobicContact CE1-CD2 4.3Å; F281-L284 PolarHBondContact O-N 3.01Å; L284-N286 VanDerWaalsContact C-N 3.28Å; L284-N286 PolarHBondContact O-N 2.79Å; L284-T302 HydrophobicContact CB-CG2 4.06Å; L284-T302 HydrophobicContact CD1-CG2 4.41Å; L284-F306 HydrophobicContact CD1-CB 3.76Å; L284-F306 HydrophobicContact CD2-CB 3.99Å; L284-F306 HydrophobicContact CD2-CD1 4.47Å; L284-F306 HydrophobicContact CD2-CD2 4.29Å; L284-F306 HydrophobicContact CD2-CG 4Å; L284-I308 HydrophobicContact CD1-CD1 4.19Å; L284-I308 HydrophobicContact CD1-CG1 3.94Å; L284-I308 WeakPolarHBondContact O-CD1 3.49Å; L284-V329 HydrophobicContact CD2-CG1 3.94Å; L284-V329 HydrophobicContact CD2-CG2 4.12Å
285F93.8Very high88.7Confident21 Ų2143.5 Ų43.59%0.09224%0.236CC..THydrogen-bonded Turntrans-89.314.1-177.4-53.7-36.2000114V256 K271 L274 F281 L283 V287 L327 V329V256-F285 HydrophobicContact CB-CZ 4.34Å; V256-F285 HydrophobicContact CG1-CZ 4.25Å; V256-F285 HydrophobicContact CG2-CE1 3.88Å; V256-F285 HydrophobicContact CG2-CZ 3.88Å; K271-F285 HydrophobicContact CB-CD2 3.74Å; K271-F285 HydrophobicContact CB-CE2 3.96Å; K271-F285 HydrophobicContact CB-CG 4.42Å; K271-F285 HydrophobicContact CD-CD2 4.38Å; K271-F285 HydrophobicContact CD-CG 4.27Å; K271-F285 HydrophobicContact CG-CD1 4.33Å; K271-F285 HydrophobicContact CG-CD2 3.64Å; K271-F285 HydrophobicContact CG-CE1 4.41Å; K271-F285 HydrophobicContact CG-CE2 3.76Å; K271-F285 HydrophobicContact CG-CG 3.96Å; K271-F285 HydrophobicContact CG-CZ 4.15Å; L274-F285 HydrophobicContact CB-CE2 4.12Å; L274-F285 HydrophobicContact CD1-CE2 4Å; L274-F285 HydrophobicContact CD1-CZ 4.01Å; F281-F285 HydrophobicContact CB-CD2 4.3Å; F281-F285 HydrophobicContact CB-CE2 3.98Å; F281-F285 HydrophobicContact CD1-CE2 4.22Å; F281-F285 HydrophobicContact CD1-CZ 4.17Å; F281-F285 HydrophobicContact CG-CE2 4.39Å; F281-F285 WeakPolarHBondContact O-CD2 3.32Å; F281-F285 WeakPolarHBondContact O-CG 3.45Å; F281-F285 PolarHBondContact O-N 3.27Å; L283-F285 VanDerWaalsContact C-N 3.26Å; L283-F285 PolarHBondContact O-N 3.29Å; F285-V287 HydrophobicContact CB-CG2 4.12Å; F285-V287 PolarHBondContact O-N 3.01Å; F285-L327 HydrophobicContact CD1-CD2 3.46Å; F285-L327 VanDerWaalsContact CD1-CD2 3.46Å; F285-L327 HydrophobicContact CE1-CD2 3.79Å; F285-V329 HydrophobicContact CE1-CG2 3.98Å
286N91.3Very high88.4Confident121 Ų12147.6 Ų47.665%0.64727%0.265SS*.THydrogen-bonded Turntrans54.630-178.3-64.7-21.9000113.9L283 L284L283-N286 PolarHBondContact O-N 3.1Å; L284-N286 VanDerWaalsContact C-N 3.28Å; L284-N286 PolarHBondContact O-N 2.79Å
287V89.9Confident88.4Confident30 Ų3048.1 Ų48.118%0.18227%0.268CS..SBendtrans-77.6-35.4173.6-178.60000110.6M282 F285 M418 L419M282-V287 HydrophobicContact CB-CB 4.37Å; M282-V287 HydrophobicContact CE-CB 4.28Å; M282-V287 HydrophobicContact CE-CG1 3.45Å; M282-V287 VanDerWaalsContact CE-CG1 3.45Å; M282-V287 WeakPolarHBondContact O-CA 3.39Å; M282-V287 WeakPolarHBondContact O-CB 3.38Å; M282-V287 PolarHBondContact O-N 2.68Å; M282-V287 HydrophobicContact SD-CB 3.78Å; M282-V287 HydrophobicContact SD-CG1 3.45Å; M282-V287 WeakPolarHBondContact SD-CG1 3.49Å; M282-V287 HydrophobicContact SD-CG2 4.38Å; F285-V287 HydrophobicContact CB-CG2 4.12Å; F285-V287 PolarHBondContact O-N 3.01Å; V287-M418 HydrophobicContact CG1-CE 4.25Å; V287-M418 HydrophobicContact CG1-CG 3.54Å; V287-M418 HydrophobicContact CG1-SD 3.17Å; V287-M418 WeakPolarHBondContact CG1-SD 3.34Å; V287-L419 HydrophobicContact CG2-CD1 4.06Å; V287-L419 HydrophobicContact CG2-CD2 3.78Å; V287-L419 HydrophobicContact CG2-CG 3.99Å
288K88.7Confident88.4Confident55 Ų5547.2 Ų47.224%0.23926%0.263CS..SBendtrans-121.7150.9167.6-75.2-175.3176.5-174.30109.5H279 M282 D292 I293H279-K288 PolarHBondContact NE2-NZ 3.42Å; M282-K288 HydrophobicContact CB-CB 4.29Å; M282-K288 HydrophobicContact CB-CD 4.4Å; M282-K288 HydrophobicContact CB-CG 4.33Å; M282-K288 HydrophobicContact CE-CD 4.28Å; M282-K288 HydrophobicContact CE-CG 4.18Å; M282-K288 PolarHBondContact O-N 3.22Å; K288-D292 HydrophobicContact CB-CB 4.28Å; K288-D292 HydrophobicContact CG-CB 4.49Å; K288-I293 HydrophobicContact CB-CD1 3.93Å; K288-I293 HydrophobicContact CD-CD1 3.96Å; K288-I293 HydrophobicContact CD-CG1 4.16Å
289S87.6Confident88.5Confident40 Ų4049 Ų4928%0.2827%0.272SS..  trans-87.7159.4170.869.40000111.1L283 T291 D292L283-S289 VanDerWaalsContact CD2-C 3.48Å; L283-S289 WeakPolarHBondContact CD2-O 3.38Å; S289-T291 PolarHBondContact O-N 3.23Å; S289-T291 PolarHBondContact OG-OG1 2.77Å; S289-D292 WeakPolarHBondContact CB-OD2 3.25Å; S289-D292 PolarHBondContact N-OD2 3.06Å; S289-D292 WeakPolarHBondContact O-CB 3.28Å; S289-D292 PolarHBondContact O-N 3.4Å; S289-D292 PolarHBondContact OG-N 3.09Å; S289-D292 PolarHBondContact OG-OD2 2.98Å
290P85.8Confident88.6Confident78 Ų7854.4 Ų54.451%0.50629%0.291SS..G310 helixtrans-56.9-27.9172.3-2635.4000113.4L283 D292 I293 I299L283-P290 HydrophobicContact CD2-CG 4.33Å; P290-D292 VanDerWaalsContact C-N 3.28Å; P290-D292 PolarHBondContact O-N 3.03Å; P290-I293 PolarHBondContact O-N 3.43Å; P290-I293 VanDerWaalsContact O-O 3.05Å; P290-I299 HydrophobicContact CB-CD1 4.25Å
291T84.2Confident88.6Confident121 Ų12155 Ų5574%0.74229%0.294SS*.G310 helixtrans-70.4-24.4176.541.90000113.2S289 I293S289-T291 PolarHBondContact O-N 3.23Å; S289-T291 PolarHBondContact OG-OG1 2.77Å; T291-I293 VanDerWaalsContact C-N 3.3Å
292D81.8Confident88.6Confident99 Ų9955.5 Ų55.553%0.52930%0.298SS..G310 helixtrans-79.7-15.1176.9-54.9-45.2000112.4K288 S289 P290K288-D292 HydrophobicContact CB-CB 4.28Å; K288-D292 HydrophobicContact CG-CB 4.49Å; S289-D292 WeakPolarHBondContact CB-OD2 3.25Å; S289-D292 PolarHBondContact N-OD2 3.06Å; S289-D292 WeakPolarHBondContact O-CB 3.28Å; S289-D292 PolarHBondContact O-N 3.4Å; S289-D292 PolarHBondContact OG-N 3.09Å; S289-D292 PolarHBondContact OG-OD2 2.98Å; P290-D292 VanDerWaalsContact C-N 3.28Å; P290-D292 PolarHBondContact O-N 3.03Å
293I79Confident88.6Confident5 Ų561 Ų613%0.02632%0.323CS..  trans-118.9101.4-174.4-69165.2000109.3H279 L283 K288 P290 T291 D295 I298H279-I293 HydrophobicContact CB-CD1 4.05Å; L283-I293 HydrophobicContact CD1-CD1 3.87Å; L283-I293 HydrophobicContact CD1-CG2 4.49Å; L283-I293 HydrophobicContact CD2-CD1 3.55Å; L283-I293 HydrophobicContact CD2-CG1 4.49Å; L283-I293 HydrophobicContact CG-CD1 3.41Å; L283-I293 VanDerWaalsContact CG-CD1 3.41Å; K288-I293 HydrophobicContact CB-CD1 3.93Å; K288-I293 HydrophobicContact CD-CD1 3.96Å; K288-I293 HydrophobicContact CD-CG1 4.16Å; P290-I293 PolarHBondContact O-N 3.43Å; P290-I293 VanDerWaalsContact O-O 3.05Å; T291-I293 VanDerWaalsContact C-N 3.3Å; I293-D295 HydrophobicContact CG2-CB 4.32Å; I293-D295 PolarHBondContact O-N 2.89Å; I293-I298 HydrophobicContact CG2-CB 4.17Å; I293-I298 HydrophobicContact CG2-CD1 4.3Å; I293-I298 HydrophobicContact CG2-CG2 4.19Å
294Q77.3Confident88.7Confident199 Ų19964.8 Ų64.893%0.9334%0.343SS*.  trans-77.45.5-178.7-61.1-177.4-3.700114.1
295D84.6Confident88.7Confident30 Ų3064.5 Ų64.516%0.1634%0.342CS..  trans-101104.3-178.2-166.2-35.4000111.2I293 S297 I298 I299 K383I293-D295 HydrophobicContact CG2-CB 4.32Å; I293-D295 PolarHBondContact O-N 2.89Å; D295-S297 PolarHBondContact O-N 3.01Å; D295-S297 WeakPolarHBondContact OD1-CB 3.48Å; D295-S297 PolarHBondContact OD1-N 3.27Å; D295-S297 PolarHBondContact OD1-OG 3Å; D295-I298 HydrophobicContact CB-CB 4.48Å; D295-I298 HydrophobicContact CB-CD1 3.87Å; D295-I298 HydrophobicContact CB-CG1 4.02Å; D295-I298 PolarHBondContact O-N 3.01Å; D295-I298 VanDerWaalsContact O-N 3.16Å; D295-I299 PolarHBondContact O-N 3.27Å; D295-K383 IonicContact OD1-NZ 3.49Å; D295-K383 PolarHBondContact OD1-NZ 3.27Å; D295-K383 WeakPolarHBondContact OD2-CE 3.23Å; D295-K383 IonicContact OD2-NZ 3.57Å; D295-K383 PolarHBondContact OD2-NZ 3.22Å
296S87.6Confident88.9Confident93 Ų9363.8 Ų63.865%0.6534%0.339SS*.Hα-helixtrans-60.9-27.2-178.460.50000113.6R300S296-R300 WeakPolarHBondContact O-CB 3.44Å; S296-R300 PolarHBondContact O-N 3.26Å
297S89Confident89Confident21 Ų2159.6 Ų59.615%0.14732%0.321CS..Hα-helixtrans-67.4-37.6178.367.30000111.7D295 R300 T301 K383D295-S297 PolarHBondContact O-N 3.01Å; D295-S297 WeakPolarHBondContact OD1-CB 3.48Å; D295-S297 PolarHBondContact OD1-N 3.27Å; D295-S297 PolarHBondContact OD1-OG 3Å; S297-R300 PolarHBondContact O-N 3.09Å; S297-T301 WeakPolarHBondContact O-CB 3.37Å; S297-T301 PolarHBondContact O-N 2.99Å; S297-T301 PolarHBondContact O-OG1 2.79Å; S297-K383 PolarHBondContact OG-NZ 3.32Å
298I89.3Confident89.1Confident1 Ų160.6 Ų60.61%0.00533%0.325CS..Hα-helixtrans-68.4-43.9179.2-60.7-179000110.4H279 V280 L283 I293 D295 T301 T302 K383 P385H279-I298 HydrophobicContact CB-CD1 3.99Å; H279-I298 HydrophobicContact CB-CG2 3.95Å; V280-I298 HydrophobicContact CB-CG2 4.49Å; V280-I298 HydrophobicContact CG2-CG2 3.72Å; L283-I298 HydrophobicContact CD1-CG2 3.95Å; I293-I298 HydrophobicContact CG2-CB 4.17Å; I293-I298 HydrophobicContact CG2-CD1 4.3Å; I293-I298 HydrophobicContact CG2-CG2 4.19Å; D295-I298 HydrophobicContact CB-CB 4.48Å; D295-I298 HydrophobicContact CB-CD1 3.87Å; D295-I298 HydrophobicContact CB-CG1 4.02Å; D295-I298 PolarHBondContact O-N 3.01Å; D295-I298 VanDerWaalsContact O-N 3.16Å; I298-T301 PolarHBondContact O-N 2.84Å; I298-T302 PolarHBondContact O-N 3.34Å; I298-T302 PolarHBondContact O-OG1 3.21Å; I298-K383 HydrophobicContact CG1-CD 4.37Å; I298-P385 HydrophobicContact CD1-CG 3.73Å
299I91.2Very high89Confident40 Ų4059.1 Ų59.121%0.20532%0.319CS..Hα-helixtrans-60.2-50.3177.2-61.7171.4000109.9L283 P290 D295 T302 Q303L283-I299 HydrophobicContact CD1-CG1 3.95Å; P290-I299 HydrophobicContact CB-CD1 4.25Å; D295-I299 PolarHBondContact O-N 3.27Å; I299-T302 WeakPolarHBondContact O-CB 3.42Å; I299-T302 PolarHBondContact O-N 3.46Å; I299-Q303 WeakPolarHBondContact O-CG 3.22Å; I299-Q303 PolarHBondContact O-N 3.34Å; I299-Q303 VanDerWaalsContact O-N 3.08Å
300R92.4Very high88.6Confident153 Ų15366.4 Ų66.458%0.57734%0.341SS*.Hα-helixtrans-60-48.7178.6-177.3178.968.2-165.31.3111.6S296 S297 T302 Q303 D304S296-R300 WeakPolarHBondContact O-CB 3.44Å; S296-R300 PolarHBondContact O-N 3.26Å; S297-R300 PolarHBondContact O-N 3.09Å; R300-T302 VanDerWaalsContact C-N 3.27Å; R300-T302 PolarHBondContact O-N 3.16Å; R300-Q303 PolarHBondContact O-N 2.63Å; R300-Q303 VanDerWaalsContact O-N 3.16Å; R300-D304 WeakPolarHBondContact CG-OD2 3.24Å; R300-D304 WeakPolarHBondContact O-CB 3.38Å; R300-D304 VanDerWaalsContact O-CG 3.25Å; R300-D304 PolarHBondContact O-N 3.11Å
301T93.2Very high87.7Confident13 Ų1368 Ų688%0.0835%0.345CS..Hα-helixtrans-57.6-39.8177.5-64.90000112.1V280 S297 I298 L305 C380 I381V280-T301 HydrophobicContact CG2-CG2 4.07Å; S297-T301 WeakPolarHBondContact O-CB 3.37Å; S297-T301 PolarHBondContact O-N 2.99Å; S297-T301 PolarHBondContact O-OG1 2.79Å; I298-T301 PolarHBondContact O-N 2.84Å; T301-L305 HydrophobicContact CG2-CD1 3.56Å; T301-L305 HydrophobicContact CG2-CG 4.27Å; T301-L305 VanDerWaalsContact O-CB 3.31Å; T301-L305 WeakPolarHBondContact O-CB 3.31Å; T301-L305 WeakPolarHBondContact O-CG 3.48Å; T301-L305 PolarHBondContact O-N 3.19Å; T301-L305 VanDerWaalsContact O-N 3.07Å; T301-C380 HydrophobicContact CG2-CB 4.2Å; T301-I381 HydrophobicContact CG2-CG1 4.24Å
302T93.4Very high86.3Confident13 Ų1368.9 Ų68.98%0.0835%0.351CS..Hα-helixtrans-61.9-47.9176.7-50.10000111.3V280 L283 L284 I298 I299 R300 F306V280-T302 HydrophobicContact CG1-CG2 4.35Å; V280-T302 WeakPolarHBondContact CG1-OG1 3.41Å; L283-T302 HydrophobicContact CB-CG2 4.06Å; L284-T302 HydrophobicContact CB-CG2 4.06Å; L284-T302 HydrophobicContact CD1-CG2 4.41Å; I298-T302 PolarHBondContact O-N 3.34Å; I298-T302 PolarHBondContact O-OG1 3.21Å; I299-T302 WeakPolarHBondContact O-CB 3.42Å; I299-T302 PolarHBondContact O-N 3.46Å; R300-T302 VanDerWaalsContact C-N 3.27Å; R300-T302 PolarHBondContact O-N 3.16Å; T302-F306 PolarHBondContact O-N 3.43Å
303Q93.1Very high84.7Confident121 Ų12168.5 Ų68.557%0.56536%0.361SS*.Hα-helixtrans-70.8-37.3-178-69.2174.5-12.900112.7I299 R300 K332I299-Q303 WeakPolarHBondContact O-CG 3.22Å; I299-Q303 PolarHBondContact O-N 3.34Å; I299-Q303 VanDerWaalsContact O-N 3.08Å; R300-Q303 PolarHBondContact O-N 2.63Å; R300-Q303 VanDerWaalsContact O-N 3.16Å; Q303-K332 PolarHBondContact O-NZ 3.28Å
304D94.3Very high83.3Confident94 Ų9472.1 Ų72.150%0.50338%0.376SS..Hα-helixtrans-78.5-34.8-175.8-69.9-9.2000112.3R300 K332R300-D304 WeakPolarHBondContact CG-OD2 3.24Å; R300-D304 WeakPolarHBondContact O-CB 3.38Å; R300-D304 VanDerWaalsContact O-CG 3.25Å; R300-D304 PolarHBondContact O-N 3.11Å; D304-K332 WeakPolarHBondContact O-CD 3.46Å
305L95.5Very high81.6Confident7 Ų768.6 Ų68.64%0.03737%0.371CS..Hα-helixtrans-91.9-34.4-175.8-67.3-179.8000114T301 V331 K332 D333 K377 I381T301-L305 HydrophobicContact CG2-CD1 3.56Å; T301-L305 HydrophobicContact CG2-CG 4.27Å; T301-L305 VanDerWaalsContact O-CB 3.31Å; T301-L305 WeakPolarHBondContact O-CB 3.31Å; T301-L305 WeakPolarHBondContact O-CG 3.48Å; T301-L305 PolarHBondContact O-N 3.19Å; T301-L305 VanDerWaalsContact O-N 3.07Å; L305-V331 WeakPolarHBondContact O-CA 3.36Å; L305-K332 PolarHBondContact O-N 3.49Å; L305-D333 HydrophobicContact CD2-CB 4.14Å; L305-K377 HydrophobicContact CD1-CB 4.25Å; L305-K377 HydrophobicContact CD1-CG 4.25Å; L305-K377 HydrophobicContact CD2-CD 3.86Å; L305-K377 HydrophobicContact CD2-CG 4.38Å; L305-I381 HydrophobicContact CD1-CD1 4.17Å; L305-I381 HydrophobicContact CD1-CG1 4.49Å
306F96.9Very high79.9Confident6 Ų670.7 Ų70.73%0.02640%0.399CS..EExtended strand (participates in β ladder)trans-124150.4-168.3-57.1-70.7000112.7F258 V280 F281 L284 T302 V329 I330 V331 K332 F336 I381F258-F306 HydrophobicContact CD1-CD1 4.46Å; F258-F306 HydrophobicContact CD1-CE1 4.24Å; F258-F306 HydrophobicContact CE1-CD1 4.07Å; F258-F306 AromaticContact CE1-CE1 3.78Å; F258-F306 HydrophobicContact CE1-CE1 3.78Å; V280-F306 HydrophobicContact CG1-CD2 4.11Å; V280-F306 HydrophobicContact CG1-CE2 3.92Å; F281-F306 HydrophobicContact CE1-CE1 4.39Å; F281-F306 HydrophobicContact CE1-CE2 4.03Å; F281-F306 AromaticContact CE1-CZ 3.85Å; F281-F306 HydrophobicContact CE1-CZ 3.85Å; F281-F306 HydrophobicContact CZ-CE2 4.45Å; F281-F306 HydrophobicContact CZ-CZ 4.09Å; L284-F306 HydrophobicContact CD1-CB 3.76Å; L284-F306 HydrophobicContact CD2-CB 3.99Å; L284-F306 HydrophobicContact CD2-CD1 4.47Å; L284-F306 HydrophobicContact CD2-CD2 4.29Å; L284-F306 HydrophobicContact CD2-CG 4Å; T302-F306 PolarHBondContact O-N 3.43Å; F306-V329 HydrophobicContact CB-CG1 4.05Å; F306-V329 HydrophobicContact CD1-CG1 3.71Å; F306-V329 HydrophobicContact CG-CG1 4.23Å; F306-I330 CarbonylContact C-O 3.55Å; F306-I330 WeakPolarHBondContact CA-O 3.47Å; F306-V331 HydrophobicContact CD1-CG2 4.29Å; F306-V331 HydrophobicContact CE1-CG1 4.49Å; F306-V331 HydrophobicContact CE1-CG2 4.15Å; F306-K332 WeakPolarHBondContact O-CE 3.39Å; F306-F336 HydrophobicContact CZ-CE1 4.22Å; F306-I381 HydrophobicContact CE2-CD1 4.45Å; F306-I381 HydrophobicContact CZ-CD1 4.39Å
307A94.4Very high77.6Confident32 Ų3270 Ų7026%0.26440%0.4SS..EExtended strand (participates in β ladder)trans-138.1142.6166.300000109.9V329 I330A307-V329 CarbonylContact O-C 2.98Å; A307-V329 WeakPolarHBondContact O-CA 3.16Å; A307-I330 HydrophobicContact CB-CB 4.42Å; A307-I330 PolarHBondContact N-O 3.15Å; A307-I330 PolarHBondContact O-N 3.09Å
308I92.5Very high75.2Confident52 Ų5274.2 Ų74.227%0.26743%0.429SS..EExtended strand (participates in β ladder)trans-90.5127.3173.3-67.4177.4000108.8L284 R310 L327L284-I308 HydrophobicContact CD1-CD1 4.19Å; L284-I308 HydrophobicContact CD1-CG1 3.94Å; L284-I308 WeakPolarHBondContact O-CD1 3.49Å; I308-R310 HydrophobicContact CG2-CG 3.99Å; I308-L327 HydrophobicContact CD1-CD2 4.15Å; I308-L327 HydrophobicContact CG2-CD1 3.75Å; I308-L327 HydrophobicContact CG2-CG 4.49Å
309N86.1Confident72.8Confident24 Ų2483.1 Ų83.113%0.12847%0.47CS..EExtended strand (participates in β ladder)trans-94.3125170.1-168.1-20.7000109.7D311 R328 I330N309-D311 WeakPolarHBondContact OD1-CB 3.35Å; N309-D311 PolarHBondContact OD1-N 2.53Å; N309-R328 HydrophobicContact CB-CB 4.26Å; N309-R328 PolarHBondContact N-O 2.89Å; N309-I330 HydrophobicContact CB-CD1 3.98Å; N309-I330 HydrophobicContact CB-CG1 4.28Å
310R78.8Confident70.2Confident193 Ų19390.3 Ų90.373%0.72850%0.503SS*.  trans-107.33.6179.4-61.9-170.6179.5-148.90.3113.4I308 T312I308-R310 HydrophobicContact CG2-CG 3.99Å; R310-T312 PolarHBondContact O-N 3.03Å
311D67.1Low67.6Low110 Ų11087.8 Ų87.859%0.58851%0.509SS*.  trans-74.3126.2-176.1-64.6-27.2000111.4N309 R328N309-D311 WeakPolarHBondContact OD1-CB 3.35Å; N309-D311 PolarHBondContact OD1-N 2.53Å; D311-R328 PolarHBondContact O-NH1 2.86Å
312T54.3Low65.3Low141 Ų14192.5 Ų92.587%0.86554%0.542SS*.  trans-84-11.3-176.648.20000113.7R310R310-T312 PolarHBondContact O-N 3.03Å
313A49.5Very low63.3Low90 Ų9094.1 Ų94.174%0.74456%0.562SS**  trans-100.683-177.100000111.6
314F49.5Very low61.9Low81 Ų8196.2 Ų96.236%0.35558%0.577SS.*  trans-134.2143.5172.9-121.4-93.5000110.7L263 G316L263-F314 HydrophobicContact CB-CE1 3.97Å; L263-F314 HydrophobicContact CB-CZ 3.72Å; L263-F314 HydrophobicContact CD1-CE1 4.4Å; L263-F314 HydrophobicContact CD1-CE2 3.78Å; L263-F314 HydrophobicContact CD1-CZ 3.33Å; L263-F314 HydrophobicContact CG-CZ 4.04Å; F314-G316 PolarHBondContact O-N 3.21Å
315P41.8Very low61.1Low126 Ų12696.6 Ų96.682%0.81859%0.585SS**THydrogen-bonded Turntrans-71.9127.2-176.9-7.924.6000110.1
316G47.1Very low60.9Low73 Ų7398.6 Ų98.675%0.75360%0.598SS**THydrogen-bonded Turntrans125.15.8174.900000116.3F314 S318F314-G316 PolarHBondContact O-N 3.21Å; G316-S318 VanDerWaalsContact C-N 3.29Å; G316-S318 PolarHBondContact O-N 3.11Å
317A41.1Very low60.7Low80 Ų80100.4 Ų100.466%0.66161%0.608SS**  trans-68.187.9170.100000110Q319A317-Q319 PolarHBondContact O-N 3.3Å; A317-Q319 VanDerWaalsContact O-N 3.11Å
318S38.3Very low60.6Low108 Ų108101.8 Ų101.876%0.75561%0.606SS**  trans-60111160.632.90000107.7G316 E320G316-S318 VanDerWaalsContact C-N 3.29Å; G316-S318 PolarHBondContact O-N 3.11Å; S318-E320 PolarHBondContact O-N 3.48Å
319Q39.4Very low60.8Low188 Ų18899.3 Ų99.388%0.87959%0.594SS**SBendtrans-66.380.2171.9-79176.1-44.800109.3A317A317-Q319 PolarHBondContact O-N 3.3Å; A317-Q319 VanDerWaalsContact O-N 3.11Å
320E36.6Very low61.4Low192 Ų19299.8 Ų99.890%0.89760%0.596SS**  trans-167.456.9168-111.8166.7-137.900112.2S318S318-E320 PolarHBondContact O-N 3.48Å
321S37.8Very low62.2Low100 Ų10090.6 Ų90.670%0.69956%0.561SS**  trans-151.3127.5154.862.90000110.3G323S321-G323 PolarHBondContact O-N 3.49Å
322S43.1Very low63.6Low111 Ų11190.3 Ų90.378%0.77655%0.554SS**SBendtrans-76.429.7-179.659.70000112.9
323G52.4Low65.6Low48 Ų4885.3 Ų85.350%0.49552%0.523SS..SBendtrans-121.7160.6-176.200000111.9S321S321-G323 PolarHBondContact O-N 3.49Å
324N62.6Low67.7Low165 Ų16584.2 Ų84.288%0.88251%0.513SS*.PPolyproline II helixtrans-59.8130.1171-75.1-34.7000109.1
325P79.1Confident69.8Low101 Ų10182.3 Ų82.366%0.65651%0.508SS*.PPolyproline II helixtrans-61150.5178.926.1-34.2000110.6
326P89.6Confident72.4Confident50 Ų5076.4 Ų76.433%0.32547%0.47SS..PPolyproline II helixtrans-62.6146.3-178.927.9-35.4000111V254 V257 R328V254-P326 HydrophobicContact CG1-CB 4.19Å; V257-P326 HydrophobicContact CG2-CB 3.92Å; V257-P326 HydrophobicContact CG2-CG 3.8Å; P326-R328 PolarHBondContact O-N 3.19Å
327L92.9Very high74.8Confident44 Ų4473.1 Ų73.123%0.2344%0.435CS..EExtended strand (participates in β ladder)trans-67.2130.7-178.5-177.369.7000110.1D255 V256 V257 F285 I308 V329D255-L327 PolarHBondContact O-N 3.41Å; V256-L327 CarbonylContact C-O 3.56Å; V256-L327 VanDerWaalsContact CA-O 3.28Å; V256-L327 WeakPolarHBondContact CA-O 3.44Å; V256-L327 HydrophobicContact CB-CB 4.44Å; V256-L327 HydrophobicContact CG2-CB 4.44Å; V256-L327 WeakPolarHBondContact CG2-O 3.36Å; V257-L327 PolarHBondContact N-O 2.83Å; F285-L327 HydrophobicContact CD1-CD2 3.46Å; F285-L327 VanDerWaalsContact CD1-CD2 3.46Å; F285-L327 HydrophobicContact CE1-CD2 3.79Å; I308-L327 HydrophobicContact CD1-CD2 4.15Å; I308-L327 HydrophobicContact CG2-CD1 3.75Å; I308-L327 HydrophobicContact CG2-CG 4.49Å; L327-V329 HydrophobicContact CD2-CG2 4.45Å
328R94Very high77.3Confident61 Ų6172.3 Ų72.323%0.2343%0.425CS..EExtended strand (participates in β ladder)trans-92.6122.5179.6-59.3178.8178.9158.3-3.5110.8Y259 N309 D311 P326Y259-R328 HydrophobicContact CD2-CB 4.24Å; Y259-R328 HydrophobicContact CE2-CB 3.96Å; Y259-R328 HydrophobicContact CE2-CG 3.84Å; N309-R328 HydrophobicContact CB-CB 4.26Å; N309-R328 PolarHBondContact N-O 2.89Å; D311-R328 PolarHBondContact O-NH1 2.86Å; P326-R328 PolarHBondContact O-N 3.19Å
329V96.7Very high80.1Confident0 Ų067.2 Ų67.20%039%0.389CS..EExtended strand (participates in β ladder)trans-117.3123.8178.1179.90000109.9V256 V257 F258 Y259 L284 F285 F306 A307 L327V256-V329 HydrophobicContact CG2-CB 4.49Å; V256-V329 HydrophobicContact CG2-CG2 3.64Å; V257-V329 PolarHBondContact O-N 3.36Å; F258-V329 CarbonylContact C-O 3.52Å; F258-V329 VanDerWaalsContact CA-O 3.3Å; F258-V329 WeakPolarHBondContact CA-O 3.37Å; F258-V329 HydrophobicContact CD1-CB 3.73Å; F258-V329 HydrophobicContact CD1-CG1 3.64Å; F258-V329 HydrophobicContact CE1-CB 3.87Å; F258-V329 HydrophobicContact CE1-CG1 3.58Å; F258-V329 HydrophobicContact CE1-CG2 4.37Å; F258-V329 HydrophobicContact CG-CB 4.43Å; Y259-V329 PolarHBondContact N-O 2.83Å; L284-V329 HydrophobicContact CD2-CG1 3.94Å; L284-V329 HydrophobicContact CD2-CG2 4.12Å; F285-V329 HydrophobicContact CE1-CG2 3.98Å; F306-V329 HydrophobicContact CB-CG1 4.05Å; F306-V329 HydrophobicContact CD1-CG1 3.71Å; F306-V329 HydrophobicContact CG-CG1 4.23Å; A307-V329 CarbonylContact O-C 2.98Å; A307-V329 WeakPolarHBondContact O-CA 3.16Å; L327-V329 HydrophobicContact CD2-CG2 4.45Å
330I96.9Very high82.8Confident33 Ų3358.3 Ų58.317%0.16935%0.347CS..EExtended strand (participates in β ladder)trans-90.9127.9172.6-57.3170.9000108.7L263 F306 A307 N309L263-I330 HydrophobicContact CD2-CD1 3.67Å; L263-I330 HydrophobicContact CD2-CG1 4.02Å; F306-I330 CarbonylContact C-O 3.55Å; F306-I330 WeakPolarHBondContact CA-O 3.47Å; A307-I330 HydrophobicContact CB-CB 4.42Å; A307-I330 PolarHBondContact N-O 3.15Å; A307-I330 PolarHBondContact O-N 3.09Å; N309-I330 HydrophobicContact CB-CD1 3.98Å; N309-I330 HydrophobicContact CB-CG1 4.28Å
331V97.4Very high85.6Confident0 Ų051.5 Ų51.50%032%0.321CS..EExtended strand (participates in β ladder)trans-91.8111.8172.2-171.30000108.2F258 Y259 P261 L305 F306 F336 C337 L340F258-V331 HydrophobicContact CB-CG2 4.29Å; F258-V331 HydrophobicContact CD1-CG2 3.84Å; Y259-V331 PolarHBondContact O-N 2.92Å; P261-V331 VanDerWaalsContact CD-O 3.26Å; P261-V331 WeakPolarHBondContact CD-O 3.48Å; P261-V331 VanDerWaalsContact CG-O 3.32Å; P261-V331 WeakPolarHBondContact CG-O 3.45Å; L305-V331 WeakPolarHBondContact O-CA 3.36Å; F306-V331 HydrophobicContact CD1-CG2 4.29Å; F306-V331 HydrophobicContact CE1-CG1 4.49Å; F306-V331 HydrophobicContact CE1-CG2 4.15Å; V331-F336 HydrophobicContact CG1-CD1 3.81Å; V331-F336 HydrophobicContact CG1-CE1 4.46Å; V331-C337 HydrophobicContact CB-CB 3.9Å; V331-C337 HydrophobicContact CG1-CB 3.68Å; V331-L340 HydrophobicContact CG2-CD2 3.8Å
332K96.1Very high88.4Confident104 Ų10447.8 Ų47.845%0.45229%0.293SS..  trans-70.7-36.8-171.8-64.4177.7-179.8175.30112.8Q303 D304 L305 F306 A334Q303-K332 PolarHBondContact O-NZ 3.28Å; D304-K332 WeakPolarHBondContact O-CD 3.46Å; L305-K332 PolarHBondContact O-N 3.49Å; F306-K332 WeakPolarHBondContact O-CE 3.39Å; K332-A334 PolarHBondContact O-N 2.95Å
333D95.2Very high90.9Very high37 Ų3742.6 Ų42.620%0.19826%0.257CS..  trans-84.3113179.9-178-30.6000110.7L305 V335 F336 C337 K377L305-D333 HydrophobicContact CD2-CB 4.14Å; D333-V335 PolarHBondContact O-N 3.4Å; D333-V335 WeakPolarHBondContact OD1-CA 3.48Å; D333-V335 WeakPolarHBondContact OD1-CB 3.45Å; D333-V335 PolarHBondContact OD1-N 3.43Å; D333-F336 HydrophobicContact CB-CB 3.91Å; D333-F336 PolarHBondContact OD1-N 3.24Å; D333-C337 WeakPolarHBondContact O-CB 3.5Å; D333-C337 PolarHBondContact O-N 2.8Å; D333-K377 IonicContact OD2-NZ 2.55Å; D333-K377 PolarHBondContact OD2-NZ 3.33Å
334A93.8Very high92.9Very high66 Ų6640.3 Ų40.355%0.54523%0.233SC..Hα-helixtrans-64.7-35.9-178.300000113.7K332 S338K332-A334 PolarHBondContact O-N 2.95Å; A334-S338 PolarHBondContact O-N 3.5Å; A334-S338 VanDerWaalsContact O-N 3.07Å
335V94.8Very high94.4Very high42 Ų4236.3 Ų36.326%0.25521%0.206SC..Hα-helixtrans-69.1-50.4179.7178.50000109.2D333 C337 S338 L365 D370 V374D333-V335 PolarHBondContact O-N 3.4Å; D333-V335 WeakPolarHBondContact OD1-CA 3.48Å; D333-V335 WeakPolarHBondContact OD1-CB 3.45Å; D333-V335 PolarHBondContact OD1-N 3.43Å; V335-C337 VanDerWaalsContact C-N 3.31Å; V335-C337 PolarHBondContact O-N 3.28Å; V335-S338 PolarHBondContact O-N 3.43Å; V335-S338 PolarHBondContact O-OG 3.24Å; V335-L365 HydrophobicContact CG1-CD1 3.84Å; V335-L365 HydrophobicContact CG1-CD2 3.89Å; V335-D370 HydrophobicContact CG1-CB 4.04Å; V335-V374 HydrophobicContact CG1-CG2 4.01Å
336F96.3Very high95Very high1 Ų131.9 Ų31.90%0.00418%0.176CC..Hα-helixtrans-59.9-42.5175.5-177.7-90.4000111.7F306 V331 D333 S338 C339 L340 I343 V374 K377 V378 I381F306-F336 HydrophobicContact CZ-CE1 4.22Å; V331-F336 HydrophobicContact CG1-CD1 3.81Å; V331-F336 HydrophobicContact CG1-CE1 4.46Å; D333-F336 HydrophobicContact CB-CB 3.91Å; D333-F336 PolarHBondContact OD1-N 3.24Å; F336-S338 VanDerWaalsContact C-N 3.28Å; F336-S338 PolarHBondContact O-N 3.34Å; F336-C339 PolarHBondContact O-N 3.26Å; F336-C339 VanDerWaalsContact O-N 3.1Å; F336-L340 HydrophobicContact CE1-CD1 4.1Å; F336-L340 PolarHBondContact O-N 2.9Å; F336-I343 HydrophobicContact CD2-CD1 4.08Å; F336-I343 HydrophobicContact CE1-CD1 4.42Å; F336-I343 HydrophobicContact CE2-CD1 3.56Å; F336-I343 HydrophobicContact CZ-CD1 3.74Å; F336-V374 HydrophobicContact CD2-CG1 4.06Å; F336-V374 HydrophobicContact CE2-CG1 4.49Å; F336-K377 HydrophobicContact CD2-CB 3.86Å; F336-K377 HydrophobicContact CD2-CD 3.96Å; F336-K377 HydrophobicContact CE2-CB 3.81Å; F336-K377 HydrophobicContact CG-CD 4.48Å; F336-V378 HydrophobicContact CE2-CG2 4.13Å; F336-I381 HydrophobicContact CE1-CD1 4.33Å; F336-I381 HydrophobicContact CE2-CD1 4Å; F336-I381 HydrophobicContact CZ-CD1 3.44Å; F336-I381 VanDerWaalsContact CZ-CD1 3.44Å
