A0A096MXT0_PAPAN Loading...

Voltage-gated potassium channel regulatory subunit KCNG2

Regulatory alpha-subunit of the voltage-gated potassium (Kv) channel which, when coassembled with KCNB1, can modulate the kinetics and conductance-voltage relationship. Modulates channel activity by shifting the threshold and the half-maximal activation to more negative values. Potassium channel subunit that does not form functional channels by itself.

AlphaFold DB , UniProt , Accession A0A096MXT0, Species PAPAN (Papio anubis, Olive baboon), Gene KCNG2, Length 467 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M31.6Very low38.6Very low241 Ų241113.9 Ų113.9100%1.18776%0.757SS**  01080-83.1171.9171.400107.4
2E33Very low38.1Very low154 Ų154110.5 Ų110.572%0.7276%0.757SS**PPolyproline II helixtrans-72.8149.2-176.6-67.9-162119.600111.6
3P40.2Very low38.1Very low83 Ų83109.2 Ų109.254%0.53977%0.772SS.*PPolyproline II helixtrans-69.3134.4173.426.4-30.5000111.5
4W40.7Very low37.9Very low148 Ų148106.1 Ų106.156%0.56177%0.766SS**SBendtrans-56.7152.2170-90.568.7000112.3
5P47.7Very low38.2Very low44 Ų44109.4 Ų109.429%0.28678%0.778SS.*PPolyproline II helixcis-95.81487.930-18.9000113.6Y63P5-Y63 HydrophobicContact CB-CE1 4.5Å; P5-Y63 VanDerWaalsContact CB-OH 3.29Å; P5-Y63 WeakPolarHBondContact CB-OH 3.42Å; P5-Y63 WeakPolarHBondContact CG-OH 3.29Å
6C43.2Very low39.1Very low97 Ų97117.4 Ų117.466%0.65579%0.786SS**PPolyproline II helixtrans-99.8127.3175.7-750000111.4
7S45.3Very low40.3Very low123 Ų123114.3 Ų114.386%0.8677%0.771SS**  -153.4133.3125.465.50000111.5
8A43.3Very low42.5Very low109 Ų109118.3 Ų118.390%0.90177%0.767SS**  trans-86.4163.2-171.800000113.8
9G32.5Very low44.5Very low84 Ų84117.3 Ų117.387%0.86675%0.751SS**  trans146.5113.1149.600000116.9
10G30Very low46.6Very low81 Ų81111.6 Ų111.684%0.83571%0.714SS**  trans119.9100.2152.800000115.4
11G37.6Very low48.7Very low89 Ų89108.3 Ų108.392%0.91869%0.691SS**  trans-64.2153.6176.600000114.3
12G32.1Very low51.4Low73 Ų7396.8 Ų96.875%0.75363%0.634SS**  trans148.6118.8175.900000110.1
13G38.1Very low54.1Low93 Ų9389.9 Ų89.996%0.95960%0.602SS**SBendtrans-56.8138-16800000114.7
14G35.6Very low56.5Low66 Ų6686 Ų8668%0.6858%0.576SS**  trans142.1108.3176.700000109.9R16G14-R16 PolarHBondContact O-N 2.85Å
15T42.2Very low58.6Low156 Ų15680.3 Ų80.396%0.95756%0.564SS**  trans-6478.2175.7360000110.8A17T15-A17 PolarHBondContact O-N 3.04Å
16R51.9Low60.4Low238 Ų23880.9 Ų80.990%0.89858%0.578SS**PPolyproline II helixtrans-62.2122170.4-90.8-178.5170.1172.5-1.9108.5G14 R18G14-R16 PolarHBondContact O-N 2.85Å; R16-R18 PolarHBondContact O-N 2.9Å
17A60.3Low62.4Low64 Ų6477.2 Ų77.253%0.52955%0.553SS.*PPolyproline II helixtrans-57.7121.4174.100000109T15 H19T15-A17 PolarHBondContact O-N 3.04Å; A17-H19 PolarHBondContact O-CD2 3.37Å; A17-H19 PolarHBondContact O-N 3.39Å; A17-H19 PolarHBondContact O-NE2 3.42Å
18R79.6Confident64.5Low187 Ų18778 Ų7871%0.70654%0.538SS*.PPolyproline II helixtrans-62.9133.2173.2-70.9-178.2175.3177.5-2.1108.8R16 W33R16-R18 PolarHBondContact O-N 2.9Å; R18-W33 HydrophobicContact CB-CB 3.88Å; R18-W33 WeakPolarHBondContact O-CB 3.4Å; R18-W33 PolarHBondContact O-N 3.35Å
19H81.4Confident66.6Low98 Ų9873.3 Ų73.345%0.45450%0.497SS..EExtended strand (participates in β ladder)trans-121.6153.3-179.1-72.1-73.4000111.2A17 R30 L31A17-H19 PolarHBondContact O-CD2 3.37Å; A17-H19 PolarHBondContact O-N 3.39Å; A17-H19 PolarHBondContact O-NE2 3.42Å; H19-R30 HydrophobicContact CB-CG 3.97Å; H19-L31 CarbonylContact C-O 3.59Å; H19-L31 VanDerWaalsContact CA-O 3.26Å; H19-L31 WeakPolarHBondContact CA-O 3.29Å; H19-L31 PolarHBondContact ND1-O 3.5Å
20V86.7Confident69.2Low3 Ų378 Ų782%0.01849%0.489CS..EExtended strand (participates in β ladder)trans-122.5142.4174.9176.70000109.5I22 R30 L31 W33 L36 F70V20-I22 HydrophobicContact CG1-CG1 4.17Å; V20-R30 WeakPolarHBondContact O-CA 3.43Å; V20-L31 PolarHBondContact N-O 3.43Å; V20-L31 PolarHBondContact O-N 3.02Å; V20-W33 HydrophobicContact CG2-CD2 4.14Å; V20-W33 HydrophobicContact CG2-CE3 3.04Å; V20-W33 HydrophobicContact CG2-CZ3 3.36Å; V20-L36 HydrophobicContact CG2-CD1 4.12Å; V20-F70 HydrophobicContact CG1-CD2 3.4Å; V20-F70 VanDerWaalsContact CG1-CD2 3.4Å; V20-F70 HydrophobicContact CG1-CE2 3.46Å; V20-F70 VanDerWaalsContact CG1-CE2 3.46Å
21I88.8Confident71.7Confident43 Ų4375.4 Ų75.422%0.22146%0.456CS..EExtended strand (participates in β ladder)trans-102.5122.3172.7-56.4176.6000109E69 F70I21-E69 HydrophobicContact CB-CB 3.97Å; I21-E69 HydrophobicContact CG2-CB 3.78Å; I21-E69 WeakPolarHBondContact O-CA 3.32Å; I21-F70 PolarHBondContact O-N 3.47Å
22I89.1Confident73.8Confident0 Ų072.7 Ų72.70%043%0.425CS..EExtended strand (participates in β ladder)trans-110.3119.3174.3-59.2174.8000107.5V20 V24 R28 V29 L31 L44 F72 F79V20-I22 HydrophobicContact CG1-CG1 4.17Å; I22-V24 HydrophobicContact CG2-CG2 3.87Å; I22-R28 CarbonylContact O-C 3.56Å; I22-R28 WeakPolarHBondContact O-CA 3.34Å; I22-V29 PolarHBondContact N-O 2.98Å; I22-V29 PolarHBondContact O-N 2.95Å; I22-L31 HydrophobicContact CD1-CD1 3.6Å; I22-L31 HydrophobicContact CD1-CG 4.4Å; I22-L44 HydrophobicContact CD1-CD1 3.56Å; I22-L44 HydrophobicContact CD1-CD2 3.66Å; I22-L44 HydrophobicContact CD1-CG 4.2Å; I22-L44 HydrophobicContact CG2-CD2 4.44Å; I22-F72 HydrophobicContact CG2-CD2 3.9Å; I22-F72 HydrophobicContact CG2-CE2 3.78Å; I22-F79 HydrophobicContact CG2-CZ 4.02Å
23N90.7Very high76.1Confident9 Ų972 Ų725%0.04840%0.4CS..EExtended strand (participates in β ladder)trans-110111.2179.1-175.10.1000109.5G26 R28 E69 F70 F71 F72N23-G26 WeakPolarHBondContact OD1-CA 3.41Å; N23-G26 PolarHBondContact OD1-N 2.91Å; N23-R28 HydrophobicContact CB-CG 4.15Å; N23-E69 PolarHBondContact ND2-OE1 3.42Å; N23-F70 PolarHBondContact N-O 3.49Å; N23-F71 HydrophobicContact CB-CD2 4.14Å; N23-F71 CarbonylContact O-C 3.57Å; N23-F71 VanDerWaalsContact O-CA 3.32Å; N23-F71 WeakPolarHBondContact O-CA 3.31Å; N23-F72 PolarHBondContact O-N 2.94Å
24V90.3Very high78Confident0 Ų071.4 Ų71.40%039%0.385CS..EExtended strand (participates in β ladder)trans-113.2105.2178.4-173.50000109.6I22 G26 C27 F72 R74 F79 W109I22-V24 HydrophobicContact CG2-CG2 3.87Å; V24-G26 PolarHBondContact O-N 2.97Å; V24-G26 VanDerWaalsContact O-N 3.12Å; V24-C27 PolarHBondContact N-O 3.47Å; V24-C27 VanDerWaalsContact O-CB 3.27Å; V24-C27 WeakPolarHBondContact O-CB 3.38Å; V24-C27 PolarHBondContact O-N 3.44Å; V24-F72 CarbonylContact C-O 3.53Å; V24-F72 WeakPolarHBondContact CA-O 3.4Å; V24-F72 HydrophobicContact CB-CB 4.45Å; V24-F72 HydrophobicContact CG1-CB 4.24Å; V24-F72 HydrophobicContact CG2-CB 4.08Å; V24-F72 HydrophobicContact CG2-CD2 4.21Å; V24-F72 HydrophobicContact CG2-CG 4.41Å; V24-R74 HydrophobicContact CG1-CB 3.78Å; V24-F79 HydrophobicContact CB-CB 4.04Å; V24-F79 HydrophobicContact CB-CD1 3.58Å; V24-F79 HydrophobicContact CB-CD2 4.19Å; V24-F79 HydrophobicContact CB-CE1 4Å; V24-F79 HydrophobicContact CB-CG 3.67Å; V24-F79 HydrophobicContact CB-CZ 4.49Å; V24-F79 HydrophobicContact CG1-CB 3.84Å; V24-F79 HydrophobicContact CG1-CD1 4.31Å; V24-F79 HydrophobicContact CG1-CD2 4.25Å; V24-F79 HydrophobicContact CG1-CG 3.89Å; V24-F79 HydrophobicContact CG2-CB 4.48Å; V24-F79 HydrophobicContact CG2-CD1 3.49Å; V24-F79 VanDerWaalsContact CG2-CD1 3.49Å; V24-F79 HydrophobicContact CG2-CD2 3.71Å; V24-F79 HydrophobicContact CG2-CE1 3.41Å; V24-F79 VanDerWaalsContact CG2-CE1 3.41Å; V24-F79 HydrophobicContact CG2-CE2 3.65Å; V24-F79 HydrophobicContact CG2-CG 3.63Å; V24-F79 HydrophobicContact CG2-CZ 3.5Å; V24-F79 VanDerWaalsContact CG2-CZ 3.5Å; V24-W109 HydrophobicContact CG1-CH2 4.5Å; V24-W109 HydrophobicContact CG1-CZ2 3.91Å; V24-W109 HydrophobicContact CG2-CH2 3.7Å; V24-W109 HydrophobicContact CG2-CZ2 3.87Å
25G84.6Confident79.8Confident30 Ų3070.4 Ų70.431%0.30937%0.371SS..THydrogen-bonded Turntrans52.235.1-179.200000113.6F72G25-F72 PolarHBondContact N-O 3.34Å
26G84.4Confident81.4Confident56 Ų5663 Ų6358%0.57733%0.325SS*.THydrogen-bonded Turntrans91.8-7.9-175.900000115.3N23 V24 R28N23-G26 WeakPolarHBondContact OD1-CA 3.41Å; N23-G26 PolarHBondContact OD1-N 2.91Å; V24-G26 PolarHBondContact O-N 2.97Å; V24-G26 VanDerWaalsContact O-N 3.12Å; G26-R28 PolarHBondContact O-N 3.02Å
27C86.3Confident82.2Confident20 Ų2053.8 Ų53.814%0.13530%0.3CS..EExtended strand (participates in β ladder)trans-84.2101.7173.2-172.10000110.5V24 P76 F79V24-C27 PolarHBondContact N-O 3.47Å; V24-C27 VanDerWaalsContact O-CB 3.27Å; V24-C27 WeakPolarHBondContact O-CB 3.38Å; V24-C27 PolarHBondContact O-N 3.44Å; C27-P76 HydrophobicContact CB-CB 3.92Å; C27-F79 HydrophobicContact CB-CD1 4.3Å
28R89Confident82.6Confident140 Ų14061.7 Ų61.753%0.52832%0.316SS..EExtended strand (participates in β ladder)trans-87.2130.7179.9-65.3179.5170.6146.93.2112.5I22 N23 G26 E69I22-R28 CarbonylContact O-C 3.56Å; I22-R28 WeakPolarHBondContact O-CA 3.34Å; N23-R28 HydrophobicContact CB-CG 4.15Å; G26-R28 PolarHBondContact O-N 3.02Å; R28-E69 IonicContact CZ-OE2 3.76Å; R28-E69 IonicContact NE-OE2 3.56Å; R28-E69 PolarHBondContact NE-OE2 2.87Å; R28-E69 IonicContact NH2-OE1 3.42Å; R28-E69 IonicContact NH2-OE2 3.53Å; R28-E69 PolarHBondContact NH2-OE2 3.44Å
29V87Confident82.3Confident9 Ų953.3 Ų53.36%0.05529%0.286CS..EExtended strand (participates in β ladder)trans-130.9128.1176.1-179.50000109.6I22 L31 F79 V83I22-V29 PolarHBondContact N-O 2.98Å; I22-V29 PolarHBondContact O-N 2.95Å; V29-L31 HydrophobicContact CG1-CD2 3.93Å; V29-L31 HydrophobicContact CG1-CG 4.09Å; V29-F79 HydrophobicContact CB-CE1 4.33Å; V29-F79 HydrophobicContact CG2-CD1 4.44Å; V29-F79 HydrophobicContact CG2-CE1 3.67Å; V29-F79 HydrophobicContact CG2-CZ 4.49Å; V29-V83 HydrophobicContact CG1-CG1 4.42Å; V29-V83 HydrophobicContact CG2-CG1 4.16Å; V29-V83 HydrophobicContact CG2-CG2 3.61Å
30R87Confident81.7Confident182 Ų18251 Ų5169%0.68728%0.279SS*.EExtended strand (participates in β ladder)trans-93.6121.7174-169.8176.7-67.4155.5-0.2109.5H19 V20H19-R30 HydrophobicContact CB-CG 3.97Å; V20-R30 WeakPolarHBondContact O-CA 3.43Å
31L82.2Confident81.4Confident28 Ų2850.8 Ų50.815%0.14728%0.279CS..EExtended strand (participates in β ladder)trans-117.9148.2175.5-63.2179.8000109.8H19 V20 I22 V29 L36 L44 L86H19-L31 CarbonylContact C-O 3.59Å; H19-L31 VanDerWaalsContact CA-O 3.26Å; H19-L31 WeakPolarHBondContact CA-O 3.29Å; H19-L31 PolarHBondContact ND1-O 3.5Å; V20-L31 PolarHBondContact N-O 3.43Å; V20-L31 PolarHBondContact O-N 3.02Å; I22-L31 HydrophobicContact CD1-CD1 3.6Å; I22-L31 HydrophobicContact CD1-CG 4.4Å; V29-L31 HydrophobicContact CG1-CD2 3.93Å; V29-L31 HydrophobicContact CG1-CG 4.09Å; L31-L36 HydrophobicContact CD1-CD2 4.31Å; L31-L44 HydrophobicContact CD1-CD1 4.46Å; L31-L86 HydrophobicContact CD1-CD1 4.33Å; L31-L86 HydrophobicContact CD2-CD1 4.3Å
32A83.1Confident81Confident31 Ų3151.1 Ų51.126%0.25629%0.287SS..EExtended strand (participates in β ladder)trans-71139.2168.200000109.5A34 A35 L36A32-A34 PolarHBondContact O-N 3.37Å; A32-A35 HydrophobicContact CB-CB 4.12Å; A32-A35 WeakPolarHBondContact O-CA 3.4Å; A32-A35 VanDerWaalsContact O-CB 3.28Å; A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 2.91Å; A32-L36 PolarHBondContact O-N 3.49Å
33W80.4Confident80.8Confident60 Ų6054.6 Ų54.623%0.22730%0.3CS..Hα-helixtrans-56-37.9177.9-171.1-88.3000111.4R18 V20 A35 L36 R48R18-W33 HydrophobicContact CB-CB 3.88Å; R18-W33 WeakPolarHBondContact O-CB 3.4Å; R18-W33 PolarHBondContact O-N 3.35Å; V20-W33 HydrophobicContact CG2-CD2 4.14Å; V20-W33 HydrophobicContact CG2-CE3 3.04Å; V20-W33 HydrophobicContact CG2-CZ3 3.36Å; W33-A35 VanDerWaalsContact C-N 3.29Å; W33-A35 PolarHBondContact O-N 3.35Å; W33-L36 HydrophobicContact CD2-CD1 4.33Å; W33-L36 HydrophobicContact CE3-CD1 4.29Å; W33-L36 HydrophobicContact CZ3-CD1 4.47Å; W33-L36 WeakPolarHBondContact O-CB 3.35Å; W33-L36 PolarHBondContact O-N 3.08Å; W33-R48 HydrophobicContact CZ2-CG 4.44Å
34A77.7Confident80.4Confident80 Ų8054.1 Ų54.166%0.66130%0.298SS*.Hα-helixtrans-65.6-28.4174.500000113.6A32 L36 A37A32-A34 PolarHBondContact O-N 3.37Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 PolarHBondContact O-N 2.96Å; A34-A37 PolarHBondContact O-N 3.46Å
35A73.6Confident80Confident45 Ų4559 Ų5937%0.37232%0.321SS..Hα-helixtrans-74.1-18.4178.400000112.6A32 W33 A37 R38 C39A32-A35 HydrophobicContact CB-CB 4.12Å; A32-A35 WeakPolarHBondContact O-CA 3.4Å; A32-A35 VanDerWaalsContact O-CB 3.28Å; A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 2.91Å; W33-A35 VanDerWaalsContact C-N 3.29Å; W33-A35 PolarHBondContact O-N 3.35Å; A35-A37 VanDerWaalsContact C-N 3.26Å; A35-A37 PolarHBondContact O-N 3.47Å; A35-R38 CarbonylContact O-C 3.53Å; A35-R38 PolarHBondContact O-N 2.89Å; A35-C39 PolarHBondContact O-N 2.9Å; A35-C39 VanDerWaalsContact O-N 3.08Å
36L76.1Confident79.8Confident1 Ų164.5 Ų64.51%0.00533%0.332CS..Hα-helixtrans-62.6-34173.8-67.7173.2000112V20 L31 A32 W33 A34 R38 C39 L44V20-L36 HydrophobicContact CG2-CD1 4.12Å; L31-L36 HydrophobicContact CD1-CD2 4.31Å; A32-L36 PolarHBondContact O-N 3.49Å; W33-L36 HydrophobicContact CD2-CD1 4.33Å; W33-L36 HydrophobicContact CE3-CD1 4.29Å; W33-L36 HydrophobicContact CZ3-CD1 4.47Å; W33-L36 WeakPolarHBondContact O-CB 3.35Å; W33-L36 PolarHBondContact O-N 3.08Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 PolarHBondContact O-N 2.96Å; L36-R38 PolarHBondContact O-N 2.87Å; L36-C39 VanDerWaalsContact O-CB 3.23Å; L36-C39 WeakPolarHBondContact O-CB 3.41Å; L36-C39 PolarHBondContact O-N 3.41Å; L36-L44 HydrophobicContact CD2-CB 4.31Å
37A69.1Low79.7Confident44 Ų4462.2 Ų62.236%0.36431%0.307SS..THydrogen-bonded Turntrans-69.1-20.8178.900000113.9A34 A35A34-A37 PolarHBondContact O-N 3.46Å; A35-A37 VanDerWaalsContact C-N 3.26Å; A35-A37 PolarHBondContact O-N 3.47Å
38R68.5Low79.2Confident229 Ų22968.1 Ų68.186%0.86433%0.326SS*.THydrogen-bonded Turntrans-112.512.5177-61.4177.467.2-1731.8110.9A35 L36 P40A35-R38 CarbonylContact O-C 3.53Å; A35-R38 PolarHBondContact O-N 2.89Å; L36-R38 PolarHBondContact O-N 2.87Å; R38-P40 WeakPolarHBondContact O-CD 3.25Å
39C71.6Confident78.4Confident12 Ų1264.7 Ų64.78%0.08133%0.328CS..  trans-74.4125.2-174.8-163.60000108.3A35 L36 L41A35-C39 PolarHBondContact O-N 2.9Å; A35-C39 VanDerWaalsContact O-N 3.08Å; L36-C39 VanDerWaalsContact O-CB 3.23Å; L36-C39 WeakPolarHBondContact O-CB 3.41Å; L36-C39 PolarHBondContact O-N 3.41Å; C39-L41 PolarHBondContact O-N 2.89Å
40P70.1Confident78Confident48 Ų4865 Ų6531%0.31233%0.33SS..SBendtrans-75.418.2178.236.2-40.4000112.9R38 L86 R115R38-P40 WeakPolarHBondContact O-CD 3.25Å; P40-L86 HydrophobicContact CG-CD2 3.69Å; P40-R115 VanDerWaalsContact CB-NH2 3.33Å
41L80.8Confident77.3Confident0 Ų065.2 Ų65.20%033%0.331CS..  trans-113.296-179.4-55.5177.5000107.2C39 R43 L44 E45 I82 L86 W109 I111C39-L41 PolarHBondContact O-N 2.89Å; L41-R43 PolarHBondContact O-N 3.42Å; L41-R43 VanDerWaalsContact O-N 3.09Å; L41-L44 HydrophobicContact CB-CB 4.13Å; L41-L44 HydrophobicContact CB-CD1 4.06Å; L41-L44 HydrophobicContact CB-CG 4.14Å; L41-L44 HydrophobicContact CD1-CD1 3.46Å; L41-L44 VanDerWaalsContact CD1-CD1 3.46Å; L41-L44 HydrophobicContact CD1-CG 4.36Å; L41-L44 HydrophobicContact CG-CD1 4.35Å; L41-L44 PolarHBondContact O-N 3.12Å; L41-E45 PolarHBondContact O-N 3.36Å; L41-E45 VanDerWaalsContact O-N 3.11Å; L41-I82 HydrophobicContact CD1-CG2 3.78Å; L41-I82 HydrophobicContact CD2-CG2 3.56Å; L41-I82 HydrophobicContact CG-CG2 4.35Å; L41-L86 HydrophobicContact CD1-CD1 3.86Å; L41-L86 HydrophobicContact CD1-CD2 3.94Å; L41-L86 HydrophobicContact CD1-CG 4.16Å; L41-L86 HydrophobicContact CG-CD2 4.15Å; L41-W109 CarbonylContact C-O 3.6Å; L41-W109 WeakPolarHBondContact CA-O 3.4Å; L41-W109 HydrophobicContact CD2-CB 4.13Å; L41-I111 HydrophobicContact CD2-CD1 3.35Å; L41-I111 HydrophobicContact CD2-CG1 3.4Å
42A79.9Confident76.8Confident49 Ų4965.2 Ų65.241%0.40534%0.338SS..Hα-helixtrans-56.1-31.5-173.600000112.5R46 W109A42-R46 WeakPolarHBondContact O-CG 3.44Å; A42-R46 PolarHBondContact O-N 3.09Å; A42-W109 PolarHBondContact N-O 3.48Å
43R84.4Confident76.4Confident73 Ų7368.3 Ų68.328%0.27535%0.347SS..Hα-helixtrans-68.8-40176.4-172.9175.9-68.6-126.51113L41 R46 V59 Y108L41-R43 PolarHBondContact O-N 3.42Å; L41-R43 VanDerWaalsContact O-N 3.09Å; R43-R46 WeakPolarHBondContact O-CB 3.45Å; R43-R46 PolarHBondContact O-N 3.14Å; R43-V59 HydrophobicContact CG-CG1 4.06Å; R43-V59 WeakPolarHBondContact O-CG1 3.41Å; R43-Y108 VanDerWaalsContact CZ-CD2 3.45Å; R43-Y108 VanDerWaalsContact CZ-CZ 3.48Å; R43-Y108 PolarHBondContact NE-O 2.83Å; R43-Y108 PolarHBondContact NH1-OH 3.43Å; R43-Y108 PolarHBondContact NH2-O 3.37Å
44L82.9Confident76Confident0 Ų071.3 Ų71.30%037%0.368CS..Hα-helixtrans-75.3-29.5179.5-67.6-178.1000112.4I22 L31 L36 L41 R46 L47 F72 W109I22-L44 HydrophobicContact CD1-CD1 3.56Å; I22-L44 HydrophobicContact CD1-CD2 3.66Å; I22-L44 HydrophobicContact CD1-CG 4.2Å; I22-L44 HydrophobicContact CG2-CD2 4.44Å; L31-L44 HydrophobicContact CD1-CD1 4.46Å; L36-L44 HydrophobicContact CD2-CB 4.31Å; L41-L44 HydrophobicContact CB-CB 4.13Å; L41-L44 HydrophobicContact CB-CD1 4.06Å; L41-L44 HydrophobicContact CB-CG 4.14Å; L41-L44 HydrophobicContact CD1-CD1 3.46Å; L41-L44 VanDerWaalsContact CD1-CD1 3.46Å; L41-L44 HydrophobicContact CD1-CG 4.36Å; L41-L44 HydrophobicContact CG-CD1 4.35Å; L41-L44 PolarHBondContact O-N 3.12Å; L44-R46 PolarHBondContact O-N 2.83Å; L44-L47 HydrophobicContact CD2-CD1 3.76Å; L44-L47 WeakPolarHBondContact O-CB 3.38Å; L44-L47 PolarHBondContact O-N 3.38Å; L44-F72 HydrophobicContact CD2-CE2 4.18Å; L44-F72 HydrophobicContact CD2-CZ 3.84Å; L44-W109 HydrophobicContact CD1-CZ3 4.4Å; L44-W109 HydrophobicContact CD2-CE3 4.48Å; L44-W109 HydrophobicContact CD2-CZ3 3.77Å; L44-W109 HydrophobicContact CG-CE3 4.21Å; L44-W109 HydrophobicContact CG-CZ3 3.97Å
45E81.1Confident76Confident102 Ų10271.8 Ų71.848%0.47736%0.356SS..Hα-helixtrans-59.4-38.8171.7-172.3-175.3173.300111.3L41 L47 R48L41-E45 PolarHBondContact O-N 3.36Å; L41-E45 VanDerWaalsContact O-N 3.11Å; E45-L47 PolarHBondContact O-N 3.32Å; E45-R48 WeakPolarHBondContact O-CB 3.21Å; E45-R48 PolarHBondContact O-N 3.14Å; E45-R48 VanDerWaalsContact O-N 3.12Å
46R81.7Confident76.3Confident146 Ų14670.7 Ų70.755%0.55134%0.344SS*.Hα-helixtrans-61.2-25.1179-73177.157.4179-6.1114A42 R43 L44 R48 A49 C50 V59A42-R46 WeakPolarHBondContact O-CG 3.44Å; A42-R46 PolarHBondContact O-N 3.09Å; R43-R46 WeakPolarHBondContact O-CB 3.45Å; R43-R46 PolarHBondContact O-N 3.14Å; L44-R46 PolarHBondContact O-N 2.83Å; R46-R48 PolarHBondContact O-N 2.72Å; R46-R48 VanDerWaalsContact O-N 3.17Å; R46-A49 WeakPolarHBondContact O-CB 3.35Å; R46-A49 PolarHBondContact O-N 2.87Å; R46-C50 PolarHBondContact O-N 2.97Å; R46-C50 PolarHBondContact O-SG 2.88Å; R46-C50 VanDerWaalsContact O-SG 3.37Å; R46-V59 HydrophobicContact CB-CG1 4.39Å; R46-V59 HydrophobicContact CB-CG2 4.23Å
47L80.6Confident76.4Confident7 Ų774.3 Ų74.34%0.03736%0.363CS..THydrogen-bonded Turntrans-57.9-29.9176.2-69.4171000112.2L44 E45 A49 L56 V59 F70 F72L44-L47 HydrophobicContact CD2-CD1 3.76Å; L44-L47 WeakPolarHBondContact O-CB 3.38Å; L44-L47 PolarHBondContact O-N 3.38Å; E45-L47 PolarHBondContact O-N 3.32Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.3Å; L47-L56 HydrophobicContact CD2-CD1 4.03Å; L47-V59 HydrophobicContact CD2-CB 3.99Å; L47-V59 HydrophobicContact CD2-CG1 3.53Å; L47-V59 HydrophobicContact CG-CG1 3.84Å; L47-F70 HydrophobicContact CD2-CD1 4.19Å; L47-F70 HydrophobicContact CD2-CE1 4.46Å; L47-F72 HydrophobicContact CD1-CZ 4.37Å
48R75.6Confident76.8Confident144 Ų14481.4 Ų81.454%0.54338%0.38SS..THydrogen-bonded Turntrans-71.5-26.5177.7-172.3-179.2172.6-165.9-0.6112.9W33 E45 R46W33-R48 HydrophobicContact CZ2-CG 4.44Å; E45-R48 WeakPolarHBondContact O-CB 3.21Å; E45-R48 PolarHBondContact O-N 3.14Å; E45-R48 VanDerWaalsContact O-N 3.12Å; R46-R48 PolarHBondContact O-N 2.72Å; R46-R48 VanDerWaalsContact O-N 3.17Å
49A73.8Confident77.4Confident69 Ų6970.8 Ų70.857%0.5734%0.34SS*.THydrogen-bonded Turntrans-83.6-18.2-178.100000112.5R46 L47 R51R46-A49 WeakPolarHBondContact O-CB 3.35Å; R46-A49 PolarHBondContact O-N 2.87Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.3Å; A49-R51 PolarHBondContact O-N 2.96Å
50C78.4Confident78Confident14 Ų1470.2 Ų70.210%0.09534%0.337CS..  trans-67.8127.3179.8-610000110.9R46 E55 L56R46-C50 PolarHBondContact O-N 2.97Å; R46-C50 PolarHBondContact O-SG 2.88Å; R46-C50 VanDerWaalsContact O-SG 3.37Å; C50-E55 HydrophobicContact CB-CB 4.18Å; C50-E55 PolarHBondContact SG-O 3.18Å; C50-E55 VanDerWaalsContact SG-O 3.35Å; C50-L56 HydrophobicContact CB-CD1 4.24Å
51R71.5Confident78.7Confident187 Ų18772.1 Ų72.171%0.70634%0.344SS*.  trans-115.3-8.9179.4-63.7-173.9179.5-158.20.4113.7A49 E55A49-R51 PolarHBondContact O-N 2.96Å; R51-E55 PolarHBondContact N-OE2 2.9Å
52G72.8Confident78.8Confident29 Ų2976.4 Ų76.430%0.29937%0.367SS..SBendtrans-141.6163.4178.700000112.9D54 E55 L56G52-D54 VanDerWaalsContact C-N 3.33Å; G52-D54 PolarHBondContact O-N 3.13Å; G52-E55 PolarHBondContact O-N 3.13Å; G52-L56 PolarHBondContact O-N 3.4Å; G52-L56 VanDerWaalsContact O-N 3.13Å
53H72.8Confident79Confident95 Ų9575.1 Ų75.144%0.4435%0.352SS..Hα-helixtrans-60.4-39.5-177.3-170.372.8000112.5E55 L56 L57H53-E55 VanDerWaalsContact C-N 3.32Å; H53-E55 PolarHBondContact O-N 3.1Å; H53-L56 VanDerWaalsContact O-CB 3.29Å; H53-L56 WeakPolarHBondContact O-CB 3.4Å; H53-L56 PolarHBondContact O-N 3.38Å; H53-L56 VanDerWaalsContact O-N 3.1Å; H53-L57 PolarHBondContact O-N 3.04Å
54D73.1Confident79Confident124 Ų12473.8 Ų73.866%0.66335%0.35SS*.Hα-helixtrans-65.5-32.5177.1-67.8-19.2000113.4G52 L56 R58G52-D54 VanDerWaalsContact C-N 3.33Å; G52-D54 PolarHBondContact O-N 3.13Å; D54-L56 VanDerWaalsContact C-N 3.32Å; D54-R58 WeakPolarHBondContact O-CG 3.43Å
55E77Confident78.8Confident90 Ų9079.2 Ų79.242%0.42138%0.383SS..Hα-helixtrans-75.6-27.3175.1-65.5-178160.100111.7C50 R51 G52 H53C50-E55 HydrophobicContact CB-CB 4.18Å; C50-E55 PolarHBondContact SG-O 3.18Å; C50-E55 VanDerWaalsContact SG-O 3.35Å; R51-E55 PolarHBondContact N-OE2 2.9Å; G52-E55 PolarHBondContact O-N 3.13Å; H53-E55 VanDerWaalsContact C-N 3.32Å; H53-E55 PolarHBondContact O-N 3.1Å
56L79.6Confident78.7Confident21 Ų2179.3 Ų79.311%0.1140%0.395CS..Hα-helixtrans-71.7-46.3178.2-166.674.7000111.1L47 C50 G52 H53 D54 R58 V59 C60 Y63 F70L47-L56 HydrophobicContact CD2-CD1 4.03Å; C50-L56 HydrophobicContact CB-CD1 4.24Å; G52-L56 PolarHBondContact O-N 3.4Å; G52-L56 VanDerWaalsContact O-N 3.13Å; H53-L56 VanDerWaalsContact O-CB 3.29Å; H53-L56 WeakPolarHBondContact O-CB 3.4Å; H53-L56 PolarHBondContact O-N 3.38Å; H53-L56 VanDerWaalsContact O-N 3.1Å; D54-L56 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.39Å; L56-R58 VanDerWaalsContact O-N 3.13Å; L56-V59 PolarHBondContact O-N 2.92Å; L56-C60 PolarHBondContact O-N 3.3Å; L56-C60 PolarHBondContact O-SG 3.25Å; L56-C60 VanDerWaalsContact O-SG 3.35Å; L56-Y63 HydrophobicContact CD2-CD1 4.01Å; L56-Y63 HydrophobicContact CD2-CD2 4.35Å; L56-Y63 HydrophobicContact CD2-CG 3.74Å; L56-F70 HydrophobicContact CD1-CD1 3.98Å; L56-F70 HydrophobicContact CD1-CE1 3.37Å; L56-F70 HydrophobicContact CD1-CZ 4.33Å; L56-F70 HydrophobicContact CD2-CD1 4.31Å; L56-F70 HydrophobicContact CD2-CE1 3.81Å; L56-F70 HydrophobicContact CG-CD1 4.36Å; L56-F70 HydrophobicContact CG-CE1 4Å
57L78.4Confident78.5Confident77 Ų7779.3 Ų79.340%0.40340%0.395SS..THydrogen-bonded Turntrans-64.7-13.5175.6-67.5174.2000113.6H53 V59 C60H53-L57 PolarHBondContact O-N 3.04Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-C60 CarbonylContact C-O 3.58Å; L57-C60 WeakPolarHBondContact CA-O 3.28Å
58R78.9Confident78.6Confident194 Ų19482.2 Ų82.273%0.73241%0.411SS*.THydrogen-bonded Turntrans-80.8-13.3170.1-72.3175.4179.3-176.20.4113.4D54 L56D54-R58 WeakPolarHBondContact O-CG 3.43Å; L56-R58 PolarHBondContact O-N 3.39Å; L56-R58 VanDerWaalsContact O-N 3.13Å
59V80.3Confident79.2Confident5 Ų576 Ų763%0.0339%0.388CS..THydrogen-bonded Turntrans-113.3-45.5-175.1-177.50000111.1R43 R46 L47 L56 L57 F72R43-V59 HydrophobicContact CG-CG1 4.06Å; R43-V59 WeakPolarHBondContact O-CG1 3.41Å; R46-V59 HydrophobicContact CB-CG1 4.39Å; R46-V59 HydrophobicContact CB-CG2 4.23Å; L47-V59 HydrophobicContact CD2-CB 3.99Å; L47-V59 HydrophobicContact CD2-CG1 3.53Å; L47-V59 HydrophobicContact CG-CG1 3.84Å; L56-V59 PolarHBondContact O-N 2.92Å; L57-V59 VanDerWaalsContact C-N 3.32Å; V59-F72 VanDerWaalsContact O-CE1 3.25Å; V59-F72 WeakPolarHBondContact O-CE1 3.4Å
60C84.1Confident79.9Confident1 Ų173 Ų731%0.00736%0.362CS..  trans-113.3159.5174.1640000111.4L56 L57 F70 F72L56-C60 PolarHBondContact O-N 3.3Å; L56-C60 PolarHBondContact O-SG 3.25Å; L56-C60 VanDerWaalsContact O-SG 3.35Å; L57-C60 CarbonylContact C-O 3.58Å; L57-C60 WeakPolarHBondContact CA-O 3.28Å; C60-F70 HydrophobicContact CB-CB 4.45Å; C60-F72 HydrophobicContact CB-CD1 4.36Å; C60-F72 HydrophobicContact CB-CE1 3.87Å; C60-F72 HydrophobicContact CB-CE2 4.08Å; C60-F72 HydrophobicContact CB-CZ 3.7Å
61D84.3Confident80.4Confident87 Ų8775.3 Ų75.347%0.46537%0.371SS..SBendtrans-81.7-32-177.2-59-55.8000111.6F71 F72 D73D61-F71 PolarHBondContact N-O 3.37Å; D61-F72 WeakPolarHBondContact OD2-CA 3.39Å; D61-D73 PolarHBondContact OD2-N 2.84Å
62D84Confident81.3Confident90 Ų9066.4 Ų66.448%0.48134%0.337SS..EExtended strand (participates in β ladder)trans-152.9159.8174.4-164.38.7000111.4F71D62-F71 HydrophobicContact CB-CB 4.1Å; D62-F71 HydrophobicContact CB-CD1 4.26Å; D62-F71 PolarHBondContact N-O 2.7Å; D62-F71 PolarHBondContact O-N 3.48Å
63Y84Confident82.1Confident22 Ų2270.7 Ų70.79%0.08635%0.353CS..EExtended strand (participates in β ladder)trans-135.4111.8174175-110.4000110.7P5 L56 V65 D68 E69 F70P5-Y63 HydrophobicContact CB-CE1 4.5Å; P5-Y63 VanDerWaalsContact CB-OH 3.29Å; P5-Y63 WeakPolarHBondContact CB-OH 3.42Å; P5-Y63 WeakPolarHBondContact CG-OH 3.29Å; L56-Y63 HydrophobicContact CD2-CD1 4.01Å; L56-Y63 HydrophobicContact CD2-CD2 4.35Å; L56-Y63 HydrophobicContact CD2-CG 3.74Å; Y63-V65 HydrophobicContact CD1-CG2 4Å; Y63-V65 HydrophobicContact CE1-CG2 3.94Å; Y63-V65 PolarHBondContact O-N 2.83Å; Y63-D68 PolarHBondContact OH-OD1 2.91Å; Y63-E69 WeakPolarHBondContact CD2-O 3.5Å; Y63-F70 AromaticContact CD2-CD1 3.47Å; Y63-F70 HydrophobicContact CD2-CD1 3.47Å; Y63-F70 VanDerWaalsContact CD2-CD1 3.47Å; Y63-F70 HydrophobicContact CD2-CD2 4.35Å; Y63-F70 AromaticContact CD2-CE1 3.37Å; Y63-F70 HydrophobicContact CD2-CE1 3.37Å; Y63-F70 HydrophobicContact CD2-CE2 4.3Å; Y63-F70 AromaticContact CD2-CG 3.98Å; Y63-F70 HydrophobicContact CD2-CG 3.98Å; Y63-F70 AromaticContact CD2-CZ 3.85Å; Y63-F70 HydrophobicContact CD2-CZ 3.85Å; Y63-F70 HydrophobicContact CE2-CD1 4.11Å; Y63-F70 HydrophobicContact CE2-CD2 4.37Å; Y63-F70 AromaticContact CE2-CE1 3.66Å; Y63-F70 HydrophobicContact CE2-CE1 3.66Å; Y63-F70 AromaticContact CE2-CE2 3.98Å; Y63-F70 HydrophobicContact CE2-CE2 3.98Å; Y63-F70 HydrophobicContact CE2-CG 4.44Å; Y63-F70 AromaticContact CE2-CZ 3.61Å; Y63-F70 HydrophobicContact CE2-CZ 3.61Å; Y63-F70 HydrophobicContact CG-CD1 4.26Å; Y63-F70 HydrophobicContact CG-CE1 4.13Å
64D83.3Confident82.8Confident45 Ų4570.1 Ų70.124%0.24135%0.347CS..EExtended strand (participates in β ladder)trans-85.1104178.5-177.3-6.3000109.9S66 R67 D68 E69D64-S66 PolarHBondContact O-N 3.07Å; D64-S66 WeakPolarHBondContact OD1-CB 3.26Å; D64-S66 PolarHBondContact OD1-N 2.58Å; D64-S66 PolarHBondContact OD1-OG 3.11Å; D64-S66 PolarHBondContact OD2-OG 3.22Å; D64-R67 HydrophobicContact CB-CB 4.45Å; D64-R67 PolarHBondContact O-N 3.48Å; D64-R67 PolarHBondContact OD1-N 2.64Å; D64-R67 VanDerWaalsContact OD2-CD 3.31Å; D64-R67 WeakPolarHBondContact OD2-CD 3.23Å; D64-R67 WeakPolarHBondContact OD2-CG 3.18Å; D64-D68 WeakPolarHBondContact O-CA 3.42Å; D64-D68 PolarHBondContact O-N 3.3Å; D64-E69 HydrophobicContact CB-CG 3.88Å; D64-E69 PolarHBondContact N-O 3.08Å; D64-E69 PolarHBondContact O-N 3.24Å
65V79.9Confident83.4Confident115 Ų11566.3 Ų66.370%0.69733%0.33SS*.THydrogen-bonded Turntrans-62.3-30.7178.8-1740000111.9Y63 R67Y63-V65 HydrophobicContact CD1-CG2 4Å; Y63-V65 HydrophobicContact CE1-CG2 3.94Å; Y63-V65 PolarHBondContact O-N 2.83Å; V65-R67 VanDerWaalsContact C-N 3.33Å
66S78.7Confident83.8Confident104 Ų10464.1 Ų64.173%0.72732%0.324SS*.THydrogen-bonded Turntrans-73.1-28.6-177.374.70000112.5D64D64-S66 PolarHBondContact O-N 3.07Å; D64-S66 WeakPolarHBondContact OD1-CB 3.26Å; D64-S66 PolarHBondContact OD1-N 2.58Å; D64-S66 PolarHBondContact OD1-OG 3.11Å; D64-S66 PolarHBondContact OD2-OG 3.22Å
67R77.3Confident83.9Confident146 Ų14666.4 Ų66.455%0.55134%0.341SS*.THydrogen-bonded Turntrans-111.1-3.9-177.9-67.9-177.6177.4171.70.3113.9D64 V65 E69D64-R67 HydrophobicContact CB-CB 4.45Å; D64-R67 PolarHBondContact O-N 3.48Å; D64-R67 PolarHBondContact OD1-N 2.64Å; D64-R67 VanDerWaalsContact OD2-CD 3.31Å; D64-R67 WeakPolarHBondContact OD2-CD 3.23Å; D64-R67 WeakPolarHBondContact OD2-CG 3.18Å; V65-R67 VanDerWaalsContact C-N 3.33Å; R67-E69 HydrophobicContact CB-CB 4.48Å; R67-E69 HydrophobicContact CB-CG 3.95Å; R67-E69 PolarHBondContact O-N 2.89Å
68D82.9Confident84.1Confident67 Ų6762.9 Ų62.936%0.35832%0.323SS..THydrogen-bonded Turntrans48.645.1-172.6-167.129.5000111.6Y63 D64Y63-D68 PolarHBondContact OH-OD1 2.91Å; D64-D68 WeakPolarHBondContact O-CA 3.42Å; D64-D68 PolarHBondContact O-N 3.3Å
69E87.1Confident84.4Confident15 Ų1553.7 Ų53.77%0.0729%0.288CS..EExtended strand (participates in β ladder)trans-115.6131.9-179.271.4174.3-154.100112.7I21 N23 R28 Y63 D64 R67I21-E69 HydrophobicContact CB-CB 3.97Å; I21-E69 HydrophobicContact CG2-CB 3.78Å; I21-E69 WeakPolarHBondContact O-CA 3.32Å; N23-E69 PolarHBondContact ND2-OE1 3.42Å; R28-E69 IonicContact CZ-OE2 3.76Å; R28-E69 IonicContact NE-OE2 3.56Å; R28-E69 PolarHBondContact NE-OE2 2.87Å; R28-E69 IonicContact NH2-OE1 3.42Å; R28-E69 IonicContact NH2-OE2 3.53Å; R28-E69 PolarHBondContact NH2-OE2 3.44Å; Y63-E69 WeakPolarHBondContact CD2-O 3.5Å; D64-E69 HydrophobicContact CB-CG 3.88Å; D64-E69 PolarHBondContact N-O 3.08Å; D64-E69 PolarHBondContact O-N 3.24Å; R67-E69 HydrophobicContact CB-CB 4.48Å; R67-E69 HydrophobicContact CB-CG 3.95Å; R67-E69 PolarHBondContact O-N 2.89Å
