A0A077ZM68_TRITR Loading...

Cmyb C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 462 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low42Very low239 Ų239120.3 Ų120.3100%1.17763%0.634SS**  01440-66.8173.4174.400108.7
2H41.3Very low41.5Very low166 Ų166114.7 Ų114.777%0.76961%0.608SS**  trans-95.4108.1173.2-72.2-63000110.2
3G35.4Very low41.6Very low30 Ų30108.9 Ų108.931%0.30959%0.587SS.*EExtended strand (participates in β ladder)trans-80.4117.8171.800000111
4V42.1Very low41.4Very low86 Ų86102.4 Ų102.452%0.52155%0.553SS.*EExtended strand (participates in β ladder)trans-103.1116.6166.5-178.60000107.3F17V4-F17 HydrophobicContact CG1-CE1 4.34Å; V4-F17 HydrophobicContact CG1-CZ 4.31Å; V4-F17 HydrophobicContact CG2-CD1 4.08Å; V4-F17 HydrophobicContact CG2-CE1 3.73Å; V4-F17 HydrophobicContact CG2-CZ 4.46Å
5F40Very low41.6Very low121 Ų12197.3 Ų97.353%0.53153%0.528SS..EExtended strand (participates in β ladder)trans-107.1114.2177.9-68.1-87.7000109.7I16 L18F5-I16 HydrophobicContact CB-CB 4.35Å; F5-I16 PolarHBondContact N-O 3Å; F5-I16 VanDerWaalsContact N-O 3.12Å; F5-I16 PolarHBondContact O-N 3.23Å; F5-L18 HydrophobicContact CD2-CD1 4.16Å; F5-L18 HydrophobicContact CE2-CD1 3.99Å
6E38.7Very low41.5Very low132 Ų13292 Ų9262%0.61750%0.5SS*.EExtended strand (participates in β ladder)trans-92.3118.7175.8-166.7162.8-135.200110.8
7L39.3Very low41.6Very low42 Ų4291.6 Ų91.622%0.2249%0.492CS..EExtended strand (participates in β ladder)trans-110.195.5177.2-73.9174.7000109.6L9 C14 I16L7-L9 PolarHBondContact O-N 2.94Å; L7-C14 HydrophobicContact CB-CB 4.43Å; L7-C14 PolarHBondContact N-O 3.24Å; L7-C14 PolarHBondContact O-N 2.94Å; L7-I16 HydrophobicContact CD1-CD1 3.67Å; L7-I16 HydrophobicContact CD1-CG1 4.27Å
8S40.2Very low41.7Very low79 Ų7990.3 Ų90.355%0.55249%0.485SS*.EExtended strand (participates in β ladder)trans-69.3116.6163.8-62.90000110.2
9L39.8Very low41.8Very low104 Ų10488 Ų8855%0.54548%0.475SS..EExtended strand (participates in β ladder)trans-118.486.6173.3-85.5155.8000107.5L7 R11 T12L7-L9 PolarHBondContact O-N 2.94Å; L9-R11 PolarHBondContact O-N 2.96Å; L9-T12 PolarHBondContact N-O 3.26Å; L9-T12 WeakPolarHBondContact O-CB 3.49Å; L9-T12 PolarHBondContact O-N 3.31Å; L9-T12 VanDerWaalsContact O-N 3.1Å; L9-T12 PolarHBondContact O-OG1 3.27Å
10G62.1Low41.9Very low78 Ų7890.1 Ų90.180%0.80449%0.491SS*.THydrogen-bonded Turntrans62.2-122.5-17500000112.1T12G10-T12 PolarHBondContact O-N 3.09Å
11R42.6Very low42.3Very low246 Ų24692.4 Ų92.493%0.92850%0.503SS*.THydrogen-bonded Turntrans-81.26.8177-66.4-176.1177.4177-0114L9L9-R11 PolarHBondContact O-N 2.96Å
12T36.5Very low42.7Very low53 Ų5388.5 Ų88.533%0.32548%0.479SS..EExtended strand (participates in β ladder)trans-115.5124.3-175-3.20000110L9 G10 P30L9-T12 PolarHBondContact N-O 3.26Å; L9-T12 WeakPolarHBondContact O-CB 3.49Å; L9-T12 PolarHBondContact O-N 3.31Å; L9-T12 VanDerWaalsContact O-N 3.1Å; L9-T12 PolarHBondContact O-OG1 3.27Å; G10-T12 PolarHBondContact O-N 3.09Å; T12-P30 HydrophobicContact CG2-CG 4.46Å
13A42Very low43Very low40 Ų4082.9 Ų82.933%0.33146%0.458SS..EExtended strand (participates in β ladder)trans-102117.1171.700000109.2
14C39.8Very low43.5Very low17 Ų1785.1 Ų85.112%0.11546%0.461CS..EExtended strand (participates in β ladder)trans-107128.6175.9-68.70000109.7L7L7-C14 HydrophobicContact CB-CB 4.43Å; L7-C14 PolarHBondContact N-O 3.24Å; L7-C14 PolarHBondContact O-N 2.94Å
15S44.3Very low43.6Very low26 Ų2682.1 Ų82.118%0.18244%0.442CS..EExtended strand (participates in β ladder)trans-106.6111.6178.7-48.40000109.4C26S15-C26 PolarHBondContact N-O 3.18Å; S15-C26 PolarHBondContact O-N 3.47Å
16I40.2Very low43.9Very low13 Ų1377.7 Ų77.77%0.06743%0.426CS..EExtended strand (participates in β ladder)trans-85.4123172.1-51.8-171000108.3F5 L7 L18 L25F5-I16 HydrophobicContact CB-CB 4.35Å; F5-I16 PolarHBondContact N-O 3Å; F5-I16 VanDerWaalsContact N-O 3.12Å; F5-I16 PolarHBondContact O-N 3.23Å; L7-I16 HydrophobicContact CD1-CD1 3.67Å; L7-I16 HydrophobicContact CD1-CG1 4.27Å; I16-L18 HydrophobicContact CG2-CD2 3.94Å; I16-L18 HydrophobicContact CG2-CG 4.17Å; I16-L25 HydrophobicContact CD1-CD1 4.39Å; I16-L25 HydrophobicContact CG1-CD1 3.84Å
17F42.2Very low44.1Very low86 Ų8674.1 Ų74.138%0.37741%0.41SS..EExtended strand (participates in β ladder)trans-103.6126.1171.2-75.4-91.4000109.3V4 P19 M24 C26V4-F17 HydrophobicContact CG1-CE1 4.34Å; V4-F17 HydrophobicContact CG1-CZ 4.31Å; V4-F17 HydrophobicContact CG2-CD1 4.08Å; V4-F17 HydrophobicContact CG2-CE1 3.73Å; V4-F17 HydrophobicContact CG2-CZ 4.46Å; F17-P19 VanDerWaalsContact C-CD 3.42Å; F17-P19 WeakPolarHBondContact O-CD 3.44Å; F17-M24 PolarHBondContact N-O 3.03Å; F17-M24 VanDerWaalsContact N-O 3.16Å; F17-M24 PolarHBondContact O-N 3.29Å; F17-M24 VanDerWaalsContact O-N 3.07Å; F17-M24 VanDerWaalsContact O-O 3.05Å; F17-C26 HydrophobicContact CD2-CB 4.19Å; F17-C26 HydrophobicContact CE2-CB 4.49Å
18L43.4Very low44.3Very low68 Ų6879.8 Ų79.836%0.35643%0.429SS..EExtended strand (participates in β ladder)trans-112.484.6174.9-60.8179.4000110.3F5 I16 P23 L110F5-L18 HydrophobicContact CD2-CD1 4.16Å; F5-L18 HydrophobicContact CE2-CD1 3.99Å; I16-L18 HydrophobicContact CG2-CD2 3.94Å; I16-L18 HydrophobicContact CG2-CG 4.17Å; L18-P23 HydrophobicContact CD2-CB 3.77Å; L18-L110 HydrophobicContact CD2-CD2 4.49Å
19P44.3Very low44.1Very low46 Ų4678 Ų7830%0.29942%0.415SS..  trans-58.8147.8153.3-1326.7000109.4F17 D21 K22 M24F17-P19 VanDerWaalsContact C-CD 3.42Å; F17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-D21 PolarHBondContact O-N 2.8Å; P19-K22 WeakPolarHBondContact CD-O 3.31Å; P19-K22 WeakPolarHBondContact CG-O 3.35Å; P19-M24 HydrophobicContact CG-CE 4.07Å
20T44.4Very low44.1Very low130 Ų13075.8 Ų75.880%0.79841%0.407SS*.SBendtrans-55.6-34.6-179.243.10000113.3
21D48.6Very low43.4Very low138 Ų13881 Ų8174%0.73841%0.408SS*.SBendtrans-100-27.6-164.6-42.5-20.6000112.8P19P19-D21 PolarHBondContact O-N 2.8Å
22K50.6Low43.4Very low157 Ų15774.3 Ų74.368%0.68339%0.389SS*.SBendtrans-152.3108.2-171.1-64.1178.2-174.7159.20110.6P19P19-K22 WeakPolarHBondContact CD-O 3.31Å; P19-K22 WeakPolarHBondContact CG-O 3.35Å
23P45.9Very low43.5Very low48 Ų4877.4 Ų77.431%0.31241%0.411SS..  trans-68.2139.8177.828.6-34.8000111.3L18 L110L18-P23 HydrophobicContact CD2-CB 3.77Å; P23-L110 HydrophobicContact CB-CD2 3.73Å; P23-L110 HydrophobicContact CG-CD2 4.09Å
24M45.8Very low43.4Very low77 Ų7780.9 Ų80.938%0.37942%0.424SS..EExtended strand (participates in β ladder)trans-128.9126.4178.3-65.3-165.1-6600111.5F17 P19 V102F17-M24 PolarHBondContact N-O 3.03Å; F17-M24 VanDerWaalsContact N-O 3.16Å; F17-M24 PolarHBondContact O-N 3.29Å; F17-M24 VanDerWaalsContact O-N 3.07Å; F17-M24 VanDerWaalsContact O-O 3.05Å; P19-M24 HydrophobicContact CG-CE 4.07Å; M24-V102 HydrophobicContact SD-CG1 4.32Å
25L44.8Very low43.5Very low23 Ų2386.1 Ų86.112%0.1244%0.442CS..EExtended strand (participates in β ladder)trans-91.9114.1170.6-178.164.3000109.3I16 I27 I103 I105I16-L25 HydrophobicContact CD1-CD1 4.39Å; I16-L25 HydrophobicContact CG1-CD1 3.84Å; L25-I27 HydrophobicContact CD2-CD1 4Å; L25-I27 HydrophobicContact CD2-CG1 4.02Å; L25-I27 HydrophobicContact CG-CD1 4.46Å; L25-I27 HydrophobicContact CG-CG1 3.95Å; L25-I103 PolarHBondContact O-N 2.93Å; L25-I105 HydrophobicContact CB-CD1 3.96Å; L25-I105 HydrophobicContact CD2-CD1 3.57Å; L25-I105 HydrophobicContact CG-CD1 4.41Å
26C45.4Very low43.5Very low28 Ų2889.4 Ų89.419%0.18947%0.465CS..EExtended strand (participates in β ladder)trans-102.6102.8174-65.40000109.3S15 F17S15-C26 PolarHBondContact N-O 3.18Å; S15-C26 PolarHBondContact O-N 3.47Å; F17-C26 HydrophobicContact CD2-CB 4.19Å; F17-C26 HydrophobicContact CE2-CB 4.49Å
27I43.3Very low43.3Very low58 Ų5894.8 Ų94.830%0.29749%0.493SS..EExtended strand (participates in β ladder)trans-89.3121.3174.7-55.8179.2000108.2L25 I103L25-I27 HydrophobicContact CD2-CD1 4Å; L25-I27 HydrophobicContact CD2-CG1 4.02Å; L25-I27 HydrophobicContact CG-CD1 4.46Å; L25-I27 HydrophobicContact CG-CG1 3.95Å; I27-I103 HydrophobicContact CD1-CD1 3.92Å
28R43.1Very low43.1Very low161 Ų16196.9 Ų96.961%0.60851%0.507SS*.  trans-103.2111.1176-158.2176.4-160.9155.27.9108.9
29P37.7Very low42.8Very low42 Ų4295.9 Ų95.927%0.27351%0.509SS..  trans-64144179.525.6-33.1000110.6
30P39.8Very low42.6Very low57 Ų5796 Ų9637%0.3751%0.514SS..  trans-64.7151.6177.227.5-33.5000110.7T12 L32T12-P30 HydrophobicContact CG2-CG 4.46Å; P30-L32 VanDerWaalsContact C-N 3.27Å; P30-L32 HydrophobicContact CG-CG 4.36Å; P30-L32 PolarHBondContact O-N 3.39Å
31K46.1Very low42.4Very low188 Ų18894.3 Ų94.382%0.81750%0.503SS*.  trans-69.980.6175.7-69.4-179.8179.6174.70110.7
32L43Very low42Very low104 Ų10490.2 Ų90.255%0.54549%0.489SS..  trans-82.6140.4169.2-66.9173.9000109.9P30 N34P30-L32 VanDerWaalsContact C-N 3.27Å; P30-L32 HydrophobicContact CG-CG 4.36Å; P30-L32 PolarHBondContact O-N 3.39Å; L32-N34 VanDerWaalsContact C-N 3.34Å; L32-N34 PolarHBondContact O-N 2.85Å
33P38.3Very low41.6Very low118 Ų11887.6 Ų87.677%0.76648%0.482SS*.SBendtrans-75.1-19.3-17428.5-34.8000114.4
34N40.6Very low41.4Very low114 Ų11490.8 Ų90.861%0.6150%0.496SS*.  trans-112.586.4-173-65.8-8.5000111.2L32 S36L32-N34 VanDerWaalsContact C-N 3.34Å; L32-N34 PolarHBondContact O-N 2.85Å; N34-S36 VanDerWaalsContact C-N 3.34Å
35Y41.7Very low41Very low127 Ų12790.2 Ų90.250%0.49850%0.504SS..Hα-helixtrans-71.3-24.1179.8-96.2-104.3000114.3L37 A39Y35-L37 PolarHBondContact O-N 2.93Å; Y35-A39 PolarHBondContact O-N 3.02Å
36S43.2Very low40.8Very low95 Ų9593.3 Ų93.366%0.66452%0.524SS*.Hα-helixtrans-61.7-38.2-176.1470000114N34 A40N34-S36 VanDerWaalsContact C-N 3.34Å; S36-A40 PolarHBondContact O-N 3.46Å
37L38Very low40.6Very low126 Ų12695.4 Ų95.466%0.6654%0.536SS*.Hα-helixtrans-77.4-28.1-172.5-133.9160.2000112.5Y35 V41Y35-L37 PolarHBondContact O-N 2.93Å; L37-V41 WeakPolarHBondContact O-CG2 3.4Å
38L36Very low40.5Very low129 Ų12995.8 Ų95.868%0.67555%0.547SS*.Hα-helixtrans-80.5-31.9175.1-137.486.4000112.4A42L38-A42 PolarHBondContact O-N 3.3Å
39A39Very low40.1Very low47 Ų4799.1 Ų99.139%0.38856%0.56SS.*Hα-helixtrans-63.9-51.5174.200000110.9Y35 V41 A42 D43Y35-A39 PolarHBondContact O-N 3.02Å; A39-V41 VanDerWaalsContact C-N 3.25Å; A39-V41 PolarHBondContact O-N 3.24Å; A39-A42 WeakPolarHBondContact O-CA 3.39Å; A39-A42 WeakPolarHBondContact O-CB 3.42Å; A39-A42 PolarHBondContact O-N 2.85Å; A39-D43 PolarHBondContact O-N 3.31Å
40A39.5Very low40.2Very low48 Ų48104.4 Ų104.440%0.39758%0.583SS.*Hα-helixtrans-57.9-33.5179.500000113.9S36 N44S36-A40 PolarHBondContact O-N 3.46Å; A40-N44 VanDerWaalsContact O-CB 3.26Å; A40-N44 WeakPolarHBondContact O-CB 3.33Å; A40-N44 PolarHBondContact O-N 3.33Å; A40-N44 VanDerWaalsContact O-N 3.08Å; A40-N44 PolarHBondContact O-OD1 3.26Å
41V40.5Very low40.4Very low95 Ų95109.1 Ų109.158%0.57660%0.6SS**Hα-helixtrans-74.4-34.6175.3173.60000111.9L37 A39 A45L37-V41 WeakPolarHBondContact O-CG2 3.4Å; A39-V41 VanDerWaalsContact C-N 3.25Å; A39-V41 PolarHBondContact O-N 3.24Å; V41-A45 VanDerWaalsContact O-CB 3.24Å; V41-A45 WeakPolarHBondContact O-CB 3.39Å; V41-A45 PolarHBondContact O-N 2.73Å
42A40.4Very low40Very low53 Ų53108.4 Ų108.444%0.43860%0.6SS.*Hα-helixtrans-71.5-44.7175.500000111.9L38 A39 A45 V46L38-A42 PolarHBondContact O-N 3.3Å; A39-A42 WeakPolarHBondContact O-CA 3.39Å; A39-A42 WeakPolarHBondContact O-CB 3.42Å; A39-A42 PolarHBondContact O-N 2.85Å; A42-A45 PolarHBondContact O-N 3.08Å; A42-V46 WeakPolarHBondContact O-CG2 3.48Å; A42-V46 PolarHBondContact O-N 3.16Å; A42-V46 VanDerWaalsContact O-N 3.14Å
43D41.3Very low39.9Very low102 Ų102109.5 Ų109.555%0.54561%0.611SS.*Hα-helixtrans-63.4-50.2178.4-65.3-31.6000110.5A39 A45 V46 T47A39-D43 PolarHBondContact O-N 3.31Å; D43-A45 VanDerWaalsContact C-N 3.25Å; D43-A45 PolarHBondContact O-N 3.49Å; D43-V46 PolarHBondContact O-N 3.22Å; D43-T47 PolarHBondContact O-N 3.12Å; D43-T47 PolarHBondContact O-OG1 3.35Å; D43-T47 VanDerWaalsContact O-OG1 3.08Å
44N42.1Very low39.8Very low114 Ų114111.6 Ų111.661%0.6162%0.616SS**Hα-helixtrans-59.2-34.4177.1-73.80.7000113.1A40 V46 A48A40-N44 VanDerWaalsContact O-CB 3.26Å; A40-N44 WeakPolarHBondContact O-CB 3.33Å; A40-N44 PolarHBondContact O-N 3.33Å; A40-N44 VanDerWaalsContact O-N 3.08Å; A40-N44 PolarHBondContact O-OD1 3.26Å; N44-V46 VanDerWaalsContact C-N 3.32Å; N44-A48 WeakPolarHBondContact O-CB 3.42Å; N44-A48 PolarHBondContact O-N 2.93Å
45A38Very low39.9Very low65 Ų65115.3 Ų115.354%0.53763%0.63SS.*Hα-helixtrans-76-17.3177.600000113.8V41 A42 D43V41-A45 VanDerWaalsContact O-CB 3.24Å; V41-A45 WeakPolarHBondContact O-CB 3.39Å; V41-A45 PolarHBondContact O-N 2.73Å; A42-A45 PolarHBondContact O-N 3.08Å; D43-A45 VanDerWaalsContact C-N 3.25Å; D43-A45 PolarHBondContact O-N 3.49Å
46V39.2Very low39.8Very low89 Ų89116.4 Ų116.454%0.53964%0.644SS.*Hα-helixtrans-90.2-42.8172.2172.30000110.5A42 D43 N44 W49 M50A42-V46 WeakPolarHBondContact O-CG2 3.48Å; A42-V46 PolarHBondContact O-N 3.16Å; A42-V46 VanDerWaalsContact O-N 3.14Å; D43-V46 PolarHBondContact O-N 3.22Å; N44-V46 VanDerWaalsContact C-N 3.32Å; V46-W49 PolarHBondContact O-N 2.96Å; V46-M50 PolarHBondContact O-N 3.44Å