337C96.4Very high95.1Very high5 Ų529.7 Ų29.73%0.03416%0.162CC..Hα-helixtrans-58-38.7177.8-174.20000112.5N260 V331 D333 V335 C339 L340N260-C337 VanDerWaalsContact CA-SG 3.59Å; N260-C337 VanDerWaalsContact CB-SG 3.53Å; V331-C337 HydrophobicContact CB-CB 3.9Å; V331-C337 HydrophobicContact CG1-CB 3.68Å; D333-C337 WeakPolarHBondContact O-CB 3.5Å; D333-C337 PolarHBondContact O-N 2.8Å; V335-C337 VanDerWaalsContact C-N 3.31Å; V335-C337 PolarHBondContact O-N 3.28Å; C337-C339 PolarHBondContact O-N 2.95Å; C337-L340 WeakPolarHBondContact O-CB 3.41Å; C337-L340 PolarHBondContact O-N 2.88Å; C337-L340 VanDerWaalsContact O-N 3.15Å
338S94.9Very high95Very high63 Ų6327.6 Ų27.644%0.44115%0.151SC..Hα-helixtrans-64.7-23.4178.2780000114.2A334 V335 F336A334-S338 PolarHBondContact O-N 3.5Å; A334-S338 VanDerWaalsContact O-N 3.07Å; V335-S338 PolarHBondContact O-N 3.43Å; V335-S338 PolarHBondContact O-OG 3.24Å; F336-S338 VanDerWaalsContact C-N 3.28Å; F336-S338 PolarHBondContact O-N 3.34Å
339C96.9Very high94.7Very high0 Ų025.3 Ų25.30%014%0.144CC..THydrogen-bonded Turntrans-100.1-1177.8-60.80000113.2F336 C337 S341 D342 I343 I361 V374F336-C339 PolarHBondContact O-N 3.26Å; F336-C339 VanDerWaalsContact O-N 3.1Å; C337-C339 PolarHBondContact O-N 2.95Å; C339-S341 VanDerWaalsContact C-N 3.3Å; C339-S341 PolarHBondContact O-N 2.98Å; C339-D342 PolarHBondContact O-N 3.25Å; C339-D342 VanDerWaalsContact O-N 3.12Å; C339-I343 HydrophobicContact CB-CD1 4.06Å; C339-I343 WeakPolarHBondContact O-CG1 3.28Å; C339-I343 PolarHBondContact O-N 2.86Å; C339-I343 VanDerWaalsContact O-N 3.11Å; C339-I361 HydrophobicContact CB-CG1 4.24Å; C339-V374 HydrophobicContact CB-CG1 4.24Å
340L96.4Very high94Very high1 Ų126 Ų261%0.00515%0.152CC..Hα-helixtrans-60.1-39.2-169.4-17961.2000112.7F258 V266 V267 V331 F336 C337 D342 I343 L344F258-L340 HydrophobicContact CB-CD2 3.53Å; F258-L340 HydrophobicContact CD1-CD2 3.82Å; F258-L340 HydrophobicContact CD2-CD2 4.22Å; F258-L340 HydrophobicContact CG-CD2 3.6Å; V266-L340 HydrophobicContact CG1-CB 4.4Å; V267-L340 HydrophobicContact CG1-CD2 3.7Å; V267-L340 HydrophobicContact CG1-CG 3.87Å; V331-L340 HydrophobicContact CG2-CD2 3.8Å; F336-L340 HydrophobicContact CE1-CD1 4.1Å; F336-L340 PolarHBondContact O-N 2.9Å; C337-L340 WeakPolarHBondContact O-CB 3.41Å; C337-L340 PolarHBondContact O-N 2.88Å; C337-L340 VanDerWaalsContact O-N 3.15Å; L340-D342 VanDerWaalsContact C-N 3.31Å; L340-D342 PolarHBondContact O-N 3.22Å; L340-I343 PolarHBondContact O-N 2.85Å; L340-L344 HydrophobicContact CD1-CD2 4.19Å; L340-L344 HydrophobicContact CD1-CG 4.06Å; L340-L344 HydrophobicContact CG-CD1 4.5Å; L340-L344 HydrophobicContact CG-CG 4.25Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 2.92Å
341S94.9Very high93.5Very high49 Ų4924.5 Ų24.534%0.34314%0.144SC..Hα-helixtrans-60.1-39.8178.7-49.20000112.4C339 R345C339-S341 VanDerWaalsContact C-N 3.3Å; C339-S341 PolarHBondContact O-N 2.98Å; S341-R345 WeakPolarHBondContact O-CB 3.45Å; S341-R345 PolarHBondContact O-N 3.39Å
342D95.2Very high92.6Very high22 Ų2230.2 Ų30.212%0.11817%0.169CC..Hα-helixtrans-72.8-36.9178.5-39.6-62.7000110.9C339 L340 R345 F346 L357 K364C339-D342 PolarHBondContact O-N 3.25Å; C339-D342 VanDerWaalsContact O-N 3.12Å; L340-D342 VanDerWaalsContact C-N 3.31Å; L340-D342 PolarHBondContact O-N 3.22Å; D342-R345 WeakPolarHBondContact O-CB 3.26Å; D342-R345 PolarHBondContact O-N 3.29Å; D342-F346 WeakPolarHBondContact O-CB 3.35Å; D342-F346 PolarHBondContact O-N 3.32Å; D342-L357 HydrophobicContact CB-CD1 4.25Å; D342-K364 IonicContact OD1-NZ 2.92Å; D342-K364 PolarHBondContact OD1-NZ 3.34Å; D342-K364 WeakPolarHBondContact OD2-CD 3.49Å; D342-K364 WeakPolarHBondContact OD2-CE 3.27Å; D342-K364 IonicContact OD2-NZ 2.63Å; D342-K364 PolarHBondContact OD2-NZ 3.37Å
343I95.8Very high91.9Very high2 Ų228.8 Ų28.81%0.0116%0.164CC..Hα-helixtrans-63.7-42.5176-64.3165.4000110.5F336 C339 L340 F346 I347 L357 I361 V374 V378F336-I343 HydrophobicContact CD2-CD1 4.08Å; F336-I343 HydrophobicContact CE1-CD1 4.42Å; F336-I343 HydrophobicContact CE2-CD1 3.56Å; F336-I343 HydrophobicContact CZ-CD1 3.74Å; C339-I343 HydrophobicContact CB-CD1 4.06Å; C339-I343 WeakPolarHBondContact O-CG1 3.28Å; C339-I343 PolarHBondContact O-N 2.86Å; C339-I343 VanDerWaalsContact O-N 3.11Å; L340-I343 PolarHBondContact O-N 2.85Å; I343-F346 WeakPolarHBondContact O-CB 3.35Å; I343-F346 PolarHBondContact O-N 3.41Å; I343-I347 HydrophobicContact CG2-CD1 4.18Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å; I343-I347 PolarHBondContact O-N 3.3Å; I343-L357 HydrophobicContact CG1-CD1 4.21Å; I343-I361 HydrophobicContact CG1-CD1 4.49Å; I343-V374 HydrophobicContact CD1-CG1 3.91Å; I343-V378 HydrophobicContact CD1-CG2 3.71Å; I343-V378 HydrophobicContact CG1-CG2 3.8Å; I343-V378 HydrophobicContact CG2-CG1 4.39Å; I343-V378 HydrophobicContact CG2-CG2 3.94Å
344L95.1Very high91.5Very high0 Ų029.3 Ų29.30%016%0.163CC..Hα-helixtrans-67.1-43.4175.4-67.8-164.8000111.2L248 F258 V267 A269 L274 L340 F346 I347 Y348L248-L344 HydrophobicContact CD1-CB 4.47Å; L248-L344 HydrophobicContact CD1-CD1 4.46Å; L248-L344 HydrophobicContact CD2-CB 3.98Å; F258-L344 HydrophobicContact CD2-CD1 4.42Å; F258-L344 HydrophobicContact CE2-CD1 4.39Å; V267-L344 HydrophobicContact CB-CD1 4.32Å; V267-L344 HydrophobicContact CG1-CD1 3.46Å; V267-L344 VanDerWaalsContact CG1-CD1 3.46Å; V267-L344 HydrophobicContact CG1-CG 4.4Å; V267-L344 HydrophobicContact CG2-CD1 3.87Å; A269-L344 HydrophobicContact CB-CD1 3.95Å; L274-L344 HydrophobicContact CD2-CD2 3.67Å; L340-L344 HydrophobicContact CD1-CD2 4.19Å; L340-L344 HydrophobicContact CD1-CG 4.06Å; L340-L344 HydrophobicContact CG-CD1 4.5Å; L340-L344 HydrophobicContact CG-CG 4.25Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 2.92Å; L344-F346 PolarHBondContact O-N 3.27Å; L344-I347 HydrophobicContact CD2-CD1 4.14Å; L344-I347 WeakPolarHBondContact O-CB 3.33Å; L344-I347 PolarHBondContact O-N 3.39Å; L344-Y348 VanDerWaalsContact O-CD2 3.25Å; L344-Y348 WeakPolarHBondContact O-CD2 3.39Å; L344-Y348 PolarHBondContact O-N 2.96Å
345R93.6Very high91.3Very high81 Ų8133.1 Ų33.131%0.30617%0.17SC..Hα-helixtrans-53.8-44.1173.7-170.5174.179.2109.84.4111.6F249 S341 D342 Y348 S349 E356 D360F249-R345 HydrophobicContact CZ-CG 4.5Å; S341-R345 WeakPolarHBondContact O-CB 3.45Å; S341-R345 PolarHBondContact O-N 3.39Å; D342-R345 WeakPolarHBondContact O-CB 3.26Å; D342-R345 PolarHBondContact O-N 3.29Å; R345-Y348 PolarHBondContact O-N 3.18Å; R345-S349 WeakPolarHBondContact O-CB 3.4Å; R345-S349 PolarHBondContact O-N 2.88Å; R345-S349 PolarHBondContact O-OG 3.02Å; R345-E356 IonicContact CZ-OE1 3.63Å; R345-E356 IonicContact NH1-OE1 3.52Å; R345-E356 IonicContact NH2-OE1 3.11Å; R345-E356 PolarHBondContact NH2-OE1 3.22Å; R345-D360 IonicContact CZ-OD2 3.82Å; R345-D360 IonicContact NH2-OD2 3.19Å; R345-D360 PolarHBondContact NH2-OD2 3.27Å
346F92.2Very high91Very high9 Ų934.7 Ų34.74%0.03918%0.175CC..Hα-helixtrans-63.3-40.5174.3167.3-103.7000113.4D342 I343 L344 S349 A351 W354 L357 V378 L382D342-F346 WeakPolarHBondContact O-CB 3.35Å; D342-F346 PolarHBondContact O-N 3.32Å; I343-F346 WeakPolarHBondContact O-CB 3.35Å; I343-F346 PolarHBondContact O-N 3.41Å; L344-F346 PolarHBondContact O-N 3.27Å; F346-S349 PolarHBondContact O-OG 3.19Å; F346-A351 HydrophobicContact CD1-CB 4.33Å; F346-A351 HydrophobicContact CE1-CB 3.71Å; F346-A351 HydrophobicContact CE2-CB 4.35Å; F346-A351 HydrophobicContact CZ-CB 3.7Å; F346-A351 VanDerWaalsContact CZ-O 3.3Å; F346-A351 WeakPolarHBondContact CZ-O 3.38Å; F346-A351 VanDerWaalsContact O-CA 3.26Å; F346-A351 WeakPolarHBondContact O-CA 3.38Å; F346-A351 PolarHBondContact O-N 3.46Å; F346-W354 HydrophobicContact CE1-CD2 4.36Å; F346-W354 HydrophobicContact CE1-CE3 4.43Å; F346-W354 HydrophobicContact CE1-CH2 4.06Å; F346-W354 AromaticContact CE1-CZ2 3.93Å; F346-W354 HydrophobicContact CE1-CZ2 3.93Å; F346-W354 HydrophobicContact CE1-CZ3 4.29Å; F346-W354 HydrophobicContact CE2-CD2 4.21Å; F346-W354 HydrophobicContact CE2-CG 4.2Å; F346-W354 AromaticContact CZ-CD2 3.61Å; F346-W354 HydrophobicContact CZ-CD2 3.61Å; F346-W354 AromaticContact CZ-CE2 3.41Å; F346-W354 VanDerWaalsContact CZ-CE2 3.41Å; F346-W354 HydrophobicContact CZ-CE3 4.05Å; F346-W354 HydrophobicContact CZ-CG 4.02Å; F346-W354 HydrophobicContact CZ-CH2 4.18Å; F346-W354 AromaticContact CZ-CZ2 3.7Å; F346-W354 HydrophobicContact CZ-CZ2 3.7Å; F346-W354 HydrophobicContact CZ-CZ3 4.32Å; F346-W354 AromaticContact CZ-NE1 3.65Å; F346-L357 HydrophobicContact CB-CB 4.35Å; F346-L357 HydrophobicContact CB-CD1 4Å; F346-L357 HydrophobicContact CB-CD2 4.19Å; F346-L357 HydrophobicContact CB-CG 4.4Å; F346-L357 HydrophobicContact CD1-CD2 3.63Å; F346-L357 HydrophobicContact CD2-CB 4.05Å; F346-L357 HydrophobicContact CD2-CD2 4.22Å; F346-L357 HydrophobicContact CE1-CD2 3.97Å; F346-L357 HydrophobicContact CG-CB 4.19Å; F346-L357 HydrophobicContact CG-CD1 4.45Å; F346-L357 HydrophobicContact CG-CD2 3.75Å; F346-L357 HydrophobicContact CG-CG 4.34Å; F346-L357 HydrophobicContact CZ-CD2 4.44Å; F346-V378 HydrophobicContact CE1-CG1 4.29Å; F346-L382 HydrophobicContact CE1-CD1 3.66Å; F346-L382 HydrophobicContact CZ-CD1 4.42Å
347I91.4Very high90.8Very high4 Ų434.9 Ų34.92%0.02118%0.176CC..Hα-helixtrans-64-47.4176-74.8168.5000111V273 L274 V277 F281 I343 L344 S349 G350 L382V273-I347 HydrophobicContact CG1-CG2 4.48Å; L274-I347 HydrophobicContact CD2-CG2 4.42Å; V277-I347 HydrophobicContact CG1-CG2 4.36Å; V277-I347 HydrophobicContact CG2-CG1 4.48Å; V277-I347 HydrophobicContact CG2-CG2 3.59Å; F281-I347 HydrophobicContact CE2-CD1 4.39Å; I343-I347 HydrophobicContact CG2-CD1 4.18Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å; I343-I347 PolarHBondContact O-N 3.3Å; L344-I347 HydrophobicContact CD2-CD1 4.14Å; L344-I347 WeakPolarHBondContact O-CB 3.33Å; L344-I347 PolarHBondContact O-N 3.39Å; I347-S349 VanDerWaalsContact C-N 3.3Å; I347-S349 PolarHBondContact O-N 2.66Å; I347-G350 PolarHBondContact O-N 2.67Å; I347-L382 HydrophobicContact CG1-CD2 4.35Å
348Y92Very high90.6Very high0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-72.3-22.9-177.3-81-106.3000113L244 L247 L248 H270 V273 L274 L344 R345 G350L244-Y348 HydrophobicContact CB-CD1 4.45Å; L244-Y348 WeakPolarHBondContact CB-O 3.44Å; L244-Y348 WeakPolarHBondContact O-CD1 3.26Å; L247-Y348 HydrophobicContact CD2-CE1 4.39Å; L248-Y348 HydrophobicContact CB-CD1 3.86Å; L248-Y348 HydrophobicContact CB-CD2 4.35Å; L248-Y348 HydrophobicContact CB-CE1 4.05Å; L248-Y348 HydrophobicContact CB-CG 3.96Å; L248-Y348 HydrophobicContact CD1-CD2 4.24Å; L248-Y348 HydrophobicContact CD1-CE1 4.48Å; L248-Y348 HydrophobicContact CD1-CE2 3.88Å; L248-Y348 HydrophobicContact CD2-CD2 3.96Å; L248-Y348 HydrophobicContact CD2-CE2 4.42Å; L248-Y348 HydrophobicContact CD2-CG 4.14Å; L248-Y348 HydrophobicContact CG-CD2 4.42Å; L248-Y348 HydrophobicContact CG-CG 4.49Å; H270-Y348 WeakPolarHBondContact CB-OH 3.44Å; H270-Y348 PolarHBondContact N-OH 2.82Å; H270-Y348 AromaticContact ND1-CE1 3.67Å; H270-Y348 AromaticContact ND1-CZ 3.69Å; H270-Y348 PolarHBondContact ND1-OH 3.27Å; V273-Y348 HydrophobicContact CB-CD1 4.48Å; V273-Y348 HydrophobicContact CB-CE1 3.88Å; V273-Y348 HydrophobicContact CB-CE2 4.38Å; V273-Y348 HydrophobicContact CG1-CD1 3.81Å; V273-Y348 HydrophobicContact CG1-CD2 4.08Å; V273-Y348 HydrophobicContact CG1-CE1 3.69Å; V273-Y348 HydrophobicContact CG1-CE2 3.93Å; V273-Y348 HydrophobicContact CG1-CG 4.07Å; V273-Y348 HydrophobicContact CG2-CD1 4.42Å; V273-Y348 HydrophobicContact CG2-CE1 3.78Å; L274-Y348 HydrophobicContact CD2-CE2 4.39Å; L344-Y348 VanDerWaalsContact O-CD2 3.25Å; L344-Y348 WeakPolarHBondContact O-CD2 3.39Å; L344-Y348 PolarHBondContact O-N 2.96Å; R345-Y348 PolarHBondContact O-N 3.18Å; Y348-G350 PolarHBondContact O-N 3.33Å
349S87Confident90.5Very high12 Ų1239.3 Ų39.38%0.08419%0.189CC..THydrogen-bonded Turntrans-76.90168.472.10000113.3R345 F346 I347 F352R345-S349 WeakPolarHBondContact O-CB 3.4Å; R345-S349 PolarHBondContact O-N 2.88Å; R345-S349 PolarHBondContact O-OG 3.02Å; F346-S349 PolarHBondContact O-OG 3.19Å; I347-S349 VanDerWaalsContact C-N 3.3Å; I347-S349 PolarHBondContact O-N 2.66Å; S349-F352 WeakPolarHBondContact O-CD1 3.47Å; S349-F352 WeakPolarHBondContact O-CE1 3.3Å
350G82.6Confident90.3Very high16 Ų1640.5 Ų40.517%0.16520%0.195CC..THydrogen-bonded Turntrans94.916.8177.800000114.4I347 Y348 F352I347-G350 PolarHBondContact O-N 2.67Å; Y348-G350 PolarHBondContact O-N 3.33Å; G350-F352 VanDerWaalsContact C-N 3.28Å; G350-F352 PolarHBondContact O-N 3.32Å
351A84.6Confident90.3Very high1 Ų140.5 Ų40.51%0.00820%0.195CC..SBendtrans5535171.200000115.3F346 W354 L382 Y406F346-A351 HydrophobicContact CD1-CB 4.33Å; F346-A351 HydrophobicContact CE1-CB 3.71Å; F346-A351 HydrophobicContact CE2-CB 4.35Å; F346-A351 HydrophobicContact CZ-CB 3.7Å; F346-A351 VanDerWaalsContact CZ-O 3.3Å; F346-A351 WeakPolarHBondContact CZ-O 3.38Å; F346-A351 VanDerWaalsContact O-CA 3.26Å; F346-A351 WeakPolarHBondContact O-CA 3.38Å; F346-A351 PolarHBondContact O-N 3.46Å; A351-W354 PolarHBondContact O-NE1 3.07Å; A351-L382 HydrophobicContact CB-CD1 4Å; A351-Y406 HydrophobicContact CB-CE1 4.43Å
352F78.8Confident90.2Very high120 Ų12043.8 Ų43.853%0.52620%0.2SC..  trans-107.2-22.4-177.574.8-91.5000114.4S349 G350 W354S349-F352 WeakPolarHBondContact O-CD1 3.47Å; S349-F352 WeakPolarHBondContact O-CE1 3.3Å; G350-F352 VanDerWaalsContact C-N 3.28Å; G350-F352 PolarHBondContact O-N 3.32Å; F352-W354 PolarHBondContact O-N 3.18Å
353Q82.8Confident90.2Very high74 Ų7450.1 Ų50.135%0.34623%0.226SC..  trans-93.260.6-176.1-58.9176.2-60.500112.9E355 E356 L357Q353-E355 VanDerWaalsContact C-N 3.3Å; Q353-E355 PolarHBondContact O-N 3.18Å; Q353-E356 HydrophobicContact CB-CB 4.09Å; Q353-E356 PolarHBondContact NE2-OE2 3.33Å; Q353-E356 PolarHBondContact O-N 2.86Å; Q353-E356 PolarHBondContact OE1-OE2 3.43Å; Q353-L357 PolarHBondContact O-N 3.31Å; Q353-L357 VanDerWaalsContact O-N 3.15Å
354W86.4Confident90.1Very high47 Ų4754.9 Ų54.918%0.17825%0.247CC..Hα-helixtrans-60.4-37.4-176.9-7794.5000114F346 A351 F352 L357 E358 V378 K379 L382 L391F346-W354 HydrophobicContact CE1-CD2 4.36Å; F346-W354 HydrophobicContact CE1-CE3 4.43Å; F346-W354 HydrophobicContact CE1-CH2 4.06Å; F346-W354 AromaticContact CE1-CZ2 3.93Å; F346-W354 HydrophobicContact CE1-CZ2 3.93Å; F346-W354 HydrophobicContact CE1-CZ3 4.29Å; F346-W354 HydrophobicContact CE2-CD2 4.21Å; F346-W354 HydrophobicContact CE2-CG 4.2Å; F346-W354 AromaticContact CZ-CD2 3.61Å; F346-W354 HydrophobicContact CZ-CD2 3.61Å; F346-W354 AromaticContact CZ-CE2 3.41Å; F346-W354 VanDerWaalsContact CZ-CE2 3.41Å; F346-W354 HydrophobicContact CZ-CE3 4.05Å; F346-W354 HydrophobicContact CZ-CG 4.02Å; F346-W354 HydrophobicContact CZ-CH2 4.18Å; F346-W354 AromaticContact CZ-CZ2 3.7Å; F346-W354 HydrophobicContact CZ-CZ2 3.7Å; F346-W354 HydrophobicContact CZ-CZ3 4.32Å; F346-W354 AromaticContact CZ-NE1 3.65Å; A351-W354 PolarHBondContact O-NE1 3.07Å; F352-W354 PolarHBondContact O-N 3.18Å; W354-L357 HydrophobicContact CE3-CD2 4.3Å; W354-L357 HydrophobicContact CZ3-CD2 4.31Å; W354-L357 PolarHBondContact O-N 3.49Å; W354-E358 PolarHBondContact O-N 3.13Å; W354-V378 HydrophobicContact CH2-CB 4.47Å; W354-V378 HydrophobicContact CH2-CG1 3.73Å; W354-V378 HydrophobicContact CZ3-CB 4.32Å; W354-V378 HydrophobicContact CZ3-CG1 3.81Å; W354-K379 HydrophobicContact CH2-CG 4.07Å; W354-K379 HydrophobicContact CZ3-CG 4.23Å; W354-L382 HydrophobicContact CH2-CD1 3.85Å; W354-L382 HydrophobicContact CZ2-CD1 3.71Å; W354-L391 HydrophobicContact CH2-CD2 3.91Å; W354-L391 HydrophobicContact CZ2-CD2 3.34Å
355E88.4Confident90Very high146 Ų14655.8 Ų55.868%0.68225%0.252SS*.Hα-helixtrans-64.5-42179.2-64177.9179.100111.2Q353 E358 E359Q353-E355 VanDerWaalsContact C-N 3.3Å; Q353-E355 PolarHBondContact O-N 3.18Å; E355-E358 PolarHBondContact O-N 2.81Å; E355-E359 WeakPolarHBondContact O-CG 2.94Å; E355-E359 PolarHBondContact O-N 3.45Å
356E89.7Confident89.6Confident76 Ų7662.5 Ų62.536%0.35528%0.283SS..Hα-helixtrans-64.8-43.5176.8-170.2-178.8161.600111.1R345 Q353 E358 E359 D360R345-E356 IonicContact CZ-OE1 3.63Å; R345-E356 IonicContact NH1-OE1 3.52Å; R345-E356 IonicContact NH2-OE1 3.11Å; R345-E356 PolarHBondContact NH2-OE1 3.22Å; Q353-E356 HydrophobicContact CB-CB 4.09Å; Q353-E356 PolarHBondContact NE2-OE2 3.33Å; Q353-E356 PolarHBondContact O-N 2.86Å; Q353-E356 PolarHBondContact OE1-OE2 3.43Å; E356-E358 PolarHBondContact O-N 3.24Å; E356-E359 PolarHBondContact O-N 2.99Å; E356-D360 WeakPolarHBondContact O-CB 3.5Å; E356-D360 PolarHBondContact O-N 3.47Å
357L92.6Very high89.6Confident5 Ų566.3 Ų66.33%0.02630%0.304CS..Hα-helixtrans-59.9-46.5175.9176.566.3000111.7D342 I343 F346 Q353 W354 E359 D360 I361 I375 V378D342-L357 HydrophobicContact CB-CD1 4.25Å; I343-L357 HydrophobicContact CG1-CD1 4.21Å; F346-L357 HydrophobicContact CB-CB 4.35Å; F346-L357 HydrophobicContact CB-CD1 4Å; F346-L357 HydrophobicContact CB-CD2 4.19Å; F346-L357 HydrophobicContact CB-CG 4.4Å; F346-L357 HydrophobicContact CD1-CD2 3.63Å; F346-L357 HydrophobicContact CD2-CB 4.05Å; F346-L357 HydrophobicContact CD2-CD2 4.22Å; F346-L357 HydrophobicContact CE1-CD2 3.97Å; F346-L357 HydrophobicContact CG-CB 4.19Å; F346-L357 HydrophobicContact CG-CD1 4.45Å; F346-L357 HydrophobicContact CG-CD2 3.75Å; F346-L357 HydrophobicContact CG-CG 4.34Å; F346-L357 HydrophobicContact CZ-CD2 4.44Å; Q353-L357 PolarHBondContact O-N 3.31Å; Q353-L357 VanDerWaalsContact O-N 3.15Å; W354-L357 HydrophobicContact CE3-CD2 4.3Å; W354-L357 HydrophobicContact CZ3-CD2 4.31Å; W354-L357 PolarHBondContact O-N 3.49Å; L357-E359 VanDerWaalsContact C-N 3.35Å; L357-E359 PolarHBondContact O-N 3.42Å; L357-D360 PolarHBondContact O-N 3.27Å; L357-I361 HydrophobicContact CD1-CD1 3.75Å; L357-I361 HydrophobicContact CD1-CG1 4.15Å; L357-I361 HydrophobicContact CD2-CD1 4.38Å; L357-I361 HydrophobicContact CG-CD1 3.78Å; L357-I361 HydrophobicContact CG-CG1 4.48Å; L357-I361 VanDerWaalsContact O-CG1 3.29Å; L357-I361 WeakPolarHBondContact O-CG1 3.37Å; L357-I361 PolarHBondContact O-N 2.96Å; L357-I375 HydrophobicContact CD2-CD1 4.45Å; L357-V378 HydrophobicContact CD2-CG1 4.16Å
358E91.6Very high89.5Confident76 Ų7670.9 Ų70.936%0.35534%0.336SS..Hα-helixtrans-63.4-42.2-179.2-169.2-178.4153.300111.5W354 E355 E356 I361 R362 V371 I375W354-E358 PolarHBondContact O-N 3.13Å; E355-E358 PolarHBondContact O-N 2.81Å; E356-E358 PolarHBondContact O-N 3.24Å; E358-I361 PolarHBondContact O-N 3.12Å; E358-R362 VanDerWaalsContact O-CB 3.29Å; E358-R362 WeakPolarHBondContact O-CB 3.38Å; E358-R362 PolarHBondContact O-N 3.49Å; E358-R362 IonicContact OE1-CZ 3.98Å; E358-R362 IonicContact OE1-NH2 3.9Å; E358-R362 PolarHBondContact OE1-NH2 2.97Å; E358-V371 HydrophobicContact CG-CG1 4.42Å; E358-I375 HydrophobicContact CB-CD1 4.28Å; E358-I375 HydrophobicContact CG-CD1 4.37Å; E358-I375 HydrophobicContact CG-CG1 4.44Å
359E92.2Very high89.5Confident84 Ų8472.7 Ų72.739%0.39336%0.355SS..Hα-helixtrans-65.3-39.9176.2-71.6-60.5137.600112.1E355 E356 L357 R362 K363E355-E359 WeakPolarHBondContact O-CG 2.94Å; E355-E359 PolarHBondContact O-N 3.45Å; E356-E359 PolarHBondContact O-N 2.99Å; L357-E359 VanDerWaalsContact C-N 3.35Å; L357-E359 PolarHBondContact O-N 3.42Å; E359-R362 PolarHBondContact O-N 2.93Å; E359-R362 IonicContact OE1-CZ 3.34Å; E359-R362 VanDerWaalsContact OE1-CZ 3.31Å; E359-R362 IonicContact OE1-NH1 2.89Å; E359-R362 PolarHBondContact OE1-NH1 3.29Å; E359-R362 IonicContact OE1-NH2 2.67Å; E359-R362 IonicContact OE2-NH1 2.66Å; E359-K363 VanDerWaalsContact O-CG 3.29Å; E359-K363 WeakPolarHBondContact O-CG 3.27Å; E359-K363 PolarHBondContact O-N 3.07Å
360D93.6Very high89.8Confident26 Ų2674.8 Ų74.814%0.13937%0.365CS..Hα-helixtrans-66.4-40.1176.3-74.9-14.3000112.6R345 E356 L357 K363 K364R345-D360 IonicContact CZ-OD2 3.82Å; R345-D360 IonicContact NH2-OD2 3.19Å; R345-D360 PolarHBondContact NH2-OD2 3.27Å; E356-D360 WeakPolarHBondContact O-CB 3.5Å; E356-D360 PolarHBondContact O-N 3.47Å; L357-D360 PolarHBondContact O-N 3.27Å; D360-K363 PolarHBondContact O-N 3.39Å; D360-K363 IonicContact OD1-NZ 3.21Å; D360-K363 PolarHBondContact OD1-NZ 2.99Å; D360-K364 PolarHBondContact O-N 3.49Å
361I95.3Very high90.3Very high0 Ų074.5 Ų74.50%036%0.36CS..Hα-helixtrans-65.1-42.1174.1-68.6169.7000110.4C339 I343 L357 E358 K363 K364 L365 V371 V374 I375C339-I361 HydrophobicContact CB-CG1 4.24Å; I343-I361 HydrophobicContact CG1-CD1 4.49Å; L357-I361 HydrophobicContact CD1-CD1 3.75Å; L357-I361 HydrophobicContact CD1-CG1 4.15Å; L357-I361 HydrophobicContact CD2-CD1 4.38Å; L357-I361 HydrophobicContact CG-CD1 3.78Å; L357-I361 HydrophobicContact CG-CG1 4.48Å; L357-I361 VanDerWaalsContact O-CG1 3.29Å; L357-I361 WeakPolarHBondContact O-CG1 3.37Å; L357-I361 PolarHBondContact O-N 2.96Å; E358-I361 PolarHBondContact O-N 3.12Å; I361-K363 VanDerWaalsContact C-N 3.29Å; I361-K363 PolarHBondContact O-N 3.31Å; I361-K364 PolarHBondContact O-N 3.23Å; I361-L365 HydrophobicContact CG2-CD1 3.64Å; I361-L365 HydrophobicContact CG2-CG 4.18Å; I361-L365 PolarHBondContact O-N 3.48Å; I361-V371 HydrophobicContact CG2-CB 4.42Å; I361-V371 HydrophobicContact CG2-CG1 4.11Å; I361-V371 HydrophobicContact CG2-CG2 4.26Å; I361-V374 HydrophobicContact CD1-CG1 3.8Å; I361-V374 HydrophobicContact CG2-CB 4.47Å; I361-V374 HydrophobicContact CG2-CG1 4.4Å; I361-I375 HydrophobicContact CD1-CD1 3.72Å; I361-I375 HydrophobicContact CD1-CG1 4.5Å
362R93.9Very high90.7Very high119 Ų11977.8 Ų77.845%0.44938%0.384SS..Hα-helixtrans-64.7-30.6178.1-170.2-177.1-62.7164.54.2112.9E358 E359 K364 V371E358-R362 VanDerWaalsContact O-CB 3.29Å; E358-R362 WeakPolarHBondContact O-CB 3.38Å; E358-R362 PolarHBondContact O-N 3.49Å; E358-R362 IonicContact OE1-CZ 3.98Å; E358-R362 IonicContact OE1-NH2 3.9Å; E358-R362 PolarHBondContact OE1-NH2 2.97Å; E359-R362 PolarHBondContact O-N 2.93Å; E359-R362 IonicContact OE1-CZ 3.34Å; E359-R362 VanDerWaalsContact OE1-CZ 3.31Å; E359-R362 IonicContact OE1-NH1 2.89Å; E359-R362 PolarHBondContact OE1-NH1 3.29Å; E359-R362 IonicContact OE1-NH2 2.67Å; E359-R362 IonicContact OE2-NH1 2.66Å; R362-K364 VanDerWaalsContact C-N 3.31Å; R362-V371 HydrophobicContact CB-CG2 4.49Å
363K93.8Very high91.4Very high154 Ų15475.3 Ų75.367%0.6738%0.376SS*.Hα-helixtrans-67.7-32172-70.1166.7-157.8157.20112E359 D360 I361E359-K363 VanDerWaalsContact O-CG 3.29Å; E359-K363 WeakPolarHBondContact O-CG 3.27Å; E359-K363 PolarHBondContact O-N 3.07Å; D360-K363 PolarHBondContact O-N 3.39Å; D360-K363 IonicContact OD1-NZ 3.21Å; D360-K363 PolarHBondContact OD1-NZ 2.99Å; I361-K363 VanDerWaalsContact C-N 3.29Å; I361-K363 PolarHBondContact O-N 3.31Å
364K93.8Very high92Very high102 Ų10271.8 Ų71.844%0.44336%0.359SS..Hα-helixtrans-85.5-39.2-179.7-71.3-172.7178.7-179.30113.2D342 D360 I361 R362D342-K364 IonicContact OD1-NZ 2.92Å; D342-K364 PolarHBondContact OD1-NZ 3.34Å; D342-K364 WeakPolarHBondContact OD2-CD 3.49Å; D342-K364 WeakPolarHBondContact OD2-CE 3.27Å; D342-K364 IonicContact OD2-NZ 2.63Å; D342-K364 PolarHBondContact OD2-NZ 3.37Å; D360-K364 PolarHBondContact O-N 3.49Å; I361-K364 PolarHBondContact O-N 3.23Å; R362-K364 VanDerWaalsContact C-N 3.31Å
365L94.1Very high92.3Very high19 Ų1970.1 Ų70.110%0.09935%0.354CS..  trans-105.5123.4-175.5-56.4-178.5000110.4V335 I361 D370 V371 V374V335-L365 HydrophobicContact CG1-CD1 3.84Å; V335-L365 HydrophobicContact CG1-CD2 3.89Å; I361-L365 HydrophobicContact CG2-CD1 3.64Å; I361-L365 HydrophobicContact CG2-CG 4.18Å; I361-L365 PolarHBondContact O-N 3.48Å; L365-D370 HydrophobicContact CD1-CB 4.14Å; L365-V371 HydrophobicContact CB-CG2 3.8Å; L365-V371 HydrophobicContact CD1-CG2 4.43Å; L365-V374 HydrophobicContact CD1-CG2 3.86Å
366K84.4Confident92.4Very high223 Ų22367.6 Ų67.697%0.9734%0.342SS*.  trans-81.6-25.8-179.3-63.1-177.7-178.3179.80113.3
367D92Very high92.6Very high88 Ų8865.8 Ų65.847%0.47133%0.333SS..  trans-88.5125.8179.8-170.8-25.9000110.6G369 D370 V371D367-G369 VanDerWaalsContact C-N 3.28Å; D367-G369 PolarHBondContact O-N 2.68Å; D367-G369 WeakPolarHBondContact OD1-CA 3.47Å; D367-G369 PolarHBondContact OD1-N 3.48Å; D367-D370 HydrophobicContact CB-CB 4.14Å; D367-D370 PolarHBondContact O-N 3.17Å; D367-V371 WeakPolarHBondContact O-CG2 3.48Å; D367-V371 PolarHBondContact O-N 3.1Å
368S89.3Confident92.6Very high100 Ų10065.5 Ų65.570%0.69933%0.331SS*.Hα-helixtrans-66.9-28.4178.160.10000113.2S372S368-S372 WeakPolarHBondContact O-CB 3.31Å; S368-S372 PolarHBondContact O-N 2.82Å; S368-S372 VanDerWaalsContact O-N 3.08Å
369G92.4Very high92.5Very high39 Ų3964.9 Ų64.940%0.40233%0.328SS..Hα-helixtrans-65.5-42.3173.300000111.9D367 S372 N373D367-G369 VanDerWaalsContact C-N 3.28Å; D367-G369 PolarHBondContact O-N 2.68Å; D367-G369 WeakPolarHBondContact OD1-CA 3.47Å; D367-G369 PolarHBondContact OD1-N 3.48Å; G369-S372 PolarHBondContact O-N 3.41Å; G369-N373 WeakPolarHBondContact O-CB 3.4Å; G369-N373 PolarHBondContact O-N 2.83Å
370D93.8Very high92.3Very high55 Ų5562.9 Ų62.929%0.29432%0.322SS..Hα-helixtrans-66.7-42.9177-76.5-24.4000111.9V335 L365 D367 S372 N373 V374V335-D370 HydrophobicContact CG1-CB 4.04Å; L365-D370 HydrophobicContact CD1-CB 4.14Å; D367-D370 HydrophobicContact CB-CB 4.14Å; D367-D370 PolarHBondContact O-N 3.17Å; D370-S372 VanDerWaalsContact C-N 3.33Å; D370-S372 PolarHBondContact O-N 2.95Å; D370-N373 WeakPolarHBondContact O-CB 3.5Å; D370-N373 PolarHBondContact O-N 2.66Å; D370-V374 WeakPolarHBondContact O-CG2 3.08Å; D370-V374 PolarHBondContact O-N 3.41Å