70F88.7Confident84.6Confident6 Ų661.1 Ų61.13%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-88.8121.4171.2-61.4-83.9000109.3V20 I21 N23 L47 L56 C60 Y63 F72V20-F70 HydrophobicContact CG1-CD2 3.4Å; V20-F70 VanDerWaalsContact CG1-CD2 3.4Å; V20-F70 HydrophobicContact CG1-CE2 3.46Å; V20-F70 VanDerWaalsContact CG1-CE2 3.46Å; I21-F70 PolarHBondContact O-N 3.47Å; N23-F70 PolarHBondContact N-O 3.49Å; L47-F70 HydrophobicContact CD2-CD1 4.19Å; L47-F70 HydrophobicContact CD2-CE1 4.46Å; L56-F70 HydrophobicContact CD1-CD1 3.98Å; L56-F70 HydrophobicContact CD1-CE1 3.37Å; L56-F70 HydrophobicContact CD1-CZ 4.33Å; L56-F70 HydrophobicContact CD2-CD1 4.31Å; L56-F70 HydrophobicContact CD2-CE1 3.81Å; L56-F70 HydrophobicContact CG-CD1 4.36Å; L56-F70 HydrophobicContact CG-CE1 4Å; C60-F70 HydrophobicContact CB-CB 4.45Å; Y63-F70 AromaticContact CD2-CD1 3.47Å; Y63-F70 HydrophobicContact CD2-CD1 3.47Å; Y63-F70 VanDerWaalsContact CD2-CD1 3.47Å; Y63-F70 HydrophobicContact CD2-CD2 4.35Å; Y63-F70 AromaticContact CD2-CE1 3.37Å; Y63-F70 HydrophobicContact CD2-CE1 3.37Å; Y63-F70 HydrophobicContact CD2-CE2 4.3Å; Y63-F70 AromaticContact CD2-CG 3.98Å; Y63-F70 HydrophobicContact CD2-CG 3.98Å; Y63-F70 AromaticContact CD2-CZ 3.85Å; Y63-F70 HydrophobicContact CD2-CZ 3.85Å; Y63-F70 HydrophobicContact CE2-CD1 4.11Å; Y63-F70 HydrophobicContact CE2-CD2 4.37Å; Y63-F70 AromaticContact CE2-CE1 3.66Å; Y63-F70 HydrophobicContact CE2-CE1 3.66Å; Y63-F70 AromaticContact CE2-CE2 3.98Å; Y63-F70 HydrophobicContact CE2-CE2 3.98Å; Y63-F70 HydrophobicContact CE2-CG 4.44Å; Y63-F70 AromaticContact CE2-CZ 3.61Å; Y63-F70 HydrophobicContact CE2-CZ 3.61Å; Y63-F70 HydrophobicContact CG-CD1 4.26Å; Y63-F70 HydrophobicContact CG-CE1 4.13Å; F70-F72 HydrophobicContact CB-CE2 3.99Å
71F89.4Confident84.3Confident61 Ų6161.1 Ų61.127%0.26832%0.316SS..EExtended strand (participates in β ladder)trans-100.4138.3-177.6-176.1-102.2000112.2N23 D61 D62 D73N23-F71 HydrophobicContact CB-CD2 4.14Å; N23-F71 CarbonylContact O-C 3.57Å; N23-F71 VanDerWaalsContact O-CA 3.32Å; N23-F71 WeakPolarHBondContact O-CA 3.31Å; D61-F71 PolarHBondContact N-O 3.37Å; D62-F71 HydrophobicContact CB-CB 4.1Å; D62-F71 HydrophobicContact CB-CD1 4.26Å; D62-F71 PolarHBondContact N-O 2.7Å; D62-F71 PolarHBondContact O-N 3.48Å; F71-D73 HydrophobicContact CE1-CB 3.99Å
72F90.7Very high84.2Confident0 Ų057 Ų570%029%0.293CS..EExtended strand (participates in β ladder)trans-130.7121.5175.6-61.8-97.7000109.4I22 N23 V24 G25 L44 L47 V59 C60 D61 F70 R74 Y108 W109I22-F72 HydrophobicContact CG2-CD2 3.9Å; I22-F72 HydrophobicContact CG2-CE2 3.78Å; N23-F72 PolarHBondContact O-N 2.94Å; V24-F72 CarbonylContact C-O 3.53Å; V24-F72 WeakPolarHBondContact CA-O 3.4Å; V24-F72 HydrophobicContact CB-CB 4.45Å; V24-F72 HydrophobicContact CG1-CB 4.24Å; V24-F72 HydrophobicContact CG2-CB 4.08Å; V24-F72 HydrophobicContact CG2-CD2 4.21Å; V24-F72 HydrophobicContact CG2-CG 4.41Å; G25-F72 PolarHBondContact N-O 3.34Å; L44-F72 HydrophobicContact CD2-CE2 4.18Å; L44-F72 HydrophobicContact CD2-CZ 3.84Å; L47-F72 HydrophobicContact CD1-CZ 4.37Å; V59-F72 VanDerWaalsContact O-CE1 3.25Å; V59-F72 WeakPolarHBondContact O-CE1 3.4Å; C60-F72 HydrophobicContact CB-CD1 4.36Å; C60-F72 HydrophobicContact CB-CE1 3.87Å; C60-F72 HydrophobicContact CB-CE2 4.08Å; C60-F72 HydrophobicContact CB-CZ 3.7Å; D61-F72 WeakPolarHBondContact OD2-CA 3.39Å; F70-F72 HydrophobicContact CB-CE2 3.99Å; F72-R74 VanDerWaalsContact C-N 3.25Å; F72-R74 HydrophobicContact CB-CG 4.37Å; F72-R74 PolarHBondContact O-N 3.48Å; F72-Y108 HydrophobicContact CD1-CE1 4.35Å; F72-Y108 WeakPolarHBondContact CD1-OH 3.39Å; F72-W109 HydrophobicContact CB-CH2 4.17Å; F72-W109 AromaticContact CD1-CH2 3.83Å; F72-W109 HydrophobicContact CD1-CH2 3.83Å; F72-W109 HydrophobicContact CD1-CZ3 4.27Å; F72-W109 HydrophobicContact CD2-CH2 4.16Å; F72-W109 HydrophobicContact CE1-CH2 4.2Å; F72-W109 HydrophobicContact CE1-CZ3 4.19Å; F72-W109 AromaticContact CG-CH2 3.79Å; F72-W109 HydrophobicContact CG-CH2 3.79Å; F72-W109 HydrophobicContact CZ-CZ3 4.44Å
73D88.7Confident84Confident119 Ų11953 Ų5364%0.63627%0.272SS*.  trans-82.968.9179-169.120.3000110.8D61 F71D61-D73 PolarHBondContact OD2-N 2.84Å; F71-D73 HydrophobicContact CE1-CB 3.99Å
74R88.6Confident83.7Confident83 Ų8353.9 Ų53.931%0.31328%0.284SS..SBendtrans-134.3169.9-176.9-51.7-64.9-85.6-172.5-4.1111.5V24 F72 P76 E105 Y108V24-R74 HydrophobicContact CG1-CB 3.78Å; F72-R74 VanDerWaalsContact C-N 3.25Å; F72-R74 HydrophobicContact CB-CG 4.37Å; F72-R74 PolarHBondContact O-N 3.48Å; R74-P76 VanDerWaalsContact O-CD 3.28Å; R74-P76 WeakPolarHBondContact O-CD 3.48Å; R74-E105 IonicContact NE-OE1 3.24Å; R74-E105 IonicContact NE-OE2 3.34Å; R74-Y108 HydrophobicContact CG-CD1 4.41Å; R74-Y108 HydrophobicContact CG-CE1 3.85Å; R74-Y108 HydrophobicContact CG-CE2 4.38Å
75S84.8Confident83.2Confident45 Ų4551.8 Ų51.832%0.31527%0.273SS..  trans-64.4117.3-174.2-176.80000112.4C77 A78 F79S75-C77 PolarHBondContact O-N 3.23Å; S75-A78 PolarHBondContact O-N 3.33Å; S75-F79 PolarHBondContact O-N 3.04Å
76P86.4Confident82.8Confident43 Ų4348.7 Ų48.728%0.27925%0.252SS..Hα-helixtrans-65.5-30.5177.925.5-33.6000111.6C27 R74 F79 R80C27-P76 HydrophobicContact CB-CB 3.92Å; R74-P76 VanDerWaalsContact O-CD 3.28Å; R74-P76 WeakPolarHBondContact O-CD 3.48Å; P76-F79 PolarHBondContact O-N 2.7Å; P76-R80 VanDerWaalsContact O-CG 3.3Å; P76-R80 WeakPolarHBondContact O-CG 3.46Å; P76-R80 PolarHBondContact O-N 3.19Å
77C81.4Confident82.6Confident70 Ų7052.1 Ų52.147%0.47325%0.249SC..Hα-helixtrans-66.8-42177.8-64.90000112.4S75S75-C77 PolarHBondContact O-N 3.23Å
78A82Confident82.3Confident2 Ų248.7 Ų48.72%0.01725%0.252CS..Hα-helixtrans-69.4-41.8175.800000111.1S75 R80 A81 I82 F102 E105S75-A78 PolarHBondContact O-N 3.33Å; A78-R80 VanDerWaalsContact C-N 3.31Å; A78-R80 PolarHBondContact O-N 2.85Å; A78-A81 VanDerWaalsContact O-CB 3.31Å; A78-A81 WeakPolarHBondContact O-CB 3.45Å; A78-A81 PolarHBondContact O-N 3.32Å; A78-I82 PolarHBondContact O-N 3.43Å; A78-F102 HydrophobicContact CB-CD2 3.97Å; A78-F102 HydrophobicContact CB-CE2 4.33Å; A78-E105 HydrophobicContact CB-CB 4.06Å; A78-E105 HydrophobicContact CB-CG 3.64Å
79F85.8Confident81.5Confident2 Ų248.2 Ų48.21%0.00926%0.263CS..Hα-helixtrans-61.8-36.8178.6-168.3-115000112.7I22 V24 C27 V29 S75 P76 A81 I82 V83 W109I22-F79 HydrophobicContact CG2-CZ 4.02Å; V24-F79 HydrophobicContact CB-CB 4.04Å; V24-F79 HydrophobicContact CB-CD1 3.58Å; V24-F79 HydrophobicContact CB-CD2 4.19Å; V24-F79 HydrophobicContact CB-CE1 4Å; V24-F79 HydrophobicContact CB-CG 3.67Å; V24-F79 HydrophobicContact CB-CZ 4.49Å; V24-F79 HydrophobicContact CG1-CB 3.84Å; V24-F79 HydrophobicContact CG1-CD1 4.31Å; V24-F79 HydrophobicContact CG1-CD2 4.25Å; V24-F79 HydrophobicContact CG1-CG 3.89Å; V24-F79 HydrophobicContact CG2-CB 4.48Å; V24-F79 HydrophobicContact CG2-CD1 3.49Å; V24-F79 VanDerWaalsContact CG2-CD1 3.49Å; V24-F79 HydrophobicContact CG2-CD2 3.71Å; V24-F79 HydrophobicContact CG2-CE1 3.41Å; V24-F79 VanDerWaalsContact CG2-CE1 3.41Å; V24-F79 HydrophobicContact CG2-CE2 3.65Å; V24-F79 HydrophobicContact CG2-CG 3.63Å; V24-F79 HydrophobicContact CG2-CZ 3.5Å; V24-F79 VanDerWaalsContact CG2-CZ 3.5Å; C27-F79 HydrophobicContact CB-CD1 4.3Å; V29-F79 HydrophobicContact CB-CE1 4.33Å; V29-F79 HydrophobicContact CG2-CD1 4.44Å; V29-F79 HydrophobicContact CG2-CE1 3.67Å; V29-F79 HydrophobicContact CG2-CZ 4.49Å; S75-F79 PolarHBondContact O-N 3.04Å; P76-F79 PolarHBondContact O-N 2.7Å; F79-A81 PolarHBondContact O-N 2.52Å; F79-I82 HydrophobicContact CD2-CB 4.46Å; F79-I82 CarbonylContact O-C 3.54Å; F79-I82 WeakPolarHBondContact O-CA 3.24Å; F79-I82 WeakPolarHBondContact O-CB 3.39Å; F79-I82 PolarHBondContact O-N 2.9Å; F79-V83 HydrophobicContact CD1-CG2 3.77Å; F79-V83 HydrophobicContact CE1-CG2 3.57Å; F79-V83 HydrophobicContact CE2-CG2 4.46Å; F79-V83 HydrophobicContact CG-CG2 4.32Å; F79-V83 HydrophobicContact CZ-CG2 3.95Å; F79-V83 VanDerWaalsContact O-CG2 3.25Å; F79-V83 WeakPolarHBondContact O-CG2 3.3Å; F79-V83 PolarHBondContact O-N 2.99Å; F79-W109 HydrophobicContact CD2-CD2 4.45Å; F79-W109 AromaticContact CD2-CE2 3.8Å; F79-W109 HydrophobicContact CD2-CH2 4.1Å; F79-W109 AromaticContact CD2-CZ2 3.61Å; F79-W109 HydrophobicContact CD2-CZ2 3.61Å; F79-W109 HydrophobicContact CE2-CD2 4.42Å; F79-W109 HydrophobicContact CE2-CE3 4.41Å; F79-W109 AromaticContact CE2-CH2 3.8Å; F79-W109 HydrophobicContact CE2-CH2 3.8Å; F79-W109 AromaticContact CE2-CZ2 3.81Å; F79-W109 HydrophobicContact CE2-CZ2 3.81Å; F79-W109 HydrophobicContact CE2-CZ3 4.12Å
80R84.4Confident80.6Confident161 Ų16153.4 Ų53.461%0.60829%0.285SS*.Hα-helixtrans-55.7-36.8172.8-76.1173.4-176.7-1702.5113.3P76 A78 A84P76-R80 VanDerWaalsContact O-CG 3.3Å; P76-R80 WeakPolarHBondContact O-CG 3.46Å; P76-R80 PolarHBondContact O-N 3.19Å; A78-R80 VanDerWaalsContact C-N 3.31Å; A78-R80 PolarHBondContact O-N 2.85Å; R80-A84 PolarHBondContact O-N 2.79Å; R80-A84 VanDerWaalsContact O-N 3.13Å
81A78.4Confident79.8Confident1 Ų153.1 Ų53.11%0.00828%0.284CS..Hα-helixtrans-68-39.3175.300000112A78 F79 V83 A84 L85 L91 L94 F102A78-A81 VanDerWaalsContact O-CB 3.31Å; A78-A81 WeakPolarHBondContact O-CB 3.45Å; A78-A81 PolarHBondContact O-N 3.32Å; F79-A81 PolarHBondContact O-N 2.52Å; A81-V83 VanDerWaalsContact C-N 3.35Å; A81-A84 WeakPolarHBondContact O-CB 3.34Å; A81-A84 PolarHBondContact O-N 3.42Å; A81-L85 PolarHBondContact O-N 3.41Å; A81-L91 WeakPolarHBondContact O-CD1 3.34Å; A81-L94 VanDerWaalsContact CA-CD1 3.41Å; A81-L94 HydrophobicContact CB-CD1 3.28Å; A81-F102 HydrophobicContact CB-CE2 3.64Å; A81-F102 HydrophobicContact CB-CZ 3.81Å
82I81.4Confident78.9Confident0 Ų057.1 Ų57.10%030%0.297CS..Hα-helixtrans-68.4-36.5177.8-66.2164.5000110.9L41 A78 F79 A84 L85 L86 F102 W109 I111L41-I82 HydrophobicContact CD1-CG2 3.78Å; L41-I82 HydrophobicContact CD2-CG2 3.56Å; L41-I82 HydrophobicContact CG-CG2 4.35Å; A78-I82 PolarHBondContact O-N 3.43Å; F79-I82 HydrophobicContact CD2-CB 4.46Å; F79-I82 CarbonylContact O-C 3.54Å; F79-I82 WeakPolarHBondContact O-CA 3.24Å; F79-I82 WeakPolarHBondContact O-CB 3.39Å; F79-I82 PolarHBondContact O-N 2.9Å; I82-A84 VanDerWaalsContact C-N 3.32Å; I82-A84 PolarHBondContact O-N 2.9Å; I82-L85 VanDerWaalsContact O-CB 3.27Å; I82-L85 WeakPolarHBondContact O-CB 3.26Å; I82-L85 PolarHBondContact O-N 3Å; I82-L85 VanDerWaalsContact O-N 3.16Å; I82-L86 PolarHBondContact O-N 3.07Å; I82-F102 HydrophobicContact CG1-CE2 4.49Å; I82-W109 HydrophobicContact CD1-CB 4.41Å; I82-W109 HydrophobicContact CD1-CG 3.84Å; I82-I111 HydrophobicContact CB-CD1 4.44Å; I82-I111 HydrophobicContact CD1-CD1 4.32Å; I82-I111 HydrophobicContact CG1-CD1 3.91Å; I82-I111 HydrophobicContact CG2-CD1 3.83Å
83V80.1Confident77.8Confident5 Ų558.4 Ų58.43%0.0330%0.304CS..Hα-helixtrans-67.1-35.3174.4176.40000111.2V29 F79 A81 L85 L86 R87V29-V83 HydrophobicContact CG1-CG1 4.42Å; V29-V83 HydrophobicContact CG2-CG1 4.16Å; V29-V83 HydrophobicContact CG2-CG2 3.61Å; F79-V83 HydrophobicContact CD1-CG2 3.77Å; F79-V83 HydrophobicContact CE1-CG2 3.57Å; F79-V83 HydrophobicContact CE2-CG2 4.46Å; F79-V83 HydrophobicContact CG-CG2 4.32Å; F79-V83 HydrophobicContact CZ-CG2 3.95Å; F79-V83 VanDerWaalsContact O-CG2 3.25Å; F79-V83 WeakPolarHBondContact O-CG2 3.3Å; F79-V83 PolarHBondContact O-N 2.99Å; A81-V83 VanDerWaalsContact C-N 3.35Å; V83-L85 PolarHBondContact O-N 2.78Å; V83-L86 WeakPolarHBondContact O-CB 3.32Å; V83-L86 PolarHBondContact O-N 2.83Å; V83-L86 VanDerWaalsContact O-N 3.11Å; V83-R87 VanDerWaalsContact CG1-CZ 3.48Å; V83-R87 PolarHBondContact O-N 3.33Å; V83-R87 VanDerWaalsContact O-N 3.08Å
84A76.9Confident76.5Confident41 Ų4156.8 Ų56.834%0.33930%0.295SS..Hα-helixtrans-61.6-34.2172.900000112R80 A81 I82 R87 A88R80-A84 PolarHBondContact O-N 2.79Å; R80-A84 VanDerWaalsContact O-N 3.13Å; A81-A84 WeakPolarHBondContact O-CB 3.34Å; A81-A84 PolarHBondContact O-N 3.42Å; I82-A84 VanDerWaalsContact C-N 3.32Å; I82-A84 PolarHBondContact O-N 2.9Å; A84-R87 PolarHBondContact O-N 3.4Å; A84-A88 WeakPolarHBondContact O-CB 3.12Å; A84-A88 PolarHBondContact O-N 2.96Å
85L73.9Confident75.1Confident2 Ų264.5 Ų64.51%0.0132%0.324CS..Hα-helixtrans-64.7-40.9171.4165.270.4000112.2A81 I82 V83 R87 G89 L91 I111A81-L85 PolarHBondContact O-N 3.41Å; I82-L85 VanDerWaalsContact O-CB 3.27Å; I82-L85 WeakPolarHBondContact O-CB 3.26Å; I82-L85 PolarHBondContact O-N 3Å; I82-L85 VanDerWaalsContact O-N 3.16Å; V83-L85 PolarHBondContact O-N 2.78Å; L85-R87 VanDerWaalsContact C-N 3.27Å; L85-R87 PolarHBondContact O-N 2.87Å; L85-G89 VanDerWaalsContact O-CA 3.28Å; L85-G89 WeakPolarHBondContact O-CA 3.48Å; L85-G89 PolarHBondContact O-N 3Å; L85-L91 HydrophobicContact CB-CB 4.19Å; L85-L91 HydrophobicContact CB-CD1 3.72Å; L85-L91 HydrophobicContact CD1-CB 4.02Å; L85-L91 HydrophobicContact CD2-CB 4.32Å; L85-L91 HydrophobicContact CD2-CD1 4.06Å; L85-L91 HydrophobicContact CG-CB 4.4Å; L85-L91 HydrophobicContact CG-CD1 4.43Å; L85-I111 HydrophobicContact CD2-CD1 3.98Å; L85-I111 HydrophobicContact CD2-CG1 4.5Å; L85-I111 HydrophobicContact CD2-CG2 4.28Å
86L72.3Confident73.9Confident49 Ų4965.5 Ų65.526%0.25734%0.342SS..Hα-helixtrans-62.8-34.2176-64.1178.6000112.5L31 P40 L41 I82 V83L31-L86 HydrophobicContact CD1-CD1 4.33Å; L31-L86 HydrophobicContact CD2-CD1 4.3Å; P40-L86 HydrophobicContact CG-CD2 3.69Å; L41-L86 HydrophobicContact CD1-CD1 3.86Å; L41-L86 HydrophobicContact CD1-CD2 3.94Å; L41-L86 HydrophobicContact CD1-CG 4.16Å; L41-L86 HydrophobicContact CG-CD2 4.15Å; I82-L86 PolarHBondContact O-N 3.07Å; V83-L86 WeakPolarHBondContact O-CB 3.32Å; V83-L86 PolarHBondContact O-N 2.83Å; V83-L86 VanDerWaalsContact O-N 3.11Å
87R73Confident72.7Confident177 Ų17765 Ų6567%0.66834%0.338SS*.Hα-helixtrans-87.5-43-178-66.5-173.5-174.8125.90.4114V83 A84 L85V83-R87 VanDerWaalsContact CG1-CZ 3.48Å; V83-R87 PolarHBondContact O-N 3.33Å; V83-R87 VanDerWaalsContact O-N 3.08Å; A84-R87 PolarHBondContact O-N 3.4Å; L85-R87 VanDerWaalsContact C-N 3.27Å; L85-R87 PolarHBondContact O-N 2.87Å
88A71.3Confident72.2Confident74 Ų7465.4 Ų65.461%0.61234%0.341SS*.Hα-helixtrans-105.5-7-170.800000113.8A84 K90A84-A88 WeakPolarHBondContact O-CB 3.12Å; A84-A88 PolarHBondContact O-N 2.96Å; A88-K90 PolarHBondContact O-N 3.5Å
89G67.1Low71.8Confident56 Ų5665.9 Ų65.958%0.57735%0.345SS*.SBendtrans71.13.3-178.900000115L85L85-G89 VanDerWaalsContact O-CA 3.28Å; L85-G89 WeakPolarHBondContact O-CA 3.48Å; L85-G89 PolarHBondContact O-N 3Å
90K68.4Low71.3Confident125 Ų12567.8 Ų67.854%0.54336%0.355SS..  trans-129.3130.3-179.2-63.2-178.7-176.7176.70110.4A88 E117A88-K90 PolarHBondContact O-N 3.5Å; K90-E117 WeakPolarHBondContact CD-OE1 3.46Å
91L70.9Confident71Confident0 Ų062.5 Ų62.50%035%0.345CS..BIsolated β-bridgetrans-95119.6178.1-171.169.2000110A81 L85 F102 L106 I111 L116 E117A81-L91 WeakPolarHBondContact O-CD1 3.34Å; L85-L91 HydrophobicContact CB-CB 4.19Å; L85-L91 HydrophobicContact CB-CD1 3.72Å; L85-L91 HydrophobicContact CD1-CB 4.02Å; L85-L91 HydrophobicContact CD2-CB 4.32Å; L85-L91 HydrophobicContact CD2-CD1 4.06Å; L85-L91 HydrophobicContact CG-CB 4.4Å; L85-L91 HydrophobicContact CG-CD1 4.43Å; L91-F102 HydrophobicContact CD1-CZ 4.16Å; L91-F102 HydrophobicContact CD2-CE1 4.41Å; L91-F102 HydrophobicContact CD2-CZ 4.48Å; L91-F102 HydrophobicContact CG-CZ 4.48Å; L91-L106 HydrophobicContact CD2-CD1 4.33Å; L91-L106 HydrophobicContact CD2-CD2 3.5Å; L91-I111 HydrophobicContact CD2-CG2 4.23Å; L91-L116 HydrophobicContact CD2-CD1 3.49Å; L91-L116 VanDerWaalsContact CD2-CD1 3.49Å; L91-L116 HydrophobicContact CD2-CG 3.78Å; L91-L116 HydrophobicContact CG-CD1 4.47Å; L91-L116 HydrophobicContact CG-CG 4.25Å; L91-E117 PolarHBondContact O-N 2.77Å
92R70.4Confident71.2Confident144 Ų14462.4 Ų62.454%0.54335%0.345SS..  trans-115.6135.9174.5-68.8-176.9176.2165.66.3109.9L94 E117R92-L94 PolarHBondContact O-N 3.44Å; R92-L94 VanDerWaalsContact O-N 3.15Å; R92-E117 IonicContact CZ-OE1 3.26Å; R92-E117 IonicContact CZ-OE2 3.27Å; R92-E117 IonicContact NE-OE1 3.34Å; R92-E117 PolarHBondContact NE-OE1 3.01Å; R92-E117 IonicContact NE-OE2 2.77Å; R92-E117 PolarHBondContact NE-OE2 3.17Å; R92-E117 IonicContact NH2-OE1 2.95Å; R92-E117 PolarHBondContact NH2-OE1 2.97Å; R92-E117 IonicContact NH2-OE2 3.43Å
93L68.7Low71.3Confident27 Ų2765.8 Ų65.814%0.14136%0.358CS..  trans-70.5108.4172.2-174.269.2000108.5A99 F102 C120L93-A99 HydrophobicContact CD2-CB 4.31Å; L93-F102 HydrophobicContact CD1-CB 3.89Å; L93-F102 HydrophobicContact CD1-CD1 3.25Å; L93-F102 HydrophobicContact CD1-CD2 4.47Å; L93-F102 HydrophobicContact CD1-CE1 3.83Å; L93-F102 HydrophobicContact CD1-CG 3.6Å; L93-C120 HydrophobicContact CB-CB 4.15Å; L93-C120 PolarHBondContact N-SG 3.45Å; L93-C120 VanDerWaalsContact N-SG 3.45Å
94L60.8Low71.5Confident85 Ų8569.4 Ų69.445%0.44538%0.377SS..  trans-67.4147.2176.4-87104.3000110.9A81 R92 G96A81-L94 VanDerWaalsContact CA-CD1 3.41Å; A81-L94 HydrophobicContact CB-CD1 3.28Å; R92-L94 PolarHBondContact O-N 3.44Å; R92-L94 VanDerWaalsContact O-N 3.15Å; L94-G96 VanDerWaalsContact C-N 3.34Å; L94-G96 PolarHBondContact O-N 3.29Å
95R58.1Low72Confident245 Ų24568.4 Ų68.493%0.92537%0.365SS*.SBendtrans-67.192168.5-77178.2169.6174.4-4108.1
96G59.5Low72.5Confident67 Ų6768.4 Ų68.469%0.69137%0.365SS*.SBendtrans-177.5-72.4-179.400000113.2L94L94-G96 VanDerWaalsContact C-N 3.34Å; L94-G96 PolarHBondContact O-N 3.29Å
97P61.6Low73.2Confident31 Ų3169.7 Ų69.720%0.20138%0.383CS..SBendtrans-75.6149.9-178.828.4-32.4000112.5A99 F102P97-A99 PolarHBondContact O-N 2.91Å; P97-F102 HydrophobicContact CG-CB 4.36Å; P97-F102 HydrophobicContact CG-CD2 4.2Å
98C70.5Confident73.9Confident80 Ų8062.5 Ų62.554%0.54136%0.356SS..  trans-54.3133.2165.91790000109.1L100 A101 F102C98-L100 PolarHBondContact O-N 3.47Å; C98-A101 HydrophobicContact CB-CB 4.04Å; C98-A101 PolarHBondContact O-N 2.9Å; C98-A101 VanDerWaalsContact O-N 3.1Å; C98-F102 PolarHBondContact O-N 3.23Å
99A74.4Confident74.6Confident11 Ų1159 Ų599%0.09133%0.327CS..Hα-helixtrans-55.6-36-178.300000112.4L93 P97 F102 R103 L124 R127L93-A99 HydrophobicContact CD2-CB 4.31Å; P97-A99 PolarHBondContact O-N 2.91Å; A99-F102 PolarHBondContact O-N 3.49Å; A99-R103 PolarHBondContact O-N 3.35Å; A99-R103 VanDerWaalsContact O-N 3.1Å; A99-L124 HydrophobicContact CB-CD1 3.93Å; A99-L124 WeakPolarHBondContact O-CD1 3.44Å; A99-R127 HydrophobicContact CB-CB 3.94Å; A99-R127 HydrophobicContact CB-CG 3.96Å
100L74.8Confident75.3Confident43 Ų4358.2 Ų58.223%0.22532%0.319CS..Hα-helixtrans-69.9-45.2177.3-58.5173.2000112C98 F102 R103 D104 E128 A131C98-L100 PolarHBondContact O-N 3.47Å; L100-F102 VanDerWaalsContact C-N 3.25Å; L100-F102 PolarHBondContact O-N 2.94Å; L100-R103 WeakPolarHBondContact O-CB 3.32Å; L100-R103 PolarHBondContact O-N 2.97Å; L100-R103 VanDerWaalsContact O-N 3.12Å; L100-D104 PolarHBondContact O-N 2.71Å; L100-D104 VanDerWaalsContact O-N 3.14Å; L100-E128 HydrophobicContact CD2-CG 3.94Å; L100-A131 HydrophobicContact CD1-CB 3.63Å; L100-A131 HydrophobicContact CD2-CB 4.21Å
101A78.6Confident76Confident49 Ų4952.7 Ų52.741%0.40530%0.295SS..Hα-helixtrans-63-35.8175.500000111.5C98 R103 D104 E105C98-A101 HydrophobicContact CB-CB 4.04Å; C98-A101 PolarHBondContact O-N 2.9Å; C98-A101 VanDerWaalsContact O-N 3.1Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-D104 PolarHBondContact O-N 3.29Å; A101-E105 WeakPolarHBondContact O-CG 3.23Å; A101-E105 PolarHBondContact O-N 3.37Å; A101-E105 VanDerWaalsContact O-N 3.13Å
102F82.1Confident76.6Confident0 Ų057.9 Ų57.90%032%0.323CS..Hα-helixtrans-65.4-36.8174.8-172-110.6000112.4A78 A81 I82 L91 L93 P97 C98 A99 L100 E105 L106A78-F102 HydrophobicContact CB-CD2 3.97Å; A78-F102 HydrophobicContact CB-CE2 4.33Å; A81-F102 HydrophobicContact CB-CE2 3.64Å; A81-F102 HydrophobicContact CB-CZ 3.81Å; I82-F102 HydrophobicContact CG1-CE2 4.49Å; L91-F102 HydrophobicContact CD1-CZ 4.16Å; L91-F102 HydrophobicContact CD2-CE1 4.41Å; L91-F102 HydrophobicContact CD2-CZ 4.48Å; L91-F102 HydrophobicContact CG-CZ 4.48Å; L93-F102 HydrophobicContact CD1-CB 3.89Å; L93-F102 HydrophobicContact CD1-CD1 3.25Å; L93-F102 HydrophobicContact CD1-CD2 4.47Å; L93-F102 HydrophobicContact CD1-CE1 3.83Å; L93-F102 HydrophobicContact CD1-CG 3.6Å; P97-F102 HydrophobicContact CG-CB 4.36Å; P97-F102 HydrophobicContact CG-CD2 4.2Å; C98-F102 PolarHBondContact O-N 3.23Å; A99-F102 PolarHBondContact O-N 3.49Å; L100-F102 VanDerWaalsContact C-N 3.25Å; L100-F102 PolarHBondContact O-N 2.94Å; F102-E105 WeakPolarHBondContact O-CB 3.4Å; F102-E105 PolarHBondContact O-N 3.42Å; F102-L106 HydrophobicContact CD1-CD1 4.03Å; F102-L106 HydrophobicContact CD1-CG 4.16Å; F102-L106 HydrophobicContact CE1-CD1 3.87Å; F102-L106 HydrophobicContact CE1-CD2 3.85Å; F102-L106 HydrophobicContact CE1-CG 3.95Å; F102-L106 HydrophobicContact CZ-CD2 3.88Å; F102-L106 HydrophobicContact CZ-CG 4.37Å; F102-L106 WeakPolarHBondContact O-CG 3.49Å; F102-L106 PolarHBondContact O-N 3.25Å
103R83.9Confident77.1Confident71 Ų7153.8 Ų53.827%0.26831%0.31SS..Hα-helixtrans-62.1-44173.4-174.9-163.368.2-177.12.3111.9A99 L100 A101 E105 L106 A107 E113 L124 E128A99-R103 PolarHBondContact O-N 3.35Å; A99-R103 VanDerWaalsContact O-N 3.1Å; L100-R103 WeakPolarHBondContact O-CB 3.32Å; L100-R103 PolarHBondContact O-N 2.97Å; L100-R103 VanDerWaalsContact O-N 3.12Å; A101-R103 VanDerWaalsContact C-N 3.34Å; R103-E105 PolarHBondContact O-N 3.42Å; R103-L106 WeakPolarHBondContact O-CB 3.42Å; R103-L106 PolarHBondContact O-N 3.05Å; R103-A107 PolarHBondContact O-N 3.38Å; R103-E113 WeakPolarHBondContact CG-OE1 3.46Å; R103-L124 HydrophobicContact CB-CD1 4.32Å; R103-E128 WeakPolarHBondContact CD-OE1 3.35Å; R103-E128 IonicContact CZ-OE1 2.71Å; R103-E128 IonicContact NE-OE1 2.8Å; R103-E128 IonicContact NH1-OE1 3.69Å; R103-E128 PolarHBondContact NH1-OE1 2.88Å
104D83.6Confident77.5Confident81 Ų8155.9 Ų55.943%0.43333%0.332SS..Hα-helixtrans-62.5-32.3178.5-58.5-22.1000110.9L100 A101 Y108L100-D104 PolarHBondContact O-N 2.71Å; L100-D104 VanDerWaalsContact O-N 3.14Å; A101-D104 PolarHBondContact O-N 3.29Å; D104-Y108 WeakPolarHBondContact O-CB 3.25Å; D104-Y108 PolarHBondContact O-N 2.86Å
105E87.3Confident78.3Confident20 Ų2056.2 Ų56.29%0.09333%0.327CS..Hα-helixtrans-67.7-46.5168.7-67.2-71165.800112R74 A78 A101 F102 R103 A107 Y108 W109R74-E105 IonicContact NE-OE1 3.24Å; R74-E105 IonicContact NE-OE2 3.34Å; A78-E105 HydrophobicContact CB-CB 4.06Å; A78-E105 HydrophobicContact CB-CG 3.64Å; A101-E105 WeakPolarHBondContact O-CG 3.23Å; A101-E105 PolarHBondContact O-N 3.37Å; A101-E105 VanDerWaalsContact O-N 3.13Å; F102-E105 WeakPolarHBondContact O-CB 3.4Å; F102-E105 PolarHBondContact O-N 3.42Å; R103-E105 PolarHBondContact O-N 3.42Å; E105-A107 VanDerWaalsContact C-N 3.28Å; E105-A107 PolarHBondContact O-N 2.92Å; E105-Y108 WeakPolarHBondContact O-CB 3.38Å; E105-Y108 PolarHBondContact O-N 2.83Å; E105-Y108 VanDerWaalsContact O-N 3.08Å; E105-W109 PolarHBondContact O-N 3.36Å; E105-W109 PolarHBondContact OE2-NE1 3.07Å; E105-W109 VanDerWaalsContact OE2-NE1 3.09Å
106L86Confident79.2Confident1 Ų145 Ų451%0.00529%0.285CS..Hα-helixtrans-56-43.9175.7-64.3176.9000112L91 F102 R103 W109 G110 I111 L116L91-L106 HydrophobicContact CD2-CD1 4.33Å; L91-L106 HydrophobicContact CD2-CD2 3.5Å; F102-L106 HydrophobicContact CD1-CD1 4.03Å; F102-L106 HydrophobicContact CD1-CG 4.16Å; F102-L106 HydrophobicContact CE1-CD1 3.87Å; F102-L106 HydrophobicContact CE1-CD2 3.85Å; F102-L106 HydrophobicContact CE1-CG 3.95Å; F102-L106 HydrophobicContact CZ-CD2 3.88Å; F102-L106 HydrophobicContact CZ-CG 4.37Å; F102-L106 WeakPolarHBondContact O-CG 3.49Å; F102-L106 PolarHBondContact O-N 3.25Å; R103-L106 WeakPolarHBondContact O-CB 3.42Å; R103-L106 PolarHBondContact O-N 3.05Å; L106-W109 PolarHBondContact O-N 3.17Å; L106-G110 PolarHBondContact O-N 3.45Å; L106-I111 HydrophobicContact CB-CB 4.41Å; L106-I111 HydrophobicContact CD2-CB 4.08Å; L106-I111 HydrophobicContact CD2-CD1 3.79Å; L106-I111 HydrophobicContact CD2-CG2 4.15Å; L106-I111 PolarHBondContact O-N 2.85Å; L106-L116 HydrophobicContact CD1-CD1 3.7Å
107A86.2Confident80.2Confident77 Ų7744.3 Ų44.364%0.63626%0.264SS*.Hα-helixtrans-63.4-43.1175.300000111.7R103 E105 W109 G110R103-A107 PolarHBondContact O-N 3.38Å; E105-A107 VanDerWaalsContact C-N 3.28Å; E105-A107 PolarHBondContact O-N 2.92Å; A107-W109 PolarHBondContact O-N 2.78Å; A107-G110 PolarHBondContact O-N 3.35Å
108Y87.3Confident81Confident26 Ų2652.8 Ų52.810%0.10229%0.292CS..Hα-helixtrans-58.9-47176.6179.1-89.2000112R43 F72 R74 D104 E105 G110R43-Y108 VanDerWaalsContact CZ-CD2 3.45Å; R43-Y108 VanDerWaalsContact CZ-CZ 3.48Å; R43-Y108 PolarHBondContact NE-O 2.83Å; R43-Y108 PolarHBondContact NH1-OH 3.43Å; R43-Y108 PolarHBondContact NH2-O 3.37Å; F72-Y108 HydrophobicContact CD1-CE1 4.35Å; F72-Y108 WeakPolarHBondContact CD1-OH 3.39Å; R74-Y108 HydrophobicContact CG-CD1 4.41Å; R74-Y108 HydrophobicContact CG-CE1 3.85Å; R74-Y108 HydrophobicContact CG-CE2 4.38Å; D104-Y108 WeakPolarHBondContact O-CB 3.25Å; D104-Y108 PolarHBondContact O-N 2.86Å; E105-Y108 WeakPolarHBondContact O-CB 3.38Å; E105-Y108 PolarHBondContact O-N 2.83Å; E105-Y108 VanDerWaalsContact O-N 3.08Å; Y108-G110 VanDerWaalsContact C-N 3.27Å; Y108-G110 PolarHBondContact O-N 3.46Å
109W86.9Confident81.4Confident0 Ų052.5 Ų52.50%029%0.29CS..Hα-helixtrans-79.4-7.3-179.8-63.8103.8000113.7V24 L41 A42 L44 F72 F79 I82 E105 L106 A107 I111V24-W109 HydrophobicContact CG1-CH2 4.5Å; V24-W109 HydrophobicContact CG1-CZ2 3.91Å; V24-W109 HydrophobicContact CG2-CH2 3.7Å; V24-W109 HydrophobicContact CG2-CZ2 3.87Å; L41-W109 CarbonylContact C-O 3.6Å; L41-W109 WeakPolarHBondContact CA-O 3.4Å; L41-W109 HydrophobicContact CD2-CB 4.13Å; A42-W109 PolarHBondContact N-O 3.48Å; L44-W109 HydrophobicContact CD1-CZ3 4.4Å; L44-W109 HydrophobicContact CD2-CE3 4.48Å; L44-W109 HydrophobicContact CD2-CZ3 3.77Å; L44-W109 HydrophobicContact CG-CE3 4.21Å; L44-W109 HydrophobicContact CG-CZ3 3.97Å; F72-W109 HydrophobicContact CB-CH2 4.17Å; F72-W109 AromaticContact CD1-CH2 3.83Å; F72-W109 HydrophobicContact CD1-CH2 3.83Å; F72-W109 HydrophobicContact CD1-CZ3 4.27Å; F72-W109 HydrophobicContact CD2-CH2 4.16Å; F72-W109 HydrophobicContact CE1-CH2 4.2Å; F72-W109 HydrophobicContact CE1-CZ3 4.19Å; F72-W109 AromaticContact CG-CH2 3.79Å; F72-W109 HydrophobicContact CG-CH2 3.79Å; F72-W109 HydrophobicContact CZ-CZ3 4.44Å; F79-W109 HydrophobicContact CD2-CD2 4.45Å; F79-W109 AromaticContact CD2-CE2 3.8Å; F79-W109 HydrophobicContact CD2-CH2 4.1Å; F79-W109 AromaticContact CD2-CZ2 3.61Å; F79-W109 HydrophobicContact CD2-CZ2 3.61Å; F79-W109 HydrophobicContact CE2-CD2 4.42Å; F79-W109 HydrophobicContact CE2-CE3 4.41Å; F79-W109 AromaticContact CE2-CH2 3.8Å; F79-W109 HydrophobicContact CE2-CH2 3.8Å; F79-W109 AromaticContact CE2-CZ2 3.81Å; F79-W109 HydrophobicContact CE2-CZ2 3.81Å; F79-W109 HydrophobicContact CE2-CZ3 4.12Å; I82-W109 HydrophobicContact CD1-CB 4.41Å; I82-W109 HydrophobicContact CD1-CG 3.84Å; E105-W109 PolarHBondContact O-N 3.36Å; E105-W109 PolarHBondContact OE2-NE1 3.07Å; E105-W109 VanDerWaalsContact OE2-NE1 3.09Å; L106-W109 PolarHBondContact O-N 3.17Å; A107-W109 PolarHBondContact O-N 2.78Å; W109-I111 HydrophobicContact CB-CD1 4.21Å; W109-I111 HydrophobicContact CB-CG1 4.3Å
110G81.3Confident81.6Confident40 Ų4052.7 Ų52.741%0.41229%0.29SS..THydrogen-bonded Turntrans74.533.9178.400000113.8L106 A107 Y108L106-G110 PolarHBondContact O-N 3.45Å; A107-G110 PolarHBondContact O-N 3.35Å; Y108-G110 VanDerWaalsContact C-N 3.27Å; Y108-G110 PolarHBondContact O-N 3.46Å
111I84.1Confident82Confident9 Ų951.8 Ų51.85%0.04629%0.286CS..  trans-95.1123.6178.3-58.8166.8000109.4L41 I82 L85 L91 L106 W109 E113L41-I111 HydrophobicContact CD2-CD1 3.35Å; L41-I111 HydrophobicContact CD2-CG1 3.4Å; I82-I111 HydrophobicContact CB-CD1 4.44Å; I82-I111 HydrophobicContact CD1-CD1 4.32Å; I82-I111 HydrophobicContact CG1-CD1 3.91Å; I82-I111 HydrophobicContact CG2-CD1 3.83Å; L85-I111 HydrophobicContact CD2-CD1 3.98Å; L85-I111 HydrophobicContact CD2-CG1 4.5Å; L85-I111 HydrophobicContact CD2-CG2 4.28Å; L91-I111 HydrophobicContact CD2-CG2 4.23Å; L106-I111 HydrophobicContact CB-CB 4.41Å; L106-I111 HydrophobicContact CD2-CB 4.08Å; L106-I111 HydrophobicContact CD2-CD1 3.79Å; L106-I111 HydrophobicContact CD2-CG2 4.15Å; L106-I111 PolarHBondContact O-N 2.85Å; W109-I111 HydrophobicContact CB-CD1 4.21Å; W109-I111 HydrophobicContact CB-CG1 4.3Å; I111-E113 PolarHBondContact O-N 3.41Å
112D82.3Confident82.1Confident108 Ų10858 Ų5858%0.57830%0.299SS*.  trans-65.1129.9169.8-168.4-27.5000111A114 R115D112-A114 PolarHBondContact O-N 3.37Å; D112-A114 VanDerWaalsContact O-N 3.17Å; D112-A114 WeakPolarHBondContact OD1-CB 3.12Å; D112-A114 PolarHBondContact OD1-N 3.4Å; D112-R115 WeakPolarHBondContact O-CB 3.28Å; D112-R115 PolarHBondContact O-N 2.9Å
113E80.6Confident82Confident58 Ų5864.8 Ų64.827%0.27132%0.324SS..G310 helixtrans-58-25.2176.7-62179.8-16700112.9R103 I111 R115 L116 L121 L124R103-E113 WeakPolarHBondContact CG-OE1 3.46Å; I111-E113 PolarHBondContact O-N 3.41Å; E113-R115 PolarHBondContact O-N 3.32Å; E113-L116 HydrophobicContact CB-CD1 4.48Å; E113-L116 WeakPolarHBondContact O-CB 3.3Å; E113-L116 WeakPolarHBondContact O-CD1 3.48Å; E113-L116 PolarHBondContact O-N 3.04Å; E113-L116 VanDerWaalsContact O-N 3.08Å; E113-L121 HydrophobicContact CB-CD1 4.32Å; E113-L124 HydrophobicContact CG-CD2 4.5Å