47T42.3Very low39.8Very low72 Ų72116.2 Ų116.244%0.44264%0.64SS.*Hα-helixtrans-60.4-48176.2-48.80000111.1D43 W49 M50 E51D43-T47 PolarHBondContact O-N 3.12Å; D43-T47 PolarHBondContact O-OG1 3.35Å; D43-T47 VanDerWaalsContact O-OG1 3.08Å; T47-W49 PolarHBondContact O-N 3.42Å; T47-M50 PolarHBondContact O-N 3.08Å; T47-E51 WeakPolarHBondContact O-CB 3.36Å; T47-E51 PolarHBondContact O-N 2.98Å
48A40.1Very low39.8Very low65 Ų65117.7 Ų117.754%0.53765%0.648SS.*THydrogen-bonded Turntrans-67.53.5175.300000114.5N44N44-A48 WeakPolarHBondContact O-CB 3.42Å; N44-A48 PolarHBondContact O-N 2.93Å
49W36.1Very low39.9Very low231 Ų231117 Ų11788%0.87565%0.654SS**THydrogen-bonded Turntrans-113.65.4172.2-143.259.9000112.8V46 T47V46-W49 PolarHBondContact O-N 2.96Å; T47-W49 PolarHBondContact O-N 3.42Å
50M39.3Very low40Very low154 Ų154119.5 Ų119.576%0.75967%0.668SS**THydrogen-bonded Turntrans-1263.3176.6-63.1-167.469.500113.2V46 T47V46-M50 PolarHBondContact O-N 3.44Å; T47-M50 PolarHBondContact O-N 3.08Å
51E42.9Very low39.9Very low156 Ų156124.2 Ų124.273%0.72969%0.687SS**SBendtrans-120.714.3-169.4-150.1166.7-145.800112.8T47T47-E51 WeakPolarHBondContact O-CB 3.36Å; T47-E51 PolarHBondContact O-N 2.98Å
52E39.5Very low39.8Very low173 Ų173126.3 Ų126.381%0.80870%0.704SS**SBendtrans-120.420.6-175-153.7175.4-153.300113.5
53T40.1Very low39.7Very low126 Ų126131.9 Ų131.977%0.77372%0.721SS**SBendtrans-146.564.6179.159.70000113.7
54D36.5Very low39.7Very low163 Ų163133.3 Ų133.387%0.87273%0.734SS**  trans-16271.9170.3-124.5-9000112.5
55E41.8Very low39.5Very low192 Ų192136 Ų13690%0.89774%0.743SS**  trans-151.4106168.4-82.8-60.3171.600111.1
56D39.3Very low39.9Very low150 Ų150140.6 Ų140.680%0.80276%0.758SS**  trans-169.6153.3172.4-164.946000109.1
57P43.7Very low40Very low90 Ų90145 Ų14558%0.58477%0.773SS**  cis-118.7-178.1-22.320.71.7000112.4
58L38.5Very low40Very low158 Ų158145.2 Ų145.283%0.82779%0.789SS**  152.1145.5127.7-81.2167.9000114.4
59S39.2Very low40Very low115 Ų115150.1 Ų150.180%0.80481%0.807SS**  trans74136.8165.1-52.80000117.9
60S40.1Very low39.9Very low98 Ų98144.6 Ų144.669%0.68580%0.798SS**  cis-161.4158.9-10.155.20000113.4
61N38.1Very low40Very low148 Ų148144 Ų14479%0.79180%0.803SS**  trans52.8115.7151.2-61.5-8.5000121.5
62C38.4Very low39.6Very low138 Ų138145.2 Ų145.293%0.93281%0.809SS**  -151.7149.5110.3-1300000110.7
63Q37.6Very low39.6Very low170 Ų170143.5 Ų143.579%0.79481%0.811SS**  trans-111142.3-171.2-60.8170.3-87.500113
64T41.2Very low39.5Very low133 Ų133143.1 Ų143.182%0.81681%0.813SS**  trans168.9105131.737.30000106.1
65Q37.3Very low39.5Very low171 Ų171142.8 Ų142.880%0.79981%0.806SS**  67.397.764.5-168.9179.92.700113.5
66D45.9Very low39.1Very low160 Ų160142.7 Ų142.786%0.85681%0.805SS**  trans-149.1165.7134.4-145.5-21.2000109.3
67E42.4Very low39.1Very low182 Ų182144.3 Ų144.385%0.8580%0.801SS**  trans-97.5152.8-167.2-57-178.4136.600113.5
68G41.3Very low38.6Very low76 Ų76147.7 Ų147.778%0.78482%0.815SS**  trans177.951.8-177.400000120.4
69D40.6Very low38.4Very low168 Ų168144.1 Ų144.190%0.89880%0.803SS**  trans61.8155159.1-126.1-26.2000121.1
70V35.2Very low38Very low115 Ų115141.5 Ų141.570%0.69779%0.794SS**  trans-106.9137.5-171.8174.30000111.6
71T40.9Very low37.6Very low141 Ų141146.7 Ų146.787%0.86580%0.8SS**  trans-150.9125.1152.5-9.50000112
72E34.3Very low37.3Very low183 Ų183149.4 Ų149.486%0.85581%0.805SS**  trans-77.5121.3-179.8-58.4172.8120.900110.9
73T38.5Very low36.9Very low137 Ų137148.1 Ų148.184%0.8480%0.798SS**  trans-135.9129153.443.10000110.1
74S38.3Very low36.7Very low117 Ų117147.8 Ų147.882%0.81880%0.8SS**  trans-79123.8-173.749.90000112.1E76S74-E76 PolarHBondContact O-N 2.88Å
75H36.5Very low36.2Very low156 Ų156147 Ų14772%0.72280%0.798SS**  trans-77108.5171.1-98.3-77.6000111.7Y77H75-Y77 HydrophobicContact CB-CD2 4.02Å; H75-Y77 HydrophobicContact CB-CE2 4.32Å; H75-Y77 AromaticContact CE1-CE2 3.83Å; H75-Y77 AromaticContact CG-CE2 3.93Å; H75-Y77 AromaticContact ND1-CD2 3.79Å; H75-Y77 AromaticContact ND1-CE2 3.33Å; H75-Y77 VanDerWaalsContact ND1-CE2 3.33Å; H75-Y77 WeakPolarHBondContact ND1-CE2 3.33Å; H75-Y77 PolarHBondContact O-N 3.46Å
76E34Very low35.9Very low191 Ų191143.3 Ų143.389%0.89380%0.796SS**  trans-78.7104.1158.5-73.1-172.8125.300109.5S74S74-E76 PolarHBondContact O-N 2.88Å
77Y38.8Very low35.1Very low183 Ų183140.6 Ų140.672%0.71879%0.79SS**  trans-103.385.9169.2-95.4-73.1000110.4H75 S79H75-Y77 HydrophobicContact CB-CD2 4.02Å; H75-Y77 HydrophobicContact CB-CE2 4.32Å; H75-Y77 AromaticContact CE1-CE2 3.83Å; H75-Y77 AromaticContact CG-CE2 3.93Å; H75-Y77 AromaticContact ND1-CD2 3.79Å; H75-Y77 AromaticContact ND1-CE2 3.33Å; H75-Y77 VanDerWaalsContact ND1-CE2 3.33Å; H75-Y77 WeakPolarHBondContact ND1-CE2 3.33Å; H75-Y77 PolarHBondContact O-N 3.46Å; Y77-S79 PolarHBondContact O-N 2.86Å
78D33.8Very low34.6Very low162 Ų162138.2 Ų138.287%0.86679%0.787SS**  trans-70.288.4175.5-174.614.1000111.2
79S34.8Very low34.2Very low82 Ų82143.3 Ų143.357%0.57379%0.788SS**  trans-99.576.8178.8470000110.5Y77 Y81Y77-S79 PolarHBondContact O-N 2.86Å; S79-Y81 VanDerWaalsContact C-N 3.33Å; S79-Y81 WeakPolarHBondContact O-CD2 3.4Å; S79-Y81 PolarHBondContact O-N 3.08Å
80G29.5Very low33.8Very low60 Ų60139.6 Ų139.662%0.61978%0.781SS**  trans-65.574.9-175.600000115.9F82G80-F82 PolarHBondContact O-N 3.38Å
81Y32.9Very low33.7Very low208 Ų208139.6 Ų139.682%0.81679%0.785SS**  trans-71.3109.2171.8-80.9-87.2000111.9S79 S83S79-Y81 VanDerWaalsContact C-N 3.33Å; S79-Y81 WeakPolarHBondContact O-CD2 3.4Å; S79-Y81 PolarHBondContact O-N 3.08Å; Y81-S83 PolarHBondContact O-N 2.82Å; Y81-S83 VanDerWaalsContact O-N 3.08Å
82F31.4Very low33.2Very low205 Ų205138.6 Ų138.690%0.89978%0.783SS**  trans-79.883173.9-93.4-87.4000112.4G80 L84G80-F82 PolarHBondContact O-N 3.38Å; F82-L84 PolarHBondContact O-N 3.37Å
83S30.7Very low33.3Very low110 Ų110136.1 Ų136.177%0.76978%0.776SS**  trans-65.8110.5172.1-62.10000111.8Y81 P85Y81-S83 PolarHBondContact O-N 2.82Å; Y81-S83 VanDerWaalsContact O-N 3.08Å; S83-P85 WeakPolarHBondContact O-CD 3.37Å
84L32.6Very low33.1Very low163 Ų163135.5 Ų135.585%0.85377%0.774SS**  trans-85.9118.7174.4-89.3168.2000111.1F82 A86F82-L84 PolarHBondContact O-N 3.37Å; L84-A86 PolarHBondContact O-N 3.1Å
85P30.7Very low33.1Very low117 Ų117136.8 Ų136.876%0.7677%0.771SS**  trans-75.49917929.4-34.1000111.6S83 S87S83-P85 WeakPolarHBondContact O-CD 3.37Å; P85-S87 VanDerWaalsContact C-N 3.29Å; P85-S87 PolarHBondContact O-N 3.32Å
86A30.6Very low33.2Very low93 Ų93141.5 Ų141.577%0.76978%0.783SS**  trans-7376.9172.400000111.5L84 V88L84-A86 PolarHBondContact O-N 3.1Å; A86-V88 PolarHBondContact O-N 2.73Å
87S29.9Very low33.4Very low104 Ų104138.4 Ų138.473%0.72778%0.776SS**  trans-72.689.7-180-168.20000112.2P85 K89P85-S87 VanDerWaalsContact C-N 3.29Å; P85-S87 PolarHBondContact O-N 3.32Å; S87-K89 PolarHBondContact O-N 3.05Å; S87-K89 VanDerWaalsContact O-N 3.13Å
88V31.6Very low33.5Very low131 Ų131132.8 Ų132.879%0.79476%0.757SS**  trans-78.390.4173.3-176.30000109.9A86 A90A86-V88 PolarHBondContact O-N 2.73Å; V88-A90 PolarHBondContact O-N 3.35Å; V88-A90 VanDerWaalsContact O-N 3.12Å
89K33.1Very low33.7Very low184 Ų184128 Ų12880%0.873%0.734SS**  trans-81.286.2173.7-117.1-176.3-179-178.90111.4S87 C91S87-K89 PolarHBondContact O-N 3.05Å; S87-K89 VanDerWaalsContact O-N 3.13Å; K89-C91 PolarHBondContact O-N 3.05Å; K89-C91 VanDerWaalsContact O-N 3.09Å
90A32Very low33.8Very low90 Ų90129.1 Ų129.174%0.74474%0.737SS**  trans-72.693.9171.400000111V88 S92V88-A90 PolarHBondContact O-N 3.35Å; V88-A90 VanDerWaalsContact O-N 3.12Å; A90-S92 PolarHBondContact O-N 3.43Å
91C32Very low34.3Very low115 Ų115132.2 Ų132.278%0.77773%0.734SS**  trans-76.8104.6172.4-69.40000110.6K89 N93K89-C91 PolarHBondContact O-N 3.05Å; K89-C91 VanDerWaalsContact O-N 3.09Å; C91-N93 PolarHBondContact O-N 2.95Å; C91-N93 VanDerWaalsContact O-N 3.12Å
92S32.2Very low34.7Very low119 Ų119126.3 Ų126.383%0.83272%0.72SS**  trans-70.798.7176.241.60000111.9A90A90-S92 PolarHBondContact O-N 3.43Å
93N35.5Very low35.3Very low131 Ų131120.4 Ų120.470%0.70170%0.696SS**  trans-150.8123.1169.3-132.4-26.2000111C91 L95C91-N93 PolarHBondContact O-N 2.95Å; C91-N93 VanDerWaalsContact O-N 3.12Å; N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 2.69Å
94P34.8Very low36Very low124 Ų124126.1 Ų126.181%0.80570%0.701SS**  trans-84.453.5-162.834.9-37.9000114.4
95L38.2Very low37.2Very low144 Ų144120.5 Ų120.575%0.75467%0.672SS**SBendtrans-135.887.7179.5-72176.8000113.3N93 V97N93-L95 VanDerWaalsContact C-N 3.3Å; N93-L95 PolarHBondContact O-N 2.69Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 3.36Å
96R39Very low38.9Very low256 Ų256118.5 Ų118.597%0.96666%0.66SS**  trans39.745.4160.8-73-174.1170.7171.6-1.3117.1Q98R96-Q98 PolarHBondContact O-N 2.99Å
97V37.1Very low40.1Very low125 Ų125117.4 Ų117.476%0.75865%0.647SS**PPolyproline II helixtrans-80.1119171.9-171.70000109.5L95L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 3.36Å
98Q41.4Very low41.6Very low66 Ų66122.2 Ų122.231%0.30865%0.649SS.*PPolyproline II helixtrans-74.2137.1166.2-67.6-166.7-53.600109.1R96 V100R96-Q98 PolarHBondContact O-N 2.99Å; Q98-V100 PolarHBondContact O-N 3.19Å
99P37.5Very low42.6Very low61 Ų61118.1 Ų118.140%0.39663%0.629SS.*PPolyproline II helixtrans-63.8125.9170.726.9-33.2000109.8F101P99-F101 HydrophobicContact CB-CE2 4.07Å; P99-F101 HydrophobicContact CB-CZ 4.27Å; P99-F101 HydrophobicContact CG-CE2 4.36Å
100V37.5Very low43.8Very low105 Ų105110.6 Ų110.664%0.63660%0.597SS**  trans-110.2111.7175.5178.90000108.1Q98 V102Q98-V100 PolarHBondContact O-N 3.19Å; V100-V102 HydrophobicContact CG1-CG2 4.22Å
101F39Very low45.1Very low125 Ų125113.8 Ų113.855%0.54859%0.59SS.*EExtended strand (participates in β ladder)trans-86.6117.2177-62.2-83.8000109.7P99P99-F101 HydrophobicContact CB-CE2 4.07Å; P99-F101 HydrophobicContact CB-CZ 4.27Å; P99-F101 HydrophobicContact CG-CE2 4.36Å
102V41.2Very low46.5Very low85 Ų85111.7 Ų111.752%0.51557%0.574SS.*EExtended strand (participates in β ladder)trans-105.1103.4178.7-178.80000108.9M24 V100M24-V102 HydrophobicContact SD-CG1 4.32Å; V100-V102 HydrophobicContact CG1-CG2 4.22Å
103I45.4Very low47.7Very low80 Ų80110 Ų11041%0.4156%0.555SS.*EExtended strand (participates in β ladder)trans-97.5120.4180-52.4-179.4000109.2L25 I27 I105L25-I103 PolarHBondContact O-N 2.93Å; I27-I103 HydrophobicContact CD1-CD1 3.92Å; I103-I105 HydrophobicContact CB-CG1 4.47Å; I103-I105 HydrophobicContact CG2-CD1 4.28Å; I103-I105 HydrophobicContact CG2-CG1 3.79Å
104R45.5Very low48.9Very low231 Ų231106.4 Ų106.487%0.87254%0.54SS*.  trans-81117.5169.6-73-177176.8165.31.8109.3
105I58.1Low50.3Low45 Ų45109.7 Ų109.723%0.23154%0.536CS..  trans-116.9134.1-179-57.7-179.1000108.5L25 I103 A109 L110L25-I105 HydrophobicContact CB-CD1 3.96Å; L25-I105 HydrophobicContact CD2-CD1 3.57Å; L25-I105 HydrophobicContact CG-CD1 4.41Å; I103-I105 HydrophobicContact CB-CG1 4.47Å; I103-I105 HydrophobicContact CG2-CD1 4.28Å; I103-I105 HydrophobicContact CG2-CG1 3.79Å; I105-A109 HydrophobicContact CG2-CB 3.63Å; I105-L110 HydrophobicContact CG2-CB 4.09Å
106S65.3Low51.4Low74 Ų74111.6 Ų111.652%0.51753%0.533SS..  trans-66.1149.9177.573.20000111.5R108 A109 L110S106-R108 PolarHBondContact O-N 2.85Å; S106-A109 PolarHBondContact O-N 3.45Å; S106-A109 WeakPolarHBondContact OG-CB 3.43Å; S106-A109 PolarHBondContact OG-N 3.13Å; S106-L110 PolarHBondContact O-N 3.06Å
107S55.6Low52.2Low71 Ų71101.6 Ų101.650%0.49750%0.502SS..Hα-helixtrans-62.1-18.8-179.370.50000113.6R111S107-R111 WeakPolarHBondContact O-CB 3.33Å; S107-R111 WeakPolarHBondContact O-CG 3.25Å; S107-R111 PolarHBondContact O-N 2.91Å; S107-R111 PolarHBondContact O-NE 3.29Å; S107-R111 VanDerWaalsContact O-NE 3.09Å
108R60.7Low53.5Low204 Ų20499.7 Ų99.777%0.7749%0.49SS*.Hα-helixtrans-77.9-47.9170.6-171.1175.7-178.5-180-0.6111.3S106 R111 T112S106-R108 PolarHBondContact O-N 2.85Å; R108-R111 PolarHBondContact O-N 3.41Å; R108-T112 PolarHBondContact O-N 3.39Å; R108-T112 PolarHBondContact O-OG1 3.33Å; R108-T112 VanDerWaalsContact O-OG1 3.11Å
109A54.6Low54.4Low45 Ų45103.1 Ų103.137%0.37251%0.506SS..Hα-helixtrans-64.1-40.6177.600000112.1I105 S106 T112 L113I105-A109 HydrophobicContact CG2-CB 3.63Å; S106-A109 PolarHBondContact O-N 3.45Å; S106-A109 WeakPolarHBondContact OG-CB 3.43Å; S106-A109 PolarHBondContact OG-N 3.13Å; A109-T112 PolarHBondContact O-N 2.82Å; A109-L113 WeakPolarHBondContact O-CB 3.47Å; A109-L113 PolarHBondContact O-N 2.83Å
110L56.5Low55.2Low26 Ų26102.6 Ų102.614%0.13651%0.507CS..Hα-helixtrans-62.9-44.5174.6-175.963.7000111.6L18 P23 I105 S106 T112 L113 C114L18-L110 HydrophobicContact CD2-CD2 4.49Å; P23-L110 HydrophobicContact CB-CD2 3.73Å; P23-L110 HydrophobicContact CG-CD2 4.09Å; I105-L110 HydrophobicContact CG2-CB 4.09Å; S106-L110 PolarHBondContact O-N 3.06Å; L110-T112 VanDerWaalsContact C-N 3.33Å; L110-T112 PolarHBondContact O-N 3.33Å; L110-L113 PolarHBondContact O-N 3.01Å; L110-C114 WeakPolarHBondContact O-CB 3.35Å; L110-C114 PolarHBondContact O-N 2.92Å; L110-C114 PolarHBondContact O-SG 3.45Å