371V93.1Very high92.1Very high10 Ų1061.7 Ų61.76%0.06132%0.316CS..Hα-helixtrans-55.9-50.1173.9176.30000110.2E358 I361 R362 L365 D367 N373 V374 I375E358-V371 HydrophobicContact CG-CG1 4.42Å; I361-V371 HydrophobicContact CG2-CB 4.42Å; I361-V371 HydrophobicContact CG2-CG1 4.11Å; I361-V371 HydrophobicContact CG2-CG2 4.26Å; R362-V371 HydrophobicContact CB-CG2 4.49Å; L365-V371 HydrophobicContact CB-CG2 3.8Å; L365-V371 HydrophobicContact CD1-CG2 4.43Å; D367-V371 WeakPolarHBondContact O-CG2 3.48Å; D367-V371 PolarHBondContact O-N 3.1Å; V371-N373 VanDerWaalsContact C-N 3.35Å; V371-N373 PolarHBondContact O-N 3.47Å; V371-V374 PolarHBondContact O-N 2.95Å; V371-I375 HydrophobicContact CG1-CG1 4.46Å; V371-I375 VanDerWaalsContact O-CG1 3.3Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 2.85Å
372S92.8Very high91.8Very high71 Ų7162 Ų6250%0.49732%0.317SS..Hα-helixtrans-60-44178.7-172.70000111.9S368 G369 D370 V374 I375 E376S368-S372 WeakPolarHBondContact O-CB 3.31Å; S368-S372 PolarHBondContact O-N 2.82Å; S368-S372 VanDerWaalsContact O-N 3.08Å; G369-S372 PolarHBondContact O-N 3.41Å; D370-S372 VanDerWaalsContact C-N 3.33Å; D370-S372 PolarHBondContact O-N 2.95Å; S372-V374 PolarHBondContact O-N 3.09Å; S372-I375 PolarHBondContact O-N 3.3Å; S372-E376 WeakPolarHBondContact O-CG 3.24Å; S372-E376 PolarHBondContact O-N 2.9Å
373N94.1Very high91.2Very high67 Ų6758.8 Ų58.836%0.35831%0.307SS..Hα-helixtrans-61.5-43.8178.2-175.321.2000112.4G369 D370 V371 E376 K377G369-N373 WeakPolarHBondContact O-CB 3.4Å; G369-N373 PolarHBondContact O-N 2.83Å; D370-N373 WeakPolarHBondContact O-CB 3.5Å; D370-N373 PolarHBondContact O-N 2.66Å; V371-N373 VanDerWaalsContact C-N 3.35Å; V371-N373 PolarHBondContact O-N 3.47Å; N373-E376 PolarHBondContact O-N 3.34Å; N373-K377 PolarHBondContact ND2-NZ 2.94Å; N373-K377 VanDerWaalsContact ND2-NZ 3.12Å; N373-K377 WeakPolarHBondContact O-CG 3.31Å; N373-K377 PolarHBondContact O-N 3.43Å; N373-K377 VanDerWaalsContact O-N 3.1Å; N373-K377 WeakPolarHBondContact OD1-CE 3.32Å; N373-K377 PolarHBondContact OD1-NZ 3.34Å
374V95.2Very high90.2Very high0 Ų054 Ų540%029%0.29CS..Hα-helixtrans-63.9-46.6175.9173.90000110.7V335 F336 C339 I343 I361 L365 D370 V371 S372 E376 K377 V378V335-V374 HydrophobicContact CG1-CG2 4.01Å; F336-V374 HydrophobicContact CD2-CG1 4.06Å; F336-V374 HydrophobicContact CE2-CG1 4.49Å; C339-V374 HydrophobicContact CB-CG1 4.24Å; I343-V374 HydrophobicContact CD1-CG1 3.91Å; I361-V374 HydrophobicContact CD1-CG1 3.8Å; I361-V374 HydrophobicContact CG2-CB 4.47Å; I361-V374 HydrophobicContact CG2-CG1 4.4Å; L365-V374 HydrophobicContact CD1-CG2 3.86Å; D370-V374 WeakPolarHBondContact O-CG2 3.08Å; D370-V374 PolarHBondContact O-N 3.41Å; V371-V374 PolarHBondContact O-N 2.95Å; S372-V374 PolarHBondContact O-N 3.09Å; V374-E376 VanDerWaalsContact C-N 3.35Å; V374-E376 PolarHBondContact O-N 3.44Å; V374-K377 WeakPolarHBondContact O-CB 3.27Å; V374-K377 PolarHBondContact O-N 3.23Å; V374-K377 VanDerWaalsContact O-N 3.12Å; V374-V378 HydrophobicContact CG1-CG2 4.46Å; V374-V378 WeakPolarHBondContact O-CG2 3.47Å; V374-V378 PolarHBondContact O-N 3.3Å
375I92.4Very high88.7Confident13 Ų1351.2 Ų51.27%0.06728%0.283CS..Hα-helixtrans-61.3-41.5179.3-67.6-66000111.8L357 E358 I361 V371 S372 K377 V378 K379L357-I375 HydrophobicContact CD2-CD1 4.45Å; E358-I375 HydrophobicContact CB-CD1 4.28Å; E358-I375 HydrophobicContact CG-CD1 4.37Å; E358-I375 HydrophobicContact CG-CG1 4.44Å; I361-I375 HydrophobicContact CD1-CD1 3.72Å; I361-I375 HydrophobicContact CD1-CG1 4.5Å; V371-I375 HydrophobicContact CG1-CG1 4.46Å; V371-I375 VanDerWaalsContact O-CG1 3.3Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 2.85Å; S372-I375 PolarHBondContact O-N 3.3Å; I375-K377 VanDerWaalsContact C-N 3.31Å; I375-K377 PolarHBondContact O-N 2.92Å; I375-V378 PolarHBondContact O-N 2.95Å; I375-K379 HydrophobicContact CG2-CD 4.18Å; I375-K379 WeakPolarHBondContact O-CG 3.46Å; I375-K379 PolarHBondContact O-N 3.37Å
376E90.4Very high86.9Confident93 Ų9354.6 Ų54.644%0.43532%0.322SS..Hα-helixtrans-64.7-34.4175.7-72-58.3124.500112.5S372 N373 V374 K379 C380S372-E376 WeakPolarHBondContact O-CG 3.24Å; S372-E376 PolarHBondContact O-N 2.9Å; N373-E376 PolarHBondContact O-N 3.34Å; V374-E376 VanDerWaalsContact C-N 3.35Å; V374-E376 PolarHBondContact O-N 3.44Å; E376-K379 PolarHBondContact O-N 3.02Å; E376-K379 VanDerWaalsContact OE1-CD 3.29Å; E376-K379 WeakPolarHBondContact OE1-CD 3.32Å; E376-K379 IonicContact OE1-NZ 3.31Å; E376-K379 PolarHBondContact OE1-NZ 3.46Å; E376-C380 PolarHBondContact O-N 2.88Å; E376-C380 PolarHBondContact O-SG 3.12Å
377K93.6Very high85.6Confident37 Ų3750.2 Ų50.216%0.16130%0.303CS..Hα-helixtrans-66.1-43.5171.3-75162.6176.9154.50112.1L305 D333 F336 N373 V374 I375 K379 C380 I381L305-K377 HydrophobicContact CD1-CB 4.25Å; L305-K377 HydrophobicContact CD1-CG 4.25Å; L305-K377 HydrophobicContact CD2-CD 3.86Å; L305-K377 HydrophobicContact CD2-CG 4.38Å; D333-K377 IonicContact OD2-NZ 2.55Å; D333-K377 PolarHBondContact OD2-NZ 3.33Å; F336-K377 HydrophobicContact CD2-CB 3.86Å; F336-K377 HydrophobicContact CD2-CD 3.96Å; F336-K377 HydrophobicContact CE2-CB 3.81Å; F336-K377 HydrophobicContact CG-CD 4.48Å; N373-K377 PolarHBondContact ND2-NZ 2.94Å; N373-K377 VanDerWaalsContact ND2-NZ 3.12Å; N373-K377 WeakPolarHBondContact O-CG 3.31Å; N373-K377 PolarHBondContact O-N 3.43Å; N373-K377 VanDerWaalsContact O-N 3.1Å; N373-K377 WeakPolarHBondContact OD1-CE 3.32Å; N373-K377 PolarHBondContact OD1-NZ 3.34Å; V374-K377 WeakPolarHBondContact O-CB 3.27Å; V374-K377 PolarHBondContact O-N 3.23Å; V374-K377 VanDerWaalsContact O-N 3.12Å; I375-K377 VanDerWaalsContact C-N 3.31Å; I375-K377 PolarHBondContact O-N 2.92Å; K377-K379 VanDerWaalsContact C-N 3.33Å; K377-K379 PolarHBondContact O-N 3.39Å; K377-C380 WeakPolarHBondContact O-CB 3.45Å; K377-C380 PolarHBondContact O-N 3.48Å; K377-C380 VanDerWaalsContact O-N 3.16Å; K377-I381 WeakPolarHBondContact O-CG1 3.44Å; K377-I381 PolarHBondContact O-N 3.34Å
378V92.4Very high83.3Confident0 Ų053.6 Ų53.60%032%0.319CS..Hα-helixtrans-61-43175.7-179.40000110.7F336 I343 F346 W354 L357 V374 I375 C380 I381 L382F336-V378 HydrophobicContact CE2-CG2 4.13Å; I343-V378 HydrophobicContact CD1-CG2 3.71Å; I343-V378 HydrophobicContact CG1-CG2 3.8Å; I343-V378 HydrophobicContact CG2-CG1 4.39Å; I343-V378 HydrophobicContact CG2-CG2 3.94Å; F346-V378 HydrophobicContact CE1-CG1 4.29Å; W354-V378 HydrophobicContact CH2-CB 4.47Å; W354-V378 HydrophobicContact CH2-CG1 3.73Å; W354-V378 HydrophobicContact CZ3-CB 4.32Å; W354-V378 HydrophobicContact CZ3-CG1 3.81Å; L357-V378 HydrophobicContact CD2-CG1 4.16Å; V374-V378 HydrophobicContact CG1-CG2 4.46Å; V374-V378 WeakPolarHBondContact O-CG2 3.47Å; V374-V378 PolarHBondContact O-N 3.3Å; I375-V378 PolarHBondContact O-N 2.95Å; V378-C380 VanDerWaalsContact C-N 3.33Å; V378-C380 PolarHBondContact O-N 3.48Å; V378-I381 PolarHBondContact O-N 2.9Å; V378-L382 HydrophobicContact CG1-CD1 4.16Å; V378-L382 PolarHBondContact O-N 3.33Å
379K89.3Confident81.2Confident63 Ų6352.5 Ų52.527%0.27431%0.306SS..Hα-helixtrans-59.8-41.6173.7-73165.1174.6161.50112.3W354 I375 E376 K377 L382 K383 L391W354-K379 HydrophobicContact CH2-CG 4.07Å; W354-K379 HydrophobicContact CZ3-CG 4.23Å; I375-K379 HydrophobicContact CG2-CD 4.18Å; I375-K379 WeakPolarHBondContact O-CG 3.46Å; I375-K379 PolarHBondContact O-N 3.37Å; E376-K379 PolarHBondContact O-N 3.02Å; E376-K379 VanDerWaalsContact OE1-CD 3.29Å; E376-K379 WeakPolarHBondContact OE1-CD 3.32Å; E376-K379 IonicContact OE1-NZ 3.31Å; E376-K379 PolarHBondContact OE1-NZ 3.46Å; K377-K379 VanDerWaalsContact C-N 3.33Å; K377-K379 PolarHBondContact O-N 3.39Å; K379-L382 PolarHBondContact O-N 2.86Å; K379-K383 PolarHBondContact O-N 2.82Å; K379-K383 VanDerWaalsContact O-N 3.15Å; K379-L391 HydrophobicContact CG-CD2 4.22Å
380C88.5Confident78.8Confident41 Ų4155.5 Ų55.528%0.27732%0.32SS..Hα-helixtrans-64.3-41.3174.5-71.40000112.1T301 E376 K377 V378 L382 K383T301-C380 HydrophobicContact CG2-CB 4.2Å; E376-C380 PolarHBondContact O-N 2.88Å; E376-C380 PolarHBondContact O-SG 3.12Å; K377-C380 WeakPolarHBondContact O-CB 3.45Å; K377-C380 PolarHBondContact O-N 3.48Å; K377-C380 VanDerWaalsContact O-N 3.16Å; V378-C380 VanDerWaalsContact C-N 3.33Å; V378-C380 PolarHBondContact O-N 3.48Å; C380-L382 VanDerWaalsContact C-N 3.34Å; C380-L382 PolarHBondContact O-N 3.06Å; C380-K383 WeakPolarHBondContact O-CB 3.43Å; C380-K383 PolarHBondContact O-N 3.48Å
381I90.4Very high76.6Confident2 Ų255.4 Ų55.41%0.0132%0.319CS..Hα-helixtrans-61.6-42.4177.3-71.5166.5000111S278 F281 T301 L305 F306 F336 K377 V378 K383S278-I381 VanDerWaalsContact CB-O 3.28Å; S278-I381 WeakPolarHBondContact CB-O 3.47Å; S278-I381 PolarHBondContact OG-O 3.45Å; F281-I381 HydrophobicContact CD2-CG2 4.32Å; F281-I381 HydrophobicContact CE2-CG2 3.74Å; F281-I381 HydrophobicContact CZ-CG2 4.34Å; T301-I381 HydrophobicContact CG2-CG1 4.24Å; L305-I381 HydrophobicContact CD1-CD1 4.17Å; L305-I381 HydrophobicContact CD1-CG1 4.49Å; F306-I381 HydrophobicContact CE2-CD1 4.45Å; F306-I381 HydrophobicContact CZ-CD1 4.39Å; F336-I381 HydrophobicContact CE1-CD1 4.33Å; F336-I381 HydrophobicContact CE2-CD1 4Å; F336-I381 HydrophobicContact CZ-CD1 3.44Å; F336-I381 VanDerWaalsContact CZ-CD1 3.44Å; K377-I381 WeakPolarHBondContact O-CG1 3.44Å; K377-I381 PolarHBondContact O-N 3.34Å; V378-I381 PolarHBondContact O-N 2.9Å; I381-K383 VanDerWaalsContact C-N 3.26Å; I381-K383 PolarHBondContact O-N 3.27Å
382L88.2Confident73.9Confident5 Ų566 Ų663%0.02636%0.358CS..THydrogen-bonded Turntrans-85.45.3-179.5-62.9179.7000113.9V277 F346 I347 A351 W354 V378 K379 C380 T384V277-L382 HydrophobicContact CB-CD2 4.01Å; V277-L382 HydrophobicContact CG2-CD2 3.96Å; F346-L382 HydrophobicContact CE1-CD1 3.66Å; F346-L382 HydrophobicContact CZ-CD1 4.42Å; I347-L382 HydrophobicContact CG1-CD2 4.35Å; A351-L382 HydrophobicContact CB-CD1 4Å; W354-L382 HydrophobicContact CH2-CD1 3.85Å; W354-L382 HydrophobicContact CZ2-CD1 3.71Å; V378-L382 HydrophobicContact CG1-CD1 4.16Å; V378-L382 PolarHBondContact O-N 3.33Å; K379-L382 PolarHBondContact O-N 2.86Å; C380-L382 VanDerWaalsContact C-N 3.34Å; C380-L382 PolarHBondContact O-N 3.06Å; L382-T384 PolarHBondContact O-N 3.22Å
383K81.4Confident71.2Confident53 Ų5369 Ų6923%0.2337%0.368CS..  trans-64.7132.2179.6-165.6-174.7-172.2-166.20110.6D295 S297 I298 K379 C380 I381D295-K383 IonicContact OD1-NZ 3.49Å; D295-K383 PolarHBondContact OD1-NZ 3.27Å; D295-K383 WeakPolarHBondContact OD2-CE 3.23Å; D295-K383 IonicContact OD2-NZ 3.57Å; D295-K383 PolarHBondContact OD2-NZ 3.22Å; S297-K383 PolarHBondContact OG-NZ 3.32Å; I298-K383 HydrophobicContact CG1-CD 4.37Å; K379-K383 PolarHBondContact O-N 2.82Å; K379-K383 VanDerWaalsContact O-N 3.15Å; C380-K383 WeakPolarHBondContact O-CB 3.43Å; C380-K383 PolarHBondContact O-N 3.48Å; I381-K383 VanDerWaalsContact C-N 3.26Å; I381-K383 PolarHBondContact O-N 3.27Å
384T72.3Confident68.8Low52 Ų5268.7 Ų68.732%0.31937%0.37SS..  trans-105.8122.2172.1-56.60000109.8L382 G386 K387L382-T384 PolarHBondContact O-N 3.22Å; T384-G386 PolarHBondContact O-N 2.99Å; T384-K387 HydrophobicContact CG2-CD 4.11Å; T384-K387 HydrophobicContact CG2-CG 4.42Å; T384-K387 PolarHBondContact O-N 3.47Å
385P62.8Low65.9Low44 Ų4478.6 Ų78.629%0.28641%0.413SS..THydrogen-bonded Turntrans-53.6137.7177.6-25.132.8000112.4H279 I298 K387H279-P385 WeakPolarHBondContact ND1-CD 3.37Å; I298-P385 HydrophobicContact CD1-CG 3.73Å; P385-K387 PolarHBondContact O-N 3.42Å
386G55.2Low63.2Low90 Ų9083.6 Ų83.693%0.92845%0.445SS*.THydrogen-bonded Turntrans75.2-1.717500000116.3T384T384-G386 PolarHBondContact O-N 2.99Å
387K57Low60.9Low131 Ų13186.3 Ų86.357%0.5745%0.452SS*.SBendtrans-105.2129.1171.8-69.6-174.5179.7177.60110.3T384 P385 N389T384-K387 HydrophobicContact CG2-CD 4.11Å; T384-K387 HydrophobicContact CG2-CG 4.42Å; T384-K387 PolarHBondContact O-N 3.47Å; P385-K387 PolarHBondContact O-N 3.42Å; K387-N389 PolarHBondContact O-N 3.25Å
388I43.9Very low58.1Low159 Ų15994.2 Ų94.282%0.81549%0.49SS*.  trans-66.6128.2172.6-61.8169.8000107.6C390I388-C390 PolarHBondContact O-N 2.86Å
389N45.1Very low55.3Low78 Ų7898 Ų9842%0.41752%0.52SS..  trans-59.195.1178.2-88-8.2000110.7K387 L391K387-N389 PolarHBondContact O-N 3.25Å; N389-L391 PolarHBondContact O-N 2.85Å; N389-L391 VanDerWaalsContact O-N 3.17Å
390C42.2Very low52.7Low102 Ų102106.6 Ų106.669%0.68955%0.551SS**G310 helixtrans-71.76.3166.3-62.60000112.8I388 R392I388-C390 PolarHBondContact O-N 2.86Å; C390-R392 PolarHBondContact O-N 3.45Å; C390-R392 VanDerWaalsContact O-N 3.11Å
391L48.9Very low50.2Low52 Ų52114.1 Ų114.127%0.27258%0.579SS.*G310 helixtrans-64-10.6179.5-88.289.2000114.4W354 K379 N389W354-L391 HydrophobicContact CH2-CD2 3.91Å; W354-L391 HydrophobicContact CZ2-CD2 3.34Å; K379-L391 HydrophobicContact CG-CD2 4.22Å; N389-L391 PolarHBondContact O-N 2.85Å; N389-L391 VanDerWaalsContact O-N 3.17Å
392R36.3Very low47.6Very low234 Ų234118.6 Ų118.688%0.88361%0.609SS**G310 helixtrans-88-14.3-167.8-136.8177.8-170.9-169.52.2115.7C390C390-R392 PolarHBondContact O-N 3.45Å; C390-R392 VanDerWaalsContact O-N 3.11Å
393N35.7Very low45.1Very low133 Ų133123.8 Ų123.871%0.71164%0.636SS**  trans-119.262.1-174.4-70.3-5.5000112.3K395N393-K395 PolarHBondContact O-N 3.39Å
394C42.5Very low43.2Very low60 Ų60132.1 Ų132.141%0.40567%0.666SS.*  trans-96.980.7174.4-63.80000110.6Y397C394-Y397 HydrophobicContact CB-CD2 4.45Å
395K36.2Very low41.6Very low208 Ų208137.7 Ų137.790%0.90469%0.686SS**SBendtrans-133.1-3160.6-74.2-166.3176.9-175.70113.5N393N393-K395 PolarHBondContact O-N 3.39Å
396T33.9Very low40.7Very low119 Ų119139 Ų13973%0.7369%0.686SS**  trans-12922.3-170.834.20000114Q398T396-Q398 VanDerWaalsContact C-N 3.26Å; T396-Q398 PolarHBondContact O-N 2.95Å
397Y42.1Very low40.2Very low150 Ų150136.1 Ų136.159%0.58865%0.649SS**THydrogen-bonded Turntrans-79.62.8-179.4-90-83.2000115.4C394 A399C394-Y397 HydrophobicContact CB-CD2 4.45Å; Y397-A399 VanDerWaalsContact C-N 3.34Å; Y397-A399 PolarHBondContact O-N 2.98Å
398Q35Very low40.1Very low203 Ų203133.8 Ų133.895%0.94965%0.646SS**THydrogen-bonded Turntrans-83.7-0.1178.1-80-177-1700114.9T396T396-Q398 VanDerWaalsContact C-N 3.26Å; T396-Q398 PolarHBondContact O-N 2.95Å
399A34.1Very low41.6Very low78 Ų78127.9 Ų127.965%0.64562%0.619SS**SBendtrans-139102.1177.500000112.1Y397Y397-A399 VanDerWaalsContact C-N 3.34Å; Y397-A399 PolarHBondContact O-N 2.98Å
400R34.2Very low43.8Very low244 Ų244124.5 Ų124.592%0.92160%0.601SS**SBendtrans99.496.5167.9-55.9178175.7177.9-1116.1
401K35.9Very low46Very low199 Ų199124.2 Ų124.287%0.86559%0.588SS**  trans54.788.4156.8-67.4-172.7175.8-175.80118.2
402P35.6Very low48Very low97 Ų97127.2 Ų127.263%0.6360%0.599SS**  trans-96.880165.135.3-25.1000110.2
403L37.1Very low50.7Low114 Ų114116.1 Ų116.160%0.59756%0.557SS**  trans-139.3-3.5178.5-91.4172.3000117.9
404W40.2Very low53.5Low228 Ų228111 Ų11186%0.86453%0.53SS*.SBendtrans-114.2-5.2-169-8112.4000117.4T408W404-T408 PolarHBondContact O-OG1 2.97Å
405F40.5Very low56.1Low168 Ų168110.9 Ų110.974%0.73753%0.525SS*.SBendtrans-92.2-19.9-176.3-88.1-83.9000115.5
406Y43.4Very low58.9Low72 Ų72106.3 Ų106.328%0.28251%0.505SS..SBendtrans-121.9-23.9-179-74.9-81000115.2A351 T408 S409A351-Y406 HydrophobicContact CB-CE1 4.43Å; Y406-T408 PolarHBondContact O-N 3.31Å; Y406-S409 PolarHBondContact O-N 2.85Å
407N44.4Very low61.7Low29 Ų29105.7 Ų105.716%0.15550%0.503CS..THydrogen-bonded Turntrans-68.3-5.7175.8-77.9-2.5000114.2
408T54.3Low64.1Low83 Ų83101 Ų10151%0.50949%0.487SS..THydrogen-bonded Turntrans-96.3-7.6-177.9-37.90000113W404 Y406 K411W404-T408 PolarHBondContact O-OG1 2.97Å; Y406-T408 PolarHBondContact O-N 3.31Å; T408-K411 WeakPolarHBondContact O-CB 3.5Å
409S76.1Confident66.8Low34 Ų3493.6 Ų93.624%0.23845%0.453CS..SBendtrans-73.2-43.5-174.4-88.30000113.6A276 Y406 K411 F412A276-S409 WeakPolarHBondContact O-CB 3.2Å; A276-S409 PolarHBondContact O-OG 2.89Å; Y406-S409 PolarHBondContact O-N 2.85Å; S409-K411 VanDerWaalsContact C-N 3.28Å; S409-K411 PolarHBondContact O-N 3.15Å; S409-F412 VanDerWaalsContact O-CB 3.28Å; S409-F412 WeakPolarHBondContact O-CB 3.26Å; S409-F412 PolarHBondContact O-N 2.69Å
410L90.3Very high69.7Low7 Ų791.4 Ų91.44%0.03744%0.435CS..G310 helixtrans-69.5-28.1179.2-82.8168.2000112.2Y240 L244 I272 A276 F412 F413 I437 Y479Y240-L410 WeakPolarHBondContact OH-CD1 3.44Å; L244-L410 HydrophobicContact CD1-CD1 4.1Å; I272-L410 HydrophobicContact CD1-CD2 3.88Å; I272-L410 HydrophobicContact CG1-CD2 3.56Å; A276-L410 HydrophobicContact CB-CD2 3.67Å; A276-L410 HydrophobicContact CB-CG 3.77Å; L410-F412 PolarHBondContact O-N 3.36Å; L410-F413 PolarHBondContact O-N 3.13Å; L410-I437 HydrophobicContact CD1-CD1 3.89Å; L410-I437 HydrophobicContact CD2-CD1 3.88Å; L410-I437 HydrophobicContact CD2-CG1 4.38Å; L410-Y479 HydrophobicContact CB-CD1 4.17Å; L410-Y479 WeakPolarHBondContact CB-O 3.33Å; L410-Y479 WeakPolarHBondContact O-CD1 3.4Å
411K90.3Very high72.5Confident96 Ų9682.7 Ų82.742%0.41741%0.407SS..G310 helixtrans-53.6-28.1172.2-171.5167.2177.6156.50113.1T408 S409 F413 L414 E476 T480T408-K411 WeakPolarHBondContact O-CB 3.5Å; S409-K411 VanDerWaalsContact C-N 3.28Å; S409-K411 PolarHBondContact O-N 3.15Å; K411-F413 PolarHBondContact O-N 3.11Å; K411-L414 WeakPolarHBondContact O-CB 3.35Å; K411-L414 PolarHBondContact O-N 3.21Å; K411-E476 IonicContact NZ-OE1 3.5Å; K411-E476 PolarHBondContact NZ-OE1 2.97Å; K411-T480 HydrophobicContact CB-CG2 3.75Å; K411-T480 HydrophobicContact CD-CG2 4.21Å; K411-T480 HydrophobicContact CG-CG2 4.22Å
412F89.6Confident75.3Confident115 Ų11573.2 Ų73.250%0.50437%0.366SS..G310 helixtrans-60.3-28.5176.5-175.3-105.6000113.3M282 S409 L410 K416 M418M282-F412 HydrophobicContact CE-CD1 4.39Å; M282-F412 HydrophobicContact CE-CE1 3.86Å; S409-F412 VanDerWaalsContact O-CB 3.28Å; S409-F412 WeakPolarHBondContact O-CB 3.26Å; S409-F412 PolarHBondContact O-N 2.69Å; L410-F412 PolarHBondContact O-N 3.36Å; F412-K416 WeakPolarHBondContact O-CG 3.17Å; F412-M418 HydrophobicContact CD1-CE 3.53Å; F412-M418 HydrophobicContact CE1-CE 3.25Å; F412-M418 HydrophobicContact CE1-SD 4.2Å; F412-M418 HydrophobicContact CZ-CE 4.31Å
413F93.9Very high78.2Confident1 Ų170.4 Ų70.40%0.00435%0.347CS..G310 helixtrans-94.7-9.6-179.2-62.3-94.2000113I272 C275 A276 M282 L410 K411 N415 K416 M418 L419 H434 Y479I272-F413 HydrophobicContact CD1-CB 3.88Å; I272-F413 HydrophobicContact CD1-CG 4.13Å; I272-F413 HydrophobicContact CG1-CB 4.46Å; I272-F413 HydrophobicContact CG1-CD1 4.42Å; I272-F413 HydrophobicContact CG1-CD2 4.41Å; I272-F413 HydrophobicContact CG1-CG 4.17Å; C275-F413 HydrophobicContact CB-CE1 4.25Å; C275-F413 HydrophobicContact CB-CE2 4.49Å; C275-F413 HydrophobicContact CB-CZ 3.7Å; A276-F413 HydrophobicContact CB-CE2 4.11Å; M282-F413 HydrophobicContact CE-CZ 3.99Å; M282-F413 HydrophobicContact SD-CE1 4.39Å; M282-F413 HydrophobicContact SD-CZ 3.76Å; L410-F413 PolarHBondContact O-N 3.13Å; K411-F413 PolarHBondContact O-N 3.11Å; F413-N415 PolarHBondContact O-N 3.35Å; F413-K416 PolarHBondContact O-N 3.2Å; F413-M418 HydrophobicContact CD1-CE 3.3Å; F413-M418 HydrophobicContact CD1-CG 4.46Å; F413-M418 HydrophobicContact CE1-CE 3.11Å; F413-M418 HydrophobicContact CE1-CG 4.24Å; F413-M418 HydrophobicContact CE1-SD 4.19Å; F413-M418 HydrophobicContact CG-CE 4.11Å; F413-M418 HydrophobicContact CZ-CE 3.77Å; F413-L419 HydrophobicContact CD1-CD1 4.3Å; F413-L419 HydrophobicContact CE1-CD1 3.76Å; F413-L419 HydrophobicContact CE1-CG 4.37Å; F413-H434 PolarHBondContact O-CE1 2.88Å; F413-Y479 HydrophobicContact CB-CE1 4.43Å
414L94.6Very high81Confident27 Ų2765 Ų6514%0.14132%0.319CS..THydrogen-bonded Turntrans-61125-178.1177.165.4000110.7K411 K416 L475 E476 Y479K411-L414 WeakPolarHBondContact O-CB 3.35Å; K411-L414 PolarHBondContact O-N 3.21Å; L414-K416 PolarHBondContact O-N 3.39Å; L414-L475 HydrophobicContact CD1-CB 3.61Å; L414-E476 HydrophobicContact CD2-CB 3.77Å; L414-E476 HydrophobicContact CD2-CG 4.05Å; L414-Y479 HydrophobicContact CB-CD1 4.43Å; L414-Y479 HydrophobicContact CD1-CD2 4.03Å; L414-Y479 HydrophobicContact CD1-CE2 4.31Å; L414-Y479 HydrophobicContact CD1-CG 4.22Å
415N95.9Very high83.7Confident56 Ų5658.1 Ų58.130%0.29930%0.296SS..THydrogen-bonded Turntrans53.837-179.9-169.932.5000112.5F413 P432 L472F413-N415 PolarHBondContact O-N 3.35Å; N415-P432 WeakPolarHBondContact CA-O 3.34Å; N415-P432 WeakPolarHBondContact OD1-CD 3.32Å; N415-L472 HydrophobicContact CB-CD2 3.84Å
416K94.6Very high86.4Confident113 Ų11350.1 Ų50.149%0.49126%0.261SS..  trans-118.3143.4172.8-61-59.5-178.4-178.90109.9F412 F413 L414 M418F412-K416 WeakPolarHBondContact O-CG 3.17Å; F413-K416 PolarHBondContact O-N 3.2Å; L414-K416 PolarHBondContact O-N 3.39Å; K416-M418 PolarHBondContact O-N 2.91Å
417P93.8Very high88.7Confident106 Ų10653.8 Ų53.869%0.68828%0.281SS*.SBendtrans-72.4-15.4178.230.4-36000113.1L419 A420P417-L419 PolarHBondContact O-N 3.17Å; P417-A420 WeakPolarHBondContact O-CB 3.37Å; P417-A420 PolarHBondContact O-N 3.33Å; P417-A420 VanDerWaalsContact O-N 3.14Å
418M91.4Very high90.9Very high51 Ų5155.5 Ų55.525%0.25131%0.306SS..THydrogen-bonded Turntrans-65118.6-178.6177.9178.771.700110.5M282 V287 F412 F413 K416 A420 H434M282-M418 HydrophobicContact CE-CE 4.4Å; M282-M418 HydrophobicContact CE-SD 4.41Å; V287-M418 HydrophobicContact CG1-CE 4.25Å; V287-M418 HydrophobicContact CG1-CG 3.54Å; V287-M418 HydrophobicContact CG1-SD 3.17Å; V287-M418 WeakPolarHBondContact CG1-SD 3.34Å; F412-M418 HydrophobicContact CD1-CE 3.53Å; F412-M418 HydrophobicContact CE1-CE 3.25Å; F412-M418 HydrophobicContact CE1-SD 4.2Å; F412-M418 HydrophobicContact CZ-CE 4.31Å; F413-M418 HydrophobicContact CD1-CE 3.3Å; F413-M418 HydrophobicContact CD1-CG 4.46Å; F413-M418 HydrophobicContact CE1-CE 3.11Å; F413-M418 HydrophobicContact CE1-CG 4.24Å; F413-M418 HydrophobicContact CE1-SD 4.19Å; F413-M418 HydrophobicContact CG-CE 4.11Å; F413-M418 HydrophobicContact CZ-CE 3.77Å; K416-M418 PolarHBondContact O-N 2.91Å; M418-A420 PolarHBondContact O-N 3.48Å; M418-H434 PolarHBondContact O-NE2 3.44Å
419L92.9Very high92.8Very high47 Ų4753.9 Ų53.925%0.24630%0.296CS..THydrogen-bonded Turntrans63.85.1-172.8-56.6179000115.5K271 I272 C275 V287 F413 P417 D421 H434K271-L419 HydrophobicContact CB-CD1 4.15Å; K271-L419 HydrophobicContact CB-CD2 4.34Å; K271-L419 HydrophobicContact CD-CD2 4.37Å; I272-L419 HydrophobicContact CB-CD1 4.36Å; C275-L419 HydrophobicContact CB-CD1 4.03Å; V287-L419 HydrophobicContact CG2-CD1 4.06Å; V287-L419 HydrophobicContact CG2-CD2 3.78Å; V287-L419 HydrophobicContact CG2-CG 3.99Å; F413-L419 HydrophobicContact CD1-CD1 4.3Å; F413-L419 HydrophobicContact CE1-CD1 3.76Å; F413-L419 HydrophobicContact CE1-CG 4.37Å; P417-L419 PolarHBondContact O-N 3.17Å; L419-D421 PolarHBondContact O-N 3.41Å; L419-H434 VanDerWaalsContact C-NE2 3.27Å; L419-H434 PolarHBondContact O-CD2 3.36Å; L419-H434 PolarHBondContact O-NE2 3.03Å
420A94.4Very high93.8Very high32 Ų3256.4 Ų56.426%0.26431%0.309SS..  trans-67.6131.4179.900000110.9P417 M418 P432 A433 H434P417-A420 WeakPolarHBondContact O-CB 3.37Å; P417-A420 PolarHBondContact O-N 3.33Å; P417-A420 VanDerWaalsContact O-N 3.14Å; M418-A420 PolarHBondContact O-N 3.48Å; A420-P432 HydrophobicContact CB-CB 3.75Å; A420-A433 WeakPolarHBondContact CA-O 3.47Å; A420-A433 WeakPolarHBondContact CB-O 3.47Å; A420-H434 PolarHBondContact N-NE2 3.04Å
421D92.8Very high94.1Very high61 Ų6156 Ų5633%0.32631%0.308SS..  trans-1181.1179.862.2-7.5000112.3L419 A433 H434 R435L419-D421 PolarHBondContact O-N 3.41Å; D421-A433 PolarHBondContact N-O 2.72Å; D421-H434 WeakPolarHBondContact OD1-CA 3.43Å; D421-R435 WeakPolarHBondContact OD1-CG 3.32Å; D421-R435 PolarHBondContact OD1-N 3Å; D421-R435 WeakPolarHBondContact OD2-CB 3.46Å
422V94.7Very high94.5Very high0 Ų052.2 Ų52.20%029%0.293CS..EExtended strand (participates in β ladder)trans-146.7148.717265.60000110.7F424 A433 R435 L438 F449 V459 I461V422-F424 HydrophobicContact CG1-CE2 4.28Å; V422-F424 HydrophobicContact CG2-CZ 4.48Å; V422-A433 HydrophobicContact CG1-CB 4.02Å; V422-A433 PolarHBondContact N-O 2.95Å; V422-A433 PolarHBondContact O-N 3.44Å; V422-R435 HydrophobicContact CB-CG 3.89Å; V422-R435 HydrophobicContact CG1-CG 3.82Å; V422-L438 HydrophobicContact CG1-CD1 3.95Å; V422-F449 HydrophobicContact CG2-CE1 4.02Å; V422-F449 HydrophobicContact CG2-CZ 3.94Å; V422-V459 CarbonylContact C-O 3.57Å; V422-I461 HydrophobicContact CG2-CG1 3.63Å
423V96.8Very high94.8Very high38 Ų3846.8 Ų46.823%0.2327%0.269CS..EExtended strand (participates in β ladder)trans-131.5125.6178.4-176.70000108.8T430 P432 V459 L460 I461V423-T430 HydrophobicContact CG1-CG2 4.02Å; V423-P432 HydrophobicContact CG2-CB 4.46Å; V423-V459 HydrophobicContact CG2-CG1 4.41Å; V423-V459 PolarHBondContact N-O 3.13Å; V423-L460 HydrophobicContact CB-CD1 4.23Å; V423-L460 HydrophobicContact CG1-CD1 4.06Å; V423-L460 CarbonylContact O-C 3.46Å; V423-L460 WeakPolarHBondContact O-CA 3.38Å; V423-I461 PolarHBondContact O-N 3.17Å
424F97.2Very high94.9Very high1 Ų146.9 Ų46.90%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-92.3134.6174.9-65.3-78.2000111.2V422 I426 T430 V431 A433 L438 M445 F449 I461 V463 F471V422-F424 HydrophobicContact CG1-CE2 4.28Å; V422-F424 HydrophobicContact CG2-CZ 4.48Å; F424-I426 HydrophobicContact CB-CD1 4.09Å; F424-T430 CarbonylContact O-C 3.56Å; F424-T430 VanDerWaalsContact O-CA 3.3Å; F424-T430 WeakPolarHBondContact O-CA 3.32Å; F424-V431 HydrophobicContact CB-CB 4.41Å; F424-V431 PolarHBondContact N-O 3.45Å; F424-V431 PolarHBondContact O-N 3.4Å; F424-A433 HydrophobicContact CD2-CB 4.06Å; F424-A433 HydrophobicContact CE2-CB 3.78Å; F424-L438 HydrophobicContact CE2-CD1 3.65Å; F424-L438 HydrophobicContact CZ-CD1 3.7Å; F424-M445 HydrophobicContact CZ-CE 4.08Å; F424-F449 HydrophobicContact CE1-CZ 4.33Å; F424-F449 HydrophobicContact CZ-CE2 4.47Å; F424-F449 AromaticContact CZ-CZ 3.96Å; F424-F449 HydrophobicContact CZ-CZ 3.96Å; F424-I461 CarbonylContact C-O 3.54Å; F424-I461 VanDerWaalsContact CA-O 3.23Å; F424-I461 WeakPolarHBondContact CA-O 3.41Å; F424-I461 HydrophobicContact CD1-CB 3.7Å; F424-I461 HydrophobicContact CD1-CG2 3.9Å; F424-I461 HydrophobicContact CE1-CB 3.86Å; F424-I461 HydrophobicContact CE1-CG1 4.39Å; F424-I461 HydrophobicContact CE1-CG2 3.82Å; F424-V463 HydrophobicContact CB-CG2 4.07Å; F424-V463 HydrophobicContact CD1-CG2 3.53Å; F424-V463 HydrophobicContact CE1-CG2 4.35Å; F424-V463 HydrophobicContact CG-CG2 4.13Å; F424-F471 HydrophobicContact CB-CE1 3.93Å; F424-F471 HydrophobicContact CB-CZ 4.31Å; F424-F471 HydrophobicContact CD1-CE1 4.38Å; F424-F471 AromaticContact CD1-CZ 3.94Å; F424-F471 HydrophobicContact CD1-CZ 3.94Å; F424-F471 AromaticContact CD2-CE1 3.56Å; F424-F471 HydrophobicContact CD2-CE1 3.56Å; F424-F471 AromaticContact CD2-CZ 3.71Å; F424-F471 HydrophobicContact CD2-CZ 3.71Å; F424-F471 HydrophobicContact CE1-CZ 4.14Å; F424-F471 HydrophobicContact CE2-CE1 4.11Å; F424-F471 AromaticContact CE2-CZ 3.9Å; F424-F471 HydrophobicContact CE2-CZ 3.9Å; F424-F471 AromaticContact CG-CE1 3.69Å; F424-F471 HydrophobicContact CG-CE1 3.69Å; F424-F471 AromaticContact CG-CZ 3.71Å; F424-F471 HydrophobicContact CG-CZ 3.71Å; F424-F471 HydrophobicContact CZ-CZ 4.11Å