114A77.3Confident81.8Confident72 Ų7261.5 Ų61.560%0.59531%0.312SS*.G310 helixtrans-59.4-18.1175.300000113.3D112 L116D112-A114 PolarHBondContact O-N 3.37Å; D112-A114 VanDerWaalsContact O-N 3.17Å; D112-A114 WeakPolarHBondContact OD1-CB 3.12Å; D112-A114 PolarHBondContact OD1-N 3.4Å; A114-L116 VanDerWaalsContact C-N 3.3Å; A114-L116 PolarHBondContact O-N 2.59Å
115R77.4Confident81.8Confident92 Ų9264.1 Ų64.135%0.34732%0.316SS..G310 helixtrans-80.7-6.3178.6-59.7-178.567.2-132.83113.7P40 D112 E113P40-R115 VanDerWaalsContact CB-NH2 3.33Å; D112-R115 WeakPolarHBondContact O-CB 3.28Å; D112-R115 PolarHBondContact O-N 2.9Å; E113-R115 PolarHBondContact O-N 3.32Å
116L78.4Confident81.3Confident10 Ų1068.7 Ų68.75%0.05233%0.332CS..BIsolated β-bridgetrans-72.7144.6172.4-79.984.4000111.2L91 L106 E113 A114 C120 L121 L124L91-L116 HydrophobicContact CD2-CD1 3.49Å; L91-L116 VanDerWaalsContact CD2-CD1 3.49Å; L91-L116 HydrophobicContact CD2-CG 3.78Å; L91-L116 HydrophobicContact CG-CD1 4.47Å; L91-L116 HydrophobicContact CG-CG 4.25Å; L106-L116 HydrophobicContact CD1-CD1 3.7Å; E113-L116 HydrophobicContact CB-CD1 4.48Å; E113-L116 WeakPolarHBondContact O-CB 3.3Å; E113-L116 WeakPolarHBondContact O-CD1 3.48Å; E113-L116 PolarHBondContact O-N 3.04Å; E113-L116 VanDerWaalsContact O-N 3.08Å; A114-L116 VanDerWaalsContact C-N 3.3Å; A114-L116 PolarHBondContact O-N 2.59Å; L116-C120 HydrophobicContact CB-CB 4.27Å; L116-C120 HydrophobicContact CD2-CB 3.88Å; L116-L121 HydrophobicContact CB-CB 4.18Å; L116-L124 HydrophobicContact CD2-CD2 4.34Å
117E79.1Confident81Confident52 Ų5275.1 Ų75.124%0.24336%0.356CS..  trans-57.5146.1168.9-74.9-176.6168.500110.8K90 L91 R92 C119 C120 L121K90-E117 WeakPolarHBondContact CD-OE1 3.46Å; L91-E117 PolarHBondContact O-N 2.77Å; R92-E117 IonicContact CZ-OE1 3.26Å; R92-E117 IonicContact CZ-OE2 3.27Å; R92-E117 IonicContact NE-OE1 3.34Å; R92-E117 PolarHBondContact NE-OE1 3.01Å; R92-E117 IonicContact NE-OE2 2.77Å; R92-E117 PolarHBondContact NE-OE2 3.17Å; R92-E117 IonicContact NH2-OE1 2.95Å; R92-E117 PolarHBondContact NH2-OE1 2.97Å; R92-E117 IonicContact NH2-OE2 3.43Å; E117-C119 PolarHBondContact O-N 2.87Å; E117-C120 WeakPolarHBondContact O-CA 3.14Å; E117-C120 PolarHBondContact O-N 3.2Å; E117-L121 PolarHBondContact O-N 2.94Å
118R78.6Confident80.6Confident209 Ų20973.6 Ų73.679%0.78934%0.336SS*.Hα-helixtrans-51.8-28.9-175.9-67.9-179.1-179.3179-0.2114.6R122R118-R122 WeakPolarHBondContact O-CB 3.45Å; R118-R122 WeakPolarHBondContact O-CG 3.45Å; R118-R122 PolarHBondContact O-N 3.48Å; R118-R122 PolarHBondContact O-NE 3.41Å; R118-R122 VanDerWaalsContact O-NE 3.15Å
119C79.4Confident80Confident74 Ų7478 Ų7850%0.536%0.358SS..Hα-helixtrans-73.4-40175.959.50000112.2E117 R123E117-C119 PolarHBondContact O-N 2.87Å; C119-R123 WeakPolarHBondContact O-CB 3.27Å; C119-R123 PolarHBondContact O-N 3.08Å
120C79.2Confident79.2Confident14 Ų1481 Ų8110%0.09537%0.372CS..Hα-helixtrans-75.7-40.7-179.4-62.30000111L93 L116 E117 R123 L124L93-C120 HydrophobicContact CB-CB 4.15Å; L93-C120 PolarHBondContact N-SG 3.45Å; L93-C120 VanDerWaalsContact N-SG 3.45Å; L116-C120 HydrophobicContact CB-CB 4.27Å; L116-C120 HydrophobicContact CD2-CB 3.88Å; E117-C120 WeakPolarHBondContact O-CA 3.14Å; E117-C120 PolarHBondContact O-N 3.2Å; C120-R123 PolarHBondContact O-N 3.19Å; C120-L124 WeakPolarHBondContact O-CB 3.2Å; C120-L124 PolarHBondContact O-N 3.35Å
121L82.9Confident78.7Confident25 Ų2580.1 Ų80.113%0.13136%0.36CS..Hα-helixtrans-61.5-45.3175-176.363.2000111.8E113 L116 E117 R123 L124 R125E113-L121 HydrophobicContact CB-CD1 4.32Å; L116-L121 HydrophobicContact CB-CB 4.18Å; E117-L121 PolarHBondContact O-N 2.94Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 2.89Å; L121-L124 PolarHBondContact O-N 3.21Å; L121-R125 HydrophobicContact CD1-CG 4.5Å; L121-R125 WeakPolarHBondContact O-CG 3.42Å; L121-R125 PolarHBondContact O-N 3.45Å
122R81.4Confident78.1Confident178 Ų17882.4 Ų82.467%0.67238%0.38SS*.Hα-helixtrans-60.1-40174.5-83-173.1-81.8-169.5-3.1112.2R118 R126R118-R122 WeakPolarHBondContact O-CB 3.45Å; R118-R122 WeakPolarHBondContact O-CG 3.45Å; R118-R122 PolarHBondContact O-N 3.48Å; R118-R122 PolarHBondContact O-NE 3.41Å; R118-R122 VanDerWaalsContact O-NE 3.15Å; R122-R126 VanDerWaalsContact O-CB 3.31Å; R122-R126 WeakPolarHBondContact O-CB 3.34Å; R122-R126 PolarHBondContact O-N 3.03Å; R122-R126 VanDerWaalsContact O-N 3.12Å
123R79.1Confident77.4Confident144 Ų14484 Ų8454%0.54338%0.384SS..Hα-helixtrans-67.8-39177.6-171.6-178.9-124.9-132.9-1112.1C119 C120 L121 R127C119-R123 WeakPolarHBondContact O-CB 3.27Å; C119-R123 PolarHBondContact O-N 3.08Å; C120-R123 PolarHBondContact O-N 3.19Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 2.89Å; R123-R127 VanDerWaalsContact O-CG 3.31Å; R123-R127 WeakPolarHBondContact O-CG 3.5Å; R123-R127 PolarHBondContact O-N 3.17Å
124L80.4Confident76.6Confident1 Ų184.4 Ų84.41%0.00540%0.398CS..Hα-helixtrans-64.6-55.5177.1-177.661000110.6A99 R103 E113 L116 C120 L121 R126 R127 E128A99-L124 HydrophobicContact CB-CD1 3.93Å; A99-L124 WeakPolarHBondContact O-CD1 3.44Å; R103-L124 HydrophobicContact CB-CD1 4.32Å; E113-L124 HydrophobicContact CG-CD2 4.5Å; L116-L124 HydrophobicContact CD2-CD2 4.34Å; C120-L124 WeakPolarHBondContact O-CB 3.2Å; C120-L124 PolarHBondContact O-N 3.35Å; L121-L124 PolarHBondContact O-N 3.21Å; L124-R126 VanDerWaalsContact C-N 3.32Å; L124-R126 PolarHBondContact O-N 3.45Å; L124-R127 WeakPolarHBondContact O-CA 3.42Å; L124-R127 WeakPolarHBondContact O-CB 3.31Å; L124-R127 PolarHBondContact O-N 2.95Å; L124-E128 PolarHBondContact O-N 3.4Å
125R82.3Confident75.9Confident136 Ų13690.1 Ų90.151%0.51340%0.404SS..Hα-helixtrans-55.4-44.8178.9-71.8-179.6-179.7177.2-1.7112.9L121 R127 E128 E129L121-R125 HydrophobicContact CD1-CG 4.5Å; L121-R125 WeakPolarHBondContact O-CG 3.42Å; L121-R125 PolarHBondContact O-N 3.45Å; R125-R127 VanDerWaalsContact C-N 3.27Å; R125-R127 PolarHBondContact O-N 3.25Å; R125-E128 WeakPolarHBondContact O-CB 3.31Å; R125-E128 PolarHBondContact O-N 3.06Å; R125-E128 VanDerWaalsContact O-N 3.08Å; R125-E129 WeakPolarHBondContact O-CG 3.31Å; R125-E129 PolarHBondContact O-N 2.95Å
126R77.8Confident75Confident117 Ų11788.1 Ų88.144%0.44241%0.407SS..Hα-helixtrans-58-40.5175.4-178.8-176.8167.5157.217.5112.3R122 L124 E128 E130R122-R126 VanDerWaalsContact O-CB 3.31Å; R122-R126 WeakPolarHBondContact O-CB 3.34Å; R122-R126 PolarHBondContact O-N 3.03Å; R122-R126 VanDerWaalsContact O-N 3.12Å; L124-R126 VanDerWaalsContact C-N 3.32Å; L124-R126 PolarHBondContact O-N 3.45Å; R126-E128 VanDerWaalsContact C-N 3.32Å; R126-E130 IonicContact CZ-OE1 3.9Å; R126-E130 IonicContact NE-OE1 3.03Å; R126-E130 PolarHBondContact NE-OE1 3.33Å; R126-E130 IonicContact NH2-OE1 3.26Å; R126-E130 PolarHBondContact NH2-OE1 2.87Å; R126-E130 WeakPolarHBondContact O-CB 3.43Å; R126-E130 VanDerWaalsContact O-CG 3.23Å; R126-E130 WeakPolarHBondContact O-CG 3.5Å; R126-E130 PolarHBondContact O-N 3.27Å
127R78.4Confident73.8Confident135 Ų13588.9 Ų88.951%0.50942%0.417SS..Hα-helixtrans-70.6-30.6177.9-73.6-71-172.4162.21.7112.1A99 R123 L124 R125 E130 A131A99-R127 HydrophobicContact CB-CB 3.94Å; A99-R127 HydrophobicContact CB-CG 3.96Å; R123-R127 VanDerWaalsContact O-CG 3.31Å; R123-R127 WeakPolarHBondContact O-CG 3.5Å; R123-R127 PolarHBondContact O-N 3.17Å; L124-R127 WeakPolarHBondContact O-CA 3.42Å; L124-R127 WeakPolarHBondContact O-CB 3.31Å; L124-R127 PolarHBondContact O-N 2.95Å; R125-R127 VanDerWaalsContact C-N 3.27Å; R125-R127 PolarHBondContact O-N 3.25Å; R127-E130 WeakPolarHBondContact CD-OE2 3.37Å; R127-E130 IonicContact NE-OE2 3.8Å; R127-E130 IonicContact NH1-OE2 3.49Å; R127-A131 VanDerWaalsContact O-CB 3.24Å; R127-A131 WeakPolarHBondContact O-CB 3.29Å; R127-A131 PolarHBondContact O-N 3.31Å
128E77.9Confident72.4Confident46 Ų4692.3 Ų92.322%0.21544%0.444CS..Hα-helixtrans-69.6-45.8172.5-65.3-175.9123.800111.8L100 R103 L124 R125 R126 A131 A132L100-E128 HydrophobicContact CD2-CG 3.94Å; R103-E128 WeakPolarHBondContact CD-OE1 3.35Å; R103-E128 IonicContact CZ-OE1 2.71Å; R103-E128 IonicContact NE-OE1 2.8Å; R103-E128 IonicContact NH1-OE1 3.69Å; R103-E128 PolarHBondContact NH1-OE1 2.88Å; L124-E128 PolarHBondContact O-N 3.4Å; R125-E128 WeakPolarHBondContact O-CB 3.31Å; R125-E128 PolarHBondContact O-N 3.06Å; R125-E128 VanDerWaalsContact O-N 3.08Å; R126-E128 VanDerWaalsContact C-N 3.32Å; E128-A131 CarbonylContact O-C 3.52Å; E128-A131 PolarHBondContact O-N 3.33Å; E128-A131 VanDerWaalsContact O-N 3.16Å; E128-A132 VanDerWaalsContact O-CB 3.27Å; E128-A132 WeakPolarHBondContact O-CB 3.32Å; E128-A132 PolarHBondContact O-N 3.43Å
129E75.8Confident71Confident118 Ų11885.6 Ų85.655%0.55143%0.433SS*.Hα-helixtrans-57.1-50.3173.6-71166.7-177.200110.3R125 A131 A132 E133R125-E129 WeakPolarHBondContact O-CG 3.31Å; R125-E129 PolarHBondContact O-N 2.95Å; E129-A131 VanDerWaalsContact C-N 3.26Å; E129-A131 PolarHBondContact O-N 3Å; E129-A132 PolarHBondContact O-N 3.23Å; E129-E133 WeakPolarHBondContact O-CB 3.5Å; E129-E133 VanDerWaalsContact O-CG 3.31Å; E129-E133 WeakPolarHBondContact O-CG 3.28Å; E129-E133 PolarHBondContact O-N 3Å
130E70.7Confident69.1Low64 Ų6488.7 Ų88.730%0.29944%0.44SS..Hα-helixtrans-58.5-35.7176.3-74.5170.7-172.700112.4R126 R127 A134R126-E130 IonicContact CZ-OE1 3.9Å; R126-E130 IonicContact NE-OE1 3.03Å; R126-E130 PolarHBondContact NE-OE1 3.33Å; R126-E130 IonicContact NH2-OE1 3.26Å; R126-E130 PolarHBondContact NH2-OE1 2.87Å; R126-E130 WeakPolarHBondContact O-CB 3.43Å; R126-E130 VanDerWaalsContact O-CG 3.23Å; R126-E130 WeakPolarHBondContact O-CG 3.5Å; R126-E130 PolarHBondContact O-N 3.27Å; R127-E130 WeakPolarHBondContact CD-OE2 3.37Å; R127-E130 IonicContact NE-OE2 3.8Å; R127-E130 IonicContact NH1-OE2 3.49Å; E130-A134 VanDerWaalsContact O-CB 3.31Å; E130-A134 WeakPolarHBondContact O-CB 3.49Å; E130-A134 PolarHBondContact O-N 3.37Å
131A70.4Confident67.4Low21 Ų2195.1 Ų95.117%0.17447%0.473CS..Hα-helixtrans-79.4-35.8178.600000113.1L100 R127 E128 E129 A134 R135L100-A131 HydrophobicContact CD1-CB 3.63Å; L100-A131 HydrophobicContact CD2-CB 4.21Å; R127-A131 VanDerWaalsContact O-CB 3.24Å; R127-A131 WeakPolarHBondContact O-CB 3.29Å; R127-A131 PolarHBondContact O-N 3.31Å; E128-A131 CarbonylContact O-C 3.52Å; E128-A131 PolarHBondContact O-N 3.33Å; E128-A131 VanDerWaalsContact O-N 3.16Å; E129-A131 VanDerWaalsContact C-N 3.26Å; E129-A131 PolarHBondContact O-N 3Å; A131-A134 PolarHBondContact O-N 2.94Å; A131-R135 WeakPolarHBondContact O-CB 3.41Å; A131-R135 VanDerWaalsContact O-CG 3.3Å; A131-R135 WeakPolarHBondContact O-CG 3.48Å; A131-R135 PolarHBondContact O-N 3.37Å
132A71.6Confident65.5Low56 Ų5696.3 Ų96.346%0.46349%0.492SS..Hα-helixtrans-66.2-43.9173.600000110E128 E129 A134 R135 A136E128-A132 VanDerWaalsContact O-CB 3.27Å; E128-A132 WeakPolarHBondContact O-CB 3.32Å; E128-A132 PolarHBondContact O-N 3.43Å; E129-A132 PolarHBondContact O-N 3.23Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.9Å; A132-R135 PolarHBondContact O-N 2.91Å; A132-A136 VanDerWaalsContact O-CB 3.22Å; A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 3.49Å
133E67.3Low63.3Low141 Ų14191.6 Ų91.666%0.65949%0.491SS*.Hα-helixtrans-61.7-40.3171.8-73.2177.6-177.700111.9E129 R135 A136 G137E129-E133 WeakPolarHBondContact O-CB 3.5Å; E129-E133 VanDerWaalsContact O-CG 3.31Å; E129-E133 WeakPolarHBondContact O-CG 3.28Å; E129-E133 PolarHBondContact O-N 3Å; E133-R135 VanDerWaalsContact C-N 3.33Å; E133-R135 PolarHBondContact O-N 3.24Å; E133-A136 CarbonylContact O-C 3.54Å; E133-A136 PolarHBondContact O-N 3.44Å; E133-G137 PolarHBondContact O-N 3.18Å
134A63.4Low61.1Low68 Ų6894.3 Ų94.356%0.56251%0.509SS*.Hα-helixtrans-66-34.2175.500000112.9E130 A131 A132E130-A134 VanDerWaalsContact O-CB 3.31Å; E130-A134 WeakPolarHBondContact O-CB 3.49Å; E130-A134 PolarHBondContact O-N 3.37Å; A131-A134 PolarHBondContact O-N 2.94Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.9Å
135R63.3Low59Low192 Ų19297.1 Ų97.173%0.72554%0.539SS*.Hα-helixtrans-75.2-36174-73.5174.5-180-177-0.6112.4A131 A132 E133 G137A131-R135 WeakPolarHBondContact O-CB 3.41Å; A131-R135 VanDerWaalsContact O-CG 3.3Å; A131-R135 WeakPolarHBondContact O-CG 3.48Å; A131-R135 PolarHBondContact O-N 3.37Å; A132-R135 PolarHBondContact O-N 2.91Å; E133-R135 VanDerWaalsContact C-N 3.33Å; E133-R135 PolarHBondContact O-N 3.24Å; R135-G137 VanDerWaalsContact C-N 3.3Å
136A58Low56.6Low50 Ų5096.1 Ų96.141%0.41355%0.553SS.*Hα-helixtrans-80.1-8.4176.200000113.4A132 E133A132-A136 VanDerWaalsContact O-CB 3.22Å; A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 3.49Å; E133-A136 CarbonylContact O-C 3.54Å; E133-A136 PolarHBondContact O-N 3.44Å
137G53.3Low55Low25 Ų2596.4 Ų96.426%0.25857%0.57SS.*SBendtrans-51.2169.2163.500000111.3E133 R135 A139 E140E133-G137 PolarHBondContact O-N 3.18Å; R135-G137 VanDerWaalsContact C-N 3.3Å; G137-A139 WeakPolarHBondContact O-CA 3.42Å; G137-A139 PolarHBondContact O-N 2.88Å; G137-E140 PolarHBondContact O-N 3.26Å
138P50.2Low53.5Low125 Ų12594.4 Ų94.481%0.81258%0.582SS**THydrogen-bonded Turntrans-49.5-2.8-144.618.4-33.6000120.2
139A47.4Very low51.5Low68 Ų68104.3 Ų104.356%0.56262%0.618SS**THydrogen-bonded Turntrans-58.3-37166.400000113.7G137 G142 A143G137-A139 WeakPolarHBondContact O-CA 3.42Å; G137-A139 PolarHBondContact O-N 2.88Å; A139-G142 PolarHBondContact O-N 3.43Å; A139-G142 VanDerWaalsContact O-N 3.08Å; A139-A143 WeakPolarHBondContact O-CB 3.39Å; A139-A143 PolarHBondContact O-N 2.96Å; A139-A143 VanDerWaalsContact O-N 3.07Å
140E41.1Very low49.6Very low138 Ų138103.4 Ų103.465%0.64563%0.63SS**THydrogen-bonded Turntrans-78-22.9-175.7-71.4-152.614400115.1G137 G142G137-E140 PolarHBondContact O-N 3.26Å; E140-G142 PolarHBondContact O-N 3.39Å
141L42.6Very low48.4Very low149 Ų149109.1 Ų109.178%0.7866%0.662SS**THydrogen-bonded Turntrans-77.6-10.3166.3-103.792.1000112.9
142G42.4Very low47.3Very low51 Ų51109.5 Ų109.553%0.52667%0.668SS.*THydrogen-bonded Turntrans-103.4-17-179.400000115.4A139 E140A139-G142 PolarHBondContact O-N 3.43Å; A139-G142 VanDerWaalsContact O-N 3.08Å; E140-G142 PolarHBondContact O-N 3.39Å
143A37Very low46.5Very low79 Ų79111.8 Ų111.865%0.65368%0.678SS**THydrogen-bonded Turntrans-986-165.400000116.2A139 G145A139-A143 WeakPolarHBondContact O-CB 3.39Å; A139-A143 PolarHBondContact O-N 2.96Å; A139-A143 VanDerWaalsContact O-N 3.07Å; A143-G145 PolarHBondContact O-N 3.1Å
144Q32.7Very low45.9Very low200 Ų200115.5 Ų115.594%0.93569%0.686SS**THydrogen-bonded Turntrans-84.710.9167.8-85.6-176.512.900114.1
145G36.4Very low45.7Very low60 Ų60114 Ų11462%0.61968%0.677SS**SBendtrans-97.4103.1170.900000111.5A143A143-G145 PolarHBondContact O-N 3.1Å
146S31.3Very low46Very low116 Ų116114.3 Ų114.381%0.81168%0.678SS**  trans-43146.1168.5-77.20000113.1
147P44.4Very low46.6Very low122 Ų122117.7 Ų117.779%0.79269%0.689SS**SBendtrans-71.1137.8179.331.1-31.9000110.1
148A45.4Very low47.5Very low94 Ų94121.9 Ų121.978%0.77770%0.701SS**  trans49.588.4156.400000117.4
149R36Very low48.7Very low254 Ų254124.5 Ų124.596%0.95870%0.695SS**  trans-157.3129.9140.7-111.4165.5-175.8172.51.3112
150A37Very low50Low99 Ų99123.1 Ų123.182%0.81869%0.688SS**  trans78.1101.6169.900000118.4G152A150-G152 PolarHBondContact O-N 3.41Å
151L45.1Very low51.8Low183 Ų183123 Ų12396%0.95868%0.681SS**  trans-70.271.8166.3-140.885.7000110.6
152G47.1Very low53.4Low29 Ų29123.5 Ų123.530%0.29967%0.673SS.*  trans-83.2165.4173.500000113.2A150 R154 G155A150-G152 PolarHBondContact O-N 3.41Å; G152-R154 PolarHBondContact O-N 2.61Å; G152-G155 PolarHBondContact O-N 2.95Å
153P54.9Low55Low105 Ų105129.7 Ų129.768%0.68268%0.68SS**Hα-helixtrans-54.8-23.4172.918.2-29.2000113.6G155 R156 L157P153-G155 VanDerWaalsContact C-N 3.31Å; P153-G155 PolarHBondContact O-N 3.47Å; P153-R156 PolarHBondContact O-N 3.36Å; P153-L157 PolarHBondContact O-N 2.96Å
154R54.7Low57.1Low218 Ų218129.3 Ų129.382%0.82367%0.667SS**Hα-helixtrans-60.9-32.6170.2-79.2-179163.8156.3-3.6113.6G152 Q158G152-R154 PolarHBondContact O-N 2.61Å; R154-Q158 VanDerWaalsContact O-CB 3.29Å; R154-Q158 WeakPolarHBondContact O-CB 3.32Å; R154-Q158 PolarHBondContact O-N 2.87Å
155G60.3Low59.4Low36 Ų36124.3 Ų124.337%0.37164%0.639SS.*Hα-helixtrans-70.1-34.6178.900000113.6G152 P153 R159G152-G155 PolarHBondContact O-N 2.95Å; P153-G155 VanDerWaalsContact C-N 3.31Å; P153-G155 PolarHBondContact O-N 3.47Å; G155-R159 VanDerWaalsContact O-CB 3.31Å; G155-R159 WeakPolarHBondContact O-CB 3.36Å; G155-R159 PolarHBondContact O-N 2.96Å
156R68.8Low61.3Low200 Ų200124.8 Ų124.876%0.75563%0.628SS**Hα-helixtrans-69.1-43.8174.3-79.1-170.8-83.2-122.20.1111.7P153 Q158 R159 G160P153-R156 PolarHBondContact O-N 3.36Å; R156-Q158 VanDerWaalsContact C-N 3.35Å; R156-Q158 PolarHBondContact O-N 2.84Å; R156-R159 PolarHBondContact O-N 2.81Å; R156-G160 PolarHBondContact O-N 2.9Å
157L71.3Confident63.7Low120 Ų120121.2 Ų121.263%0.62860%0.601SS**Hα-helixtrans-63.8-41176.4-164.874.5000111.6P153 G160 R161P153-L157 PolarHBondContact O-N 2.96Å; L157-G160 PolarHBondContact O-N 3.5Å; L157-R161 WeakPolarHBondContact O-CG 3.29Å; L157-R161 PolarHBondContact O-N 3.47Å
158Q71.8Confident65.5Low113 Ų113116 Ų11653%0.52857%0.567SS.*Hα-helixtrans-67.8-38.3177.9-163.8173.413.600112.1R154 R156 R161 R162R154-Q158 VanDerWaalsContact O-CB 3.29Å; R154-Q158 WeakPolarHBondContact O-CB 3.32Å; R154-Q158 PolarHBondContact O-N 2.87Å; R156-Q158 VanDerWaalsContact C-N 3.35Å; R156-Q158 PolarHBondContact O-N 2.84Å; Q158-R161 PolarHBondContact O-N 3.14Å; Q158-R162 WeakPolarHBondContact O-CG 3.43Å; Q158-R162 PolarHBondContact O-N 2.99Å
159R74.6Confident67Low181 Ų181115 Ų11568%0.68355%0.548SS*.Hα-helixtrans-66.2-38.7173-167.7178-82.6-168.6-5.6111.9G155 R156 R162 R163G155-R159 VanDerWaalsContact O-CB 3.31Å; G155-R159 WeakPolarHBondContact O-CB 3.36Å; G155-R159 PolarHBondContact O-N 2.96Å; R156-R159 PolarHBondContact O-N 2.81Å; R159-R162 PolarHBondContact O-N 2.55Å; R159-R163 PolarHBondContact O-N 2.75Å
160G75.4Confident68.7Low39 Ų39106.8 Ų106.840%0.40252%0.524SS..Hα-helixtrans-63.8-45.1172.600000112.9R156 L157 R162 R163 L164R156-G160 PolarHBondContact O-N 2.9Å; L157-G160 PolarHBondContact O-N 3.5Å; G160-R162 PolarHBondContact O-N 2.86Å; G160-R163 PolarHBondContact O-N 3.32Å; G160-L164 WeakPolarHBondContact O-CB 3.42Å; G160-L164 PolarHBondContact O-N 2.78Å
161R78.3Confident70.4Confident135 Ų135104.7 Ų104.751%0.50950%0.502SS..Hα-helixtrans-63-38.4175.3-73178.791.3178.75.7112.5L157 Q158 L164 R165 L239L157-R161 WeakPolarHBondContact O-CG 3.29Å; L157-R161 PolarHBondContact O-N 3.47Å; Q158-R161 PolarHBondContact O-N 3.14Å; R161-L164 PolarHBondContact O-N 3.48Å; R161-R165 WeakPolarHBondContact O-CB 3.1Å; R161-R165 PolarHBondContact O-N 2.93Å; R161-L239 PolarHBondContact NH2-O 2.81Å
162R76Confident71.5Confident159 Ų159100.8 Ų100.860%0.648%0.478SS*.Hα-helixtrans-63.7-49.4174-76.4-177.8-177.7-1700.9111.6Q158 R159 G160 L164 R165 D166Q158-R162 WeakPolarHBondContact O-CG 3.43Å; Q158-R162 PolarHBondContact O-N 2.99Å; R159-R162 PolarHBondContact O-N 2.55Å; G160-R162 PolarHBondContact O-N 2.86Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 3.22Å; R162-R165 WeakPolarHBondContact O-CA 3.3Å; R162-R165 WeakPolarHBondContact O-CB 3.43Å; R162-R165 PolarHBondContact O-N 2.74Å; R162-R165 VanDerWaalsContact O-N 3.08Å; R162-D166 VanDerWaalsContact O-CG 3.28Å; R162-D166 PolarHBondContact O-N 3.34Å
163R77Confident72.6Confident182 Ų182102 Ų10269%0.68748%0.482SS*.Hα-helixtrans-58.6-41.8175.6-78.5-171.9-179.6-93.72.7112.6R159 G160 R165 D166 V167R159-R163 PolarHBondContact O-N 2.75Å; G160-R163 PolarHBondContact O-N 3.32Å; R163-R165 VanDerWaalsContact C-N 3.32Å; R163-D166 PolarHBondContact O-N 2.98Å; R163-V167 WeakPolarHBondContact O-CG2 3.41Å; R163-V167 PolarHBondContact O-N 2.71Å
164L79.9Confident73.8Confident71 Ų7198.5 Ų98.537%0.37247%0.465SS..Hα-helixtrans-63.4-39.9176.2-175.766.2000111.6G160 R161 R162 V167 V168 L236G160-L164 WeakPolarHBondContact O-CB 3.42Å; G160-L164 PolarHBondContact O-N 2.78Å; R161-L164 PolarHBondContact O-N 3.48Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 3.22Å; L164-V167 PolarHBondContact O-N 2.83Å; L164-V168 HydrophobicContact CD1-CG2 4.17Å; L164-V168 HydrophobicContact CG-CG2 4.41Å; L164-V168 WeakPolarHBondContact O-CB 3.39Å; L164-V168 VanDerWaalsContact O-CG2 3.28Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 3.23Å; L164-L236 HydrophobicContact CD2-CD2 4.42Å
165R81.2Confident75.3Confident94 Ų9495.5 Ų95.536%0.35547%0.465SS..Hα-helixtrans-62-45174.3-168.3-177.7-72.8-164.33112.5R161 R162 R163 V167 V168 D169 Q240R161-R165 WeakPolarHBondContact O-CB 3.1Å; R161-R165 PolarHBondContact O-N 2.93Å; R162-R165 WeakPolarHBondContact O-CA 3.3Å; R162-R165 WeakPolarHBondContact O-CB 3.43Å; R162-R165 PolarHBondContact O-N 2.74Å; R162-R165 VanDerWaalsContact O-N 3.08Å; R163-R165 VanDerWaalsContact C-N 3.32Å; R165-V167 VanDerWaalsContact C-N 3.29Å; R165-V167 PolarHBondContact O-N 2.74Å; R165-V168 PolarHBondContact O-N 2.8Å; R165-D169 WeakPolarHBondContact CG-OD2 3.43Å; R165-D169 WeakPolarHBondContact O-CB 3.41Å; R165-D169 PolarHBondContact O-N 3.48Å; R165-Q240 PolarHBondContact NH2-O 3.04Å
166D76.1Confident76.4Confident70 Ų7096.3 Ų96.337%0.37447%0.468SS..Hα-helixtrans-63.1-38.2177.3-61.9-31.2000111.4R162 R163 N170 S173R162-D166 VanDerWaalsContact O-CG 3.28Å; R162-D166 PolarHBondContact O-N 3.34Å; R163-D166 PolarHBondContact O-N 2.98Å; D166-N170 CarbonylContact O-C 3.58Å; D166-N170 WeakPolarHBondContact O-CA 3.31Å; D166-N170 VanDerWaalsContact O-CB 3.25Å; D166-N170 WeakPolarHBondContact O-CB 3.36Å; D166-N170 PolarHBondContact O-N 3.37Å; D166-N170 VanDerWaalsContact O-N 3.14Å; D166-S173 WeakPolarHBondContact O-CB 3.45Å; D166-S173 PolarHBondContact O-OG 2.75Å
167V82.9Confident77.2Confident42 Ų4286.8 Ų86.826%0.25543%0.432SS..Hα-helixtrans-69.7-39.6177.2172.30000112.5R163 L164 R165 A176 F180R163-V167 WeakPolarHBondContact O-CG2 3.41Å; R163-V167 PolarHBondContact O-N 2.71Å; L164-V167 PolarHBondContact O-N 2.83Å; R165-V167 VanDerWaalsContact C-N 3.29Å; R165-V167 PolarHBondContact O-N 2.74Å; V167-A176 HydrophobicContact CG1-CB 4.23Å; V167-A176 HydrophobicContact CG2-CB 4.14Å; V167-F180 HydrophobicContact CG1-CB 4.37Å
168V82.8Confident78Confident11 Ų1187.1 Ų87.17%0.06743%0.429CS..Hα-helixtrans-83.9-37.4-173.2173.20000113.1L164 R165 F180 L236 R237L164-V168 HydrophobicContact CD1-CG2 4.17Å; L164-V168 HydrophobicContact CG-CG2 4.41Å; L164-V168 WeakPolarHBondContact O-CB 3.39Å; L164-V168 VanDerWaalsContact O-CG2 3.28Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 3.23Å; R165-V168 PolarHBondContact O-N 2.8Å; V168-F180 HydrophobicContact CB-CE1 4.33Å; V168-F180 HydrophobicContact CG1-CE1 4.05Å; V168-F180 HydrophobicContact CG1-CZ 4.28Å; V168-F180 HydrophobicContact CG2-CE1 4.3Å; V168-F180 HydrophobicContact CG2-CZ 4.19Å; V168-L236 HydrophobicContact CG2-CD1 4.25Å; V168-R237 HydrophobicContact CG1-CG 3.59Å
169D76.5Confident78.9Confident73 Ų7387.1 Ų87.139%0.3943%0.431SS..Hα-helixtrans-98.6-29.8-174.8-68.4-26.8000112.9R165 P171R165-D169 WeakPolarHBondContact CG-OD2 3.43Å; R165-D169 WeakPolarHBondContact O-CB 3.41Å; R165-D169 PolarHBondContact O-N 3.48Å; D169-P171 WeakPolarHBondContact O-CD 3.22Å
170N72Confident79.6Confident83 Ų8379.8 Ų79.844%0.44441%0.405SS..  trans-106.7102.1-179.4-73.8-37.2000111.6D166 H172 S173D166-N170 CarbonylContact O-C 3.58Å; D166-N170 WeakPolarHBondContact O-CA 3.31Å; D166-N170 VanDerWaalsContact O-CB 3.25Å; D166-N170 WeakPolarHBondContact O-CB 3.36Å; D166-N170 PolarHBondContact O-N 3.37Å; D166-N170 VanDerWaalsContact O-N 3.14Å; N170-H172 PolarHBondContact O-N 3.33Å; N170-S173 WeakPolarHBondContact O-CB 3.24Å; N170-S173 PolarHBondContact O-N 3.43Å; N170-S173 VanDerWaalsContact O-N 3.14Å; N170-S173 PolarHBondContact O-OG 3.21Å
171P71.7Confident80.2Confident54 Ų5478.8 Ų78.835%0.35139%0.392SS..THydrogen-bonded Turntrans-64.2-14.3177.424.6-32.5000113.4D169 K178 A181D169-P171 WeakPolarHBondContact O-CD 3.22Å; P171-K178 VanDerWaalsContact O-CG 3.24Å; P171-K178 WeakPolarHBondContact O-CG 3.38Å; P171-K178 PolarHBondContact O-N 3.47Å; P171-A181 HydrophobicContact CB-CB 3.8Å
172H67.8Low80.8Confident101 Ų10175.9 Ų75.947%0.46839%0.392SS..THydrogen-bonded Turntrans-100.31.9179.8-59.4-66.3000114.3N170 G174 Q420 T424N170-H172 PolarHBondContact O-N 3.33Å; H172-G174 PolarHBondContact O-N 3.47Å; H172-G174 VanDerWaalsContact O-N 3.09Å; H172-Q420 PolarHBondContact NE2-NE2 3.13Å; H172-Q420 VanDerWaalsContact NE2-NE2 3.17Å; H172-T424 HydrophobicContact CB-CG2 4.39Å
173S70Confident81.5Confident54 Ų5470.4 Ų70.438%0.37838%0.376SS..SBendtrans-67.5-7.9-176.759.90000115D166 N170D166-S173 WeakPolarHBondContact O-CB 3.45Å; D166-S173 PolarHBondContact O-OG 2.75Å; N170-S173 WeakPolarHBondContact O-CB 3.24Å; N170-S173 PolarHBondContact O-N 3.43Å; N170-S173 VanDerWaalsContact O-N 3.14Å; N170-S173 PolarHBondContact O-OG 3.21Å
174G81.8Confident82.2Confident32 Ų3261.8 Ų61.833%0.3334%0.344SS..SBendtrans151.1-167.417700000112.6H172 A176 G177 K178H172-G174 PolarHBondContact O-N 3.47Å; H172-G174 VanDerWaalsContact O-N 3.09Å; G174-A176 VanDerWaalsContact C-N 3.31Å; G174-A176 PolarHBondContact O-N 3.17Å; G174-G177 PolarHBondContact O-N 3.42Å; G174-K178 WeakPolarHBondContact O-CG 3.48Å; G174-K178 PolarHBondContact O-N 3.19Å; G174-K178 VanDerWaalsContact O-N 3.12Å
175L84.5Confident82.7Confident155 Ų15561 Ų6181%0.81234%0.342SS*.Hα-helixtrans-59.8-41.9177.2-166.592.6000111.7K178 L179L175-K178 PolarHBondContact O-N 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 PolarHBondContact O-N 2.97Å
176A85.2Confident83.2Confident54 Ų5459.5 Ų59.545%0.44635%0.346SS..Hα-helixtrans-64.3-42.4-179.500000112.6V167 G174 L179 F180V167-A176 HydrophobicContact CG1-CB 4.23Å; V167-A176 HydrophobicContact CG2-CB 4.14Å; G174-A176 VanDerWaalsContact C-N 3.31Å; G174-A176 PolarHBondContact O-N 3.17Å; A176-L179 PolarHBondContact O-N 3.38Å; A176-F180 WeakPolarHBondContact O-CB 3.37Å; A176-F180 PolarHBondContact O-N 3.41Å
177G85.6Confident84Confident0 Ų058.4 Ų58.40%034%0.338CS..Hα-helixtrans-65.8-40.4175.900000112.4G174 F180 A181G174-G177 PolarHBondContact O-N 3.42Å; G177-F180 PolarHBondContact O-N 3.12Å; G177-A181 WeakPolarHBondContact O-CB 3.41Å; G177-A181 PolarHBondContact O-N 3.4Å
178K87.4Confident84.5Confident127 Ų12756.8 Ų56.855%0.55233%0.328SS*.Hα-helixtrans-62.4-45.4173.7-70.8177.3-176.8178.70111.9P171 G174 L175 A181 C182P171-K178 VanDerWaalsContact O-CG 3.24Å; P171-K178 WeakPolarHBondContact O-CG 3.38Å; P171-K178 PolarHBondContact O-N 3.47Å; G174-K178 WeakPolarHBondContact O-CG 3.48Å; G174-K178 PolarHBondContact O-N 3.19Å; G174-K178 VanDerWaalsContact O-N 3.12Å; L175-K178 PolarHBondContact O-N 3.26Å; K178-A181 PolarHBondContact O-N 2.92Å; K178-C182 VanDerWaalsContact O-CB 3.26Å; K178-C182 WeakPolarHBondContact O-CB 3.39Å; K178-C182 PolarHBondContact O-N 3.48Å
179L90Very high84.9Confident112 Ų11258.8 Ų58.859%0.58635%0.345SS*.Hα-helixtrans-62.9-47.7178.1-178.765.3000110.9L175 A176 A181 C182 V183L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 PolarHBondContact O-N 2.97Å; A176-L179 PolarHBondContact O-N 3.38Å; L179-A181 PolarHBondContact O-N 3.45Å; L179-C182 WeakPolarHBondContact O-CB 3.31Å; L179-C182 PolarHBondContact O-N 2.76Å; L179-V183 HydrophobicContact CD1-CG2 4.38Å; L179-V183 VanDerWaalsContact O-CG2 3.3Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.3Å
180F90.2Very high85.7Confident28 Ų2858 Ų5812%0.12334%0.343CS..Hα-helixtrans-58.4-49177.7-176.2-96000111.3V167 V168 A176 G177 C182 V183 S184 W229 E233V167-F180 HydrophobicContact CG1-CB 4.37Å; V168-F180 HydrophobicContact CB-CE1 4.33Å; V168-F180 HydrophobicContact CG1-CE1 4.05Å; V168-F180 HydrophobicContact CG1-CZ 4.28Å; V168-F180 HydrophobicContact CG2-CE1 4.3Å; V168-F180 HydrophobicContact CG2-CZ 4.19Å; A176-F180 WeakPolarHBondContact O-CB 3.37Å; A176-F180 PolarHBondContact O-N 3.41Å; G177-F180 PolarHBondContact O-N 3.12Å; F180-C182 VanDerWaalsContact C-N 3.34Å; F180-C182 PolarHBondContact O-N 3.2Å; F180-V183 PolarHBondContact O-N 3.44Å; F180-S184 PolarHBondContact O-N 3.48Å; F180-S184 PolarHBondContact O-OG 2.98Å; F180-W229 HydrophobicContact CD2-CH2 4.39Å; F180-W229 HydrophobicContact CD2-CZ2 4.27Å; F180-W229 HydrophobicContact CE2-CH2 4.19Å; F180-W229 AromaticContact CE2-CZ2 3.97Å; F180-W229 HydrophobicContact CE2-CZ2 3.97Å; F180-E233 HydrophobicContact CZ-CG 3.92Å
181A87.6Confident86.5Confident17 Ų1754.8 Ų54.814%0.1433%0.327CS..Hα-helixtrans-62.7-38.8177.300000112.9P171 G177 K178 L179 S184 V185P171-A181 HydrophobicContact CB-CB 3.8Å; G177-A181 WeakPolarHBondContact O-CB 3.41Å; G177-A181 PolarHBondContact O-N 3.4Å; K178-A181 PolarHBondContact O-N 2.92Å; L179-A181 PolarHBondContact O-N 3.45Å; A181-S184 PolarHBondContact O-N 3.27Å; A181-V185 WeakPolarHBondContact O-CG2 3.33Å; A181-V185 PolarHBondContact O-N 3.01Å
182C89.8Confident87.4Confident75 Ų7553.5 Ų53.551%0.50732%0.321SS..Hα-helixtrans-61.2-49.6175.3-172.70000110.8K178 L179 F180 S184 V185 S186K178-C182 VanDerWaalsContact O-CB 3.26Å; K178-C182 WeakPolarHBondContact O-CB 3.39Å; K178-C182 PolarHBondContact O-N 3.48Å; L179-C182 WeakPolarHBondContact O-CB 3.31Å; L179-C182 PolarHBondContact O-N 2.76Å; F180-C182 VanDerWaalsContact C-N 3.34Å; F180-C182 PolarHBondContact O-N 3.2Å; C182-S184 PolarHBondContact O-N 3.31Å; C182-V185 PolarHBondContact O-N 3.32Å; C182-S186 PolarHBondContact O-N 3.48Å; C182-S186 PolarHBondContact O-OG 3.42Å; C182-S186 VanDerWaalsContact O-OG 3.08Å