111R60.6Low55.9Low157 Ų157104.7 Ų104.759%0.59250%0.504SS*.Hα-helixtrans-60.8-39.7174.7-83-174.6-86.1-166.7-5.6112.3S107 R108 R115S107-R111 WeakPolarHBondContact O-CB 3.33Å; S107-R111 WeakPolarHBondContact O-CG 3.25Å; S107-R111 PolarHBondContact O-N 2.91Å; S107-R111 PolarHBondContact O-NE 3.29Å; S107-R111 VanDerWaalsContact O-NE 3.09Å; R108-R111 PolarHBondContact O-N 3.41Å; R111-R115 WeakPolarHBondContact O-CB 3.49Å; R111-R115 WeakPolarHBondContact O-CG 3.17Å; R111-R115 PolarHBondContact O-N 2.89Å
112T61.6Low56.7Low71 Ų71104 Ų10444%0.43651%0.505SS..Hα-helixtrans-65.7-42.7174.1-57.80000112.2R108 A109 L110 R115 R116R108-T112 PolarHBondContact O-N 3.39Å; R108-T112 PolarHBondContact O-OG1 3.33Å; R108-T112 VanDerWaalsContact O-OG1 3.11Å; A109-T112 PolarHBondContact O-N 2.82Å; L110-T112 VanDerWaalsContact C-N 3.33Å; L110-T112 PolarHBondContact O-N 3.33Å; T112-R115 PolarHBondContact O-N 2.85Å; T112-R116 PolarHBondContact O-N 2.63Å
113L56.1Low57.6Low85 Ų85103.2 Ų103.245%0.44550%0.504SS..Hα-helixtrans-61.9-49.6176.7-164.690.2000110.7A109 L110 R115 R116 C117A109-L113 WeakPolarHBondContact O-CB 3.47Å; A109-L113 PolarHBondContact O-N 2.83Å; L110-L113 PolarHBondContact O-N 3.01Å; L113-R115 PolarHBondContact O-N 3.33Å; L113-R116 PolarHBondContact O-N 3.11Å; L113-C117 WeakPolarHBondContact O-CB 3.36Å; L113-C117 PolarHBondContact O-N 2.7Å; L113-C117 PolarHBondContact O-SG 3.23Å; L113-C117 VanDerWaalsContact O-SG 3.33Å
114C62.1Low57.6Low55 Ų55103.1 Ų103.137%0.37251%0.507SS..Hα-helixtrans-59.7-44.2177.4-68.60000111.9L110 R116 C117 V118L110-C114 WeakPolarHBondContact O-CB 3.35Å; L110-C114 PolarHBondContact O-N 2.92Å; L110-C114 PolarHBondContact O-SG 3.45Å; C114-R116 PolarHBondContact O-N 3.4Å; C114-C117 PolarHBondContact O-N 2.98Å; C114-V118 WeakPolarHBondContact O-CB 3.45Å; C114-V118 VanDerWaalsContact O-CG2 3.32Å; C114-V118 WeakPolarHBondContact O-CG2 3.46Å; C114-V118 PolarHBondContact O-N 3.39Å
115R63.6Low57.6Low193 Ų19398.2 Ų98.273%0.72849%0.492SS*.Hα-helixtrans-57.6-47.2174.4-79.5-177.9174.4-170.5-2.4111.8R111 T112 L113 V118 Q119R111-R115 WeakPolarHBondContact O-CB 3.49Å; R111-R115 WeakPolarHBondContact O-CG 3.17Å; R111-R115 PolarHBondContact O-N 2.89Å; T112-R115 PolarHBondContact O-N 2.85Å; L113-R115 PolarHBondContact O-N 3.33Å; R115-V118 PolarHBondContact O-N 2.9Å; R115-Q119 VanDerWaalsContact O-CB 3.29Å; R115-Q119 WeakPolarHBondContact O-CB 3.32Å; R115-Q119 PolarHBondContact O-N 3.21Å
116R60.9Low57.6Low183 Ų183102.3 Ų102.369%0.69151%0.505SS*.Hα-helixtrans-64.9-41.5177.2-74.2-175.7173.1-170.6-2.6112.8T112 L113 C114 Q119 A120T112-R116 PolarHBondContact O-N 2.63Å; L113-R116 PolarHBondContact O-N 3.11Å; C114-R116 PolarHBondContact O-N 3.4Å; R116-Q119 PolarHBondContact O-N 3.07Å; R116-A120 WeakPolarHBondContact O-CB 3.44Å; R116-A120 PolarHBondContact O-N 2.82Å
117C56.6Low57.2Low47 Ų47104.6 Ų104.632%0.31851%0.509SS..Hα-helixtrans-65.8-39177-70.70000112.7L113 C114 R121L113-C117 WeakPolarHBondContact O-CB 3.36Å; L113-C117 PolarHBondContact O-N 2.7Å; L113-C117 PolarHBondContact O-SG 3.23Å; L113-C117 VanDerWaalsContact O-SG 3.33Å; C114-C117 PolarHBondContact O-N 2.98Å; C117-R121 WeakPolarHBondContact O-CB 3.29Å; C117-R121 WeakPolarHBondContact O-CG 3.4Å; C117-R121 PolarHBondContact O-N 2.98Å
118V63.1Low56.7Low84 Ų84106 Ų10651%0.50951%0.509SS..Hα-helixtrans-66.8-45.9173.61700000110.4C114 R115 A120 R121 L122C114-V118 WeakPolarHBondContact O-CB 3.45Å; C114-V118 VanDerWaalsContact O-CG2 3.32Å; C114-V118 WeakPolarHBondContact O-CG2 3.46Å; C114-V118 PolarHBondContact O-N 3.39Å; R115-V118 PolarHBondContact O-N 2.9Å; V118-A120 VanDerWaalsContact C-N 3.35Å; V118-A120 PolarHBondContact O-N 3.48Å; V118-R121 PolarHBondContact O-N 3.44Å; V118-L122 HydrophobicContact CG1-CD1 3.86Å; V118-L122 HydrophobicContact CG1-CG 4.34Å; V118-L122 WeakPolarHBondContact O-CB 3.32Å; V118-L122 WeakPolarHBondContact O-CG 3.47Å; V118-L122 PolarHBondContact O-N 3.02Å
119Q61.9Low56.6Low138 Ų138100 Ų10065%0.64549%0.491SS*.Hα-helixtrans-59.6-42.7177.6-169.8174.46.900112.2R115 R116 L122 S123R115-Q119 VanDerWaalsContact O-CB 3.29Å; R115-Q119 WeakPolarHBondContact O-CB 3.32Å; R115-Q119 PolarHBondContact O-N 3.21Å; R116-Q119 PolarHBondContact O-N 3.07Å; Q119-L122 PolarHBondContact O-N 3.36Å; Q119-S123 PolarHBondContact O-N 3.46Å; Q119-S123 PolarHBondContact O-OG 3.21Å
120A53.7Low56.9Low50 Ų50101.8 Ų101.841%0.41349%0.492SS..Hα-helixtrans-69-34.5175.400000113.5R116 V118 S123 T124R116-A120 WeakPolarHBondContact O-CB 3.44Å; R116-A120 PolarHBondContact O-N 2.82Å; V118-A120 VanDerWaalsContact C-N 3.35Å; V118-A120 PolarHBondContact O-N 3.48Å; A120-S123 PolarHBondContact O-OG 3.44Å; A120-S123 VanDerWaalsContact O-OG 3.05Å; A120-T124 WeakPolarHBondContact O-CB 3.4Å; A120-T124 PolarHBondContact O-N 3.44Å; A120-T124 VanDerWaalsContact O-N 3.08Å; A120-T124 PolarHBondContact O-OG1 2.73Å
121R51.8Low57Low149 Ų149105.5 Ų105.556%0.56251%0.511SS*.Hα-helixtrans-67.1-41.4171.2-82.6-175.2167.5-167.8-4.3111.5C117 V118 T124 F125C117-R121 WeakPolarHBondContact O-CB 3.29Å; C117-R121 WeakPolarHBondContact O-CG 3.4Å; C117-R121 PolarHBondContact O-N 2.98Å; V118-R121 PolarHBondContact O-N 3.44Å; R121-T124 PolarHBondContact O-N 2.98Å; R121-F125 WeakPolarHBondContact O-CB 3.27Å; R121-F125 PolarHBondContact O-N 3.03Å
122L57Low56.2Low111 Ų111104.7 Ų104.758%0.58151%0.509SS*.Hα-helixtrans-65.5-42.3177.1-72.2170.3000112.1V118 Q119 F125 R126V118-L122 HydrophobicContact CG1-CD1 3.86Å; V118-L122 HydrophobicContact CG1-CG 4.34Å; V118-L122 WeakPolarHBondContact O-CB 3.32Å; V118-L122 WeakPolarHBondContact O-CG 3.47Å; V118-L122 PolarHBondContact O-N 3.02Å; Q119-L122 PolarHBondContact O-N 3.36Å; L122-F125 PolarHBondContact O-N 2.98Å; L122-R126 VanDerWaalsContact O-CB 3.25Å; L122-R126 WeakPolarHBondContact O-CB 3.46Å; L122-R126 PolarHBondContact O-N 2.87Å
123S58.1Low56.4Low69 Ų69106.3 Ų106.348%0.48351%0.512SS..Hα-helixtrans-65.5-38.7174.965.10000112.3Q119 A120 M127Q119-S123 PolarHBondContact O-N 3.46Å; Q119-S123 PolarHBondContact O-OG 3.21Å; A120-S123 PolarHBondContact O-OG 3.44Å; A120-S123 VanDerWaalsContact O-OG 3.05Å; S123-M127 WeakPolarHBondContact O-CB 3.24Å; S123-M127 PolarHBondContact O-N 3.12Å
124T46.3Very low56.8Low77 Ų77107.3 Ų107.347%0.47252%0.518SS..Hα-helixtrans-66.6-44.3176.2-53.40000111.6A120 R121 M127 I128A120-T124 WeakPolarHBondContact O-CB 3.4Å; A120-T124 PolarHBondContact O-N 3.44Å; A120-T124 VanDerWaalsContact O-N 3.08Å; A120-T124 PolarHBondContact O-OG1 2.73Å; R121-T124 PolarHBondContact O-N 2.98Å; T124-M127 PolarHBondContact O-N 2.92Å; T124-I128 HydrophobicContact CG2-CD1 4.18Å; T124-I128 WeakPolarHBondContact O-CG1 3.24Å; T124-I128 PolarHBondContact O-N 3.24Å; T124-I128 VanDerWaalsContact O-N 3.08Å
125F45Very low56.5Low129 Ų129108.5 Ų108.557%0.56652%0.523SS*.Hα-helixtrans-63.8-42.9176.3-176.4-99.1000111.8R121 L122 I128 M129R121-F125 WeakPolarHBondContact O-CB 3.27Å; R121-F125 PolarHBondContact O-N 3.03Å; L122-F125 PolarHBondContact O-N 2.98Å; F125-I128 PolarHBondContact O-N 2.98Å; F125-M129 HydrophobicContact CD1-CG 4.07Å; F125-M129 HydrophobicContact CE1-CG 3.7Å; F125-M129 HydrophobicContact CE1-SD 4.41Å; F125-M129 HydrophobicContact CE2-CG 4.46Å; F125-M129 HydrophobicContact CZ-CG 3.92Å; F125-M129 HydrophobicContact CZ-SD 4.09Å; F125-M129 WeakPolarHBondContact O-CG 3.45Å; F125-M129 PolarHBondContact O-N 2.97Å
126R57.6Low56.1Low131 Ų131107.3 Ų107.349%0.49452%0.518SS..Hα-helixtrans-59.5-47.4175.1-178.5170.7177.9153.65.8111.9L122 I128 M129 E130L122-R126 VanDerWaalsContact O-CB 3.25Å; L122-R126 WeakPolarHBondContact O-CB 3.46Å; L122-R126 PolarHBondContact O-N 2.87Å; R126-I128 VanDerWaalsContact C-N 3.3Å; R126-I128 PolarHBondContact O-N 3.32Å; R126-M129 PolarHBondContact O-N 3.16Å; R126-M129 VanDerWaalsContact O-N 3.12Å; R126-E130 HydrophobicContact CG-CG 4.38Å; R126-E130 WeakPolarHBondContact CG-OE1 3.49Å; R126-E130 IonicContact CZ-OE1 2.66Å; R126-E130 IonicContact NE-OE1 3.27Å; R126-E130 PolarHBondContact NE-OE1 3.47Å; R126-E130 IonicContact NH2-OE1 3.3Å; R126-E130 PolarHBondContact NH2-OE1 2.79Å; R126-E130 WeakPolarHBondContact O-CG 3.4Å; R126-E130 PolarHBondContact O-N 3.08Å
127M57.3Low55.9Low122 Ų122104.4 Ų104.460%0.60151%0.513SS*.Hα-helixtrans-58.5-40.1176-175.5-172.2-67.300112.5S123 T124 L131S123-M127 WeakPolarHBondContact O-CB 3.24Å; S123-M127 PolarHBondContact O-N 3.12Å; T124-M127 PolarHBondContact O-N 2.92Å; M127-L131 WeakPolarHBondContact O-CB 3.45Å; M127-L131 PolarHBondContact O-N 3.18Å
128I46.3Very low55.7Low100 Ų100106.8 Ų106.851%0.51353%0.529SS..Hα-helixtrans-66.5-41.4175.4-69165.5000111.2T124 F125 R126 Y132T124-I128 HydrophobicContact CG2-CD1 4.18Å; T124-I128 WeakPolarHBondContact O-CG1 3.24Å; T124-I128 PolarHBondContact O-N 3.24Å; T124-I128 VanDerWaalsContact O-N 3.08Å; F125-I128 PolarHBondContact O-N 2.98Å; R126-I128 VanDerWaalsContact C-N 3.3Å; R126-I128 PolarHBondContact O-N 3.32Å; I128-Y132 WeakPolarHBondContact O-CB 3.37Å; I128-Y132 PolarHBondContact O-N 3.03Å
129M57.8Low55.1Low77 Ų77112.8 Ų112.838%0.37954%0.543SS..Hα-helixtrans-68.4-39.2178.2-71.6-63.9-7000112.5F125 R126 Y132 Q133F125-M129 HydrophobicContact CD1-CG 4.07Å; F125-M129 HydrophobicContact CE1-CG 3.7Å; F125-M129 HydrophobicContact CE1-SD 4.41Å; F125-M129 HydrophobicContact CE2-CG 4.46Å; F125-M129 HydrophobicContact CZ-CG 3.92Å; F125-M129 HydrophobicContact CZ-SD 4.09Å; F125-M129 WeakPolarHBondContact O-CG 3.45Å; F125-M129 PolarHBondContact O-N 2.97Å; R126-M129 PolarHBondContact O-N 3.16Å; R126-M129 VanDerWaalsContact O-N 3.12Å; M129-Y132 PolarHBondContact O-N 2.71Å; M129-Q133 WeakPolarHBondContact O-CB 3.42Å; M129-Q133 WeakPolarHBondContact O-CG 3.24Å; M129-Q133 PolarHBondContact O-N 2.64Å
130E61.3Low54.6Low83 Ų83110.8 Ų110.839%0.38855%0.545SS..Hα-helixtrans-66.2-42.5174.9-72.9168.2176.600111R126 Y132 Q133 N134R126-E130 HydrophobicContact CG-CG 4.38Å; R126-E130 WeakPolarHBondContact CG-OE1 3.49Å; R126-E130 IonicContact CZ-OE1 2.66Å; R126-E130 IonicContact NE-OE1 3.27Å; R126-E130 PolarHBondContact NE-OE1 3.47Å; R126-E130 IonicContact NH2-OE1 3.3Å; R126-E130 PolarHBondContact NH2-OE1 2.79Å; R126-E130 WeakPolarHBondContact O-CG 3.4Å; R126-E130 PolarHBondContact O-N 3.08Å; E130-Y132 PolarHBondContact O-N 2.85Å; E130-Q133 PolarHBondContact O-N 3.46Å; E130-N134 WeakPolarHBondContact O-CB 3.5Å; E130-N134 VanDerWaalsContact O-CG 3.28Å; E130-N134 PolarHBondContact O-N 3.44Å; E130-N134 PolarHBondContact O-ND2 2.91Å
131L57.4Low54.2Low105 Ų105113 Ų11355%0.5556%0.557SS.*Hα-helixtrans-57.9-45.3169.8-91.2162.6000112.3M127 N134 V135M127-L131 WeakPolarHBondContact O-CB 3.45Å; M127-L131 PolarHBondContact O-N 3.18Å; L131-N134 PolarHBondContact O-N 3.23Å; L131-V135 WeakPolarHBondContact O-CG2 3.5Å; L131-V135 PolarHBondContact O-N 3.1Å
132Y45.7Very low53.8Low140 Ų140114 Ų11455%0.54957%0.568SS.*Hα-helixtrans-65.8-41.4179.1-175.5-95.7000112.3I128 M129 E130 R136I128-Y132 WeakPolarHBondContact O-CB 3.37Å; I128-Y132 PolarHBondContact O-N 3.03Å; M129-Y132 PolarHBondContact O-N 2.71Å; E130-Y132 PolarHBondContact O-N 2.85Å; Y132-R136 VanDerWaalsContact O-CB 3.31Å; Y132-R136 WeakPolarHBondContact O-CB 3.35Å; Y132-R136 PolarHBondContact O-N 2.66Å
133Q64.7Low53.1Low104 Ų104118.1 Ų118.149%0.48658%0.584SS.*Hα-helixtrans-64.9-44175.5-75.9-174.82.300111.8M129 E130 R136 H137M129-Q133 WeakPolarHBondContact O-CB 3.42Å; M129-Q133 WeakPolarHBondContact O-CG 3.24Å; M129-Q133 PolarHBondContact O-N 2.64Å; E130-Q133 PolarHBondContact O-N 3.46Å; Q133-R136 PolarHBondContact O-N 2.83Å; Q133-H137 PolarHBondContact O-N 2.98Å; Q133-H137 PolarHBondContact O-ND1 3.02Å
134N64.1Low52.2Low107 Ų107119.2 Ų119.257%0.57259%0.591SS**Hα-helixtrans-60.4-49.5176.8-73.6-24.9000111.3E130 L131 R136 H137 S138E130-N134 WeakPolarHBondContact O-CB 3.5Å; E130-N134 VanDerWaalsContact O-CG 3.28Å; E130-N134 PolarHBondContact O-N 3.44Å; E130-N134 PolarHBondContact O-ND2 2.91Å; L131-N134 PolarHBondContact O-N 3.23Å; N134-R136 PolarHBondContact O-N 3.11Å; N134-H137 PolarHBondContact O-N 3.38Å; N134-S138 WeakPolarHBondContact O-CB 3.41Å; N134-S138 PolarHBondContact O-N 3.4Å; N134-S138 PolarHBondContact O-OG 3.4Å; N134-S138 VanDerWaalsContact O-OG 3.09Å
135V56.3Low51.8Low80 Ų80126.2 Ų126.249%0.48561%0.609SS.*Hα-helixtrans-61.6-29.8176.5171.80000112.6L131 R139L131-V135 WeakPolarHBondContact O-CG2 3.5Å; L131-V135 PolarHBondContact O-N 3.1Å; V135-R139 WeakPolarHBondContact O-CG 3.48Å
136R55.4Low51.3Low167 Ų167129.9 Ų129.963%0.6363%0.625SS**Hα-helixtrans-75-42.4176.6-170.5171.1-179.7168.3-1.3112.5Y132 Q133 N134 R139Y132-R136 VanDerWaalsContact O-CB 3.31Å; Y132-R136 WeakPolarHBondContact O-CB 3.35Å; Y132-R136 PolarHBondContact O-N 2.66Å; Q133-R136 PolarHBondContact O-N 2.83Å; N134-R136 PolarHBondContact O-N 3.11Å; R136-R139 PolarHBondContact O-N 2.9Å
137H55.7Low50.3Low123 Ų123128.5 Ų128.557%0.56964%0.636SS**Hα-helixtrans-70-38.8177.4-71.884.7000111.9Q133 N134 R139 S140Q133-H137 PolarHBondContact O-N 2.98Å; Q133-H137 PolarHBondContact O-ND1 3.02Å; N134-H137 PolarHBondContact O-N 3.38Å; H137-R139 PolarHBondContact O-N 3.22Å; H137-S140 PolarHBondContact O-N 2.97Å; H137-S140 PolarHBondContact O-OG 3.03Å