425E96.8Very high94.9Very high84 Ų8447.4 Ų47.439%0.39327%0.27SS..EExtended strand (participates in β ladder)trans-99.2115.3171.8-170.4-177.9172.400109.9T429 L460 I461 V463E425-T429 WeakPolarHBondContact CA-O 3.38Å; E425-L460 HydrophobicContact CB-CD1 4.07Å; E425-I461 PolarHBondContact N-O 3.11Å; E425-V463 PolarHBondContact O-N 3.42Å
426I96Very high94.9Very high0 Ų045 Ų450%026%0.257CS..EExtended strand (participates in β ladder)trans-130.8117.9-178-59142.7000108.4F424 G428 T429 V431 V463 V466 K468 F471F424-I426 HydrophobicContact CB-CD1 4.09Å; I426-G428 PolarHBondContact O-N 3.38Å; I426-T429 PolarHBondContact N-O 3.21Å; I426-T429 PolarHBondContact O-N 3.48Å; I426-T429 PolarHBondContact O-OG1 3.38Å; I426-V431 HydrophobicContact CD1-CB 4.21Å; I426-V431 HydrophobicContact CD1-CG2 3.83Å; I426-V463 HydrophobicContact CG1-CB 3.66Å; I426-V463 HydrophobicContact CG1-CG1 4.19Å; I426-V463 HydrophobicContact CG1-CG2 4.14Å; I426-V466 WeakPolarHBondContact CG2-O 3.04Å; I426-K468 HydrophobicContact CG2-CB 4.09Å; I426-F471 HydrophobicContact CD1-CB 3.92Å; I426-F471 HydrophobicContact CD1-CD1 3.3Å; I426-F471 HydrophobicContact CD1-CE1 3.87Å; I426-F471 HydrophobicContact CD1-CG 3.68Å
427Q92.6Very high94.9Very high148 Ų14839.6 Ų39.669%0.69223%0.234SC*.THydrogen-bonded Turntrans52.139.8176.3-58.6175.2-5200113T429Q427-T429 VanDerWaalsContact C-N 3.28Å; Q427-T429 PolarHBondContact O-N 2.81Å
428G90.1Very high95.1Very high66 Ų6634.6 Ų34.668%0.6820%0.201SC*.THydrogen-bonded Turntrans74.910.9-178.100000114.9I426I426-G428 PolarHBondContact O-N 3.38Å
429T94.3Very high95.3Very high49 Ų4932.7 Ų32.730%0.30119%0.192SC..EExtended strand (participates in β ladder)trans-118.9151.117570.60000111.4E425 I426 Q427 K468E425-T429 WeakPolarHBondContact CA-O 3.38Å; I426-T429 PolarHBondContact N-O 3.21Å; I426-T429 PolarHBondContact O-N 3.48Å; I426-T429 PolarHBondContact O-OG1 3.38Å; Q427-T429 VanDerWaalsContact C-N 3.28Å; Q427-T429 PolarHBondContact O-N 2.81Å; T429-K468 WeakPolarHBondContact OG1-CD 3.07Å
430T96Very high95.4Very high86 Ų8631.4 Ų31.453%0.52819%0.188SC..EExtended strand (participates in β ladder)trans-101.4139.7-178.555.90000112.2V423 F424V423-T430 HydrophobicContact CG1-CG2 4.02Å; F424-T430 CarbonylContact O-C 3.56Å; F424-T430 VanDerWaalsContact O-CA 3.3Å; F424-T430 WeakPolarHBondContact O-CA 3.32Å
431V97.8Very high95.4Very high0 Ų030.8 Ų30.80%018%0.179CC..EExtended strand (participates in β ladder)trans-127.5100.3175.5177.90000109.1F424 I426 K468 F471 L472 L475F424-V431 HydrophobicContact CB-CB 4.41Å; F424-V431 PolarHBondContact N-O 3.45Å; F424-V431 PolarHBondContact O-N 3.4Å; I426-V431 HydrophobicContact CD1-CB 4.21Å; I426-V431 HydrophobicContact CD1-CG2 3.83Å; V431-K468 HydrophobicContact CG2-CG 4.27Å; V431-F471 HydrophobicContact CG1-CD1 4.48Å; V431-L472 HydrophobicContact CG1-CD2 3.73Å; V431-L472 HydrophobicContact CG2-CD2 4.32Å; V431-L475 HydrophobicContact CG1-CD1 3.6Å
432P97.5Very high95.6Very high16 Ų1628 Ų2810%0.10417%0.165CC..EExtended strand (participates in β ladder)trans-67.4142.2174.326.6-35.5000112.2N415 A420 V423N415-P432 WeakPolarHBondContact CA-O 3.34Å; N415-P432 WeakPolarHBondContact OD1-CD 3.32Å; A420-P432 HydrophobicContact CB-CB 3.75Å; V423-P432 HydrophobicContact CG2-CB 4.46Å
433A97.6Very high95.5Very high1 Ų135.6 Ų35.61%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-148.2-177.3179.400000111.1A420 D421 V422 F424 L438 L475A420-A433 WeakPolarHBondContact CA-O 3.47Å; A420-A433 WeakPolarHBondContact CB-O 3.47Å; D421-A433 PolarHBondContact N-O 2.72Å; V422-A433 HydrophobicContact CG1-CB 4.02Å; V422-A433 PolarHBondContact N-O 2.95Å; V422-A433 PolarHBondContact O-N 3.44Å; F424-A433 HydrophobicContact CD2-CB 4.06Å; F424-A433 HydrophobicContact CE2-CB 3.78Å; A433-L438 HydrophobicContact CB-CD1 4.08Å; A433-L475 HydrophobicContact CB-CD1 4.34Å
434H95.6Very high95.5Very high3 Ų336 Ų361%0.01420%0.203CC..  trans-131.1112.4-171.5-56.172000110.9I272 F413 M418 L419 A420 D421 A436 I437 L438 Y479I272-H434 HydrophobicContact CD1-CB 3.64Å; I272-H434 WeakPolarHBondContact CD1-CD2 3.48Å; F413-H434 PolarHBondContact O-CE1 2.88Å; M418-H434 PolarHBondContact O-NE2 3.44Å; L419-H434 VanDerWaalsContact C-NE2 3.27Å; L419-H434 PolarHBondContact O-CD2 3.36Å; L419-H434 PolarHBondContact O-NE2 3.03Å; A420-H434 PolarHBondContact N-NE2 3.04Å; D421-H434 WeakPolarHBondContact OD1-CA 3.43Å; H434-A436 VanDerWaalsContact C-N 3.25Å; H434-A436 PolarHBondContact O-N 3.06Å; H434-I437 HydrophobicContact CB-CG1 4.35Å; H434-I437 PolarHBondContact O-N 3.29Å; H434-L438 WeakPolarHBondContact O-CG 3.48Å; H434-L438 PolarHBondContact O-N 2.85Å; H434-Y479 VanDerWaalsContact CB-OH 3.26Å; H434-Y479 WeakPolarHBondContact CB-OH 3.2Å; H434-Y479 PolarHBondContact N-OH 3.04Å; H434-Y479 AromaticContact ND1-CZ 3.83Å; H434-Y479 PolarHBondContact ND1-OH 3.31Å
435R95Very high95.3Very high38 Ų3836 Ų3614%0.14320%0.202CC..Hα-helixtrans-53.1-43.1-173.7-65171.6118.4-138.611.7111.8C253 D421 V422 I437 L438 V439 F449 E455 A456C253-R435 HydrophobicContact CB-CB 4.48Å; D421-R435 WeakPolarHBondContact OD1-CG 3.32Å; D421-R435 PolarHBondContact OD1-N 3Å; D421-R435 WeakPolarHBondContact OD2-CB 3.46Å; V422-R435 HydrophobicContact CB-CG 3.89Å; V422-R435 HydrophobicContact CG1-CG 3.82Å; R435-I437 VanDerWaalsContact C-N 3.26Å; R435-I437 PolarHBondContact O-N 3.43Å; R435-L438 PolarHBondContact O-N 3.2Å; R435-V439 WeakPolarHBondContact O-CG1 3.26Å; R435-V439 WeakPolarHBondContact O-CG2 3.41Å; R435-V439 PolarHBondContact O-N 2.97Å; R435-F449 HydrophobicContact CG-CD2 4.31Å; R435-F449 HydrophobicContact CG-CE2 4.44Å; R435-F449 HydrophobicContact CG-CG 4.37Å; R435-F449 VanDerWaalsContact NH2-CD1 3.31Å; R435-E455 PolarHBondContact NH2-O 3.32Å; R435-A456 PolarHBondContact NH2-O 3.47Å
436A94.6Very high95.2Very high4 Ų432.9 Ų32.93%0.03319%0.191CC..Hα-helixtrans-50.3-43177.200000113.3L247 C253 H270 I272 H434 A440L247-A436 HydrophobicContact CD2-CB 4.18Å; L247-A436 WeakPolarHBondContact CD2-O 3.47Å; C253-A436 HydrophobicContact CB-CB 4.15Å; H270-A436 HydrophobicContact CB-CB 4.42Å; I272-A436 HydrophobicContact CG2-CB 4.2Å; H434-A436 VanDerWaalsContact C-N 3.25Å; H434-A436 PolarHBondContact O-N 3.06Å; A436-A440 VanDerWaalsContact O-CB 3.3Å; A436-A440 WeakPolarHBondContact O-CB 3.28Å; A436-A440 PolarHBondContact O-N 2.8Å
437I96.1Very high95Very high1 Ų135.5 Ų35.51%0.00521%0.213CC..Hα-helixtrans-75.5-39.4178.4-55.5-55.6000111.1L244 I272 V273 L410 H434 R435 R441 Y479L244-I437 HydrophobicContact CD2-CD1 4.15Å; I272-I437 HydrophobicContact CD1-CD1 4.47Å; I272-I437 HydrophobicContact CD1-CG1 3.85Å; I272-I437 HydrophobicContact CG2-CD1 4.33Å; I272-I437 HydrophobicContact CG2-CG1 4.4Å; V273-I437 HydrophobicContact CG2-CD1 4.22Å; L410-I437 HydrophobicContact CD1-CD1 3.89Å; L410-I437 HydrophobicContact CD2-CD1 3.88Å; L410-I437 HydrophobicContact CD2-CG1 4.38Å; H434-I437 HydrophobicContact CB-CG1 4.35Å; H434-I437 PolarHBondContact O-N 3.29Å; R435-I437 VanDerWaalsContact C-N 3.26Å; R435-I437 PolarHBondContact O-N 3.43Å; I437-R441 HydrophobicContact CG2-CG 4.47Å; I437-R441 VanDerWaalsContact O-CB 3.3Å; I437-R441 WeakPolarHBondContact O-CB 3.42Å; I437-R441 VanDerWaalsContact O-CG 3.27Å; I437-R441 WeakPolarHBondContact O-CG 3.46Å; I437-R441 PolarHBondContact O-N 3.48Å; I437-Y479 HydrophobicContact CB-CE1 4.47Å; I437-Y479 HydrophobicContact CB-CE2 4.23Å; I437-Y479 HydrophobicContact CG1-CE1 4.15Å; I437-Y479 HydrophobicContact CG2-CD1 4.37Å; I437-Y479 HydrophobicContact CG2-CD2 3.82Å; I437-Y479 HydrophobicContact CG2-CE1 4.39Å; I437-Y479 HydrophobicContact CG2-CE2 3.88Å; I437-Y479 HydrophobicContact CG2-CG 4.1Å
438L96.6Very high94.9Very high0 Ų030.2 Ų30.20%019%0.189CC..Hα-helixtrans-65.4-48.3-178.7-57.5179.5000111.7V422 F424 A433 H434 R435 A440 R441 C442 M445 F449 L475 L478 Y479V422-L438 HydrophobicContact CG1-CD1 3.95Å; F424-L438 HydrophobicContact CE2-CD1 3.65Å; F424-L438 HydrophobicContact CZ-CD1 3.7Å; A433-L438 HydrophobicContact CB-CD1 4.08Å; H434-L438 WeakPolarHBondContact O-CG 3.48Å; H434-L438 PolarHBondContact O-N 2.85Å; R435-L438 PolarHBondContact O-N 3.2Å; L438-A440 VanDerWaalsContact C-N 3.31Å; L438-A440 PolarHBondContact O-N 3.33Å; L438-R441 PolarHBondContact O-N 3.19Å; L438-C442 WeakPolarHBondContact O-CB 3.27Å; L438-C442 PolarHBondContact O-N 3.04Å; L438-M445 HydrophobicContact CB-CB 4.12Å; L438-M445 HydrophobicContact CB-SD 3.75Å; L438-M445 HydrophobicContact CD1-SD 4.05Å; L438-M445 HydrophobicContact CD2-SD 3.81Å; L438-M445 HydrophobicContact CG-SD 4.05Å; L438-F449 HydrophobicContact CB-CE2 4.18Å; L438-F449 HydrophobicContact CD1-CE2 3.72Å; L438-F449 HydrophobicContact CD1-CZ 4.26Å; L438-L475 HydrophobicContact CD2-CD2 3.54Å; L438-L478 HydrophobicContact CD2-CD1 3.65Å; L438-Y479 HydrophobicContact CD2-CE2 4.47Å
439V95.3Very high94.8Very high11 Ų1127.7 Ų27.77%0.06716%0.159CC..Hα-helixtrans-67.4-33.6179.8-55.70000111.9L247 Q252 R435 R441 A446 F449L247-V439 HydrophobicContact CD1-CG2 4.07Å; Q252-V439 HydrophobicContact CB-CG2 4.36Å; R435-V439 WeakPolarHBondContact O-CG1 3.26Å; R435-V439 WeakPolarHBondContact O-CG2 3.41Å; R435-V439 PolarHBondContact O-N 2.97Å; V439-R441 VanDerWaalsContact C-N 3.29Å; V439-R441 PolarHBondContact O-N 3.14Å; V439-A446 HydrophobicContact CB-CB 4.02Å; V439-F449 HydrophobicContact CG1-CB 3.95Å; V439-F449 HydrophobicContact CG1-CD2 3.93Å; V439-F449 HydrophobicContact CG1-CG 4.44Å
440A95.2Very high94.2Very high20 Ų2029.7 Ų29.717%0.16517%0.168CC..Hα-helixtrans-67.2-32.5176.800000112.3D243 L247 A436 L438D243-A440 WeakPolarHBondContact CB-O 3.46Å; L247-A440 HydrophobicContact CB-CB 3.92Å; L247-A440 HydrophobicContact CD1-CB 4.27Å; L247-A440 HydrophobicContact CD2-CB 4.1Å; L247-A440 HydrophobicContact CG-CB 4.31Å; A436-A440 VanDerWaalsContact O-CB 3.3Å; A436-A440 WeakPolarHBondContact O-CB 3.28Å; A436-A440 PolarHBondContact O-N 2.8Å; L438-A440 VanDerWaalsContact C-N 3.31Å; L438-A440 PolarHBondContact O-N 3.33Å
441R95.4Very high93.1Very high19 Ų1927.9 Ų27.97%0.07217%0.167CC..Hα-helixtrans-115.3-2.9-164.3-60.4-74.2-70.8151.84.6114.1Y240 D243 I437 L438 V439 L478 D481Y240-R441 VanDerWaalsContact CD2-CZ 3.47Å; D243-R441 IonicContact OD2-CZ 3.85Å; D243-R441 IonicContact OD2-NE 2.66Å; D243-R441 IonicContact OD2-NH1 2.68Å; D243-R441 PolarHBondContact OD2-NH1 3Å; I437-R441 HydrophobicContact CG2-CG 4.47Å; I437-R441 VanDerWaalsContact O-CB 3.3Å; I437-R441 WeakPolarHBondContact O-CB 3.42Å; I437-R441 VanDerWaalsContact O-CG 3.27Å; I437-R441 WeakPolarHBondContact O-CG 3.46Å; I437-R441 PolarHBondContact O-N 3.48Å; L438-R441 PolarHBondContact O-N 3.19Å; V439-R441 VanDerWaalsContact C-N 3.29Å; V439-R441 PolarHBondContact O-N 3.14Å; R441-L478 HydrophobicContact CB-CB 4.19Å; R441-L478 HydrophobicContact CB-CD2 3.8Å; R441-L478 HydrophobicContact CB-CG 4.48Å; R441-L478 PolarHBondContact NE-O 3.28Å; R441-L478 WeakPolarHBondContact O-CD2 3.37Å; R441-D481 IonicContact CZ-OD1 2.88Å; R441-D481 IonicContact NH1-OD1 2.75Å; R441-D481 IonicContact NH2-OD1 3.89Å; R441-D481 PolarHBondContact NH2-OD1 3.25Å
442C96.4Very high92Very high3 Ų335.4 Ų35.42%0.0221%0.207CC..  trans-149.4110-177.3174.90000110.3L438 V444 M445 A446 L478 Y501 V503L438-C442 WeakPolarHBondContact O-CB 3.27Å; L438-C442 PolarHBondContact O-N 3.04Å; C442-V444 VanDerWaalsContact C-N 3.3Å; C442-V444 PolarHBondContact O-N 3.19Å; C442-M445 HydrophobicContact CB-CB 4Å; C442-M445 HydrophobicContact CB-CG 4.22Å; C442-M445 HydrophobicContact CB-SD 4.25Å; C442-M445 PolarHBondContact O-N 3.39Å; C442-M445 VanDerWaalsContact O-N 3.12Å; C442-M445 PolarHBondContact SG-N 3.39Å; C442-M445 VanDerWaalsContact SG-N 3.44Å; C442-A446 PolarHBondContact O-N 3.13Å; C442-L478 HydrophobicContact CB-CD1 4.3Å; C442-L478 HydrophobicContact CB-CD2 4.29Å; C442-Y501 PolarHBondContact SG-O 2.66Å; C442-Y501 VanDerWaalsContact SG-O 3.37Å; C442-V503 HydrophobicContact CB-CG2 4.35Å
443E93.8Very high91.2Very high159 Ų15941.4 Ų41.474%0.74323%0.228SC*.Hα-helixtrans-61.8-36.6-178-63.6-174.4169.900112.6M445 A446 A447E443-M445 VanDerWaalsContact C-N 3.33Å; E443-M445 PolarHBondContact O-N 2.86Å; E443-A446 WeakPolarHBondContact O-CB 2.99Å; E443-A446 PolarHBondContact O-N 3.45Å; E443-A447 PolarHBondContact O-N 3.19Å
444V94.9Very high90.1Very high47 Ų4748.9 Ų48.929%0.28527%0.265SS..Hα-helixtrans-62.8-41.6176174.80000110.8C442 A447 M448 Y501 Q502C442-V444 VanDerWaalsContact C-N 3.3Å; C442-V444 PolarHBondContact O-N 3.19Å; V444-A447 PolarHBondContact O-N 2.95Å; V444-M448 WeakPolarHBondContact O-CB 3.32Å; V444-M448 PolarHBondContact O-N 3.48Å; V444-Y501 HydrophobicContact CB-CD1 4.28Å; V444-Y501 HydrophobicContact CG1-CD1 4Å; V444-Y501 WeakPolarHBondContact CG2-O 3.42Å; V444-Q502 HydrophobicContact CG2-CB 3.91Å; V444-Q502 HydrophobicContact CG2-CG 3.75Å
445M94.8Very high89.5Confident0 Ų051.9 Ų51.90%028%0.279CS..Hα-helixtrans-73.5-33.2176.1-72.1179.8172.900112.1F424 L438 C442 E443 A447 M448 F449 F471 F474 L478 Y501F424-M445 HydrophobicContact CZ-CE 4.08Å; L438-M445 HydrophobicContact CB-CB 4.12Å; L438-M445 HydrophobicContact CB-SD 3.75Å; L438-M445 HydrophobicContact CD1-SD 4.05Å; L438-M445 HydrophobicContact CD2-SD 3.81Å; L438-M445 HydrophobicContact CG-SD 4.05Å; C442-M445 HydrophobicContact CB-CB 4Å; C442-M445 HydrophobicContact CB-CG 4.22Å; C442-M445 HydrophobicContact CB-SD 4.25Å; C442-M445 PolarHBondContact O-N 3.39Å; C442-M445 VanDerWaalsContact O-N 3.12Å; C442-M445 PolarHBondContact SG-N 3.39Å; C442-M445 VanDerWaalsContact SG-N 3.44Å; E443-M445 VanDerWaalsContact C-N 3.33Å; E443-M445 PolarHBondContact O-N 2.86Å; M445-A447 VanDerWaalsContact C-N 3.33Å; M445-M448 PolarHBondContact O-N 3.41Å; M445-F449 HydrophobicContact CB-CD2 4.24Å; M445-F449 HydrophobicContact CB-CE2 4.1Å; M445-F449 HydrophobicContact CG-CE2 4.44Å; M445-F449 WeakPolarHBondContact O-CB 3.42Å; M445-F449 WeakPolarHBondContact O-CD2 3.38Å; M445-F449 PolarHBondContact O-N 2.74Å; M445-F471 HydrophobicContact CE-CE2 4.08Å; M445-F471 HydrophobicContact CE-CZ 4.04Å; M445-F474 HydrophobicContact CE-CE1 3.78Å; M445-F474 HydrophobicContact SD-CE1 4.38Å; M445-L478 HydrophobicContact SD-CD1 4.24Å; M445-Y501 HydrophobicContact CE-CD1 3.95Å; M445-Y501 HydrophobicContact CE-CE1 3.61Å; M445-Y501 HydrophobicContact CG-CD1 4.24Å; M445-Y501 HydrophobicContact CG-CE1 4.35Å
446A93.1Very high88.8Confident19 Ų1951 Ų5116%0.15728%0.28CS..Hα-helixtrans-59.1-45170.700000111.2V439 C442 E443 N450V439-A446 HydrophobicContact CB-CB 4.02Å; C442-A446 PolarHBondContact O-N 3.13Å; E443-A446 WeakPolarHBondContact O-CB 2.99Å; E443-A446 PolarHBondContact O-N 3.45Å; A446-N450 WeakPolarHBondContact O-CB 3.23Å; A446-N450 PolarHBondContact O-N 3.34Å
447A91.6Very high88Confident55 Ų5557.8 Ų57.846%0.45531%0.309SS..Hα-helixtrans-65.7-42.8174.600000112.1E443 V444 M445 F449 N450 Y453E443-A447 PolarHBondContact O-N 3.19Å; V444-A447 PolarHBondContact O-N 2.95Å; M445-A447 VanDerWaalsContact C-N 3.33Å; A447-F449 VanDerWaalsContact C-N 3.34Å; A447-F449 PolarHBondContact O-N 3.32Å; A447-N450 PolarHBondContact O-N 3.09Å; A447-N450 VanDerWaalsContact O-O 3.14Å; A447-Y453 WeakPolarHBondContact O-CD2 3.45Å
448M90.6Very high87.5Confident38 Ų3859.9 Ų59.919%0.18732%0.324CS..Hα-helixtrans-60.1-40.8179179.6-175.7-70.900112.7V444 M445 E455 I461V444-M448 WeakPolarHBondContact O-CB 3.32Å; V444-M448 PolarHBondContact O-N 3.48Å; M445-M448 PolarHBondContact O-N 3.41Å; M448-E455 HydrophobicContact CG-CB 3.48Å; M448-E455 VanDerWaalsContact CG-CB 3.48Å; M448-E455 HydrophobicContact CG-CG 3.81Å; M448-E455 HydrophobicContact SD-CB 4.28Å; M448-E455 HydrophobicContact SD-CG 4.24Å; M448-I461 HydrophobicContact SD-CG2 4.15Å
449F89.6Confident87.1Confident12 Ų1264.3 Ų64.35%0.05335%0.351CS..THydrogen-bonded Turntrans-93.41.9-176.6-62.8-48000114.4V422 F424 R435 L438 V439 M445 A447 I461V422-F449 HydrophobicContact CG2-CE1 4.02Å; V422-F449 HydrophobicContact CG2-CZ 3.94Å; F424-F449 HydrophobicContact CE1-CZ 4.33Å; F424-F449 HydrophobicContact CZ-CE2 4.47Å; F424-F449 AromaticContact CZ-CZ 3.96Å; F424-F449 HydrophobicContact CZ-CZ 3.96Å; R435-F449 HydrophobicContact CG-CD2 4.31Å; R435-F449 HydrophobicContact CG-CE2 4.44Å; R435-F449 HydrophobicContact CG-CG 4.37Å; R435-F449 VanDerWaalsContact NH2-CD1 3.31Å; L438-F449 HydrophobicContact CB-CE2 4.18Å; L438-F449 HydrophobicContact CD1-CE2 3.72Å; L438-F449 HydrophobicContact CD1-CZ 4.26Å; V439-F449 HydrophobicContact CG1-CB 3.95Å; V439-F449 HydrophobicContact CG1-CD2 3.93Å; V439-F449 HydrophobicContact CG1-CG 4.44Å; M445-F449 HydrophobicContact CB-CD2 4.24Å; M445-F449 HydrophobicContact CB-CE2 4.1Å; M445-F449 HydrophobicContact CG-CE2 4.44Å; M445-F449 WeakPolarHBondContact O-CB 3.42Å; M445-F449 WeakPolarHBondContact O-CD2 3.38Å; M445-F449 PolarHBondContact O-N 2.74Å; A447-F449 VanDerWaalsContact C-N 3.34Å; A447-F449 PolarHBondContact O-N 3.32Å; F449-I461 HydrophobicContact CE1-CD1 4.34Å; F449-I461 HydrophobicContact CE1-CG1 4.13Å
450N81.8Confident86.9Confident91 Ų9167.7 Ų67.749%0.48737%0.368SS..SBendtrans-112.8155.6177.8-161.910.5000111.4A446 A447 Y453A446-N450 WeakPolarHBondContact O-CB 3.23Å; A446-N450 PolarHBondContact O-N 3.34Å; A447-N450 PolarHBondContact O-N 3.09Å; A447-N450 VanDerWaalsContact O-O 3.14Å; N450-Y453 WeakPolarHBondContact O-CD2 3.48Å
451G73Confident86.9Confident49 Ų4967 Ų6751%0.50536%0.361SS..THydrogen-bonded Turntrans71.7-143.5177.700000114.9
452N74.4Confident86.8Confident157 Ų15768.9 Ų68.984%0.8438%0.376SS*.THydrogen-bonded Turntrans-10112.4-167.3-72.1-29000114.7
453Y79.3Confident86.7Confident142 Ų14269.3 Ų69.356%0.55738%0.379SS*.  trans-65.7152.2177-67-74.6000111.5A447 N450 E455 A456A447-Y453 WeakPolarHBondContact O-CD2 3.45Å; N450-Y453 WeakPolarHBondContact O-CD2 3.48Å; Y453-E455 PolarHBondContact O-N 3.02Å; Y453-A456 VanDerWaalsContact O-CB 3.23Å; Y453-A456 WeakPolarHBondContact O-CB 3.14Å; Y453-A456 PolarHBondContact O-N 3.43Å; Y453-A456 VanDerWaalsContact O-N 3.12Å
454M75.4Confident86.7Confident159 Ų15970.5 Ų70.578%0.78338%0.378SS*.G310 helixtrans-65.5-34.1-179.5-67.7-158.5-58.900111.1A456 K457 S458M454-A456 PolarHBondContact O-N 2.86Å; M454-K457 PolarHBondContact O-N 3.05Å; M454-S458 PolarHBondContact O-N 2.79Å
455E82.4Confident86.4Confident65 Ų6572.5 Ų72.530%0.30441%0.407SS..G310 helixtrans-62.4-27175.5-61.686.8164.800112.2R435 M448 Y453 K457 I461R435-E455 PolarHBondContact NH2-O 3.32Å; M448-E455 HydrophobicContact CG-CB 3.48Å; M448-E455 VanDerWaalsContact CG-CB 3.48Å; M448-E455 HydrophobicContact CG-CG 3.81Å; M448-E455 HydrophobicContact SD-CB 4.28Å; M448-E455 HydrophobicContact SD-CG 4.24Å; Y453-E455 PolarHBondContact O-N 3.02Å; E455-K457 PolarHBondContact O-N 3.19Å; E455-I461 HydrophobicContact CB-CD1 3.71Å; E455-I461 HydrophobicContact CG-CD1 3.87Å; E455-I461 HydrophobicContact CG-CG2 4.39Å
456A79.9Confident86.4Confident21 Ų2173 Ų7317%0.17441%0.411CS..G310 helixtrans-64.3-2617400000112R435 Y453 M454R435-A456 PolarHBondContact NH2-O 3.47Å; Y453-A456 VanDerWaalsContact O-CB 3.23Å; Y453-A456 WeakPolarHBondContact O-CB 3.14Å; Y453-A456 PolarHBondContact O-N 3.43Å; Y453-A456 VanDerWaalsContact O-N 3.12Å; M454-A456 PolarHBondContact O-N 2.86Å
457K79.2Confident86.5Confident145 Ų14574.1 Ų74.163%0.6342%0.417SS*.THydrogen-bonded Turntrans-111.6-10.6-177.8-60.6178-175.8174.60113.5M454 E455M454-K457 PolarHBondContact O-N 3.05Å; E455-K457 PolarHBondContact O-N 3.19Å
458S85.1Confident86.7Confident46 Ų4675 Ų7532%0.32241%0.41SS..  trans-92.3139.2179.2-1710000111.7M454 L460M454-S458 PolarHBondContact O-N 2.79Å; S458-L460 PolarHBondContact OG-N 3.5Å; S458-L460 PolarHBondContact OG-O 2.95Å
459V87.2Confident86.9Confident92 Ų9278.8 Ų78.856%0.55843%0.428SS*.SBendtrans-85.7-28.5169.4177.90000111V422 V423V422-V459 CarbonylContact C-O 3.57Å; V423-V459 HydrophobicContact CG2-CG1 4.41Å; V423-V459 PolarHBondContact N-O 3.13Å
460L92.9Very high87.2Confident82 Ų8278.7 Ų78.743%0.42943%0.428SS..EExtended strand (participates in β ladder)trans-103.6118.4-179.9-172.867.6000109.9V423 E425 S458V423-L460 HydrophobicContact CB-CD1 4.23Å; V423-L460 HydrophobicContact CG1-CD1 4.06Å; V423-L460 CarbonylContact O-C 3.46Å; V423-L460 WeakPolarHBondContact O-CA 3.38Å; E425-L460 HydrophobicContact CB-CD1 4.07Å; S458-L460 PolarHBondContact OG-N 3.5Å; S458-L460 PolarHBondContact OG-O 2.95Å
461I94.1Very high87.9Confident5 Ų574.3 Ų74.33%0.02641%0.405CS..EExtended strand (participates in β ladder)trans-119.3114.7-175.5-52.2-61.7000109.6V422 V423 F424 E425 M448 F449 E455V422-I461 HydrophobicContact CG2-CG1 3.63Å; V423-I461 PolarHBondContact O-N 3.17Å; F424-I461 CarbonylContact C-O 3.54Å; F424-I461 VanDerWaalsContact CA-O 3.23Å; F424-I461 WeakPolarHBondContact CA-O 3.41Å; F424-I461 HydrophobicContact CD1-CB 3.7Å; F424-I461 HydrophobicContact CD1-CG2 3.9Å; F424-I461 HydrophobicContact CE1-CB 3.86Å; F424-I461 HydrophobicContact CE1-CG1 4.39Å; F424-I461 HydrophobicContact CE1-CG2 3.82Å; E425-I461 PolarHBondContact N-O 3.11Å; M448-I461 HydrophobicContact SD-CG2 4.15Å; F449-I461 HydrophobicContact CE1-CD1 4.34Å; F449-I461 HydrophobicContact CE1-CG1 4.13Å; E455-I461 HydrophobicContact CB-CD1 3.71Å; E455-I461 HydrophobicContact CG-CD1 3.87Å; E455-I461 HydrophobicContact CG-CG2 4.39Å
462P93.9Very high89Confident59 Ų5974 Ų7438%0.38339%0.392SS..EExtended strand (participates in β ladder)trans-73140.4176.930.8-34.1000111Y464P462-Y464 HydrophobicContact CB-CE1 4.35Å; P462-Y464 HydrophobicContact CB-CE2 3.82Å; P462-Y464 WeakPolarHBondContact CB-OH 3.48Å; P462-Y464 HydrophobicContact CG-CE2 3.96Å
463V94.3Very high90.1Very high12 Ų1267.4 Ų67.47%0.07336%0.357CS..  trans-121.2124.7174.8177.10000108.8F424 E425 I426 V466 F471F424-V463 HydrophobicContact CB-CG2 4.07Å; F424-V463 HydrophobicContact CD1-CG2 3.53Å; F424-V463 HydrophobicContact CE1-CG2 4.35Å; F424-V463 HydrophobicContact CG-CG2 4.13Å; E425-V463 PolarHBondContact O-N 3.42Å; I426-V463 HydrophobicContact CG1-CB 3.66Å; I426-V463 HydrophobicContact CG1-CG1 4.19Å; I426-V463 HydrophobicContact CG1-CG2 4.14Å; V463-V466 HydrophobicContact CG1-CB 4.16Å; V463-V466 HydrophobicContact CG1-CG2 4.48Å; V463-F471 HydrophobicContact CG1-CD2 4.18Å; V463-F471 HydrophobicContact CG1-CE2 4.28Å; V463-F471 HydrophobicContact CG2-CE2 4.16Å; V463-F471 HydrophobicContact CG2-CZ 4.18Å
464Y92.4Very high91Very high185 Ų18560.6 Ų60.673%0.72533%0.331SS*.  trans-112.3152.5-177-55.4-72.3000111.2P462 V466P462-Y464 HydrophobicContact CB-CE1 4.35Å; P462-Y464 HydrophobicContact CB-CE2 3.82Å; P462-Y464 WeakPolarHBondContact CB-OH 3.48Å; P462-Y464 HydrophobicContact CG-CE2 3.96Å; Y464-V466 PolarHBondContact O-N 3.08Å; Y464-V466 VanDerWaalsContact O-N 3.09Å
465G90.1Very high92Very high88 Ų8853 Ų5391%0.90729%0.293SS*.SBendtrans73-4.3173.900000116
466V94.4Very high92.6Very high12 Ų1252.4 Ų52.47%0.07329%0.29CS..SBendtrans-117.8134178.9-1740000109.7I426 V463 Y464 T470 F471 M500I426-V466 WeakPolarHBondContact CG2-O 3.04Å; V463-V466 HydrophobicContact CG1-CB 4.16Å; V463-V466 HydrophobicContact CG1-CG2 4.48Å; Y464-V466 PolarHBondContact O-N 3.08Å; Y464-V466 VanDerWaalsContact O-N 3.09Å; V466-T470 HydrophobicContact CG1-CG2 3.89Å; V466-F471 HydrophobicContact CG1-CB 4.03Å; V466-F471 HydrophobicContact CG1-CD2 4.5Å; V466-M500 HydrophobicContact CG2-CE 4.13Å; V466-M500 HydrophobicContact CG2-SD 4.12Å
467S94.9Very high93.3Very high41 Ų4151.6 Ų51.629%0.28728%0.283SS..  trans-71.3152.5175.283.60000110.9E469 T470 F471S467-E469 PolarHBondContact O-N 3.09Å; S467-T470 PolarHBondContact O-N 2.81Å; S467-T470 WeakPolarHBondContact OG-CB 3.44Å; S467-T470 PolarHBondContact OG-N 3.31Å; S467-T470 VanDerWaalsContact OG-N 3.09Å; S467-T470 PolarHBondContact OG-OG1 3.11Å; S467-F471 PolarHBondContact O-N 3.06Å
468K95.4Very high94.2Very high73 Ų7344.7 Ų44.732%0.31725%0.253SS..Hα-helixtrans-54.4-42.4175.1-175.9-170.7-173166.70112.4I426 T429 V431 F471 L472I426-K468 HydrophobicContact CG2-CB 4.09Å; T429-K468 WeakPolarHBondContact OG1-CD 3.07Å; V431-K468 HydrophobicContact CG2-CG 4.27Å; K468-F471 PolarHBondContact O-N 3.07Å; K468-L472 HydrophobicContact CG-CD1 4.08Å; K468-L472 HydrophobicContact CG-CG 4.46Å; K468-L472 WeakPolarHBondContact O-CB 3.03Å; K468-L472 VanDerWaalsContact O-CG 3.32Å; K468-L472 WeakPolarHBondContact O-CG 3.25Å; K468-L472 PolarHBondContact O-N 3.13Å
469E94.7Very high94.6Very high119 Ų11942.5 Ų42.556%0.55624%0.237SC*.Hα-helixtrans-63-48.3-179.3-175-177.9176.500111.2S467 F471 L472 S473 Q490S467-E469 PolarHBondContact O-N 3.09Å; E469-F471 VanDerWaalsContact C-N 3.33Å; E469-F471 PolarHBondContact O-N 2.94Å; E469-L472 PolarHBondContact O-N 3.5Å; E469-S473 PolarHBondContact O-N 2.96Å; E469-S473 PolarHBondContact O-OG 3.16Å; E469-Q490 PolarHBondContact OE1-NE2 2.69Å
470T96.4Very high94.8Very high9 Ų938.5 Ų38.56%0.05521%0.213CC..Hα-helixtrans-59.8-44.5176.8-53.90000111.4V466 S467 L472 S473 F474 C493 L494 C497V466-T470 HydrophobicContact CG1-CG2 3.89Å; S467-T470 PolarHBondContact O-N 2.81Å; S467-T470 WeakPolarHBondContact OG-CB 3.44Å; S467-T470 PolarHBondContact OG-N 3.31Å; S467-T470 VanDerWaalsContact OG-N 3.09Å; S467-T470 PolarHBondContact OG-OG1 3.11Å; T470-L472 PolarHBondContact O-N 2.9Å; T470-S473 PolarHBondContact O-N 3.48Å; T470-F474 PolarHBondContact O-N 2.93Å; T470-C493 HydrophobicContact CG2-CB 3.95Å; T470-C493 WeakPolarHBondContact CG2-O 3.34Å; T470-L494 HydrophobicContact CG2-CB 4.47Å; T470-L494 HydrophobicContact CG2-CD1 4.44Å; T470-C497 HydrophobicContact CG2-CB 3.85Å
