A0A3Q0KTS8_SCHMA Loading...

Putative merlin/moesin/ezrin/radixin

AlphaFold DB (A0A5K4EWI2), UniProt , Accession A0A3Q0KTS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,320 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
1M36.3Very low50.5Low233 Ų233144.8 Ų144.8100%1.14874%0.74SS**  01420-66.7163.4177.600108.5
2K37.1Very low53.6Low201 Ų201139.7 Ų139.787%0.87471%0.708SS**  trans-88.4115.3177.4-78.5-173.7176.1-179.60110.4N4K2-N4 PolarHBondContact O-N 2.73Å
3W36.8Very low56.4Low252 Ų252128.9 Ų128.996%0.95565%0.654SS**  trans-75.3105.4166.7-70.284.6000108.7
4N39.6Very low58.8Low145 Ų145124.3 Ų124.378%0.77562%0.624SS**  trans-80.8118.8173.3-91.2-9.1000109.5K2 S6K2-N4 PolarHBondContact O-N 2.73Å; N4-S6 PolarHBondContact O-N 3Å
5N35.4Very low61.1Low158 Ų158116 Ų11685%0.84558%0.583SS**  trans-60.1116.7-178.4-142.70.9000110.4
6S39.2Very low63Low108 Ų108109.4 Ų109.476%0.75555%0.55SS**  trans-96.47.4-165.353.10000115.1N4 A8N4-S6 PolarHBondContact O-N 3Å; S6-A8 PolarHBondContact O-N 3.04Å
7D42.1Very low64.7Low145 Ų145103.6 Ų103.678%0.77552%0.521SS*.  trans-69.973.1172.8-78-23.4000111.7K9D7-K9 PolarHBondContact O-N 2.93Å
8A53.4Low65.7Low74 Ų74102.8 Ų102.861%0.61252%0.515SS*.  trans-70.976176.400000110.8S6 C10S6-A8 PolarHBondContact O-N 3.04Å; A8-C10 PolarHBondContact O-N 3.03Å
9K70.8Confident66.6Low187 Ų187103 Ų10381%0.81351%0.514SS*.  trans-38.8104.1-177.9-166.9172.5-173.8173.60111.9D7D7-K9 PolarHBondContact O-N 2.93Å
10C80.8Confident67.7Low76 Ų76100.3 Ų100.351%0.51451%0.505SS..PPolyproline II helixtrans-69.9145.2-177-71.70000111.1A8 K12 N25A8-C10 PolarHBondContact O-N 3.03Å; C10-K12 PolarHBondContact O-N 2.87Å; C10-N25 HydrophobicContact CB-CB 4.33Å
11L83.7Confident68.8Low14 Ų1499.3 Ų99.37%0.07350%0.499CS..EExtended strand (participates in β ladder)trans-77.9119.1169.8-58.2-178.3000108.5I13 N25 I26 P28 V77 I84 L88L11-I13 HydrophobicContact CB-CD1 4.43Å; L11-I13 HydrophobicContact CB-CG1 4.16Å; L11-N25 WeakPolarHBondContact O-CA 3.32Å; L11-I26 WeakPolarHBondContact CB-O 3.49Å; L11-I26 PolarHBondContact N-O 3.19Å; L11-I26 PolarHBondContact O-N 3.3Å; L11-P28 HydrophobicContact CD1-CB 4.06Å; L11-P28 HydrophobicContact CD2-CB 4.29Å; L11-P28 HydrophobicContact CG-CB 4Å; L11-V77 HydrophobicContact CD1-CG2 3.68Å; L11-I84 HydrophobicContact CD2-CG2 4.14Å; L11-L88 HydrophobicContact CD1-CD1 4.13Å
12K88Confident71.5Confident83 Ų8389.6 Ų89.636%0.36145%0.452SS..EExtended strand (participates in β ladder)trans-75.9122.7163.8-176.1168.4-179.6174.80108.6C10 E23 S87 L88C10-K12 PolarHBondContact O-N 2.87Å; K12-E23 WeakPolarHBondContact CE-OE1 3.3Å; K12-E23 WeakPolarHBondContact CE-OE2 3.42Å; K12-E23 VanDerWaalsContact NZ-CD 3.28Å; K12-E23 IonicContact NZ-OE1 2.81Å; K12-E23 PolarHBondContact NZ-OE1 2.93Å; K12-E23 IonicContact NZ-OE2 2.7Å; K12-E23 PolarHBondContact NZ-OE2 3.27Å; K12-S87 VanDerWaalsContact O-CA 3.28Å; K12-S87 WeakPolarHBondContact O-CA 3.38Å; K12-L88 PolarHBondContact O-N 2.93Å