138S54.3Low49.3Very low96 Ų96128.1 Ų128.167%0.67164%0.644SS**THydrogen-bonded Turntrans-653.3172-56.70000114.7N134N134-S138 WeakPolarHBondContact O-CB 3.41Å; N134-S138 PolarHBondContact O-N 3.4Å; N134-S138 PolarHBondContact O-OG 3.4Å; N134-S138 VanDerWaalsContact O-OG 3.09Å
139R48.9Very low48.8Very low210 Ų210135.2 Ų135.279%0.79266%0.664SS**THydrogen-bonded Turntrans-121.82.9177.9-76-176.7169-166.8-2.8114.4V135 R136 H137V135-R139 WeakPolarHBondContact O-CG 3.48Å; R136-R139 PolarHBondContact O-N 2.9Å; H137-R139 PolarHBondContact O-N 3.22Å
140S50.9Low47.7Very low97 Ų97139.5 Ų139.568%0.67869%0.688SS**SBendtrans-113.55.1-178.461.30000115.2H137H137-S140 PolarHBondContact O-N 2.97Å; H137-S140 PolarHBondContact O-OG 3.03Å
141S46.5Very low46.5Very low95 Ų95143.1 Ų143.166%0.66471%0.71SS**SBendtrans-107.7-14.9-177.456.10000115.6
142E44.2Very low45.4Very low171 Ų171141.7 Ų141.780%0.79972%0.721SS**  trans-118.579.6-172-66.5-168.1165.900112.9
143H42Very low45Very low197 Ų197143 Ų14391%0.91274%0.736SS**  trans-127.940.8168.1-102.330.9000112.3
144S39.4Very low43.9Very low92 Ų92143.9 Ų143.964%0.64375%0.751SS**SBendtrans-158.8121.3164.7-1700000110.6
145R38Very low42.7Very low224 Ų224147.5 Ų147.585%0.84577%0.765SS**  trans56105.3167.2-52.6165-170.9173.21.9116.6
146F33.5Very low41.7Very low206 Ų206154.2 Ų154.290%0.90478%0.781SS**  -167.7121.4110.4-110.2-74.3000110.8
147S36.6Very low40.6Very low103 Ų103155.6 Ų155.672%0.7279%0.788SS**  trans-95.1161.1161.747.20000109.3
148C36Very low39.4Very low114 Ų114157.1 Ų157.177%0.7780%0.8SS**  trans66.487.5-175.1-57.80000115.6
149W36.3Very low38.5Very low249 Ų249164.5 Ų164.594%0.94381%0.813SS**  trans-155.560.9140.6-102.198.6000109.1
150L35.1Very low37.8Very low166 Ų166162.4 Ų162.487%0.86982%0.817SS**  trans-11973.4-178.2-116.4174000110
151N36.6Very low37.1Very low159 Ų159169.3 Ų169.385%0.8583%0.828SS**  trans-174.6110166.5-94.2-31.6000108.4
152G34.3Very low36.6Very low76 Ų76170.1 Ų170.178%0.78483%0.831SS**  trans148.454178.400000116.6
153L35.3Very low36.3Very low167 Ų167171.2 Ų171.287%0.87483%0.834SS**  trans-122.1118.7169.1-93.5170.2000110.1
154P42.3Very low36Very low122 Ų122169.3 Ų169.379%0.79283%0.825SS**  trans-70.5125.6161.9-13.429.4000109.4
155E39Very low35.6Very low184 Ų184169.8 Ų169.886%0.8683%0.828SS**  trans-68147.4173.8-57.7179.8110.700111.5
156R36.2Very low35.3Very low221 Ų221164.3 Ų164.383%0.83482%0.82SS**  -165.9129.1127.8-105.4164.4-166.5-149.80.6113.7
157Y32.1Very low35.5Very low195 Ų195164.3 Ų164.377%0.76582%0.82SS**  trans5090.4161.4-58.3-68000119.6
158N31Very low35.4Very low156 Ų156162.4 Ų162.483%0.83482%0.817SS**  -161.8116.8113.9-109.9-53.3000112.4
159R33.8Very low35.5Very low251 Ų251161.8 Ų161.895%0.94782%0.82SS**  trans-140.7100.1165-88.8-165.9174.6-175.81111.2
160L35.1Very low35.7Very low165 Ų165156.9 Ų156.986%0.86481%0.812SS**  trans-73.5129.9156.8-68.8165.9000109.3
161R36.8Very low35.8Very low242 Ų242155.8 Ų155.891%0.91381%0.807SS**  trans-173139.5138.6-105.8174-164.1-139.83.8110.6
162P35.8Very low36Very low113 Ų113152.7 Ų152.773%0.73480%0.797SS**  trans-88.5157.5171.436.3-34.1000111.6
163F36.4Very low36.3Very low194 Ų194155.7 Ų155.785%0.85180%0.801SS**  trans-161.2-176.5136.3-123.6-85000110.5
164Q36Very low36.5Very low157 Ų157152.7 Ų152.773%0.73479%0.793SS**  trans-97.8136.4-155.6-60.9166.5-66.700115.6
165S30.8Very low36.4Very low101 Ų101153.7 Ų153.771%0.70679%0.791SS**  72.7139.2127.676.20000123.9
166T33.4Very low36.6Very low109 Ų109153.7 Ų153.767%0.66979%0.791SS**  trans85.8140.8144.4-17.40000120.8
167F37.3Very low36.8Very low206 Ų206146.1 Ų146.190%0.90478%0.782SS**  trans66.5140.4174.2-63.4-81.9000117.4
168G34.2Very low37.6Very low64 Ų64145.1 Ų145.166%0.6679%0.789SS**  cis168.4163-8.700000114
169A37.1Very low38.5Very low101 Ų101142.6 Ų142.684%0.83578%0.783SS**  trans67.5158178.400000115.1
170L40.1Very low39Very low146 Ų146140 Ų14076%0.76478%0.782SS**  cis-138.6151.514.9-80.7164.2000112.6
171N38.7Very low39.5Very low143 Ų143135.4 Ų135.477%0.76577%0.774SS**  trans63.6144.6149.6-59.8-9.9000119.7
172S41.2Very low39.8Very low94 Ų94133.2 Ų133.266%0.65778%0.775SS**  cis-167.9144.4-7.542.60000112.7
173T39.8Very low40Very low139 Ų139136.7 Ų136.785%0.85378%0.778SS**  trans63.3145.4158.850.10000119.2
174S39.1Very low40Very low103 Ų103133.5 Ų133.572%0.7278%0.78SS**  cis-151.2154.5948.80000115.6
175L41.1Very low40.1Very low143 Ų143134 Ų13475%0.74979%0.786SS**  trans53122.4146.4-89.963.8000124.8
176H41.9Very low40.4Very low184 Ų184132.6 Ų132.685%0.85279%0.788SS**  trans57.1136144-60.7-51.9000122.5
177G42Very low40.8Very low62 Ų62132.4 Ų132.464%0.63979%0.791SS**  cis165.4169.6-8.700000115.6
178L47.5Very low40.8Very low175 Ų175127.8 Ų127.892%0.91678%0.784SS**  trans67.8153.8171.7-48.5178.4000115.5
179S50.9Low41.1Very low103 Ų103131.2 Ų131.272%0.7279%0.791SS**  cis-179.2155.3-17.750.60000108.6
180Q44Very low41.2Very low196 Ų196130.7 Ų130.792%0.91679%0.788SS**  cis-174.9138.4-15.5166.5174.5-42.300110
181G46.5Very low41.3Very low68 Ų68130.6 Ų130.670%0.70179%0.792SS**  trans92.5163.1166.400000117.4
182Q43.1Very low41.3Very low197 Ų197128.1 Ų128.192%0.92179%0.792SS**  cis-159.2168.6-17.5-143.5166.8-4.500111.6
183F38.3Very low41.2Very low185 Ų185129.5 Ų129.581%0.81180%0.802SS**  trans-85.7160.1-169.5-72.3-104.4000115.8
184S38Very low41.2Very low127 Ų127131.6 Ų131.689%0.88880%0.802SS**  trans-164.1160.6135.7-83.60000112.7
185I37.1Very low41.4Very low169 Ų169135.1 Ų135.187%0.86781%0.812SS**  trans-138.2146.3-169.1-69.7168.8000111.3
186G38.3Very low41.4Very low71 Ų71136.1 Ų136.173%0.73281%0.812SS**  trans150.5162.616200000113.4
187S40.5Very low41.1Very low105 Ų105132.7 Ų132.773%0.73481%0.809SS**  cis-172.5142.1-18.7174.80000109.9
188S37.6Very low41Very low109 Ų109136 Ų13676%0.76282%0.823SS**  trans59.3156.7161.453.10000116.9
189V41.3Very low40.4Very low135 Ų135132.7 Ų132.782%0.81881%0.814SS**  cis-149.8161.740.7162.40000110
190A38.4Very low39.9Very low91 Ų91137.9 Ų137.975%0.75282%0.824SS**  trans-116.3155.3175.900000113
191V41.6Very low39.4Very low143 Ų143132.5 Ų132.587%0.86781%0.813SS**  trans-143.2145.5155.1178.30000107.7
192A38.4Very low39.1Very low91 Ų91135 Ų13575%0.75282%0.82SS**  trans-124.3160.5176.900000110.9
193S41Very low38.8Very low124 Ų124136 Ų13687%0.86782%0.817SS**  trans-157.8131.2156.3-84.80000110.2
194E39.2Very low38.8Very low183 Ų183136 Ų13686%0.85582%0.819SS**  trans-87.8160.1165.7-60.2170.5103.400110.2
195L44Very low38.6Very low177 Ų177134.7 Ų134.793%0.92781%0.81SS**  trans-156.1157.5148.4-114.8166.9000110.7
196Q40.5Very low38.6Very low163 Ų163132.4 Ų132.476%0.76280%0.803SS**  trans-109.7155.3-155.2-65.7-179.8-11.800114.5
197S35.4Very low38.4Very low113 Ų113137 Ų13779%0.7981%0.808SS**  trans38.8122.3138.3-55.90000120.9
198S38.9Very low38.3Very low131 Ų131138.3 Ų138.392%0.91681%0.811SS**  -159.3157121.237.70000111.4
199S36.6Very low38.3Very low105 Ų105141.7 Ų141.773%0.73482%0.815SS**  trans-108.7144.3178.4176.70000109.8
200F39.9Very low38.1Very low213 Ų213138.4 Ų138.493%0.93481%0.808SS**  trans-143.4139154.6-117-83.5000109.8
201A33.1Very low38.2Very low83 Ų83143.3 Ų143.369%0.68682%0.816SS**  trans-107.3146.4178.900000110.6
202S40.1Very low37.9Very low120 Ų120145.2 Ų145.284%0.83982%0.815SS**  trans-137.8110.7168.854.50000108.6
203Y36.4Very low37.9Very low219 Ų219149.5 Ų149.586%0.85982%0.82SS**  trans-73.2134.4171.4-82.6-111.1000109.4
204E37.8Very low37.8Very low185 Ų185150.6 Ų150.686%0.86481%0.814SS**  trans-120.777.6164.5-168.4165.3-144.900108.6V206E204-V206 PolarHBondContact O-N 3.18Å
205S35.1Very low37.7Very low99 Ų99152.9 Ų152.969%0.69282%0.817SS**  trans-83.996.5177.253.20000110M207S205-M207 PolarHBondContact O-N 3.18Å
206V35.7Very low37.4Very low120 Ų120149.6 Ų149.673%0.72780%0.804SS**  trans-65.5117.4173.5178.20000109.5E204 V208E204-V206 PolarHBondContact O-N 3.18Å; V206-V208 PolarHBondContact O-N 3.08Å
207M34.1Very low37.1Very low168 Ų168150.9 Ų150.983%0.82881%0.81SS**  trans-66127.8169.7-70.7-88.6-74.800109.3S205S205-M207 PolarHBondContact O-N 3.18Å
208V39.6Very low37.2Very low132 Ų132156.5 Ų156.580%0.881%0.814SS**  trans-104.8110.8164177.10000106.7V206 G210V206-V208 PolarHBondContact O-N 3.08Å; V208-G210 PolarHBondContact O-N 2.85Å
209E37.7Very low37.2Very low181 Ų181155.5 Ų155.585%0.84681%0.807SS**  trans-69.2111.6167.7-68.6-178.6131.800108
210G37.3Very low36.9Very low66 Ų66159.5 Ų159.568%0.6882%0.817SS**  trans-90.5110.3172.900000109.7V208 Q212V208-G210 PolarHBondContact O-N 2.85Å; G210-Q212 PolarHBondContact O-N 3.45Å
211E39.5Very low36.7Very low193 Ų193157.7 Ų157.790%0.90281%0.811SS**  trans-6698.8170.3-70.1-178.2133.500109.4E213E211-E213 VanDerWaalsContact C-N 3.32Å; E211-E213 PolarHBondContact O-N 3.49Å; E211-E213 VanDerWaalsContact O-N 3.16Å
212Q35.5Very low36.8Very low184 Ų184162 Ų16286%0.8682%0.817SS**  trans-8867.9-177.9-168.4176.714.800110.4G210G210-Q212 PolarHBondContact O-N 3.45Å
213E37.7Very low36.4Very low181 Ų181161.3 Ų161.385%0.84681%0.808SS**  trans-68.5143172.4-71.4-153.7131.900111.9E211E211-E213 VanDerWaalsContact C-N 3.32Å; E211-E213 PolarHBondContact O-N 3.49Å; E211-E213 VanDerWaalsContact O-N 3.16Å
214I40.6Very low36.2Very low146 Ų146156.6 Ų156.675%0.74980%0.801SS**  trans-93.5117.4-160.6-62.1167.4000110.2T216I214-T216 PolarHBondContact O-N 2.87Å; I214-T216 VanDerWaalsContact O-N 3.08Å
215Y35.6Very low36.1Very low232 Ų232154.3 Ų154.391%0.9179%0.791SS**  trans-63.1108.1162.3-88.9-102000109.2
216T38Very low36.1Very low107 Ų107159.3 Ų159.366%0.65679%0.794SS**  trans-87.4108.116231.90000108.8I214 W218I214-T216 PolarHBondContact O-N 2.87Å; I214-T216 VanDerWaalsContact O-N 3.08Å; T216-W218 PolarHBondContact O-N 2.99Å
217E35.6Very low36Very low190 Ų190161.4 Ų161.489%0.88880%0.802SS**  trans-73.7115.3173.1-176.3171.2-160.800109.3
218W37.5Very low35.8Very low231 Ų231164.1 Ų164.188%0.87580%0.803SS**  trans-91.6109.8175.1-77.860000109.5T216T216-W218 PolarHBondContact O-N 2.99Å
219S38.2Very low35.7Very low111 Ų111164.8 Ų164.878%0.77681%0.807SS**  trans-69.1138.7178.152.10000112.5
220M29.9Very low35.5Very low189 Ų189162.1 Ų162.193%0.93181%0.805SS**  trans-79.8122.8166-72.6-173.2177.800111
221E35.9Very low35.3Very low175 Ų175162.5 Ų162.582%0.81881%0.809SS**  trans-152.5114.7153.2-107.2156.8-159.700106.6
222E35.3Very low35Very low174 Ų174159.8 Ų159.881%0.81381%0.806SS**  70.6112.9105-130.9-158.6-175.100112.8
223T31.7Very low34.8Very low104 Ų104158.9 Ų158.964%0.63881%0.806SS**  -179.3155.572.733.20000111.5
224V32.8Very low34.8Very low120 Ų120156.2 Ų156.273%0.72780%0.802SS**  trans54.3127.8133.9176.40000118.7
225Q34.5Very low34.5Very low137 Ų137154.7 Ų154.764%0.6480%0.801SS**  cis-161.3159.130.3-147.1163.691.800113.3
226R35.2Very low34.7Very low204 Ų204151.8 Ų151.877%0.7780%0.798SS**  trans25.4125.2151.4-71.4165.2-173.5151.5-7.4119.6
227D33.9Very low34.5Very low165 Ų165154.4 Ų154.488%0.88281%0.808SS**  -142.6166.799.9-141.1-23.9000112.2
228R30.8Very low34.8Very low225 Ų225151.2 Ų151.285%0.84980%0.801SS**  trans-132121.3-172.8-87.3-177.9167-177.9-4.2113.1
229V36.2Very low34.6Very low146 Ų146145.2 Ų145.289%0.88580%0.795SS**  trans-137.4123.8153.5-174.90000109.3
230P34.1Very low34.4Very low125 Ų125145.3 Ų145.381%0.81280%0.795SS**  trans-103151.9179.337.4-32.2000113.8
231G32.8Very low34.5Very low73 Ų73140.4 Ų140.475%0.75379%0.785SS**  trans124.4135.4178.500000111
232T32.3Very low34.6Very low137 Ų137138.8 Ų138.884%0.8478%0.782SS**  cis-142.7146.312.8-60.80000110.5
233L32Very low34.5Very low165 Ų165140 Ų14086%0.86478%0.78SS**  trans-89.5125.3175-82.7161.1000111.5
234V37Very low34.6Very low125 Ų125143.9 Ų143.976%0.75879%0.788SS**  trans-145.2105.7158.5-1760000110.2
235P35.9Very low34.6Very low114 Ų114143.3 Ų143.374%0.7479%0.79SS**  trans-98.6140.3152.834.5-26.9000109.7
236M40.2Very low34.8Very low170 Ų170146 Ų14684%0.83780%0.802SS**  trans-145.1102.3174-161169.8-16800110.8
237D33.8Very low34.7Very low162 Ų162144.2 Ų144.287%0.86680%0.803SS**  trans-72.6132.1172.1-64.3-66.1000110.9
238V40.2Very low34.8Very low124 Ų124143 Ų14375%0.75280%0.801SS**  trans-141.8134.4157.3-166.10000110.5
239S35Very low34.9Very low105 Ų105140.4 Ų140.473%0.73480%0.798SS**  trans-33.2152.8-176.255.10000121.6
240S32.8Very low34.9Very low113 Ų113138.4 Ų138.479%0.7980%0.798SS**  trans-91.2177152.351.80000112.4
241A33.2Very low34.9Very low86 Ų86136.1 Ų136.171%0.71180%0.796SS**  trans75.3151.8-17600000114.1
242D36.6Very low35.1Very low141 Ų141139 Ų13975%0.75480%0.795SS**  cis-139.3143.41.5-90.1-54.8000108.6
243Y34Very low35.3Very low198 Ų198138.3 Ų138.378%0.77678%0.782SS**  69.3121.281.5-98-56.4000118.9
244F33.9Very low35.6Very low186 Ų186140.1 Ų140.182%0.81678%0.777SS**  trans76.4152.6158.6-82.1-68.2000123.3
245S32.6Very low35.6Very low108 Ų108139.9 Ų139.976%0.75578%0.776SS**  trans-85.8164-162.7-35.90000115.3
246E38.9Very low35.6Very low194 Ų194138.3 Ų138.391%0.90777%0.767SS**  trans-143.9153.2143.6-135.4170.3-145.900110.8
247E32.1Very low35.3Very low167 Ų167137.7 Ų137.778%0.7876%0.763SS**  trans-134124.2-169.4178.1-175.3-170.800110
248V36.7Very low35.4Very low138 Ų138136.8 Ų136.884%0.83676%0.757SS**  trans-141.4131.1177.9-175.70000111.3
249Q31.8Very low35.2Very low171 Ų171136.1 Ų136.180%0.79975%0.753SS**  trans-101.6150.2178.3-56172.3-2.900111.8