471F97Very high94.7Very high0 Ų035.2 Ų35.20%020%0.196CC..Hα-helixtrans-66.7-36.9179.7-167.1-100.8000112.3F424 I426 V431 M445 V463 V466 S467 K468 E469 F474 L475 Y501F424-F471 HydrophobicContact CB-CE1 3.93Å; F424-F471 HydrophobicContact CB-CZ 4.31Å; F424-F471 HydrophobicContact CD1-CE1 4.38Å; F424-F471 AromaticContact CD1-CZ 3.94Å; F424-F471 HydrophobicContact CD1-CZ 3.94Å; F424-F471 AromaticContact CD2-CE1 3.56Å; F424-F471 HydrophobicContact CD2-CE1 3.56Å; F424-F471 AromaticContact CD2-CZ 3.71Å; F424-F471 HydrophobicContact CD2-CZ 3.71Å; F424-F471 HydrophobicContact CE1-CZ 4.14Å; F424-F471 HydrophobicContact CE2-CE1 4.11Å; F424-F471 AromaticContact CE2-CZ 3.9Å; F424-F471 HydrophobicContact CE2-CZ 3.9Å; F424-F471 AromaticContact CG-CE1 3.69Å; F424-F471 HydrophobicContact CG-CE1 3.69Å; F424-F471 AromaticContact CG-CZ 3.71Å; F424-F471 HydrophobicContact CG-CZ 3.71Å; F424-F471 HydrophobicContact CZ-CZ 4.11Å; I426-F471 HydrophobicContact CD1-CB 3.92Å; I426-F471 HydrophobicContact CD1-CD1 3.3Å; I426-F471 HydrophobicContact CD1-CE1 3.87Å; I426-F471 HydrophobicContact CD1-CG 3.68Å; V431-F471 HydrophobicContact CG1-CD1 4.48Å; M445-F471 HydrophobicContact CE-CE2 4.08Å; M445-F471 HydrophobicContact CE-CZ 4.04Å; V463-F471 HydrophobicContact CG1-CD2 4.18Å; V463-F471 HydrophobicContact CG1-CE2 4.28Å; V463-F471 HydrophobicContact CG2-CE2 4.16Å; V463-F471 HydrophobicContact CG2-CZ 4.18Å; V466-F471 HydrophobicContact CG1-CB 4.03Å; V466-F471 HydrophobicContact CG1-CD2 4.5Å; S467-F471 PolarHBondContact O-N 3.06Å; K468-F471 PolarHBondContact O-N 3.07Å; E469-F471 VanDerWaalsContact C-N 3.33Å; E469-F471 PolarHBondContact O-N 2.94Å; F471-F474 HydrophobicContact CD2-CD1 4.47Å; F471-F474 HydrophobicContact CE2-CD1 4.36Å; F471-F474 WeakPolarHBondContact O-CB 3.18Å; F471-F474 PolarHBondContact O-N 3.16Å; F471-L475 HydrophobicContact CD1-CD1 3.9Å; F471-L475 HydrophobicContact CD1-CG 4.02Å; F471-L475 HydrophobicContact CE1-CD1 3.63Å; F471-L475 HydrophobicContact CE1-CD2 4.11Å; F471-L475 HydrophobicContact CE1-CG 3.8Å; F471-L475 HydrophobicContact CZ-CD2 4.26Å; F471-L475 HydrophobicContact CZ-CG 4.37Å; F471-L475 WeakPolarHBondContact O-CG 3.45Å; F471-L475 PolarHBondContact O-N 2.92Å; F471-Y501 HydrophobicContact CE2-CE2 4.2Å
472L96.1Very high94.3Very high43 Ų4338 Ų3823%0.22522%0.216CC..Hα-helixtrans-64.9-40.3173.6-75.6172.6000112.1N415 V431 K468 E469 T470 F474 L475 E476N415-L472 HydrophobicContact CB-CD2 3.84Å; V431-L472 HydrophobicContact CG1-CD2 3.73Å; V431-L472 HydrophobicContact CG2-CD2 4.32Å; K468-L472 HydrophobicContact CG-CD1 4.08Å; K468-L472 HydrophobicContact CG-CG 4.46Å; K468-L472 WeakPolarHBondContact O-CB 3.03Å; K468-L472 VanDerWaalsContact O-CG 3.32Å; K468-L472 WeakPolarHBondContact O-CG 3.25Å; K468-L472 PolarHBondContact O-N 3.13Å; E469-L472 PolarHBondContact O-N 3.5Å; T470-L472 PolarHBondContact O-N 2.9Å; L472-F474 VanDerWaalsContact C-N 3.32Å; L472-L475 PolarHBondContact O-N 2.94Å; L472-E476 WeakPolarHBondContact O-CB 3.48Å; L472-E476 PolarHBondContact O-N 3.27Å
473S96.3Very high93.7Very high17 Ų1736 Ų3612%0.11920%0.204CC..Hα-helixtrans-64.5-37173.1-59.50000112.2E469 T470 E476 Y477 Q490E469-S473 PolarHBondContact O-N 2.96Å; E469-S473 PolarHBondContact O-OG 3.16Å; T470-S473 PolarHBondContact O-N 3.48Å; S473-E476 PolarHBondContact O-N 3.47Å; S473-Y477 PolarHBondContact O-N 3.28Å; S473-Y477 VanDerWaalsContact O-N 3.1Å; S473-Q490 PolarHBondContact OG-NE2 3.33Å
474F97.8Very high93.1Very high0 Ų041 Ų410%024%0.237CC..Hα-helixtrans-62.6-48.9173.5176.4-102.6000111.4M445 T470 F471 L472 E476 Y477 L478 L494 Y501 V503 L506M445-F474 HydrophobicContact CE-CE1 3.78Å; M445-F474 HydrophobicContact SD-CE1 4.38Å; T470-F474 PolarHBondContact O-N 2.93Å; F471-F474 HydrophobicContact CD2-CD1 4.47Å; F471-F474 HydrophobicContact CE2-CD1 4.36Å; F471-F474 WeakPolarHBondContact O-CB 3.18Å; F471-F474 PolarHBondContact O-N 3.16Å; L472-F474 VanDerWaalsContact C-N 3.32Å; F474-E476 VanDerWaalsContact C-N 3.35Å; F474-E476 PolarHBondContact O-N 3.46Å; F474-Y477 WeakPolarHBondContact O-CB 3.38Å; F474-Y477 PolarHBondContact O-N 2.92Å; F474-L478 HydrophobicContact CD1-CD1 4.26Å; F474-L478 HydrophobicContact CE1-CD1 3.63Å; F474-L478 HydrophobicContact CE1-CG 4.2Å; F474-L478 HydrophobicContact CZ-CD1 3.99Å; F474-L478 HydrophobicContact CZ-CD2 4.17Å; F474-L478 HydrophobicContact CZ-CG 4.27Å; F474-L478 PolarHBondContact O-N 3.35Å; F474-L478 VanDerWaalsContact O-N 3.13Å; F474-L494 HydrophobicContact CB-CD1 3.86Å; F474-Y501 HydrophobicContact CD1-CD2 4.45Å; F474-Y501 AromaticContact CE1-CD2 3.96Å; F474-Y501 HydrophobicContact CE1-CD2 3.96Å; F474-Y501 HydrophobicContact CE1-CE2 4.48Å; F474-Y501 HydrophobicContact CE1-CG 4.02Å; F474-Y501 HydrophobicContact CE2-CD2 4.29Å; F474-Y501 HydrophobicContact CE2-CG 4.36Å; F474-Y501 VanDerWaalsContact CZ-CB 3.46Å; F474-Y501 AromaticContact CZ-CD2 3.89Å; F474-Y501 HydrophobicContact CZ-CD2 3.89Å; F474-Y501 AromaticContact CZ-CG 3.72Å; F474-Y501 HydrophobicContact CZ-CG 3.72Å; F474-V503 HydrophobicContact CE2-CB 4.22Å; F474-V503 HydrophobicContact CE2-CG2 3.65Å; F474-V503 HydrophobicContact CZ-CG2 3.82Å; F474-L506 HydrophobicContact CD2-CD2 3.57Å; F474-L506 HydrophobicContact CE2-CD2 4.08Å
475L96.9Very high92.9Very high0 Ų032.5 Ų32.50%021%0.205CC..Hα-helixtrans-61.9-41.3174.7-70-175.8000112L414 V431 A433 L438 F471 L472 Y477 L478 Y479L414-L475 HydrophobicContact CD1-CB 3.61Å; V431-L475 HydrophobicContact CG1-CD1 3.6Å; A433-L475 HydrophobicContact CB-CD1 4.34Å; L438-L475 HydrophobicContact CD2-CD2 3.54Å; F471-L475 HydrophobicContact CD1-CD1 3.9Å; F471-L475 HydrophobicContact CD1-CG 4.02Å; F471-L475 HydrophobicContact CE1-CD1 3.63Å; F471-L475 HydrophobicContact CE1-CD2 4.11Å; F471-L475 HydrophobicContact CE1-CG 3.8Å; F471-L475 HydrophobicContact CZ-CD2 4.26Å; F471-L475 HydrophobicContact CZ-CG 4.37Å; F471-L475 WeakPolarHBondContact O-CG 3.45Å; F471-L475 PolarHBondContact O-N 2.92Å; L472-L475 PolarHBondContact O-N 2.94Å; L475-Y477 PolarHBondContact O-N 2.88Å; L475-L478 HydrophobicContact CD2-CD1 4.3Å; L475-L478 PolarHBondContact O-N 3.32Å; L475-L478 VanDerWaalsContact O-N 3.09Å; L475-Y479 WeakPolarHBondContact O-CD2 3.26Å; L475-Y479 PolarHBondContact O-N 2.95Å
476E95.3Very high92.8Very high51 Ų5132.7 Ų32.724%0.23820%0.198CC..Hα-helixtrans-55.6-42.6176.2-175.7171.4-169.900111.5K411 L414 L472 S473 F474 Y479 T480K411-E476 IonicContact NZ-OE1 3.5Å; K411-E476 PolarHBondContact NZ-OE1 2.97Å; L414-E476 HydrophobicContact CD2-CB 3.77Å; L414-E476 HydrophobicContact CD2-CG 4.05Å; L472-E476 WeakPolarHBondContact O-CB 3.48Å; L472-E476 PolarHBondContact O-N 3.27Å; S473-E476 PolarHBondContact O-N 3.47Å; F474-E476 VanDerWaalsContact C-N 3.35Å; F474-E476 PolarHBondContact O-N 3.46Å; E476-Y479 PolarHBondContact O-N 3.24Å; E476-T480 WeakPolarHBondContact O-CB 3.48Å; E476-T480 WeakPolarHBondContact O-CG2 3.39Å; E476-T480 PolarHBondContact O-N 3Å; E476-T480 PolarHBondContact O-OG1 3.28Å
477Y95.7Very high92.7Very high4 Ų433.2 Ų33.22%0.01621%0.206CC..Hα-helixtrans-61.7-46.5174.5174.1-97.2000112.5S473 F474 L475 Y479 T480 D481 S482 V503 R505 L506 I509S473-Y477 PolarHBondContact O-N 3.28Å; S473-Y477 VanDerWaalsContact O-N 3.1Å; F474-Y477 WeakPolarHBondContact O-CB 3.38Å; F474-Y477 PolarHBondContact O-N 2.92Å; L475-Y477 PolarHBondContact O-N 2.88Å; Y477-Y479 PolarHBondContact O-N 3.44Å; Y477-T480 PolarHBondContact O-N 3.43Å; Y477-D481 VanDerWaalsContact O-CA 3.26Å; Y477-D481 WeakPolarHBondContact O-CA 3.27Å; Y477-D481 PolarHBondContact O-N 3.28Å; Y477-D481 PolarHBondContact OH-OD1 2.95Å; Y477-S482 WeakPolarHBondContact CA-O 3.49Å; Y477-V503 HydrophobicContact CD1-CG1 4.03Å; Y477-V503 HydrophobicContact CE1-CG1 3.46Å; Y477-V503 VanDerWaalsContact CE1-CG1 3.46Å; Y477-R505 WeakPolarHBondContact OH-CD 3.34Å; Y477-R505 VanDerWaalsContact OH-CG 3.3Å; Y477-R505 WeakPolarHBondContact OH-CG 3.4Å; Y477-L506 HydrophobicContact CD1-CB 3.85Å; Y477-L506 HydrophobicContact CD1-CD1 4.23Å; Y477-L506 HydrophobicContact CD1-CD2 3.76Å; Y477-L506 HydrophobicContact CD1-CG 4.16Å; Y477-L506 HydrophobicContact CD2-CB 4.46Å; Y477-L506 HydrophobicContact CD2-CD1 3.81Å; Y477-L506 HydrophobicContact CE1-CB 3.81Å; Y477-L506 HydrophobicContact CE2-CB 4.44Å; Y477-L506 HydrophobicContact CE2-CD1 4.43Å; Y477-L506 HydrophobicContact CG-CB 4.19Å; Y477-L506 HydrophobicContact CG-CD1 3.71Å; Y477-L506 HydrophobicContact CG-CD2 3.91Å; Y477-L506 HydrophobicContact CG-CG 4.15Å; Y477-I509 HydrophobicContact CD2-CD1 4.28Å; Y477-I509 HydrophobicContact CE2-CD1 3.65Å
478L96.3Very high92.7Very high0 Ų032.1 Ų32.10%020%0.196CC..Hα-helixtrans-58.6-37.8178.4-61.3-174.3000111.8L438 R441 C442 M445 F474 L475 V503L438-L478 HydrophobicContact CD2-CD1 3.65Å; R441-L478 HydrophobicContact CB-CB 4.19Å; R441-L478 HydrophobicContact CB-CD2 3.8Å; R441-L478 HydrophobicContact CB-CG 4.48Å; R441-L478 PolarHBondContact NE-O 3.28Å; R441-L478 WeakPolarHBondContact O-CD2 3.37Å; C442-L478 HydrophobicContact CB-CD1 4.3Å; C442-L478 HydrophobicContact CB-CD2 4.29Å; M445-L478 HydrophobicContact SD-CD1 4.24Å; F474-L478 HydrophobicContact CD1-CD1 4.26Å; F474-L478 HydrophobicContact CE1-CD1 3.63Å; F474-L478 HydrophobicContact CE1-CG 4.2Å; F474-L478 HydrophobicContact CZ-CD1 3.99Å; F474-L478 HydrophobicContact CZ-CD2 4.17Å; F474-L478 HydrophobicContact CZ-CG 4.27Å; F474-L478 PolarHBondContact O-N 3.35Å; F474-L478 VanDerWaalsContact O-N 3.13Å; L475-L478 HydrophobicContact CD2-CD1 4.3Å; L475-L478 PolarHBondContact O-N 3.32Å; L475-L478 VanDerWaalsContact O-N 3.09Å; L478-V503 HydrophobicContact CD2-CG2 4.41Å
479Y94.7Very high92.7Very high0 Ų035.6 Ų35.60%021%0.212CC..Hα-helixtrans-82.4-17.5-177.7-82.3-109.8000114.9Y240 I272 L410 F413 L414 H434 I437 L438 L475 E476 Y477Y240-Y479 PolarHBondContact OH-O 3.3Å; I272-Y479 HydrophobicContact CD1-CE1 3.99Å; L410-Y479 HydrophobicContact CB-CD1 4.17Å; L410-Y479 WeakPolarHBondContact CB-O 3.33Å; L410-Y479 WeakPolarHBondContact O-CD1 3.4Å; F413-Y479 HydrophobicContact CB-CE1 4.43Å; L414-Y479 HydrophobicContact CB-CD1 4.43Å; L414-Y479 HydrophobicContact CD1-CD2 4.03Å; L414-Y479 HydrophobicContact CD1-CE2 4.31Å; L414-Y479 HydrophobicContact CD1-CG 4.22Å; H434-Y479 VanDerWaalsContact CB-OH 3.26Å; H434-Y479 WeakPolarHBondContact CB-OH 3.2Å; H434-Y479 PolarHBondContact N-OH 3.04Å; H434-Y479 AromaticContact ND1-CZ 3.83Å; H434-Y479 PolarHBondContact ND1-OH 3.31Å; I437-Y479 HydrophobicContact CB-CE1 4.47Å; I437-Y479 HydrophobicContact CB-CE2 4.23Å; I437-Y479 HydrophobicContact CG1-CE1 4.15Å; I437-Y479 HydrophobicContact CG2-CD1 4.37Å; I437-Y479 HydrophobicContact CG2-CD2 3.82Å; I437-Y479 HydrophobicContact CG2-CE1 4.39Å; I437-Y479 HydrophobicContact CG2-CE2 3.88Å; I437-Y479 HydrophobicContact CG2-CG 4.1Å; L438-Y479 HydrophobicContact CD2-CE2 4.47Å; L475-Y479 WeakPolarHBondContact O-CD2 3.26Å; L475-Y479 PolarHBondContact O-N 2.95Å; E476-Y479 PolarHBondContact O-N 3.24Å; Y477-Y479 PolarHBondContact O-N 3.44Å
480T90.1Very high92.7Very high8 Ų831 Ų315%0.04919%0.19CC..Hα-helixtrans-138.8-5-168.769.60000115.1K411 E476 Y477 S482K411-T480 HydrophobicContact CB-CG2 3.75Å; K411-T480 HydrophobicContact CD-CG2 4.21Å; K411-T480 HydrophobicContact CG-CG2 4.22Å; E476-T480 WeakPolarHBondContact O-CB 3.48Å; E476-T480 WeakPolarHBondContact O-CG2 3.39Å; E476-T480 PolarHBondContact O-N 3Å; E476-T480 PolarHBondContact O-OG1 3.28Å; Y477-T480 PolarHBondContact O-N 3.43Å; T480-S482 PolarHBondContact O-N 3.05Å; T480-S482 VanDerWaalsContact O-N 3.09Å; T480-S482 PolarHBondContact O-OG 3.42Å; T480-S482 PolarHBondContact OG1-N 2.87Å; T480-S482 PolarHBondContact OG1-O 3.31Å; T480-S482 VanDerWaalsContact OG1-O 3.12Å
481D90.9Very high92.7Very high14 Ų1430.6 Ų30.68%0.07519%0.188CC..SBendtrans53.719.7-169.1-160.159.7000114.3S238 Y240 R441 Y477 R505S238-D481 WeakPolarHBondContact CB-OD2 3.35Å; S238-D481 PolarHBondContact OG-OD2 3.03Å; Y240-D481 HydrophobicContact CD2-CB 3.72Å; Y240-D481 HydrophobicContact CG-CB 3.92Å; R441-D481 IonicContact CZ-OD1 2.88Å; R441-D481 IonicContact NH1-OD1 2.75Å; R441-D481 IonicContact NH2-OD1 3.89Å; R441-D481 PolarHBondContact NH2-OD1 3.25Å; Y477-D481 VanDerWaalsContact O-CA 3.26Å; Y477-D481 WeakPolarHBondContact O-CA 3.27Å; Y477-D481 PolarHBondContact O-N 3.28Å; Y477-D481 PolarHBondContact OH-OD1 2.95Å; D481-R505 IonicContact OD1-NE 2.88Å; D481-R505 PolarHBondContact OD1-NE 3.43Å; D481-R505 IonicContact OD2-CZ 2.63Å; D481-R505 IonicContact OD2-NE 2.8Å; D481-R505 PolarHBondContact OD2-NE 3.22Å; D481-R505 IonicContact OD2-NH2 3.95Å; D481-R505 PolarHBondContact OD2-NH2 2.95Å; D481-R505 VanDerWaalsContact OD2-NH2 3.11Å
482S85.5Confident92.6Very high64 Ų6430.9 Ų30.945%0.44819%0.189SC..  trans-135.2142.9-175.6-58.10000110.1Y477 T480Y477-S482 WeakPolarHBondContact CA-O 3.49Å; T480-S482 PolarHBondContact O-N 3.05Å; T480-S482 VanDerWaalsContact O-N 3.09Å; T480-S482 PolarHBondContact O-OG 3.42Å; T480-S482 PolarHBondContact OG1-N 2.87Å; T480-S482 PolarHBondContact OG1-O 3.31Å; T480-S482 VanDerWaalsContact OG1-O 3.12Å
483C82.1Confident92.7Very high17 Ų1730.5 Ų30.512%0.11519%0.19CC..  trans-144.1146169.463.70000109.5L494 L506 I509C483-L494 HydrophobicContact CB-CD2 4.15Å; C483-L506 HydrophobicContact CB-CD1 4.29Å; C483-L506 WeakPolarHBondContact SG-CD1 3.47Å; C483-I509 VanDerWaalsContact SG-CG2 3.52Å
484C81.4Confident92.7Very high115 Ų11529.7 Ų29.778%0.77718%0.184SC*.  trans-126.686.5175.5-65.50000108.5A486C484-A486 PolarHBondContact O-N 3.18Å
485P88.9Confident92.7Very high8 Ų829.7 Ų29.75%0.05218%0.184CC..  trans-57.9138.1173.1-2132.8000110.5G487 A491 L494 F513P485-G487 PolarHBondContact O-N 3.24Å; P485-A491 HydrophobicContact CB-CB 3.77Å; P485-A491 HydrophobicContact CG-CB 3.97Å; P485-L494 HydrophobicContact CG-CD2 4.32Å; P485-F513 HydrophobicContact CB-CD1 4.18Å; P485-F513 HydrophobicContact CB-CE1 4.01Å; P485-F513 HydrophobicContact CB-CZ 4.19Å; P485-F513 HydrophobicContact CG-CD1 4.33Å; P485-F513 HydrophobicContact CG-CD2 4.45Å; P485-F513 HydrophobicContact CG-CG 4.26Å; P485-F513 WeakPolarHBondContact O-CE2 3.37Å; P485-F513 WeakPolarHBondContact O-CZ 2.99Å
486A88.3Confident92.6Very high91 Ų9131.6 Ų31.675%0.75219%0.194SC*.SBendtrans-69.2-19.3176.700000112.9C484C484-A486 PolarHBondContact O-N 3.18Å
487G91.7Very high92.7Very high23 Ų2329.2 Ų29.224%0.23718%0.183CC..SBendtrans-178.5179178.100000113.2P485 F489 Q490 A491P485-G487 PolarHBondContact O-N 3.24Å; G487-F489 VanDerWaalsContact C-N 3.31Å; G487-F489 PolarHBondContact O-N 3.5Å; G487-Q490 PolarHBondContact O-N 2.07Å; G487-A491 WeakPolarHBondContact O-CB 3.31Å; G487-A491 PolarHBondContact O-N 2.9Å
488I95.3Very high92.8Very high18 Ų1829 Ų299%0.09218%0.182CC..Hα-helixtrans-58.2-41.4-175.3-66.2168000111.8A491 M492 I514 Q517 L518 M521 L531 L536I488-A491 PolarHBondContact O-N 3.29Å; I488-M492 WeakPolarHBondContact O-CG 3.32Å; I488-M492 PolarHBondContact O-N 3.29Å; I488-I514 HydrophobicContact CG2-CG1 4.29Å; I488-I514 HydrophobicContact CG2-CG2 4.08Å; I488-Q517 HydrophobicContact CD1-CB 4.14Å; I488-Q517 HydrophobicContact CG1-CB 4.02Å; I488-L518 HydrophobicContact CD1-CD2 3.67Å; I488-L518 HydrophobicContact CD1-CG 3.87Å; I488-M521 HydrophobicContact CD1-CE 3.97Å; I488-L531 HydrophobicContact CB-CD2 4.46Å; I488-L531 HydrophobicContact CD1-CD2 3.88Å; I488-L531 HydrophobicContact CG2-CD1 4.33Å; I488-L531 HydrophobicContact CG2-CD2 3.87Å; I488-L536 HydrophobicContact CG2-CD1 4.2Å; I488-L536 HydrophobicContact CG2-CD2 4.26Å
489F94.4Very high92.7Very high146 Ų14630.9 Ų30.964%0.6419%0.191SC*.Hα-helixtrans-63.5-47.7-179.9-176.4-95.2000112.2G487 A491 M492 C493G487-F489 VanDerWaalsContact C-N 3.31Å; G487-F489 PolarHBondContact O-N 3.5Å; F489-A491 VanDerWaalsContact C-N 3.33Å; F489-A491 PolarHBondContact O-N 3.4Å; F489-M492 WeakPolarHBondContact O-CB 3.45Å; F489-M492 PolarHBondContact O-N 2.88Å; F489-C493 PolarHBondContact O-N 2.95Å; F489-C493 PolarHBondContact O-SG 2.97Å; F489-C493 VanDerWaalsContact O-SG 3.41Å
490Q94.9Very high92.7Very high23 Ų2335 Ų3511%0.10721%0.211CC..Hα-helixtrans-65.1-39.4176.7-172.3-176.329.800111.4E469 S473 G487 M492 C493 L494E469-Q490 PolarHBondContact OE1-NE2 2.69Å; S473-Q490 PolarHBondContact OG-NE2 3.33Å; G487-Q490 PolarHBondContact O-N 2.07Å; Q490-M492 VanDerWaalsContact C-N 3.27Å; Q490-M492 PolarHBondContact O-N 3.46Å; Q490-C493 PolarHBondContact O-N 3.5Å; Q490-L494 WeakPolarHBondContact O-CB 3.44Å; Q490-L494 PolarHBondContact O-N 3.39Å
491A96.1Very high93Very high0 Ų035.4 Ų35.40%021%0.212CC..Hα-helixtrans-59.7-39.3175.400000111.5P485 G487 I488 F489 L494 L495 C510 F513 I514P485-A491 HydrophobicContact CB-CB 3.77Å; P485-A491 HydrophobicContact CG-CB 3.97Å; G487-A491 WeakPolarHBondContact O-CB 3.31Å; G487-A491 PolarHBondContact O-N 2.9Å; I488-A491 PolarHBondContact O-N 3.29Å; F489-A491 VanDerWaalsContact C-N 3.33Å; F489-A491 PolarHBondContact O-N 3.4Å; A491-L494 PolarHBondContact O-N 3.47Å; A491-L495 WeakPolarHBondContact O-CB 3.49Å; A491-L495 PolarHBondContact O-N 3.36Å; A491-C510 WeakPolarHBondContact O-CB 3.45Å; A491-F513 HydrophobicContact CB-CD1 3.61Å; A491-F513 HydrophobicContact CB-CE1 4.15Å; A491-F513 HydrophobicContact CB-CG 4.48Å; A491-I514 HydrophobicContact CB-CD1 4Å; A491-I514 HydrophobicContact CB-CG1 3.66Å
492M96.7Very high93.2Very high7 Ų740.2 Ų40.23%0.03423%0.234CC..Hα-helixtrans-66.5-46.3173.3-76.5-58.4-6200113I488 F489 Q490 L494 L495 I496 I514 L536 K539 L548I488-M492 WeakPolarHBondContact O-CG 3.32Å; I488-M492 PolarHBondContact O-N 3.29Å; F489-M492 WeakPolarHBondContact O-CB 3.45Å; F489-M492 PolarHBondContact O-N 2.88Å; Q490-M492 VanDerWaalsContact C-N 3.27Å; Q490-M492 PolarHBondContact O-N 3.46Å; M492-L494 PolarHBondContact O-N 3.28Å; M492-L495 WeakPolarHBondContact O-CB 3.11Å; M492-L495 PolarHBondContact O-N 3.23Å; M492-L495 HydrophobicContact SD-CD1 4.47Å; M492-I496 VanDerWaalsContact O-CG1 3.25Å; M492-I496 WeakPolarHBondContact O-CG1 3.45Å; M492-I496 PolarHBondContact O-N 3.11Å; M492-I514 HydrophobicContact CG-CD1 3.75Å; M492-I514 HydrophobicContact SD-CD1 3.28Å; M492-I514 WeakPolarHBondContact SD-CD1 3.22Å; M492-L536 HydrophobicContact CE-CD1 3.94Å; M492-L536 HydrophobicContact CG-CD1 3.15Å; M492-L536 HydrophobicContact SD-CD1 3.38Å; M492-L536 WeakPolarHBondContact SD-CD1 3.4Å; M492-L536 HydrophobicContact SD-CG 4.44Å; M492-K539 HydrophobicContact CE-CB 3.62Å; M492-L548 HydrophobicContact SD-CD2 3.79Å
493C96.7Very high93.7Very high35 Ų3537.7 Ų37.724%0.23622%0.216CC..Hα-helixtrans-58.4-38.9175.5-66.20000111.4T470 F489 Q490 I496 C497T470-C493 HydrophobicContact CG2-CB 3.95Å; T470-C493 WeakPolarHBondContact CG2-O 3.34Å; F489-C493 PolarHBondContact O-N 2.95Å; F489-C493 PolarHBondContact O-SG 2.97Å; F489-C493 VanDerWaalsContact O-SG 3.41Å; Q490-C493 PolarHBondContact O-N 3.5Å; C493-I496 PolarHBondContact O-N 2.73Å; C493-C497 WeakPolarHBondContact O-CB 3.21Å; C493-C497 PolarHBondContact O-N 3.34Å
494L97.4Very high94.2Very high0 Ų039.6 Ų39.60%023%0.229CC..Hα-helixtrans-70.9-37.7177.9-173.158.2000112.4T470 F474 C483 P485 Q490 A491 M492 I496 C497 A498 L506T470-L494 HydrophobicContact CG2-CB 4.47Å; T470-L494 HydrophobicContact CG2-CD1 4.44Å; F474-L494 HydrophobicContact CB-CD1 3.86Å; C483-L494 HydrophobicContact CB-CD2 4.15Å; P485-L494 HydrophobicContact CG-CD2 4.32Å; Q490-L494 WeakPolarHBondContact O-CB 3.44Å; Q490-L494 PolarHBondContact O-N 3.39Å; A491-L494 PolarHBondContact O-N 3.47Å; M492-L494 PolarHBondContact O-N 3.28Å; L494-I496 VanDerWaalsContact C-N 3.34Å; L494-C497 WeakPolarHBondContact O-CB 3.46Å; L494-C497 PolarHBondContact O-N 3.07Å; L494-A498 VanDerWaalsContact O-CB 3.32Å; L494-A498 WeakPolarHBondContact O-CB 3.32Å; L494-A498 PolarHBondContact O-N 2.91Å; L494-L506 HydrophobicContact CD1-CD2 4.01Å; L494-L506 HydrophobicContact CD2-CD1 4.08Å; L494-L506 HydrophobicContact CG-CD1 4.26Å; L494-L506 HydrophobicContact CG-CD2 4.25Å; L494-L506 HydrophobicContact CG-CG 4.39Å
495L96.7Very high94.7Very high0 Ų036.2 Ų36.20%020%0.2CC..Hα-helixtrans-58.4-47.8171.8-175.4156.2000110.6A491 M492 C497 A498 E499 C510 E511 H543 L548A491-L495 WeakPolarHBondContact O-CB 3.49Å; A491-L495 PolarHBondContact O-N 3.36Å; M492-L495 WeakPolarHBondContact O-CB 3.11Å; M492-L495 PolarHBondContact O-N 3.23Å; M492-L495 HydrophobicContact SD-CD1 4.47Å; L495-C497 VanDerWaalsContact C-N 3.33Å; L495-C497 PolarHBondContact O-N 2.97Å; L495-A498 WeakPolarHBondContact O-CB 3.31Å; L495-A498 PolarHBondContact O-N 3.12Å; L495-A498 VanDerWaalsContact O-N 3.16Å; L495-E499 PolarHBondContact O-N 3.02Å; L495-C510 HydrophobicContact CB-CB 3.75Å; L495-C510 HydrophobicContact CD1-CB 4.26Å; L495-C510 HydrophobicContact CG-CB 4.37Å; L495-E511 HydrophobicContact CD1-CG 3.64Å; L495-H543 HydrophobicContact CD2-CB 4.33Å; L495-L548 HydrophobicContact CD1-CD2 4.01Å
496I96.3Very high95Very high39 Ų3935.8 Ų35.820%0.220%0.198CC..Hα-helixtrans-61.1-44177.6-65.4170.3000110.9M492 C493 L494 A498 E499 M500 H543M492-I496 VanDerWaalsContact O-CG1 3.25Å; M492-I496 WeakPolarHBondContact O-CG1 3.45Å; M492-I496 PolarHBondContact O-N 3.11Å; C493-I496 PolarHBondContact O-N 2.73Å; L494-I496 VanDerWaalsContact C-N 3.34Å; I496-A498 VanDerWaalsContact C-N 3.33Å; I496-A498 PolarHBondContact O-N 3.09Å; I496-E499 PolarHBondContact O-N 3.27Å; I496-M500 PolarHBondContact O-N 3.12Å; I496-H543 VanDerWaalsContact CG1-CD2 3.47Å; I496-H543 WeakPolarHBondContact CG1-CD2 3.38Å; I496-H543 WeakPolarHBondContact CG2-CE1 3.42Å
497C97.1Very high95.2Very high1 Ų132.7 Ų32.71%0.00717%0.168CC..Hα-helixtrans-61.6-42.3175.1-171.20000111.4T470 C493 L494 L495 E499 M500 Y501T470-C497 HydrophobicContact CG2-CB 3.85Å; C493-C497 WeakPolarHBondContact O-CB 3.21Å; C493-C497 PolarHBondContact O-N 3.34Å; L494-C497 WeakPolarHBondContact O-CB 3.46Å; L494-C497 PolarHBondContact O-N 3.07Å; L495-C497 VanDerWaalsContact C-N 3.33Å; L495-C497 PolarHBondContact O-N 2.97Å; C497-E499 VanDerWaalsContact C-N 3.31Å; C497-E499 PolarHBondContact O-N 3.37Å; C497-M500 PolarHBondContact O-N 2.7Å; C497-Y501 VanDerWaalsContact O-CD2 3.29Å; C497-Y501 WeakPolarHBondContact O-CD2 3.23Å; C497-Y501 PolarHBondContact O-N 2.86Å
498A96.3Very high95.2Very high0 Ų034.7 Ų34.70%017%0.171CC..Hα-helixtrans-67-30.817800000112.7L494 L495 I496 Q502 V503 L506 Q507L494-A498 VanDerWaalsContact O-CB 3.32Å; L494-A498 WeakPolarHBondContact O-CB 3.32Å; L494-A498 PolarHBondContact O-N 2.91Å; L495-A498 WeakPolarHBondContact O-CB 3.31Å; L495-A498 PolarHBondContact O-N 3.12Å; L495-A498 VanDerWaalsContact O-N 3.16Å; I496-A498 VanDerWaalsContact C-N 3.33Å; I496-A498 PolarHBondContact O-N 3.09Å; A498-Q502 CarbonylContact O-C 3.51Å; A498-Q502 PolarHBondContact O-N 3.2Å; A498-V503 HydrophobicContact CB-CB 4.49Å; A498-V503 PolarHBondContact O-N 3.19Å; A498-L506 HydrophobicContact CB-CB 3.88Å; A498-L506 HydrophobicContact CB-CD2 3.8Å; A498-L506 HydrophobicContact CB-CG 3.73Å; A498-Q507 HydrophobicContact CB-CG 3.57Å; A498-Q507 PolarHBondContact O-NE2 3.09Å
499E95.3Very high95Very high39 Ų3935.9 Ų35.918%0.18218%0.177CC..Hα-helixtrans-69.7-47.6171.5-170.3-89.3164.900111.9L495 I496 C497 Y501 Q502 Q507 H543 H544L495-E499 PolarHBondContact O-N 3.02Å; I496-E499 PolarHBondContact O-N 3.27Å; C497-E499 VanDerWaalsContact C-N 3.31Å; C497-E499 PolarHBondContact O-N 3.37Å; E499-Y501 PolarHBondContact O-N 3.14Å; E499-Q502 PolarHBondContact O-N 3.09Å; E499-Q502 PolarHBondContact O-NE2 3.03Å; E499-Q502 VanDerWaalsContact O-NE2 3.11Å; E499-Q507 VanDerWaalsContact CA-NE2 3.27Å; E499-H543 IonicContact OE2-ND1 3.88Å; E499-H544 IonicContact OE1-ND1 2.69Å; E499-H544 PolarHBondContact OE1-ND1 2.83Å
500M94.6Very high95Very high88 Ų8829 Ų2943%0.43315%0.146SC..Hα-helixtrans-55-39.7175.6-176.6-175.5-61.900112.8V466 I496 C497V466-M500 HydrophobicContact CG2-CE 4.13Å; V466-M500 HydrophobicContact CG2-SD 4.12Å; I496-M500 PolarHBondContact O-N 3.12Å; C497-M500 PolarHBondContact O-N 2.7Å
501Y95.9Very high95Very high16 Ų1628.1 Ų28.16%0.06314%0.142CC..THydrogen-bonded Turntrans-96.57.2179.7-71.9-73.8000114.2C442 V444 M445 F471 F474 C497 E499 V503C442-Y501 PolarHBondContact SG-O 2.66Å; C442-Y501 VanDerWaalsContact SG-O 3.37Å; V444-Y501 HydrophobicContact CB-CD1 4.28Å; V444-Y501 HydrophobicContact CG1-CD1 4Å; V444-Y501 WeakPolarHBondContact CG2-O 3.42Å; M445-Y501 HydrophobicContact CE-CD1 3.95Å; M445-Y501 HydrophobicContact CE-CE1 3.61Å; M445-Y501 HydrophobicContact CG-CD1 4.24Å; M445-Y501 HydrophobicContact CG-CE1 4.35Å; F471-Y501 HydrophobicContact CE2-CE2 4.2Å; F474-Y501 HydrophobicContact CD1-CD2 4.45Å; F474-Y501 AromaticContact CE1-CD2 3.96Å; F474-Y501 HydrophobicContact CE1-CD2 3.96Å; F474-Y501 HydrophobicContact CE1-CE2 4.48Å; F474-Y501 HydrophobicContact CE1-CG 4.02Å; F474-Y501 HydrophobicContact CE2-CD2 4.29Å; F474-Y501 HydrophobicContact CE2-CG 4.36Å; F474-Y501 VanDerWaalsContact CZ-CB 3.46Å; F474-Y501 AromaticContact CZ-CD2 3.89Å; F474-Y501 HydrophobicContact CZ-CD2 3.89Å; F474-Y501 AromaticContact CZ-CG 3.72Å; F474-Y501 HydrophobicContact CZ-CG 3.72Å; C497-Y501 VanDerWaalsContact O-CD2 3.29Å; C497-Y501 WeakPolarHBondContact O-CD2 3.23Å; C497-Y501 PolarHBondContact O-N 2.86Å; E499-Y501 PolarHBondContact O-N 3.14Å; Y501-V503 VanDerWaalsContact C-N 3.35Å; Y501-V503 PolarHBondContact O-N 2.88Å
502Q95.4Very high94.8Very high114 Ų11432 Ų3253%0.53316%0.163SC..THydrogen-bonded Turntrans55.941.4177.3-58.3-66.9-35.400114.5V444 A498 E499V444-Q502 HydrophobicContact CG2-CB 3.91Å; V444-Q502 HydrophobicContact CG2-CG 3.75Å; A498-Q502 CarbonylContact O-C 3.51Å; A498-Q502 PolarHBondContact O-N 3.2Å; E499-Q502 PolarHBondContact O-N 3.09Å; E499-Q502 PolarHBondContact O-NE2 3.03Å; E499-Q502 VanDerWaalsContact O-NE2 3.11Å