183V92Very high88.5Confident44 Ų4452.9 Ų52.927%0.26732%0.324SS..Hα-helixtrans-58.9-47.6176.91730000110.8L179 F180 V185 S186 F187 W229L179-V183 HydrophobicContact CD1-CG2 4.38Å; L179-V183 VanDerWaalsContact O-CG2 3.3Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.3Å; F180-V183 PolarHBondContact O-N 3.44Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V183-V185 PolarHBondContact O-N 3.44Å; V183-S186 WeakPolarHBondContact O-CB 3.44Å; V183-S186 PolarHBondContact O-N 3.19Å; V183-F187 HydrophobicContact CG1-CD2 3.63Å; V183-F187 HydrophobicContact CG1-CE2 3.6Å; V183-F187 VanDerWaalsContact O-CD2 3.31Å; V183-F187 WeakPolarHBondContact O-CD2 3.28Å; V183-F187 PolarHBondContact O-N 2.96Å; V183-W229 HydrophobicContact CB-CZ2 4.26Å; V183-W229 HydrophobicContact CG1-CH2 3.85Å; V183-W229 HydrophobicContact CG1-CZ2 3.46Å; V183-W229 VanDerWaalsContact CG1-CZ2 3.46Å
184S90.6Very high89.4Confident1 Ų150.9 Ų50.91%0.00731%0.312CS..Hα-helixtrans-53.8-47.1175.7-60.30000112.6F180 A181 C182 F187 V188 E233F180-S184 PolarHBondContact O-N 3.48Å; F180-S184 PolarHBondContact O-OG 2.98Å; A181-S184 PolarHBondContact O-N 3.27Å; C182-S184 PolarHBondContact O-N 3.31Å; S184-F187 PolarHBondContact O-N 3.03Å; S184-V188 WeakPolarHBondContact O-CG2 3.47Å; S184-V188 PolarHBondContact O-N 3.37Å; S184-V188 VanDerWaalsContact O-N 3.1Å; S184-E233 WeakPolarHBondContact CB-OE1 3.43Å; S184-E233 PolarHBondContact OG-OE1 3.22Å
185V90.9Very high89.7Confident55 Ų5551.1 Ų51.133%0.33331%0.305SS..Hα-helixtrans-67.2-40.3179.1171.90000111.5A181 C182 V183 F187 V188 A189 L302 H305A181-V185 WeakPolarHBondContact O-CG2 3.33Å; A181-V185 PolarHBondContact O-N 3.01Å; C182-V185 PolarHBondContact O-N 3.32Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V183-V185 PolarHBondContact O-N 3.44Å; V185-F187 PolarHBondContact O-N 3.38Å; V185-V188 PolarHBondContact O-N 3.42Å; V185-A189 PolarHBondContact O-N 3.15Å; V185-L302 HydrophobicContact CG1-CD1 4.44Å; V185-H305 HydrophobicContact CG2-CB 3.62Å
186S92.3Very high89.8Confident61 Ų6147.5 Ų47.543%0.42729%0.292SS..Hα-helixtrans-60-44.5174.9-61.30000111.7C182 V183 V188 A189 V190C182-S186 PolarHBondContact O-N 3.48Å; C182-S186 PolarHBondContact O-OG 3.42Å; C182-S186 VanDerWaalsContact O-OG 3.08Å; V183-S186 WeakPolarHBondContact O-CB 3.44Å; V183-S186 PolarHBondContact O-N 3.19Å; S186-V188 VanDerWaalsContact C-N 3.34Å; S186-V188 PolarHBondContact O-N 3.48Å; S186-A189 PolarHBondContact O-N 3.4Å; S186-V190 VanDerWaalsContact O-CG2 3.31Å; S186-V190 WeakPolarHBondContact O-CG2 3.38Å; S186-V190 PolarHBondContact O-N 3.36Å
187F93.1Very high89.9Confident48 Ų4847.9 Ų47.921%0.21129%0.286CS..Hα-helixtrans-62.1-40.2175.6-87.8-79.2000112.2V183 S184 V185 V190 T191 V225 C226 W229 F230V183-F187 HydrophobicContact CG1-CD2 3.63Å; V183-F187 HydrophobicContact CG1-CE2 3.6Å; V183-F187 VanDerWaalsContact O-CD2 3.31Å; V183-F187 WeakPolarHBondContact O-CD2 3.28Å; V183-F187 PolarHBondContact O-N 2.96Å; S184-F187 PolarHBondContact O-N 3.03Å; V185-F187 PolarHBondContact O-N 3.38Å; F187-V190 PolarHBondContact O-N 3.38Å; F187-T191 WeakPolarHBondContact O-CG2 3.47Å; F187-T191 PolarHBondContact O-N 3.12Å; F187-T191 PolarHBondContact O-OG1 3.04Å; F187-V225 HydrophobicContact CE1-CG1 4.12Å; F187-C226 HydrophobicContact CD1-CB 4.21Å; F187-W229 HydrophobicContact CD1-CB 4.19Å; F187-W229 HydrophobicContact CD1-CG 4.27Å; F187-W229 HydrophobicContact CD2-CB 4.47Å; F187-W229 AromaticContact CD2-CD1 3.5Å; F187-W229 VanDerWaalsContact CD2-CD1 3.5Å; F187-W229 HydrophobicContact CD2-CD2 4.02Å; F187-W229 AromaticContact CD2-CG 3.75Å; F187-W229 HydrophobicContact CD2-CG 3.75Å; F187-W229 AromaticContact CD2-NE1 3.72Å; F187-W229 HydrophobicContact CE1-CB 4.15Å; F187-W229 HydrophobicContact CE1-CG 4.4Å; F187-W229 HydrophobicContact CE2-CB 4.42Å; F187-W229 AromaticContact CE2-CD2 3.88Å; F187-W229 HydrophobicContact CE2-CD2 3.88Å; F187-W229 HydrophobicContact CE2-CE3 4.33Å; F187-W229 AromaticContact CE2-CG 3.87Å; F187-W229 HydrophobicContact CE2-CG 3.87Å; F187-W229 HydrophobicContact CG-CB 4.37Å; F187-W229 AromaticContact CG-CD1 3.6Å; F187-W229 AromaticContact CG-CG 3.97Å; F187-W229 HydrophobicContact CG-CG 3.97Å; F187-W229 HydrophobicContact CZ-CB 4.27Å; F187-W229 HydrophobicContact CZ-CD2 4.45Å; F187-W229 HydrophobicContact CZ-CG 4.21Å; F187-F230 HydrophobicContact CB-CE1 3.63Å; F187-F230 HydrophobicContact CB-CZ 4.12Å
188V92Very high89.7Confident7 Ų749.5 Ų49.54%0.04230%0.297CS..Hα-helixtrans-60.7-45.2173.3173.70000111S184 V185 S186 T191 A192 F230 R301 L302S184-V188 WeakPolarHBondContact O-CG2 3.47Å; S184-V188 PolarHBondContact O-N 3.37Å; S184-V188 VanDerWaalsContact O-N 3.1Å; V185-V188 PolarHBondContact O-N 3.42Å; S186-V188 VanDerWaalsContact C-N 3.34Å; S186-V188 PolarHBondContact O-N 3.48Å; V188-T191 WeakPolarHBondContact CA-OG1 3.47Å; V188-T191 PolarHBondContact O-N 3Å; V188-T191 PolarHBondContact O-OG1 3.26Å; V188-A192 PolarHBondContact O-N 3Å; V188-F230 HydrophobicContact CG2-CE1 4.19Å; V188-F230 HydrophobicContact CG2-CZ 3.99Å; V188-R301 HydrophobicContact CG2-CB 4.31Å; V188-L302 HydrophobicContact CG1-CB 4.32Å
189A91.8Very high89.6Confident53 Ų5347.6 Ų47.644%0.43830%0.296SS..Hα-helixtrans-61.8-45.2176.900000112.2V185 S186 T191 A192 V193V185-A189 PolarHBondContact O-N 3.15Å; S186-A189 PolarHBondContact O-N 3.4Å; A189-T191 VanDerWaalsContact C-N 3.32Å; A189-T191 PolarHBondContact O-N 3.42Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 2.93Å; A189-A192 VanDerWaalsContact O-N 3.15Å; A189-V193 WeakPolarHBondContact O-CG2 3.42Å; A189-V193 PolarHBondContact O-N 3.23Å
190V92.8Very high89.3Confident57 Ų5746.6 Ų46.635%0.34529%0.29SS..Hα-helixtrans-59.5-42.2175.4170.80000111.1S186 F187 A192 V193 G194 L222S186-V190 VanDerWaalsContact O-CG2 3.31Å; S186-V190 WeakPolarHBondContact O-CG2 3.38Å; S186-V190 PolarHBondContact O-N 3.36Å; F187-V190 PolarHBondContact O-N 3.38Å; V190-A192 PolarHBondContact O-N 3.29Å; V190-V193 PolarHBondContact O-N 2.99Å; V190-G194 PolarHBondContact O-N 2.85Å; V190-L222 HydrophobicContact CG1-CD1 3.67Å; V190-L222 HydrophobicContact CG1-CD2 4.02Å; V190-L222 HydrophobicContact CG1-CG 4.04Å
191T90.6Very high88.9Confident16 Ų1649.8 Ų49.810%0.09831%0.313CS..Hα-helixtrans-66.3-34.9175.457.20000113.6F187 V188 A189 G194 L195 C226 F230 Y298F187-T191 WeakPolarHBondContact O-CG2 3.47Å; F187-T191 PolarHBondContact O-N 3.12Å; F187-T191 PolarHBondContact O-OG1 3.04Å; V188-T191 WeakPolarHBondContact CA-OG1 3.47Å; V188-T191 PolarHBondContact O-N 3Å; V188-T191 PolarHBondContact O-OG1 3.26Å; A189-T191 VanDerWaalsContact C-N 3.32Å; A189-T191 PolarHBondContact O-N 3.42Å; T191-G194 PolarHBondContact O-N 3.32Å; T191-L195 WeakPolarHBondContact O-CB 3.27Å; T191-L195 PolarHBondContact O-N 2.95Å; T191-C226 HydrophobicContact CG2-CB 3.29Å; T191-F230 HydrophobicContact CG2-CE2 3.59Å; T191-F230 HydrophobicContact CG2-CZ 3.79Å; T191-Y298 HydrophobicContact CG2-CD2 4.3Å
192A90.4Very high88.5Confident27 Ų2754.7 Ų54.722%0.22334%0.337CS..Hα-helixtrans-65.7-45.1176.300000111V188 A189 V190 L195 C196 V299V188-A192 PolarHBondContact O-N 3Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 2.93Å; A189-A192 VanDerWaalsContact O-N 3.15Å; V190-A192 PolarHBondContact O-N 3.29Å; A192-L195 WeakPolarHBondContact O-CB 3.13Å; A192-L195 PolarHBondContact O-N 2.84Å; A192-C196 PolarHBondContact O-N 2.73Å; A192-C196 PolarHBondContact O-SG 3.3Å; A192-C196 VanDerWaalsContact O-SG 3.34Å; A192-V299 HydrophobicContact CB-CG2 3.98Å
193V90.8Very high87.7Confident88 Ų8852.4 Ų52.453%0.53332%0.32SS..Hα-helixtrans-63.5-44.4174.4176.10000110.8A189 V190 L195 C196 L197A189-V193 WeakPolarHBondContact O-CG2 3.42Å; A189-V193 PolarHBondContact O-N 3.23Å; V190-V193 PolarHBondContact O-N 2.99Å; V193-L195 VanDerWaalsContact C-N 3.29Å; V193-L195 PolarHBondContact O-N 2.82Å; V193-C196 WeakPolarHBondContact O-CB 3.33Å; V193-C196 PolarHBondContact O-N 3.49Å; V193-C196 VanDerWaalsContact O-N 3.14Å; V193-L197 HydrophobicContact CG1-CD1 4.14Å; V193-L197 HydrophobicContact CG1-CG 4.36Å; V193-L197 WeakPolarHBondContact O-CG 3.41Å; V193-L197 PolarHBondContact O-N 2.95Å
194G88.6Confident86.9Confident12 Ų1255.8 Ų55.812%0.12433%0.328CS..Hα-helixtrans-58.2-39.7175.600000112.8V190 T191 L197 S198V190-G194 PolarHBondContact O-N 2.85Å; T191-G194 PolarHBondContact O-N 3.32Å; G194-L197 PolarHBondContact O-N 3.27Å; G194-S198 WeakPolarHBondContact O-CB 3.48Å; G194-S198 PolarHBondContact O-N 2.97Å
195L86.6Confident86.1Confident37 Ų3757.9 Ų57.919%0.19435%0.345CS..Hα-helixtrans-62.3-47.5173.6-178.363.6000111.1T191 A192 V193 L197 S198 T199 R295 V296T191-L195 WeakPolarHBondContact O-CB 3.27Å; T191-L195 PolarHBondContact O-N 2.95Å; A192-L195 WeakPolarHBondContact O-CB 3.13Å; A192-L195 PolarHBondContact O-N 2.84Å; V193-L195 VanDerWaalsContact C-N 3.29Å; V193-L195 PolarHBondContact O-N 2.82Å; L195-L197 PolarHBondContact O-N 2.91Å; L195-S198 PolarHBondContact O-N 2.96Å; L195-S198 PolarHBondContact O-OG 3.48Å; L195-T199 WeakPolarHBondContact O-CG2 3.41Å; L195-T199 PolarHBondContact O-N 3.17Å; L195-R295 HydrophobicContact CD1-CB 3.79Å; L195-V296 HydrophobicContact CD2-CB 4.28Å; L195-V296 HydrophobicContact CD2-CG2 4.4Å
196C87.8Confident85.2Confident79 Ų7958 Ų5853%0.53434%0.342SS..Hα-helixtrans-57.6-47175.8-65.90000111.8A192 V193 S198 T199A192-C196 PolarHBondContact O-N 2.73Å; A192-C196 PolarHBondContact O-SG 3.3Å; A192-C196 VanDerWaalsContact O-SG 3.34Å; V193-C196 WeakPolarHBondContact O-CB 3.33Å; V193-C196 PolarHBondContact O-N 3.49Å; V193-C196 VanDerWaalsContact O-N 3.14Å; C196-S198 VanDerWaalsContact C-N 3.34Å; C196-S198 PolarHBondContact O-N 3.13Å; C196-T199 PolarHBondContact O-N 2.91Å; C196-T199 VanDerWaalsContact O-N 3.15Å; C196-T199 PolarHBondContact O-OG1 3.2Å
197L88.1Confident84Confident62 Ų6259.3 Ų59.333%0.32534%0.341SS..Hα-helixtrans-61-42.5176.9-66.1175.6000111.6V193 G194 L195 T199 M200 I203 L219V193-L197 HydrophobicContact CG1-CD1 4.14Å; V193-L197 HydrophobicContact CG1-CG 4.36Å; V193-L197 WeakPolarHBondContact O-CG 3.41Å; V193-L197 PolarHBondContact O-N 2.95Å; G194-L197 PolarHBondContact O-N 3.27Å; L195-L197 PolarHBondContact O-N 2.91Å; L197-T199 PolarHBondContact O-N 2.85Å; L197-T199 VanDerWaalsContact O-N 3.14Å; L197-M200 HydrophobicContact CD2-CE 3.87Å; L197-M200 HydrophobicContact CD2-SD 3.97Å; L197-M200 WeakPolarHBondContact O-CB 3.45Å; L197-M200 PolarHBondContact O-N 2.97Å; L197-I203 HydrophobicContact CB-CD1 4.44Å; L197-I203 WeakPolarHBondContact O-CD1 3.48Å; L197-L219 HydrophobicContact CB-CD2 4.14Å; L197-L219 HydrophobicContact CD1-CD2 4.23Å
198S81.4Confident82.7Confident33 Ų3363.9 Ų63.923%0.23136%0.364CS..Hα-helixtrans-63-20.7178.3750000113.9G194 L195 C196G194-S198 WeakPolarHBondContact O-CB 3.48Å; G194-S198 PolarHBondContact O-N 2.97Å; L195-S198 PolarHBondContact O-N 2.96Å; L195-S198 PolarHBondContact O-OG 3.48Å; C196-S198 VanDerWaalsContact C-N 3.34Å; C196-S198 PolarHBondContact O-N 3.13Å
199T83.5Confident81.4Confident87 Ų8773.1 Ų73.153%0.53440%0.398SS..THydrogen-bonded Turntrans-87.6-9.3177.159.70000114.1L195 C196 L197L195-T199 WeakPolarHBondContact O-CG2 3.41Å; L195-T199 PolarHBondContact O-N 3.17Å; C196-T199 PolarHBondContact O-N 2.91Å; C196-T199 VanDerWaalsContact O-N 3.15Å; C196-T199 PolarHBondContact O-OG1 3.2Å; L197-T199 PolarHBondContact O-N 2.85Å; L197-T199 VanDerWaalsContact O-N 3.14Å
200M85.4Confident79.9Confident91 Ų9173.7 Ų73.745%0.44841%0.409SS..SBendtrans-64.5138.7-178.7-71-173.3169.900111.7L197 D202 I203 R204L197-M200 HydrophobicContact CD2-CE 3.87Å; L197-M200 HydrophobicContact CD2-SD 3.97Å; L197-M200 WeakPolarHBondContact O-CB 3.45Å; L197-M200 PolarHBondContact O-N 2.97Å; M200-D202 VanDerWaalsContact C-N 3.3Å; M200-D202 PolarHBondContact O-N 3.35Å; M200-I203 HydrophobicContact CB-CD1 4.3Å; M200-I203 PolarHBondContact O-N 3.36Å; M200-R204 WeakPolarHBondContact O-CG 3.36Å; M200-R204 PolarHBondContact O-N 3.29Å
201P81.2Confident78.4Confident95 Ų9577.3 Ų77.362%0.61742%0.422SS*.Hα-helixtrans-61.4-37.1-173.124.4-33.7000112.6I203 R204 A205P201-I203 PolarHBondContact O-N 3.43Å; P201-R204 PolarHBondContact O-N 3.38Å; P201-A205 VanDerWaalsContact O-CB 3.29Å; P201-A205 WeakPolarHBondContact O-CB 3.48Å; P201-A205 PolarHBondContact O-N 3.02Å
202D78.4Confident77Confident120 Ų12080.5 Ų80.564%0.64244%0.444SS*.Hα-helixtrans-62.2-44.5179.1-57.7-22.8000111.5M200 A205 E206M200-D202 VanDerWaalsContact C-N 3.3Å; M200-D202 PolarHBondContact O-N 3.35Å; D202-A205 PolarHBondContact O-N 3.17Å; D202-E206 WeakPolarHBondContact O-CG 3.36Å; D202-E206 PolarHBondContact O-N 3.41Å; D202-E206 VanDerWaalsContact O-N 3.13Å
203I74.6Confident76.1Confident27 Ų2780.5 Ų80.514%0.13844%0.442CS..Hα-helixtrans-70.7-37.4179.6-65.5166000110.5L197 M200 P201 E207 L219L197-I203 HydrophobicContact CB-CD1 4.44Å; L197-I203 WeakPolarHBondContact O-CD1 3.48Å; M200-I203 HydrophobicContact CB-CD1 4.3Å; M200-I203 PolarHBondContact O-N 3.36Å; P201-I203 PolarHBondContact O-N 3.43Å; I203-E207 WeakPolarHBondContact O-CB 3.4Å; I203-E207 PolarHBondContact O-N 2.94Å; I203-L219 HydrophobicContact CD1-CD1 3.9Å; I203-L219 HydrophobicContact CG2-CD1 4.02Å
204R74.9Confident75.6Confident115 Ų11581.1 Ų81.143%0.43445%0.448SS..Hα-helixtrans-68.5-39176.7-71.8-172.563.1-175.3-5.5112.7M200 P201 E207 E208M200-R204 WeakPolarHBondContact O-CG 3.36Å; M200-R204 PolarHBondContact O-N 3.29Å; P201-R204 PolarHBondContact O-N 3.38Å; R204-E207 PolarHBondContact O-N 3.06Å; R204-E208 IonicContact NH2-OE1 3.71Å; R204-E208 WeakPolarHBondContact O-CB 3.1Å; R204-E208 WeakPolarHBondContact O-CG 3.22Å; R204-E208 PolarHBondContact O-N 3.32Å
205A73.6Confident75.1Confident46 Ų4686.8 Ų86.838%0.3847%0.469SS..Hα-helixtrans-67.2-37.5177.400000111.8P201 D202 R209P201-A205 VanDerWaalsContact O-CB 3.29Å; P201-A205 WeakPolarHBondContact O-CB 3.48Å; P201-A205 PolarHBondContact O-N 3.02Å; D202-A205 PolarHBondContact O-N 3.17Å; A205-R209 WeakPolarHBondContact O-CG 3.43Å; A205-R209 PolarHBondContact O-N 2.77Å
206E70.9Confident74.7Confident57 Ų5786.7 Ų86.727%0.26647%0.471SS..Hα-helixtrans-64.6-43.6171.8-73.6-179.9-174.600111.6D202 E208 R209 G210 S213D202-E206 WeakPolarHBondContact O-CG 3.36Å; D202-E206 PolarHBondContact O-N 3.41Å; D202-E206 VanDerWaalsContact O-N 3.13Å; E206-E208 PolarHBondContact O-N 2.95Å; E206-R209 PolarHBondContact O-N 3.34Å; E206-G210 PolarHBondContact O-N 3.26Å; E206-S213 WeakPolarHBondContact OE2-CB 3.47Å; E206-S213 PolarHBondContact OE2-OG 3.13Å
207E67.1Low74.5Confident88 Ų8890.7 Ų90.741%0.41148%0.475SS..Hα-helixtrans-62.9-41.7177.8-165.9-170.9161.500112.3I203 R204 R209 G210 R292I203-E207 WeakPolarHBondContact O-CB 3.4Å; I203-E207 PolarHBondContact O-N 2.94Å; R204-E207 PolarHBondContact O-N 3.06Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.28Å; E207-G210 PolarHBondContact O-N 3.43Å; E207-R292 IonicContact OE1-CZ 3.78Å; E207-R292 IonicContact OE1-NH1 3.07Å; E207-R292 IonicContact OE1-NH2 3.63Å; E207-R292 PolarHBondContact OE1-NH2 2.92Å
208E66.8Low74.4Confident145 Ų14591.4 Ų91.468%0.67849%0.485SS*.Hα-helixtrans-70.2-25.8179.3-74177.2-173.800113.2R204 E206 G210R204-E208 IonicContact NH2-OE1 3.71Å; R204-E208 WeakPolarHBondContact O-CB 3.1Å; R204-E208 WeakPolarHBondContact O-CG 3.22Å; R204-E208 PolarHBondContact O-N 3.32Å; E206-E208 PolarHBondContact O-N 2.95Å; E208-G210 VanDerWaalsContact C-N 3.31Å
209R64.4Low74.6Confident200 Ų20091.4 Ų91.476%0.75548%0.483SS*.THydrogen-bonded Turntrans-80.3-9.5173.4-76.6179.7-175.1-93.8-1.5113.7A205 E206 E207 E211A205-R209 WeakPolarHBondContact O-CG 3.43Å; A205-R209 PolarHBondContact O-N 2.77Å; E206-R209 PolarHBondContact O-N 3.34Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.28Å; R209-E211 PolarHBondContact O-N 3.24Å
210G60.8Low74.7Confident65 Ų6592.6 Ų92.667%0.6748%0.48SS*.THydrogen-bonded Turntrans72.97.5-17800000114.3E206 E207 E208 C212E206-G210 PolarHBondContact O-N 3.26Å; E207-G210 PolarHBondContact O-N 3.43Å; E208-G210 VanDerWaalsContact C-N 3.31Å; G210-C212 PolarHBondContact O-N 2.93Å
211E61.1Low74.9Confident134 Ų13492.1 Ų92.163%0.62648%0.483SS*.  trans-84.1101.9175.7-69.7179.4176.800108.5R209 S213R209-E211 PolarHBondContact O-N 3.24Å; E211-S213 PolarHBondContact O-N 3.38Å
212C60.4Low75.3Confident83 Ų8390.7 Ų90.756%0.56147%0.469SS*.  trans-78.575-178-148.80000110.6G210G210-C212 PolarHBondContact O-N 2.93Å
213S71.8Confident75.8Confident26 Ų2686.5 Ų86.518%0.18245%0.446CS..  trans-49.5148.5171.6169.50000111.3E206 E211 K215 C216 R217E206-S213 WeakPolarHBondContact OE2-CB 3.47Å; E206-S213 PolarHBondContact OE2-OG 3.13Å; E211-S213 PolarHBondContact O-N 3.38Å; S213-K215 PolarHBondContact O-N 3.17Å; S213-C216 WeakPolarHBondContact O-CB 3.27Å; S213-C216 PolarHBondContact O-N 3.13Å; S213-R217 PolarHBondContact O-N 2.95Å
214P79.4Confident76.6Confident102 Ų10287.4 Ų87.466%0.66245%0.453SS*.Hα-helixtrans-55.4-26.2178.122.2-34.2000113.1S218P214-S218 WeakPolarHBondContact O-CB 3.07Å; P214-S218 PolarHBondContact O-N 2.91Å; P214-S218 PolarHBondContact O-OG 3.31Å
215K79Confident77.5Confident131 Ų13185.5 Ų85.557%0.5745%0.454SS*.Hα-helixtrans-66.7-45174.6-65.6178.1-177.7170.70112.3S213 R217 S218 L219S213-K215 PolarHBondContact O-N 3.17Å; K215-R217 VanDerWaalsContact C-N 3.35Å; K215-R217 PolarHBondContact O-N 3.1Å; K215-S218 PolarHBondContact O-N 3.13Å; K215-L219 WeakPolarHBondContact O-CG 3.36Å; K215-L219 PolarHBondContact O-N 3.34Å
216C77.7Confident78.3Confident34 Ų3483.4 Ų83.423%0.2344%0.436CS..Hα-helixtrans-60.3-45.5176.4-178.30000111S213 S218 L219 F220S213-C216 WeakPolarHBondContact O-CB 3.27Å; S213-C216 PolarHBondContact O-N 3.13Å; C216-S218 VanDerWaalsContact C-N 3.35Å; C216-S218 PolarHBondContact O-N 3.1Å; C216-L219 PolarHBondContact O-N 3.14Å; C216-F220 PolarHBondContact O-N 3.12Å
217R83.2Confident79.4Confident163 Ų16380.7 Ų80.762%0.61542%0.424SS*.Hα-helixtrans-60.6-43.4175.3-171.4178.4-61.6-179.72.4112.1S213 K215 F220 V221S213-R217 PolarHBondContact O-N 2.95Å; K215-R217 VanDerWaalsContact C-N 3.35Å; K215-R217 PolarHBondContact O-N 3.1Å; R217-F220 PolarHBondContact O-N 3.36Å; R217-V221 VanDerWaalsContact O-CG2 3.29Å; R217-V221 WeakPolarHBondContact O-CG2 3.2Å; R217-V221 PolarHBondContact O-N 3.48Å
218S87.1Confident80.6Confident78 Ų7879.2 Ų79.255%0.54543%0.426SS..Hα-helixtrans-64.5-40.7179.1-58.50000112.1P214 K215 C216 V221 L222P214-S218 WeakPolarHBondContact O-CB 3.07Å; P214-S218 PolarHBondContact O-N 2.91Å; P214-S218 PolarHBondContact O-OG 3.31Å; K215-S218 PolarHBondContact O-N 3.13Å; C216-S218 VanDerWaalsContact C-N 3.35Å; C216-S218 PolarHBondContact O-N 3.1Å; S218-V221 PolarHBondContact O-N 3.09Å; S218-L222 WeakPolarHBondContact O-CB 3.39Å; S218-L222 PolarHBondContact O-N 2.91Å
219L85.4Confident82Confident33 Ų3375.1 Ų75.117%0.17341%0.405CS..Hα-helixtrans-66.5-40.4175.5-74.5170.8000112.2L197 I203 K215 C216 L222 E223L197-L219 HydrophobicContact CB-CD2 4.14Å; L197-L219 HydrophobicContact CD1-CD2 4.23Å; I203-L219 HydrophobicContact CD1-CD1 3.9Å; I203-L219 HydrophobicContact CG2-CD1 4.02Å; K215-L219 WeakPolarHBondContact O-CG 3.36Å; K215-L219 PolarHBondContact O-N 3.34Å; C216-L219 PolarHBondContact O-N 3.14Å; L219-L222 WeakPolarHBondContact O-CB 3.38Å; L219-L222 PolarHBondContact O-N 3.33Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 PolarHBondContact O-N 3.02Å
220F84.5Confident83.3Confident111 Ų11165.7 Ų65.749%0.48737%0.369SS..Hα-helixtrans-64.4-42.2174.9179.6-99.3000112.3C216 R217 E223 T224 F263C216-F220 PolarHBondContact O-N 3.12Å; R217-F220 PolarHBondContact O-N 3.36Å; F220-E223 PolarHBondContact O-N 3.09Å; F220-T224 WeakPolarHBondContact O-CB 2.68Å; F220-T224 PolarHBondContact O-N 3.08Å; F220-T224 PolarHBondContact O-OG1 3.45Å; F220-F263 HydrophobicContact CE2-CE2 4.2Å; F220-F263 HydrophobicContact CZ-CE2 4.44Å
221V89.6Confident84.9Confident81 Ų8163.7 Ų63.749%0.49135%0.345SS..Hα-helixtrans-62.4-45.8174.4170.50000110.4R217 S218 E223 T224 V225R217-V221 VanDerWaalsContact O-CG2 3.29Å; R217-V221 WeakPolarHBondContact O-CG2 3.2Å; R217-V221 PolarHBondContact O-N 3.48Å; S218-V221 PolarHBondContact O-N 3.09Å; V221-E223 PolarHBondContact O-N 2.92Å; V221-T224 WeakPolarHBondContact O-CB 3.34Å; V221-T224 PolarHBondContact O-N 3.26Å; V221-V225 HydrophobicContact CG1-CG2 4.38Å; V221-V225 WeakPolarHBondContact O-CG2 3.45Å; V221-V225 PolarHBondContact O-N 3.29Å
222L90.1Very high86.5Confident65 Ų6562 Ų6234%0.3434%0.335SS..Hα-helixtrans-57.1-50.7176.3-174.770.9000111.2V190 S218 L219 T224 V225 C226V190-L222 HydrophobicContact CG1-CD1 3.67Å; V190-L222 HydrophobicContact CG1-CD2 4.02Å; V190-L222 HydrophobicContact CG1-CG 4.04Å; S218-L222 WeakPolarHBondContact O-CB 3.39Å; S218-L222 PolarHBondContact O-N 2.91Å; L219-L222 WeakPolarHBondContact O-CB 3.38Å; L219-L222 PolarHBondContact O-N 3.33Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.41Å; L222-V225 PolarHBondContact O-N 2.83Å; L222-C226 PolarHBondContact O-N 3.48Å; L222-C226 PolarHBondContact O-SG 3.15Å
223E89.3Confident88Confident33 Ų3358 Ų5815%0.15431%0.309CS..Hα-helixtrans-57.3-45.2177.2-173.8177.5172.800111L219 F220 V221 V225 C226 V227 F263 R295L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 PolarHBondContact O-N 3.02Å; F220-E223 PolarHBondContact O-N 3.09Å; V221-E223 PolarHBondContact O-N 2.92Å; E223-V225 PolarHBondContact O-N 3.18Å; E223-C226 PolarHBondContact O-N 3.32Å; E223-V227 HydrophobicContact CG-CG2 4.37Å; E223-V227 WeakPolarHBondContact O-CB 3.3Å; E223-V227 VanDerWaalsContact O-CG2 3.3Å; E223-V227 WeakPolarHBondContact O-CG2 3.46Å; E223-V227 PolarHBondContact O-N 3.41Å; E223-F263 HydrophobicContact CG-CD2 4.25Å; E223-R295 VanDerWaalsContact CD-NH1 3.34Å; E223-R295 IonicContact OE1-CZ 2.72Å; E223-R295 IonicContact OE1-NE 3.67Å; E223-R295 PolarHBondContact OE1-NE 3.46Å; E223-R295 IonicContact OE1-NH1 3.6Å; E223-R295 PolarHBondContact OE1-NH1 3.4Å; E223-R295 IonicContact OE1-NH2 2.84Å; E223-R295 PolarHBondContact OE1-NH2 2.94Å; E223-R295 IonicContact OE2-CZ 3.26Å; E223-R295 VanDerWaalsContact OE2-CZ 3.27Å; E223-R295 IonicContact OE2-NH1 2.93Å; E223-R295 PolarHBondContact OE2-NH1 3.31Å; E223-R295 IonicContact OE2-NH2 3.46Å; E223-R295 PolarHBondContact OE2-NH2 3.38Å
224T90.5Very high88.9Confident46 Ų4658.4 Ų58.428%0.28231%0.307SS..Hα-helixtrans-61-45.3178.6-58.50000111.9F220 V221 L222 V227 A228 F263F220-T224 WeakPolarHBondContact O-CB 2.68Å; F220-T224 PolarHBondContact O-N 3.08Å; F220-T224 PolarHBondContact O-OG1 3.45Å; V221-T224 WeakPolarHBondContact O-CB 3.34Å; V221-T224 PolarHBondContact O-N 3.26Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.41Å; T224-V227 PolarHBondContact O-N 2.94Å; T224-A228 VanDerWaalsContact O-CB 3.23Å; T224-A228 WeakPolarHBondContact O-CB 3.38Å; T224-A228 PolarHBondContact O-N 3.25Å; T224-F263 HydrophobicContact CG2-CZ 4Å
225V93.8Very high89.5Confident74 Ų7458.1 Ų58.145%0.44830%0.3SS..Hα-helixtrans-64.5-43.8178.3173.40000110.8F187 V221 L222 E223 A228 W229F187-V225 HydrophobicContact CE1-CG1 4.12Å; V221-V225 HydrophobicContact CG1-CG2 4.38Å; V221-V225 WeakPolarHBondContact O-CG2 3.45Å; V221-V225 PolarHBondContact O-N 3.29Å; L222-V225 PolarHBondContact O-N 2.83Å; E223-V225 PolarHBondContact O-N 3.18Å; V225-A228 PolarHBondContact O-N 3.16Å; V225-W229 PolarHBondContact O-N 3.45Å
226C92.4Very high90Very high2 Ų253.1 Ų53.11%0.01428%0.279CS..Hα-helixtrans-64.5-45.6177.8-63.50000112.3F187 T191 L222 E223 A228 W229 F230F187-C226 HydrophobicContact CD1-CB 4.21Å; T191-C226 HydrophobicContact CG2-CB 3.29Å; L222-C226 PolarHBondContact O-N 3.48Å; L222-C226 PolarHBondContact O-SG 3.15Å; E223-C226 PolarHBondContact O-N 3.32Å; C226-A228 VanDerWaalsContact C-N 3.34Å; C226-A228 PolarHBondContact O-N 3.02Å; C226-W229 WeakPolarHBondContact O-CB 3.39Å; C226-W229 PolarHBondContact O-N 3.08Å; C226-F230 WeakPolarHBondContact O-CD1 3.18Å; C226-F230 WeakPolarHBondContact O-CD2 3.27Å; C226-F230 WeakPolarHBondContact O-CG 3.31Å; C226-F230 PolarHBondContact O-N 2.87Å
227V92.3Very high90.5Very high1 Ų151.9 Ų51.91%0.00627%0.269CS..Hα-helixtrans-64.1-40.3176.9171.90000110.6E223 T224 W229 F230 S231 L260 F263 Y264 Y298E223-V227 HydrophobicContact CG-CG2 4.37Å; E223-V227 WeakPolarHBondContact O-CB 3.3Å; E223-V227 VanDerWaalsContact O-CG2 3.3Å; E223-V227 WeakPolarHBondContact O-CG2 3.46Å; E223-V227 PolarHBondContact O-N 3.41Å; T224-V227 PolarHBondContact O-N 2.94Å; V227-W229 VanDerWaalsContact C-N 3.34Å; V227-W229 PolarHBondContact O-N 2.99Å; V227-F230 PolarHBondContact O-N 2.98Å; V227-S231 WeakPolarHBondContact O-CB 3.4Å; V227-S231 PolarHBondContact O-N 3.34Å; V227-S231 PolarHBondContact O-OG 3.24Å; V227-S231 VanDerWaalsContact O-OG 3.14Å; V227-L260 HydrophobicContact CG1-CD2 3.95Å; V227-F263 HydrophobicContact CB-CD1 4.35Å; V227-F263 HydrophobicContact CB-CG 4.26Å; V227-F263 HydrophobicContact CG1-CB 4.08Å; V227-F263 HydrophobicContact CG1-CD1 3.7Å; V227-F263 HydrophobicContact CG1-CE1 4.33Å; V227-F263 HydrophobicContact CG1-CG 3.91Å; V227-F263 HydrophobicContact CG2-CB 4Å; V227-F263 HydrophobicContact CG2-CD2 4.26Å; V227-F263 HydrophobicContact CG2-CG 4.05Å; V227-Y264 HydrophobicContact CG1-CE2 4.02Å; V227-Y298 HydrophobicContact CG2-CE2 4.13Å
228A94Very high90.8Very high56 Ų5645.2 Ų45.246%0.46325%0.248SC..Hα-helixtrans-59.7-44.1175.300000111.8T224 V225 C226 S231 F232T224-A228 VanDerWaalsContact O-CB 3.23Å; T224-A228 WeakPolarHBondContact O-CB 3.38Å; T224-A228 PolarHBondContact O-N 3.25Å; V225-A228 PolarHBondContact O-N 3.16Å; C226-A228 VanDerWaalsContact C-N 3.34Å; C226-A228 PolarHBondContact O-N 3.02Å; A228-S231 PolarHBondContact O-N 2.95Å; A228-F232 WeakPolarHBondContact O-CB 3.39Å; A228-F232 PolarHBondContact O-N 2.88Å
229W94.4Very high90.8Very high60 Ų6045.9 Ų45.923%0.22725%0.245CC..Hα-helixtrans-60.2-44.8173.6179.1-101.1000111.7F180 V183 F187 V225 C226 V227 F232 E233F180-W229 HydrophobicContact CD2-CH2 4.39Å; F180-W229 HydrophobicContact CD2-CZ2 4.27Å; F180-W229 HydrophobicContact CE2-CH2 4.19Å; F180-W229 AromaticContact CE2-CZ2 3.97Å; F180-W229 HydrophobicContact CE2-CZ2 3.97Å; V183-W229 HydrophobicContact CB-CZ2 4.26Å; V183-W229 HydrophobicContact CG1-CH2 3.85Å; V183-W229 HydrophobicContact CG1-CZ2 3.46Å; V183-W229 VanDerWaalsContact CG1-CZ2 3.46Å; F187-W229 HydrophobicContact CD1-CB 4.19Å; F187-W229 HydrophobicContact CD1-CG 4.27Å; F187-W229 HydrophobicContact CD2-CB 4.47Å; F187-W229 AromaticContact CD2-CD1 3.5Å; F187-W229 VanDerWaalsContact CD2-CD1 3.5Å; F187-W229 HydrophobicContact CD2-CD2 4.02Å; F187-W229 AromaticContact CD2-CG 3.75Å; F187-W229 HydrophobicContact CD2-CG 3.75Å; F187-W229 AromaticContact CD2-NE1 3.72Å; F187-W229 HydrophobicContact CE1-CB 4.15Å; F187-W229 HydrophobicContact CE1-CG 4.4Å; F187-W229 HydrophobicContact CE2-CB 4.42Å; F187-W229 AromaticContact CE2-CD2 3.88Å; F187-W229 HydrophobicContact CE2-CD2 3.88Å; F187-W229 HydrophobicContact CE2-CE3 4.33Å; F187-W229 AromaticContact CE2-CG 3.87Å; F187-W229 HydrophobicContact CE2-CG 3.87Å; F187-W229 HydrophobicContact CG-CB 4.37Å; F187-W229 AromaticContact CG-CD1 3.6Å; F187-W229 AromaticContact CG-CG 3.97Å; F187-W229 HydrophobicContact CG-CG 3.97Å; F187-W229 HydrophobicContact CZ-CB 4.27Å; F187-W229 HydrophobicContact CZ-CD2 4.45Å; F187-W229 HydrophobicContact CZ-CG 4.21Å; V225-W229 PolarHBondContact O-N 3.45Å; C226-W229 WeakPolarHBondContact O-CB 3.39Å; C226-W229 PolarHBondContact O-N 3.08Å; V227-W229 VanDerWaalsContact C-N 3.34Å; V227-W229 PolarHBondContact O-N 2.99Å; W229-F232 HydrophobicContact CE3-CD1 4.34Å; W229-F232 HydrophobicContact CZ3-CD1 4.27Å; W229-F232 HydrophobicContact CZ3-CE1 4.37Å; W229-F232 WeakPolarHBondContact O-CB 3.44Å; W229-F232 PolarHBondContact O-N 2.89Å; W229-E233 PolarHBondContact NE1-OE1 2.97Å; W229-E233 WeakPolarHBondContact O-CG 3.45Å; W229-E233 PolarHBondContact O-N 3.44Å
230F92.9Very high90.8Very high2 Ų244.9 Ų44.91%0.00924%0.239CC..Hα-helixtrans-65.8-41.4179.5-62.9-17.6000113.3F187 V188 T191 C226 V227 F232 E233 F234 L260 Y298F187-F230 HydrophobicContact CB-CE1 3.63Å; F187-F230 HydrophobicContact CB-CZ 4.12Å; V188-F230 HydrophobicContact CG2-CE1 4.19Å; V188-F230 HydrophobicContact CG2-CZ 3.99Å; T191-F230 HydrophobicContact CG2-CE2 3.59Å; T191-F230 HydrophobicContact CG2-CZ 3.79Å; C226-F230 WeakPolarHBondContact O-CD1 3.18Å; C226-F230 WeakPolarHBondContact O-CD2 3.27Å; C226-F230 WeakPolarHBondContact O-CG 3.31Å; C226-F230 PolarHBondContact O-N 2.87Å; V227-F230 PolarHBondContact O-N 2.98Å; F230-F232 VanDerWaalsContact C-N 3.31Å; F230-E233 PolarHBondContact O-N 3.03Å; F230-F234 WeakPolarHBondContact O-CB 3.4Å; F230-F234 PolarHBondContact O-N 3.09Å; F230-L260 HydrophobicContact CB-CD2 3.76Å; F230-Y298 HydrophobicContact CE2-CD2 4.38Å
231S94Very high90.7Very high23 Ų2340.4 Ų40.416%0.16122%0.223CC..Hα-helixtrans-62.7-39.9172.6-67.90000111.5V227 A228 F234 L235 L260 Y264V227-S231 WeakPolarHBondContact O-CB 3.4Å; V227-S231 PolarHBondContact O-N 3.34Å; V227-S231 PolarHBondContact O-OG 3.24Å; V227-S231 VanDerWaalsContact O-OG 3.14Å; A228-S231 PolarHBondContact O-N 2.95Å; S231-F234 PolarHBondContact O-N 3.11Å; S231-L235 VanDerWaalsContact O-CB 3.26Å; S231-L235 WeakPolarHBondContact O-CB 3.35Å; S231-L235 PolarHBondContact O-N 2.9Å; S231-L260 WeakPolarHBondContact OG-CD2 3.01Å; S231-Y264 WeakPolarHBondContact CB-OH 3.25Å; S231-Y264 WeakPolarHBondContact OG-CE2 3.4Å; S231-Y264 PolarHBondContact OG-OH 3.35Å
232F93.8Very high90.3Very high97 Ų9743.5 Ų43.543%0.42523%0.232SC..Hα-helixtrans-61.9-48.8174.3171.8-105.8000111.6A228 W229 F230 F234 L235 L236A228-F232 WeakPolarHBondContact O-CB 3.39Å; A228-F232 PolarHBondContact O-N 2.88Å; W229-F232 HydrophobicContact CE3-CD1 4.34Å; W229-F232 HydrophobicContact CZ3-CD1 4.27Å; W229-F232 HydrophobicContact CZ3-CE1 4.37Å; W229-F232 WeakPolarHBondContact O-CB 3.44Å; W229-F232 PolarHBondContact O-N 2.89Å; F230-F232 VanDerWaalsContact C-N 3.31Å; F232-F234 VanDerWaalsContact C-N 3.34Å; F232-F234 PolarHBondContact O-N 3.49Å; F232-L235 PolarHBondContact O-N 3.08Å; F232-L236 HydrophobicContact CD1-CD1 4.06Å; F232-L236 HydrophobicContact CD2-CG 4.38Å; F232-L236 HydrophobicContact CE1-CD1 3.42Å; F232-L236 VanDerWaalsContact CE1-CD1 3.42Å; F232-L236 HydrophobicContact CE1-CG 4.16Å; F232-L236 HydrophobicContact CE2-CD1 4.07Å; F232-L236 HydrophobicContact CE2-CD2 4.11Å; F232-L236 HydrophobicContact CE2-CG 3.99Å; F232-L236 HydrophobicContact CZ-CD1 3.44Å; F232-L236 VanDerWaalsContact CZ-CD1 3.44Å; F232-L236 HydrophobicContact CZ-CD2 4.15Å; F232-L236 HydrophobicContact CZ-CG 3.89Å; F232-L236 WeakPolarHBondContact O-CG 3.37Å; F232-L236 PolarHBondContact O-N 2.94Å