250A38.1Very low35Very low105 Ų105136.8 Ų136.887%0.86875%0.753SS**  trans-177140.4144.900000113.5
251G33.6Very low34.8Very low76 Ų76140 Ų14078%0.78476%0.758SS**  trans77104.2165.200000115.3
252D36Very low34.8Very low135 Ų135139.8 Ų139.872%0.72276%0.763SS**  cis81.8132.429.6-165.536000116
253Q37.9Very low34.7Very low122 Ų122142 Ų14257%0.5777%0.769SS**  trans70.3144.2175.9-41.2-170.717.700115.1
254R38.2Very low34.5Very low203 Ų203143.1 Ų143.177%0.76677%0.774SS**  cis-170.8161.3-4.5-112.6168.9-150175.610107.4
255V36.5Very low34.6Very low120 Ų120139.4 Ų139.473%0.72777%0.768SS**  cis-162.7-176.41.873.40000110.9
256S36.3Very low34.5Very low81 Ų81139.4 Ų139.457%0.56677%0.767SS**  trans-11.1158.3155.7-66.40000122.1
257Q33.9Very low34.2Very low157 Ų157137 Ų13773%0.73476%0.76SS**  cis-168.51513.5-112.7163.559.900113.4
258L36.2Very low34.1Very low142 Ų142136.6 Ų136.674%0.74376%0.763SS**  trans51.1119.2139.2-65.6166.7000125.1
259T34.8Very low34Very low111 Ų111135.4 Ų135.468%0.68176%0.762SS**  83.696.4123.6-51.70000123.6
260T30.7Very low33.9Very low119 Ų119133.2 Ų133.273%0.7376%0.759SS**  44143.8116.4-24.40000124.2
261M29.5Very low33.7Very low181 Ų181135.2 Ų135.289%0.89275%0.754SS**  trans92.5118.4159.6-55.8-63.3-76.800118.5
262G32.3Very low33.7Very low80 Ų80138.8 Ų138.883%0.82575%0.75SS**  trans165.7120.3167.300000115.3
263Q34.8Very low33.6Very low187 Ų187141.7 Ų141.787%0.87476%0.757SS**  trans-71.9156-169.6-66147.7-4900117
264Y30.4Very low33.4Very low222 Ų222142.6 Ų142.687%0.87176%0.764SS**  trans-5.4164145.6-69.5-80.4000121.4
265P36.5Very low33Very low108 Ų108139.6 Ų139.670%0.70176%0.763SS**  cis-137.7-178.4-11.135.8-15.7000115.9
266C29.8Very low32.8Very low108 Ų108141.1 Ų141.173%0.7377%0.766SS**  trans54.3109147.4-100.40000121.3
267N33.1Very low32.6Very low143 Ų143145.7 Ų145.777%0.76578%0.779SS**  176.2161.896-90.4-11.2000114.2
268D30Very low32.5Very low159 Ų159144.8 Ų144.885%0.8579%0.788SS**  trans-37131.8-176.6-52.1-42.9000118.1
269S34.2Very low32.3Very low114 Ų114144 Ų14480%0.79779%0.79SS**  trans-156.3118.6142.335.90000113.3
270V29.4Very low32.2Very low124 Ų124144.5 Ų144.575%0.75280%0.795SS**  trans-6.4129.4159.6-175.50000118.1E272V270-E272 HydrophobicContact CG1-CG 3.9Å
271I33.9Very low32.3Very low147 Ų147145.3 Ų145.375%0.75480%0.799SS**  trans-126.5119.9142.6-61.7-178.7000107.7F273I271-F273 HydrophobicContact CG2-CD2 3.91Å; I271-F273 HydrophobicContact CG2-CE2 3.75Å
272E32.7Very low32.3Very low152 Ų152142.4 Ų142.471%0.7179%0.792SS**  trans-78.8138.2171.7-64.4175.1111.700110.5V270V270-E272 HydrophobicContact CG1-CG 3.9Å
273F34.4Very low32.4Very low196 Ų196146.8 Ų146.886%0.8679%0.791SS**  trans-133.9102.2155.7-89.6-77000109.5I271I271-F273 HydrophobicContact CG2-CD2 3.91Å; I271-F273 HydrophobicContact CG2-CE2 3.75Å
274I34.7Very low32.1Very low141 Ų141146.1 Ų146.172%0.72379%0.79SS**  trans-77.3129.1170.8-62164000107.5
275D28.9Very low32.3Very low139 Ų139141.8 Ų141.874%0.74379%0.786SS**  178.5172.299.2-144.4-18.6000112.9
276L33.3Very low32.1Very low152 Ų152139.5 Ų139.580%0.79678%0.781SS**  trans75.183.8162.1-69.2156.6000117.2
277E31Very low32Very low178 Ų178141.1 Ų141.183%0.83279%0.788SS**  trans-57.9147.2160.4-53.5178.3119.100112.2
278C32.3Very low32.1Very low137 Ų137139.4 Ų139.493%0.92679%0.785SS**  trans-155.385.3157.6-102.10000110.2
279T31.8Very low32.2Very low126 Ų126139.6 Ų139.677%0.77378%0.78SS**PPolyproline II helixtrans-80.4146.617139.80000111.2V281T279-V281 PolarHBondContact O-N 3.3Å
280P32.3Very low32.1Very low121 Ų121141 Ų14179%0.78678%0.778SS**PPolyproline II helixtrans-78.4122.6-17730.4-33.6000111.5V282P280-V282 PolarHBondContact O-N 2.92Å
281V32.9Very low32.3Very low136 Ų136141.2 Ų141.282%0.82478%0.78SS**PPolyproline II helixtrans-73.1122.8169.91780000109.4T279T279-V281 PolarHBondContact O-N 3.3Å
282V30.6Very low32.1Very low121 Ų121139.6 Ų139.673%0.73378%0.777SS**  trans-99.3108.2167.6177.20000107.7P280P280-V282 PolarHBondContact O-N 2.92Å
283E33.4Very low32.1Very low172 Ų172139.4 Ų139.480%0.80478%0.78SS**  trans-93.3110.7175.9-161.3168.3-139.700109.8V285E283-V285 HydrophobicContact CG-CG2 4.39Å
284M29.4Very low32.1Very low173 Ų173137.9 Ų137.985%0.85278%0.776SS**  trans-130.1114.2170.6-134.9-165.7-60.800108.2
285V33.7Very low32Very low131 Ų131139.4 Ų139.479%0.79478%0.78SS**  trans-117.8132.1179.1-179.70000108.7E283E283-V285 HydrophobicContact CG-CG2 4.39Å
286G31.9Very low32.4Very low59 Ų59141.7 Ų141.761%0.60879%0.786SS**  trans-100.4138.9-175.900000114.4
287V28.8Very low32.6Very low143 Ų143142.8 Ų142.887%0.86779%0.787SS**  31.1123.2110.8-169.10000114.6
288P34.9Very low32.7Very low107 Ų107140.3 Ų140.370%0.69579%0.79SS**  -152.7169.166.542.4-22.8000120.9
289E32.8Very low33Very low163 Ų163137.2 Ų137.276%0.76277%0.774SS**  trans71.1126.6144.6-81.3179149.300124.5
290L30.9Very low33.4Very low142 Ų142138.9 Ų138.974%0.74378%0.778SS**  trans59.1142.6140.5-62.4163.9000119
291T34.5Very low33.8Very low130 Ų130136.7 Ų136.780%0.79877%0.77SS**  cis-150.317035.1-40.80000112.1
292T29.2Very low34.2Very low113 Ų113139.4 Ų139.469%0.69377%0.774SS**  trans-86.4151.5-178.346.20000114.8
293L33.2Very low34.7Very low147 Ų147137.7 Ų137.777%0.7777%0.772SS**  165.1151.3114.8-89.6171.4000114.3
294Q34.4Very low35.1Very low164 Ų164135.3 Ų135.377%0.76678%0.775SS**  trans58.4131160.2-67.7169.3-49.200118.3
295Q31.2Very low35.5Very low173 Ų173135.7 Ų135.781%0.80877%0.774SS**  cis88.491.434.7-171.1-167.7-12.200114.1
296E38.6Very low35.9Very low187 Ų187133.7 Ų133.787%0.87476%0.764SS**  trans173.3157.7153.2-100.1171.4-172.500105.8
297E36.8Very low36.3Very low175 Ų175138.2 Ų138.282%0.81877%0.773SS**  cis-152.7154-31.8-166.9179.5-159.500105.4
298S33.8Very low36.9Very low127 Ų127135.8 Ų135.889%0.88876%0.763SS**  trans-146.9113.9174.5-170.30000111.8
299A38.5Very low37.2Very low72 Ų72139.1 Ų139.160%0.59577%0.769SS**  trans-143.3145-176.300000111.4
300N40.8Very low37.4Very low161 Ų161136.9 Ų136.986%0.86177%0.772SS**  trans68.5142.8166.2-66.5-36.4000117.8
301A39.7Very low37.8Very low75 Ų75135.9 Ų135.962%0.6277%0.771SS**  cis-161.5164.3-11.200000111.9
302Q41.4Very low38Very low192 Ų192137.7 Ų137.790%0.89778%0.775SS**  trans32.7142.4139.4-65.9-179.98.600120.5
303A40.2Very low38.2Very low85 Ų85135.2 Ų135.270%0.70277%0.771SS**  cis-163.3161.7-4.300000107.1
304S42.9Very low38.4Very low122 Ų122135.8 Ų135.885%0.85378%0.775SS**  -172.9162.973-62.70000112.1
305Q36.5Very low38.5Very low181 Ų181135.5 Ų135.585%0.84677%0.773SS**  trans-133.3-160.9-176.8-130.3-168.18.800107.2
306P43.2Very low38.9Very low89 Ų89132.8 Ų132.858%0.57876%0.764SS**  cis-138.4-161.4-15.624.33.3000114.2
307L39.8Very low39Very low154 Ų154132.6 Ų132.681%0.80676%0.76SS**  trans83.9142.3155.1-56.5-176.5000118.7
308S41.8Very low39Very low93 Ų93130 Ų13065%0.6576%0.761SS**  cis-160.7141.5-5.242.70000114.9
309E40Very low39.3Very low176 Ų176127.6 Ų127.682%0.82276%0.757SS**  trans50.7117.2137.7-58.6-179159.500122.8
310S38.9Very low39.3Very low117 Ų117132.8 Ų132.882%0.81877%0.769SS**  161.217197.952.70000112.4
311T37.4Very low39.8Very low120 Ų120132.7 Ų132.774%0.73677%0.766SS**  -167.4167-54.3-75.90000106.3
312I38.7Very low40.1Very low168 Ų168135.1 Ų135.186%0.86278%0.776SS**  trans80.1133.2177.7-44171.8000113.9
313G34Very low40.1Very low61 Ų61129.8 Ų129.863%0.62977%0.772SS**  cis154.3160.2-6.900000113.6
314L37.2Very low40.1Very low160 Ų160131.7 Ų131.784%0.83878%0.781SS**  trans84.4117.9-172.6-55.1164.9000114.1
315E37.3Very low40.5Very low158 Ų158131.5 Ų131.574%0.73878%0.776SS**  cis80.1138.642.2-64.2-158.2140.500113.9
316L38.8Very low41Very low115 Ų115128.8 Ų128.860%0.60277%0.772SS**  cis-159.6177.97.5-127.7169000112.6
317F40.6Very low41.1Very low184 Ų184129.8 Ų129.881%0.80777%0.772SS**  trans85112.1163.5-72.2-68.4000121.4
318S37.3Very low41.3Very low119 Ų119129.9 Ų129.983%0.83277%0.769SS**  trans-93.2168.9170.6-44.70000112.5
319G40.3Very low41.5Very low77 Ų77130.5 Ų130.579%0.79477%0.768SS**  trans-155101.9165.900000111.9
320E38.8Very low41.8Very low182 Ų182128.8 Ų128.885%0.8577%0.765SS**  trans-78.8171.8173.9-59.8172113.900109.9
321I51.5Low42Very low158 Ų158130.2 Ų130.281%0.8176%0.759SS**  -16115353.3-77.7-178.8000109.6
322P44.8Very low42.3Very low127 Ų127134.1 Ų134.183%0.82576%0.76SS**  trans-102.5-178.8-169.540.4-37.2000116.1
323G42.3Very low42.6Very low79 Ų79131.8 Ų131.881%0.81476%0.758SS**  trans-153.7135172.600000114.2
324S39.9Very low42.9Very low126 Ų126131.9 Ų131.988%0.88176%0.76SS**  trans-80.5172.7-164.1-82.60000117.9
325P51.3Low43Very low118 Ų118130.5 Ų130.577%0.76676%0.76SS**  trans-102.7-132-169.342.9-36.1000113.8
326V46.5Very low43.2Very low123 Ų123129.5 Ų129.575%0.74577%0.765SS**  trans91.8128.2-177.6177.60000113.7
327N45.7Very low43Very low110 Ų110132.4 Ų132.459%0.58878%0.775SS**  cis-153.7167-7.4-113.522000111.7
328E44.7Very low42.9Very low157 Ų157128.8 Ų128.873%0.73477%0.773SS**  trans27.5158.9132.2-53.2168.2162.200121.7
329T46.7Very low42.7Very low105 Ų105132.8 Ų132.864%0.64478%0.775SS**  cis-158.5161.617.4-15.20000111.5
330D46.1Very low42.7Very low140 Ų140138 Ų13875%0.74978%0.779SS**  trans46148.7135.7-706.5000123.9
331E42.4Very low42.7Very low147 Ų147135.9 Ų135.969%0.68778%0.779SS**  cis-165.7-179.6-15.7-138.2-153.4169.200110.9
332R44.2Very low42.1Very low203 Ų203133.8 Ų133.877%0.76678%0.775SS**  trans77.3122.7143.8-99.6168-172.2-136.9-7.2124.3
333S43.5Very low42Very low118 Ų118137.4 Ų137.483%0.82578%0.778SS**  trans54.8143.2136.462.80000120.9
334G40.8Very low41.9Very low64 Ų64144 Ų14466%0.6679%0.785SS**  cis-173.4177.34.500000110.7
335P39.1Very low42Very low131 Ų131143.4 Ų143.485%0.85178%0.78SS**  trans-85.9148.5-161.233.3-36.3000115.1
336V42.1Very low41Very low137 Ų137141.7 Ų141.783%0.8379%0.785SS**  trans-140.1123.2163.6179.40000109.2
337E35Very low40.7Very low176 Ų176142 Ų14282%0.82279%0.787SS**  trans-77.2142.7171.4-60.7178.4114.100111.1
338S39Very low40.3Very low108 Ų108146.4 Ų146.476%0.75580%0.801SS**  trans-152.3118.1155.953.50000111.5Q340S338-Q340 PolarHBondContact O-N 2.87Å
339F31.7Very low40.2Very low202 Ų202144.2 Ų144.289%0.88680%0.8SS**  trans-77.3111.7172-86.2-103.4000109.9
340Q40.2Very low39.8Very low186 Ų186148.3 Ų148.387%0.86981%0.812SS**  trans-138.8121.1160.9-70.7-164.8500111.8S338S338-Q340 PolarHBondContact O-N 2.87Å
341T38.3Very low39.4Very low138 Ų138146.4 Ų146.485%0.84782%0.815SS**  trans-133.8164164.157.30000108.3
342P40.4Very low38.9Very low114 Ų114142.7 Ų142.774%0.7482%0.817SS**  cis-120.2164-11.337.9-25.4000113
343K42.6Very low38.5Very low204 Ų204139.4 Ų139.489%0.88781%0.812SS**  trans-127.4130.5153-82.4-173.7175.9175.90109.9S345K343-S345 PolarHBondContact O-N 3.24Å
344K40.8Very low38.1Very low217 Ų217140 Ų14094%0.94381%0.81SS**  trans-75.5107.2178.8-68.1178.6177.1179.30110
345S40.8Very low38.5Very low113 Ų113146.2 Ų146.279%0.7981%0.814SS**  trans-134.9128.315650.30000108.4K343 V347K343-S345 PolarHBondContact O-N 3.24Å; S345-V347 PolarHBondContact O-N 3.29Å
346G31.3Very low38.7Very low83 Ų83144.9 Ų144.986%0.85680%0.803SS**  trans-81.7110.8-167.900000113.1
347V39.8Very low39.5Very low130 Ų130141.2 Ų141.279%0.78878%0.782SS**  trans-133.4112.9153.7-177.70000106.7S345 P349S345-V347 PolarHBondContact O-N 3.29Å; V347-P349 VanDerWaalsContact O-CD 3.22Å; V347-P349 WeakPolarHBondContact O-CD 3.37Å
348F38Very low41.3Very low201 Ų201136.4 Ų136.488%0.88277%0.765SS**PPolyproline II helixtrans-70.8116.6170.4-84.4-91.2000108.6Q350F348-Q350 PolarHBondContact O-N 3.5Å
349P40.7Very low43Very low111 Ų111134.7 Ų134.772%0.72175%0.751SS**PPolyproline II helixtrans-63.5134.2159.929.3-32.2000107.4V347 A351V347-P349 VanDerWaalsContact O-CD 3.22Å; V347-P349 WeakPolarHBondContact O-CD 3.37Å; P349-A351 PolarHBondContact O-N 3.36Å
350Q38.8Very low44.7Very low192 Ų192129.1 Ų129.190%0.89773%0.733SS**PPolyproline II helixtrans-53.4138.5172.5-70.2179.1-14.300109.1F348 G352F348-Q350 PolarHBondContact O-N 3.5Å; Q350-G352 VanDerWaalsContact C-N 3.3Å; Q350-G352 PolarHBondContact O-N 2.77Å
351A37.4Very low46.4Very low99 Ų99126.2 Ų126.282%0.81872%0.718SS**  trans-6489.7-176.300000110.9P349 M353P349-A351 PolarHBondContact O-N 3.36Å; A351-M353 PolarHBondContact O-N 3.11Å
352G32.1Very low48.2Very low70 Ų70124.2 Ų124.272%0.72270%0.695SS**  trans-68.862.4172.100000110.4Q350 V354Q350-G352 VanDerWaalsContact C-N 3.3Å; Q350-G352 PolarHBondContact O-N 2.77Å; G352-V354 PolarHBondContact O-N 3.43Å
353M35.9Very low49.7Very low133 Ų133120 Ų12066%0.65567%0.67SS**  trans-6895.5-174.9-163.1-179.291.700108.1A351 R355A351-M353 PolarHBondContact O-N 3.11Å; M353-R355 HydrophobicContact CE-CG 3.63Å; M353-R355 PolarHBondContact O-N 2.99Å
354V34.5Very low51Low130 Ų130114.4 Ų114.479%0.78864%0.644SS**  trans-62.687.8178.2-178.60000108.1G352 T356G352-V354 PolarHBondContact O-N 3.43Å; V354-T356 PolarHBondContact O-N 3.34Å
355R49.3Very low52.7Low196 Ų196105.8 Ų105.874%0.7461%0.613SS**  trans-69.381.7178.3-78.7176.6169169.1-0108.5M353 P357M353-R355 HydrophobicContact CE-CG 3.63Å; M353-R355 PolarHBondContact O-N 2.99Å; R355-P357 VanDerWaalsContact O-N 3.13Å