503V95.8Very high94.6Very high11 Ų1133.9 Ų33.97%0.06717%0.171CC..  trans-101.380.3176.4-172.80000109.7C442 F474 Y477 L478 A498 Y501 R505 L506 Q507C442-V503 HydrophobicContact CB-CG2 4.35Å; F474-V503 HydrophobicContact CE2-CB 4.22Å; F474-V503 HydrophobicContact CE2-CG2 3.65Å; F474-V503 HydrophobicContact CZ-CG2 3.82Å; Y477-V503 HydrophobicContact CD1-CG1 4.03Å; Y477-V503 HydrophobicContact CE1-CG1 3.46Å; Y477-V503 VanDerWaalsContact CE1-CG1 3.46Å; L478-V503 HydrophobicContact CD2-CG2 4.41Å; A498-V503 HydrophobicContact CB-CB 4.49Å; A498-V503 PolarHBondContact O-N 3.19Å; Y501-V503 VanDerWaalsContact C-N 3.35Å; Y501-V503 PolarHBondContact O-N 2.88Å; V503-R505 PolarHBondContact O-N 2.89Å; V503-L506 HydrophobicContact CB-CB 4.26Å; V503-L506 HydrophobicContact CG1-CB 3.7Å; V503-L506 PolarHBondContact O-N 2.82Å; V503-L506 VanDerWaalsContact O-N 3.14Å; V503-Q507 PolarHBondContact O-N 3.18Å
504S92.5Very high94.5Very high58 Ų5832.2 Ų32.241%0.40616%0.16SC..Hα-helixtrans-52.1-48.7-173.257.70000113.7E236 L506 Q507 H508E236-S504 PolarHBondContact OE1-OG 2.89Å; S504-L506 VanDerWaalsContact C-N 3.28Å; S504-L506 PolarHBondContact O-N 3.29Å; S504-Q507 WeakPolarHBondContact O-CA 3.39Å; S504-Q507 VanDerWaalsContact O-CB 3.31Å; S504-Q507 WeakPolarHBondContact O-CB 3.46Å; S504-Q507 PolarHBondContact O-N 3.19Å; S504-H508 PolarHBondContact O-N 2.7Å
505R92.8Very high94.3Very high43 Ų4332.5 Ų32.516%0.16216%0.161CC..Hα-helixtrans-59.4-37.9-178.9177.6174.7168.972.63.2112.6E236 A237 S238 Y477 D481 V503 H508 I509E236-R505 PolarHBondContact O-NH1 3.29Å; E236-R505 WeakPolarHBondContact OE2-CA 3.48Å; E236-R505 PolarHBondContact OE2-N 2.94Å; A237-R505 WeakPolarHBondContact O-CD 3.44Å; A237-R505 PolarHBondContact O-NH1 3.44Å; S238-R505 VanDerWaalsContact CA-CZ 3.41Å; Y477-R505 WeakPolarHBondContact OH-CD 3.34Å; Y477-R505 VanDerWaalsContact OH-CG 3.3Å; Y477-R505 WeakPolarHBondContact OH-CG 3.4Å; D481-R505 IonicContact OD1-NE 2.88Å; D481-R505 PolarHBondContact OD1-NE 3.43Å; D481-R505 IonicContact OD2-CZ 2.63Å; D481-R505 IonicContact OD2-NE 2.8Å; D481-R505 PolarHBondContact OD2-NE 3.22Å; D481-R505 IonicContact OD2-NH2 3.95Å; D481-R505 PolarHBondContact OD2-NH2 2.95Å; D481-R505 VanDerWaalsContact OD2-NH2 3.11Å; V503-R505 PolarHBondContact O-N 2.89Å; R505-H508 PolarHBondContact O-N 3.47Å; R505-I509 HydrophobicContact CG-CD1 4.13Å; R505-I509 VanDerWaalsContact O-CG1 3.27Å; R505-I509 WeakPolarHBondContact O-CG1 3.5Å; R505-I509 PolarHBondContact O-N 2.87Å
506L94.4Very high94Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-69.9-36.3177179.257.7000111.5F474 Y477 C483 L494 A498 V503 S504 I509 C510F474-L506 HydrophobicContact CD2-CD2 3.57Å; F474-L506 HydrophobicContact CE2-CD2 4.08Å; Y477-L506 HydrophobicContact CD1-CB 3.85Å; Y477-L506 HydrophobicContact CD1-CD1 4.23Å; Y477-L506 HydrophobicContact CD1-CD2 3.76Å; Y477-L506 HydrophobicContact CD1-CG 4.16Å; Y477-L506 HydrophobicContact CD2-CB 4.46Å; Y477-L506 HydrophobicContact CD2-CD1 3.81Å; Y477-L506 HydrophobicContact CE1-CB 3.81Å; Y477-L506 HydrophobicContact CE2-CB 4.44Å; Y477-L506 HydrophobicContact CE2-CD1 4.43Å; Y477-L506 HydrophobicContact CG-CB 4.19Å; Y477-L506 HydrophobicContact CG-CD1 3.71Å; Y477-L506 HydrophobicContact CG-CD2 3.91Å; Y477-L506 HydrophobicContact CG-CG 4.15Å; C483-L506 HydrophobicContact CB-CD1 4.29Å; C483-L506 WeakPolarHBondContact SG-CD1 3.47Å; L494-L506 HydrophobicContact CD1-CD2 4.01Å; L494-L506 HydrophobicContact CD2-CD1 4.08Å; L494-L506 HydrophobicContact CG-CD1 4.26Å; L494-L506 HydrophobicContact CG-CD2 4.25Å; L494-L506 HydrophobicContact CG-CG 4.39Å; A498-L506 HydrophobicContact CB-CB 3.88Å; A498-L506 HydrophobicContact CB-CD2 3.8Å; A498-L506 HydrophobicContact CB-CG 3.73Å; V503-L506 HydrophobicContact CB-CB 4.26Å; V503-L506 HydrophobicContact CG1-CB 3.7Å; V503-L506 PolarHBondContact O-N 2.82Å; V503-L506 VanDerWaalsContact O-N 3.14Å; S504-L506 VanDerWaalsContact C-N 3.28Å; S504-L506 PolarHBondContact O-N 3.29Å; L506-I509 PolarHBondContact O-N 3.22Å; L506-C510 PolarHBondContact O-N 3.23Å; L506-C510 PolarHBondContact O-SG 3.34Å
507Q93.4Very high93.7Very high26 Ų2637.4 Ų37.412%0.12119%0.188CC..Hα-helixtrans-57.8-52.4171.7-60.5173.638.100109.9A498 E499 V503 S504 I509 C510 E511A498-Q507 HydrophobicContact CB-CG 3.57Å; A498-Q507 PolarHBondContact O-NE2 3.09Å; E499-Q507 VanDerWaalsContact CA-NE2 3.27Å; V503-Q507 PolarHBondContact O-N 3.18Å; S504-Q507 WeakPolarHBondContact O-CA 3.39Å; S504-Q507 VanDerWaalsContact O-CB 3.31Å; S504-Q507 WeakPolarHBondContact O-CB 3.46Å; S504-Q507 PolarHBondContact O-N 3.19Å; Q507-I509 VanDerWaalsContact C-N 3.3Å; Q507-I509 PolarHBondContact O-N 3.49Å; Q507-C510 WeakPolarHBondContact O-CA 3.45Å; Q507-C510 WeakPolarHBondContact O-CB 3.4Å; Q507-C510 PolarHBondContact O-N 2.72Å; Q507-E511 WeakPolarHBondContact O-CG 3.19Å; Q507-E511 PolarHBondContact O-N 3.2Å
508H91.3Very high93.4Very high65 Ų6537.3 Ų37.330%0.30119%0.187SC..Hα-helixtrans-57.5-38.6177.7-68.3141000113.5E236 S504 R505 E511 L512E236-H508 IonicContact OE2-CE1 3.66Å; E236-H508 PolarHBondContact OE2-CE1 2.78Å; E236-H508 IonicContact OE2-CG 3.62Å; E236-H508 IonicContact OE2-ND1 3.53Å; E236-H508 PolarHBondContact OE2-ND1 3.24Å; S504-H508 PolarHBondContact O-N 2.7Å; R505-H508 PolarHBondContact O-N 3.47Å; H508-E511 IonicContact CD2-OE2 3.72Å; H508-E511 PolarHBondContact O-N 3.02Å; H508-L512 WeakPolarHBondContact O-CB 3.25Å; H508-L512 PolarHBondContact O-N 2.96Å
509I91.8Very high93Very high43 Ų4342 Ų4222%0.22121%0.209CC..Hα-helixtrans-63.4-43.1175.2-69.6164.5000110.8Y477 C483 R505 L506 Q507 L512 F513Y477-I509 HydrophobicContact CD2-CD1 4.28Å; Y477-I509 HydrophobicContact CE2-CD1 3.65Å; C483-I509 VanDerWaalsContact SG-CG2 3.52Å; R505-I509 HydrophobicContact CG-CD1 4.13Å; R505-I509 VanDerWaalsContact O-CG1 3.27Å; R505-I509 WeakPolarHBondContact O-CG1 3.5Å; R505-I509 PolarHBondContact O-N 2.87Å; L506-I509 PolarHBondContact O-N 3.22Å; Q507-I509 VanDerWaalsContact C-N 3.3Å; Q507-I509 PolarHBondContact O-N 3.49Å; I509-L512 PolarHBondContact O-N 3.03Å; I509-F513 WeakPolarHBondContact O-CB 3.4Å; I509-F513 PolarHBondContact O-N 2.87Å
510C94.6Very high92.6Very high0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-66.1-43.2178-64.50000111.8A491 L495 L506 Q507 L512 F513 I514A491-C510 WeakPolarHBondContact O-CB 3.45Å; L495-C510 HydrophobicContact CB-CB 3.75Å; L495-C510 HydrophobicContact CD1-CB 4.26Å; L495-C510 HydrophobicContact CG-CB 4.37Å; L506-C510 PolarHBondContact O-N 3.23Å; L506-C510 PolarHBondContact O-SG 3.34Å; Q507-C510 WeakPolarHBondContact O-CA 3.45Å; Q507-C510 WeakPolarHBondContact O-CB 3.4Å; Q507-C510 PolarHBondContact O-N 2.72Å; C510-L512 PolarHBondContact O-N 2.74Å; C510-F513 WeakPolarHBondContact O-CB 3.38Å; C510-F513 PolarHBondContact O-N 3.4Å; C510-I514 WeakPolarHBondContact O-CD1 3.45Å; C510-I514 VanDerWaalsContact O-CG1 3.28Å; C510-I514 WeakPolarHBondContact O-CG1 3.43Å; C510-I514 PolarHBondContact O-N 3.19Å
511E93.7Very high92.1Very high5 Ų541.3 Ų41.32%0.02322%0.215CC..Hα-helixtrans-56.8-49.8174.1-65.4179.417200111.3L233 L495 Q507 H508 F513 I514 I515 S545 C547 L548L233-E511 HydrophobicContact CD1-CB 4.32Å; L495-E511 HydrophobicContact CD1-CG 3.64Å; Q507-E511 WeakPolarHBondContact O-CG 3.19Å; Q507-E511 PolarHBondContact O-N 3.2Å; H508-E511 IonicContact CD2-OE2 3.72Å; H508-E511 PolarHBondContact O-N 3.02Å; E511-F513 VanDerWaalsContact C-N 3.3Å; E511-F513 PolarHBondContact O-N 3.24Å; E511-I514 PolarHBondContact O-N 3.33Å; E511-I515 WeakPolarHBondContact O-CB 3.16Å; E511-I515 VanDerWaalsContact O-CG1 3.31Å; E511-I515 WeakPolarHBondContact O-CG1 3.5Å; E511-I515 PolarHBondContact O-N 3.26Å; E511-S545 VanDerWaalsContact CD-OG 3.25Å; E511-S545 WeakPolarHBondContact CG-OG 3.46Å; E511-S545 WeakPolarHBondContact OE1-CB 3.23Å; E511-S545 PolarHBondContact OE1-OG 2.87Å; E511-C547 VanDerWaalsContact OE2-CB 3.31Å; E511-C547 WeakPolarHBondContact OE2-CB 3.43Å; E511-L548 HydrophobicContact CB-CB 4.39Å; E511-L548 HydrophobicContact CG-CB 3.98Å; E511-L548 HydrophobicContact CG-CD2 4.49Å
512L91.5Very high91.5Very high82 Ų8244.3 Ų44.343%0.42924%0.236SC..Hα-helixtrans-61-40.5179.1-178.762.3000111.7L233 H508 I509 C510 T516L233-L512 HydrophobicContact CD1-CB 3.98Å; L233-L512 HydrophobicContact CD1-CD1 3.95Å; H508-L512 WeakPolarHBondContact O-CB 3.25Å; H508-L512 PolarHBondContact O-N 2.96Å; I509-L512 PolarHBondContact O-N 3.03Å; C510-L512 PolarHBondContact O-N 2.74Å; L512-T516 VanDerWaalsContact O-CB 3.27Å; L512-T516 WeakPolarHBondContact O-CB 3.32Å; L512-T516 PolarHBondContact O-N 3.46Å; L512-T516 PolarHBondContact O-OG1 3.33Å
513F92.6Very high90.8Very high46 Ų4642.5 Ų42.520%0.20224%0.236CC..Hα-helixtrans-61.2-50.2176.6-179.4-87.4000111.3P485 A491 I509 C510 E511 I515 T516 Q517P485-F513 HydrophobicContact CB-CD1 4.18Å; P485-F513 HydrophobicContact CB-CE1 4.01Å; P485-F513 HydrophobicContact CB-CZ 4.19Å; P485-F513 HydrophobicContact CG-CD1 4.33Å; P485-F513 HydrophobicContact CG-CD2 4.45Å; P485-F513 HydrophobicContact CG-CG 4.26Å; P485-F513 WeakPolarHBondContact O-CE2 3.37Å; P485-F513 WeakPolarHBondContact O-CZ 2.99Å; A491-F513 HydrophobicContact CB-CD1 3.61Å; A491-F513 HydrophobicContact CB-CE1 4.15Å; A491-F513 HydrophobicContact CB-CG 4.48Å; I509-F513 WeakPolarHBondContact O-CB 3.4Å; I509-F513 PolarHBondContact O-N 2.87Å; C510-F513 WeakPolarHBondContact O-CB 3.38Å; C510-F513 PolarHBondContact O-N 3.4Å; E511-F513 VanDerWaalsContact C-N 3.3Å; E511-F513 PolarHBondContact O-N 3.24Å; F513-I515 VanDerWaalsContact C-N 3.35Å; F513-I515 PolarHBondContact O-N 3.17Å; F513-T516 PolarHBondContact O-N 2.82Å; F513-Q517 HydrophobicContact CD1-CG 4.07Å; F513-Q517 HydrophobicContact CE1-CG 3.66Å; F513-Q517 HydrophobicContact CE2-CG 4.39Å; F513-Q517 HydrophobicContact CZ-CG 3.84Å; F513-Q517 WeakPolarHBondContact O-CB 3.32Å; F513-Q517 VanDerWaalsContact O-CG 3.3Å; F513-Q517 WeakPolarHBondContact O-CG 3.36Å; F513-Q517 PolarHBondContact O-N 3.28Å
514I94.6Very high90.1Very high0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-60.3-46.7-179.9-66.6160.1000110.7I488 A491 M492 C510 E511 Q517 L518 L536 L548I488-I514 HydrophobicContact CG2-CG1 4.29Å; I488-I514 HydrophobicContact CG2-CG2 4.08Å; A491-I514 HydrophobicContact CB-CD1 4Å; A491-I514 HydrophobicContact CB-CG1 3.66Å; M492-I514 HydrophobicContact CG-CD1 3.75Å; M492-I514 HydrophobicContact SD-CD1 3.28Å; M492-I514 WeakPolarHBondContact SD-CD1 3.22Å; C510-I514 WeakPolarHBondContact O-CD1 3.45Å; C510-I514 VanDerWaalsContact O-CG1 3.28Å; C510-I514 WeakPolarHBondContact O-CG1 3.43Å; C510-I514 PolarHBondContact O-N 3.19Å; E511-I514 PolarHBondContact O-N 3.33Å; I514-Q517 PolarHBondContact O-N 2.73Å; I514-L518 HydrophobicContact CG2-CD1 3.83Å; I514-L518 HydrophobicContact CG2-CG 4.47Å; I514-L518 WeakPolarHBondContact O-CB 3.46Å; I514-L518 WeakPolarHBondContact O-CG 3.29Å; I514-L518 PolarHBondContact O-N 2.83Å; I514-L536 HydrophobicContact CG2-CD2 4.07Å; I514-L548 HydrophobicContact CB-CD1 4.31Å; I514-L548 HydrophobicContact CD1-CD2 3.88Å; I514-L548 HydrophobicContact CG2-CD1 3.94Å
515I93Very high89.8Confident6 Ų654.4 Ų54.43%0.03128%0.275CS..Hα-helixtrans-60.4-48.2178.6-74.8168.1000110.6L233 E511 F513 Q517 L518 Q519 L548 W551L233-I515 HydrophobicContact CD1-CD1 3.34Å; L233-I515 HydrophobicContact CD1-CG1 4.43Å; L233-I515 HydrophobicContact CG-CD1 4.03Å; E511-I515 WeakPolarHBondContact O-CB 3.16Å; E511-I515 VanDerWaalsContact O-CG1 3.31Å; E511-I515 WeakPolarHBondContact O-CG1 3.5Å; E511-I515 PolarHBondContact O-N 3.26Å; F513-I515 VanDerWaalsContact C-N 3.35Å; F513-I515 PolarHBondContact O-N 3.17Å; I515-Q517 VanDerWaalsContact C-N 3.35Å; I515-Q517 PolarHBondContact O-N 3.5Å; I515-L518 PolarHBondContact O-N 3.5Å; I515-Q519 HydrophobicContact CG2-CG 4.18Å; I515-Q519 VanDerWaalsContact O-CB 3.26Å; I515-Q519 WeakPolarHBondContact O-CB 3.41Å; I515-Q519 WeakPolarHBondContact O-CG 3.17Å; I515-Q519 PolarHBondContact O-N 2.77Å; I515-L548 HydrophobicContact CD1-CD1 3.95Å; I515-L548 HydrophobicContact CG1-CD1 3.73Å; I515-W551 HydrophobicContact CB-CD2 4.33Å; I515-W551 HydrophobicContact CB-CE3 4.48Å; I515-W551 HydrophobicContact CD1-CB 3.89Å; I515-W551 HydrophobicContact CD1-CD2 3.92Å; I515-W551 HydrophobicContact CD1-CE3 4.32Å; I515-W551 HydrophobicContact CD1-CG 3.65Å; I515-W551 HydrophobicContact CG1-CB 4.43Å; I515-W551 HydrophobicContact CG1-CD2 3.55Å; I515-W551 HydrophobicContact CG1-CE3 3.61Å; I515-W551 HydrophobicContact CG1-CG 3.87Å; I515-W551 HydrophobicContact CG1-CZ3 4.14Å; I515-W551 HydrophobicContact CG2-CD2 4.03Å; I515-W551 HydrophobicContact CG2-CG 4.46Å; I515-W551 HydrophobicContact CG2-CH2 4.41Å; I515-W551 HydrophobicContact CG2-CZ2 3.94Å
516T90.3Very high89.5Confident68 Ų6852.5 Ų52.542%0.41727%0.268SS..Hα-helixtrans-62.7-43.1-178.9-570000111.2L512 F513 S520L512-T516 VanDerWaalsContact O-CB 3.27Å; L512-T516 WeakPolarHBondContact O-CB 3.32Å; L512-T516 PolarHBondContact O-N 3.46Å; L512-T516 PolarHBondContact O-OG1 3.33Å; F513-T516 PolarHBondContact O-N 2.82Å; T516-S520 WeakPolarHBondContact O-CB 3.4Å; T516-S520 PolarHBondContact O-N 3.41Å; T516-S520 PolarHBondContact O-OG 2.96Å
517Q90.1Very high89.1Confident74 Ų7454.9 Ų54.935%0.34629%0.288SS..Hα-helixtrans-60.5-53.7176.6-72.2-66.9-47.500110.8I488 F513 I514 I515 Q519 S520 M521I488-Q517 HydrophobicContact CD1-CB 4.14Å; I488-Q517 HydrophobicContact CG1-CB 4.02Å; F513-Q517 HydrophobicContact CD1-CG 4.07Å; F513-Q517 HydrophobicContact CE1-CG 3.66Å; F513-Q517 HydrophobicContact CE2-CG 4.39Å; F513-Q517 HydrophobicContact CZ-CG 3.84Å; F513-Q517 WeakPolarHBondContact O-CB 3.32Å; F513-Q517 VanDerWaalsContact O-CG 3.3Å; F513-Q517 WeakPolarHBondContact O-CG 3.36Å; F513-Q517 PolarHBondContact O-N 3.28Å; I514-Q517 PolarHBondContact O-N 2.73Å; I515-Q517 VanDerWaalsContact C-N 3.35Å; I515-Q517 PolarHBondContact O-N 3.5Å; Q517-Q519 PolarHBondContact O-N 3.13Å; Q517-S520 PolarHBondContact O-N 3.34Å; Q517-S520 PolarHBondContact O-OG 3.13Å; Q517-M521 WeakPolarHBondContact O-CG 3.28Å; Q517-M521 PolarHBondContact O-N 3.43Å
518L92.1Very high88.8Confident0 Ų057.5 Ų57.50%031%0.309CS..Hα-helixtrans-61.9-39.7-179.7-71.2173000113I488 I514 I515 S520 M521 M529 L531 I533 L536 W551 L552 F555I488-L518 HydrophobicContact CD1-CD2 3.67Å; I488-L518 HydrophobicContact CD1-CG 3.87Å; I514-L518 HydrophobicContact CG2-CD1 3.83Å; I514-L518 HydrophobicContact CG2-CG 4.47Å; I514-L518 WeakPolarHBondContact O-CB 3.46Å; I514-L518 WeakPolarHBondContact O-CG 3.29Å; I514-L518 PolarHBondContact O-N 2.83Å; I515-L518 PolarHBondContact O-N 3.5Å; L518-S520 VanDerWaalsContact C-N 3.32Å; L518-S520 PolarHBondContact O-N 2.78Å; L518-M521 HydrophobicContact CD2-SD 4.27Å; L518-M521 PolarHBondContact O-N 3.17Å; L518-M529 HydrophobicContact CD2-CE 4.4Å; L518-M529 HydrophobicContact CD2-SD 4.1Å; L518-L531 HydrophobicContact CD2-CD2 4.13Å; L518-I533 HydrophobicContact CD1-CD1 3.95Å; L518-I533 HydrophobicContact CD2-CD1 4.26Å; L518-L536 HydrophobicContact CD1-CD2 4.03Å; L518-W551 HydrophobicContact CB-CH2 3.99Å; L518-W551 HydrophobicContact CB-CZ3 4.11Å; L518-W551 HydrophobicContact CD1-CZ3 3.93Å; L518-L552 HydrophobicContact CD1-CD2 3.73Å; L518-F555 HydrophobicContact CB-CE1 4.09Å; L518-F555 HydrophobicContact CB-CZ 4Å; L518-F555 HydrophobicContact CD2-CE1 4.33Å; L518-F555 WeakPolarHBondContact O-CZ 3.28Å
519Q88.1Confident88.5Confident97 Ų9755.5 Ų55.545%0.45330%0.3SS..Hα-helixtrans-66.6-32.7177.6-77.5179.4-14.600113.3I515 Q517 M521 W551I515-Q519 HydrophobicContact CG2-CG 4.18Å; I515-Q519 VanDerWaalsContact O-CB 3.26Å; I515-Q519 WeakPolarHBondContact O-CB 3.41Å; I515-Q519 WeakPolarHBondContact O-CG 3.17Å; I515-Q519 PolarHBondContact O-N 2.77Å; Q517-Q519 PolarHBondContact O-N 3.13Å; Q519-M521 VanDerWaalsContact C-N 3.32Å; Q519-W551 HydrophobicContact CG-CH2 3.7Å; Q519-W551 HydrophobicContact CG-CZ2 3.21Å; Q519-W551 VanDerWaalsContact NE2-CE2 3.34Å
520S86.9Confident88.2Confident83 Ų8361.7 Ų61.758%0.5833%0.334SS*.Hα-helixtrans-78.7-16-178.3700000113.6T516 Q517 L518T516-S520 WeakPolarHBondContact O-CB 3.4Å; T516-S520 PolarHBondContact O-N 3.41Å; T516-S520 PolarHBondContact O-OG 2.96Å; Q517-S520 PolarHBondContact O-N 3.34Å; Q517-S520 PolarHBondContact O-OG 3.13Å; L518-S520 VanDerWaalsContact C-N 3.32Å; L518-S520 PolarHBondContact O-N 2.78Å
521M84.1Confident88Confident31 Ų3163.7 Ų63.715%0.15334%0.344CS..SBendtrans-72.6129.2-177.9-72.4173-177.500111.7I488 Q517 L518 Q519 L526 M529I488-M521 HydrophobicContact CD1-CE 3.97Å; Q517-M521 WeakPolarHBondContact O-CG 3.28Å; Q517-M521 PolarHBondContact O-N 3.43Å; L518-M521 HydrophobicContact CD2-SD 4.27Å; L518-M521 PolarHBondContact O-N 3.17Å; Q519-M521 VanDerWaalsContact C-N 3.32Å; M521-L526 HydrophobicContact CB-CD2 3.74Å; M521-L526 HydrophobicContact CB-CG 3.84Å; M521-L526 HydrophobicContact CG-CD2 4.46Å; M521-L526 HydrophobicContact SD-CD2 3.9Å; M521-M529 HydrophobicContact SD-SD 3.93Å
522P83.1Confident88Confident78 Ų7866.2 Ų66.251%0.50636%0.358SS..  trans-68.4155.4171.729.8-34.4000111.4R524 E525 L526P522-R524 PolarHBondContact O-N 3.44Å; P522-E525 WeakPolarHBondContact CD-OE2 3.25Å; P522-E525 HydrophobicContact CG-CB 3.91Å; P522-E525 WeakPolarHBondContact O-CB 3.49Å; P522-E525 PolarHBondContact O-N 3.25Å; P522-L526 PolarHBondContact O-N 3.36Å; P522-L526 VanDerWaalsContact O-N 3.07Å
523S80.8Confident88.2Confident77 Ų7762.4 Ų62.454%0.53834%0.338SS..Hα-helixtrans-54.6-33.3-176.5-530000114.6A527S523-A527 WeakPolarHBondContact O-CB 3.34Å; S523-A527 PolarHBondContact O-N 2.75Å; S523-A527 VanDerWaalsContact O-N 3.08Å
524R81.4Confident88.4Confident222 Ų22260.3 Ų60.384%0.83833%0.329SS*.Hα-helixtrans-65.2-42.8176.8-177179179.8-176.7-0.8111.6P522 A527 S528P522-R524 PolarHBondContact O-N 3.44Å; R524-A527 PolarHBondContact O-N 3.27Å; R524-S528 PolarHBondContact O-N 3.1Å; R524-S528 VanDerWaalsContact O-N 3.17Å; R524-S528 PolarHBondContact O-OG 2.86Å; R524-S528 VanDerWaalsContact O-OG 3.09Å
525E85.1Confident88.4Confident96 Ų9663.3 Ų63.345%0.44934%0.344SS..Hα-helixtrans-68.8-43.7179.5-172.6175.2175.500110.6P522 A527 S528 M529P522-E525 WeakPolarHBondContact CD-OE2 3.25Å; P522-E525 HydrophobicContact CG-CB 3.91Å; P522-E525 WeakPolarHBondContact O-CB 3.49Å; P522-E525 PolarHBondContact O-N 3.25Å; E525-A527 VanDerWaalsContact C-N 3.28Å; E525-A527 PolarHBondContact O-N 3.17Å; E525-S528 CarbonylContact O-C 3.57Å; E525-S528 PolarHBondContact O-N 2.82Å; E525-S528 VanDerWaalsContact O-N 3.11Å; E525-S528 PolarHBondContact O-OG 2.81Å; E525-S528 VanDerWaalsContact O-OG 3.11Å; E525-M529 WeakPolarHBondContact O-CB 3.43Å; E525-M529 PolarHBondContact O-N 2.98Å
526L86.6Confident88.6Confident3 Ų363.2 Ų63.22%0.01634%0.344CS..Hα-helixtrans-56.1-41.4174-70.6174.1000112.3M521 P522 M529 F555 I562M521-L526 HydrophobicContact CB-CD2 3.74Å; M521-L526 HydrophobicContact CB-CG 3.84Å; M521-L526 HydrophobicContact CG-CD2 4.46Å; M521-L526 HydrophobicContact SD-CD2 3.9Å; P522-L526 PolarHBondContact O-N 3.36Å; P522-L526 VanDerWaalsContact O-N 3.07Å; L526-M529 WeakPolarHBondContact O-CB 3.21Å; L526-M529 PolarHBondContact O-N 3.1Å; L526-F555 HydrophobicContact CD1-CZ 3.89Å; L526-F555 HydrophobicContact CD2-CE1 4.19Å; L526-F555 HydrophobicContact CD2-CZ 3.8Å; L526-I562 HydrophobicContact CB-CD1 4.2Å
527A86Confident88.9Confident50 Ų5060 Ų6041%0.41332%0.324SS..Hα-helixtrans-67.5-37177.900000112.8S523 R524 E525 I562 K566S523-A527 WeakPolarHBondContact O-CB 3.34Å; S523-A527 PolarHBondContact O-N 2.75Å; S523-A527 VanDerWaalsContact O-N 3.08Å; R524-A527 PolarHBondContact O-N 3.27Å; E525-A527 VanDerWaalsContact C-N 3.28Å; E525-A527 PolarHBondContact O-N 3.17Å; A527-I562 HydrophobicContact CB-CG2 3.96Å; A527-K566 WeakPolarHBondContact O-CE 3.32Å; A527-K566 PolarHBondContact O-NZ 2.75Å
528S86.7Confident89.2Confident81 Ų8160.6 Ų60.657%0.56633%0.326SS*.Hα-helixtrans-87.9-1.9176.857.20000114.4R524 E525 N530R524-S528 PolarHBondContact O-N 3.1Å; R524-S528 VanDerWaalsContact O-N 3.17Å; R524-S528 PolarHBondContact O-OG 2.86Å; R524-S528 VanDerWaalsContact O-OG 3.09Å; E525-S528 CarbonylContact O-C 3.57Å; E525-S528 PolarHBondContact O-N 2.82Å; E525-S528 VanDerWaalsContact O-N 3.11Å; E525-S528 PolarHBondContact O-OG 2.81Å; E525-S528 VanDerWaalsContact O-OG 3.11Å; S528-N530 PolarHBondContact O-N 2.76Å
529M85.8Confident89.3Confident24 Ų2463.8 Ų63.812%0.11834%0.34CS..  trans-65133.9-177.6-168.9-176.560.500110.1L518 M521 E525 L526 L531 F563 K566L518-M529 HydrophobicContact CD2-CE 4.4Å; L518-M529 HydrophobicContact CD2-SD 4.1Å; M521-M529 HydrophobicContact SD-SD 3.93Å; E525-M529 WeakPolarHBondContact O-CB 3.43Å; E525-M529 PolarHBondContact O-N 2.98Å; L526-M529 WeakPolarHBondContact O-CB 3.21Å; L526-M529 PolarHBondContact O-N 3.1Å; M529-L531 VanDerWaalsContact C-N 3.29Å; M529-L531 HydrophobicContact CE-CB 3.68Å; M529-L531 HydrophobicContact CE-CD2 3.84Å; M529-L531 HydrophobicContact CE-CG 4.09Å; M529-L531 HydrophobicContact CG-CB 3.73Å; M529-L531 HydrophobicContact SD-CB 3.67Å; M529-L531 HydrophobicContact SD-CD2 3.73Å; M529-L531 HydrophobicContact SD-CG 4.29Å; M529-F563 HydrophobicContact CE-CE1 4.48Å; M529-K566 PolarHBondContact O-NZ 2.87Å
530N86.1Confident89.7Confident173 Ų17359.2 Ų59.293%0.92532%0.318SS*.  trans-90.316.7176.5-71.6-21.8000113.2S528S528-N530 PolarHBondContact O-N 2.76Å
531L89.6Confident90.1Very high41 Ų4159.2 Ų59.222%0.21531%0.308CS..  trans-95.7125.8178.7170.674.9000108.9I488 L518 M529 I533 L536I488-L531 HydrophobicContact CB-CD2 4.46Å; I488-L531 HydrophobicContact CD1-CD2 3.88Å; I488-L531 HydrophobicContact CG2-CD1 4.33Å; I488-L531 HydrophobicContact CG2-CD2 3.87Å; L518-L531 HydrophobicContact CD2-CD2 4.13Å; M529-L531 VanDerWaalsContact C-N 3.29Å; M529-L531 HydrophobicContact CE-CB 3.68Å; M529-L531 HydrophobicContact CE-CD2 3.84Å; M529-L531 HydrophobicContact CE-CG 4.09Å; M529-L531 HydrophobicContact CG-CB 3.73Å; M529-L531 HydrophobicContact SD-CB 3.67Å; M529-L531 HydrophobicContact SD-CD2 3.73Å; M529-L531 HydrophobicContact SD-CG 4.29Å; L531-I533 PolarHBondContact O-N 3.26Å; L531-L536 HydrophobicContact CD2-CD2 4.3Å
532D94.4Very high90.6Very high59 Ų5965.1 Ų65.132%0.31633%0.333SS..  trans-74.6103.4171-175.7-21.2000109.5V534 D535 L536 E568D532-V534 VanDerWaalsContact C-N 3.25Å; D532-V534 PolarHBondContact O-N 3.18Å; D532-V534 WeakPolarHBondContact OD1-CA 3.32Å; D532-V534 PolarHBondContact OD1-N 2.97Å; D532-D535 HydrophobicContact CB-CB 3.88Å; D532-D535 VanDerWaalsContact CG-CB 3.48Å; D532-D535 PolarHBondContact OD1-N 3.3Å; D532-L536 WeakPolarHBondContact O-CB 3.2Å; D532-L536 PolarHBondContact O-N 3.27Å; D532-L536 VanDerWaalsContact O-N 3.09Å; D532-E568 WeakPolarHBondContact OD1-CB 3.17Å; D532-E568 WeakPolarHBondContact OD1-CG 3.36Å
533I95.1Very high91Very high2 Ų262.9 Ų62.91%0.0132%0.316CS..Hα-helixtrans-69.9-24.6-178.9-160.171.1000112.2L518 L531 L536 L537 L552 F555 I556 F563L518-I533 HydrophobicContact CD1-CD1 3.95Å; L518-I533 HydrophobicContact CD2-CD1 4.26Å; L531-I533 PolarHBondContact O-N 3.26Å; I533-L536 HydrophobicContact CD1-CD2 3.95Å; I533-L536 WeakPolarHBondContact O-CB 3.22Å; I533-L537 WeakPolarHBondContact O-CB 3.37Å; I533-L537 PolarHBondContact O-N 2.83Å; I533-L552 HydrophobicContact CD1-CD2 3.73Å; I533-L552 HydrophobicContact CG1-CD2 4.3Å; I533-F555 HydrophobicContact CD1-CD1 4.41Å; I533-F555 HydrophobicContact CD1-CE1 4.49Å; I533-I556 HydrophobicContact CG1-CD1 4.2Å; I533-I556 HydrophobicContact CG1-CG1 4.01Å; I533-I556 HydrophobicContact CG2-CD1 4.03Å; I533-I556 HydrophobicContact CG2-CG1 4.05Å; I533-F563 HydrophobicContact CB-CD1 4.35Å; I533-F563 HydrophobicContact CB-CE1 3.93Å; I533-F563 HydrophobicContact CG1-CE1 4.18Å; I533-F563 HydrophobicContact CG1-CZ 4.27Å; I533-F563 HydrophobicContact CG2-CD1 3.61Å; I533-F563 HydrophobicContact CG2-CE1 3.71Å; I533-F563 HydrophobicContact CG2-CG 4.35Å; I533-F563 HydrophobicContact CG2-CZ 4.5Å
534V95.7Very high91.5Very high2 Ų265.5 Ų65.51%0.01232%0.319CS..Hα-helixtrans-81.3-39.7-178.7178.50000109.9D532 L536 L537 K538 E568 D571 L572D532-V534 VanDerWaalsContact C-N 3.25Å; D532-V534 PolarHBondContact O-N 3.18Å; D532-V534 WeakPolarHBondContact OD1-CA 3.32Å; D532-V534 PolarHBondContact OD1-N 2.97Å; V534-L536 VanDerWaalsContact C-N 3.31Å; V534-L537 WeakPolarHBondContact O-CB 3.4Å; V534-L537 PolarHBondContact O-N 3.28Å; V534-K538 HydrophobicContact CG1-CD 4.39Å; V534-K538 VanDerWaalsContact O-CG 3.3Å; V534-K538 WeakPolarHBondContact O-CG 3.37Å; V534-K538 PolarHBondContact O-N 3.41Å; V534-E568 HydrophobicContact CB-CB 4.32Å; V534-E568 HydrophobicContact CG2-CB 4.35Å; V534-E568 HydrophobicContact CG2-CG 4.21Å; V534-E568 WeakPolarHBondContact CG2-O 3.37Å; V534-D571 HydrophobicContact CG1-CB 4.15Å; V534-L572 HydrophobicContact CG1-CD2 3.95Å; V534-L572 HydrophobicContact CG1-CG 4.24Å; V534-L572 HydrophobicContact CG2-CD2 4.01Å; V534-L572 HydrophobicContact CG2-CG 4.08Å
535D95.4Very high92Very high62 Ų6254.9 Ų54.933%0.33228%0.279SS..Hα-helixtrans-60.5-41.7167.8-179.961.4000111.3D532 L537 K538 K539D532-D535 HydrophobicContact CB-CB 3.88Å; D532-D535 VanDerWaalsContact CG-CB 3.48Å; D532-D535 PolarHBondContact OD1-N 3.3Å; D535-L537 VanDerWaalsContact C-N 3.35Å; D535-L537 PolarHBondContact O-N 2.87Å; D535-K538 PolarHBondContact O-N 3.35Å; D535-K539 WeakPolarHBondContact O-CB 3.42Å; D535-K539 WeakPolarHBondContact O-CG 3.25Å; D535-K539 PolarHBondContact O-N 3.16Å; D535-K539 IonicContact OD1-NZ 3.51Å; D535-K539 WeakPolarHBondContact OD2-CE 3.5Å; D535-K539 IonicContact OD2-NZ 2.78Å; D535-K539 PolarHBondContact OD2-NZ 3.49Å