233E92.4Very high90.1Very high1 Ų143.7 Ų43.71%0.00524%0.239CC..Hα-helixtrans-59.9-43.9176-67.1-171.6176.800112.7F180 S184 W229 F230 L235 L236 R237 R301F180-E233 HydrophobicContact CZ-CG 3.92Å; S184-E233 WeakPolarHBondContact CB-OE1 3.43Å; S184-E233 PolarHBondContact OG-OE1 3.22Å; W229-E233 PolarHBondContact NE1-OE1 2.97Å; W229-E233 WeakPolarHBondContact O-CG 3.45Å; W229-E233 PolarHBondContact O-N 3.44Å; F230-E233 PolarHBondContact O-N 3.03Å; E233-L235 VanDerWaalsContact C-N 3.34Å; E233-L236 PolarHBondContact O-N 3.49Å; E233-R237 WeakPolarHBondContact O-CG 3.36Å; E233-R237 PolarHBondContact O-N 3.41Å; E233-R237 IonicContact OE2-CZ 3.69Å; E233-R237 IonicContact OE2-NH1 2.94Å; E233-R237 PolarHBondContact OE2-NH1 3Å; E233-R237 IonicContact OE2-NH2 3.49Å; E233-R237 PolarHBondContact OE2-NH2 3.45Å; E233-R301 IonicContact OE2-CZ 3.66Å; E233-R301 IonicContact OE2-NH2 3.59Å; E233-R301 PolarHBondContact OE2-NH2 3.03Å
234F91.4Very high90Very high33 Ų3346.2 Ų46.215%0.14525%0.25CC..Hα-helixtrans-62.7-42.8178.4178.4-95.8000111.1F230 S231 F232 R237 S238 F247 L248 D256 I257 L260F230-F234 WeakPolarHBondContact O-CB 3.4Å; F230-F234 PolarHBondContact O-N 3.09Å; S231-F234 PolarHBondContact O-N 3.11Å; F232-F234 VanDerWaalsContact C-N 3.34Å; F232-F234 PolarHBondContact O-N 3.49Å; F234-R237 PolarHBondContact O-N 2.99Å; F234-S238 VanDerWaalsContact O-CB 3.28Å; F234-S238 WeakPolarHBondContact O-CB 3.32Å; F234-S238 PolarHBondContact O-N 3.46Å; F234-F247 HydrophobicContact CD2-CE1 4.31Å; F234-F247 AromaticContact CE2-CE1 3.72Å; F234-F247 HydrophobicContact CE2-CE1 3.72Å; F234-F247 HydrophobicContact CE2-CZ 4.33Å; F234-F247 AromaticContact CZ-CE1 3.98Å; F234-F247 HydrophobicContact CZ-CE1 3.98Å; F234-L248 HydrophobicContact CZ-CD2 3.76Å; F234-D256 HydrophobicContact CD2-CB 4.08Å; F234-I257 HydrophobicContact CE2-CD1 4.13Å; F234-I257 HydrophobicContact CE2-CG1 3.66Å; F234-I257 HydrophobicContact CZ-CD1 3.96Å; F234-I257 HydrophobicContact CZ-CG1 3.64Å; F234-L260 HydrophobicContact CB-CD1 4.25Å; F234-L260 HydrophobicContact CG-CD1 4.36Å
235L91.4Very high89.9Confident96 Ų9648.1 Ų48.150%0.50326%0.263SS..Hα-helixtrans-63.1-46.1176.5-178.662.3000111.2S231 F232 E233 R237 S238 L239S231-L235 VanDerWaalsContact O-CB 3.26Å; S231-L235 WeakPolarHBondContact O-CB 3.35Å; S231-L235 PolarHBondContact O-N 2.9Å; F232-L235 PolarHBondContact O-N 3.08Å; E233-L235 VanDerWaalsContact C-N 3.34Å; L235-R237 VanDerWaalsContact C-N 3.31Å; L235-R237 PolarHBondContact O-N 2.98Å; L235-S238 PolarHBondContact O-N 3.36Å; L235-L239 HydrophobicContact CD1-CD1 4.27Å; L235-L239 HydrophobicContact CD1-CD2 4.48Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CG-CD1 4.02Å; L235-L239 HydrophobicContact CG-CG 4.29Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 VanDerWaalsContact O-CG 3.23Å; L235-L239 WeakPolarHBondContact O-CG 3.26Å; L235-L239 PolarHBondContact O-N 2.99Å
236L89.8Confident89.6Confident26 Ų2647.2 Ų47.214%0.13626%0.264CS..Hα-helixtrans-55.7-46.5176.1-75.4-176.8000111.6L164 V168 F232 E233 Q240L164-L236 HydrophobicContact CD2-CD2 4.42Å; V168-L236 HydrophobicContact CG2-CD1 4.25Å; F232-L236 HydrophobicContact CD1-CD1 4.06Å; F232-L236 HydrophobicContact CD2-CG 4.38Å; F232-L236 HydrophobicContact CE1-CD1 3.42Å; F232-L236 VanDerWaalsContact CE1-CD1 3.42Å; F232-L236 HydrophobicContact CE1-CG 4.16Å; F232-L236 HydrophobicContact CE2-CD1 4.07Å; F232-L236 HydrophobicContact CE2-CD2 4.11Å; F232-L236 HydrophobicContact CE2-CG 3.99Å; F232-L236 HydrophobicContact CZ-CD1 3.44Å; F232-L236 VanDerWaalsContact CZ-CD1 3.44Å; F232-L236 HydrophobicContact CZ-CD2 4.15Å; F232-L236 HydrophobicContact CZ-CG 3.89Å; F232-L236 WeakPolarHBondContact O-CG 3.37Å; F232-L236 PolarHBondContact O-N 2.94Å; E233-L236 PolarHBondContact O-N 3.49Å; L236-Q240 WeakPolarHBondContact O-CG 3.49Å; L236-Q240 PolarHBondContact O-N 2.95Å; L236-Q240 PolarHBondContact O-NE2 2.94Å
237R88.7Confident89.4Confident8 Ų848.6 Ų48.63%0.0327%0.27CS..Hα-helixtrans-67.6-43.4178.5-69.1178.9-173.6110.87.1111.9V168 E233 F234 L235 L239 Q240 A241 F247V168-R237 HydrophobicContact CG1-CG 3.59Å; E233-R237 WeakPolarHBondContact O-CG 3.36Å; E233-R237 PolarHBondContact O-N 3.41Å; E233-R237 IonicContact OE2-CZ 3.69Å; E233-R237 IonicContact OE2-NH1 2.94Å; E233-R237 PolarHBondContact OE2-NH1 3Å; E233-R237 IonicContact OE2-NH2 3.49Å; E233-R237 PolarHBondContact OE2-NH2 3.45Å; F234-R237 PolarHBondContact O-N 2.99Å; L235-R237 VanDerWaalsContact C-N 3.31Å; L235-R237 PolarHBondContact O-N 2.98Å; R237-L239 PolarHBondContact O-N 2.88Å; R237-Q240 PolarHBondContact O-N 3.22Å; R237-Q240 VanDerWaalsContact O-N 3.17Å; R237-A241 PolarHBondContact O-N 2.98Å; R237-F247 HydrophobicContact CB-CE2 3.85Å; R237-F247 HydrophobicContact CB-CZ 3.68Å
238S88.4Confident89.2Confident23 Ų2352.1 Ų52.116%0.16129%0.288CS..Hα-helixtrans-58.4-47.9176.5179.20000110.8F234 L235 Q240 A241 K244F234-S238 VanDerWaalsContact O-CB 3.28Å; F234-S238 WeakPolarHBondContact O-CB 3.32Å; F234-S238 PolarHBondContact O-N 3.46Å; L235-S238 PolarHBondContact O-N 3.36Å; S238-Q240 PolarHBondContact O-N 3.34Å; S238-A241 WeakPolarHBondContact O-CB 3.46Å; S238-A241 PolarHBondContact O-N 3.12Å; S238-A241 VanDerWaalsContact O-N 3.11Å; S238-K244 WeakPolarHBondContact O-CE 3.35Å; S238-K244 PolarHBondContact O-NZ 3.42Å
239L87.3Confident89Confident93 Ų9359 Ų5949%0.48730%0.302SS..Hα-helixtrans-60.4-30178.7-71.4173.9000113.2R161 L235 R237R161-L239 PolarHBondContact NH2-O 2.81Å; L235-L239 HydrophobicContact CD1-CD1 4.27Å; L235-L239 HydrophobicContact CD1-CD2 4.48Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CG-CD1 4.02Å; L235-L239 HydrophobicContact CG-CG 4.29Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 VanDerWaalsContact O-CG 3.23Å; L235-L239 WeakPolarHBondContact O-CG 3.26Å; L235-L239 PolarHBondContact O-N 2.99Å; R237-L239 PolarHBondContact O-N 2.88Å
240Q84.8Confident88.7Confident11 Ų1157.7 Ų57.75%0.05130%0.304CS..Hα-helixtrans-82.4-25.4178.6-66.717155.700112.9R165 L236 R237 S238R165-Q240 PolarHBondContact NH2-O 3.04Å; L236-Q240 WeakPolarHBondContact O-CG 3.49Å; L236-Q240 PolarHBondContact O-N 2.95Å; L236-Q240 PolarHBondContact O-NE2 2.94Å; R237-Q240 PolarHBondContact O-N 3.22Å; R237-Q240 VanDerWaalsContact O-N 3.17Å; S238-Q240 PolarHBondContact O-N 3.34Å
241A83.4Confident88.4Confident18 Ų1862.2 Ų62.215%0.14933%0.334CS..  trans-65.3136.2178.500000112.3R237 S238 K244 F247R237-A241 PolarHBondContact O-N 2.98Å; S238-A241 WeakPolarHBondContact O-CB 3.46Å; S238-A241 PolarHBondContact O-N 3.12Å; S238-A241 VanDerWaalsContact O-N 3.11Å; A241-K244 PolarHBondContact O-NZ 2.82Å; A241-F247 HydrophobicContact CB-CB 3.73Å; A241-F247 HydrophobicContact CB-CD2 3.71Å; A241-F247 HydrophobicContact CB-CG 3.81Å
242E80.9Confident88Confident145 Ų14563.7 Ų63.768%0.67834%0.34SS*.SBendtrans-73.2-43.5179.4-66.5176.9-171.100111.4
243S86.3Confident87.9Confident69 Ų6959.6 Ų59.648%0.48332%0.322SS..  trans-116.1110.5175.654.80000111C245 A246 F247S243-C245 VanDerWaalsContact C-N 3.35Å; S243-C245 PolarHBondContact O-N 3.03Å; S243-A246 PolarHBondContact O-N 3.42Å; S243-A246 WeakPolarHBondContact OG-CB 3.18Å; S243-F247 WeakPolarHBondContact O-CB 3.3Å; S243-F247 PolarHBondContact O-N 2.9Å
244K87.1Confident87.8Confident87 Ų8763 Ų6338%0.37834%0.34SS..Hα-helixtrans-63.1-39.8-177.6-53.1-54-177.9-153.20112.1S238 A241 F247 L248S238-K244 WeakPolarHBondContact O-CE 3.35Å; S238-K244 PolarHBondContact O-NZ 3.42Å; A241-K244 PolarHBondContact O-NZ 2.82Å; K244-F247 WeakPolarHBondContact O-CB 3.38Å; K244-F247 PolarHBondContact O-N 3.14Å; K244-L248 VanDerWaalsContact O-CG 3.27Å; K244-L248 WeakPolarHBondContact O-CG 3.38Å; K244-L248 PolarHBondContact O-N 3.37Å
245C88.2Confident87.7Confident85 Ų8563.5 Ų63.557%0.57434%0.344SS*.Hα-helixtrans-65.9-40.1179-69.90000113S243 F247 L248 R249S243-C245 VanDerWaalsContact C-N 3.35Å; S243-C245 PolarHBondContact O-N 3.03Å; C245-F247 VanDerWaalsContact C-N 3.34Å; C245-L248 PolarHBondContact O-N 3.21Å; C245-R249 WeakPolarHBondContact O-CG 3.43Å; C245-R249 PolarHBondContact O-N 2.89Å
246A87.7Confident87.6Confident56 Ų5659 Ų5946%0.46332%0.32SS..Hα-helixtrans-68.5-39.3176.200000110.6S243 R249 A250S243-A246 PolarHBondContact O-N 3.42Å; S243-A246 WeakPolarHBondContact OG-CB 3.18Å; A246-R249 PolarHBondContact O-N 3.49Å; A246-A250 PolarHBondContact O-N 2.83Å
247F88.5Confident87.7Confident31 Ų3160.7 Ų60.714%0.13633%0.328CS..Hα-helixtrans-58.4-48.9173.7178.3-94.3000111.9F234 R237 A241 S243 K244 C245 R249 A250 N253F234-F247 HydrophobicContact CD2-CE1 4.31Å; F234-F247 AromaticContact CE2-CE1 3.72Å; F234-F247 HydrophobicContact CE2-CE1 3.72Å; F234-F247 HydrophobicContact CE2-CZ 4.33Å; F234-F247 AromaticContact CZ-CE1 3.98Å; F234-F247 HydrophobicContact CZ-CE1 3.98Å; R237-F247 HydrophobicContact CB-CE2 3.85Å; R237-F247 HydrophobicContact CB-CZ 3.68Å; A241-F247 HydrophobicContact CB-CB 3.73Å; A241-F247 HydrophobicContact CB-CD2 3.71Å; A241-F247 HydrophobicContact CB-CG 3.81Å; S243-F247 WeakPolarHBondContact O-CB 3.3Å; S243-F247 PolarHBondContact O-N 2.9Å; K244-F247 WeakPolarHBondContact O-CB 3.38Å; K244-F247 PolarHBondContact O-N 3.14Å; C245-F247 VanDerWaalsContact C-N 3.34Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 3.02Å; F247-A250 WeakPolarHBondContact O-CB 3.41Å; F247-A250 PolarHBondContact O-N 3.44Å; F247-N253 WeakPolarHBondContact CD2-ND2 3.01Å; F247-N253 HydrophobicContact CE1-CB 4.4Å; F247-N253 WeakPolarHBondContact CE2-ND2 3.42Å; F247-N253 HydrophobicContact CZ-CB 4.47Å; F247-N253 WeakPolarHBondContact CZ-ND2 3.46Å; F247-N253 WeakPolarHBondContact O-CB 3.28Å; F247-N253 PolarHBondContact O-ND2 2.87Å
248L88.8Confident87.7Confident75 Ų7563.5 Ų63.539%0.39334%0.344SS..Hα-helixtrans-65.8-26.8-179.4-67.3173.1000113.4F234 K244 C245 I254 I257F234-L248 HydrophobicContact CZ-CD2 3.76Å; K244-L248 VanDerWaalsContact O-CG 3.27Å; K244-L248 WeakPolarHBondContact O-CG 3.38Å; K244-L248 PolarHBondContact O-N 3.37Å; C245-L248 PolarHBondContact O-N 3.21Å; L248-I254 WeakPolarHBondContact O-CG1 3.31Å; L248-I257 HydrophobicContact CD2-CD1 3.62Å
249R88.9Confident87.7Confident199 Ų19962.4 Ų62.475%0.75134%0.336SS*.Hα-helixtrans-82.6-9.6177.5-72178.9-174.1155.61.4113.9C245 A246 F247C245-R249 WeakPolarHBondContact O-CG 3.43Å; C245-R249 PolarHBondContact O-N 2.89Å; A246-R249 PolarHBondContact O-N 3.49Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 3.02Å
250A87.5Confident87.9Confident33 Ų3358.8 Ų58.827%0.27332%0.317SS..SBendtrans-69.9135.5178.700000110.8A246 F247 L252 N253 I254A246-A250 PolarHBondContact O-N 2.83Å; F247-A250 WeakPolarHBondContact O-CB 3.41Å; F247-A250 PolarHBondContact O-N 3.44Å; A250-L252 VanDerWaalsContact C-N 3.35Å; A250-L252 PolarHBondContact O-N 3.43Å; A250-N253 HydrophobicContact CB-CB 4.37Å; A250-N253 WeakPolarHBondContact O-CA 3.47Å; A250-N253 WeakPolarHBondContact O-CB 3.41Å; A250-N253 PolarHBondContact O-N 3.06Å; A250-I254 PolarHBondContact O-N 3.42Å
251P86.6Confident88.1Confident98 Ų9861.3 Ų61.364%0.63633%0.331SS*.Hα-helixtrans-60.2-39.3-169.221.7-33.3000113.7N253 I254 I255P251-N253 VanDerWaalsContact C-N 3.29Å; P251-N253 PolarHBondContact O-N 3.31Å; P251-I254 PolarHBondContact O-N 3.4Å; P251-I255 WeakPolarHBondContact O-CG1 3.16Å; P251-I255 PolarHBondContact O-N 3.13Å; P251-I255 VanDerWaalsContact O-N 3.15Å
252L87Confident88.4Confident53 Ų5360.4 Ų60.428%0.27732%0.324SS..Hα-helixtrans-66.8-30.8176.6-63.5176.5000112.6A250 D256 A303A250-L252 VanDerWaalsContact C-N 3.35Å; A250-L252 PolarHBondContact O-N 3.43Å; L252-D256 PolarHBondContact O-N 3.18Å; L252-A303 HydrophobicContact CD2-CB 4.26Å
253N90.1Very high88.7Confident11 Ų1154.4 Ų54.46%0.05930%0.295CS..Hα-helixtrans-79.7-30.4178.3-62.4-20.5000111.4F247 A250 P251 D256 I257 R304F247-N253 WeakPolarHBondContact CD2-ND2 3.01Å; F247-N253 HydrophobicContact CE1-CB 4.4Å; F247-N253 WeakPolarHBondContact CE2-ND2 3.42Å; F247-N253 HydrophobicContact CZ-CB 4.47Å; F247-N253 WeakPolarHBondContact CZ-ND2 3.46Å; F247-N253 WeakPolarHBondContact O-CB 3.28Å; F247-N253 PolarHBondContact O-ND2 2.87Å; A250-N253 HydrophobicContact CB-CB 4.37Å; A250-N253 WeakPolarHBondContact O-CA 3.47Å; A250-N253 WeakPolarHBondContact O-CB 3.41Å; A250-N253 PolarHBondContact O-N 3.06Å; P251-N253 VanDerWaalsContact C-N 3.29Å; P251-N253 PolarHBondContact O-N 3.31Å; N253-D256 PolarHBondContact O-N 2.85Å; N253-I257 WeakPolarHBondContact O-CD1 3.3Å; N253-I257 VanDerWaalsContact O-CG1 3.28Å; N253-I257 WeakPolarHBondContact O-CG1 3.5Å; N253-I257 PolarHBondContact O-N 3.49Å; N253-R304 PolarHBondContact OD1-NH2 3.3Å
254I90.4Very high88.9Confident73 Ų7356.1 Ų56.137%0.37429%0.292SS..Hα-helixtrans-61.8-44.6169.8-64.8171000110.2L248 A250 P251 D256 I257 L258L248-I254 WeakPolarHBondContact O-CG1 3.31Å; A250-I254 PolarHBondContact O-N 3.42Å; P251-I254 PolarHBondContact O-N 3.4Å; I254-D256 VanDerWaalsContact C-N 3.32Å; I254-D256 PolarHBondContact O-N 3.26Å; I254-I257 PolarHBondContact O-N 2.87Å; I254-L258 HydrophobicContact CG2-CD1 3.88Å; I254-L258 HydrophobicContact CG2-CG 4.25Å; I254-L258 WeakPolarHBondContact O-CB 3.35Å; I254-L258 WeakPolarHBondContact O-CG 3.36Å; I254-L258 PolarHBondContact O-N 3.36Å
255I89.9Confident89Confident44 Ų4454.5 Ų54.523%0.22629%0.289CS..Hα-helixtrans-59.1-44.5175.2-65.6169.1000110.7P251 I257 L258 A259 M300 R301P251-I255 WeakPolarHBondContact O-CG1 3.16Å; P251-I255 PolarHBondContact O-N 3.13Å; P251-I255 VanDerWaalsContact O-N 3.15Å; I255-I257 VanDerWaalsContact C-N 3.35Å; I255-I257 PolarHBondContact O-N 3.19Å; I255-L258 PolarHBondContact O-N 3.33Å; I255-A259 WeakPolarHBondContact O-CB 3.45Å; I255-A259 PolarHBondContact O-N 3.41Å; I255-M300 HydrophobicContact CG2-CB 3.81Å; I255-R301 HydrophobicContact CG2-CG 4.4Å
256D90.2Very high88.7Confident2 Ų252.3 Ų52.31%0.01128%0.275CS..Hα-helixtrans-60.1-42.8176.7-73-14000111.8F234 L252 N253 I254 A259 L260 R301 R304F234-D256 HydrophobicContact CD2-CB 4.08Å; L252-D256 PolarHBondContact O-N 3.18Å; N253-D256 PolarHBondContact O-N 2.85Å; I254-D256 VanDerWaalsContact C-N 3.32Å; I254-D256 PolarHBondContact O-N 3.26Å; D256-A259 PolarHBondContact O-N 3.08Å; D256-L260 WeakPolarHBondContact O-CG 3.31Å; D256-L260 PolarHBondContact O-N 3.2Å; D256-L260 VanDerWaalsContact O-N 3.09Å; D256-R301 WeakPolarHBondContact OD1-CG 3.5Å; D256-R301 IonicContact OD1-CZ 3.99Å; D256-R301 IonicContact OD1-NE 3.93Å; D256-R301 PolarHBondContact OD1-NE 3.43Å; D256-R301 IonicContact OD1-NH2 2.99Å; D256-R301 IonicContact OD2-NH2 3.62Å; D256-R304 IonicContact OD2-CZ 2.74Å; D256-R304 IonicContact OD2-NE 3.41Å; D256-R304 PolarHBondContact OD2-NE 3.48Å; D256-R304 IonicContact OD2-NH2 3.82Å; D256-R304 PolarHBondContact OD2-NH2 3.07Å
257I91Very high88.6Confident60 Ų6053.5 Ų53.531%0.30827%0.273SS..Hα-helixtrans-66.1-46.6177.5-66.1161.3000111.2F234 L248 N253 I254 I255 A259 L260 L261F234-I257 HydrophobicContact CE2-CD1 4.13Å; F234-I257 HydrophobicContact CE2-CG1 3.66Å; F234-I257 HydrophobicContact CZ-CD1 3.96Å; F234-I257 HydrophobicContact CZ-CG1 3.64Å; L248-I257 HydrophobicContact CD2-CD1 3.62Å; N253-I257 WeakPolarHBondContact O-CD1 3.3Å; N253-I257 VanDerWaalsContact O-CG1 3.28Å; N253-I257 WeakPolarHBondContact O-CG1 3.5Å; N253-I257 PolarHBondContact O-N 3.49Å; I254-I257 PolarHBondContact O-N 2.87Å; I255-I257 VanDerWaalsContact C-N 3.35Å; I255-I257 PolarHBondContact O-N 3.19Å; I257-A259 PolarHBondContact O-N 3.48Å; I257-L260 PolarHBondContact O-N 2.84Å; I257-L261 WeakPolarHBondContact O-CB 3.42Å; I257-L261 PolarHBondContact O-N 2.95Å
258L89.8Confident88.4Confident67 Ų6757.8 Ų57.835%0.35130%0.297SS..Hα-helixtrans-62.3-31.1178.7-72.9174.5000112I254 I255 P262 L297I254-L258 HydrophobicContact CG2-CD1 3.88Å; I254-L258 HydrophobicContact CG2-CG 4.25Å; I254-L258 WeakPolarHBondContact O-CB 3.35Å; I254-L258 WeakPolarHBondContact O-CG 3.36Å; I254-L258 PolarHBondContact O-N 3.36Å; I255-L258 PolarHBondContact O-N 3.33Å; L258-P262 WeakPolarHBondContact O-CD 3.25Å; L258-L297 HydrophobicContact CB-CD1 3.83Å; L258-L297 HydrophobicContact CD1-CD1 4.36Å
259A88.2Confident88.1Confident1 Ų155.5 Ų55.51%0.00829%0.285CS..Hα-helixtrans-71.2-36.6171.200000112.1I255 D256 I257 L261 P262 Y298 R301I255-A259 WeakPolarHBondContact O-CB 3.45Å; I255-A259 PolarHBondContact O-N 3.41Å; D256-A259 PolarHBondContact O-N 3.08Å; I257-A259 PolarHBondContact O-N 3.48Å; A259-L261 VanDerWaalsContact C-N 3.33Å; A259-L261 PolarHBondContact O-N 3.03Å; A259-P262 WeakPolarHBondContact O-CD 3.4Å; A259-Y298 HydrophobicContact CB-CD1 3.63Å; A259-Y298 HydrophobicContact CB-CE1 4.01Å; A259-Y298 HydrophobicContact CB-CG 4.32Å; A259-Y298 WeakPolarHBondContact O-CE1 3.44Å; A259-Y298 PolarHBondContact O-OH 2.86Å; A259-R301 HydrophobicContact CB-CG 4.22Å
260L90.6Very high87.5Confident17 Ų1748.3 Ų48.39%0.08927%0.273CS..Hα-helixtrans-72.8-28.7177.2-65.5175.5000113V227 F230 S231 F234 D256 I257 F263 Y264V227-L260 HydrophobicContact CG1-CD2 3.95Å; F230-L260 HydrophobicContact CB-CD2 3.76Å; S231-L260 WeakPolarHBondContact OG-CD2 3.01Å; F234-L260 HydrophobicContact CB-CD1 4.25Å; F234-L260 HydrophobicContact CG-CD1 4.36Å; D256-L260 WeakPolarHBondContact O-CG 3.31Å; D256-L260 PolarHBondContact O-N 3.2Å; D256-L260 VanDerWaalsContact O-N 3.09Å; I257-L260 PolarHBondContact O-N 2.84Å; L260-F263 PolarHBondContact O-N 3.4Å; L260-Y264 HydrophobicContact CB-CD2 4.12Å; L260-Y264 HydrophobicContact CB-CE2 4.13Å; L260-Y264 HydrophobicContact CD2-CE2 4.44Å; L260-Y264 VanDerWaalsContact O-CD2 3.3Å; L260-Y264 WeakPolarHBondContact O-CD2 3.39Å; L260-Y264 PolarHBondContact O-N 3.4Å
261L89.9Confident87.2Confident63 Ų6352.8 Ų52.833%0.3329%0.291SS..Hα-helixtrans-57.5-45.7-169.3-171.2147.8000114.9I257 A259 F263 Y264 V265 L291I257-L261 WeakPolarHBondContact O-CB 3.42Å; I257-L261 PolarHBondContact O-N 2.95Å; A259-L261 VanDerWaalsContact C-N 3.33Å; A259-L261 PolarHBondContact O-N 3.03Å; L261-F263 PolarHBondContact O-N 2.95Å; L261-Y264 PolarHBondContact O-N 3.3Å; L261-V265 HydrophobicContact CD2-CG2 3.76Å; L261-V265 HydrophobicContact CG-CG2 3.87Å; L261-V265 WeakPolarHBondContact O-CB 3.32Å; L261-V265 VanDerWaalsContact O-CG2 3.26Å; L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.22Å; L261-L291 HydrophobicContact CD2-CD2 3.5Å; L261-L291 VanDerWaalsContact CD2-CD2 3.5Å
262P88.3Confident86.7Confident0 Ų050.5 Ų50.50%028%0.28CS..Hα-helixtrans-53.3-48.2179.6-31.137.9000114.3L258 A259 S266 L291 L294 R295 Y298L258-P262 WeakPolarHBondContact O-CD 3.25Å; A259-P262 WeakPolarHBondContact O-CD 3.4Å; P262-S266 WeakPolarHBondContact O-CB 3.45Å; P262-S266 PolarHBondContact O-N 2.95Å; P262-S266 PolarHBondContact O-OG 3.32Å; P262-S266 VanDerWaalsContact O-OG 3.08Å; P262-L291 HydrophobicContact CB-CB 4.26Å; P262-L291 WeakPolarHBondContact CB-O 3.23Å; P262-L291 WeakPolarHBondContact CG-O 3.45Å; P262-L294 HydrophobicContact CG-CB 3.72Å; P262-R295 HydrophobicContact CB-CG 4.15Å; P262-R295 HydrophobicContact CG-CG 4.5Å; P262-Y298 HydrophobicContact CG-CE1 4.41Å
263F88.6Confident85.9Confident19 Ų1949.4 Ų49.48%0.08328%0.279CS..Hα-helixtrans-65.2-49.7-177.3-179.7-92000111.6F220 E223 T224 V227 L260 L261 V265 S266 L267F220-F263 HydrophobicContact CE2-CE2 4.2Å; F220-F263 HydrophobicContact CZ-CE2 4.44Å; E223-F263 HydrophobicContact CG-CD2 4.25Å; T224-F263 HydrophobicContact CG2-CZ 4Å; V227-F263 HydrophobicContact CB-CD1 4.35Å; V227-F263 HydrophobicContact CB-CG 4.26Å; V227-F263 HydrophobicContact CG1-CB 4.08Å; V227-F263 HydrophobicContact CG1-CD1 3.7Å; V227-F263 HydrophobicContact CG1-CE1 4.33Å; V227-F263 HydrophobicContact CG1-CG 3.91Å; V227-F263 HydrophobicContact CG2-CB 4Å; V227-F263 HydrophobicContact CG2-CD2 4.26Å; V227-F263 HydrophobicContact CG2-CG 4.05Å; L260-F263 PolarHBondContact O-N 3.4Å; L261-F263 PolarHBondContact O-N 2.95Å; F263-V265 PolarHBondContact O-N 2.83Å; F263-S266 PolarHBondContact O-N 2.82Å; F263-L267 HydrophobicContact CE1-CD2 4.39Å; F263-L267 WeakPolarHBondContact O-CB 3.31Å; F263-L267 PolarHBondContact O-N 3.23Å
264Y90.2Very high84.6Confident104 Ų10452.5 Ų52.541%0.40831%0.313SS..Hα-helixtrans-68-36.4-177.8-73.3-68.9000112.9V227 S231 L260 L261 L267 L268V227-Y264 HydrophobicContact CG1-CE2 4.02Å; S231-Y264 WeakPolarHBondContact CB-OH 3.25Å; S231-Y264 WeakPolarHBondContact OG-CE2 3.4Å; S231-Y264 PolarHBondContact OG-OH 3.35Å; L260-Y264 HydrophobicContact CB-CD2 4.12Å; L260-Y264 HydrophobicContact CB-CE2 4.13Å; L260-Y264 HydrophobicContact CD2-CE2 4.44Å; L260-Y264 VanDerWaalsContact O-CD2 3.3Å; L260-Y264 WeakPolarHBondContact O-CD2 3.39Å; L260-Y264 PolarHBondContact O-N 3.4Å; L261-Y264 PolarHBondContact O-N 3.3Å; Y264-L267 PolarHBondContact O-N 3.06Å; Y264-L268 VanDerWaalsContact O-CB 3.31Å; Y264-L268 WeakPolarHBondContact O-CB 3.26Å; Y264-L268 PolarHBondContact O-N 3.09Å
265V88.2Confident83.1Confident53 Ų5354.4 Ų54.432%0.32133%0.333SS..Hα-helixtrans-69.1-41.8175.5176.50000110.9L261 F263 L267 L268 L269 L291L261-V265 HydrophobicContact CD2-CG2 3.76Å; L261-V265 HydrophobicContact CG-CG2 3.87Å; L261-V265 WeakPolarHBondContact O-CB 3.32Å; L261-V265 VanDerWaalsContact O-CG2 3.26Å; L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.22Å; F263-V265 PolarHBondContact O-N 2.83Å; V265-L267 VanDerWaalsContact C-N 3.35Å; V265-L267 PolarHBondContact O-N 3.4Å; V265-L268 PolarHBondContact O-N 3.16Å; V265-L269 WeakPolarHBondContact O-CB 3.13Å; V265-L269 PolarHBondContact O-N 3Å; V265-L291 HydrophobicContact CB-CD1 3.87Å; V265-L291 HydrophobicContact CG1-CD1 3.47Å; V265-L291 VanDerWaalsContact CG1-CD1 3.47Å
266S82.6Confident81.4Confident40 Ų4055.6 Ų55.628%0.2836%0.357SS..Hα-helixtrans-61.8-41.4174-70.50000112.2P262 F263 G270P262-S266 WeakPolarHBondContact O-CB 3.45Å; P262-S266 PolarHBondContact O-N 2.95Å; P262-S266 PolarHBondContact O-OG 3.32Å; P262-S266 VanDerWaalsContact O-OG 3.08Å; F263-S266 PolarHBondContact O-N 2.82Å; S266-G270 PolarHBondContact O-N 3.47Å
267L84.9Confident79.9Confident81 Ų8156.6 Ų56.642%0.42437%0.367SS..Hα-helixtrans-63.8-47.2176-177.165.9000111.8F263 Y264 V265 L269 G270 L271F263-L267 HydrophobicContact CE1-CD2 4.39Å; F263-L267 WeakPolarHBondContact O-CB 3.31Å; F263-L267 PolarHBondContact O-N 3.23Å; Y264-L267 PolarHBondContact O-N 3.06Å; V265-L267 VanDerWaalsContact C-N 3.35Å; V265-L267 PolarHBondContact O-N 3.4Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.47Å; L267-G270 PolarHBondContact O-N 3.33Å; L267-L271 HydrophobicContact CG-CD1 4.4Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.5Å
268L85.7Confident78.4Confident120 Ų12059.1 Ų59.163%0.62839%0.386SS*.Hα-helixtrans-61.7-41.6178.8-17765.4000111.7Y264 V265 L271 A272Y264-L268 VanDerWaalsContact O-CB 3.31Å; Y264-L268 WeakPolarHBondContact O-CB 3.26Å; Y264-L268 PolarHBondContact O-N 3.09Å; V265-L268 PolarHBondContact O-N 3.16Å; L268-L271 PolarHBondContact O-N 3.19Å; L268-A272 WeakPolarHBondContact O-CB 3.27Å; L268-A272 PolarHBondContact O-N 3.06Å
269L81.9Confident77.1Confident28 Ų2863.8 Ų63.815%0.14740%0.403CS..Hα-helixtrans-67.6-38177.5-172.365.1000111.9V265 L267 A272 A273 L280 L281 A284 L288V265-L269 WeakPolarHBondContact O-CB 3.13Å; V265-L269 PolarHBondContact O-N 3Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.47Å; L269-A272 PolarHBondContact O-N 3.38Å; L269-A273 WeakPolarHBondContact O-CB 3.28Å; L269-A273 PolarHBondContact O-N 3.2Å; L269-L280 HydrophobicContact CD1-CD2 3.66Å; L269-L280 HydrophobicContact CD1-CG 4.07Å; L269-L281 HydrophobicContact CD2-CD1 4.47Å; L269-L281 HydrophobicContact CG-CD1 4.48Å; L269-A284 HydrophobicContact CD1-CB 4.43Å; L269-A284 HydrophobicContact CD2-CB 3.52Å; L269-L288 HydrophobicContact CD2-CD1 3.92Å; L269-L288 HydrophobicContact CD2-CD2 3.95Å; L269-L288 HydrophobicContact CD2-CG 3.98Å
270G76.9Confident76Confident48 Ų4868.1 Ų68.150%0.49543%0.426SS..Hα-helixtrans-62.2-42.617400000112.7S266 L267 A273 G274S266-G270 PolarHBondContact O-N 3.47Å; L267-G270 PolarHBondContact O-N 3.33Å; G270-A273 PolarHBondContact O-N 3.02Å; G270-G274 PolarHBondContact O-N 3.36Å
271L80.8Confident74.8Confident127 Ų12771.5 Ų71.567%0.66544%0.443SS*.Hα-helixtrans-64.9-42.4174.7-69.7169.5000112.1L267 L268 G274L267-L271 HydrophobicContact CG-CD1 4.4Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.5Å; L268-L271 PolarHBondContact O-N 3.19Å; L271-G274 PolarHBondContact O-N 3Å
272A76.5Confident73.6Confident49 Ų4976.3 Ų76.341%0.40546%0.464SS..Hα-helixtrans-68-33.717900000113L268 L269 G274 S275L268-A272 WeakPolarHBondContact O-CB 3.27Å; L268-A272 PolarHBondContact O-N 3.06Å; L269-A272 PolarHBondContact O-N 3.38Å; A272-G274 VanDerWaalsContact C-N 3.31Å; A272-G274 PolarHBondContact O-N 3.48Å; A272-S275 PolarHBondContact O-N 3.33Å
273A68.8Low72.6Confident31 Ų3186.5 Ų86.526%0.25650%0.502SS..Hα-helixtrans-67.2-29.6178.700000113L269 G270 S275 G276 G277 L281L269-A273 WeakPolarHBondContact O-CB 3.28Å; L269-A273 PolarHBondContact O-N 3.2Å; G270-A273 PolarHBondContact O-N 3.02Å; A273-S275 PolarHBondContact O-N 3.11Å; A273-S275 VanDerWaalsContact O-N 3.12Å; A273-G276 PolarHBondContact O-N 2.94Å; A273-G277 PolarHBondContact O-N 2.99Å; A273-L281 HydrophobicContact CB-CD1 4.25Å
274G62.7Low71.8Confident75 Ų7586.1 Ų86.177%0.77350%0.503SS*.THydrogen-bonded Turntrans-62.4-14.1177.100000115.2G270 L271 A272G270-G274 PolarHBondContact O-N 3.36Å; L271-G274 PolarHBondContact O-N 3Å; A272-G274 VanDerWaalsContact C-N 3.31Å; A272-G274 PolarHBondContact O-N 3.48Å
275S59.9Low71.1Confident113 Ų11382.3 Ų82.379%0.7950%0.495SS*.THydrogen-bonded Turntrans-99.516.9-179.6-168.50000114.5A272 A273A272-S275 PolarHBondContact O-N 3.33Å; A273-S275 PolarHBondContact O-N 3.11Å; A273-S275 VanDerWaalsContact O-N 3.12Å
276G54.5Low70.5Confident70 Ų7086 Ų8672%0.72251%0.513SS*.THydrogen-bonded Turntrans10519.6175.700000115.7A273 T278A273-G276 PolarHBondContact O-N 2.94Å; G276-T278 PolarHBondContact O-N 3.31Å
277G57.4Low70.4Confident22 Ų2287.8 Ų87.823%0.22752%0.521CS..  trans-95.542.9-171.400000116.4A273 K279 L280 L281A273-G277 PolarHBondContact O-N 2.99Å; G277-K279 PolarHBondContact O-N 2.84Å; G277-L280 WeakPolarHBondContact O-CB 3.43Å; G277-L280 PolarHBondContact O-N 3.26Å; G277-L281 PolarHBondContact O-N 3.41Å
278T59.7Low69.9Low114 Ų11485.8 Ų85.870%0.69951%0.511SS*.Hα-helixtrans-58.7-32.9-177.453.70000113.5G276 L280 L281 E282G276-T278 PolarHBondContact O-N 3.31Å; T278-L280 VanDerWaalsContact C-N 3.33Å; T278-L280 PolarHBondContact O-N 2.72Å; T278-L281 PolarHBondContact O-N 2.79Å; T278-E282 PolarHBondContact O-N 3.18Å
279K62.6Low69.6Low165 Ų16588.5 Ų88.572%0.71751%0.513SS*.Hα-helixtrans-69-25.4175.6-65.9-179-179.61770114.1G277 R283G277-K279 PolarHBondContact O-N 2.84Å; K279-R283 PolarHBondContact O-N 2.85Å
280L64.8Low69.6Low92 Ų9292.5 Ų92.548%0.48253%0.534SS..Hα-helixtrans-76.6-36.7178.3-168.272.8000110.5L269 G277 T278 R283 A284L269-L280 HydrophobicContact CD1-CD2 3.66Å; L269-L280 HydrophobicContact CD1-CG 4.07Å; G277-L280 WeakPolarHBondContact O-CB 3.43Å; G277-L280 PolarHBondContact O-N 3.26Å; T278-L280 VanDerWaalsContact C-N 3.33Å; T278-L280 PolarHBondContact O-N 2.72Å; L280-R283 PolarHBondContact O-N 2.87Å; L280-A284 WeakPolarHBondContact O-CB 3.44Å; L280-A284 PolarHBondContact O-N 3.21Å
281L65.2Low69.9Low87 Ų8790.7 Ų90.746%0.45551%0.513SS..Hα-helixtrans-66.1-41.9179.9-156.485.3000112L269 A273 G277 T278 A284 G285L269-L281 HydrophobicContact CD2-CD1 4.47Å; L269-L281 HydrophobicContact CG-CD1 4.48Å; A273-L281 HydrophobicContact CB-CD1 4.25Å; G277-L281 PolarHBondContact O-N 3.41Å; T278-L281 PolarHBondContact O-N 2.79Å; L281-A284 CarbonylContact O-C 3.58Å; L281-A284 PolarHBondContact O-N 3.16Å; L281-G285 PolarHBondContact O-N 3.47Å; L281-G285 VanDerWaalsContact O-N 3.16Å
282E66.1Low69.8Low164 Ų16489.9 Ų89.977%0.76650%0.501SS*.Hα-helixtrans-62.8-45.6175-80.6-171.6147.300112.3T278 A284 G285T278-E282 PolarHBondContact O-N 3.18Å; E282-A284 VanDerWaalsContact C-N 3.26Å; E282-A284 PolarHBondContact O-N 2.79Å; E282-G285 PolarHBondContact O-N 3.46Å
283R66.6Low70.1Confident214 Ų21490.5 Ų90.581%0.80851%0.506SS*.Hα-helixtrans-67.2-28.8175.9-70.1-176178.8179-0.4112.5K279 L280 G285K279-R283 PolarHBondContact O-N 2.85Å; L280-R283 PolarHBondContact O-N 2.87Å; R283-G285 VanDerWaalsContact C-N 3.32Å
284A72.5Confident70.9Confident11 Ų1191.2 Ų91.29%0.09151%0.505CS..THydrogen-bonded Turntrans-81.3-5.3177.500000113.6L269 L280 L281 E282 L286 V287 L288L269-A284 HydrophobicContact CD1-CB 4.43Å; L269-A284 HydrophobicContact CD2-CB 3.52Å; L280-A284 WeakPolarHBondContact O-CB 3.44Å; L280-A284 PolarHBondContact O-N 3.21Å; L281-A284 CarbonylContact O-C 3.58Å; L281-A284 PolarHBondContact O-N 3.16Å; E282-A284 VanDerWaalsContact C-N 3.26Å; E282-A284 PolarHBondContact O-N 2.79Å; A284-L286 VanDerWaalsContact C-N 3.32Å; A284-L286 PolarHBondContact O-N 3.19Å; A284-V287 CarbonylContact O-C 3.51Å; A284-V287 WeakPolarHBondContact O-CA 3.34Å; A284-V287 WeakPolarHBondContact O-CB 3.34Å; A284-V287 PolarHBondContact O-N 2.86Å; A284-L288 HydrophobicContact CB-CD1 4.49Å; A284-L288 WeakPolarHBondContact O-CB 3.39Å; A284-L288 WeakPolarHBondContact O-CG 3.3Å; A284-L288 PolarHBondContact O-N 3.39Å