356T44.4Very low54.6Low102 Ų102101.5 Ų101.563%0.62659%0.585SS**  trans-45.6120.6166.942.80000108.1V354 T358V354-T356 PolarHBondContact O-N 3.34Å; T356-T358 PolarHBondContact O-N 3.33Å; T356-T358 VanDerWaalsContact O-N 3.12Å
357P59.2Low56.6Low61 Ų6198.2 Ų98.240%0.39655%0.549SS..  trans-63.8123.5-177.822.2-30.4000107.9R355 K361 R362R355-P357 VanDerWaalsContact O-N 3.13Å; P357-K361 HydrophobicContact CB-CB 3.85Å; P357-R362 HydrophobicContact CB-CG 3.96Å; P357-R362 HydrophobicContact CG-CG 3.89Å; P357-R362 WeakPolarHBondContact O-CG 3.12Å; P357-R362 PolarHBondContact O-NE 3.34Å
358T72.1Confident58.6Low74 Ų7494.5 Ų94.545%0.45452%0.523SS..  trans-54.6155.6174.553.80000110T356 V360 K361 R362T356-T358 PolarHBondContact O-N 3.33Å; T356-T358 VanDerWaalsContact O-N 3.12Å; T358-V360 PolarHBondContact O-N 2.88Å; T358-K361 WeakPolarHBondContact O-CA 3.32Å; T358-K361 WeakPolarHBondContact O-CB 3.39Å; T358-K361 PolarHBondContact O-N 3.09Å; T358-R362 PolarHBondContact O-N 3.18Å
359P75.2Confident60.8Low73 Ų7394.7 Ų94.747%0.47452%0.518SS..Hα-helixtrans-49.5-40.1-179-30.536.7000113.1R362 A363 L391P359-R362 PolarHBondContact O-N 2.71Å; P359-A363 PolarHBondContact O-N 3.48Å; P359-L391 HydrophobicContact CB-CD2 4.26Å
360V68.1Low62.7Low84 Ų8494.9 Ų94.951%0.50951%0.505SS..Hα-helixtrans-58.2-48.6172.6-179.10000112.4T358 R362 A363 Y364T358-V360 PolarHBondContact O-N 2.88Å; V360-R362 VanDerWaalsContact C-N 3.3Å; V360-R362 PolarHBondContact O-N 2.93Å; V360-A363 PolarHBondContact O-N 2.93Å; V360-Y364 HydrophobicContact CG1-CD2 3.82Å; V360-Y364 HydrophobicContact CG1-CE2 3.74Å; V360-Y364 VanDerWaalsContact O-CD2 3.28Å; V360-Y364 WeakPolarHBondContact O-CD2 3.35Å; V360-Y364 PolarHBondContact O-N 3.03Å
361K75Confident64.5Low125 Ų12592.4 Ų92.454%0.54349%0.488SS..Hα-helixtrans-64.8-32.3176.8-73.6179.6178179.80112.7P357 T358 A365P357-K361 HydrophobicContact CB-CB 3.85Å; T358-K361 WeakPolarHBondContact O-CA 3.32Å; T358-K361 WeakPolarHBondContact O-CB 3.39Å; T358-K361 PolarHBondContact O-N 3.09Å; K361-A365 WeakPolarHBondContact O-CB 3.19Å; K361-A365 PolarHBondContact O-N 3.07Å
362R75.4Confident66.7Low97 Ų9789.3 Ų89.337%0.36647%0.466SS..Hα-helixtrans-67.8-44.3173.8-63.6-174.7-174.9-146.41.2111.2P357 T358 P359 V360 A365 A366 L391 Y395P357-R362 HydrophobicContact CB-CG 3.96Å; P357-R362 HydrophobicContact CG-CG 3.89Å; P357-R362 WeakPolarHBondContact O-CG 3.12Å; P357-R362 PolarHBondContact O-NE 3.34Å; T358-R362 PolarHBondContact O-N 3.18Å; P359-R362 PolarHBondContact O-N 2.71Å; V360-R362 VanDerWaalsContact C-N 3.3Å; V360-R362 PolarHBondContact O-N 2.93Å; R362-A365 CarbonylContact O-C 3.59Å; R362-A365 PolarHBondContact O-N 3.41Å; R362-A366 PolarHBondContact O-N 3.25Å; R362-L391 HydrophobicContact CB-CD1 4.22Å; R362-Y395 WeakPolarHBondContact CD-OH 3.3Å; R362-Y395 PolarHBondContact NE-OH 3.38Å; R362-Y395 PolarHBondContact NH1-OH 3.39Å
363A72Confident69Low26 Ų2695.7 Ų95.722%0.21547%0.474CS..Hα-helixtrans-60.4-46.6174.600000112P359 V360 A365 A366 A367P359-A363 PolarHBondContact O-N 3.48Å; V360-A363 PolarHBondContact O-N 2.93Å; A363-A365 VanDerWaalsContact C-N 3.33Å; A363-A365 PolarHBondContact O-N 3.44Å; A363-A366 PolarHBondContact O-N 3.42Å; A363-A366 VanDerWaalsContact O-N 3.14Å; A363-A367 WeakPolarHBondContact O-CB 3.31Å; A363-A367 PolarHBondContact O-N 3.41Å
364Y69.9Low70.6Confident85 Ų8591 Ų9133%0.33345%0.451SS..Hα-helixtrans-60.8-39.4173.6-83.9-74.7000112.7V360 A366 A367 E368 L379V360-Y364 HydrophobicContact CG1-CD2 3.82Å; V360-Y364 HydrophobicContact CG1-CE2 3.74Å; V360-Y364 VanDerWaalsContact O-CD2 3.28Å; V360-Y364 WeakPolarHBondContact O-CD2 3.35Å; V360-Y364 PolarHBondContact O-N 3.03Å; Y364-A366 VanDerWaalsContact C-N 3.32Å; Y364-A366 PolarHBondContact O-N 2.65Å; Y364-A367 PolarHBondContact O-N 3.32Å; Y364-E368 VanDerWaalsContact O-CB 3.3Å; Y364-E368 WeakPolarHBondContact O-CB 3.26Å; Y364-E368 WeakPolarHBondContact O-CG 3.39Å; Y364-E368 PolarHBondContact O-N 2.86Å; Y364-L379 HydrophobicContact CE1-CD2 4.36Å; Y364-L379 VanDerWaalsContact OH-CD2 3.25Å; Y364-L379 WeakPolarHBondContact OH-CD2 3.3Å
365A77.4Confident71.8Confident36 Ų3689 Ų8930%0.29844%0.436SS..Hα-helixtrans-71.7-22.3176.100000113.8K361 R362 A363 R369K361-A365 WeakPolarHBondContact O-CB 3.19Å; K361-A365 PolarHBondContact O-N 3.07Å; R362-A365 CarbonylContact O-C 3.59Å; R362-A365 PolarHBondContact O-N 3.41Å; A363-A365 VanDerWaalsContact C-N 3.33Å; A363-A365 PolarHBondContact O-N 3.44Å; A365-R369 WeakPolarHBondContact O-CD 3.45Å; A365-R369 VanDerWaalsContact O-CG 3.29Å; A365-R369 WeakPolarHBondContact O-CG 3.25Å
366A79.8Confident72.1Confident24 Ų2488.1 Ų88.120%0.19843%0.432CS..Hα-helixtrans-76.9-45.717000000110.7R362 A363 Y364 R369 R370R362-A366 PolarHBondContact O-N 3.25Å; A363-A366 PolarHBondContact O-N 3.42Å; A363-A366 VanDerWaalsContact O-N 3.14Å; Y364-A366 VanDerWaalsContact C-N 3.32Å; Y364-A366 PolarHBondContact O-N 2.65Å; A366-R369 WeakPolarHBondContact O-CB 3.37Å; A366-R369 PolarHBondContact O-N 2.89Å; A366-R369 VanDerWaalsContact O-N 3.12Å; A366-R370 WeakPolarHBondContact O-CG 3.48Å; A366-R370 PolarHBondContact O-N 3.39Å
367A73.3Confident72.6Confident14 Ų1491.1 Ų91.112%0.11644%0.439CS..Hα-helixtrans-65.2-39.7177.100000112.3A363 Y364 R369 R370 Y371 I374A363-A367 WeakPolarHBondContact O-CB 3.31Å; A363-A367 PolarHBondContact O-N 3.41Å; Y364-A367 PolarHBondContact O-N 3.32Å; A367-R369 PolarHBondContact O-N 3.03Å; A367-R370 PolarHBondContact O-N 3.01Å; A367-Y371 HydrophobicContact CB-CD2 4.34Å; A367-Y371 PolarHBondContact O-N 3.12Å; A367-I374 HydrophobicContact CB-CD1 3.45Å; A367-I374 VanDerWaalsContact CB-CD1 3.45Å
368E82.5Confident71.7Confident52 Ų5293.5 Ų93.524%0.24345%0.448CS..Hα-helixtrans-62-23.4172.9-79.5179.4175.100112.8Y364 G372 I374 R376Y364-E368 VanDerWaalsContact O-CB 3.3Å; Y364-E368 WeakPolarHBondContact O-CB 3.26Å; Y364-E368 WeakPolarHBondContact O-CG 3.39Å; Y364-E368 PolarHBondContact O-N 2.86Å; E368-G372 CarbonylContact C-O 3.55Å; E368-G372 VanDerWaalsContact CA-O 3.3Å; E368-G372 WeakPolarHBondContact CA-O 3.44Å; E368-G372 CarbonylContact O-C 3.58Å; E368-G372 WeakPolarHBondContact O-CA 3.36Å; E368-G372 PolarHBondContact O-N 3.49Å; E368-I374 HydrophobicContact CG-CB 4.28Å; E368-I374 HydrophobicContact CG-CG1 4.36Å; E368-R376 IonicContact OE1-CZ 2.63Å; E368-R376 VanDerWaalsContact OE1-CZ 3.31Å; E368-R376 IonicContact OE1-NE 2.71Å; E368-R376 PolarHBondContact OE1-NE 3.48Å; E368-R376 IonicContact OE1-NH2 2.67Å; E368-R376 PolarHBondContact OE1-NH2 2.94Å; E368-R376 IonicContact OE2-NH2 2.72Å; E368-R376 PolarHBondContact OE2-NH2 3.31Å
369R84.6Confident70.3Confident205 Ų20595.6 Ų95.677%0.77446%0.456SS*.Hα-helixtrans-84.7-37172.1-69.8170.7-173.2133.7-6113A365 A366 A367A365-R369 WeakPolarHBondContact O-CD 3.45Å; A365-R369 VanDerWaalsContact O-CG 3.29Å; A365-R369 WeakPolarHBondContact O-CG 3.25Å; A366-R369 WeakPolarHBondContact O-CB 3.37Å; A366-R369 PolarHBondContact O-N 2.89Å; A366-R369 VanDerWaalsContact O-N 3.12Å; A367-R369 PolarHBondContact O-N 3.03Å
370R79Confident69.3Low114 Ų11497.5 Ų97.543%0.4347%0.466SS..Hα-helixtrans-75.1-41.8-178-73.3174.8170.6-148.7-10.3112.7A366 A367 D387 E390A366-R370 WeakPolarHBondContact O-CG 3.48Å; A366-R370 PolarHBondContact O-N 3.39Å; A367-R370 PolarHBondContact O-N 3.01Å; R370-D387 IonicContact CZ-OD1 3.23Å; R370-D387 IonicContact NE-OD1 3.04Å; R370-D387 IonicContact NH1-OD1 3.75Å; R370-D387 PolarHBondContact NH1-OD1 3.17Å; R370-E390 IonicContact CZ-OE2 3.71Å; R370-E390 VanDerWaalsContact CZ-OE2 3.3Å; R370-E390 IonicContact NE-OE2 3.31Å; R370-E390 IonicContact NH2-OE2 3.4Å; R370-E390 PolarHBondContact NH2-OE2 3.23Å
371Y78.7Confident68.6Low141 Ų14199.1 Ų99.155%0.55347%0.471SS*.SBendtrans-116.37.4-170.3-54.7-70000113.6A367A367-Y371 HydrophobicContact CB-CD2 4.34Å; A367-Y371 PolarHBondContact O-N 3.12Å
372G83.5Confident68.2Low34 Ų3496.7 Ų96.735%0.35147%0.468SS..SBendtrans73.6-167.1-172.200000112.8E368 I374E368-G372 CarbonylContact C-O 3.55Å; E368-G372 VanDerWaalsContact CA-O 3.3Å; E368-G372 WeakPolarHBondContact CA-O 3.44Å; E368-G372 CarbonylContact O-C 3.58Å; E368-G372 WeakPolarHBondContact O-CA 3.36Å; E368-G372 PolarHBondContact O-N 3.49Å; G372-I374 PolarHBondContact O-N 2.9Å
373K79.9Confident68Low204 Ų20493.8 Ų93.889%0.88746%0.461SS*.SBendtrans-67.994.8-171-173.9-173.6177-172.40112.1D375K373-D375 PolarHBondContact O-N 2.89Å
374I68.4Low68.2Low33 Ų3394.8 Ų94.817%0.16947%0.465CS..  trans-62.5126.6173.7-59.3175.6000109.5A367 E368 G372 R376A367-I374 HydrophobicContact CB-CD1 3.45Å; A367-I374 VanDerWaalsContact CB-CD1 3.45Å; E368-I374 HydrophobicContact CG-CB 4.28Å; E368-I374 HydrophobicContact CG-CG1 4.36Å; G372-I374 PolarHBondContact O-N 2.9Å; I374-R376 PolarHBondContact O-N 3.24Å
375D59.9Low68.3Low89 Ų8994.9 Ų94.948%0.47647%0.471SS..  trans-68.5122.2170.9-173.7-5.6000109.6K373 E377 L378K373-D375 PolarHBondContact O-N 2.89Å; D375-E377 PolarHBondContact O-N 3.49Å; D375-E377 PolarHBondContact OD1-N 3Å; D375-L378 HydrophobicContact CB-CB 4.18Å; D375-L378 HydrophobicContact CB-CD1 4.16Å; D375-L378 HydrophobicContact CB-CG 4.22Å; D375-L378 CarbonylContact O-C 3.59Å; D375-L378 PolarHBondContact O-N 3.14Å
376R56.9Low68.2Low178 Ų17898.1 Ų98.167%0.67248%0.48SS*.THydrogen-bonded Turntrans-75.5-9.3-176.4-61.5178.7-178.4169.8-0.1112.5E368 I374E368-R376 IonicContact OE1-CZ 2.63Å; E368-R376 VanDerWaalsContact OE1-CZ 3.31Å; E368-R376 IonicContact OE1-NE 2.71Å; E368-R376 PolarHBondContact OE1-NE 3.48Å; E368-R376 IonicContact OE1-NH2 2.67Å; E368-R376 PolarHBondContact OE1-NH2 2.94Å; E368-R376 IonicContact OE2-NH2 2.72Å; E368-R376 PolarHBondContact OE2-NH2 3.31Å; I374-R376 PolarHBondContact O-N 3.24Å
377E54.1Low67.8Low165 Ų16597.8 Ų97.877%0.77148%0.475SS*.THydrogen-bonded Turntrans-84.1-26166.6-53.4-142.6145.800111.9D375 L379D375-E377 PolarHBondContact O-N 3.49Å; D375-E377 PolarHBondContact OD1-N 3Å; E377-L379 PolarHBondContact O-N 3.23Å
378L40Very low67.8Low111 Ų11199 Ų9958%0.58148%0.479SS*.  trans-8963.4174.9-66.5176.9000112.4D375 V380D375-L378 HydrophobicContact CB-CB 4.18Å; D375-L378 HydrophobicContact CB-CD1 4.16Å; D375-L378 HydrophobicContact CB-CG 4.22Å; D375-L378 CarbonylContact O-C 3.59Å; D375-L378 PolarHBondContact O-N 3.14Å; L378-V380 HydrophobicContact CB-CG2 4.49Å; L378-V380 PolarHBondContact O-N 3.34Å
379L43.8Very low67.4Low117 Ų117103.1 Ų103.161%0.61349%0.492SS*.THydrogen-bonded Turntrans-69.767.5168.7-65.1171.1000111.4Y364 E377Y364-L379 HydrophobicContact CE1-CD2 4.36Å; Y364-L379 VanDerWaalsContact OH-CD2 3.25Å; Y364-L379 WeakPolarHBondContact OH-CD2 3.3Å; E377-L379 PolarHBondContact O-N 3.23Å
380V53.4Low67Low113 Ų11398.1 Ų98.169%0.68548%0.478SS*.THydrogen-bonded Turntrans-123-25.7-171.4-176.60000113L378 P382L378-V380 HydrophobicContact CB-CG2 4.49Å; L378-V380 PolarHBondContact O-N 3.34Å; V380-P382 VanDerWaalsContact O-CD 3.27Å; V380-P382 WeakPolarHBondContact O-CD 3.26Å
381I53.1Low66.6Low119 Ų11994.8 Ų94.861%0.6147%0.468SS*.  trans-95.2107176-54.5178.3000108.8
382P66.3Low66.4Low74 Ų7490.4 Ų90.448%0.48146%0.456SS..PPolyproline II helixtrans-68.1151.4166.630.7-34.2000109.9V380 T384 V411V380-P382 VanDerWaalsContact O-CD 3.27Å; V380-P382 WeakPolarHBondContact O-CD 3.26Å; P382-T384 PolarHBondContact O-N 3.06Å; P382-V411 HydrophobicContact CB-CG2 4.34Å
383P71Confident66Low36 Ų3693.1 Ų93.123%0.23447%0.47CS..PPolyproline II helixtrans-59.6139.2172.927.3-34.5000110.1D387 I388P383-D387 HydrophobicContact CB-CB 4.1Å; P383-I388 HydrophobicContact CB-CG1 4.39Å; P383-I388 HydrophobicContact CG-CD1 4.48Å; P383-I388 HydrophobicContact CG-CG1 4.45Å
384T76.6Confident65.7Low46 Ų4687.5 Ų87.528%0.28246%0.456SS..PPolyproline II helixtrans-71.5162.3178.9600000111.5P382 E386 D387 I388P382-T384 PolarHBondContact O-N 3.06Å; T384-E386 PolarHBondContact O-N 3.21Å; T384-D387 WeakPolarHBondContact CB-OD2 3.11Å; T384-D387 PolarHBondContact N-OD2 3.08Å; T384-D387 PolarHBondContact O-N 2.89Å; T384-D387 VanDerWaalsContact O-N 3.08Å; T384-D387 PolarHBondContact OG1-N 3.39Å; T384-D387 PolarHBondContact OG1-OD2 3.01Å; T384-I388 WeakPolarHBondContact O-CG1 3.2Å; T384-I388 PolarHBondContact O-N 3.17Å
385D72.9Confident65.7Low87 Ų8790.9 Ų90.947%0.46547%0.467SS..Hα-helixtrans-63.1-23171.8-75.8-28000111.5R389D385-R389 VanDerWaalsContact O-CB 3.24Å; D385-R389 WeakPolarHBondContact O-CB 3.46Å; D385-R389 VanDerWaalsContact O-CG 3.24Å; D385-R389 WeakPolarHBondContact O-CG 3.42Å; D385-R389 PolarHBondContact O-N 3.25Å; D385-R389 PolarHBondContact O-NE 2.84Å
386E73.8Confident65.9Low105 Ų10590 Ų9049%0.49148%0.479SS..Hα-helixtrans-66.8-49.6167.6-72.263.3-147.800111.9T384 I388 R389 E390T384-E386 PolarHBondContact O-N 3.21Å; E386-I388 VanDerWaalsContact C-N 3.29Å; E386-I388 PolarHBondContact O-N 2.98Å; E386-R389 PolarHBondContact O-N 3.47Å; E386-R389 IonicContact OE1-CZ 2.73Å; E386-R389 IonicContact OE1-NH2 3.3Å; E386-R389 PolarHBondContact OE1-NH2 2.91Å; E386-R389 IonicContact OE2-NH2 3.47Å; E386-E390 WeakPolarHBondContact O-CB 3.35Å; E386-E390 PolarHBondContact O-N 3.43Å