536L96.4Very high92.3Very high5 Ų555.9 Ų55.93%0.02629%0.287CS..Hα-helixtrans-58.2-46.2174.4-173.169.3000112I488 M492 I514 L518 L531 D532 I533 V534 K539 A540 L552I488-L536 HydrophobicContact CG2-CD1 4.2Å; I488-L536 HydrophobicContact CG2-CD2 4.26Å; M492-L536 HydrophobicContact CE-CD1 3.94Å; M492-L536 HydrophobicContact CG-CD1 3.15Å; M492-L536 HydrophobicContact SD-CD1 3.38Å; M492-L536 WeakPolarHBondContact SD-CD1 3.4Å; M492-L536 HydrophobicContact SD-CG 4.44Å; I514-L536 HydrophobicContact CG2-CD2 4.07Å; L518-L536 HydrophobicContact CD1-CD2 4.03Å; L531-L536 HydrophobicContact CD2-CD2 4.3Å; D532-L536 WeakPolarHBondContact O-CB 3.2Å; D532-L536 PolarHBondContact O-N 3.27Å; D532-L536 VanDerWaalsContact O-N 3.09Å; I533-L536 HydrophobicContact CD1-CD2 3.95Å; I533-L536 WeakPolarHBondContact O-CB 3.22Å; V534-L536 VanDerWaalsContact C-N 3.31Å; L536-K539 PolarHBondContact O-N 2.86Å; L536-A540 WeakPolarHBondContact O-CB 2.77Å; L536-A540 PolarHBondContact O-N 3.36Å; L536-L552 HydrophobicContact CB-CD1 4.44Å; L536-L552 HydrophobicContact CD2-CD1 4Å; L536-L552 HydrophobicContact CD2-CD2 3.78Å; L536-L552 HydrophobicContact CG-CD1 3.84Å
537L97.1Very high92.5Very high0 Ų058.7 Ų58.70%031%0.307CS..Hα-helixtrans-61-45.4175.6170.464.3000111.8I533 V534 D535 K539 A540 K541 S549 L552 L553 I556 L572I533-L537 WeakPolarHBondContact O-CB 3.37Å; I533-L537 PolarHBondContact O-N 2.83Å; V534-L537 WeakPolarHBondContact O-CB 3.4Å; V534-L537 PolarHBondContact O-N 3.28Å; D535-L537 VanDerWaalsContact C-N 3.35Å; D535-L537 PolarHBondContact O-N 2.87Å; L537-K539 PolarHBondContact O-N 2.77Å; L537-A540 PolarHBondContact O-N 3.23Å; L537-K541 HydrophobicContact CD1-CG 4.42Å; L537-K541 PolarHBondContact O-N 2.8Å; L537-S549 VanDerWaalsContact CD1-O 3.25Å; L537-S549 WeakPolarHBondContact CD1-O 3.36Å; L537-L552 HydrophobicContact CB-CB 4.45Å; L537-L552 HydrophobicContact CB-CD1 4.24Å; L537-L552 HydrophobicContact CD1-CB 4.1Å; L537-L553 HydrophobicContact CD1-CD2 4.43Å; L537-L553 HydrophobicContact CD1-CG 3.99Å; L537-L553 HydrophobicContact CD2-CD2 3.6Å; L537-L553 HydrophobicContact CD2-CG 4.09Å; L537-I556 HydrophobicContact CD2-CD1 4.36Å; L537-L572 HydrophobicContact CD2-CD2 3.74Å
538K96Very high92.9Very high86 Ų8656.3 Ų56.337%0.37429%0.287SS..Hα-helixtrans-61.2-44.5178.3-75.2170.1-180173.80111.5V534 D535 K541 F542 D571V534-K538 HydrophobicContact CG1-CD 4.39Å; V534-K538 VanDerWaalsContact O-CG 3.3Å; V534-K538 WeakPolarHBondContact O-CG 3.37Å; V534-K538 PolarHBondContact O-N 3.41Å; D535-K538 PolarHBondContact O-N 3.35Å; K538-K541 PolarHBondContact O-N 3.5Å; K538-F542 VanDerWaalsContact O-CB 3.31Å; K538-F542 WeakPolarHBondContact O-CB 3.39Å; K538-F542 PolarHBondContact O-N 2.79Å; K538-D571 VanDerWaalsContact CE-O 3.23Å; K538-D571 WeakPolarHBondContact CE-O 3.31Å; K538-D571 VanDerWaalsContact NZ-CB 3.31Å; K538-D571 PolarHBondContact NZ-O 3.17Å
539K95.5Very high93.3Very high68 Ų6852.6 Ų52.630%0.29626%0.261SS..Hα-helixtrans-61.5-45.5174.9-76.3171.1175.9163.10111.8M492 D535 L536 L537 K541 F542 H543M492-K539 HydrophobicContact CE-CB 3.62Å; D535-K539 WeakPolarHBondContact O-CB 3.42Å; D535-K539 WeakPolarHBondContact O-CG 3.25Å; D535-K539 PolarHBondContact O-N 3.16Å; D535-K539 IonicContact OD1-NZ 3.51Å; D535-K539 WeakPolarHBondContact OD2-CE 3.5Å; D535-K539 IonicContact OD2-NZ 2.78Å; D535-K539 PolarHBondContact OD2-NZ 3.49Å; L536-K539 PolarHBondContact O-N 2.86Å; L537-K539 PolarHBondContact O-N 2.77Å; K539-K541 VanDerWaalsContact C-N 3.32Å; K539-K541 PolarHBondContact O-N 2.75Å; K539-F542 PolarHBondContact O-N 3.44Å; K539-H543 PolarHBondContact O-CD2 2.89Å; K539-H543 VanDerWaalsContact O-CD2 3.29Å; K539-H543 PolarHBondContact O-N 3.42Å
540A95.9Very high93.7Very high0 Ų054.5 Ų54.50%027%0.274CS..Hα-helixtrans-58.3-44.917700000111.6L536 L537 H543 H544 S545 L548 L552L536-A540 WeakPolarHBondContact O-CB 2.77Å; L536-A540 PolarHBondContact O-N 3.36Å; L537-A540 PolarHBondContact O-N 3.23Å; A540-H543 CarbonylContact O-C 3.56Å; A540-H544 PolarHBondContact O-N 3.13Å; A540-S545 WeakPolarHBondContact O-CA 3.45Å; A540-S545 WeakPolarHBondContact O-CB 3.42Å; A540-S545 PolarHBondContact O-N 3.06Å; A540-L548 HydrophobicContact CB-CB 4.2Å; A540-L548 HydrophobicContact CB-CD2 3.96Å; A540-L548 HydrophobicContact CB-CG 4.02Å; A540-L552 HydrophobicContact CB-CD1 4.33Å
541K94.3Very high94.1Very high83 Ų8346.3 Ų46.336%0.36123%0.23SC..Hα-helixtrans-65.1-44.7175.9-74.3-172.5166.2-174.30113.2L537 K538 K539 H543 H544 E576L537-K541 HydrophobicContact CD1-CG 4.42Å; L537-K541 PolarHBondContact O-N 2.8Å; K538-K541 PolarHBondContact O-N 3.5Å; K539-K541 VanDerWaalsContact C-N 3.32Å; K539-K541 PolarHBondContact O-N 2.75Å; K541-H543 PolarHBondContact O-N 2.87Å; K541-H544 PolarHBondContact O-N 3.48Å; K541-E576 WeakPolarHBondContact CE-OE1 3.44Å; K541-E576 IonicContact NZ-OE1 3.59Å; K541-E576 PolarHBondContact NZ-OE1 3.23Å
542F94.8Very high94.5Very high156 Ų15644.4 Ų44.468%0.68422%0.22SC*.Hα-helixtrans-62.9-34.6-178.3-174.8-92.5000112K538 K539K538-F542 VanDerWaalsContact O-CB 3.31Å; K538-F542 WeakPolarHBondContact O-CB 3.39Å; K538-F542 PolarHBondContact O-N 2.79Å; K539-F542 PolarHBondContact O-N 3.44Å
543H92.7Very high94.5Very high30 Ų3042.3 Ų42.314%0.13921%0.209CC..THydrogen-bonded Turntrans-98.628.9178-66.7-76.9000113.2L495 I496 E499 K539 A540 K541 S545L495-H543 HydrophobicContact CD2-CB 4.33Å; I496-H543 VanDerWaalsContact CG1-CD2 3.47Å; I496-H543 WeakPolarHBondContact CG1-CD2 3.38Å; I496-H543 WeakPolarHBondContact CG2-CE1 3.42Å; E499-H543 IonicContact OE2-ND1 3.88Å; K539-H543 PolarHBondContact O-CD2 2.89Å; K539-H543 VanDerWaalsContact O-CD2 3.29Å; K539-H543 PolarHBondContact O-N 3.42Å; A540-H543 CarbonylContact O-C 3.56Å; K541-H543 PolarHBondContact O-N 2.87Å; H543-S545 PolarHBondContact O-N 3Å
544H90.6Very high94.6Very high132 Ų13243.3 Ų43.361%0.61121%0.214SC*.THydrogen-bonded Turntrans56.825.3170.3-47.4106000115.4E499 A540 K541 D546E499-H544 IonicContact OE1-ND1 2.69Å; E499-H544 PolarHBondContact OE1-ND1 2.83Å; A540-H544 PolarHBondContact O-N 3.13Å; K541-H544 PolarHBondContact O-N 3.48Å; H544-D546 PolarHBondContact O-N 3.39Å
545S92.3Very high94.5Very high0 Ų043.7 Ų43.70%022%0.215CC..  trans-89.175.5175.5178.90000109.6E511 A540 H543 C547 L548 S549E511-S545 VanDerWaalsContact CD-OG 3.25Å; E511-S545 WeakPolarHBondContact CG-OG 3.46Å; E511-S545 WeakPolarHBondContact OE1-CB 3.23Å; E511-S545 PolarHBondContact OE1-OG 2.87Å; A540-S545 WeakPolarHBondContact O-CA 3.45Å; A540-S545 WeakPolarHBondContact O-CB 3.42Å; A540-S545 PolarHBondContact O-N 3.06Å; H543-S545 PolarHBondContact O-N 3Å; S545-C547 VanDerWaalsContact C-N 3.3Å; S545-C547 PolarHBondContact O-N 2.83Å; S545-L548 PolarHBondContact O-N 3.49Å; S545-L548 WeakPolarHBondContact OG-CB 3.42Å; S545-S549 WeakPolarHBondContact O-CB 3.48Å; S545-S549 PolarHBondContact O-N 3.18Å; S545-S549 PolarHBondContact O-OG 3.46Å
546D91.3Very high94.5Very high116 Ų11640.8 Ų40.862%0.6220%0.199SC*.Hα-helixtrans-62.4-37.9-177.2-71.2-33.5000112.2H544 S549 T550H544-D546 PolarHBondContact O-N 3.39Å; D546-S549 WeakPolarHBondContact CA-OG 3.24Å; D546-S549 PolarHBondContact O-OG 2.87Å; D546-S549 VanDerWaalsContact O-OG 3.09Å; D546-T550 WeakPolarHBondContact O-CB 3.35Å; D546-T550 PolarHBondContact O-N 2.8Å; D546-T550 PolarHBondContact O-OG1 3.33Å
547C90.5Very high94.4Very high62 Ų6240.5 Ų40.542%0.41920%0.198SC..Hα-helixtrans-62.1-52.5177.7-790000111.6L233 E511 S545 W551L233-C547 HydrophobicContact CD2-CB 3.64Å; E511-C547 VanDerWaalsContact OE2-CB 3.31Å; E511-C547 WeakPolarHBondContact OE2-CB 3.43Å; S545-C547 VanDerWaalsContact C-N 3.3Å; S545-C547 PolarHBondContact O-N 2.83Å; C547-W551 VanDerWaalsContact O-CB 3.24Å; C547-W551 WeakPolarHBondContact O-CB 3.26Å; C547-W551 PolarHBondContact O-N 3.39Å
548L94.6Very high94.1Very high0 Ų041.6 Ų41.60%021%0.205CC..Hα-helixtrans-66.8-43.5179.9-177.959.1000111.6M492 L495 E511 I514 I515 A540 S545 T550 W551 L552M492-L548 HydrophobicContact SD-CD2 3.79Å; L495-L548 HydrophobicContact CD1-CD2 4.01Å; E511-L548 HydrophobicContact CB-CB 4.39Å; E511-L548 HydrophobicContact CG-CB 3.98Å; E511-L548 HydrophobicContact CG-CD2 4.49Å; I514-L548 HydrophobicContact CB-CD1 4.31Å; I514-L548 HydrophobicContact CD1-CD2 3.88Å; I514-L548 HydrophobicContact CG2-CD1 3.94Å; I515-L548 HydrophobicContact CD1-CD1 3.95Å; I515-L548 HydrophobicContact CG1-CD1 3.73Å; A540-L548 HydrophobicContact CB-CB 4.2Å; A540-L548 HydrophobicContact CB-CD2 3.96Å; A540-L548 HydrophobicContact CB-CG 4.02Å; S545-L548 PolarHBondContact O-N 3.49Å; S545-L548 WeakPolarHBondContact OG-CB 3.42Å; L548-T550 PolarHBondContact O-N 2.62Å; L548-W551 PolarHBondContact O-N 3.35Å; L548-L552 HydrophobicContact CD1-CD1 4.12Å; L548-L552 HydrophobicContact CD1-CG 4.05Å; L548-L552 HydrophobicContact CG-CD1 3.84Å; L548-L552 HydrophobicContact CG-CG 4.23Å; L548-L552 WeakPolarHBondContact O-CB 3.37Å; L548-L552 VanDerWaalsContact O-CG 3.22Å; L548-L552 WeakPolarHBondContact O-CG 3.23Å; L548-L552 PolarHBondContact O-N 3.1Å
549S95.4Very high93.8Very high4 Ų439 Ų393%0.02820%0.195CC..Hα-helixtrans-63.6-43.1-179.4600000112.4L537 S545 D546 W551 L552 L553L537-S549 VanDerWaalsContact CD1-O 3.25Å; L537-S549 WeakPolarHBondContact CD1-O 3.36Å; S545-S549 WeakPolarHBondContact O-CB 3.48Å; S545-S549 PolarHBondContact O-N 3.18Å; S545-S549 PolarHBondContact O-OG 3.46Å; D546-S549 WeakPolarHBondContact CA-OG 3.24Å; D546-S549 PolarHBondContact O-OG 2.87Å; D546-S549 VanDerWaalsContact O-OG 3.09Å; S549-W551 VanDerWaalsContact C-N 3.35Å; S549-L552 PolarHBondContact O-N 2.89Å; S549-L553 PolarHBondContact O-N 2.83Å; S549-L553 VanDerWaalsContact O-N 3.13Å
550T93.9Very high93.5Very high63 Ų6337.3 Ų37.339%0.38719%0.187SC..Hα-helixtrans-61.8-45.5173.4-59.40000110.8P231 D546 L548 L552 L553 H554P231-T550 HydrophobicContact CG-CG2 4.39Å; D546-T550 WeakPolarHBondContact O-CB 3.35Å; D546-T550 PolarHBondContact O-N 2.8Å; D546-T550 PolarHBondContact O-OG1 3.33Å; L548-T550 PolarHBondContact O-N 2.62Å; T550-L552 PolarHBondContact O-N 3.38Å; T550-L553 PolarHBondContact O-N 2.81Å; T550-H554 PolarHBondContact O-CD2 3.28Å; T550-H554 VanDerWaalsContact O-CD2 3.31Å; T550-H554 PolarHBondContact O-N 3.04Å
551W95.3Very high93.1Very high2 Ų241.7 Ų41.71%0.00821%0.21CC..Hα-helixtrans-61.4-44.2178.9-172.793.2000112.2M230 I515 L518 Q519 C547 L548 S549 L553 H554 F555M230-W551 HydrophobicContact SD-CZ2 4.3Å; I515-W551 HydrophobicContact CB-CD2 4.33Å; I515-W551 HydrophobicContact CB-CE3 4.48Å; I515-W551 HydrophobicContact CD1-CB 3.89Å; I515-W551 HydrophobicContact CD1-CD2 3.92Å; I515-W551 HydrophobicContact CD1-CE3 4.32Å; I515-W551 HydrophobicContact CD1-CG 3.65Å; I515-W551 HydrophobicContact CG1-CB 4.43Å; I515-W551 HydrophobicContact CG1-CD2 3.55Å; I515-W551 HydrophobicContact CG1-CE3 3.61Å; I515-W551 HydrophobicContact CG1-CG 3.87Å; I515-W551 HydrophobicContact CG1-CZ3 4.14Å; I515-W551 HydrophobicContact CG2-CD2 4.03Å; I515-W551 HydrophobicContact CG2-CG 4.46Å; I515-W551 HydrophobicContact CG2-CH2 4.41Å; I515-W551 HydrophobicContact CG2-CZ2 3.94Å; L518-W551 HydrophobicContact CB-CH2 3.99Å; L518-W551 HydrophobicContact CB-CZ3 4.11Å; L518-W551 HydrophobicContact CD1-CZ3 3.93Å; Q519-W551 HydrophobicContact CG-CH2 3.7Å; Q519-W551 HydrophobicContact CG-CZ2 3.21Å; Q519-W551 VanDerWaalsContact NE2-CE2 3.34Å; C547-W551 VanDerWaalsContact O-CB 3.24Å; C547-W551 WeakPolarHBondContact O-CB 3.26Å; C547-W551 PolarHBondContact O-N 3.39Å; L548-W551 PolarHBondContact O-N 3.35Å; S549-W551 VanDerWaalsContact C-N 3.35Å; W551-L553 VanDerWaalsContact C-N 3.33Å; W551-L553 PolarHBondContact O-N 3.11Å; W551-H554 PolarHBondContact O-N 3.34Å; W551-F555 HydrophobicContact CD2-CB 4.44Å; W551-F555 HydrophobicContact CE3-CB 3.94Å; W551-F555 HydrophobicContact CE3-CG 4.44Å; W551-F555 HydrophobicContact CH2-CB 3.64Å; W551-F555 HydrophobicContact CH2-CD1 4.05Å; W551-F555 AromaticContact CH2-CD2 3.23Å; W551-F555 HydrophobicContact CH2-CD2 3.23Å; W551-F555 AromaticContact CH2-CE2 3.81Å; W551-F555 HydrophobicContact CH2-CE2 3.81Å; W551-F555 AromaticContact CH2-CG 3.37Å; W551-F555 HydrophobicContact CH2-CG 3.37Å; W551-F555 HydrophobicContact CH2-CZ 4.42Å; W551-F555 HydrophobicContact CZ2-CB 4.07Å; W551-F555 AromaticContact CZ2-CD2 3.73Å; W551-F555 HydrophobicContact CZ2-CD2 3.73Å; W551-F555 HydrophobicContact CZ2-CE2 4.46Å; W551-F555 HydrophobicContact CZ2-CG 4.1Å; W551-F555 HydrophobicContact CZ3-CB 3.57Å; W551-F555 AromaticContact CZ3-CD1 3.99Å; W551-F555 HydrophobicContact CZ3-CD1 3.99Å; W551-F555 AromaticContact CZ3-CD2 3.97Å; W551-F555 HydrophobicContact CZ3-CD2 3.97Å; W551-F555 AromaticContact CZ3-CG 3.58Å; W551-F555 HydrophobicContact CZ3-CG 3.58Å; W551-F555 WeakPolarHBondContact O-CB 3.22Å; W551-F555 PolarHBondContact O-N 2.96Å
552L96.3Very high92.9Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-61.6-39.3178.2-74.4170.8000112L518 I533 L536 L537 A540 L548 S549 T550 F555 I556L518-L552 HydrophobicContact CD1-CD2 3.73Å; I533-L552 HydrophobicContact CD1-CD2 3.73Å; I533-L552 HydrophobicContact CG1-CD2 4.3Å; L536-L552 HydrophobicContact CB-CD1 4.44Å; L536-L552 HydrophobicContact CD2-CD1 4Å; L536-L552 HydrophobicContact CD2-CD2 3.78Å; L536-L552 HydrophobicContact CG-CD1 3.84Å; L537-L552 HydrophobicContact CB-CB 4.45Å; L537-L552 HydrophobicContact CB-CD1 4.24Å; L537-L552 HydrophobicContact CD1-CB 4.1Å; A540-L552 HydrophobicContact CB-CD1 4.33Å; L548-L552 HydrophobicContact CD1-CD1 4.12Å; L548-L552 HydrophobicContact CD1-CG 4.05Å; L548-L552 HydrophobicContact CG-CD1 3.84Å; L548-L552 HydrophobicContact CG-CG 4.23Å; L548-L552 WeakPolarHBondContact O-CB 3.37Å; L548-L552 VanDerWaalsContact O-CG 3.22Å; L548-L552 WeakPolarHBondContact O-CG 3.23Å; L548-L552 PolarHBondContact O-N 3.1Å; S549-L552 PolarHBondContact O-N 2.89Å; T550-L552 PolarHBondContact O-N 3.38Å; L552-F555 PolarHBondContact O-N 3.49Å; L552-I556 WeakPolarHBondContact O-CB 3.29Å; L552-I556 VanDerWaalsContact O-CG1 3.24Å; L552-I556 WeakPolarHBondContact O-CG1 3.42Å; L552-I556 PolarHBondContact O-N 2.87Å
553L96.2Very high92.7Very high16 Ų1631.8 Ų31.88%0.08417%0.167CC..Hα-helixtrans-61.2-45.7174.6-76.2170.9000112.1L537 S549 T550 W551 F555 I556 A557 E576 F579 V580L537-L553 HydrophobicContact CD1-CD2 4.43Å; L537-L553 HydrophobicContact CD1-CG 3.99Å; L537-L553 HydrophobicContact CD2-CD2 3.6Å; L537-L553 HydrophobicContact CD2-CG 4.09Å; S549-L553 PolarHBondContact O-N 2.83Å; S549-L553 VanDerWaalsContact O-N 3.13Å; T550-L553 PolarHBondContact O-N 2.81Å; W551-L553 VanDerWaalsContact C-N 3.33Å; W551-L553 PolarHBondContact O-N 3.11Å; L553-F555 VanDerWaalsContact C-N 3.32Å; L553-I556 PolarHBondContact O-N 3.01Å; L553-A557 WeakPolarHBondContact O-CB 3.36Å; L553-A557 PolarHBondContact O-N 3.37Å; L553-E576 HydrophobicContact CD2-CB 4Å; L553-E576 HydrophobicContact CD2-CG 4.12Å; L553-F579 HydrophobicContact CB-CD1 3.86Å; L553-F579 HydrophobicContact CB-CE1 3.76Å; L553-F579 HydrophobicContact CD1-CD1 4.4Å; L553-V580 HydrophobicContact CD2-CG2 4.13Å
554H95.3Very high92.7Very high23 Ų2332.3 Ų32.311%0.10617%0.174CC..Hα-helixtrans-65.3-36.8175-79.9-80000112.2E228 M230 T550 W551 A557 T558 F579E228-H554 IonicContact OE2-CE1 3.35Å; E228-H554 IonicContact OE2-ND1 2.79Å; M230-H554 HydrophobicContact CE-CB 3.92Å; M230-H554 HydrophobicContact SD-CB 3.89Å; T550-H554 PolarHBondContact O-CD2 3.28Å; T550-H554 VanDerWaalsContact O-CD2 3.31Å; T550-H554 PolarHBondContact O-N 3.04Å; W551-H554 PolarHBondContact O-N 3.34Å; H554-A557 PolarHBondContact O-N 3.3Å; H554-T558 WeakPolarHBondContact O-CB 3.46Å; H554-T558 PolarHBondContact O-N 3.07Å; H554-T558 PolarHBondContact O-OG1 2.95Å; H554-F579 AromaticContact CD2-CZ 3.97Å; H554-F579 AromaticContact CE1-CZ 3.71Å; H554-F579 AromaticContact NE2-CZ 3.54Å
555F94.7Very high92.6Very high10 Ų1033.8 Ų33.84%0.04418%0.182CC..Hα-helixtrans-65.6-43.8177.5-176.6-111.9000112.1L518 L526 I533 W551 L552 L553 T558 N559 F563L518-F555 HydrophobicContact CB-CE1 4.09Å; L518-F555 HydrophobicContact CB-CZ 4Å; L518-F555 HydrophobicContact CD2-CE1 4.33Å; L518-F555 WeakPolarHBondContact O-CZ 3.28Å; L526-F555 HydrophobicContact CD1-CZ 3.89Å; L526-F555 HydrophobicContact CD2-CE1 4.19Å; L526-F555 HydrophobicContact CD2-CZ 3.8Å; I533-F555 HydrophobicContact CD1-CD1 4.41Å; I533-F555 HydrophobicContact CD1-CE1 4.49Å; W551-F555 HydrophobicContact CD2-CB 4.44Å; W551-F555 HydrophobicContact CE3-CB 3.94Å; W551-F555 HydrophobicContact CE3-CG 4.44Å; W551-F555 HydrophobicContact CH2-CB 3.64Å; W551-F555 HydrophobicContact CH2-CD1 4.05Å; W551-F555 AromaticContact CH2-CD2 3.23Å; W551-F555 HydrophobicContact CH2-CD2 3.23Å; W551-F555 AromaticContact CH2-CE2 3.81Å; W551-F555 HydrophobicContact CH2-CE2 3.81Å; W551-F555 AromaticContact CH2-CG 3.37Å; W551-F555 HydrophobicContact CH2-CG 3.37Å; W551-F555 HydrophobicContact CH2-CZ 4.42Å; W551-F555 HydrophobicContact CZ2-CB 4.07Å; W551-F555 AromaticContact CZ2-CD2 3.73Å; W551-F555 HydrophobicContact CZ2-CD2 3.73Å; W551-F555 HydrophobicContact CZ2-CE2 4.46Å; W551-F555 HydrophobicContact CZ2-CG 4.1Å; W551-F555 HydrophobicContact CZ3-CB 3.57Å; W551-F555 AromaticContact CZ3-CD1 3.99Å; W551-F555 HydrophobicContact CZ3-CD1 3.99Å; W551-F555 AromaticContact CZ3-CD2 3.97Å; W551-F555 HydrophobicContact CZ3-CD2 3.97Å; W551-F555 AromaticContact CZ3-CG 3.58Å; W551-F555 HydrophobicContact CZ3-CG 3.58Å; W551-F555 WeakPolarHBondContact O-CB 3.22Å; W551-F555 PolarHBondContact O-N 2.96Å; L552-F555 PolarHBondContact O-N 3.49Å; L553-F555 VanDerWaalsContact C-N 3.32Å; F555-T558 PolarHBondContact O-N 3.44Å; F555-N559 WeakPolarHBondContact CD2-ND2 3.33Å; F555-N559 VanDerWaalsContact CE2-ND2 3.32Å; F555-N559 WeakPolarHBondContact CE2-ND2 3.38Å; F555-N559 WeakPolarHBondContact O-CB 3.35Å; F555-N559 PolarHBondContact O-N 3.34Å; F555-N559 PolarHBondContact O-ND2 3.46Å; F555-F563 AromaticContact CD1-CE2 4Å; F555-F563 HydrophobicContact CD1-CE2 4Å; F555-F563 HydrophobicContact CD1-CZ 4.21Å; F555-F563 AromaticContact CE1-CE2 3.79Å; F555-F563 HydrophobicContact CE1-CE2 3.79Å; F555-F563 AromaticContact CE1-CZ 3.72Å; F555-F563 HydrophobicContact CE1-CZ 3.72Å
556I95.1Very high92.5Very high0 Ų035.7 Ų35.70%019%0.19CC..Hα-helixtrans-61.1-46173.3-68.1164.9000110I533 L537 L552 L553 T558 N559 Y560 F563 F569 V580I533-I556 HydrophobicContact CG1-CD1 4.2Å; I533-I556 HydrophobicContact CG1-CG1 4.01Å; I533-I556 HydrophobicContact CG2-CD1 4.03Å; I533-I556 HydrophobicContact CG2-CG1 4.05Å; L537-I556 HydrophobicContact CD2-CD1 4.36Å; L552-I556 WeakPolarHBondContact O-CB 3.29Å; L552-I556 VanDerWaalsContact O-CG1 3.24Å; L552-I556 WeakPolarHBondContact O-CG1 3.42Å; L552-I556 PolarHBondContact O-N 2.87Å; L553-I556 PolarHBondContact O-N 3.01Å; I556-T558 PolarHBondContact O-N 3.47Å; I556-N559 CarbonylContact O-C 3.6Å; I556-N559 VanDerWaalsContact O-C 3.29Å; I556-N559 PolarHBondContact O-N 3.02Å; I556-Y560 VanDerWaalsContact O-CA 3.32Å; I556-Y560 WeakPolarHBondContact O-CA 3.48Å; I556-Y560 PolarHBondContact O-N 2.81Å; I556-F563 HydrophobicContact CB-CD2 4.42Å; I556-F563 HydrophobicContact CG1-CD2 4.37Å; I556-F563 HydrophobicContact CG2-CB 4.08Å; I556-F563 HydrophobicContact CG2-CD2 4.48Å; I556-F563 HydrophobicContact CG2-CG 4.49Å; I556-F569 HydrophobicContact CG2-CD2 4.32Å; I556-F569 HydrophobicContact CG2-CE2 3.86Å; I556-V580 HydrophobicContact CB-CG2 4.39Å; I556-V580 HydrophobicContact CG2-CG1 3.98Å; I556-V580 HydrophobicContact CG2-CG2 3.98Å
557A93.8Very high92.6Very high0 Ų034.8 Ų34.80%019%0.19CC..Hα-helixtrans-62.3-42.2178.700000112.5L553 H554 N559 Y560 V580 H583 R584 W585L553-A557 WeakPolarHBondContact O-CB 3.36Å; L553-A557 PolarHBondContact O-N 3.37Å; H554-A557 PolarHBondContact O-N 3.3Å; A557-N559 VanDerWaalsContact C-N 3.3Å; A557-N559 PolarHBondContact O-N 2.81Å; A557-Y560 VanDerWaalsContact O-CB 3.31Å; A557-Y560 WeakPolarHBondContact O-CB 3.23Å; A557-Y560 PolarHBondContact O-N 2.81Å; A557-V580 HydrophobicContact CB-CG1 4.31Å; A557-H583 HydrophobicContact CB-CB 4.08Å; A557-R584 CarbonylContact O-C 3.53Å; A557-R584 VanDerWaalsContact O-CA 3.23Å; A557-R584 WeakPolarHBondContact O-CA 3.22Å; A557-W585 PolarHBondContact O-N 3.47Å
558T91.4Very high92.7Very high23 Ų2333 Ų3314%0.14118%0.176CC..Hα-helixtrans-69.8-30.9179.9-63.90000112.6P227 M230 H554 F555 I556P227-T558 HydrophobicContact CB-CG2 3.61Å; P227-T558 HydrophobicContact CG-CG2 4.2Å; M230-T558 HydrophobicContact CE-CG2 4.24Å; M230-T558 WeakPolarHBondContact CE-OG1 3.46Å; H554-T558 WeakPolarHBondContact O-CB 3.46Å; H554-T558 PolarHBondContact O-N 3.07Å; H554-T558 PolarHBondContact O-OG1 2.95Å; F555-T558 PolarHBondContact O-N 3.44Å; I556-T558 PolarHBondContact O-N 3.47Å
559N90.1Very high92.7Very high30 Ų3033.9 Ų33.916%0.1618%0.18CC..THydrogen-bonded Turntrans-10431.6176.8-65-77.2000112.1F555 I556 A557 L561 I562 F563F555-N559 WeakPolarHBondContact CD2-ND2 3.33Å; F555-N559 VanDerWaalsContact CE2-ND2 3.32Å; F555-N559 WeakPolarHBondContact CE2-ND2 3.38Å; F555-N559 WeakPolarHBondContact O-CB 3.35Å; F555-N559 PolarHBondContact O-N 3.34Å; F555-N559 PolarHBondContact O-ND2 3.46Å; I556-N559 CarbonylContact O-C 3.6Å; I556-N559 VanDerWaalsContact O-C 3.29Å; I556-N559 PolarHBondContact O-N 3.02Å; A557-N559 VanDerWaalsContact C-N 3.3Å; A557-N559 PolarHBondContact O-N 2.81Å; N559-L561 VanDerWaalsContact C-N 3.27Å; N559-L561 PolarHBondContact O-N 3.43Å; N559-L561 VanDerWaalsContact O-N 3.13Å; N559-I562 HydrophobicContact CB-CD1 4.43Å; N559-I562 WeakPolarHBondContact O-CB 3.49Å; N559-I562 PolarHBondContact O-N 3.42Å; N559-F563 HydrophobicContact CB-CD2 3.64Å; N559-F563 HydrophobicContact CB-CE2 3.57Å; N559-F563 PolarHBondContact O-N 3.11Å
560Y89.7Confident92.6Very high34 Ų3440.7 Ų40.713%0.13321%0.211CC..Hα-helixtrans-52.2-42.4-170.6-179.5-88.3000113.4I556 A557 I562 F563 S564 F569 V580 E581 R584I556-Y560 VanDerWaalsContact O-CA 3.32Å; I556-Y560 WeakPolarHBondContact O-CA 3.48Å; I556-Y560 PolarHBondContact O-N 2.81Å; A557-Y560 VanDerWaalsContact O-CB 3.31Å; A557-Y560 WeakPolarHBondContact O-CB 3.23Å; A557-Y560 PolarHBondContact O-N 2.81Å; Y560-I562 PolarHBondContact O-N 3.32Å; Y560-F563 PolarHBondContact O-N 3.37Å; Y560-S564 WeakPolarHBondContact O-CB 3.39Å; Y560-S564 PolarHBondContact O-N 3.44Å; Y560-S564 PolarHBondContact O-OG 3.38Å; Y560-F569 HydrophobicContact CD2-CZ 4.35Å; Y560-F569 HydrophobicContact CE2-CE2 4.49Å; Y560-F569 AromaticContact CE2-CZ 3.78Å; Y560-F569 HydrophobicContact CE2-CZ 3.78Å; Y560-V580 HydrophobicContact CD2-CG1 3.77Å; Y560-V580 HydrophobicContact CE2-CG1 4.1Å; Y560-E581 PolarHBondContact OH-OE1 3.24Å; Y560-R584 HydrophobicContact CD2-CB 3.69Å; Y560-R584 HydrophobicContact CD2-CG 4.46Å; Y560-R584 HydrophobicContact CE2-CB 4.44Å; Y560-R584 HydrophobicContact CG-CB 3.8Å; Y560-R584 HydrophobicContact CG-CG 4.48Å
561L86.7Confident92.6Very high91 Ų9142 Ų4248%0.47622%0.216SC..Hα-helixtrans-62.1-26.1-178.3-63.9179.6000113.4N559 Q565N559-L561 VanDerWaalsContact C-N 3.27Å; N559-L561 PolarHBondContact O-N 3.43Å; N559-L561 VanDerWaalsContact O-N 3.13Å; L561-Q565 WeakPolarHBondContact O-CG 3.04Å; L561-Q565 PolarHBondContact O-NE2 2.78Å
562I90.6Very high92.7Very high29 Ų2942.4 Ų42.415%0.14922%0.218CC..Hα-helixtrans-83-57.1176.7-59.6172.8000108.9L526 A527 N559 Y560 S564 Q565L526-I562 HydrophobicContact CB-CD1 4.2Å; A527-I562 HydrophobicContact CB-CG2 3.96Å; N559-I562 HydrophobicContact CB-CD1 4.43Å; N559-I562 WeakPolarHBondContact O-CB 3.49Å; N559-I562 PolarHBondContact O-N 3.42Å; Y560-I562 PolarHBondContact O-N 3.32Å; I562-S564 PolarHBondContact O-N 3.31Å; I562-Q565 PolarHBondContact O-N 3.34Å
563F91.1Very high92.7Very high2 Ų244.4 Ų44.41%0.00923%0.232CC..Hα-helixtrans-72.1-30-171-68.2-63.9000113.5M529 I533 F555 I556 N559 Y560 Q565 K566 F569M529-F563 HydrophobicContact CE-CE1 4.48Å; I533-F563 HydrophobicContact CB-CD1 4.35Å; I533-F563 HydrophobicContact CB-CE1 3.93Å; I533-F563 HydrophobicContact CG1-CE1 4.18Å; I533-F563 HydrophobicContact CG1-CZ 4.27Å; I533-F563 HydrophobicContact CG2-CD1 3.61Å; I533-F563 HydrophobicContact CG2-CE1 3.71Å; I533-F563 HydrophobicContact CG2-CG 4.35Å; I533-F563 HydrophobicContact CG2-CZ 4.5Å; F555-F563 AromaticContact CD1-CE2 4Å; F555-F563 HydrophobicContact CD1-CE2 4Å; F555-F563 HydrophobicContact CD1-CZ 4.21Å; F555-F563 AromaticContact CE1-CE2 3.79Å; F555-F563 HydrophobicContact CE1-CE2 3.79Å; F555-F563 AromaticContact CE1-CZ 3.72Å; F555-F563 HydrophobicContact CE1-CZ 3.72Å; I556-F563 HydrophobicContact CB-CD2 4.42Å; I556-F563 HydrophobicContact CG1-CD2 4.37Å; I556-F563 HydrophobicContact CG2-CB 4.08Å; I556-F563 HydrophobicContact CG2-CD2 4.48Å; I556-F563 HydrophobicContact CG2-CG 4.49Å; N559-F563 HydrophobicContact CB-CD2 3.64Å; N559-F563 HydrophobicContact CB-CE2 3.57Å; N559-F563 PolarHBondContact O-N 3.11Å; Y560-F563 PolarHBondContact O-N 3.37Å; F563-Q565 PolarHBondContact O-N 3.2Å; F563-Q565 VanDerWaalsContact O-N 3.14Å; F563-K566 HydrophobicContact CD1-CG 4.44Å; F563-K566 WeakPolarHBondContact O-CB 3.44Å; F563-K566 PolarHBondContact O-N 3.27Å; F563-F569 HydrophobicContact CB-CD2 4.28Å; F563-F569 VanDerWaalsContact O-CB 3.31Å; F563-F569 WeakPolarHBondContact O-CB 3.3Å; F563-F569 WeakPolarHBondContact O-CD2 3.49Å
564S90.9Very high92.7Very high41 Ų4149.4 Ų49.429%0.28726%0.263SS..THydrogen-bonded Turntrans-63.8-17.6175.158.40000114.2Y560 I562Y560-S564 WeakPolarHBondContact O-CB 3.39Å; Y560-S564 PolarHBondContact O-N 3.44Å; Y560-S564 PolarHBondContact O-OG 3.38Å; I562-S564 PolarHBondContact O-N 3.31Å
565Q90.1Very high92.7Very high164 Ų16454.8 Ų54.877%0.76629%0.288SS*.THydrogen-bonded Turntrans-90.1-11.1176.4-59.5-18021.800112.8L561 I562 F563L561-Q565 WeakPolarHBondContact O-CG 3.04Å; L561-Q565 PolarHBondContact O-NE2 2.78Å; I562-Q565 PolarHBondContact O-N 3.34Å; F563-Q565 PolarHBondContact O-N 3.2Å; F563-Q565 VanDerWaalsContact O-N 3.14Å
566K90.3Very high92.8Very high40 Ų4055 Ų5517%0.17429%0.289CS..SBendtrans-82.3139.2-179.3-65.9-73.5-160.8167.30110.1A527 M529 F563 E568 F569A527-K566 WeakPolarHBondContact O-CE 3.32Å; A527-K566 PolarHBondContact O-NZ 2.75Å; M529-K566 PolarHBondContact O-NZ 2.87Å; F563-K566 HydrophobicContact CD1-CG 4.44Å; F563-K566 WeakPolarHBondContact O-CB 3.44Å; F563-K566 PolarHBondContact O-N 3.27Å; K566-E568 VanDerWaalsContact C-N 3.29Å; K566-E568 HydrophobicContact CB-CG 4.18Å; K566-E568 WeakPolarHBondContact CB-OE2 3.46Å; K566-E568 PolarHBondContact O-N 2.9Å; K566-F569 VanDerWaalsContact O-CB 3.27Å; K566-F569 WeakPolarHBondContact O-CB 3.44Å; K566-F569 PolarHBondContact O-N 2.91Å