285G75.1Confident71.9Confident24 Ų2490 Ų9025%0.24748%0.477CS..Hα-helixtrans-56.7-41.1-17900000113.9L281 E282 R283 R289L281-G285 PolarHBondContact O-N 3.47Å; L281-G285 VanDerWaalsContact O-N 3.16Å; E282-G285 PolarHBondContact O-N 3.46Å; R283-G285 VanDerWaalsContact C-N 3.32Å; G285-R289 WeakPolarHBondContact O-CG 3.49Å; G285-R289 PolarHBondContact O-N 2.97Å; G285-R289 VanDerWaalsContact O-N 3.08Å
286L75.8Confident73.1Confident131 Ų13188.7 Ų88.769%0.68646%0.464SS*.Hα-helixtrans-66.2-41.9173.7-73.6170.7000112.1A284 R289 L290A284-L286 VanDerWaalsContact C-N 3.32Å; A284-L286 PolarHBondContact O-N 3.19Å; L286-R289 PolarHBondContact O-N 3.29Å; L286-L290 PolarHBondContact O-N 3.11Å
287V79.6Confident74.6Confident77 Ų7787.5 Ų87.547%0.46744%0.441SS..Hα-helixtrans-64.8-45.6178.5178.20000110.1A284 R289 L290 L291A284-V287 CarbonylContact O-C 3.51Å; A284-V287 WeakPolarHBondContact O-CA 3.34Å; A284-V287 WeakPolarHBondContact O-CB 3.34Å; A284-V287 PolarHBondContact O-N 2.86Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 PolarHBondContact O-N 3.44Å; V287-L290 WeakPolarHBondContact O-CB 3.18Å; V287-L290 PolarHBondContact O-N 3.16Å; V287-L290 VanDerWaalsContact O-N 3.13Å; V287-L291 HydrophobicContact CG1-CD1 4.05Å; V287-L291 HydrophobicContact CG1-CG 4.2Å; V287-L291 VanDerWaalsContact O-CG 3.25Å; V287-L291 WeakPolarHBondContact O-CG 3.44Å; V287-L291 PolarHBondContact O-N 3.31Å
288L75.7Confident76Confident39 Ų3987 Ų8720%0.20443%0.432CS..Hα-helixtrans-60.8-39.8176.4-74.3170.8000112.2L269 A284 L291 R292L269-L288 HydrophobicContact CD2-CD1 3.92Å; L269-L288 HydrophobicContact CD2-CD2 3.95Å; L269-L288 HydrophobicContact CD2-CG 3.98Å; A284-L288 HydrophobicContact CB-CD1 4.49Å; A284-L288 WeakPolarHBondContact O-CB 3.39Å; A284-L288 WeakPolarHBondContact O-CG 3.3Å; A284-L288 PolarHBondContact O-N 3.39Å; L288-L291 HydrophobicContact CD2-CD1 4.38Å; L288-L291 PolarHBondContact O-N 3.39Å; L288-R292 WeakPolarHBondContact O-CG 3.48Å; L288-R292 PolarHBondContact O-N 3.12Å
289R79.1Confident77.2Confident178 Ų17884.3 Ų84.367%0.67242%0.416SS*.Hα-helixtrans-62.3-43.2172.5-73.9176.2-165.6161.44.5112G285 L286 V287 R292 A293G285-R289 WeakPolarHBondContact O-CG 3.49Å; G285-R289 PolarHBondContact O-N 2.97Å; G285-R289 VanDerWaalsContact O-N 3.08Å; L286-R289 PolarHBondContact O-N 3.29Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 PolarHBondContact O-N 3.44Å; R289-R292 PolarHBondContact O-N 3.3Å; R289-A293 PolarHBondContact O-N 3.26Å; R289-A293 VanDerWaalsContact O-N 3.15Å
290L81.3Confident78.4Confident111 Ų11180.7 Ų80.758%0.58140%0.402SS*.Hα-helixtrans-64.7-43.8176.1-176.964.4000111.5L286 V287 R292 A293 L294L286-L290 PolarHBondContact O-N 3.11Å; V287-L290 WeakPolarHBondContact O-CB 3.18Å; V287-L290 PolarHBondContact O-N 3.16Å; V287-L290 VanDerWaalsContact O-N 3.13Å; L290-R292 VanDerWaalsContact C-N 3.3Å; L290-R292 PolarHBondContact O-N 2.97Å; L290-A293 WeakPolarHBondContact O-CB 3.17Å; L290-A293 PolarHBondContact O-N 2.93Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.18Å
291L82.3Confident79.3Confident10 Ų1076.7 Ų76.75%0.05238%0.381CS..Hα-helixtrans-60.5-38.7176.8-68.7175.6000111.8L261 P262 V265 V287 L288 L294 R295L261-L291 HydrophobicContact CD2-CD2 3.5Å; L261-L291 VanDerWaalsContact CD2-CD2 3.5Å; P262-L291 HydrophobicContact CB-CB 4.26Å; P262-L291 WeakPolarHBondContact CB-O 3.23Å; P262-L291 WeakPolarHBondContact CG-O 3.45Å; V265-L291 HydrophobicContact CB-CD1 3.87Å; V265-L291 HydrophobicContact CG1-CD1 3.47Å; V265-L291 VanDerWaalsContact CG1-CD1 3.47Å; V287-L291 HydrophobicContact CG1-CD1 4.05Å; V287-L291 HydrophobicContact CG1-CG 4.2Å; V287-L291 VanDerWaalsContact O-CG 3.25Å; V287-L291 WeakPolarHBondContact O-CG 3.44Å; V287-L291 PolarHBondContact O-N 3.31Å; L288-L291 HydrophobicContact CD2-CD1 4.38Å; L288-L291 PolarHBondContact O-N 3.39Å; L291-L294 HydrophobicContact CD2-CD1 4.03Å; L291-L294 WeakPolarHBondContact O-CB 3.31Å; L291-L294 PolarHBondContact O-N 2.94Å; L291-R295 PolarHBondContact O-N 3.24Å
292R79.9Confident80.2Confident111 Ų11175.4 Ų75.442%0.41937%0.374SS..Hα-helixtrans-60.8-44171.9-72.3178.2-166.2-167.1-5111.5E207 L288 R289 L290 L294 R295E207-R292 IonicContact OE1-CZ 3.78Å; E207-R292 IonicContact OE1-NH1 3.07Å; E207-R292 IonicContact OE1-NH2 3.63Å; E207-R292 PolarHBondContact OE1-NH2 2.92Å; L288-R292 WeakPolarHBondContact O-CG 3.48Å; L288-R292 PolarHBondContact O-N 3.12Å; R289-R292 PolarHBondContact O-N 3.3Å; L290-R292 VanDerWaalsContact C-N 3.3Å; L290-R292 PolarHBondContact O-N 2.97Å; R292-L294 VanDerWaalsContact C-N 3.32Å; R292-L294 PolarHBondContact O-N 2.86Å; R292-R295 VanDerWaalsContact O-CB 3.25Å; R292-R295 WeakPolarHBondContact O-CB 3.44Å; R292-R295 WeakPolarHBondContact O-CG 3.25Å; R292-R295 PolarHBondContact O-N 3.08Å; R292-R295 VanDerWaalsContact O-N 3.16Å
293A82Confident81.2Confident61 Ų6168 Ų6850%0.50434%0.341SS..Hα-helixtrans-63.7-37.3176.500000112.3R289 L290 R295 V296R289-A293 PolarHBondContact O-N 3.26Å; R289-A293 VanDerWaalsContact O-N 3.15Å; L290-A293 WeakPolarHBondContact O-CB 3.17Å; L290-A293 PolarHBondContact O-N 2.93Å; A293-R295 PolarHBondContact O-N 3.32Å; A293-R295 VanDerWaalsContact O-N 3.11Å; A293-V296 WeakPolarHBondContact O-CB 3.42Å; A293-V296 WeakPolarHBondContact O-CG1 3.47Å; A293-V296 PolarHBondContact O-N 3.45Å; A293-V296 VanDerWaalsContact O-N 3.09Å
294L85.3Confident81.9Confident47 Ų4759.4 Ų59.425%0.24631%0.309CS..Hα-helixtrans-61.4-17.8175.9-68.6178.3000113.5P262 L290 L291 R292 V296 L297P262-L294 HydrophobicContact CG-CB 3.72Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.18Å; L291-L294 HydrophobicContact CD2-CD1 4.03Å; L291-L294 WeakPolarHBondContact O-CB 3.31Å; L291-L294 PolarHBondContact O-N 2.94Å; R292-L294 VanDerWaalsContact C-N 3.32Å; R292-L294 PolarHBondContact O-N 2.86Å; L294-V296 PolarHBondContact O-N 3.46Å; L294-V296 VanDerWaalsContact O-N 3.16Å; L294-L297 HydrophobicContact CB-CD1 4.38Å; L294-L297 HydrophobicContact CD2-CD1 3.74Å; L294-L297 WeakPolarHBondContact O-CB 3.5Å; L294-L297 VanDerWaalsContact O-CG 3.3Å; L294-L297 WeakPolarHBondContact O-CG 3.23Å; L294-L297 PolarHBondContact O-N 3.27Å
295R84.1Confident82.4Confident50 Ų5061.6 Ų61.619%0.18932%0.317CS..THydrogen-bonded Turntrans-59.9-23.2173.1-61.5179.3-179-157.9-10.9112.7L195 E223 P262 L291 R292 A293 L297 Y298L195-R295 HydrophobicContact CD1-CB 3.79Å; E223-R295 VanDerWaalsContact CD-NH1 3.34Å; E223-R295 IonicContact OE1-CZ 2.72Å; E223-R295 IonicContact OE1-NE 3.67Å; E223-R295 PolarHBondContact OE1-NE 3.46Å; E223-R295 IonicContact OE1-NH1 3.6Å; E223-R295 PolarHBondContact OE1-NH1 3.4Å; E223-R295 IonicContact OE1-NH2 2.84Å; E223-R295 PolarHBondContact OE1-NH2 2.94Å; E223-R295 IonicContact OE2-CZ 3.26Å; E223-R295 VanDerWaalsContact OE2-CZ 3.27Å; E223-R295 IonicContact OE2-NH1 2.93Å; E223-R295 PolarHBondContact OE2-NH1 3.31Å; E223-R295 IonicContact OE2-NH2 3.46Å; E223-R295 PolarHBondContact OE2-NH2 3.38Å; P262-R295 HydrophobicContact CB-CG 4.15Å; P262-R295 HydrophobicContact CG-CG 4.5Å; L291-R295 PolarHBondContact O-N 3.24Å; R292-R295 VanDerWaalsContact O-CB 3.25Å; R292-R295 WeakPolarHBondContact O-CB 3.44Å; R292-R295 WeakPolarHBondContact O-CG 3.25Å; R292-R295 PolarHBondContact O-N 3.08Å; R292-R295 VanDerWaalsContact O-N 3.16Å; A293-R295 PolarHBondContact O-N 3.32Å; A293-R295 VanDerWaalsContact O-N 3.11Å; R295-L297 PolarHBondContact O-N 3.24Å; R295-Y298 HydrophobicContact CB-CD1 4.45Å; R295-Y298 HydrophobicContact CB-CE1 4.23Å; R295-Y298 HydrophobicContact CG-CE1 4.33Å; R295-Y298 VanDerWaalsContact O-CB 3.22Å; R295-Y298 WeakPolarHBondContact O-CB 3.38Å; R295-Y298 WeakPolarHBondContact O-CD1 3.12Å; R295-Y298 PolarHBondContact O-N 3.4Å
296V85.3Confident82.9Confident85 Ų8562.3 Ų62.352%0.51532%0.318SS..THydrogen-bonded Turntrans-60.2-26.4172.5800000112.4L195 A293 L294 Y298 V299L195-V296 HydrophobicContact CD2-CB 4.28Å; L195-V296 HydrophobicContact CD2-CG2 4.4Å; A293-V296 WeakPolarHBondContact O-CB 3.42Å; A293-V296 WeakPolarHBondContact O-CG1 3.47Å; A293-V296 PolarHBondContact O-N 3.45Å; A293-V296 VanDerWaalsContact O-N 3.09Å; L294-V296 PolarHBondContact O-N 3.46Å; L294-V296 VanDerWaalsContact O-N 3.16Å; V296-Y298 PolarHBondContact O-N 3.39Å; V296-Y298 VanDerWaalsContact O-N 3.11Å; V296-V299 PolarHBondContact O-N 3.17Å
297L86Confident83.3Confident45 Ų4557.7 Ų57.724%0.23629%0.294CS..Hα-helixtrans-64.6-14.5176.3-59.5178.8000112.7L258 L294 R295 V299 M300L258-L297 HydrophobicContact CB-CD1 3.83Å; L258-L297 HydrophobicContact CD1-CD1 4.36Å; L294-L297 HydrophobicContact CB-CD1 4.38Å; L294-L297 HydrophobicContact CD2-CD1 3.74Å; L294-L297 WeakPolarHBondContact O-CB 3.5Å; L294-L297 VanDerWaalsContact O-CG 3.3Å; L294-L297 WeakPolarHBondContact O-CG 3.23Å; L294-L297 PolarHBondContact O-N 3.27Å; R295-L297 PolarHBondContact O-N 3.24Å; L297-V299 PolarHBondContact O-N 3.06Å; L297-M300 HydrophobicContact CD2-CG 4.4Å; L297-M300 VanDerWaalsContact O-CB 3.32Å; L297-M300 WeakPolarHBondContact O-CB 3.33Å; L297-M300 PolarHBondContact O-N 3.47Å
298Y86Confident83.4Confident11 Ų1155 Ų554%0.04328%0.282CS..Hα-helixtrans-63.2-38.1177.3-70.230.2000109.8T191 V227 F230 A259 P262 R295 V296 M300 R301T191-Y298 HydrophobicContact CG2-CD2 4.3Å; V227-Y298 HydrophobicContact CG2-CE2 4.13Å; F230-Y298 HydrophobicContact CE2-CD2 4.38Å; A259-Y298 HydrophobicContact CB-CD1 3.63Å; A259-Y298 HydrophobicContact CB-CE1 4.01Å; A259-Y298 HydrophobicContact CB-CG 4.32Å; A259-Y298 WeakPolarHBondContact O-CE1 3.44Å; A259-Y298 PolarHBondContact O-OH 2.86Å; P262-Y298 HydrophobicContact CG-CE1 4.41Å; R295-Y298 HydrophobicContact CB-CD1 4.45Å; R295-Y298 HydrophobicContact CB-CE1 4.23Å; R295-Y298 HydrophobicContact CG-CE1 4.33Å; R295-Y298 VanDerWaalsContact O-CB 3.22Å; R295-Y298 WeakPolarHBondContact O-CB 3.38Å; R295-Y298 WeakPolarHBondContact O-CD1 3.12Å; R295-Y298 PolarHBondContact O-N 3.4Å; V296-Y298 PolarHBondContact O-N 3.39Å; V296-Y298 VanDerWaalsContact O-N 3.11Å; Y298-M300 VanDerWaalsContact C-N 3.25Å; Y298-M300 PolarHBondContact O-N 3.08Å; Y298-R301 VanDerWaalsContact O-CB 3.27Å; Y298-R301 WeakPolarHBondContact O-CB 3.4Å; Y298-R301 WeakPolarHBondContact O-CG 3.45Å; Y298-R301 PolarHBondContact O-N 3.06Å; Y298-R301 VanDerWaalsContact O-N 3.13Å
299V86.7Confident83.9Confident57 Ų5755.9 Ų55.935%0.34529%0.287SS..Hα-helixtrans-63.8-33.8176.2-176.60000110.9A192 V296 L297 R301 L302A192-V299 HydrophobicContact CB-CG2 3.98Å; V296-V299 PolarHBondContact O-N 3.17Å; L297-V299 PolarHBondContact O-N 3.06Å; V299-R301 PolarHBondContact O-N 3.42Å; V299-R301 VanDerWaalsContact O-N 3.13Å; V299-L302 WeakPolarHBondContact O-CB 3.4Å; V299-L302 PolarHBondContact O-N 3.45Å
300M85.9Confident84.2Confident90 Ų9052.1 Ų52.144%0.44327%0.273SS..Hα-helixtrans-64.2-18.1177.9-61.7-57.6-65.900112.9I255 L297 Y298 L302 A303I255-M300 HydrophobicContact CG2-CB 3.81Å; L297-M300 HydrophobicContact CD2-CG 4.4Å; L297-M300 VanDerWaalsContact O-CB 3.32Å; L297-M300 WeakPolarHBondContact O-CB 3.33Å; L297-M300 PolarHBondContact O-N 3.47Å; Y298-M300 VanDerWaalsContact C-N 3.25Å; Y298-M300 PolarHBondContact O-N 3.08Å; M300-L302 PolarHBondContact O-N 3.34Å; M300-A303 WeakPolarHBondContact O-CB 3.49Å; M300-A303 PolarHBondContact O-N 3.02Å
301R84.3Confident84.3Confident7 Ų746.9 Ų46.93%0.02625%0.245CC..G310 helixtrans-62.5-20.2171.1-60.3-170.269.3-130-2.7112.8V188 E233 I255 D256 A259 Y298 V299 A303 R304V188-R301 HydrophobicContact CG2-CB 4.31Å; E233-R301 IonicContact OE2-CZ 3.66Å; E233-R301 IonicContact OE2-NH2 3.59Å; E233-R301 PolarHBondContact OE2-NH2 3.03Å; I255-R301 HydrophobicContact CG2-CG 4.4Å; D256-R301 WeakPolarHBondContact OD1-CG 3.5Å; D256-R301 IonicContact OD1-CZ 3.99Å; D256-R301 IonicContact OD1-NE 3.93Å; D256-R301 PolarHBondContact OD1-NE 3.43Å; D256-R301 IonicContact OD1-NH2 2.99Å; D256-R301 IonicContact OD2-NH2 3.62Å; A259-R301 HydrophobicContact CB-CG 4.22Å; Y298-R301 VanDerWaalsContact O-CB 3.27Å; Y298-R301 WeakPolarHBondContact O-CB 3.4Å; Y298-R301 WeakPolarHBondContact O-CG 3.45Å; Y298-R301 PolarHBondContact O-N 3.06Å; Y298-R301 VanDerWaalsContact O-N 3.13Å; V299-R301 PolarHBondContact O-N 3.42Å; V299-R301 VanDerWaalsContact O-N 3.13Å; R301-A303 PolarHBondContact O-N 3.31Å; R301-A303 VanDerWaalsContact O-N 3.13Å; R301-R304 WeakPolarHBondContact O-CB 3.49Å; R301-R304 PolarHBondContact O-N 3.22Å
302L85.3Confident84.5Confident61 Ų6150.3 Ų50.332%0.31926%0.263SS..G310 helixtrans-58.3-23.9170.1-169.364.9000112.1V185 V188 V299 M300 R304 H305 S306 L309V185-L302 HydrophobicContact CG1-CD1 4.44Å; V188-L302 HydrophobicContact CG1-CB 4.32Å; V299-L302 WeakPolarHBondContact O-CB 3.4Å; V299-L302 PolarHBondContact O-N 3.45Å; M300-L302 PolarHBondContact O-N 3.34Å; L302-R304 PolarHBondContact O-N 3.13Å; L302-H305 HydrophobicContact CD1-CB 4.5Å; L302-H305 CarbonylContact O-C 3.45Å; L302-H305 PolarHBondContact O-N 3.5Å; L302-S306 PolarHBondContact O-N 2.84Å; L302-L309 HydrophobicContact CB-CD1 4.04Å; L302-L309 HydrophobicContact CD2-CD1 4.15Å; L302-L309 HydrophobicContact CG-CD1 4.02Å
303A85.3Confident84.8Confident9 Ų947.2 Ų47.27%0.07427%0.266CS..G310 helixtrans-58.6-26.7172.800000112.6L252 M300 R301 H305 L309 R310L252-A303 HydrophobicContact CD2-CB 4.26Å; M300-A303 WeakPolarHBondContact O-CB 3.49Å; M300-A303 PolarHBondContact O-N 3.02Å; R301-A303 PolarHBondContact O-N 3.31Å; R301-A303 VanDerWaalsContact O-N 3.13Å; A303-H305 VanDerWaalsContact C-N 3.27Å; A303-H305 PolarHBondContact O-N 3.14Å; A303-L309 HydrophobicContact CB-CB 3.91Å; A303-L309 HydrophobicContact CB-CD1 4.39Å; A303-R310 WeakPolarHBondContact O-CG 3.46Å; A303-R310 PolarHBondContact O-NE 3.45Å; A303-R310 VanDerWaalsContact O-NE 3.13Å
304R82.9Confident84.9Confident32 Ų3247.1 Ų47.112%0.12126%0.256CS..G310 helixtrans-69.6-25.3172.1-174.5177.5-65.7-79.21112.2N253 D256 R301 L302 R310N253-R304 PolarHBondContact OD1-NH2 3.3Å; D256-R304 IonicContact OD2-CZ 2.74Å; D256-R304 IonicContact OD2-NE 3.41Å; D256-R304 PolarHBondContact OD2-NE 3.48Å; D256-R304 IonicContact OD2-NH2 3.82Å; D256-R304 PolarHBondContact OD2-NH2 3.07Å; R301-R304 WeakPolarHBondContact O-CB 3.49Å; R301-R304 PolarHBondContact O-N 3.22Å; L302-R304 PolarHBondContact O-N 3.13Å; R304-R310 VanDerWaalsContact O-CZ 3.22Å; R304-R310 PolarHBondContact O-NE 3.04Å; R304-R310 PolarHBondContact O-NH2 3.21Å
305H82.9Confident85Confident58 Ų5845 Ų4527%0.26925%0.246SC..THydrogen-bonded Turntrans-105.7-13-176.1-61.5-78.2000113V185 L302 A303V185-H305 HydrophobicContact CG2-CB 3.62Å; L302-H305 HydrophobicContact CD1-CB 4.5Å; L302-H305 CarbonylContact O-C 3.45Å; L302-H305 PolarHBondContact O-N 3.5Å; A303-H305 VanDerWaalsContact C-N 3.27Å; A303-H305 PolarHBondContact O-N 3.14Å
306S86.1Confident85.1Confident39 Ų3946.4 Ų46.427%0.27326%0.259SS..  trans-108.2116.4-179.7175.40000112L302 G308 L309 R310L302-S306 PolarHBondContact O-N 2.84Å; S306-G308 PolarHBondContact O-N 3.15Å; S306-G308 PolarHBondContact OG-N 2.68Å; S306-L309 PolarHBondContact O-N 3.21Å; S306-L309 PolarHBondContact OG-N 3.02Å; S306-R310 WeakPolarHBondContact O-CG 3.4Å; S306-R310 PolarHBondContact O-N 2.7Å; S306-R310 VanDerWaalsContact O-N 3.17Å
307L82.3Confident85.2Confident34 Ų3449.1 Ų49.118%0.17827%0.266CS..Hα-helixtrans-56.9-38.5169.3-169.675.7000111.2R310 S311 Y413 L416 K417 Q420L307-R310 PolarHBondContact O-N 3.17Å; L307-S311 WeakPolarHBondContact O-CB 3.49Å; L307-S311 PolarHBondContact O-N 2.92Å; L307-Y413 HydrophobicContact CD2-CE2 4.01Å; L307-L416 HydrophobicContact CD1-CB 3.88Å; L307-L416 HydrophobicContact CG-CB 4.41Å; L307-K417 HydrophobicContact CD2-CB 4.17Å; L307-Q420 VanDerWaalsContact CD1-OE1 3.29Å
308G83.3Confident85.3Confident21 Ų2153.2 Ų53.222%0.21628%0.279CS..Hα-helixtrans-61.5-47.1179.500000112.2S306 R310 S311 L312S306-G308 PolarHBondContact O-N 3.15Å; S306-G308 PolarHBondContact OG-N 2.68Å; G308-R310 PolarHBondContact O-N 2.89Å; G308-S311 WeakPolarHBondContact O-CB 3.38Å; G308-S311 PolarHBondContact O-N 3.47Å; G308-L312 WeakPolarHBondContact O-CG 3.38Å; G308-L312 PolarHBondContact O-N 3.26Å
309L85.4Confident85.5Confident57 Ų5752.7 Ų52.730%0.29828%0.277SS..Hα-helixtrans-66.5-37177.6-76.7169.2000112.5L302 A303 S306 L312 G313L302-L309 HydrophobicContact CB-CD1 4.04Å; L302-L309 HydrophobicContact CD2-CD1 4.15Å; L302-L309 HydrophobicContact CG-CD1 4.02Å; A303-L309 HydrophobicContact CB-CB 3.91Å; A303-L309 HydrophobicContact CB-CD1 4.39Å; S306-L309 PolarHBondContact O-N 3.21Å; S306-L309 PolarHBondContact OG-N 3.02Å; L309-L312 HydrophobicContact CD2-CD1 4.3Å; L309-L312 PolarHBondContact O-N 3.15Å; L309-G313 PolarHBondContact O-N 3.13Å
310R85Confident85.6Confident99 Ų9952.7 Ų52.737%0.37428%0.283SS..Hα-helixtrans-63.6-43.1172.9-65.2171.7178.2-166.9-7.9111.5A303 R304 S306 L307 G308 G313 L314A303-R310 WeakPolarHBondContact O-CG 3.46Å; A303-R310 PolarHBondContact O-NE 3.45Å; A303-R310 VanDerWaalsContact O-NE 3.13Å; R304-R310 VanDerWaalsContact O-CZ 3.22Å; R304-R310 PolarHBondContact O-NE 3.04Å; R304-R310 PolarHBondContact O-NH2 3.21Å; S306-R310 WeakPolarHBondContact O-CG 3.4Å; S306-R310 PolarHBondContact O-N 2.7Å; S306-R310 VanDerWaalsContact O-N 3.17Å; L307-R310 PolarHBondContact O-N 3.17Å; G308-R310 PolarHBondContact O-N 2.89Å; R310-G313 PolarHBondContact O-N 3.43Å; R310-L314 PolarHBondContact O-N 3.22Å
311S83.3Confident85.8Confident0 Ų058.2 Ų58.20%030%0.299CS..Hα-helixtrans-61.5-43.8175.2-1760000111.2L307 G308 G313 L314 T315 Y413L307-S311 WeakPolarHBondContact O-CB 3.49Å; L307-S311 PolarHBondContact O-N 2.92Å; G308-S311 WeakPolarHBondContact O-CB 3.38Å; G308-S311 PolarHBondContact O-N 3.47Å; S311-G313 PolarHBondContact O-N 2.74Å; S311-L314 PolarHBondContact O-N 2.98Å; S311-T315 VanDerWaalsContact O-CB 3.31Å; S311-T315 WeakPolarHBondContact O-CB 3.35Å; S311-T315 WeakPolarHBondContact O-CG2 3.21Å; S311-T315 PolarHBondContact O-N 2.95Å; S311-T315 PolarHBondContact O-OG1 3.39Å; S311-Y413 VanDerWaalsContact OG-CA 3.28Å; S311-Y413 WeakPolarHBondContact OG-CA 3.48Å; S311-Y413 WeakPolarHBondContact OG-CB 3.2Å; S311-Y413 PolarHBondContact OG-N 2.99Å
312L87.3Confident86.1Confident83 Ų8360.5 Ų60.544%0.43531%0.309SS..Hα-helixtrans-58.4-46.1174.1-73.5171000112G308 L309 L314 T315 V316 F409G308-L312 WeakPolarHBondContact O-CG 3.38Å; G308-L312 PolarHBondContact O-N 3.26Å; L309-L312 HydrophobicContact CD2-CD1 4.3Å; L309-L312 PolarHBondContact O-N 3.15Å; L312-L314 PolarHBondContact O-N 3.35Å; L312-T315 VanDerWaalsContact C-OG1 3.32Å; L312-T315 WeakPolarHBondContact CA-OG1 3.23Å; L312-T315 PolarHBondContact O-N 3.47Å; L312-T315 PolarHBondContact O-OG1 3.46Å; L312-V316 WeakPolarHBondContact O-CG2 3.31Å; L312-V316 PolarHBondContact O-N 2.79Å; L312-F409 HydrophobicContact CD2-CD2 3.68Å; L312-F409 HydrophobicContact CD2-CE2 3.54Å; L312-F409 HydrophobicContact CD2-CZ 4.35Å; L312-F409 HydrophobicContact CG-CD2 4.29Å; L312-F409 HydrophobicContact CG-CE2 3.76Å
313G85.8Confident86.3Confident46 Ų4661.3 Ų61.347%0.47431%0.311SS..Hα-helixtrans-61.3-46.1176.800000113.1L309 R310 S311 T315 V316 Q317L309-G313 PolarHBondContact O-N 3.13Å; R310-G313 PolarHBondContact O-N 3.43Å; S311-G313 PolarHBondContact O-N 2.74Å; G313-T315 VanDerWaalsContact C-N 3.27Å; G313-T315 PolarHBondContact O-N 2.84Å; G313-V316 PolarHBondContact O-N 3.45Å; G313-Q317 PolarHBondContact O-N 3.37Å; G313-Q317 VanDerWaalsContact O-N 3.09Å
314L84.3Confident86.6Confident58 Ų5862.8 Ų62.830%0.30433%0.327SS..Hα-helixtrans-65.7-31.7177.7-76.1167.1000112.6R310 S311 L312 Q317 R318 L416R310-L314 PolarHBondContact O-N 3.22Å; S311-L314 PolarHBondContact O-N 2.98Å; L312-L314 PolarHBondContact O-N 3.35Å; L314-Q317 PolarHBondContact O-N 3.29Å; L314-R318 WeakPolarHBondContact O-CB 3.38Å; L314-R318 VanDerWaalsContact O-CG 3.25Å; L314-R318 WeakPolarHBondContact O-CG 3.49Å; L314-R318 PolarHBondContact O-N 3.08Å; L314-L416 HydrophobicContact CD1-CD1 3.72Å; L314-L416 HydrophobicContact CD1-CD2 3.85Å; L314-L416 HydrophobicContact CD1-CG 4.21Å
315T87.3Confident87Confident4 Ų464.4 Ų64.43%0.02534%0.337CS..Hα-helixtrans-77.9-37.5-179.248.10000111.7S311 L312 G313 Q317 R318 C319 F409 S412S311-T315 VanDerWaalsContact O-CB 3.31Å; S311-T315 WeakPolarHBondContact O-CB 3.35Å; S311-T315 WeakPolarHBondContact O-CG2 3.21Å; S311-T315 PolarHBondContact O-N 2.95Å; S311-T315 PolarHBondContact O-OG1 3.39Å; L312-T315 VanDerWaalsContact C-OG1 3.32Å; L312-T315 WeakPolarHBondContact CA-OG1 3.23Å; L312-T315 PolarHBondContact O-N 3.47Å; L312-T315 PolarHBondContact O-OG1 3.46Å; G313-T315 VanDerWaalsContact C-N 3.27Å; G313-T315 PolarHBondContact O-N 2.84Å; T315-Q317 VanDerWaalsContact C-N 3.28Å; T315-Q317 PolarHBondContact O-N 2.74Å; T315-R318 PolarHBondContact O-N 3.27Å; T315-C319 VanDerWaalsContact O-CB 3.24Å; T315-C319 WeakPolarHBondContact O-CB 3.04Å; T315-C319 PolarHBondContact O-N 2.86Å; T315-F409 VanDerWaalsContact CG2-CA 3.42Å; T315-F409 HydrophobicContact CG2-CB 4.16Å; T315-F409 HydrophobicContact CG2-CD2 4.1Å; T315-S412 VanDerWaalsContact CG2-OG 3.23Å; T315-S412 WeakPolarHBondContact CG2-OG 3.43Å
316V87.1Confident87.4Confident78 Ų7862.8 Ų62.847%0.47333%0.33SS..Hα-helixtrans-57.9-43.9167.1171.60000110.7L312 G313 C319 A320 F323L312-V316 WeakPolarHBondContact O-CG2 3.31Å; L312-V316 PolarHBondContact O-N 2.79Å; G313-V316 PolarHBondContact O-N 3.45Å; V316-C319 CarbonylContact O-C 3.59Å; V316-A320 WeakPolarHBondContact O-CA 3.36Å; V316-A320 PolarHBondContact O-N 3.28Å; V316-F323 HydrophobicContact CG2-CE2 4.15Å; V316-F323 HydrophobicContact CG2-CZ 4.44Å
317Q87.9Confident87.7Confident143 Ų14366 Ų6667%0.66834%0.344SS*.Hα-helixtrans-62.9-44.4177.3-172.5-177.55.900112.2G313 L314 T315G313-Q317 PolarHBondContact O-N 3.37Å; G313-Q317 VanDerWaalsContact O-N 3.09Å; L314-Q317 PolarHBondContact O-N 3.29Å; T315-Q317 VanDerWaalsContact C-N 3.28Å; T315-Q317 PolarHBondContact O-N 2.74Å
318R87.5Confident88.2Confident131 Ų13169 Ų6949%0.49436%0.36SS..Hα-helixtrans-71-35.9-179.8-72.2170.1177.7-167.8-6.3112.7L314 T315 T408 S412 E415L314-R318 WeakPolarHBondContact O-CB 3.38Å; L314-R318 VanDerWaalsContact O-CG 3.25Å; L314-R318 WeakPolarHBondContact O-CG 3.49Å; L314-R318 PolarHBondContact O-N 3.08Å; T315-R318 PolarHBondContact O-N 3.27Å; R318-T408 HydrophobicContact CB-CG2 4Å; R318-S412 PolarHBondContact NH1-OG 3.4Å; R318-E415 IonicContact CZ-OE2 3.99Å; R318-E415 IonicContact NH1-OE2 3.52Å; R318-E415 PolarHBondContact NH1-OE2 2.87Å; R318-E415 IonicContact NH2-OE2 3.89Å; R318-E415 PolarHBondContact NH2-OE2 3.46Å
319C89.9Confident88.6Confident0 Ų072.4 Ų72.40%037%0.369CS..THydrogen-bonded Turntrans-94.813.7178.2-72.10000113.4T315 V316 R321 E322 F323 I405 T408T315-C319 VanDerWaalsContact O-CB 3.24Å; T315-C319 WeakPolarHBondContact O-CB 3.04Å; T315-C319 PolarHBondContact O-N 2.86Å; V316-C319 CarbonylContact O-C 3.59Å; C319-R321 PolarHBondContact O-N 3.36Å; C319-R321 VanDerWaalsContact O-N 3.08Å; C319-E322 HydrophobicContact CB-CB 4.25Å; C319-E322 WeakPolarHBondContact O-CA 3.4Å; C319-E322 WeakPolarHBondContact O-CB 3.45Å; C319-E322 PolarHBondContact O-N 3.11Å; C319-E322 PolarHBondContact SG-OE2 3.15Å; C319-F323 HydrophobicContact CB-CD2 3.9Å; C319-F323 HydrophobicContact CB-CE2 4.11Å; C319-F323 WeakPolarHBondContact O-CD2 3.46Å; C319-F323 PolarHBondContact O-N 3.25Å; C319-I405 HydrophobicContact CB-CG1 4.25Å; C319-T408 WeakPolarHBondContact SG-CB 3.49Å; C319-T408 WeakPolarHBondContact SG-CG2 3.31Å; C319-T408 PolarHBondContact SG-OG1 3.06Å; C319-T408 VanDerWaalsContact SG-OG1 3.34Å
320A89.4Confident89Confident57 Ų5771 Ų7147%0.47136%0.362SS..Hα-helixtrans-54.9-36.4-175.300000112.3V316 G324V316-A320 WeakPolarHBondContact O-CA 3.36Å; V316-A320 PolarHBondContact O-N 3.28Å; A320-G324 PolarHBondContact O-N 3.4Å
321R89.8Confident89.5Confident206 Ų20669 Ų6978%0.77736%0.362SS*.Hα-helixtrans-66-42.1173.8-178.4-180165-174.7-4112.6C319 G324 L325C319-R321 PolarHBondContact O-N 3.36Å; C319-R321 VanDerWaalsContact O-N 3.08Å; R321-G324 PolarHBondContact O-N 2.95Å; R321-L325 HydrophobicContact CG-CD1 4.43Å; R321-L325 WeakPolarHBondContact O-CG 3.42Å; R321-L325 PolarHBondContact O-N 3.45Å
322E90.8Very high90Very high54 Ų5473.2 Ų73.225%0.25239%0.388SS..Hα-helixtrans-68-42.9179.6-64.2170.7-16400111C319 G324 L325 L326 S404C319-E322 HydrophobicContact CB-CB 4.25Å; C319-E322 WeakPolarHBondContact O-CA 3.4Å; C319-E322 WeakPolarHBondContact O-CB 3.45Å; C319-E322 PolarHBondContact O-N 3.11Å; C319-E322 PolarHBondContact SG-OE2 3.15Å; E322-G324 VanDerWaalsContact C-N 3.34Å; E322-G324 PolarHBondContact O-N 2.83Å; E322-L325 PolarHBondContact O-N 2.92Å; E322-L326 PolarHBondContact O-N 3.09Å; E322-S404 PolarHBondContact OE1-OG 3.23Å; E322-S404 VanDerWaalsContact OE1-OG 3.13Å; E322-S404 VanDerWaalsContact OE2-CB 3.27Å; E322-S404 WeakPolarHBondContact OE2-CB 3.25Å; E322-S404 PolarHBondContact OE2-OG 3.41Å
323F89.4Confident90.3Very high79 Ų7969.6 Ų69.635%0.34637%0.37SS..Hα-helixtrans-60.3-42.3170.6-86.4-75.4000112V316 C319 L325 L326 L327 I405V316-F323 HydrophobicContact CG2-CE2 4.15Å; V316-F323 HydrophobicContact CG2-CZ 4.44Å; C319-F323 HydrophobicContact CB-CD2 3.9Å; C319-F323 HydrophobicContact CB-CE2 4.11Å; C319-F323 WeakPolarHBondContact O-CD2 3.46Å; C319-F323 PolarHBondContact O-N 3.25Å; F323-L325 VanDerWaalsContact C-N 3.35Å; F323-L325 PolarHBondContact O-N 2.94Å; F323-L326 PolarHBondContact O-N 3.21Å; F323-L327 WeakPolarHBondContact O-CB 3.44Å; F323-L327 PolarHBondContact O-N 3.18Å; F323-I405 HydrophobicContact CD1-CD1 3.97Å; F323-I405 HydrophobicContact CD2-CD1 4.06Å; F323-I405 HydrophobicContact CD2-CG1 4.22Å; F323-I405 HydrophobicContact CE1-CD1 3.72Å; F323-I405 HydrophobicContact CE2-CD1 3.81Å; F323-I405 HydrophobicContact CE2-CG1 3.88Å; F323-I405 HydrophobicContact CE2-CG2 3.85Å; F323-I405 HydrophobicContact CG-CD1 4.14Å; F323-I405 HydrophobicContact CZ-CD1 3.64Å; F323-I405 HydrophobicContact CZ-CG1 4.12Å; F323-I405 HydrophobicContact CZ-CG2 3.78Å
324G91.4Very high90.7Very high40 Ų4068.7 Ų68.741%0.41235%0.353SS..Hα-helixtrans-61.5-41.2175.500000112.7A320 R321 E322 L328A320-G324 PolarHBondContact O-N 3.4Å; R321-G324 PolarHBondContact O-N 2.95Å; E322-G324 VanDerWaalsContact C-N 3.34Å; E322-G324 PolarHBondContact O-N 2.83Å; G324-L328 VanDerWaalsContact O-CB 3.31Å; G324-L328 WeakPolarHBondContact O-CB 3.47Å; G324-L328 PolarHBondContact O-N 2.8Å
325L90.8Very high91.2Very high66 Ų6668.5 Ų68.535%0.34636%0.36SS..Hα-helixtrans-67.2-41.3175.1-71.2172.3000112.2R321 E322 F323 L328 F329R321-L325 HydrophobicContact CG-CD1 4.43Å; R321-L325 WeakPolarHBondContact O-CG 3.42Å; R321-L325 PolarHBondContact O-N 3.45Å; E322-L325 PolarHBondContact O-N 2.92Å; F323-L325 VanDerWaalsContact C-N 3.35Å; F323-L325 PolarHBondContact O-N 2.94Å; L325-L328 PolarHBondContact O-N 2.95Å; L325-F329 HydrophobicContact CB-CE2 4.49Å; L325-F329 VanDerWaalsContact O-CD2 3.32Å; L325-F329 WeakPolarHBondContact O-CD2 3.49Å; L325-F329 WeakPolarHBondContact O-CG 3.48Å; L325-F329 PolarHBondContact O-N 3.41Å
326L91.5Very high91.6Very high23 Ų2372.9 Ų72.912%0.1238%0.383CS..Hα-helixtrans-58.4-49.4174.7178.966.3000111.2E322 F323 L328 F329 L330 M398 P401E322-L326 PolarHBondContact O-N 3.09Å; F323-L326 PolarHBondContact O-N 3.21Å; L326-L328 VanDerWaalsContact C-N 3.34Å; L326-L328 PolarHBondContact O-N 2.96Å; L326-F329 PolarHBondContact O-N 3.08Å; L326-L330 WeakPolarHBondContact O-CB 3.28Å; L326-L330 PolarHBondContact O-N 3.41Å; L326-M398 HydrophobicContact CD1-CE 4.46Å; L326-M398 HydrophobicContact CD1-SD 3.61Å; L326-M398 HydrophobicContact CG-SD 4.37Å; L326-P401 HydrophobicContact CB-CB 3.88Å; L326-P401 HydrophobicContact CB-CG 4.07Å; L326-P401 HydrophobicContact CD1-CB 3.91Å; L326-P401 HydrophobicContact CD1-CG 3.74Å; L326-P401 HydrophobicContact CD2-CB 4.39Å; L326-P401 HydrophobicContact CG-CB 4.28Å; L326-P401 HydrophobicContact CG-CG 4.46Å
327L92.3Very high92Very high108 Ų10870.2 Ų70.257%0.56537%0.365SS*.Hα-helixtrans-63.1-41178-176.762.9000111.5F323 L330 C331F323-L327 WeakPolarHBondContact O-CB 3.44Å; F323-L327 PolarHBondContact O-N 3.18Å; L327-L330 PolarHBondContact O-N 3.36Å; L327-C331 WeakPolarHBondContact O-CB 3.35Å; L327-C331 PolarHBondContact O-N 3.39Å; L327-C331 PolarHBondContact O-SG 2.77Å
328L93.1Very high92.3Very high97 Ų9763.4 Ų63.451%0.50833%0.333SS..Hα-helixtrans-59.7-49.3176.317966000111.6G324 L325 L326 L330 C331 V332G324-L328 VanDerWaalsContact O-CB 3.31Å; G324-L328 WeakPolarHBondContact O-CB 3.47Å; G324-L328 PolarHBondContact O-N 2.8Å; L325-L328 PolarHBondContact O-N 2.95Å; L326-L328 VanDerWaalsContact C-N 3.34Å; L326-L328 PolarHBondContact O-N 2.96Å; L328-L330 VanDerWaalsContact C-N 3.35Å; L328-L330 PolarHBondContact O-N 3.32Å; L328-C331 PolarHBondContact O-N 3.47Å; L328-V332 HydrophobicContact CD1-CG2 4.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.36Å; L328-V332 PolarHBondContact O-N 3.16Å
329F92.3Very high92.7Very high92 Ų9259.3 Ų59.340%0.40432%0.324SS..Hα-helixtrans-64.9-39.1179-66.9-34.6000112.5L325 L326 V332 A333 L397L325-F329 HydrophobicContact CB-CE2 4.49Å; L325-F329 VanDerWaalsContact O-CD2 3.32Å; L325-F329 WeakPolarHBondContact O-CD2 3.49Å; L325-F329 WeakPolarHBondContact O-CG 3.48Å; L325-F329 PolarHBondContact O-N 3.41Å; L326-F329 PolarHBondContact O-N 3.08Å; F329-V332 PolarHBondContact O-N 3.13Å; F329-A333 VanDerWaalsContact O-CB 3.3Å; F329-A333 WeakPolarHBondContact O-CB 3.41Å; F329-A333 PolarHBondContact O-N 3.01Å; F329-L397 HydrophobicContact CB-CD1 4.49Å; F329-L397 HydrophobicContact CB-CD2 4.16Å; F329-L397 HydrophobicContact CG-CD2 4.38Å