387D72.2Confident65.9Low16 Ų1685.2 Ų85.29%0.08647%0.466CS..Hα-helixtrans-62.1-39177.7-58-53.3000111.2R370 P383 T384 L391R370-D387 IonicContact CZ-OD1 3.23Å; R370-D387 IonicContact NE-OD1 3.04Å; R370-D387 IonicContact NH1-OD1 3.75Å; R370-D387 PolarHBondContact NH1-OD1 3.17Å; P383-D387 HydrophobicContact CB-CB 4.1Å; T384-D387 WeakPolarHBondContact CB-OD2 3.11Å; T384-D387 PolarHBondContact N-OD2 3.08Å; T384-D387 PolarHBondContact O-N 2.89Å; T384-D387 VanDerWaalsContact O-N 3.08Å; T384-D387 PolarHBondContact OG1-N 3.39Å; T384-D387 PolarHBondContact OG1-OD2 3.01Å; D387-L391 WeakPolarHBondContact O-CB 3.44Å; D387-L391 PolarHBondContact O-N 3.12Å
388I74Confident65.9Low41 Ų4180.9 Ų80.921%0.2146%0.458CS..Hα-helixtrans-68.3-42.1176.5-64.6169.9000110.6P383 T384 E386 L391 V392 F408P383-I388 HydrophobicContact CB-CG1 4.39Å; P383-I388 HydrophobicContact CG-CD1 4.48Å; P383-I388 HydrophobicContact CG-CG1 4.45Å; T384-I388 WeakPolarHBondContact O-CG1 3.2Å; T384-I388 PolarHBondContact O-N 3.17Å; E386-I388 VanDerWaalsContact C-N 3.29Å; E386-I388 PolarHBondContact O-N 2.98Å; I388-L391 PolarHBondContact O-N 3.27Å; I388-V392 HydrophobicContact CG2-CG2 4.41Å; I388-V392 WeakPolarHBondContact O-CB 3.35Å; I388-V392 VanDerWaalsContact O-CG2 3.26Å; I388-V392 WeakPolarHBondContact O-CG2 3.41Å; I388-V392 PolarHBondContact O-N 3.22Å; I388-F408 HydrophobicContact CD1-CD2 4.34Å; I388-F408 HydrophobicContact CD1-CE2 4.42Å
389R74.4Confident66.4Low138 Ų13881.5 Ų81.552%0.52147%0.469SS..Hα-helixtrans-66.6-40.2176.2-83.2178-74168.2-4.8112.7D385 E386 V392 S393D385-R389 VanDerWaalsContact O-CB 3.24Å; D385-R389 WeakPolarHBondContact O-CB 3.46Å; D385-R389 VanDerWaalsContact O-CG 3.24Å; D385-R389 WeakPolarHBondContact O-CG 3.42Å; D385-R389 PolarHBondContact O-N 3.25Å; D385-R389 PolarHBondContact O-NE 2.84Å; E386-R389 PolarHBondContact O-N 3.47Å; E386-R389 IonicContact OE1-CZ 2.73Å; E386-R389 IonicContact OE1-NH2 3.3Å; E386-R389 PolarHBondContact OE1-NH2 2.91Å; E386-R389 IonicContact OE2-NH2 3.47Å; R389-V392 PolarHBondContact O-N 3.09Å; R389-S393 VanDerWaalsContact O-CB 3.31Å; R389-S393 WeakPolarHBondContact O-CB 3.28Å; R389-S393 PolarHBondContact O-N 3.22Å; R389-S393 PolarHBondContact O-OG 3.06Å
390E74.5Confident66.5Low99 Ų9978.5 Ų78.546%0.46346%0.461SS..Hα-helixtrans-60.9-47.9174.2-178.3177.4-159.100110.4R370 E386 S393 S394R370-E390 IonicContact CZ-OE2 3.71Å; R370-E390 VanDerWaalsContact CZ-OE2 3.3Å; R370-E390 IonicContact NE-OE2 3.31Å; R370-E390 IonicContact NH2-OE2 3.4Å; R370-E390 PolarHBondContact NH2-OE2 3.23Å; E386-E390 WeakPolarHBondContact O-CB 3.35Å; E386-E390 PolarHBondContact O-N 3.43Å; E390-S393 PolarHBondContact O-N 3.01Å; E390-S394 WeakPolarHBondContact O-CB 3.35Å; E390-S394 PolarHBondContact O-N 3.2Å; E390-S394 PolarHBondContact O-OG 3.41Å
391L72.2Confident66Low45 Ų4577.6 Ų77.624%0.23646%0.46CS..Hα-helixtrans-58.3-51.6176.9-171.479.3000111.6P359 R362 D387 I388 S393 S394 Y395P359-L391 HydrophobicContact CB-CD2 4.26Å; R362-L391 HydrophobicContact CB-CD1 4.22Å; D387-L391 WeakPolarHBondContact O-CB 3.44Å; D387-L391 PolarHBondContact O-N 3.12Å; I388-L391 PolarHBondContact O-N 3.27Å; L391-S393 VanDerWaalsContact C-N 3.33Å; L391-S393 PolarHBondContact O-N 3.06Å; L391-S394 PolarHBondContact O-N 3.24Å; L391-S394 PolarHBondContact O-OG 3.06Å; L391-Y395 HydrophobicContact CD1-CE2 4.17Å; L391-Y395 WeakPolarHBondContact O-CD2 3.4Å; L391-Y395 PolarHBondContact O-N 3.06Å
392V72.6Confident65.6Low49 Ų4978.1 Ų78.130%0.29747%0.474SS..Hα-helixtrans-58.2-44.2179.1165.50000111.6I388 R389 Y395 I397I388-V392 HydrophobicContact CG2-CG2 4.41Å; I388-V392 WeakPolarHBondContact O-CB 3.35Å; I388-V392 VanDerWaalsContact O-CG2 3.26Å; I388-V392 WeakPolarHBondContact O-CG2 3.41Å; I388-V392 PolarHBondContact O-N 3.22Å; R389-V392 PolarHBondContact O-N 3.09Å; V392-Y395 PolarHBondContact O-N 2.99Å; V392-I397 HydrophobicContact CG1-CB 4.15Å; V392-I397 HydrophobicContact CG1-CG2 4.35Å; V392-I397 WeakPolarHBondContact CG1-O 3.36Å; V392-I397 PolarHBondContact O-N 2.87Å
393S75.5Confident64.4Low91 Ų9185.5 Ų85.564%0.63649%0.492SS*.Hα-helixtrans-65.9-41.6178.2-53.90000112R389 E390 L391 Y395 G396R389-S393 VanDerWaalsContact O-CB 3.31Å; R389-S393 WeakPolarHBondContact O-CB 3.28Å; R389-S393 PolarHBondContact O-N 3.22Å; R389-S393 PolarHBondContact O-OG 3.06Å; E390-S393 PolarHBondContact O-N 3.01Å; L391-S393 VanDerWaalsContact C-N 3.33Å; L391-S393 PolarHBondContact O-N 3.06Å; S393-Y395 PolarHBondContact O-N 3.12Å; S393-Y395 VanDerWaalsContact O-N 3.12Å; S393-G396 PolarHBondContact O-N 3.26Å
394S75Confident62.9Low86 Ų8692.6 Ų92.660%0.60152%0.515SS*.Hα-helixtrans-64-16.3179.874.30000114.6E390 L391E390-S394 WeakPolarHBondContact O-CB 3.35Å; E390-S394 PolarHBondContact O-N 3.2Å; E390-S394 PolarHBondContact O-OG 3.41Å; L391-S394 PolarHBondContact O-N 3.24Å; L391-S394 PolarHBondContact O-OG 3.06Å
395Y66.5Low61.2Low104 Ų10499.7 Ų99.741%0.40854%0.541SS..THydrogen-bonded Turntrans-101.65.1175.6-86-96.4000113.2R362 L391 V392 S393 I397R362-Y395 WeakPolarHBondContact CD-OH 3.3Å; R362-Y395 PolarHBondContact NE-OH 3.38Å; R362-Y395 PolarHBondContact NH1-OH 3.39Å; L391-Y395 HydrophobicContact CD1-CE2 4.17Å; L391-Y395 WeakPolarHBondContact O-CD2 3.4Å; L391-Y395 PolarHBondContact O-N 3.06Å; V392-Y395 PolarHBondContact O-N 2.99Å; S393-Y395 PolarHBondContact O-N 3.12Å; S393-Y395 VanDerWaalsContact O-N 3.12Å; Y395-I397 PolarHBondContact O-N 2.74Å
396G65.8Low59.5Low69 Ų69100.9 Ų100.971%0.71156%0.555SS**THydrogen-bonded Turntrans66.812.8-176.900000114.3S393 A398S393-G396 PolarHBondContact O-N 3.26Å; G396-A398 PolarHBondContact O-N 3.42Å
397I56.3Low58Low78 Ų78102.5 Ų102.540%0.457%0.567SS.*  trans-78.897.6-177.9-59.4172.6000107.9V392 Y395V392-I397 HydrophobicContact CG1-CB 4.15Å; V392-I397 HydrophobicContact CG1-CG2 4.35Å; V392-I397 WeakPolarHBondContact CG1-O 3.36Å; V392-I397 PolarHBondContact O-N 2.87Å; Y395-I397 PolarHBondContact O-N 2.74Å
398A54Low56.4Low74 Ų74106.5 Ų106.561%0.61258%0.583SS**  trans-53.3137.9172.600000110.6G396 A400G396-A398 PolarHBondContact O-N 3.42Å; A398-A400 VanDerWaalsContact C-N 3.28Å; A398-A400 PolarHBondContact O-N 2.93Å
399P49.9Very low54.8Low125 Ų125109.6 Ų109.681%0.81261%0.606SS**  trans-71.681.3-176.828.6-35000111.4S401P399-S401 PolarHBondContact O-N 3.28Å
400A45.6Very low53.2Low54 Ų54113 Ų11345%0.44662%0.62SS.*  trans-66.998.1-174.400000112.9A398A398-A400 VanDerWaalsContact C-N 3.28Å; A398-A400 PolarHBondContact O-N 2.93Å
401S44Very low51.7Low94 Ų94110.6 Ų110.666%0.65761%0.612SS**THydrogen-bonded Turntrans34.887146.747.60000117.2P399 R403P399-S401 PolarHBondContact O-N 3.28Å; S401-R403 PolarHBondContact O-N 3.22Å
402S44.8Very low50.3Low130 Ų130113.1 Ų113.191%0.90963%0.633SS**THydrogen-bonded Turntrans56.1-7.9148.967.70000121.1
403R40.5Very low48.8Very low228 Ų228118.9 Ų118.986%0.8665%0.654SS**  trans-107.7-9.9-170.8-75.5-170.4168.1-160.9-2.5116.7S401 K405S401-R403 PolarHBondContact O-N 3.22Å; R403-K405 PolarHBondContact O-N 2.97Å
404R39.9Very low47.2Very low186 Ų186116.9 Ų116.970%0.70265%0.647SS**  trans-81.575.8-177-68.5-171.1175.8-172-0.9113.5C406R404-C406 PolarHBondContact O-N 3.41Å
405K41Very low46Very low195 Ų195117.3 Ų117.385%0.84865%0.648SS**  trans-73.9-6.7167.8-75.7-178.2177.7173.60114.2R403R403-K405 PolarHBondContact O-N 2.97Å
406C36.7Very low45.4Very low111 Ų111120.2 Ų120.275%0.7567%0.665SS**  trans-119.894.1-165.9-54.50000111.2R404R404-C406 PolarHBondContact O-N 3.41Å
407L41.8Very low44.8Very low140 Ų140119.3 Ų119.373%0.73365%0.651SS**SBendtrans-165.6-33.6159-110.6166.1000111.7
408F39.6Very low44.2Very low99 Ų99122 Ų12243%0.43467%0.665SS.*  trans-133.495.6170.7-71.4-81.7000111.4I388 Y410 V411I388-F408 HydrophobicContact CD1-CD2 4.34Å; I388-F408 HydrophobicContact CD1-CE2 4.42Å; F408-Y410 PolarHBondContact O-N 2.96Å; F408-V411 HydrophobicContact CB-CG2 4.02Å; F408-V411 HydrophobicContact CG-CG2 4.45Å
409P40.2Very low43.7Very low106 Ų106128.7 Ų128.769%0.68868%0.676SS**THydrogen-bonded Turntrans-66.4-4.7-178.8-22.734.1000115.9
410Y40.1Very low43.9Very low209 Ų209127.7 Ų127.782%0.8267%0.67SS**THydrogen-bonded Turntrans-120.4-6.2-162.5-67.1-78.7000115.5F408F408-Y410 PolarHBondContact O-N 2.96Å
411V44.4Very low43.9Very low49 Ų49130 Ų13030%0.29768%0.68SS.*THydrogen-bonded Turntrans-96.3-43.7-170.1-179.30000112.6P382 F408P382-V411 HydrophobicContact CB-CG2 4.34Å; F408-V411 HydrophobicContact CB-CG2 4.02Å; F408-V411 HydrophobicContact CG-CG2 4.45Å
412C42.7Very low44Very low99 Ų99131.2 Ų131.267%0.66969%0.686SS**SBendtrans-96.43.4-160.3-46.60000117
413K39.9Very low44.1Very low170 Ų170131.1 Ų131.174%0.73968%0.68SS**SBendtrans-144.54.7-174.1-75.7-156.1167.9-148.80117.6A417K413-A417 HydrophobicContact CB-CB 3.74Å
414G41.6Very low44.4Very low48 Ų48124.7 Ų124.750%0.49567%0.668SS.*G310 helixtrans60.9-166.517900000114.6E416G414-E416 PolarHBondContact O-N 3.01Å
415P49.9Very low44.5Very low95 Ų95121.5 Ų121.562%0.61767%0.672SS**G310 helixtrans-72.8-10.6-176.130.1-35.6000114.3A417P415-A417 VanDerWaalsContact C-N 3.31Å
416E55.2Low44.8Very low165 Ų165116.6 Ų116.677%0.77166%0.655SS**G310 helixtrans-83.6-6.6-177-60.6-176.1177.400113G414 L418G414-E416 PolarHBondContact O-N 3.01Å; E416-L418 PolarHBondContact O-N 2.82Å
417A53.4Low45.4Very low50 Ų50118.3 Ų118.341%0.41365%0.651SS.*G310 helixtrans-67.92174.400000115K413 P415K413-A417 HydrophobicContact CB-CB 3.74Å; P415-A417 VanDerWaalsContact C-N 3.31Å
418L43.9Very low46.1Very low134 Ų134116.7 Ų116.770%0.70265%0.652SS**  trans-109.133.9-164.6-68.9172.8000114.6E416E416-L418 PolarHBondContact O-N 2.82Å
419Y43.4Very low47Very low215 Ų215120.7 Ų120.784%0.84367%0.672SS**SBendtrans-127138.8161.5-83.5-79.3000109.9
420P53.2Low47.9Very low105 Ų105122.3 Ų122.368%0.68268%0.675SS**PPolyproline II helix-72.6148.8-103.921.1-34.4000112
421P45.8Very low49.2Very low101 Ų101115.2 Ų115.266%0.65665%0.651SS**PPolyproline II helixtrans-55.4140.3163.927.7-34000108.3V423P421-V423 PolarHBondContact O-N 3.14Å
422P46.1Very low50.5Low121 Ų121116.4 Ų116.479%0.78666%0.659SS**PPolyproline II helixtrans-57.2120.6170.625.7-33000106.9P424P422-P424 WeakPolarHBondContact O-CD 3.46Å
423V47.7Very low51.9Low128 Ų128119.4 Ų119.478%0.77667%0.669SS**  trans-60113.2-179.5177.90000106.9P421 C425P421-V423 PolarHBondContact O-N 3.14Å; V423-C425 PolarHBondContact O-N 2.89Å; V423-C425 VanDerWaalsContact O-N 3.13Å
424P46.3Very low53.4Low93 Ų93115 Ų11560%0.60465%0.653SS**  trans-69.6115.7170.531.5-30.7000105.3P422 I426P422-P424 WeakPolarHBondContact O-CD 3.46Å; P424-I426 HydrophobicContact CB-CD1 4.36Å; P424-I426 HydrophobicContact CB-CG1 4Å; P424-I426 HydrophobicContact CG-CD1 4.25Å; P424-I426 HydrophobicContact CG-CG1 4.29Å; P424-I426 PolarHBondContact O-N 3.47Å
425C41.6Very low55.1Low118 Ų118118.2 Ų118.280%0.79765%0.651SS**  trans-74.177.7171.5-159.40000107.2V423V423-C425 PolarHBondContact O-N 2.89Å; V423-C425 VanDerWaalsContact O-N 3.13Å
426I47.3Very low55.6Low93 Ų93115.5 Ų115.548%0.47763%0.631SS.*  trans-81.8108.6167.3-53.1176.4000104.3P424 L431P424-I426 HydrophobicContact CB-CD1 4.36Å; P424-I426 HydrophobicContact CB-CG1 4Å; P424-I426 HydrophobicContact CG-CD1 4.25Å; P424-I426 HydrophobicContact CG-CG1 4.29Å; P424-I426 PolarHBondContact O-N 3.47Å; I426-L431 HydrophobicContact CG2-CD1 3.97Å; I426-L431 HydrophobicContact CG2-CD2 4.06Å; I426-L431 HydrophobicContact CG2-CG 3.74Å
427E49.8Very low56.1Low146 Ų146111.8 Ų111.868%0.68261%0.613SS**  trans-62.9136.8173.3-60.8-169.9158.800107.9E429 D430E427-E429 PolarHBondContact O-N 3.4Å; E427-D430 PolarHBondContact O-N 3.22Å
428S56.6Low56.7Low106 Ų106115.2 Ų115.274%0.74162%0.623SS**THydrogen-bonded Turntrans-67.5-4.1-163.546.30000115
429E57.3Low57.7Low184 Ų184112.1 Ų112.186%0.8662%0.617SS**THydrogen-bonded Turntrans-90.5-19.2-177.2-53.8-170.9175.300112.5E427E427-E429 PolarHBondContact O-N 3.4Å
430D59.5Low58.9Low139 Ų139106.1 Ų106.174%0.74360%0.603SS**SBendtrans-87.1-2.6179.3-85.5-23.1000114.3E427E427-D430 PolarHBondContact O-N 3.22Å
431L67Low59.8Low61 Ų61103.8 Ų103.832%0.31960%0.598SS.*SBendtrans-97.7121.4-178.5-73170.6000111I426 W435I426-L431 HydrophobicContact CG2-CD1 3.97Å; I426-L431 HydrophobicContact CG2-CD2 4.06Å; I426-L431 HydrophobicContact CG2-CG 3.74Å; L431-W435 HydrophobicContact CB-CB 4.31Å; L431-W435 HydrophobicContact CB-CG 3.97Å; L431-W435 HydrophobicContact CD1-CD2 4.22Å; L431-W435 HydrophobicContact CD1-CG 4.37Å; L431-W435 HydrophobicContact CD2-CB 4.15Å; L431-W435 HydrophobicContact CD2-CD2 4.46Å; L431-W435 HydrophobicContact CD2-CG 4.17Å; L431-W435 HydrophobicContact CG-CG 4.41Å
432P72.5Confident61.1Low73 Ų7399 Ų9947%0.47457%0.568SS.*  trans-65150.5177.929.2-36.2000111.2D434 W435P432-D434 PolarHBondContact O-N 2.8Å; P432-W435 HydrophobicContact CG-CB 4.31Å; P432-W435 VanDerWaalsContact O-CB 3.29Å; P432-W435 WeakPolarHBondContact O-CB 3.29Å; P432-W435 PolarHBondContact O-N 3.04Å
433D72.8Confident62.7Low162 Ų16297.2 Ų97.287%0.86655%0.554SS**THydrogen-bonded Turntrans-53.1-24.3-174-77.3-52.2000115
434D70.5Confident64Low77 Ų7794.8 Ų94.841%0.41255%0.548SS..THydrogen-bonded Turntrans-97.75.9178.663.9-40.2000114.4P432 L436 E437 I438P432-D434 PolarHBondContact O-N 2.8Å; D434-L436 PolarHBondContact O-N 3.03Å; D434-L436 VanDerWaalsContact O-N 3.09Å; D434-E437 HydrophobicContact CB-CB 4.41Å; D434-E437 CarbonylContact O-C 3.33Å; D434-E437 WeakPolarHBondContact O-CA 3.38Å; D434-E437 WeakPolarHBondContact O-CB 3.22Å; D434-E437 PolarHBondContact O-N 3.23Å; D434-I438 WeakPolarHBondContact O-CG1 3.29Å; D434-I438 PolarHBondContact O-N 2.72Å; D434-I438 WeakPolarHBondContact OD2-CD1 3.45Å