567P91.9Very high92.8Very high96 Ų9659.4 Ų59.462%0.62331%0.306SS*.G310 helixtrans-59.6-38.9-177.522.1-31.6000112.9F569 Q570P567-F569 PolarHBondContact O-N 3.43Å; P567-F569 VanDerWaalsContact O-N 3.11Å; P567-Q570 WeakPolarHBondContact O-CB 3.15Å; P567-Q570 PolarHBondContact O-N 3.42Å; P567-Q570 VanDerWaalsContact O-N 3.15Å
568E93.6Very high92.9Very high25 Ų2563.2 Ų63.212%0.11733%0.332CS..G310 helixtrans-61.9-18.2-179.659.2-93.7-149.500113.9D532 V534 K566 Q570 D571D532-E568 WeakPolarHBondContact OD1-CB 3.17Å; D532-E568 WeakPolarHBondContact OD1-CG 3.36Å; V534-E568 HydrophobicContact CB-CB 4.32Å; V534-E568 HydrophobicContact CG2-CB 4.35Å; V534-E568 HydrophobicContact CG2-CG 4.21Å; V534-E568 WeakPolarHBondContact CG2-O 3.37Å; K566-E568 VanDerWaalsContact C-N 3.29Å; K566-E568 HydrophobicContact CB-CG 4.18Å; K566-E568 WeakPolarHBondContact CB-OE2 3.46Å; K566-E568 PolarHBondContact O-N 2.9Å; E568-Q570 PolarHBondContact O-N 2.9Å; E568-Q570 VanDerWaalsContact O-N 3.13Å; E568-D571 WeakPolarHBondContact O-CB 3.17Å; E568-D571 PolarHBondContact O-N 3.15Å
569F93.6Very high93.1Very high18 Ų1864.8 Ų64.88%0.07934%0.337CS..G310 helixtrans-60.5-24.4175.2-168.3-95000112.9I556 Y560 F563 K566 P567 D571 L572 R577 V580I556-F569 HydrophobicContact CG2-CD2 4.32Å; I556-F569 HydrophobicContact CG2-CE2 3.86Å; Y560-F569 HydrophobicContact CD2-CZ 4.35Å; Y560-F569 HydrophobicContact CE2-CE2 4.49Å; Y560-F569 AromaticContact CE2-CZ 3.78Å; Y560-F569 HydrophobicContact CE2-CZ 3.78Å; F563-F569 HydrophobicContact CB-CD2 4.28Å; F563-F569 VanDerWaalsContact O-CB 3.31Å; F563-F569 WeakPolarHBondContact O-CB 3.3Å; F563-F569 WeakPolarHBondContact O-CD2 3.49Å; K566-F569 VanDerWaalsContact O-CB 3.27Å; K566-F569 WeakPolarHBondContact O-CB 3.44Å; K566-F569 PolarHBondContact O-N 2.91Å; P567-F569 PolarHBondContact O-N 3.43Å; P567-F569 VanDerWaalsContact O-N 3.11Å; F569-D571 PolarHBondContact O-N 3.39Å; F569-L572 HydrophobicContact CD2-CD1 3.78Å; F569-L572 HydrophobicContact CE1-CD1 4.49Å; F569-L572 HydrophobicContact CE2-CD1 3.68Å; F569-L572 HydrophobicContact CG-CD1 4.24Å; F569-L572 HydrophobicContact CZ-CD1 4.05Å; F569-R577 PolarHBondContact O-NH2 3.18Å; F569-R577 VanDerWaalsContact O-NH2 3.1Å; F569-V580 HydrophobicContact CE2-CG1 4.03Å; F569-V580 HydrophobicContact CZ-CG1 3.99Å
570Q93.1Very high93.4Very high148 Ų14863.4 Ų63.469%0.69233%0.33SS*.G310 helixtrans-67.2-22.7176.2-63.7-175.527.900112.3P567 E568 L572 R577P567-Q570 WeakPolarHBondContact O-CB 3.15Å; P567-Q570 PolarHBondContact O-N 3.42Å; P567-Q570 VanDerWaalsContact O-N 3.15Å; E568-Q570 PolarHBondContact O-N 2.9Å; E568-Q570 VanDerWaalsContact O-N 3.13Å; Q570-L572 VanDerWaalsContact C-N 3.34Å; Q570-L572 PolarHBondContact O-N 3.04Å; Q570-R577 VanDerWaalsContact C-NH2 3.26Å; Q570-R577 PolarHBondContact O-NH2 2.86Å
571D95.8Very high93.5Very high90 Ų9064.7 Ų64.748%0.48134%0.337SS..G310 helixtrans-89.42.8-173.1-54-36.5000114V534 K538 E568 F569V534-D571 HydrophobicContact CG1-CB 4.15Å; K538-D571 VanDerWaalsContact CE-O 3.23Å; K538-D571 WeakPolarHBondContact CE-O 3.31Å; K538-D571 VanDerWaalsContact NZ-CB 3.31Å; K538-D571 PolarHBondContact NZ-O 3.17Å; E568-D571 WeakPolarHBondContact O-CB 3.17Å; E568-D571 PolarHBondContact O-N 3.15Å; F569-D571 PolarHBondContact O-N 3.39Å
572L96.3Very high93.8Very high10 Ų1068.2 Ų68.25%0.05235%0.348CS..SBendtrans-66.4142168.8-70.1170.7000110.9V534 L537 F569 Q570 E576 R577 V580V534-L572 HydrophobicContact CG1-CD2 3.95Å; V534-L572 HydrophobicContact CG1-CG 4.24Å; V534-L572 HydrophobicContact CG2-CD2 4.01Å; V534-L572 HydrophobicContact CG2-CG 4.08Å; L537-L572 HydrophobicContact CD2-CD2 3.74Å; F569-L572 HydrophobicContact CD2-CD1 3.78Å; F569-L572 HydrophobicContact CE1-CD1 4.49Å; F569-L572 HydrophobicContact CE2-CD1 3.68Å; F569-L572 HydrophobicContact CG-CD1 4.24Å; F569-L572 HydrophobicContact CZ-CD1 4.05Å; Q570-L572 VanDerWaalsContact C-N 3.34Å; Q570-L572 PolarHBondContact O-N 3.04Å; L572-E576 WeakPolarHBondContact CA-OE2 3.27Å; L572-E576 HydrophobicContact CB-CB 4.21Å; L572-E576 HydrophobicContact CD2-CB 4.09Å; L572-R577 HydrophobicContact CB-CB 4.45Å; L572-V580 HydrophobicContact CD1-CG2 4.47Å
573S96Very high93.8Very high43 Ų4369 Ų6930%0.30135%0.352SS..  trans-63.3165.6172.397.20000111.7E575 E576 R577S573-E575 VanDerWaalsContact C-N 3.28Å; S573-E575 WeakPolarHBondContact CB-OE2 3.44Å; S573-E575 PolarHBondContact O-N 3.37Å; S573-E575 PolarHBondContact OG-N 2.93Å; S573-E575 PolarHBondContact OG-OE2 3.24Å; S573-E576 PolarHBondContact N-OE2 3.17Å; S573-E576 PolarHBondContact O-N 3.49Å; S573-E576 WeakPolarHBondContact OG-CG 3.18Å; S573-E576 PolarHBondContact OG-N 3.32Å; S573-R577 WeakPolarHBondContact O-CB 3.47Å; S573-R577 PolarHBondContact O-N 3.34Å
574V96.1Very high93.8Very high120 Ų12069.5 Ų69.573%0.72735%0.353SS*.Hα-helixtrans-60.5-42178.3179.60000110.8S578V574-S578 VanDerWaalsContact O-CB 3.32Å; V574-S578 WeakPolarHBondContact O-CB 3.18Å; V574-S578 PolarHBondContact O-N 2.7Å
575E95.7Very high93.5Very high137 Ų13771.6 Ų71.664%0.6436%0.355SS*.Hα-helixtrans-67.5-43.9178.9-56.170.9-150.400111.2S573 S578 F579S573-E575 VanDerWaalsContact C-N 3.28Å; S573-E575 WeakPolarHBondContact CB-OE2 3.44Å; S573-E575 PolarHBondContact O-N 3.37Å; S573-E575 PolarHBondContact OG-N 2.93Å; S573-E575 PolarHBondContact OG-OE2 3.24Å; E575-S578 PolarHBondContact O-N 3.18Å; E575-F579 WeakPolarHBondContact O-CB 3.3Å; E575-F579 PolarHBondContact O-N 2.84Å
576E96.3Very high93.4Very high14 Ų1464.3 Ų64.37%0.06532%0.322CS..Hα-helixtrans-64.5-45.9178.5-67.9170.2162.500111.4K541 L553 L572 S573 S578 F579 V580K541-E576 WeakPolarHBondContact CE-OE1 3.44Å; K541-E576 IonicContact NZ-OE1 3.59Å; K541-E576 PolarHBondContact NZ-OE1 3.23Å; L553-E576 HydrophobicContact CD2-CB 4Å; L553-E576 HydrophobicContact CD2-CG 4.12Å; L572-E576 WeakPolarHBondContact CA-OE2 3.27Å; L572-E576 HydrophobicContact CB-CB 4.21Å; L572-E576 HydrophobicContact CD2-CB 4.09Å; S573-E576 PolarHBondContact N-OE2 3.17Å; S573-E576 PolarHBondContact O-N 3.49Å; S573-E576 WeakPolarHBondContact OG-CG 3.18Å; S573-E576 PolarHBondContact OG-N 3.32Å; E576-S578 VanDerWaalsContact C-N 3.33Å; E576-S578 PolarHBondContact O-N 2.93Å; E576-F579 WeakPolarHBondContact O-CB 3.47Å; E576-F579 PolarHBondContact O-N 2.88Å; E576-V580 WeakPolarHBondContact O-CG2 3.02Å; E576-V580 PolarHBondContact O-N 3.1Å
577R96Very high93.2Very high93 Ų9364.8 Ų64.835%0.35133%0.33SS..Hα-helixtrans-62.9-42.5176-175.3174.4-68.1153.39.8111F569 Q570 L572 S573 F579 V580 E581F569-R577 PolarHBondContact O-NH2 3.18Å; F569-R577 VanDerWaalsContact O-NH2 3.1Å; Q570-R577 VanDerWaalsContact C-NH2 3.26Å; Q570-R577 PolarHBondContact O-NH2 2.86Å; L572-R577 HydrophobicContact CB-CB 4.45Å; S573-R577 WeakPolarHBondContact O-CB 3.47Å; S573-R577 PolarHBondContact O-N 3.34Å; R577-F579 VanDerWaalsContact C-N 3.29Å; R577-F579 PolarHBondContact O-N 2.84Å; R577-V580 PolarHBondContact O-N 2.77Å; R577-E581 HydrophobicContact CG-CG 4.44Å; R577-E581 WeakPolarHBondContact O-CB 3.22Å; R577-E581 WeakPolarHBondContact O-CG 3.39Å; R577-E581 PolarHBondContact O-N 3.39Å
578S96.1Very high92.8Very high79 Ų7963.5 Ų63.555%0.55232%0.318SS*.Hα-helixtrans-61.1-39.4174.8-175.80000111.9V574 E575 E576 K582V574-S578 VanDerWaalsContact O-CB 3.32Å; V574-S578 WeakPolarHBondContact O-CB 3.18Å; V574-S578 PolarHBondContact O-N 2.7Å; E575-S578 PolarHBondContact O-N 3.18Å; E576-S578 VanDerWaalsContact C-N 3.33Å; E576-S578 PolarHBondContact O-N 2.93Å; S578-K582 WeakPolarHBondContact O-CB 3.21Å; S578-K582 PolarHBondContact O-N 2.76Å; S578-K582 VanDerWaalsContact O-N 3.12Å
579F95.6Very high92.3Very high57 Ų5768.1 Ų68.125%0.2534%0.341CS..Hα-helixtrans-64.2-49.7175.8-179.2-82.5000111.2L553 H554 E575 E576 R577 E581 K582 H583L553-F579 HydrophobicContact CB-CD1 3.86Å; L553-F579 HydrophobicContact CB-CE1 3.76Å; L553-F579 HydrophobicContact CD1-CD1 4.4Å; H554-F579 AromaticContact CD2-CZ 3.97Å; H554-F579 AromaticContact CE1-CZ 3.71Å; H554-F579 AromaticContact NE2-CZ 3.54Å; E575-F579 WeakPolarHBondContact O-CB 3.3Å; E575-F579 PolarHBondContact O-N 2.84Å; E576-F579 WeakPolarHBondContact O-CB 3.47Å; E576-F579 PolarHBondContact O-N 2.88Å; R577-F579 VanDerWaalsContact C-N 3.29Å; R577-F579 PolarHBondContact O-N 2.84Å; F579-E581 PolarHBondContact O-N 2.83Å; F579-K582 PolarHBondContact O-N 2.83Å; F579-H583 AromaticContact CD1-ND1 3.75Å; F579-H583 AromaticContact CD2-CE1 3.58Å; F579-H583 AromaticContact CD2-ND1 3.73Å; F579-H583 AromaticContact CE1-ND1 3.64Å; F579-H583 AromaticContact CE2-CE1 3.36Å; F579-H583 WeakPolarHBondContact CE2-CE1 3.16Å; F579-H583 AromaticContact CE2-ND1 3.63Å; F579-H583 AromaticContact CG-ND1 3.78Å; F579-H583 AromaticContact CZ-CE1 3.7Å; F579-H583 AromaticContact CZ-ND1 3.59Å; F579-H583 PolarHBondContact O-N 2.8Å; F579-H583 PolarHBondContact O-ND1 3.46Å
580V95.5Very high91.8Very high0 Ų069.1 Ų69.10%035%0.345CS..Hα-helixtrans-59.7-47.6179.7167.30000110.5L553 I556 A557 Y560 F569 L572 E576 R577 K582 H583 R584L553-V580 HydrophobicContact CD2-CG2 4.13Å; I556-V580 HydrophobicContact CB-CG2 4.39Å; I556-V580 HydrophobicContact CG2-CG1 3.98Å; I556-V580 HydrophobicContact CG2-CG2 3.98Å; A557-V580 HydrophobicContact CB-CG1 4.31Å; Y560-V580 HydrophobicContact CD2-CG1 3.77Å; Y560-V580 HydrophobicContact CE2-CG1 4.1Å; F569-V580 HydrophobicContact CE2-CG1 4.03Å; F569-V580 HydrophobicContact CZ-CG1 3.99Å; L572-V580 HydrophobicContact CD1-CG2 4.47Å; E576-V580 WeakPolarHBondContact O-CG2 3.02Å; E576-V580 PolarHBondContact O-N 3.1Å; R577-V580 PolarHBondContact O-N 2.77Å; V580-K582 VanDerWaalsContact C-N 3.28Å; V580-K582 PolarHBondContact O-N 3.07Å; V580-H583 CarbonylContact O-C 3.51Å; V580-H583 PolarHBondContact O-N 3.05Å; V580-R584 WeakPolarHBondContact O-CA 3.22Å; V580-R584 VanDerWaalsContact O-CB 3.26Å; V580-R584 WeakPolarHBondContact O-CB 3.43Å; V580-R584 PolarHBondContact O-N 2.84Å
581E92.8Very high91Very high61 Ų6165.2 Ų65.229%0.28533%0.328SS..Hα-helixtrans-60.2-36.2177.8-79.9-73.2178.600113.3Y560 R577 F579 R584 N588Y560-E581 PolarHBondContact OH-OE1 3.24Å; R577-E581 HydrophobicContact CG-CG 4.44Å; R577-E581 WeakPolarHBondContact O-CB 3.22Å; R577-E581 WeakPolarHBondContact O-CG 3.39Å; R577-E581 PolarHBondContact O-N 3.39Å; F579-E581 PolarHBondContact O-N 2.83Å; E581-R584 WeakPolarHBondContact O-CG 3.5Å; E581-R584 VanDerWaalsContact OE2-CD 3.27Å; E581-R584 WeakPolarHBondContact OE2-CD 3.49Å; E581-R584 IonicContact OE2-NE 2.77Å; E581-N588 PolarHBondContact OE2-ND2 3.28Å
582K92.4Very high90.3Very high165 Ų16567.2 Ų67.272%0.71733%0.333SS*.Hα-helixtrans-69.9-40.9178.3-178.2-178.8173.4-170.50112.2S578 F579 V580S578-K582 WeakPolarHBondContact O-CB 3.21Å; S578-K582 PolarHBondContact O-N 2.76Å; S578-K582 VanDerWaalsContact O-N 3.12Å; F579-K582 PolarHBondContact O-N 2.83Å; V580-K582 VanDerWaalsContact C-N 3.28Å; V580-K582 PolarHBondContact O-N 3.07Å
583H91Very high89.5Confident46 Ų4671.1 Ų71.121%0.21335%0.351CS..Hα-helixtrans-100.18.9-175.3-5590.8000113.2E228 A557 F579 V580E228-H583 IonicContact OE2-CD2 3.98Å; E228-H583 PolarHBondContact OE2-CD2 3.29Å; E228-H583 IonicContact OE2-CG 3.83Å; A557-H583 HydrophobicContact CB-CB 4.08Å; F579-H583 AromaticContact CD1-ND1 3.75Å; F579-H583 AromaticContact CD2-CE1 3.58Å; F579-H583 AromaticContact CD2-ND1 3.73Å; F579-H583 AromaticContact CE1-ND1 3.64Å; F579-H583 AromaticContact CE2-CE1 3.36Å; F579-H583 WeakPolarHBondContact CE2-CE1 3.16Å; F579-H583 AromaticContact CE2-ND1 3.63Å; F579-H583 AromaticContact CG-ND1 3.78Å; F579-H583 AromaticContact CZ-CE1 3.7Å; F579-H583 AromaticContact CZ-ND1 3.59Å; F579-H583 PolarHBondContact O-N 2.8Å; F579-H583 PolarHBondContact O-ND1 3.46Å; V580-H583 CarbonylContact O-C 3.51Å; V580-H583 PolarHBondContact O-N 3.05Å
584R90.1Very high88.5Confident12 Ų1270.6 Ų70.65%0.04535%0.345CS..  trans-65.7146.4-173.471.5-173.3-153.169.912.4113.1A557 Y560 V580 E581 P586 S587 N588A557-R584 CarbonylContact O-C 3.53Å; A557-R584 VanDerWaalsContact O-CA 3.23Å; A557-R584 WeakPolarHBondContact O-CA 3.22Å; Y560-R584 HydrophobicContact CD2-CB 3.69Å; Y560-R584 HydrophobicContact CD2-CG 4.46Å; Y560-R584 HydrophobicContact CE2-CB 4.44Å; Y560-R584 HydrophobicContact CG-CB 3.8Å; Y560-R584 HydrophobicContact CG-CG 4.48Å; V580-R584 WeakPolarHBondContact O-CA 3.22Å; V580-R584 VanDerWaalsContact O-CB 3.26Å; V580-R584 WeakPolarHBondContact O-CB 3.43Å; V580-R584 PolarHBondContact O-N 2.84Å; E581-R584 WeakPolarHBondContact O-CG 3.5Å; E581-R584 VanDerWaalsContact OE2-CD 3.27Å; E581-R584 WeakPolarHBondContact OE2-CD 3.49Å; E581-R584 IonicContact OE2-NE 2.77Å; R584-P586 PolarHBondContact NH1-O 2.78Å; R584-P586 PolarHBondContact NH2-O 3.09Å; R584-P586 CarbonylContact O-C 3.6Å; R584-S587 WeakPolarHBondContact O-CA 2.95Å; R584-S587 PolarHBondContact O-N 3.19Å; R584-N588 VanDerWaalsContact CZ-OD1 3.24Å; R584-N588 PolarHBondContact NE-ND2 2.85Å; R584-N588 PolarHBondContact NE-OD1 3.12Å; R584-N588 PolarHBondContact NH2-OD1 2.64Å
585W85.4Confident87.5Confident85 Ų8567.2 Ų67.232%0.32233%0.329SS..SBendtrans-119.7131.8171.5-171.686.9000111.1L224 E225 P227 A557L224-W585 HydrophobicContact CD1-CZ2 4.26Å; L224-W585 HydrophobicContact CD2-CH2 4.2Å; L224-W585 HydrophobicContact CD2-CZ2 3.62Å; L224-W585 HydrophobicContact CG-CZ2 3.97Å; E225-W585 PolarHBondContact O-NE1 2.99Å; P227-W585 HydrophobicContact CB-CB 4.19Å; P227-W585 HydrophobicContact CB-CD2 4.2Å; P227-W585 HydrophobicContact CB-CG 3.83Å; A557-W585 PolarHBondContact O-N 3.47Å
586P87.3Confident86.7Confident11 Ų1167 Ų677%0.07133%0.328CS..SBendcis-64.1151-10.7-23.536.1000113.4L224 R584 Y590 L591L224-P586 HydrophobicContact CD1-CB 3.67Å; L224-P586 HydrophobicContact CD1-CG 4.06Å; R584-P586 PolarHBondContact NH1-O 2.78Å; R584-P586 PolarHBondContact NH2-O 3.09Å; R584-P586 CarbonylContact O-C 3.6Å; P586-Y590 HydrophobicContact CB-CD1 3.69Å; P586-Y590 HydrophobicContact CB-CE1 4.21Å; P586-L591 HydrophobicContact CB-CD2 4.27Å
587S86.1Confident85.6Confident50 Ų5069 Ų6935%0.3534%0.335SS..  trans-67.9155.6-175.875.80000114.1R584 M589 Y590 L591R584-S587 WeakPolarHBondContact O-CA 2.95Å; R584-S587 PolarHBondContact O-N 3.19Å; S587-M589 VanDerWaalsContact C-N 3.26Å; S587-M589 PolarHBondContact O-N 3.22Å; S587-Y590 PolarHBondContact O-N 3.13Å; S587-Y590 WeakPolarHBondContact OG-CB 3.43Å; S587-Y590 PolarHBondContact OG-N 3.03Å; S587-L591 PolarHBondContact O-N 3.05Å
588N84.1Confident84.5Confident70 Ų7072.6 Ų72.637%0.37435%0.349SS..Hα-helixtrans-58.3-37.2175.2-86.9-38.7000112.7E581 R584 L591 K592E581-N588 PolarHBondContact OE2-ND2 3.28Å; R584-N588 VanDerWaalsContact CZ-OD1 3.24Å; R584-N588 PolarHBondContact NE-ND2 2.85Å; R584-N588 PolarHBondContact NE-OD1 3.12Å; R584-N588 PolarHBondContact NH2-OD1 2.64Å; N588-L591 PolarHBondContact O-N 3.35Å; N588-K592 WeakPolarHBondContact O-CG 3.38Å; N588-K592 PolarHBondContact O-N 3.39Å; N588-K592 VanDerWaalsContact O-N 3.09Å
589M83.5Confident83.6Confident122 Ų12276.3 Ų76.360%0.60136%0.355SS*.Hα-helixtrans-65.7-44.5176.6-68.9-57.3-67.800111.6S587 L591 K592 Q593S587-M589 VanDerWaalsContact C-N 3.26Å; S587-M589 PolarHBondContact O-N 3.22Å; M589-L591 PolarHBondContact O-N 3.2Å; M589-K592 PolarHBondContact O-N 2.83Å; M589-Q593 WeakPolarHBondContact O-CG 3.33Å; M589-Q593 PolarHBondContact O-N 2.89Å
590Y81.9Confident82.7Confident39 Ų3976.2 Ų76.215%0.15335%0.353CS..Hα-helixtrans-60.1-45.6176.3173.4-97.3000111.7P222 Q223 L224 P586 S587 K592 Q593 L594P222-Y590 HydrophobicContact CB-CD2 4.03Å; P222-Y590 HydrophobicContact CB-CE2 3.97Å; P222-Y590 HydrophobicContact CG-CD2 4.45Å; P222-Y590 HydrophobicContact CG-CE2 4.06Å; Q223-Y590 WeakPolarHBondContact O-CD2 3.49Å; L224-Y590 HydrophobicContact CB-CD2 4.32Å; L224-Y590 HydrophobicContact CB-CE1 4.4Å; L224-Y590 HydrophobicContact CB-CE2 3.71Å; L224-Y590 HydrophobicContact CD1-CD1 3.83Å; L224-Y590 HydrophobicContact CD1-CD2 4.22Å; L224-Y590 HydrophobicContact CD1-CE1 3.85Å; L224-Y590 HydrophobicContact CD1-CE2 4.24Å; L224-Y590 HydrophobicContact CD1-CG 4.02Å; P586-Y590 HydrophobicContact CB-CD1 3.69Å; P586-Y590 HydrophobicContact CB-CE1 4.21Å; S587-Y590 PolarHBondContact O-N 3.13Å; S587-Y590 WeakPolarHBondContact OG-CB 3.43Å; S587-Y590 PolarHBondContact OG-N 3.03Å; Y590-K592 PolarHBondContact O-N 2.94Å; Y590-Q593 PolarHBondContact O-N 3.35Å; Y590-L594 HydrophobicContact CE1-CD2 4.03Å; Y590-L594 WeakPolarHBondContact O-CB 3.31Å; Y590-L594 PolarHBondContact O-N 3.27Å
591L77.8Confident81.6Confident66 Ų6679.2 Ų79.235%0.34637%0.369SS..Hα-helixtrans-63.6-39179-67-166.5000112.8P586 S587 N588 M589 L594 A595P586-L591 HydrophobicContact CB-CD2 4.27Å; S587-L591 PolarHBondContact O-N 3.05Å; N588-L591 PolarHBondContact O-N 3.35Å; M589-L591 PolarHBondContact O-N 3.2Å; L591-L594 PolarHBondContact O-N 3.09Å; L591-A595 WeakPolarHBondContact O-CB 3.45Å; L591-A595 PolarHBondContact O-N 2.93Å
592K79.8Confident80.5Confident132 Ų13282.4 Ų82.457%0.57438%0.383SS*.Hα-helixtrans-61.9-49.9174.8-74.9177.4-178.6-179.60111.3N588 M589 Y590 L594 A595 E596N588-K592 WeakPolarHBondContact O-CG 3.38Å; N588-K592 PolarHBondContact O-N 3.39Å; N588-K592 VanDerWaalsContact O-N 3.09Å; M589-K592 PolarHBondContact O-N 2.83Å; Y590-K592 PolarHBondContact O-N 2.94Å; K592-L594 VanDerWaalsContact C-N 3.26Å; K592-L594 PolarHBondContact O-N 3.06Å; K592-A595 PolarHBondContact O-N 2.99Å; K592-A595 VanDerWaalsContact O-N 3.16Å; K592-E596 WeakPolarHBondContact O-CG 3.34Å; K592-E596 PolarHBondContact O-N 2.83Å
593Q79.4Confident79.4Confident92 Ų9277.2 Ų77.243%0.4337%0.368SS..Hα-helixtrans-60.2-37.6176.7-68.5174.4-10.800111.8P222 M589 Y590 E596 Y597P222-Q593 HydrophobicContact CB-CB 3.72Å; P222-Q593 HydrophobicContact CG-CB 4.09Å; M589-Q593 WeakPolarHBondContact O-CG 3.33Å; M589-Q593 PolarHBondContact O-N 2.89Å; Y590-Q593 PolarHBondContact O-N 3.35Å; Q593-E596 PolarHBondContact O-N 3.03Å; Q593-Y597 VanDerWaalsContact O-CB 3.28Å; Q593-Y597 WeakPolarHBondContact O-CB 3.47Å; Q593-Y597 PolarHBondContact O-N 2.88Å
594L75.4Confident77.9Confident32 Ų3281.8 Ų81.817%0.16838%0.383CS..Hα-helixtrans-67.2-40.2177.5-177.263.1000111.5P222 Y590 L591 K592 Y597 R598P222-L594 HydrophobicContact CG-CB 4Å; P222-L594 HydrophobicContact CG-CD1 4.15Å; Y590-L594 HydrophobicContact CE1-CD2 4.03Å; Y590-L594 WeakPolarHBondContact O-CB 3.31Å; Y590-L594 PolarHBondContact O-N 3.27Å; L591-L594 PolarHBondContact O-N 3.09Å; K592-L594 VanDerWaalsContact C-N 3.26Å; K592-L594 PolarHBondContact O-N 3.06Å; L594-Y597 PolarHBondContact O-N 2.81Å; L594-R598 WeakPolarHBondContact O-CB 2.92Å; L594-R598 VanDerWaalsContact O-CG 3.26Å; L594-R598 WeakPolarHBondContact O-CG 3.3Å; L594-R598 PolarHBondContact O-N 2.76Å
595A76.2Confident76.2Confident48 Ų4888.3 Ų88.340%0.39741%0.412SS..Hα-helixtrans-65.2-43.8175.600000112L591 K592 R598 K599L591-A595 WeakPolarHBondContact O-CB 3.45Å; L591-A595 PolarHBondContact O-N 2.93Å; K592-A595 PolarHBondContact O-N 2.99Å; K592-A595 VanDerWaalsContact O-N 3.16Å; A595-R598 PolarHBondContact O-N 2.9Å; A595-K599 WeakPolarHBondContact O-CG 3.43Å; A595-K599 PolarHBondContact O-N 2.92Å
596E78.6Confident74.3Confident133 Ų13387.6 Ų87.662%0.62142%0.419SS*.Hα-helixtrans-61.5-45.8174.8-73174.2-17300111.7K592 Q593 R598 K599 Y600K592-E596 WeakPolarHBondContact O-CG 3.34Å; K592-E596 PolarHBondContact O-N 2.83Å; Q593-E596 PolarHBondContact O-N 3.03Å; E596-R598 PolarHBondContact O-N 2.79Å; E596-K599 PolarHBondContact O-N 3.21Å; E596-Y600 WeakPolarHBondContact O-CB 3.33Å; E596-Y600 PolarHBondContact O-N 3.41Å
597Y73.1Confident72.1Confident56 Ų5697 Ų9722%0.2245%0.453CS..Hα-helixtrans-60.6-44.2175.9-179.4-102.2000111.8I219 P221 Q593 L594 K599 Y600 I601I219-Y597 HydrophobicContact CG2-CD2 4.45Å; P221-Y597 HydrophobicContact CB-CD1 4.31Å; P221-Y597 HydrophobicContact CB-CE1 3.88Å; P221-Y597 HydrophobicContact CB-CE2 4.14Å; Q593-Y597 VanDerWaalsContact O-CB 3.28Å; Q593-Y597 WeakPolarHBondContact O-CB 3.47Å; Q593-Y597 PolarHBondContact O-N 2.88Å; L594-Y597 PolarHBondContact O-N 2.81Å; Y597-K599 PolarHBondContact O-N 3.45Å; Y597-Y600 WeakPolarHBondContact O-CB 3.37Å; Y597-Y600 PolarHBondContact O-N 2.91Å; Y597-I601 HydrophobicContact CD1-CG1 4.31Å; Y597-I601 HydrophobicContact CE1-CD1 4.44Å; Y597-I601 HydrophobicContact CE1-CG1 3.87Å; Y597-I601 HydrophobicContact CE2-CD1 4.25Å; Y597-I601 HydrophobicContact CE2-CG1 4.22Å; Y597-I601 WeakPolarHBondContact O-CG1 3.48Å; Y597-I601 PolarHBondContact O-N 2.96Å
598R73.2Confident70.1Confident168 Ų16899.2 Ų99.263%0.63447%0.468SS*.Hα-helixtrans-61-44.1175.6-76.4174.5177.6-176.30.3112L594 A595 E596 I601 H602L594-R598 WeakPolarHBondContact O-CB 2.92Å; L594-R598 VanDerWaalsContact O-CG 3.26Å; L594-R598 WeakPolarHBondContact O-CG 3.3Å; L594-R598 PolarHBondContact O-N 2.76Å; A595-R598 PolarHBondContact O-N 2.9Å; E596-R598 PolarHBondContact O-N 2.79Å; R598-I601 PolarHBondContact O-N 3.42Å; R598-H602 WeakPolarHBondContact O-CB 3.32Å; R598-H602 PolarHBondContact O-N 3.14Å
599K77.1Confident68Low158 Ų158103 Ų10369%0.68749%0.488SS*.Hα-helixtrans-60.9-44.1174.9-74.9178.6-178.81800111.7A595 E596 Y597 H602 S603A595-K599 WeakPolarHBondContact O-CG 3.43Å; A595-K599 PolarHBondContact O-N 2.92Å; E596-K599 PolarHBondContact O-N 3.21Å; Y597-K599 PolarHBondContact O-N 3.45Å; K599-H602 PolarHBondContact O-N 3.34Å; K599-S603 WeakPolarHBondContact O-CB 3.49Å; K599-S603 PolarHBondContact O-N 3.39Å; K599-S603 PolarHBondContact O-OG 3.05Å
600Y75.4Confident66.1Low55 Ų55103.3 Ų103.322%0.21650%0.496CS..Hα-helixtrans-59.3-48.6176.4170.2-101000111.8I219 E596 Y597 H602 S603 R604I219-Y600 HydrophobicContact CB-CE1 4.5Å; I219-Y600 HydrophobicContact CD1-CD2 4.15Å; I219-Y600 HydrophobicContact CD1-CE2 4.35Å; I219-Y600 HydrophobicContact CD1-CG 4.43Å; E596-Y600 WeakPolarHBondContact O-CB 3.33Å; E596-Y600 PolarHBondContact O-N 3.41Å; Y597-Y600 WeakPolarHBondContact O-CB 3.37Å; Y597-Y600 PolarHBondContact O-N 2.91Å; Y600-H602 VanDerWaalsContact C-N 3.33Å; Y600-H602 PolarHBondContact O-N 3.02Å; Y600-S603 PolarHBondContact O-N 2.84Å; Y600-S603 PolarHBondContact O-OG 3.18Å; Y600-R604 PolarHBondContact O-N 3.08Å; Y600-R604 VanDerWaalsContact O-N 3.1Å; Y600-R604 PolarHBondContact OH-NE 3.14Å; Y600-R604 PolarHBondContact OH-NH2 3.01Å
601I72.4Confident63.7Low63 Ų63113 Ų11332%0.32355%0.545SS..Hα-helixtrans-60.5-42.9176.8-66.7-64.6000111.3Y597 R598 R604 K605Y597-I601 HydrophobicContact CD1-CG1 4.31Å; Y597-I601 HydrophobicContact CE1-CD1 4.44Å; Y597-I601 HydrophobicContact CE1-CG1 3.87Å; Y597-I601 HydrophobicContact CE2-CD1 4.25Å; Y597-I601 HydrophobicContact CE2-CG1 4.22Å; Y597-I601 WeakPolarHBondContact O-CG1 3.48Å; Y597-I601 PolarHBondContact O-N 2.96Å; R598-I601 PolarHBondContact O-N 3.42Å; I601-R604 PolarHBondContact O-N 3.06Å; I601-K605 PolarHBondContact O-N 3.33Å; I601-K605 VanDerWaalsContact O-N 3.17Å
602H70.7Confident63Low127 Ų127115.3 Ų115.359%0.58856%0.555SS**Hα-helixtrans-65.8-42.1179.1-160.573.5000112R598 K599 Y600 R604 K605 C606R598-H602 WeakPolarHBondContact O-CB 3.32Å; R598-H602 PolarHBondContact O-N 3.14Å; K599-H602 PolarHBondContact O-N 3.34Å; Y600-H602 VanDerWaalsContact C-N 3.33Å; Y600-H602 PolarHBondContact O-N 3.02Å; H602-R604 VanDerWaalsContact C-N 3.3Å; H602-R604 PolarHBondContact O-N 2.79Å; H602-K605 PolarHBondContact O-N 2.73Å; H602-K605 VanDerWaalsContact O-N 3.13Å; H602-C606 PolarHBondContact O-N 3.47Å; H602-C606 VanDerWaalsContact O-N 3.13Å; H602-C606 PolarHBondContact O-SG 3.26Å
603S68.3Low62.2Low57 Ų57114.4 Ų114.440%0.39955%0.554SS.*Hα-helixtrans-63-32.4176.374.10000113.6K599 Y600 R607K599-S603 WeakPolarHBondContact O-CB 3.49Å; K599-S603 PolarHBondContact O-N 3.39Å; K599-S603 PolarHBondContact O-OG 3.05Å; Y600-S603 PolarHBondContact O-N 2.84Å; Y600-S603 PolarHBondContact O-OG 3.18Å; S603-R607 PolarHBondContact O-N 3.45Å
604R60.3Low61.2Low142 Ų142115.7 Ų115.754%0.53656%0.561SS.*Hα-helixtrans-70-38.7172.9-84.8-169.7158.2-160.2-2.6112.3Y600 I601 H602 C606 R607 C608Y600-R604 PolarHBondContact O-N 3.08Å; Y600-R604 VanDerWaalsContact O-N 3.1Å; Y600-R604 PolarHBondContact OH-NE 3.14Å; Y600-R604 PolarHBondContact OH-NH2 3.01Å; I601-R604 PolarHBondContact O-N 3.06Å; H602-R604 VanDerWaalsContact C-N 3.3Å; H602-R604 PolarHBondContact O-N 2.79Å; R604-C606 VanDerWaalsContact C-N 3.32Å; R604-C606 PolarHBondContact O-N 2.97Å; R604-R607 PolarHBondContact O-N 3.47Å; R604-C608 PolarHBondContact O-N 2.75Å
605K53.8Low60.4Low148 Ų148120.6 Ų120.664%0.64358%0.584SS**Hα-helixtrans-63.5-37.5175.5-75.2-174.3175.8-173.80112I601 H602 C608I601-K605 PolarHBondContact O-N 3.33Å; I601-K605 VanDerWaalsContact O-N 3.17Å; H602-K605 PolarHBondContact O-N 2.73Å; H602-K605 VanDerWaalsContact O-N 3.13Å; K605-C608 PolarHBondContact O-N 2.94Å
606C46Very low59.4Low71 Ų71125.1 Ų125.148%0.4860%0.596SS.*Hα-helixtrans-69.8-30.1176.5-63.90000113.8H602 R604 C608H602-C606 PolarHBondContact O-N 3.47Å; H602-C606 VanDerWaalsContact O-N 3.13Å; H602-C606 PolarHBondContact O-SG 3.26Å; R604-C606 VanDerWaalsContact C-N 3.32Å; R604-C606 PolarHBondContact O-N 2.97Å; C606-C608 VanDerWaalsContact C-N 3.29Å; C606-C608 PolarHBondContact O-N 3.13Å
607R41Very low58.1Low207 Ų207124.6 Ų124.678%0.78159%0.594SS**Hα-helixtrans-74.3-15.3175.4-76.1-175.6179.5-176.50.4114.2S603 R604S603-R607 PolarHBondContact O-N 3.45Å; R604-R607 PolarHBondContact O-N 3.47Å
608C44Very low57Low98 Ų98129.5 Ų129.566%0.66262%0.621SS**THydrogen-bonded Turntrans-93.33.1177.3-67.50000113.6R604 K605 C606R604-C608 PolarHBondContact O-N 2.75Å; K605-C608 PolarHBondContact O-N 2.94Å; C606-C608 VanDerWaalsContact C-N 3.29Å; C606-C608 PolarHBondContact O-N 3.13Å
609L40.8Very low55.8Low150 Ų150126.5 Ų126.579%0.78562%0.62SS**SBendtrans-96.6-4.6174.5-80.9161.5000113.4
610V42.5Very low54Low128 Ų128123.9 Ų123.978%0.77662%0.615SS**  trans-126.372171.8-171.20000108
611M32.9Very low52.1Low241 Ų241130.2 Ų130.2100%1.18765%0.651SS**  trans-150.40155.1-96.9-162.1-62.600108.5

Retrieved 611 of 611 residues in 116 ms (Link to these results)

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