330L93.1Very high92.9Very high28 Ų2863.1 Ų63.115%0.14734%0.343CS..Hα-helixtrans-61.2-46.5173.4-172.766.9000110.8L326 L327 L328 V332 A333 M334 M368L326-L330 WeakPolarHBondContact O-CB 3.28Å; L326-L330 PolarHBondContact O-N 3.41Å; L327-L330 PolarHBondContact O-N 3.36Å; L328-L330 VanDerWaalsContact C-N 3.35Å; L328-L330 PolarHBondContact O-N 3.32Å; L330-V332 PolarHBondContact O-N 3.49Å; L330-A333 PolarHBondContact O-N 3.24Å; L330-M334 HydrophobicContact CG-CE 4.09Å; L330-M334 HydrophobicContact CG-SD 4.36Å; L330-M334 WeakPolarHBondContact O-CB 3.48Å; L330-M334 VanDerWaalsContact O-CG 3.23Å; L330-M334 WeakPolarHBondContact O-CG 3.37Å; L330-M334 PolarHBondContact O-N 3.4Å; L330-M368 HydrophobicContact CD1-CB 4.2Å; L330-M368 HydrophobicContact CD1-CE 3.92Å; L330-M368 HydrophobicContact CD1-SD 4.07Å
331C94.6Very high93.1Very high57 Ų5760.4 Ų60.439%0.38532%0.321SS..Hα-helixtrans-60-45.3176.9-73.70000113L327 L328 M334 A335L327-C331 WeakPolarHBondContact O-CB 3.35Å; L327-C331 PolarHBondContact O-N 3.39Å; L327-C331 PolarHBondContact O-SG 2.77Å; L328-C331 PolarHBondContact O-N 3.47Å; C331-M334 HydrophobicContact CB-CE 4.36Å; C331-M334 PolarHBondContact O-N 2.87Å; C331-A335 WeakPolarHBondContact O-CB 3.36Å; C331-A335 PolarHBondContact O-N 2.84Å
332V94.9Very high93.2Very high88 Ų8851.5 Ų51.553%0.53329%0.288SS..Hα-helixtrans-62.5-45.5177.5170.50000111L328 F329 L330 A335 L336L328-V332 HydrophobicContact CD1-CG2 4.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.36Å; L328-V332 PolarHBondContact O-N 3.16Å; F329-V332 PolarHBondContact O-N 3.13Å; L330-V332 PolarHBondContact O-N 3.49Å; V332-A335 PolarHBondContact O-N 3.49Å; V332-L336 PolarHBondContact O-N 3.27Å; V332-L336 VanDerWaalsContact O-N 3.08Å
333A93.8Very high93.2Very high7 Ų753.6 Ų53.66%0.05830%0.3CS..Hα-helixtrans-66.3-40.9179.400000112.3F329 L330 L336 F337 M368 L397F329-A333 VanDerWaalsContact O-CB 3.3Å; F329-A333 WeakPolarHBondContact O-CB 3.41Å; F329-A333 PolarHBondContact O-N 3.01Å; L330-A333 PolarHBondContact O-N 3.24Å; A333-L336 PolarHBondContact O-N 3.04Å; A333-L336 VanDerWaalsContact O-N 3.17Å; A333-F337 HydrophobicContact CB-CD2 4.2Å; A333-F337 HydrophobicContact CB-CE2 4.28Å; A333-F337 WeakPolarHBondContact O-CD2 3.49Å; A333-F337 PolarHBondContact O-N 3.29Å; A333-M368 HydrophobicContact CB-CE 3.24Å; A333-M368 HydrophobicContact CB-SD 3.8Å; A333-L397 HydrophobicContact CB-CD1 3.85Å
334M94.2Very high93.3Very high27 Ų2750.2 Ų50.213%0.13329%0.287CS..Hα-helixtrans-60.5-45.3172.9-72.2-174.7-63.600112L330 C331 L336 A338 Y361 A364 V365 M368L330-M334 HydrophobicContact CG-CE 4.09Å; L330-M334 HydrophobicContact CG-SD 4.36Å; L330-M334 WeakPolarHBondContact O-CB 3.48Å; L330-M334 VanDerWaalsContact O-CG 3.23Å; L330-M334 WeakPolarHBondContact O-CG 3.37Å; L330-M334 PolarHBondContact O-N 3.4Å; C331-M334 HydrophobicContact CB-CE 4.36Å; C331-M334 PolarHBondContact O-N 2.87Å; M334-L336 PolarHBondContact O-N 3.49Å; M334-A338 WeakPolarHBondContact O-CB 3.29Å; M334-A338 PolarHBondContact O-N 3.27Å; M334-Y361 HydrophobicContact CB-CD1 4.17Å; M334-Y361 WeakPolarHBondContact O-CE1 3.48Å; M334-A364 HydrophobicContact CG-CB 4.19Å; M334-V365 HydrophobicContact CE-CG2 4.45Å; M334-V365 HydrophobicContact CG-CG2 4.4Å; M334-V365 HydrophobicContact SD-CB 4.33Å; M334-V365 HydrophobicContact SD-CG2 3.12Å; M334-V365 WeakPolarHBondContact SD-CG2 3.41Å; M334-M368 HydrophobicContact CG-SD 4.29Å
335A95Very high93.2Very high53 Ų5348.7 Ų48.744%0.43827%0.269SS..Hα-helixtrans-62.6-23.7177.200000112.9C331 V332 P339C331-A335 WeakPolarHBondContact O-CB 3.36Å; C331-A335 PolarHBondContact O-N 2.84Å; V332-A335 PolarHBondContact O-N 3.49Å; A335-P339 VanDerWaalsContact O-CD 3.23Å; A335-P339 WeakPolarHBondContact O-CD 3.33Å; A335-P339 VanDerWaalsContact O-CG 3.22Å; A335-P339 WeakPolarHBondContact O-CG 3.48Å
336L95.6Very high92.9Very high96 Ų9653.7 Ų53.750%0.50328%0.284SS..Hα-helixtrans-90-50.9177.7-173.2131.7000112.7V332 A333 M334 L340V332-L336 PolarHBondContact O-N 3.27Å; V332-L336 VanDerWaalsContact O-N 3.08Å; A333-L336 PolarHBondContact O-N 3.04Å; A333-L336 VanDerWaalsContact O-N 3.17Å; M334-L336 PolarHBondContact O-N 3.49Å; L336-L340 HydrophobicContact CD2-CD1 4.07Å; L336-L340 HydrophobicContact CG-CD1 4.45Å; L336-L340 WeakPolarHBondContact O-CD1 3.24Å; L336-L340 VanDerWaalsContact O-CG 3.27Å; L336-L340 WeakPolarHBondContact O-CG 3.23Å
337F94.9Very high92.5Very high22 Ų2259 Ų5910%0.09631%0.308CS..Hα-helixtrans-81.1-31-172.8-68-65.4000113.9A333 L340 V341 V386A333-F337 HydrophobicContact CB-CD2 4.2Å; A333-F337 HydrophobicContact CB-CE2 4.28Å; A333-F337 WeakPolarHBondContact O-CD2 3.49Å; A333-F337 PolarHBondContact O-N 3.29Å; F337-L340 HydrophobicContact CD1-CD1 4.47Å; F337-L340 PolarHBondContact O-N 2.99Å; F337-V341 PolarHBondContact O-N 3.24Å; F337-V386 HydrophobicContact CD1-CG1 4.38Å
338A94.9Very high91.5Very high0 Ų059.6 Ų59.60%031%0.311CS..Hα-helixtrans-67.5-41.5-178.700000113.6M334 L340 V341 H342 S360 Y361 A364M334-A338 WeakPolarHBondContact O-CB 3.29Å; M334-A338 PolarHBondContact O-N 3.27Å; A338-L340 VanDerWaalsContact C-N 3.35Å; A338-V341 WeakPolarHBondContact O-CG1 3.46Å; A338-H342 VanDerWaalsContact O-CB 3.31Å; A338-H342 WeakPolarHBondContact O-CB 3.33Å; A338-H342 PolarHBondContact O-N 3.49Å; A338-H342 VanDerWaalsContact O-N 3.09Å; A338-S360 WeakPolarHBondContact O-CB 3.1Å; A338-Y361 HydrophobicContact CB-CD1 3.34Å; A338-Y361 HydrophobicContact CB-CE1 3.67Å; A338-Y361 HydrophobicContact CB-CG 4.39Å; A338-A364 HydrophobicContact CB-CB 4.12Å
339P94.8Very high90.4Very high46 Ų4656.3 Ų56.330%0.29930%0.3SS..Hα-helixtrans-65.5-36.5171.3-20.231.8000113A335 H342 L343 V357A335-P339 VanDerWaalsContact O-CD 3.23Å; A335-P339 WeakPolarHBondContact O-CD 3.33Å; A335-P339 VanDerWaalsContact O-CG 3.22Å; A335-P339 WeakPolarHBondContact O-CG 3.48Å; P339-H342 PolarHBondContact O-N 3.41Å; P339-L343 WeakPolarHBondContact O-CB 3.47Å; P339-L343 PolarHBondContact O-N 3Å; P339-V357 HydrophobicContact CB-CG1 4.38Å; P339-V357 HydrophobicContact CB-CG2 4.47Å; P339-V357 HydrophobicContact CG-CG1 3.81Å
340L93.7Very high88.8Confident80 Ų8057.4 Ų57.442%0.41933%0.326SS..Hα-helixtrans-64.8-45.4-179.8-72.1173.4000112.1L336 F337 A338 L343 A344 V386L336-L340 HydrophobicContact CD2-CD1 4.07Å; L336-L340 HydrophobicContact CG-CD1 4.45Å; L336-L340 WeakPolarHBondContact O-CD1 3.24Å; L336-L340 VanDerWaalsContact O-CG 3.27Å; L336-L340 WeakPolarHBondContact O-CG 3.23Å; F337-L340 HydrophobicContact CD1-CD1 4.47Å; F337-L340 PolarHBondContact O-N 2.99Å; A338-L340 VanDerWaalsContact C-N 3.35Å; L340-L343 PolarHBondContact O-N 3.28Å; L340-A344 WeakPolarHBondContact O-CB 3.39Å; L340-A344 PolarHBondContact O-N 3.36Å; L340-V386 HydrophobicContact CB-CG1 3.85Å; L340-V386 HydrophobicContact CB-CG2 4.23Å
341V93.6Very high87.4Confident0 Ų062.6 Ų62.60%034%0.344CS..Hα-helixtrans-69.1-37.1176.4750000111.1F337 A338 L343 A344 E345 F354 W363 P378 V386F337-V341 PolarHBondContact O-N 3.24Å; A338-V341 WeakPolarHBondContact O-CG1 3.46Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 3.25Å; V341-A344 PolarHBondContact O-N 2.93Å; V341-E345 HydrophobicContact CG2-CG 4.18Å; V341-E345 WeakPolarHBondContact O-CB 3.17Å; V341-E345 WeakPolarHBondContact O-CG 3.41Å; V341-E345 PolarHBondContact O-N 2.78Å; V341-F354 HydrophobicContact CG1-CD1 4.05Å; V341-F354 HydrophobicContact CG1-CE1 3.83Å; V341-F354 HydrophobicContact CG2-CE1 4.03Å; V341-F354 HydrophobicContact CG2-CZ 4.09Å; V341-W363 HydrophobicContact CB-CE3 4.33Å; V341-W363 HydrophobicContact CB-CH2 4.09Å; V341-W363 HydrophobicContact CB-CZ3 3.78Å; V341-W363 HydrophobicContact CG1-CD2 4.46Å; V341-W363 HydrophobicContact CG1-CE3 3.61Å; V341-W363 HydrophobicContact CG1-CH2 4.26Å; V341-W363 HydrophobicContact CG1-CZ3 3.49Å; V341-W363 VanDerWaalsContact CG1-CZ3 3.49Å; V341-W363 HydrophobicContact CG2-CE3 4.42Å; V341-W363 HydrophobicContact CG2-CH2 3.91Å; V341-W363 HydrophobicContact CG2-CZ2 4.3Å; V341-W363 HydrophobicContact CG2-CZ3 4Å; V341-P378 HydrophobicContact CG2-CB 3.83Å; V341-P378 HydrophobicContact CG2-CG 4.2Å; V341-V386 HydrophobicContact CB-CG1 4.02Å
342H92.6Very high86.2Confident18 Ų1871.1 Ų71.18%0.08337%0.368CS..Hα-helixtrans-60.4-45.8176.2178.166.9000110.7A338 P339 R346 F354 V357A338-H342 VanDerWaalsContact O-CB 3.31Å; A338-H342 WeakPolarHBondContact O-CB 3.33Å; A338-H342 PolarHBondContact O-N 3.49Å; A338-H342 VanDerWaalsContact O-N 3.09Å; P339-H342 PolarHBondContact O-N 3.41Å; H342-R346 PolarHBondContact NE2-NH1 2.84Å; H342-R346 WeakPolarHBondContact O-CB 3.45Å; H342-R346 PolarHBondContact O-N 3.33Å; H342-F354 PolarHBondContact CE1-O 3.15Å; H342-F354 PolarHBondContact ND1-O 3.17Å; H342-V357 HydrophobicContact CB-CG2 4.39Å
343L91.6Very high85.4Confident98 Ų9870 Ų7051%0.51336%0.359SS..Hα-helixtrans-63.6-47.9177-176.967.1000111.3P339 L340 V341 E345 R346 E347P339-L343 WeakPolarHBondContact O-CB 3.47Å; P339-L343 PolarHBondContact O-N 3Å; L340-L343 PolarHBondContact O-N 3.28Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 3.25Å; L343-E345 PolarHBondContact O-N 3.28Å; L343-R346 PolarHBondContact O-N 3.03Å; L343-E347 HydrophobicContact CD1-CG 3.61Å; L343-E347 HydrophobicContact CG-CG 4.33Å; L343-E347 WeakPolarHBondContact O-CB 3.49Å; L343-E347 WeakPolarHBondContact O-CG 3.32Å; L343-E347 PolarHBondContact O-N 2.92Å
344A90.8Very high85Confident9 Ų970 Ų707%0.07436%0.358CS..Hα-helixtrans-59.6-44.7-179.500000112.3L340 V341 L348 P382L340-A344 WeakPolarHBondContact O-CB 3.39Å; L340-A344 PolarHBondContact O-N 3.36Å; V341-A344 PolarHBondContact O-N 2.93Å; A344-L348 WeakPolarHBondContact O-CB 3.36Å; A344-L348 PolarHBondContact O-N 3.34Å; A344-L348 VanDerWaalsContact O-N 3.13Å; A344-P382 HydrophobicContact CB-CB 4.14Å; A344-P382 HydrophobicContact CB-CG 4.23Å
345E89.8Confident84.7Confident7 Ų773 Ų733%0.03338%0.381CS..Hα-helixtrans-79.3-27.6-179.4-67-64.9132.600113.1V341 L343 G349 F354 P378 R379 S380V341-E345 HydrophobicContact CG2-CG 4.18Å; V341-E345 WeakPolarHBondContact O-CB 3.17Å; V341-E345 WeakPolarHBondContact O-CG 3.41Å; V341-E345 PolarHBondContact O-N 2.78Å; L343-E345 PolarHBondContact O-N 3.28Å; E345-G349 WeakPolarHBondContact O-CA 3.09Å; E345-G349 PolarHBondContact O-N 3.44Å; E345-F354 HydrophobicContact CB-CB 4.37Å; E345-F354 HydrophobicContact CB-CD2 3.73Å; E345-F354 HydrophobicContact CB-CE2 4.36Å; E345-F354 HydrophobicContact CB-CG 4.21Å; E345-F354 HydrophobicContact CG-CD2 3.67Å; E345-F354 HydrophobicContact CG-CE2 3.78Å; E345-F354 HydrophobicContact CG-CG 4.38Å; E345-P378 VanDerWaalsContact CD-CA 3.45Å; E345-P378 HydrophobicContact CG-CB 3.89Å; E345-P378 WeakPolarHBondContact OE1-CA 3.23Å; E345-P378 VanDerWaalsContact OE1-CB 3.25Å; E345-P378 WeakPolarHBondContact OE1-CB 3.44Å; E345-R379 VanDerWaalsContact CD-N 3.29Å; E345-R379 PolarHBondContact OE1-N 3.5Å; E345-R379 PolarHBondContact OE2-N 3.1Å; E345-S380 VanDerWaalsContact OE1-CB 3.24Å; E345-S380 WeakPolarHBondContact OE1-CB 3.27Å; E345-S380 PolarHBondContact OE1-N 3.44Å; E345-S380 PolarHBondContact OE1-OG 3.26Å
346R84.9Confident84.5Confident172 Ų17272.6 Ų72.665%0.64938%0.375SS*.Hα-helixtrans-78.2-39.1178.9-174.7178.2178.2176.7-2.7112.9H342 L343H342-R346 PolarHBondContact NE2-NH1 2.84Å; H342-R346 WeakPolarHBondContact O-CB 3.45Å; H342-R346 PolarHBondContact O-N 3.33Å; L343-R346 PolarHBondContact O-N 3.03Å
347E81.2Confident84.3Confident135 Ų13570 Ų7063%0.63136%0.364SS*.Hα-helixtrans-88.2-32-177.4-63-69.6153.500112.3L343L343-E347 HydrophobicContact CD1-CG 3.61Å; L343-E347 HydrophobicContact CG-CG 4.33Å; L343-E347 WeakPolarHBondContact O-CB 3.49Å; L343-E347 WeakPolarHBondContact O-CG 3.32Å; L343-E347 PolarHBondContact O-N 2.92Å
348L71.8Confident84.3Confident120 Ų12073.3 Ų73.363%0.62839%0.387SS*.Hα-helixtrans-116.6-5-176.2-63.498.8000114.7A344 P382A344-L348 WeakPolarHBondContact O-CB 3.36Å; A344-L348 PolarHBondContact O-N 3.34Å; A344-L348 VanDerWaalsContact O-N 3.13Å; L348-P382 HydrophobicContact CB-CG 4.28Å; L348-P382 HydrophobicContact CD1-CG 4.07Å; L348-P382 HydrophobicContact CD2-CG 3.99Å; L348-P382 HydrophobicContact CG-CG 4.34Å
349G70.3Confident84.1Confident27 Ų2774.8 Ų74.828%0.27840%0.399SS..  trans-101.2151-178.500000113.8E345E345-G349 WeakPolarHBondContact O-CA 3.09Å; E345-G349 PolarHBondContact O-N 3.44Å
350A58.8Low84Confident115 Ų11572.6 Ų72.695%0.9539%0.385SS*.SBendtrans-90.7-6.4178.300000114.2
351R64.4Low84.1Confident138 Ų13873.1 Ų73.152%0.52138%0.382SS..  trans-119.4141.7-178.6-90.6-170.7178.3-165.6-3.2112.2D353 R379R351-D353 VanDerWaalsContact C-N 3.32Å; R351-D353 PolarHBondContact O-N 3.08Å; R351-R379 VanDerWaalsContact NH1-NH2 3.18Å
352R68.9Low84.2Confident235 Ų23579 Ų7989%0.88740%0.404SS*.  trans-92.229.5-178.8-70.6-177.6166.8169.3-3.2113.9F354R352-F354 PolarHBondContact O-N 2.86Å
353D78.4Confident84.3Confident64 Ų6478.5 Ų78.534%0.34240%0.402SS..SBendtrans-61.2-32179.3-59.3-17.3000110.1R351 S355 M376R351-D353 VanDerWaalsContact C-N 3.32Å; R351-D353 PolarHBondContact O-N 3.08Å; D353-S355 PolarHBondContact O-N 2.89Å; D353-M376 WeakPolarHBondContact O-CE 3.33Å
354F84.6Confident84.4Confident9 Ų973.9 Ų73.94%0.03938%0.377CS..  trans-91.771.7172.5-64.3-91.2000112V341 H342 E345 R352 S356 W363 M376 P378V341-F354 HydrophobicContact CG1-CD1 4.05Å; V341-F354 HydrophobicContact CG1-CE1 3.83Å; V341-F354 HydrophobicContact CG2-CE1 4.03Å; V341-F354 HydrophobicContact CG2-CZ 4.09Å; H342-F354 PolarHBondContact CE1-O 3.15Å; H342-F354 PolarHBondContact ND1-O 3.17Å; E345-F354 HydrophobicContact CB-CB 4.37Å; E345-F354 HydrophobicContact CB-CD2 3.73Å; E345-F354 HydrophobicContact CB-CE2 4.36Å; E345-F354 HydrophobicContact CB-CG 4.21Å; E345-F354 HydrophobicContact CG-CD2 3.67Å; E345-F354 HydrophobicContact CG-CE2 3.78Å; E345-F354 HydrophobicContact CG-CG 4.38Å; R352-F354 PolarHBondContact O-N 2.86Å; F354-S356 PolarHBondContact O-N 3.26Å; F354-W363 HydrophobicContact CE1-CB 3.93Å; F354-W363 AromaticContact CE1-CD2 3.9Å; F354-W363 HydrophobicContact CE1-CD2 3.9Å; F354-W363 HydrophobicContact CE1-CE3 4.27Å; F354-W363 AromaticContact CE1-CG 3.73Å; F354-W363 HydrophobicContact CE1-CG 3.73Å; F354-W363 HydrophobicContact CZ-CD2 4.19Å; F354-W363 AromaticContact CZ-CG 3.99Å; F354-W363 HydrophobicContact CZ-CG 3.99Å; F354-M376 HydrophobicContact CD1-CE 3.58Å; F354-M376 HydrophobicContact CE1-CE 3.74Å; F354-M376 HydrophobicContact CG-CE 4.08Å; F354-M376 HydrophobicContact CZ-CB 4.42Å; F354-M376 HydrophobicContact CZ-CE 4.33Å; F354-P378 HydrophobicContact CE2-CB 4.38Å; F354-P378 HydrophobicContact CZ-CB 4.38Å
355S87.4Confident84.6Confident88 Ų8875.8 Ų75.862%0.61539%0.388SS*.  trans-66.7-33.6-174.563.10000114.8D353D353-S355 PolarHBondContact O-N 2.89Å
356S91.1Very high84.9Confident45 Ų4575.7 Ų75.732%0.31539%0.388SS..SBendtrans-153.1162.1-177.765.30000111.6F354 A359 S360F354-S356 PolarHBondContact O-N 3.26Å; S356-A359 PolarHBondContact O-N 3.25Å; S356-A359 WeakPolarHBondContact OG-CB 3.31Å; S356-A359 PolarHBondContact OG-N 3.21Å; S356-S360 PolarHBondContact O-N 3.44Å; S356-S360 PolarHBondContact O-OG 2.86Å
357V92.4Very high85.3Confident43 Ų4368.2 Ų68.226%0.26136%0.361SS..Hα-helixtrans-59.2-44.8175.1177.60000111.8P339 H342 A359 S360 Y361P339-V357 HydrophobicContact CB-CG1 4.38Å; P339-V357 HydrophobicContact CB-CG2 4.47Å; P339-V357 HydrophobicContact CG-CG1 3.81Å; H342-V357 HydrophobicContact CB-CG2 4.39Å; V357-A359 VanDerWaalsContact C-N 3.34Å; V357-A359 PolarHBondContact O-N 3.27Å; V357-S360 CarbonylContact O-C 3.59Å; V357-S360 WeakPolarHBondContact O-CA 3.39Å; V357-S360 VanDerWaalsContact O-CB 3.31Å; V357-S360 WeakPolarHBondContact O-CB 3.39Å; V357-S360 PolarHBondContact O-N 3.43Å; V357-Y361 HydrophobicContact CG1-CE1 4.17Å; V357-Y361 PolarHBondContact O-N 2.7Å; V357-Y361 VanDerWaalsContact O-N 3.12Å
358P93.7Very high85.9Confident90 Ų9061.9 Ų61.958%0.58433%0.332SS*.Hα-helixtrans-61.8-37.2174.9-25.536.6000114S360 Y361P358-S360 PolarHBondContact O-N 3.46Å; P358-Y361 HydrophobicContact CB-CD2 4.39Å; P358-Y361 WeakPolarHBondContact O-CB 3.43Å; P358-Y361 PolarHBondContact O-N 3.13Å
359A91.6Very high87Confident31 Ų3158.2 Ų58.226%0.25632%0.315SS..Hα-helixtrans-64.3-33.7172.600000111.6S356 V357 Y361 W362S356-A359 PolarHBondContact O-N 3.25Å; S356-A359 WeakPolarHBondContact OG-CB 3.31Å; S356-A359 PolarHBondContact OG-N 3.21Å; V357-A359 VanDerWaalsContact C-N 3.34Å; V357-A359 PolarHBondContact O-N 3.27Å; A359-Y361 VanDerWaalsContact C-N 3.28Å; A359-Y361 PolarHBondContact O-N 3.07Å; A359-W362 WeakPolarHBondContact O-CB 3.32Å; A359-W362 PolarHBondContact O-N 2.89Å
360S93.5Very high88.1Confident0 Ų061.7 Ų61.70%033%0.331CS..Hα-helixtrans-71.2-20.3176.9-49.80000112.9A338 S356 V357 P358 W362 W363 A364A338-S360 WeakPolarHBondContact O-CB 3.1Å; S356-S360 PolarHBondContact O-N 3.44Å; S356-S360 PolarHBondContact O-OG 2.86Å; V357-S360 CarbonylContact O-C 3.59Å; V357-S360 WeakPolarHBondContact O-CA 3.39Å; V357-S360 VanDerWaalsContact O-CB 3.31Å; V357-S360 WeakPolarHBondContact O-CB 3.39Å; V357-S360 PolarHBondContact O-N 3.43Å; P358-S360 PolarHBondContact O-N 3.46Å; S360-W362 VanDerWaalsContact C-N 3.31Å; S360-W362 PolarHBondContact O-N 3.34Å; S360-W363 PolarHBondContact O-N 3.49Å; S360-A364 PolarHBondContact O-N 3.28Å
361Y95.3Very high89.9Confident91 Ų9159.9 Ų59.936%0.35731%0.307SS..Hα-helixtrans-63.5-36.6170.9-66.4-36000112.2M334 A338 V357 P358 A359 W363 A364 V365M334-Y361 HydrophobicContact CB-CD1 4.17Å; M334-Y361 WeakPolarHBondContact O-CE1 3.48Å; A338-Y361 HydrophobicContact CB-CD1 3.34Å; A338-Y361 HydrophobicContact CB-CE1 3.67Å; A338-Y361 HydrophobicContact CB-CG 4.39Å; V357-Y361 HydrophobicContact CG1-CE1 4.17Å; V357-Y361 PolarHBondContact O-N 2.7Å; V357-Y361 VanDerWaalsContact O-N 3.12Å; P358-Y361 HydrophobicContact CB-CD2 4.39Å; P358-Y361 WeakPolarHBondContact O-CB 3.43Å; P358-Y361 PolarHBondContact O-N 3.13Å; A359-Y361 VanDerWaalsContact C-N 3.28Å; A359-Y361 PolarHBondContact O-N 3.07Å; Y361-W363 VanDerWaalsContact C-N 3.34Å; Y361-W363 PolarHBondContact O-N 2.91Å; Y361-A364 PolarHBondContact O-N 2.93Å; Y361-V365 WeakPolarHBondContact O-CG2 3.41Å; Y361-V365 PolarHBondContact O-N 3.28Å
362W94.9Very high91.2Very high124 Ų12455.6 Ų55.647%0.4731%0.307SS..Hα-helixtrans-57.3-50.4175.4172-110.9000110.7A359 S360 A364 V365 I366 Y373 D375A359-W362 WeakPolarHBondContact O-CB 3.32Å; A359-W362 PolarHBondContact O-N 2.89Å; S360-W362 VanDerWaalsContact C-N 3.31Å; S360-W362 PolarHBondContact O-N 3.34Å; W362-A364 VanDerWaalsContact C-N 3.35Å; W362-A364 PolarHBondContact O-N 3.5Å; W362-V365 PolarHBondContact O-N 2.95Å; W362-I366 HydrophobicContact CD2-CG2 4.25Å; W362-I366 HydrophobicContact CE3-CG2 4.36Å; W362-I366 HydrophobicContact CH2-CG2 4.18Å; W362-I366 HydrophobicContact CZ2-CG2 4.05Å; W362-I366 HydrophobicContact CZ3-CG2 4.33Å; W362-I366 WeakPolarHBondContact O-CG1 3.16Å; W362-I366 WeakPolarHBondContact O-CG2 3.4Å; W362-I366 PolarHBondContact O-N 3.33Å; W362-I366 VanDerWaalsContact O-N 3.15Å; W362-Y373 HydrophobicContact CH2-CD2 4.37Å; W362-Y373 AromaticContact CH2-CE2 3.97Å; W362-Y373 HydrophobicContact CH2-CE2 3.97Å; W362-Y373 AromaticContact CZ2-CD2 3.79Å; W362-Y373 HydrophobicContact CZ2-CD2 3.79Å; W362-Y373 AromaticContact CZ2-CE2 3.86Å; W362-Y373 HydrophobicContact CZ2-CE2 3.86Å; W362-D375 PolarHBondContact NE1-OD2 3.4Å
363W94.6Very high92.4Very high8 Ų852 Ų523%0.0329%0.294CS..Hα-helixtrans-58.9-42.8174.3172.780.5000112.8V341 F354 S360 Y361 I366 S367 M376 P378 A387V341-W363 HydrophobicContact CB-CE3 4.33Å; V341-W363 HydrophobicContact CB-CH2 4.09Å; V341-W363 HydrophobicContact CB-CZ3 3.78Å; V341-W363 HydrophobicContact CG1-CD2 4.46Å; V341-W363 HydrophobicContact CG1-CE3 3.61Å; V341-W363 HydrophobicContact CG1-CH2 4.26Å; V341-W363 HydrophobicContact CG1-CZ3 3.49Å; V341-W363 VanDerWaalsContact CG1-CZ3 3.49Å; V341-W363 HydrophobicContact CG2-CE3 4.42Å; V341-W363 HydrophobicContact CG2-CH2 3.91Å; V341-W363 HydrophobicContact CG2-CZ2 4.3Å; V341-W363 HydrophobicContact CG2-CZ3 4Å; F354-W363 HydrophobicContact CE1-CB 3.93Å; F354-W363 AromaticContact CE1-CD2 3.9Å; F354-W363 HydrophobicContact CE1-CD2 3.9Å; F354-W363 HydrophobicContact CE1-CE3 4.27Å; F354-W363 AromaticContact CE1-CG 3.73Å; F354-W363 HydrophobicContact CE1-CG 3.73Å; F354-W363 HydrophobicContact CZ-CD2 4.19Å; F354-W363 AromaticContact CZ-CG 3.99Å; F354-W363 HydrophobicContact CZ-CG 3.99Å; S360-W363 PolarHBondContact O-N 3.49Å; Y361-W363 VanDerWaalsContact C-N 3.34Å; Y361-W363 PolarHBondContact O-N 2.91Å; W363-I366 VanDerWaalsContact O-CG1 3.27Å; W363-I366 WeakPolarHBondContact O-CG1 3.47Å; W363-S367 PolarHBondContact NE1-OG 3.25Å; W363-S367 VanDerWaalsContact O-CB 3.23Å; W363-S367 WeakPolarHBondContact O-CB 3.34Å; W363-S367 PolarHBondContact O-N 3.23Å; W363-S367 PolarHBondContact O-OG 2.88Å; W363-M376 HydrophobicContact CB-CB 4.14Å; W363-M376 HydrophobicContact CB-CE 4.14Å; W363-M376 HydrophobicContact CB-SD 4.27Å; W363-M376 HydrophobicContact CG-CB 4.38Å; W363-P378 HydrophobicContact CZ2-CG 3.83Å; W363-A387 HydrophobicContact CH2-CB 4.03Å; W363-A387 HydrophobicContact CZ2-CB 3.71Å
364A94.8Very high93.1Very high0 Ų051.4 Ų51.40%030%0.303CS..Hα-helixtrans-64.3-44.8-179.800000111.8M334 A338 S360 Y361 W362 S367 M368M334-A364 HydrophobicContact CG-CB 4.19Å; A338-A364 HydrophobicContact CB-CB 4.12Å; S360-A364 PolarHBondContact O-N 3.28Å; Y361-A364 PolarHBondContact O-N 2.93Å; W362-A364 VanDerWaalsContact C-N 3.35Å; W362-A364 PolarHBondContact O-N 3.5Å; A364-S367 PolarHBondContact O-N 2.86Å; A364-M368 WeakPolarHBondContact O-CB 3.37Å; A364-M368 WeakPolarHBondContact O-CG 3.31Å; A364-M368 PolarHBondContact O-N 3.4Å
365V94.8Very high93.4Very high49 Ų4955.1 Ų55.130%0.29732%0.323SS..Hα-helixtrans-57.3-54.6176.2173.90000110.5M334 Y361 W362 S367 M368 T369M334-V365 HydrophobicContact CE-CG2 4.45Å; M334-V365 HydrophobicContact CG-CG2 4.4Å; M334-V365 HydrophobicContact SD-CB 4.33Å; M334-V365 HydrophobicContact SD-CG2 3.12Å; M334-V365 WeakPolarHBondContact SD-CG2 3.41Å; Y361-V365 WeakPolarHBondContact O-CG2 3.41Å; Y361-V365 PolarHBondContact O-N 3.28Å; W362-V365 PolarHBondContact O-N 2.95Å; V365-S367 VanDerWaalsContact C-N 3.28Å; V365-S367 PolarHBondContact O-N 3.44Å; V365-M368 PolarHBondContact O-N 2.96Å; V365-T369 HydrophobicContact CG1-CG2 4.47Å; V365-T369 WeakPolarHBondContact O-CB 3.39Å; V365-T369 WeakPolarHBondContact O-CG2 3.35Å; V365-T369 PolarHBondContact O-N 3.38Å; V365-T369 PolarHBondContact O-OG1 2.93Å
366I94.9Very high93.5Very high6 Ų652 Ų523%0.03130%0.299CS..Hα-helixtrans-68-30.4-173.366.5-179.8000112.1W362 W363 T370 V371 G372 Y373 D375W362-I366 HydrophobicContact CD2-CG2 4.25Å; W362-I366 HydrophobicContact CE3-CG2 4.36Å; W362-I366 HydrophobicContact CH2-CG2 4.18Å; W362-I366 HydrophobicContact CZ2-CG2 4.05Å; W362-I366 HydrophobicContact CZ3-CG2 4.33Å; W362-I366 WeakPolarHBondContact O-CG1 3.16Å; W362-I366 WeakPolarHBondContact O-CG2 3.4Å; W362-I366 PolarHBondContact O-N 3.33Å; W362-I366 VanDerWaalsContact O-N 3.15Å; W363-I366 VanDerWaalsContact O-CG1 3.27Å; W363-I366 WeakPolarHBondContact O-CG1 3.47Å; I366-T370 PolarHBondContact O-N 3.41Å; I366-V371 HydrophobicContact CB-CB 4.4Å; I366-V371 PolarHBondContact O-N 3.09Å; I366-G372 PolarHBondContact O-N 3.16Å; I366-G372 VanDerWaalsContact O-N 3.09Å; I366-Y373 HydrophobicContact CB-CD2 4.49Å; I366-Y373 HydrophobicContact CD1-CD2 4.37Å; I366-Y373 HydrophobicContact CG2-CD2 3.96Å; I366-Y373 HydrophobicContact CG2-CE2 4.12Å; I366-D375 WeakPolarHBondContact CD1-OD1 3.12Å
367S94.6Very high93.5Very high14 Ų1453.3 Ų53.310%0.09831%0.305CS..Hα-helixtrans-77.4-45.6178.3-58.20000111.3W363 A364 V365 T369 T370W363-S367 PolarHBondContact NE1-OG 3.25Å; W363-S367 VanDerWaalsContact O-CB 3.23Å; W363-S367 WeakPolarHBondContact O-CB 3.34Å; W363-S367 PolarHBondContact O-N 3.23Å; W363-S367 PolarHBondContact O-OG 2.88Å; A364-S367 PolarHBondContact O-N 2.86Å; V365-S367 VanDerWaalsContact C-N 3.28Å; V365-S367 PolarHBondContact O-N 3.44Å; S367-T369 VanDerWaalsContact C-N 3.32Å; S367-T369 PolarHBondContact O-N 3.48Å; S367-T370 PolarHBondContact O-N 3.32Å; S367-T370 VanDerWaalsContact O-N 3.1Å
368M93.6Very high93.5Very high2 Ų251.7 Ų51.71%0.0130%0.296CS..Hα-helixtrans-66.6-32.6178.1-73.2-174.873.200113.1L330 A333 M334 A364 V365 T370 L397L330-M368 HydrophobicContact CD1-CB 4.2Å; L330-M368 HydrophobicContact CD1-CE 3.92Å; L330-M368 HydrophobicContact CD1-SD 4.07Å; A333-M368 HydrophobicContact CB-CE 3.24Å; A333-M368 HydrophobicContact CB-SD 3.8Å; M334-M368 HydrophobicContact CG-SD 4.29Å; A364-M368 WeakPolarHBondContact O-CB 3.37Å; A364-M368 WeakPolarHBondContact O-CG 3.31Å; A364-M368 PolarHBondContact O-N 3.4Å; V365-M368 PolarHBondContact O-N 2.96Å; M368-T370 PolarHBondContact O-N 2.92Å; M368-L397 HydrophobicContact CE-CD1 4.07Å
369T93.6Very high93.2Very high44 Ų4454.4 Ų54.427%0.2729%0.294SS..THydrogen-bonded Turntrans-85.66.5174.857.20000113.3V365 S367 V371V365-T369 HydrophobicContact CG1-CG2 4.47Å; V365-T369 WeakPolarHBondContact O-CB 3.39Å; V365-T369 WeakPolarHBondContact O-CG2 3.35Å; V365-T369 PolarHBondContact O-N 3.38Å; V365-T369 PolarHBondContact O-OG1 2.93Å; S367-T369 VanDerWaalsContact C-N 3.32Å; S367-T369 PolarHBondContact O-N 3.48Å; T369-V371 PolarHBondContact O-N 2.87Å; T369-V371 VanDerWaalsContact O-N 3.16Å
370T94.1Very high93.2Very high99 Ų9953.6 Ų53.661%0.60729%0.286SS*.THydrogen-bonded Turntrans56.426.3178.6690000114.6I366 S367 M368 I395I366-T370 PolarHBondContact O-N 3.41Å; S367-T370 PolarHBondContact O-N 3.32Å; S367-T370 VanDerWaalsContact O-N 3.1Å; M368-T370 PolarHBondContact O-N 2.92Å; T370-I395 HydrophobicContact CG2-CD1 4.29Å; T370-I395 HydrophobicContact CG2-CG1 3.82Å
371V95.8Very high93.1Very high77 Ų7760.1 Ų60.147%0.46732%0.321SS..  trans-79.8-53175.6175.70000110.7I366 T369 Y373I366-V371 HydrophobicContact CB-CB 4.4Å; I366-V371 PolarHBondContact O-N 3.09Å; T369-V371 PolarHBondContact O-N 2.87Å; T369-V371 VanDerWaalsContact O-N 3.16Å; V371-Y373 HydrophobicContact CG1-CD1 4.27Å; V371-Y373 HydrophobicContact CG1-CD2 4.08Å; V371-Y373 HydrophobicContact CG1-CE1 3.94Å; V371-Y373 HydrophobicContact CG1-CE2 3.74Å; V371-Y373 HydrophobicContact CG1-CG 4.32Å
372G93.6Very high92.9Very high49 Ų4958.2 Ų58.251%0.50532%0.32SS..  trans55.661.9171.800000116I366 G374I366-G372 PolarHBondContact O-N 3.16Å; I366-G372 VanDerWaalsContact O-N 3.09Å; G372-G374 PolarHBondContact O-N 2.64Å; G372-G374 VanDerWaalsContact O-N 3.12Å
373Y93.9Very high92.8Very high160 Ų16052.3 Ų52.363%0.62730%0.297SS*.  trans-57.5-25.3177.4-69.5-62000114.4W362 I366 V371 D375W362-Y373 HydrophobicContact CH2-CD2 4.37Å; W362-Y373 AromaticContact CH2-CE2 3.97Å; W362-Y373 HydrophobicContact CH2-CE2 3.97Å; W362-Y373 AromaticContact CZ2-CD2 3.79Å; W362-Y373 HydrophobicContact CZ2-CD2 3.79Å; W362-Y373 AromaticContact CZ2-CE2 3.86Å; W362-Y373 HydrophobicContact CZ2-CE2 3.86Å; I366-Y373 HydrophobicContact CB-CD2 4.49Å; I366-Y373 HydrophobicContact CD1-CD2 4.37Å; I366-Y373 HydrophobicContact CG2-CD2 3.96Å; I366-Y373 HydrophobicContact CG2-CE2 4.12Å; V371-Y373 HydrophobicContact CG1-CD1 4.27Å; V371-Y373 HydrophobicContact CG1-CD2 4.08Å; V371-Y373 HydrophobicContact CG1-CE1 3.94Å; V371-Y373 HydrophobicContact CG1-CE2 3.74Å; V371-Y373 HydrophobicContact CG1-CG 4.32Å; Y373-D375 VanDerWaalsContact C-N 3.31Å
374G91.6Very high92.7Very high51 Ų5156.7 Ų56.753%0.52632%0.318SS..SBendtrans80.78.9178.400000114.6G372G372-G374 PolarHBondContact O-N 2.64Å; G372-G374 VanDerWaalsContact O-N 3.12Å
375D90.8Very high92.8Very high87 Ų8761.5 Ų61.547%0.46535%0.347SS..SBendtrans-70.5-30.4173.960.6-35.6000112.7W362 I366 Y373W362-D375 PolarHBondContact NE1-OD2 3.4Å; I366-D375 WeakPolarHBondContact CD1-OD1 3.12Å; Y373-D375 VanDerWaalsContact C-N 3.31Å
376M90.4Very high92.7Very high22 Ų2260.2 Ų60.211%0.10834%0.339CS..SBendtrans-128.2127171.6-63179.163.100109.6D353 F354 W363D353-M376 WeakPolarHBondContact O-CE 3.33Å; F354-M376 HydrophobicContact CD1-CE 3.58Å; F354-M376 HydrophobicContact CE1-CE 3.74Å; F354-M376 HydrophobicContact CG-CE 4.08Å; F354-M376 HydrophobicContact CZ-CB 4.42Å; F354-M376 HydrophobicContact CZ-CE 4.33Å; W363-M376 HydrophobicContact CB-CB 4.14Å; W363-M376 HydrophobicContact CB-CE 4.14Å; W363-M376 HydrophobicContact CB-SD 4.27Å; W363-M376 HydrophobicContact CG-CB 4.38Å
377V91.7Very high92.7Very high72 Ų7260.4 Ų60.444%0.43634%0.342SS..  trans-143.1126.2-179.7-175.60000109.9
378P91.6Very high92.8Very high10 Ų1065.8 Ų65.87%0.06537%0.369CS..  trans-69.7132.4175.326-28.5000110.5V341 E345 F354 W363 A387V341-P378 HydrophobicContact CG2-CB 3.83Å; V341-P378 HydrophobicContact CG2-CG 4.2Å; E345-P378 VanDerWaalsContact CD-CA 3.45Å; E345-P378 HydrophobicContact CG-CB 3.89Å; E345-P378 WeakPolarHBondContact OE1-CA 3.23Å; E345-P378 VanDerWaalsContact OE1-CB 3.25Å; E345-P378 WeakPolarHBondContact OE1-CB 3.44Å; F354-P378 HydrophobicContact CE2-CB 4.38Å; F354-P378 HydrophobicContact CZ-CB 4.38Å; W363-P378 HydrophobicContact CZ2-CG 3.83Å; P378-A387 HydrophobicContact CG-CB 3.65Å
379R88.8Confident92.8Very high147 Ų14768.1 Ų68.156%0.55539%0.386SS*.  trans-111.5-22.3-176.4-63.2-171.3-178.7-172.7-2.8113.1E345 R351 Q384E345-R379 VanDerWaalsContact CD-N 3.29Å; E345-R379 PolarHBondContact OE1-N 3.5Å; E345-R379 PolarHBondContact OE2-N 3.1Å; R351-R379 VanDerWaalsContact NH1-NH2 3.18Å; R379-Q384 PolarHBondContact O-NE2 2.9Å
380S90.8Very high92.9Very high13 Ų1366 Ų669%0.09137%0.373CS..SBendtrans-68.9147.2175.872.80000110.3E345 G383 Q384E345-S380 VanDerWaalsContact OE1-CB 3.24Å; E345-S380 WeakPolarHBondContact OE1-CB 3.27Å; E345-S380 PolarHBondContact OE1-N 3.44Å; E345-S380 PolarHBondContact OE1-OG 3.26Å; S380-G383 PolarHBondContact O-N 2.96Å; S380-G383 VanDerWaalsContact O-N 3.15Å; S380-G383 WeakPolarHBondContact OG-CA 3.36Å; S380-G383 PolarHBondContact OG-N 3.12Å; S380-Q384 WeakPolarHBondContact O-CG 3.43Å; S380-Q384 PolarHBondContact O-N 3.43Å
381L90.6Very high93Very high138 Ų13864.4 Ų64.472%0.72336%0.36SS*.Hα-helixtrans-53-49.3173.1-68173000112.9G383 Q384 V385L381-G383 VanDerWaalsContact C-N 3.32Å; L381-G383 PolarHBondContact O-N 3.4Å; L381-Q384 PolarHBondContact O-N 3.15Å; L381-V385 WeakPolarHBondContact O-CG2 3.3Å; L381-V385 PolarHBondContact O-N 3.27Å; L381-V385 VanDerWaalsContact O-N 3.14Å