435W77.4Confident65.2Low117 Ų11796.5 Ų96.544%0.44355%0.55SS.*Hα-helixtrans-51.2-39.8178.878.7-97000113.1L431 P432 E437 A439L431-W435 HydrophobicContact CB-CB 4.31Å; L431-W435 HydrophobicContact CB-CG 3.97Å; L431-W435 HydrophobicContact CD1-CD2 4.22Å; L431-W435 HydrophobicContact CD1-CG 4.37Å; L431-W435 HydrophobicContact CD2-CB 4.15Å; L431-W435 HydrophobicContact CD2-CD2 4.46Å; L431-W435 HydrophobicContact CD2-CG 4.17Å; L431-W435 HydrophobicContact CG-CG 4.41Å; P432-W435 HydrophobicContact CG-CB 4.31Å; P432-W435 VanDerWaalsContact O-CB 3.29Å; P432-W435 WeakPolarHBondContact O-CB 3.29Å; P432-W435 PolarHBondContact O-N 3.04Å; W435-E437 VanDerWaalsContact C-N 3.35Å; W435-A439 HydrophobicContact CE3-CB 4.39Å; W435-A439 WeakPolarHBondContact O-CB 3.45Å; W435-A439 PolarHBondContact O-N 2.94Å
436L60.1Low66.6Low37 Ų3792.4 Ų92.419%0.19452%0.523CS..Hα-helixtrans-71.9-30.9178.7-169.570.1000111.9D434 T440 A442 F450D434-L436 PolarHBondContact O-N 3.03Å; D434-L436 VanDerWaalsContact O-N 3.09Å; L436-T440 HydrophobicContact CD1-CG2 4.22Å; L436-T440 PolarHBondContact O-N 3.43Å; L436-T440 PolarHBondContact O-OG1 2.82Å; L436-A442 HydrophobicContact CD2-CB 4.46Å; L436-A442 HydrophobicContact CG-CB 4.1Å; L436-A442 WeakPolarHBondContact O-CB 3.35Å; L436-F450 HydrophobicContact CD2-CD2 3.99Å; L436-F450 HydrophobicContact CD2-CE2 4.47Å
437E66.5Low67.8Low88 Ų8890 Ų9041%0.41151%0.509SS..Hα-helixtrans-73.7-43.9175.5-167154.4-178.100110.9D434 W435 G441 A442 K447D434-E437 HydrophobicContact CB-CB 4.41Å; D434-E437 CarbonylContact O-C 3.33Å; D434-E437 WeakPolarHBondContact O-CA 3.38Å; D434-E437 WeakPolarHBondContact O-CB 3.22Å; D434-E437 PolarHBondContact O-N 3.23Å; W435-E437 VanDerWaalsContact C-N 3.35Å; E437-G441 WeakPolarHBondContact O-CA 3.36Å; E437-G441 PolarHBondContact O-N 2.94Å; E437-A442 WeakPolarHBondContact CG-O 3.19Å; E437-K447 WeakPolarHBondContact OE2-CE 3.16Å; E437-K447 IonicContact OE2-NZ 3.1Å; E437-K447 PolarHBondContact OE2-NZ 3.12Å
438I65.5Low69.1Low121 Ų12188.1 Ų88.162%0.62150%0.5SS*.Hα-helixtrans-59-48.7171-63.4165.4000110.8D434D434-I438 WeakPolarHBondContact O-CG1 3.29Å; D434-I438 PolarHBondContact O-N 2.72Å; D434-I438 WeakPolarHBondContact OD2-CD1 3.45Å
439A65.5Low69.9Low70 Ų7089 Ų8958%0.57949%0.494SS*.Hα-helixtrans-75.5-30.2-172.200000114.3W435W435-A439 HydrophobicContact CE3-CB 4.39Å; W435-A439 WeakPolarHBondContact O-CB 3.45Å; W435-A439 PolarHBondContact O-N 2.94Å
440T68.6Low70.8Confident88 Ų8885.9 Ų85.954%0.5448%0.478SS..Hα-helixtrans-1301.4-174.388.30000115.4L436 A442L436-T440 HydrophobicContact CD1-CG2 4.22Å; L436-T440 PolarHBondContact O-N 3.43Å; L436-T440 PolarHBondContact O-OG1 2.82Å; T440-A442 VanDerWaalsContact C-N 3.26Å; T440-A442 PolarHBondContact O-N 2.92Å; T440-A442 WeakPolarHBondContact OG1-CB 3.46Å
441G72.2Confident71.9Confident57 Ų5787 Ų8759%0.58847%0.472SS*.  trans63.533.3-169.400000112.6E437 T443E437-G441 WeakPolarHBondContact O-CA 3.36Å; E437-G441 PolarHBondContact O-N 2.94Å; G441-T443 PolarHBondContact O-N 3.39Å
442A73.3Confident72.6Confident1 Ų188.3 Ų88.31%0.00848%0.479CS..  trans-68.698.3-173.600000112.8L436 E437 T440 S446 K447L436-A442 HydrophobicContact CD2-CB 4.46Å; L436-A442 HydrophobicContact CG-CB 4.1Å; L436-A442 WeakPolarHBondContact O-CB 3.35Å; E437-A442 WeakPolarHBondContact CG-O 3.19Å; T440-A442 VanDerWaalsContact C-N 3.26Å; T440-A442 PolarHBondContact O-N 2.92Å; T440-A442 WeakPolarHBondContact OG1-CB 3.46Å; A442-S446 VanDerWaalsContact C-OG 3.23Å; A442-S446 WeakPolarHBondContact CA-OG 3.41Å; A442-S446 WeakPolarHBondContact CB-OG 3.47Å; A442-K447 HydrophobicContact CB-CG 4.35Å
443T77.9Confident72.9Confident82 Ų8287.3 Ų87.350%0.50348%0.476SS..  trans-58.6157.9169.267.60000111.6G441 I445 S446 K447G441-T443 PolarHBondContact O-N 3.39Å; T443-I445 PolarHBondContact O-N 2.87Å; T443-S446 PolarHBondContact N-OG 3.36Å; T443-S446 VanDerWaalsContact N-OG 3.12Å; T443-S446 WeakPolarHBondContact O-CA 3.34Å; T443-S446 PolarHBondContact O-N 2.67Å; T443-S446 PolarHBondContact O-OG 3.01Å; T443-K447 PolarHBondContact O-N 3.47Å
444A75.1Confident73.4Confident77 Ų7783.9 Ų83.964%0.63646%0.455SS*.Hα-helixtrans-49.5-36.5177.800000114.2S446 K447 H448A444-S446 PolarHBondContact O-N 2.83Å; A444-K447 PolarHBondContact O-N 2.94Å; A444-H448 WeakPolarHBondContact O-CB 3.46Å; A444-H448 PolarHBondContact O-N 2.94Å
445I72.1Confident74.1Confident129 Ų12984.1 Ų84.166%0.66246%0.457SS*.Hα-helixtrans-60.8-43.4174.7-60.5172.7000111.1T443 H448 M449T443-I445 PolarHBondContact O-N 2.87Å; I445-H448 PolarHBondContact O-N 3.09Å; I445-M449 PolarHBondContact O-N 3.48Å
446S70.4Confident74.3Confident33 Ų3383.4 Ų83.423%0.23147%0.465CS..Hα-helixtrans-72-38.5177.567.10000112.6A442 T443 A444 H448 M449 F450A442-S446 VanDerWaalsContact C-OG 3.23Å; A442-S446 WeakPolarHBondContact CA-OG 3.41Å; A442-S446 WeakPolarHBondContact CB-OG 3.47Å; T443-S446 PolarHBondContact N-OG 3.36Å; T443-S446 VanDerWaalsContact N-OG 3.12Å; T443-S446 WeakPolarHBondContact O-CA 3.34Å; T443-S446 PolarHBondContact O-N 2.67Å; T443-S446 PolarHBondContact O-OG 3.01Å; A444-S446 PolarHBondContact O-N 2.83Å; S446-H448 VanDerWaalsContact C-N 3.3Å; S446-H448 PolarHBondContact O-N 2.91Å; S446-M449 PolarHBondContact O-N 3.43Å; S446-F450 WeakPolarHBondContact O-CD2 3.48Å; S446-F450 PolarHBondContact O-N 2.71Å
447K72.3Confident75.3Confident41 Ų4186.6 Ų86.618%0.17848%0.482CS..Hα-helixtrans-55.1-45.6169.4-77.6178.2164.2173.80111E437 A442 T443 A444 F450 R451E437-K447 WeakPolarHBondContact OE2-CE 3.16Å; E437-K447 IonicContact OE2-NZ 3.1Å; E437-K447 PolarHBondContact OE2-NZ 3.12Å; A442-K447 HydrophobicContact CB-CG 4.35Å; T443-K447 PolarHBondContact O-N 3.47Å; A444-K447 PolarHBondContact O-N 2.94Å; K447-F450 PolarHBondContact O-N 3.12Å; K447-R451 WeakPolarHBondContact O-CG 3.49Å; K447-R451 PolarHBondContact O-N 3.06Å; K447-R451 VanDerWaalsContact O-N 3.17Å
448H77.1Confident76Confident107 Ų10789.8 Ų89.850%0.49549%0.49SS..Hα-helixtrans-64.1-45.3175.6-178.884000112.6A444 I445 S446 F450 R451 L452A444-H448 WeakPolarHBondContact O-CB 3.46Å; A444-H448 PolarHBondContact O-N 2.94Å; I445-H448 PolarHBondContact O-N 3.09Å; S446-H448 VanDerWaalsContact C-N 3.3Å; S446-H448 PolarHBondContact O-N 2.91Å; H448-F450 VanDerWaalsContact C-N 3.32Å; H448-F450 PolarHBondContact O-N 2.85Å; H448-R451 PolarHBondContact O-N 3.13Å; H448-L452 WeakPolarHBondContact NE2-CD1 3.43Å; H448-L452 PolarHBondContact O-N 3.12Å
449M74.9Confident76.9Confident126 Ų12692.6 Ų92.662%0.62150%0.498SS*.Hα-helixtrans-61.6-36.1176.1-78.1-161.47200113.5I445 S446 L452 A453I445-M449 PolarHBondContact O-N 3.48Å; S446-M449 PolarHBondContact O-N 3.43Å; M449-L452 PolarHBondContact O-N 3.25Å; M449-A453 WeakPolarHBondContact O-CB 3.47Å; M449-A453 PolarHBondContact O-N 3.17Å
450F75.9Confident77.4Confident118 Ų11893.2 Ų93.252%0.51850%0.498SS..Hα-helixtrans-65.3-45.8174.1-82.3-64.9000111.6L436 S446 K447 H448 L452 A453 E454L436-F450 HydrophobicContact CD2-CD2 3.99Å; L436-F450 HydrophobicContact CD2-CE2 4.47Å; S446-F450 WeakPolarHBondContact O-CD2 3.48Å; S446-F450 PolarHBondContact O-N 2.71Å; K447-F450 PolarHBondContact O-N 3.12Å; H448-F450 VanDerWaalsContact C-N 3.32Å; H448-F450 PolarHBondContact O-N 2.85Å; F450-L452 VanDerWaalsContact C-N 3.32Å; F450-L452 PolarHBondContact O-N 2.82Å; F450-A453 PolarHBondContact O-N 3.06Å; F450-E454 WeakPolarHBondContact O-CB 3.42Å; F450-E454 PolarHBondContact O-N 3Å
451R81.6Confident77.9Confident161 Ų16196.9 Ų96.961%0.60851%0.509SS*.Hα-helixtrans-58.9-40.8174.4-65.7177.6-164.7169.22.4112.5K447 H448 E454 N455K447-R451 WeakPolarHBondContact O-CG 3.49Å; K447-R451 PolarHBondContact O-N 3.06Å; K447-R451 VanDerWaalsContact O-N 3.17Å; H448-R451 PolarHBondContact O-N 3.13Å; R451-E454 PolarHBondContact O-N 3.36Å; R451-N455 WeakPolarHBondContact O-CB 3.5Å; R451-N455 VanDerWaalsContact O-CG 3.3Å; R451-N455 PolarHBondContact O-N 2.92Å; R451-N455 PolarHBondContact O-ND2 3.3Å
452L82.2Confident78Confident90 Ų90100.1 Ų100.147%0.47154%0.542SS..Hα-helixtrans-62.9-46.3175.4-73.5179.6000111.9H448 M449 F450 E454 N455 V456H448-L452 WeakPolarHBondContact NE2-CD1 3.43Å; H448-L452 PolarHBondContact O-N 3.12Å; M449-L452 PolarHBondContact O-N 3.25Å; F450-L452 VanDerWaalsContact C-N 3.32Å; F450-L452 PolarHBondContact O-N 2.82Å; L452-E454 VanDerWaalsContact C-N 3.34Å; L452-E454 PolarHBondContact O-N 3.05Å; L452-N455 PolarHBondContact O-N 2.79Å; L452-V456 WeakPolarHBondContact O-CG2 3.43Å; L452-V456 PolarHBondContact O-N 3.08Å
453A79.1Confident78.3Confident51 Ų51105.1 Ų105.142%0.42157%0.568SS.*Hα-helixtrans-62.7-41.3177.400000111.8M449 F450 V456 L457M449-A453 WeakPolarHBondContact O-CB 3.47Å; M449-A453 PolarHBondContact O-N 3.17Å; F450-A453 PolarHBondContact O-N 3.06Å; A453-V456 PolarHBondContact O-N 3.46Å; A453-L457 WeakPolarHBondContact O-CG 3.47Å; A453-L457 PolarHBondContact O-N 2.73Å
454E83.6Confident78.3Confident91 Ų91106.3 Ų106.343%0.42557%0.572SS.*Hα-helixtrans-64-46176.3-164.3-167.8162.400111.9F450 R451 L452 V456 L457 R458F450-E454 WeakPolarHBondContact O-CB 3.42Å; F450-E454 PolarHBondContact O-N 3Å; R451-E454 PolarHBondContact O-N 3.36Å; L452-E454 VanDerWaalsContact C-N 3.34Å; L452-E454 PolarHBondContact O-N 3.05Å; E454-V456 VanDerWaalsContact C-N 3.31Å; E454-V456 PolarHBondContact O-N 3.45Å; E454-L457 PolarHBondContact O-N 2.87Å; E454-L457 VanDerWaalsContact O-N 3.11Å; E454-R458 WeakPolarHBondContact O-CG 3.36Å; E454-R458 PolarHBondContact O-N 2.78Å; E454-R458 IonicContact OE1-CZ 2.65Å; E454-R458 VanDerWaalsContact OE1-CZ 3.27Å; E454-R458 IonicContact OE1-NE 3.73Å; E454-R458 PolarHBondContact OE1-NE 2.72Å; E454-R458 VanDerWaalsContact OE1-NE 3.1Å; E454-R458 IonicContact OE1-NH2 3.65Å; E454-R458 PolarHBondContact OE1-NH2 3.2Å
455N84.7Confident78.5Confident82 Ų82107.9 Ų107.944%0.43957%0.568SS.*Hα-helixtrans-61.5-37.3176.5-78.3-18.1000112.6R451 L452 K459R451-N455 WeakPolarHBondContact O-CB 3.5Å; R451-N455 VanDerWaalsContact O-CG 3.3Å; R451-N455 PolarHBondContact O-N 2.92Å; R451-N455 PolarHBondContact O-ND2 3.3Å; L452-N455 PolarHBondContact O-N 2.79Å; N455-K459 WeakPolarHBondContact O-CB 3.33Å; N455-K459 WeakPolarHBondContact O-CG 3.22Å; N455-K459 PolarHBondContact O-N 3.39Å
456V82.5Confident78.8Confident102 Ų102106.6 Ų106.662%0.61856%0.563SS**Hα-helixtrans-66.7-40.2173.2170.10000111.3L452 A453 E454 K459 S460L452-V456 WeakPolarHBondContact O-CG2 3.43Å; L452-V456 PolarHBondContact O-N 3.08Å; A453-V456 PolarHBondContact O-N 3.46Å; E454-V456 VanDerWaalsContact C-N 3.31Å; E454-V456 PolarHBondContact O-N 3.45Å; V456-K459 PolarHBondContact O-N 2.92Å; V456-S460 PolarHBondContact O-N 3.44Å
457L80.6Confident79.4Confident104 Ų104111.3 Ų111.355%0.54558%0.584SS.*Hα-helixtrans-66.2-45.8176.4-72.7168000111.9A453 E454 K459 S460 Q461A453-L457 WeakPolarHBondContact O-CG 3.47Å; A453-L457 PolarHBondContact O-N 2.73Å; E454-L457 PolarHBondContact O-N 2.87Å; E454-L457 VanDerWaalsContact O-N 3.11Å; L457-K459 PolarHBondContact O-N 3.39Å; L457-S460 PolarHBondContact O-N 3.37Å; L457-S460 PolarHBondContact O-OG 3.35Å; L457-Q461 PolarHBondContact O-N 3.3Å
458R81.9Confident79.8Confident154 Ų154115.9 Ų115.958%0.58161%0.611SS**Hα-helixtrans-57-46.6173.6-67.4-178.8-170.3-167.25.7111.2E454 S460 Q461E454-R458 WeakPolarHBondContact O-CG 3.36Å; E454-R458 PolarHBondContact O-N 2.78Å; E454-R458 IonicContact OE1-CZ 2.65Å; E454-R458 VanDerWaalsContact OE1-CZ 3.27Å; E454-R458 IonicContact OE1-NE 3.73Å; E454-R458 PolarHBondContact OE1-NE 2.72Å; E454-R458 VanDerWaalsContact OE1-NE 3.1Å; E454-R458 IonicContact OE1-NH2 3.65Å; E454-R458 PolarHBondContact OE1-NH2 3.2Å; R458-S460 PolarHBondContact O-N 2.75Å; R458-S460 VanDerWaalsContact O-N 3.07Å; R458-Q461 PolarHBondContact O-N 3.4Å; R458-Q461 VanDerWaalsContact O-N 3.11Å
459K83.9Confident80Confident180 Ų180116.6 Ų116.678%0.78362%0.619SS**THydrogen-bonded Turntrans-670.4174.2-74.8-173.9176.2-173.50115N455 V456 L457N455-K459 WeakPolarHBondContact O-CB 3.33Å; N455-K459 WeakPolarHBondContact O-CG 3.22Å; N455-K459 PolarHBondContact O-N 3.39Å; V456-K459 PolarHBondContact O-N 2.92Å; L457-K459 PolarHBondContact O-N 3.39Å
460S76.6Confident80.4Confident83 Ų83115.8 Ų115.858%0.5862%0.619SS**THydrogen-bonded Turntrans-111.9-0.1173.473.40000113.8V456 L457 R458V456-S460 PolarHBondContact O-N 3.44Å; L457-S460 PolarHBondContact O-N 3.37Å; L457-S460 PolarHBondContact O-OG 3.35Å; R458-S460 PolarHBondContact O-N 2.75Å; R458-S460 VanDerWaalsContact O-N 3.07Å
461Q78.6Confident80.8Confident166 Ų166115.7 Ų115.778%0.77663%0.627SS**THydrogen-bonded Turntrans-116.3-4.8-177.8-69.3-178.7-10.300113.6L457 R458L457-Q461 PolarHBondContact O-N 3.3Å; R458-Q461 PolarHBondContact O-N 3.4Å; R458-Q461 VanDerWaalsContact O-N 3.11Å
462G74.3Confident80.7Confident124 Ų124111.5 Ų111.5100%1.27863%0.629SS**  trans-123.60165.900000110.4

Retrieved 462 of 462 residues in 51 ms (Link to these results)