382P91.8Very high93Very high51 Ų5165.7 Ų65.733%0.33136%0.363SS..Hα-helixtrans-64.6-36.217624.7-34.1000112.6A344 L348 Q384 V385 V386A344-P382 HydrophobicContact CB-CB 4.14Å; A344-P382 HydrophobicContact CB-CG 4.23Å; L348-P382 HydrophobicContact CB-CG 4.28Å; L348-P382 HydrophobicContact CD1-CG 4.07Å; L348-P382 HydrophobicContact CD2-CG 3.99Å; L348-P382 HydrophobicContact CG-CG 4.34Å; P382-Q384 VanDerWaalsContact C-N 3.33Å; P382-Q384 PolarHBondContact O-N 3.39Å; P382-V385 PolarHBondContact O-N 2.87Å; P382-V386 WeakPolarHBondContact O-CG2 3.39Å; P382-V386 PolarHBondContact O-N 3.49Å
383G92.4Very high93Very high0 Ų065 Ų650%035%0.35CS..Hα-helixtrans-62.9-38.2175.300000112.6S380 L381 V386 A387S380-G383 PolarHBondContact O-N 2.96Å; S380-G383 VanDerWaalsContact O-N 3.15Å; S380-G383 WeakPolarHBondContact OG-CA 3.36Å; S380-G383 PolarHBondContact OG-N 3.12Å; L381-G383 VanDerWaalsContact C-N 3.32Å; L381-G383 PolarHBondContact O-N 3.4Å; G383-V386 PolarHBondContact O-N 2.95Å; G383-A387 WeakPolarHBondContact O-CB 3.27Å; G383-A387 PolarHBondContact O-N 3.31Å
384Q93.4Very high93Very high100 Ų10057.3 Ų57.347%0.46732%0.32SS..Hα-helixtrans-66.6-37.7174.3-71.3176.28.100112.5R379 S380 L381 P382 A387 L388R379-Q384 PolarHBondContact O-NE2 2.9Å; S380-Q384 WeakPolarHBondContact O-CG 3.43Å; S380-Q384 PolarHBondContact O-N 3.43Å; L381-Q384 PolarHBondContact O-N 3.15Å; P382-Q384 VanDerWaalsContact C-N 3.33Å; P382-Q384 PolarHBondContact O-N 3.39Å; Q384-A387 WeakPolarHBondContact O-CB 3.23Å; Q384-A387 PolarHBondContact O-N 2.87Å; Q384-L388 WeakPolarHBondContact O-CB 3.26Å; Q384-L388 PolarHBondContact O-N 2.94Å
385V95.2Very high93Very high100 Ų10059 Ų5961%0.60632%0.316SS*.Hα-helixtrans-65.3-44.1174.2174.20000110.8L381 P382 A387 L388 S389L381-V385 WeakPolarHBondContact O-CG2 3.3Å; L381-V385 PolarHBondContact O-N 3.27Å; L381-V385 VanDerWaalsContact O-N 3.14Å; P382-V385 PolarHBondContact O-N 2.87Å; V385-A387 VanDerWaalsContact C-N 3.31Å; V385-A387 PolarHBondContact O-N 3.34Å; V385-L388 PolarHBondContact O-N 3.12Å; V385-S389 PolarHBondContact O-N 2.77Å; V385-S389 PolarHBondContact O-OG 3.48Å
386V94.7Very high93.1Very high22 Ų2260.5 Ų60.513%0.13332%0.324CS..Hα-helixtrans-62-40.5173.6175.30000110.8F337 L340 V341 P382 G383 S389 S390F337-V386 HydrophobicContact CD1-CG1 4.38Å; L340-V386 HydrophobicContact CB-CG1 3.85Å; L340-V386 HydrophobicContact CB-CG2 4.23Å; V341-V386 HydrophobicContact CB-CG1 4.02Å; P382-V386 WeakPolarHBondContact O-CG2 3.39Å; P382-V386 PolarHBondContact O-N 3.49Å; G383-V386 PolarHBondContact O-N 2.95Å; V386-S389 WeakPolarHBondContact CA-OG 3.39Å; V386-S389 PolarHBondContact O-N 3.25Å; V386-S389 PolarHBondContact O-OG 2.96Å; V386-S390 VanDerWaalsContact O-CB 3.25Å; V386-S390 WeakPolarHBondContact O-CB 3.35Å; V386-S390 PolarHBondContact O-N 3Å
387A93.9Very high93.1Very high11 Ų1161.9 Ų61.99%0.09133%0.331CS..Hα-helixtrans-61.6-48.3175.700000112.5W363 P378 G383 Q384 V385 S389 S390 I391W363-A387 HydrophobicContact CH2-CB 4.03Å; W363-A387 HydrophobicContact CZ2-CB 3.71Å; P378-A387 HydrophobicContact CG-CB 3.65Å; G383-A387 WeakPolarHBondContact O-CB 3.27Å; G383-A387 PolarHBondContact O-N 3.31Å; Q384-A387 WeakPolarHBondContact O-CB 3.23Å; Q384-A387 PolarHBondContact O-N 2.87Å; V385-A387 VanDerWaalsContact C-N 3.31Å; V385-A387 PolarHBondContact O-N 3.34Å; A387-S389 VanDerWaalsContact C-N 3.35Å; A387-S389 PolarHBondContact O-N 3.46Å; A387-S390 PolarHBondContact O-N 3.44Å; A387-I391 WeakPolarHBondContact O-CB 3.2Å; A387-I391 WeakPolarHBondContact O-CD1 3.25Å; A387-I391 VanDerWaalsContact O-CG1 3.26Å; A387-I391 WeakPolarHBondContact O-CG1 3.22Å; A387-I391 PolarHBondContact O-N 2.91Å
388L95.6Very high93Very high127 Ų12760.9 Ų60.967%0.66532%0.323SS*.Hα-helixtrans-59.1-47.1178.5-177.167.1000111.1Q384 V385 L392Q384-L388 WeakPolarHBondContact O-CB 3.26Å; Q384-L388 PolarHBondContact O-N 2.94Å; V385-L388 PolarHBondContact O-N 3.12Å; L388-L392 WeakPolarHBondContact O-CB 3.5Å; L388-L392 PolarHBondContact O-N 2.75Å
389S95.4Very high92.9Very high51 Ų5163 Ų6336%0.35734%0.341SS..Hα-helixtrans-64.7-39.8177.862.70000112.8V385 V386 A387 S393V385-S389 PolarHBondContact O-N 2.77Å; V385-S389 PolarHBondContact O-OG 3.48Å; V386-S389 WeakPolarHBondContact CA-OG 3.39Å; V386-S389 PolarHBondContact O-N 3.25Å; V386-S389 PolarHBondContact O-OG 2.96Å; A387-S389 VanDerWaalsContact C-N 3.35Å; A387-S389 PolarHBondContact O-N 3.46Å; S389-S393 VanDerWaalsContact O-CB 3.24Å; S389-S393 WeakPolarHBondContact O-CB 3.34Å; S389-S393 PolarHBondContact O-N 3.2Å
390S95.6Very high92.7Very high0 Ų063.5 Ų63.50%035%0.347CS..Hα-helixtrans-64.8-45.6177.7-179.80000112.2V386 A387 S393 G394V386-S390 VanDerWaalsContact O-CB 3.25Å; V386-S390 WeakPolarHBondContact O-CB 3.35Å; V386-S390 PolarHBondContact O-N 3Å; A387-S390 PolarHBondContact O-N 3.44Å; S390-S393 PolarHBondContact O-N 3.3Å; S390-G394 PolarHBondContact O-N 3.37Å
391I95.6Very high92.5Very high65 Ų6563.3 Ų63.333%0.33335%0.345SS..Hα-helixtrans-64.6-46.9178.7-66.5164000110.4A387 S393 G394 I395A387-I391 WeakPolarHBondContact O-CB 3.2Å; A387-I391 WeakPolarHBondContact O-CD1 3.25Å; A387-I391 VanDerWaalsContact O-CG1 3.26Å; A387-I391 WeakPolarHBondContact O-CG1 3.22Å; A387-I391 PolarHBondContact O-N 2.91Å; I391-S393 VanDerWaalsContact C-N 3.34Å; I391-S393 PolarHBondContact O-N 3.48Å; I391-G394 PolarHBondContact O-N 3.46Å; I391-I395 HydrophobicContact CG2-CD1 4.02Å; I391-I395 WeakPolarHBondContact O-CG1 3.14Å; I391-I395 PolarHBondContact O-N 2.93Å
392L95.2Very high92.4Very high104 Ų10460.4 Ų60.455%0.54533%0.333SS..Hα-helixtrans-60.9-44.1177.9-177.264000111.4L388 I395 L396L388-L392 WeakPolarHBondContact O-CB 3.5Å; L388-L392 PolarHBondContact O-N 2.75Å; L392-I395 PolarHBondContact O-N 3.42Å; L392-L396 HydrophobicContact CG-CD1 4.37Å; L392-L396 WeakPolarHBondContact O-CG 3.24Å; L392-L396 PolarHBondContact O-N 3.48Å
393S93.6Very high92.3Very high33 Ų3361.6 Ų61.623%0.23134%0.34CS..Hα-helixtrans-61.3-44.2175-177.20000111.7S389 S390 I391 I395 L396 L397S389-S393 VanDerWaalsContact O-CB 3.24Å; S389-S393 WeakPolarHBondContact O-CB 3.34Å; S389-S393 PolarHBondContact O-N 3.2Å; S390-S393 PolarHBondContact O-N 3.3Å; I391-S393 VanDerWaalsContact C-N 3.34Å; I391-S393 PolarHBondContact O-N 3.48Å; S393-I395 PolarHBondContact O-N 3.21Å; S393-L396 PolarHBondContact O-N 3.18Å; S393-L397 WeakPolarHBondContact O-CB 3.48Å; S393-L397 VanDerWaalsContact O-CG 3.25Å; S393-L397 WeakPolarHBondContact O-CG 3.2Å; S393-L397 PolarHBondContact O-N 2.98Å
394G93.6Very high92.1Very high0 Ų063.2 Ų63.20%035%0.351CS..Hα-helixtrans-58.6-47.6177.400000113.1S390 I391 L396 L397 M398S390-G394 PolarHBondContact O-N 3.37Å; I391-G394 PolarHBondContact O-N 3.46Å; G394-L396 VanDerWaalsContact C-N 3.34Å; G394-L396 PolarHBondContact O-N 3Å; G394-L397 PolarHBondContact O-N 3.49Å; G394-M398 WeakPolarHBondContact O-CB 3.33Å; G394-M398 WeakPolarHBondContact O-CG 3.39Å; G394-M398 PolarHBondContact O-N 3.44Å
395I93.1Very high91.9Very high86 Ų8659.7 Ų59.744%0.44134%0.335SS..Hα-helixtrans-58.6-46.2177.6-66.3166.6000110.9T370 I391 L392 S393 A399T370-I395 HydrophobicContact CG2-CD1 4.29Å; T370-I395 HydrophobicContact CG2-CG1 3.82Å; I391-I395 HydrophobicContact CG2-CD1 4.02Å; I391-I395 WeakPolarHBondContact O-CG1 3.14Å; I391-I395 PolarHBondContact O-N 2.93Å; L392-I395 PolarHBondContact O-N 3.42Å; S393-I395 PolarHBondContact O-N 3.21Å; I395-A399 WeakPolarHBondContact O-CB 3.41Å; I395-A399 PolarHBondContact O-N 3.39Å; I395-A399 VanDerWaalsContact O-N 3.12Å
396L91.8Very high91.7Very high119 Ų11961 Ų6162%0.62333%0.333SS*.Hα-helixtrans-65.8-42.5179.7-68.1172.5000112.4L392 S393 G394L392-L396 HydrophobicContact CG-CD1 4.37Å; L392-L396 WeakPolarHBondContact O-CG 3.24Å; L392-L396 PolarHBondContact O-N 3.48Å; S393-L396 PolarHBondContact O-N 3.18Å; G394-L396 VanDerWaalsContact C-N 3.34Å; G394-L396 PolarHBondContact O-N 3Å
397L90.6Very high91.4Very high51 Ų5166.2 Ų66.227%0.26736%0.356SS..Hα-helixtrans-67.5-37.5179.9-72.5175.7000112.5F329 A333 M368 S393 G394 P401F329-L397 HydrophobicContact CB-CD1 4.49Å; F329-L397 HydrophobicContact CB-CD2 4.16Å; F329-L397 HydrophobicContact CG-CD2 4.38Å; A333-L397 HydrophobicContact CB-CD1 3.85Å; M368-L397 HydrophobicContact CE-CD1 4.07Å; S393-L397 WeakPolarHBondContact O-CB 3.48Å; S393-L397 VanDerWaalsContact O-CG 3.25Å; S393-L397 WeakPolarHBondContact O-CG 3.2Å; S393-L397 PolarHBondContact O-N 2.98Å; G394-L397 PolarHBondContact O-N 3.49Å; L397-P401 WeakPolarHBondContact O-CD 3.33Å
398M89.5Confident91.1Very high51 Ų5167.1 Ų67.125%0.25136%0.36SS..Hα-helixtrans-76-31.3-179.8-63.7-70.3-68.400112.2L326 G394 F400 V402L326-M398 HydrophobicContact CD1-CE 4.46Å; L326-M398 HydrophobicContact CD1-SD 3.61Å; L326-M398 HydrophobicContact CG-SD 4.37Å; G394-M398 WeakPolarHBondContact O-CB 3.33Å; G394-M398 WeakPolarHBondContact O-CG 3.39Å; G394-M398 PolarHBondContact O-N 3.44Å; M398-F400 PolarHBondContact O-N 2.86Å; M398-V402 VanDerWaalsContact O-CB 3.31Å; M398-V402 WeakPolarHBondContact O-CB 3.46Å; M398-V402 WeakPolarHBondContact O-CG2 3.49Å; M398-V402 PolarHBondContact O-N 3.24Å
399A89.4Confident90.8Very high54 Ų5463.8 Ų63.845%0.44634%0.34SS..Hα-helixtrans-60.3-44.7-174.200000113.9I395 T403I395-A399 WeakPolarHBondContact O-CB 3.41Å; I395-A399 PolarHBondContact O-N 3.39Å; I395-A399 VanDerWaalsContact O-N 3.12Å; A399-T403 WeakPolarHBondContact O-CG2 3.38Å; A399-T403 PolarHBondContact O-N 3.5Å; A399-T403 PolarHBondContact O-OG1 3.12Å
400F84Confident90.5Very high158 Ų15863.9 Ų63.969%0.69334%0.341SS*.Hα-helixtrans-69.9-51.2-174.1176.7-94.5000113.3M398 V402 T403 S404M398-F400 PolarHBondContact O-N 2.86Å; F400-V402 PolarHBondContact O-N 3.24Å; F400-T403 PolarHBondContact O-N 3.27Å; F400-T403 PolarHBondContact O-OG1 3.42Å; F400-S404 PolarHBondContact O-N 2.96Å
401P87.1Confident90Very high8 Ų869.6 Ų69.65%0.05236%0.363CS..Hα-helixtrans-67.4-35.2179-23.337.6000112.8L326 L397 T403 S404 I405L326-P401 HydrophobicContact CB-CB 3.88Å; L326-P401 HydrophobicContact CB-CG 4.07Å; L326-P401 HydrophobicContact CD1-CB 3.91Å; L326-P401 HydrophobicContact CD1-CG 3.74Å; L326-P401 HydrophobicContact CD2-CB 4.39Å; L326-P401 HydrophobicContact CG-CB 4.28Å; L326-P401 HydrophobicContact CG-CG 4.46Å; L397-P401 WeakPolarHBondContact O-CD 3.33Å; P401-T403 VanDerWaalsContact C-N 3.35Å; P401-T403 PolarHBondContact O-N 3.4Å; P401-S404 PolarHBondContact O-N 3Å; P401-I405 HydrophobicContact CB-CD1 4.48Å; P401-I405 WeakPolarHBondContact O-CB 3.36Å; P401-I405 WeakPolarHBondContact O-CD1 3.25Å; P401-I405 WeakPolarHBondContact O-CG1 3.34Å; P401-I405 PolarHBondContact O-N 3.46Å
402V88.8Confident89.6Confident77 Ų7766.6 Ų66.647%0.46735%0.348SS..Hα-helixtrans-60.4-43.9178.3169.90000111.4M398 F400 I405 F406M398-V402 VanDerWaalsContact O-CB 3.31Å; M398-V402 WeakPolarHBondContact O-CB 3.46Å; M398-V402 WeakPolarHBondContact O-CG2 3.49Å; M398-V402 PolarHBondContact O-N 3.24Å; F400-V402 PolarHBondContact O-N 3.24Å; V402-I405 PolarHBondContact O-N 3.39Å; V402-F406 WeakPolarHBondContact O-CB 3.31Å; V402-F406 PolarHBondContact O-N 3.17Å
403T90.2Very high89.2Confident77 Ų7765.8 Ų65.847%0.47234%0.338SS..Hα-helixtrans-65.5-40.117754.60000112.3A399 F400 P401 F406 H407A399-T403 WeakPolarHBondContact O-CG2 3.38Å; A399-T403 PolarHBondContact O-N 3.5Å; A399-T403 PolarHBondContact O-OG1 3.12Å; F400-T403 PolarHBondContact O-N 3.27Å; F400-T403 PolarHBondContact O-OG1 3.42Å; P401-T403 VanDerWaalsContact C-N 3.35Å; P401-T403 PolarHBondContact O-N 3.4Å; T403-F406 PolarHBondContact O-N 3.34Å; T403-H407 PolarHBondContact O-CD2 3.21Å; T403-H407 PolarHBondContact O-N 2.92Å
404S87.9Confident88.8Confident33 Ų3366.8 Ų66.823%0.23135%0.345CS..Hα-helixtrans-63.7-46175.7-169.70000112.5E322 F400 P401 F406 H407 T408E322-S404 PolarHBondContact OE1-OG 3.23Å; E322-S404 VanDerWaalsContact OE1-OG 3.13Å; E322-S404 VanDerWaalsContact OE2-CB 3.27Å; E322-S404 WeakPolarHBondContact OE2-CB 3.25Å; E322-S404 PolarHBondContact OE2-OG 3.41Å; F400-S404 PolarHBondContact O-N 2.96Å; P401-S404 PolarHBondContact O-N 3Å; S404-F406 VanDerWaalsContact C-N 3.31Å; S404-F406 PolarHBondContact O-N 2.95Å; S404-H407 PolarHBondContact O-N 3.44Å; S404-T408 PolarHBondContact O-N 3.45Å; S404-T408 PolarHBondContact O-OG1 3.04Å
405I89.6Confident88.3Confident27 Ų2769.3 Ų69.314%0.13836%0.357CS..Hα-helixtrans-59.4-44.1175.6-68.2160.5000110C319 F323 P401 V402 H407 T408 F409C319-I405 HydrophobicContact CB-CG1 4.25Å; F323-I405 HydrophobicContact CD1-CD1 3.97Å; F323-I405 HydrophobicContact CD2-CD1 4.06Å; F323-I405 HydrophobicContact CD2-CG1 4.22Å; F323-I405 HydrophobicContact CE1-CD1 3.72Å; F323-I405 HydrophobicContact CE2-CD1 3.81Å; F323-I405 HydrophobicContact CE2-CG1 3.88Å; F323-I405 HydrophobicContact CE2-CG2 3.85Å; F323-I405 HydrophobicContact CG-CD1 4.14Å; F323-I405 HydrophobicContact CZ-CD1 3.64Å; F323-I405 HydrophobicContact CZ-CG1 4.12Å; F323-I405 HydrophobicContact CZ-CG2 3.78Å; P401-I405 HydrophobicContact CB-CD1 4.48Å; P401-I405 WeakPolarHBondContact O-CB 3.36Å; P401-I405 WeakPolarHBondContact O-CD1 3.25Å; P401-I405 WeakPolarHBondContact O-CG1 3.34Å; P401-I405 PolarHBondContact O-N 3.46Å; V402-I405 PolarHBondContact O-N 3.39Å; I405-H407 PolarHBondContact O-N 3.02Å; I405-T408 PolarHBondContact O-N 2.85Å; I405-F409 WeakPolarHBondContact O-CB 3.38Å; I405-F409 PolarHBondContact O-N 3.04Å
406F89.7Confident87.8Confident128 Ų12866.5 Ų66.556%0.56134%0.343SS*.Hα-helixtrans-61.3-44.4177.3177.1-99.5000112.5V402 T403 S404 T408 F409 S410V402-F406 WeakPolarHBondContact O-CB 3.31Å; V402-F406 PolarHBondContact O-N 3.17Å; T403-F406 PolarHBondContact O-N 3.34Å; S404-F406 VanDerWaalsContact C-N 3.31Å; S404-F406 PolarHBondContact O-N 2.95Å; F406-T408 PolarHBondContact O-N 3.08Å; F406-F409 WeakPolarHBondContact O-CB 3.27Å; F406-F409 PolarHBondContact O-N 3.38Å; F406-S410 WeakPolarHBondContact O-CB 3.23Å; F406-S410 PolarHBondContact O-N 3.27Å
407H89.3Confident87.5Confident130 Ų13065.7 Ų65.760%0.60233%0.334SS*.Hα-helixtrans-62.7-42.5176.8-84.1-63.3000112.4T403 S404 I405 F409 S410 R411T403-H407 PolarHBondContact O-CD2 3.21Å; T403-H407 PolarHBondContact O-N 2.92Å; S404-H407 PolarHBondContact O-N 3.44Å; I405-H407 PolarHBondContact O-N 3.02Å; H407-F409 VanDerWaalsContact C-N 3.32Å; H407-S410 PolarHBondContact O-N 3.25Å; H407-R411 WeakPolarHBondContact O-CB 3.22Å; H407-R411 PolarHBondContact O-N 3.31Å
408T87.3Confident87.2Confident31 Ų3167.8 Ų67.819%0.1934%0.342CS..Hα-helixtrans-67.3-35.8176.3-59.90000111.8R318 C319 S404 I405 F406 S412R318-T408 HydrophobicContact CB-CG2 4Å; C319-T408 WeakPolarHBondContact SG-CB 3.49Å; C319-T408 WeakPolarHBondContact SG-CG2 3.31Å; C319-T408 PolarHBondContact SG-OG1 3.06Å; C319-T408 VanDerWaalsContact SG-OG1 3.34Å; S404-T408 PolarHBondContact O-N 3.45Å; S404-T408 PolarHBondContact O-OG1 3.04Å; I405-T408 PolarHBondContact O-N 2.85Å; F406-T408 PolarHBondContact O-N 3.08Å; T408-S412 WeakPolarHBondContact O-CB 3.37Å; T408-S412 PolarHBondContact O-N 2.89Å; T408-S412 PolarHBondContact O-OG 3.45Å
409F88.8Confident86.7Confident56 Ų5671 Ų7125%0.24636%0.357CS..Hα-helixtrans-59.2-56.2171.6175.4-101.5000112.4L312 T315 I405 F406 H407 R411 S412 Y413L312-F409 HydrophobicContact CD2-CD2 3.68Å; L312-F409 HydrophobicContact CD2-CE2 3.54Å; L312-F409 HydrophobicContact CD2-CZ 4.35Å; L312-F409 HydrophobicContact CG-CD2 4.29Å; L312-F409 HydrophobicContact CG-CE2 3.76Å; T315-F409 VanDerWaalsContact CG2-CA 3.42Å; T315-F409 HydrophobicContact CG2-CB 4.16Å; T315-F409 HydrophobicContact CG2-CD2 4.1Å; I405-F409 WeakPolarHBondContact O-CB 3.38Å; I405-F409 PolarHBondContact O-N 3.04Å; F406-F409 WeakPolarHBondContact O-CB 3.27Å; F406-F409 PolarHBondContact O-N 3.38Å; H407-F409 VanDerWaalsContact C-N 3.32Å; F409-R411 VanDerWaalsContact C-N 3.25Å; F409-R411 PolarHBondContact O-N 2.87Å; F409-S412 PolarHBondContact O-N 2.89Å; F409-Y413 HydrophobicContact CZ-CD2 4.43Å; F409-Y413 VanDerWaalsContact O-CB 3.31Å; F409-Y413 WeakPolarHBondContact O-CB 3.41Å; F409-Y413 PolarHBondContact O-N 2.79Å
410S89.5Confident86.1Confident54 Ų5472 Ų7238%0.37835%0.352SS..Hα-helixtrans-55.4-42.5179.1179.50000112F406 H407 S414F406-S410 WeakPolarHBondContact O-CB 3.23Å; F406-S410 PolarHBondContact O-N 3.27Å; H407-S410 PolarHBondContact O-N 3.25Å; S410-S414 WeakPolarHBondContact O-CB 3.41Å; S410-S414 PolarHBondContact O-N 3.01Å; S410-S414 PolarHBondContact O-OG 3.01Å
411R86.4Confident85.8Confident120 Ų12069.6 Ų69.645%0.45334%0.343SS..Hα-helixtrans-63.3-52.4176.1-177.6180177.7154.512.3112.4H407 F409 Y413 S414 E415H407-R411 WeakPolarHBondContact O-CB 3.22Å; H407-R411 PolarHBondContact O-N 3.31Å; F409-R411 VanDerWaalsContact C-N 3.25Å; F409-R411 PolarHBondContact O-N 2.87Å; R411-Y413 VanDerWaalsContact C-N 3.29Å; R411-Y413 PolarHBondContact O-N 3.09Å; R411-S414 PolarHBondContact O-N 3.32Å; R411-E415 WeakPolarHBondContact CG-OE1 3.35Å; R411-E415 IonicContact CZ-OE1 3.41Å; R411-E415 IonicContact NE-OE1 2.86Å; R411-E415 PolarHBondContact NE-OE1 3.28Å; R411-E415 IonicContact NH2-OE1 2.79Å; R411-E415 WeakPolarHBondContact O-CG 3.25Å; R411-E415 PolarHBondContact O-N 2.98Å
412S85.4Confident85.3Confident2 Ų276.8 Ų76.81%0.01437%0.369CS..Hα-helixtrans-66.9-33.1-177.1-52.70000111.9T315 R318 T408 F409 L416T315-S412 VanDerWaalsContact CG2-OG 3.23Å; T315-S412 WeakPolarHBondContact CG2-OG 3.43Å; R318-S412 PolarHBondContact NH1-OG 3.4Å; T408-S412 WeakPolarHBondContact O-CB 3.37Å; T408-S412 PolarHBondContact O-N 2.89Å; T408-S412 PolarHBondContact O-OG 3.45Å; F409-S412 PolarHBondContact O-N 2.89Å; S412-L416 WeakPolarHBondContact O-CB 3.37Å; S412-L416 WeakPolarHBondContact O-CD1 3.24Å; S412-L416 VanDerWaalsContact O-CG 3.3Å; S412-L416 WeakPolarHBondContact O-CG 3.43Å; S412-L416 PolarHBondContact O-N 2.81Å; S412-L416 VanDerWaalsContact O-N 3.08Å
413Y86.9Confident84.2Confident87 Ų8777.2 Ų77.234%0.34138%0.381SS..Hα-helixtrans-63-46.8172.1-177.6-97.7000111.7L307 S311 F409 R411 L416 K417L307-Y413 HydrophobicContact CD2-CE2 4.01Å; S311-Y413 VanDerWaalsContact OG-CA 3.28Å; S311-Y413 WeakPolarHBondContact OG-CA 3.48Å; S311-Y413 WeakPolarHBondContact OG-CB 3.2Å; S311-Y413 PolarHBondContact OG-N 2.99Å; F409-Y413 HydrophobicContact CZ-CD2 4.43Å; F409-Y413 VanDerWaalsContact O-CB 3.31Å; F409-Y413 WeakPolarHBondContact O-CB 3.41Å; F409-Y413 PolarHBondContact O-N 2.79Å; R411-Y413 VanDerWaalsContact C-N 3.29Å; R411-Y413 PolarHBondContact O-N 3.09Å; Y413-L416 PolarHBondContact O-N 3.4Å; Y413-K417 HydrophobicContact CE1-CD 4.37Å; Y413-K417 WeakPolarHBondContact O-CB 3Å; Y413-K417 PolarHBondContact O-N 3.14Å
414S85.5Confident83Confident54 Ų5477.2 Ų77.238%0.37838%0.381SS..Hα-helixtrans-63.1-44.4178.2-57.10000111.7S410 R411 L416 K417 E418S410-S414 WeakPolarHBondContact O-CB 3.41Å; S410-S414 PolarHBondContact O-N 3.01Å; S410-S414 PolarHBondContact O-OG 3.01Å; R411-S414 PolarHBondContact O-N 3.32Å; S414-L416 PolarHBondContact O-N 3.2Å; S414-K417 PolarHBondContact O-N 3.25Å; S414-E418 WeakPolarHBondContact O-CG 3.39Å; S414-E418 PolarHBondContact O-N 3.39Å
415E83.8Confident81.8Confident52 Ų5279.4 Ų79.424%0.24340%0.396CS..Hα-helixtrans-58.9-47176.2-73.5171.4-173.600112R318 R411 E418 Q419R318-E415 IonicContact CZ-OE2 3.99Å; R318-E415 IonicContact NH1-OE2 3.52Å; R318-E415 PolarHBondContact NH1-OE2 2.87Å; R318-E415 IonicContact NH2-OE2 3.89Å; R318-E415 PolarHBondContact NH2-OE2 3.46Å; R411-E415 WeakPolarHBondContact CG-OE1 3.35Å; R411-E415 IonicContact CZ-OE1 3.41Å; R411-E415 IonicContact NE-OE1 2.86Å; R411-E415 PolarHBondContact NE-OE1 3.28Å; R411-E415 IonicContact NH2-OE1 2.79Å; R411-E415 WeakPolarHBondContact O-CG 3.25Å; R411-E415 PolarHBondContact O-N 2.98Å; E415-E418 PolarHBondContact O-N 2.57Å; E415-Q419 WeakPolarHBondContact O-CG 3.47Å; E415-Q419 PolarHBondContact O-N 3.42Å
416L82.6Confident80.2Confident28 Ų2883.8 Ų83.815%0.14743%0.426CS..Hα-helixtrans-66.4-38177.9-73.6167.6000112.5L307 L314 S412 Y413 S414 Q419 Q420L307-L416 HydrophobicContact CD1-CB 3.88Å; L307-L416 HydrophobicContact CG-CB 4.41Å; L314-L416 HydrophobicContact CD1-CD1 3.72Å; L314-L416 HydrophobicContact CD1-CD2 3.85Å; L314-L416 HydrophobicContact CD1-CG 4.21Å; S412-L416 WeakPolarHBondContact O-CB 3.37Å; S412-L416 WeakPolarHBondContact O-CD1 3.24Å; S412-L416 VanDerWaalsContact O-CG 3.3Å; S412-L416 WeakPolarHBondContact O-CG 3.43Å; S412-L416 PolarHBondContact O-N 2.81Å; S412-L416 VanDerWaalsContact O-N 3.08Å; Y413-L416 PolarHBondContact O-N 3.4Å; S414-L416 PolarHBondContact O-N 3.2Å; L416-Q419 PolarHBondContact O-N 3.47Å; L416-Q420 WeakPolarHBondContact O-CB 3.49Å; L416-Q420 PolarHBondContact O-N 2.9Å
417K85.4Confident78.1Confident101 Ų10185.8 Ų85.844%0.43944%0.437SS..Hα-helixtrans-63.4-44176.9-173.4-179.2178.8-1750110.9L307 Y413 S414 Q420 Q421L307-K417 HydrophobicContact CD2-CB 4.17Å; Y413-K417 HydrophobicContact CE1-CD 4.37Å; Y413-K417 WeakPolarHBondContact O-CB 3Å; Y413-K417 PolarHBondContact O-N 3.14Å; S414-K417 PolarHBondContact O-N 3.25Å; K417-Q420 PolarHBondContact O-N 3.32Å; K417-Q421 WeakPolarHBondContact O-CG 3.13Å; K417-Q421 PolarHBondContact O-N 2.96Å
418E83.8Confident75.9Confident96 Ų9684.5 Ų84.545%0.44944%0.44SS..Hα-helixtrans-62.8-43.4175.1-75.7-177-163.200112S414 E415 Q420 Q421 R422S414-E418 WeakPolarHBondContact O-CG 3.39Å; S414-E418 PolarHBondContact O-N 3.39Å; E415-E418 PolarHBondContact O-N 2.57Å; E418-Q420 VanDerWaalsContact C-N 3.34Å; E418-Q420 PolarHBondContact O-N 2.97Å; E418-Q421 PolarHBondContact O-N 3.46Å; E418-R422 WeakPolarHBondContact O-CG 3.38Å; E418-R422 PolarHBondContact O-N 2.88Å; E418-R422 IonicContact OE2-NH2 2.96Å; E418-R422 PolarHBondContact OE2-NH2 3.34Å
419Q79.2Confident73.7Confident119 Ų11987 Ų8756%0.55647%0.465SS*.Hα-helixtrans-60.6-43.4176.1-74.1176.2-700111.8E415 L416 R422 A423E415-Q419 WeakPolarHBondContact O-CG 3.47Å; E415-Q419 PolarHBondContact O-N 3.42Å; L416-Q419 PolarHBondContact O-N 3.47Å; Q419-R422 PolarHBondContact O-N 3.37Å; Q419-A423 WeakPolarHBondContact O-CB 3.38Å; Q419-A423 PolarHBondContact O-N 2.97Å
420Q76.9Confident71.5Confident73 Ų7390.9 Ų90.934%0.34149%0.487SS..Hα-helixtrans-65.1-39.2176.5-173.1175-14.800111.8H172 L307 L416 K417 E418 A423 T424H172-Q420 PolarHBondContact NE2-NE2 3.13Å; H172-Q420 VanDerWaalsContact NE2-NE2 3.17Å; L307-Q420 VanDerWaalsContact CD1-OE1 3.29Å; L416-Q420 WeakPolarHBondContact O-CB 3.49Å; L416-Q420 PolarHBondContact O-N 2.9Å; K417-Q420 PolarHBondContact O-N 3.32Å; E418-Q420 VanDerWaalsContact C-N 3.34Å; E418-Q420 PolarHBondContact O-N 2.97Å; Q420-A423 PolarHBondContact O-N 3.45Å; Q420-T424 WeakPolarHBondContact O-CB 3.45Å; Q420-T424 PolarHBondContact O-N 3.42Å; Q420-T424 PolarHBondContact O-OG1 3.44Å
421Q78.8Confident69.1Low108 Ų10898.5 Ų98.551%0.50551%0.507SS..Hα-helixtrans-63.1-46.3174.3-75.7176.9-21.800111.6K417 E418 A423 T424 S425K417-Q421 WeakPolarHBondContact O-CG 3.13Å; K417-Q421 PolarHBondContact O-N 2.96Å; E418-Q421 PolarHBondContact O-N 3.46Å; Q421-A423 VanDerWaalsContact C-N 3.31Å; Q421-A423 PolarHBondContact O-N 3.45Å; Q421-T424 CarbonylContact O-C 3.52Å; Q421-T424 PolarHBondContact O-N 2.89Å; Q421-S425 PolarHBondContact O-N 3.15Å; Q421-S425 PolarHBondContact O-OG 2.98Å
422R74.9Confident67.1Low159 Ų159101.2 Ų101.260%0.653%0.525SS*.Hα-helixtrans-61.1-38.9176.2-71.6-177.6-166.7152.513.1112.5E418 Q419 T424E418-R422 WeakPolarHBondContact O-CG 3.38Å; E418-R422 PolarHBondContact O-N 2.88Å; E418-R422 IonicContact OE2-NH2 2.96Å; E418-R422 PolarHBondContact OE2-NH2 3.34Å; Q419-R422 PolarHBondContact O-N 3.37Å; R422-T424 PolarHBondContact O-N 2.83Å
423A66.7Low64.9Low86 Ų86106.6 Ų106.671%0.71155%0.554SS**Hα-helixtrans-69.5-22.1175.800000113.4Q419 Q420 Q421Q419-A423 WeakPolarHBondContact O-CB 3.38Å; Q419-A423 PolarHBondContact O-N 2.97Å; Q420-A423 PolarHBondContact O-N 3.45Å; Q421-A423 VanDerWaalsContact C-N 3.31Å; Q421-A423 PolarHBondContact O-N 3.45Å
424T65.3Low62.6Low78 Ų78106.8 Ų106.848%0.47957%0.568SS.*Hα-helixtrans-94.2-26179.1-46.50000112.1H172 Q420 Q421 R422 P426H172-T424 HydrophobicContact CB-CG2 4.39Å; Q420-T424 WeakPolarHBondContact O-CB 3.45Å; Q420-T424 PolarHBondContact O-N 3.42Å; Q420-T424 PolarHBondContact O-OG1 3.44Å; Q421-T424 CarbonylContact O-C 3.52Å; Q421-T424 PolarHBondContact O-N 2.89Å; R422-T424 PolarHBondContact O-N 2.83Å; T424-P426 WeakPolarHBondContact O-CD 3.39Å
425S62.8Low60.4Low78 Ų78109.2 Ų109.255%0.54558%0.581SS.*SBendtrans-68.3120.6174.3-69.70000109.9Q421 E427Q421-S425 PolarHBondContact O-N 3.15Å; Q421-S425 PolarHBondContact O-OG 2.98Å; S425-E427 PolarHBondContact O-N 3.04Å
426P54.5Low58.3Low119 Ų119116.7 Ų116.777%0.77361%0.607SS**PPolyproline II helixtrans-60.5126.2169.124.5-30.1000108.3T424T424-P426 WeakPolarHBondContact O-CD 3.39Å
427E46.8Very low56.1Low171 Ų171119.7 Ų119.780%0.79963%0.63SS**PPolyproline II helixtrans-51.4125173.9-150.5-175.8150.100108.9S425 A429S425-E427 PolarHBondContact O-N 3.04Å; E427-A429 PolarHBondContact O-N 3.13Å
428P42.1Very low53.9Low102 Ų102118.3 Ų118.366%0.66264%0.638SS**  trans-76.868.8175.432-32.5000109L430P428-L430 PolarHBondContact O-N 2.99Å
429A42.2Very low51.7Low85 Ų85119.6 Ų119.670%0.70265%0.652SS**THydrogen-bonded Turntrans-72.32617400000113.1E427E427-A429 PolarHBondContact O-N 3.13Å
430L42.3Very low49.7Very low137 Ų137117.9 Ų117.972%0.71766%0.658SS**THydrogen-bonded Turntrans-135.522-174.5-83.1164.6000113.5P428P428-L430 PolarHBondContact O-N 2.99Å
431R39.5Very low47.8Very low213 Ų213120 Ų12080%0.80468%0.677SS**SBendtrans-95.7-0.3173.5-87.6-171172.6177.2-2115.3
432E43.2Very low45.6Very low177 Ų177123.8 Ų123.883%0.82769%0.694SS**SBendtrans-88.2-10.2174.4-72.2-171.2138.500114.1
433D39.9Very low43.6Very low115 Ų115123.9 Ų123.962%0.61571%0.707SS**SBendtrans-91.6-21.1-179.9-106.7-9000114.2
434S37.8Very low42Very low92 Ų92125.3 Ų125.364%0.64371%0.712SS**THydrogen-bonded Turntrans-80.9-20.7-178.5-63.60000114.1
435T40.9Very low40.3Very low105 Ų105127.5 Ų127.564%0.64473%0.73SS**THydrogen-bonded Turntrans-81.5-14.2175.626.60000113.5
436R39.5Very low38.7Very low208 Ų208133.4 Ų133.479%0.78575%0.749SS**THydrogen-bonded Turntrans-87.8-19.9174.4-106.6-179.8162159.5-3.5114.2T439R436-T439 PolarHBondContact O-OG1 3.36Å
437S36Very low37.4Very low92 Ų92131.2 Ų131.264%0.64375%0.748SS**SBendtrans-90.9-12.2179.7-159.20000113.7
438A38Very low37.4Very low72 Ų72128.6 Ų128.660%0.59575%0.746SS**SBendtrans-87.2-15.2178.300000113.5
439T38Very low36.7Very low122 Ų122131.7 Ų131.775%0.74876%0.757SS**THydrogen-bonded Turntrans-90.87.618037.80000114.3R436R436-T439 PolarHBondContact O-OG1 3.36Å
440A36.9Very low36Very low83 Ų83131.4 Ų131.469%0.68676%0.762SS**THydrogen-bonded Turntrans-111.13.7-176.800000115.1
441T37Very low35.3Very low119 Ų119130.2 Ų130.273%0.7377%0.772SS**SBendtrans-137.534.7-17535.10000114.5
442E33.4Very low34.7Very low186 Ų186123.6 Ų123.687%0.86977%0.77SS**  trans-135.869.5165.8-72.5-173.2163.200109.4
443D33.2Very low33.9Very low161 Ų161124.5 Ų124.586%0.86178%0.775SS**  trans-143.265.6165-145.610.5000109.4
444S31.8Very low33.3Very low117 Ų117124.1 Ų124.182%0.81879%0.787SS**  trans-175.2100.6159.380000111
445S30.6Very low32.8Very low124 Ų124124.6 Ų124.687%0.86780%0.796SS**  161.6129.3124.259.80000111.9
446Q29.7Very low32.2Very low202 Ų202127.6 Ų127.694%0.94481%0.809SS**  trans-71.4154.9177.2-65.5161.6-2000113.2
447G26.1Very low31.7Very low73 Ų73123.4 Ų123.475%0.75381%0.811SS**  trans122.8148.4140.500000117.3
448P47.7Very low31.3Very low116 Ų116123.5 Ų123.575%0.75382%0.817SS**  trans-113.2-177.5-140.739.1-26.7000115.7
449D27.1Very low30.8Very low166 Ų166128.1 Ų128.189%0.88883%0.832SS**  trans94.8130.3163-59.4-25.9000119.1
450G26.8Very low30.4Very low79 Ų79127 Ų12781%0.81484%0.836SS**  trans152.98716300000115.3
451A28.4Very low30Very low113 Ų113130.4 Ų130.493%0.93484%0.841SS**  trans-62.9150.7168.200000113
452G26.3Very low29.7Very low73 Ų73135.3 Ų135.375%0.75385%0.847SS**  trans169.484167.600000116.8
453Q27.2Very low29.6Very low197 Ų197133.5 Ų133.592%0.92185%0.848SS**  trans20.2120141.6-68.7166.9-12.200120.3
454A27.3Very low29.4Very low107 Ų107137.8 Ų137.888%0.88485%0.852SS**  trans-172.894.2136.400000111.3
455A26.6Very low29.4Very low101 Ų101137 Ų13784%0.83585%0.852SS**  trans-161.480.1162.300000110.3
456D28.3Very low29.5Very low168 Ų168140.3 Ų140.390%0.89885%0.854SS**  trans-132.486.1167.6-115.4-12.7000108.6
457S29.3Very low29.5Very low120 Ų120146 Ų14684%0.83987%0.867SS**SBendtrans-178.367157.663.40000111.2
458A27.7Very low29.7Very low94 Ų94149.7 Ų149.778%0.77787%0.873SS**  trans-151.77.9169.500000116
459D27.5Very low28.7Very low169 Ų169151.5 Ų151.590%0.90488%0.879SS**  trans-92.911.3-171.9-99.2-7.4000116
460A29.6Very low28.8Very low99 Ų99150.7 Ų150.782%0.81888%0.879SS**SBendtrans-98.824.3-170.800000116.7
461L29.3Very low28.9Very low155 Ų155154.9 Ų154.981%0.81288%0.883SS**SBendtrans-138.719.2-172.7-97.6164.5000118.8
462W29.2Very low29Very low222 Ų222157.5 Ų157.584%0.84188%0.879SS**  trans-128.630.6-176.8-79.1104.7000117.9
463V31.4Very low29.2Very low148 Ų148163.1 Ų163.190%0.89789%0.888SS**  trans-118.238.2178.2-170.90000114.2
464R30.1Very low29.3Very low251 Ų251160.7 Ų160.795%0.94789%0.885SS**  trans-150.273.5170.5-126.3179.5-159.9170.15.6114.1
465A30.6Very low29.5Very low99 Ų99164.8 Ų164.882%0.81889%0.886SS**  trans-157.748.1160.800000111.9
466E33.9Very low29.7Very low195 Ų195170.2 Ų170.291%0.91189%0.89SS**  trans-139.687.4154.9-83.3-171.2158.800108
467R29.6Very low29.8Very low322 Ų322170.4 Ų170.4100%1.21589%0.889SS**  trans-162.80143.9-103-176.7-152.9-165.85.4108.9

Retrieved 467 of 467 residues in 225.5 ms (Link to these results)