13I89.8Confident74.1Confident0 Ų084.2 Ų84.20%043%0.43CS..EExtended strand (participates in β ladder)trans-121139-178.3-58.3-170.7000108.1L11 V15 E23 F24 I26 L35 I76 L88 F90L11-I13 HydrophobicContact CB-CD1 4.43Å; L11-I13 HydrophobicContact CB-CG1 4.16Å; I13-V15 HydrophobicContact CG2-CG2 4.21Å; I13-E23 CarbonylContact O-C 3.51Å; I13-E23 WeakPolarHBondContact O-CA 2.88Å; I13-F24 PolarHBondContact N-O 2.57Å; I13-F24 PolarHBondContact O-N 2.69Å; I13-I26 HydrophobicContact CD1-CB 4.15Å; I13-I26 HydrophobicContact CD1-CD1 4.23Å; I13-I26 HydrophobicContact CD1-CG1 4.38Å; I13-L35 HydrophobicContact CD1-CD2 4.26Å; I13-L35 HydrophobicContact CG2-CD1 3.98Å; I13-L35 HydrophobicContact CG2-CD2 3.98Å; I13-I76 HydrophobicContact CD1-CD1 3.93Å; I13-L88 WeakPolarHBondContact CA-O 3.35Å; I13-L88 HydrophobicContact CG1-CB 4.31Å; I13-L88 HydrophobicContact CG1-CD1 4.45Å; I13-L88 WeakPolarHBondContact CG2-O 3.42Å; I13-F90 HydrophobicContact CG2-CD2 3.63Å; I13-F90 HydrophobicContact CG2-CE2 3.78Å
14R91Very high76.8Confident64 Ų6473.4 Ų73.424%0.24239%0.39CS..EExtended strand (participates in β ladder)trans-116.6136169.8-175.6179-65.1-169.56.9109.3E21 L22 E23 L88 C89 F90R14-E21 WeakPolarHBondContact CD-OE2 3.42Å; R14-E21 IonicContact CZ-OE2 3.29Å; R14-E21 IonicContact NE-OE2 2.74Å; R14-E21 IonicContact NH1-OE2 2.9Å; R14-E21 PolarHBondContact NH1-OE2 2.92Å; R14-L22 CarbonylContact C-O 3.57Å; R14-L22 WeakPolarHBondContact CA-O 3.47Å; R14-E23 HydrophobicContact CB-CG 4.35Å; R14-E23 HydrophobicContact CG-CG 4.18Å; R14-E23 IonicContact CZ-OE1 2.99Å; R14-E23 VanDerWaalsContact CZ-OE1 3.26Å; R14-E23 IonicContact NE-OE1 3.24Å; R14-E23 PolarHBondContact NE-OE1 2.62Å; R14-E23 IonicContact NH2-OE1 3.86Å; R14-E23 PolarHBondContact NH2-OE1 3.19Å; R14-L88 PolarHBondContact N-O 3.46Å; R14-C89 CarbonylContact O-C 3.59Å; R14-C89 WeakPolarHBondContact O-CA 3.41Å; R14-F90 PolarHBondContact O-N 3.39Å
15V92.4Very high79.2Confident0 Ų072.3 Ų72.30%038%0.384CS..EExtended strand (participates in β ladder)trans-123.1111.2175.1-1740000108.4I13 L17 L22 F24 L35 V39 L53 F90 F92I13-V15 HydrophobicContact CG2-CG2 4.21Å; V15-L17 HydrophobicContact CG1-CD1 3.96Å; V15-L22 HydrophobicContact CB-CB 4.49Å; V15-L22 PolarHBondContact N-O 3.47Å; V15-L22 PolarHBondContact O-N 3.43Å; V15-F24 HydrophobicContact CB-CE2 4.29Å; V15-F24 HydrophobicContact CG2-CD2 4.09Å; V15-F24 HydrophobicContact CG2-CE2 3.95Å; V15-L35 HydrophobicContact CG2-CD1 3.99Å; V15-V39 HydrophobicContact CB-CG2 4.12Å; V15-V39 HydrophobicContact CG1-CG1 4.32Å; V15-V39 HydrophobicContact CG1-CG2 3.94Å; V15-V39 HydrophobicContact CG2-CG2 3.81Å; V15-L53 HydrophobicContact CG1-CD2 3.47Å; V15-L53 VanDerWaalsContact CG1-CD2 3.47Å; V15-L53 HydrophobicContact CG2-CD2 4.39Å; V15-F90 CarbonylContact C-O 3.59Å; V15-F90 WeakPolarHBondContact CA-O 3.48Å; V15-F90 HydrophobicContact CG2-CB 4.47Å; V15-F92 HydrophobicContact CG1-CB 3.95Å
16T91.2Very high81.8Confident10 Ų1065 Ų656%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-89.1122.9179.8-53.70000109.1E21 F90 F91 F92 Y813T16-E21 HydrophobicContact CG2-CG 4.29Å; T16-E21 PolarHBondContact OG1-OE1 2.95Å; T16-F90 PolarHBondContact N-O 3.15Å; T16-F91 HydrophobicContact CG2-CD1 4.12Å; T16-F91 HydrophobicContact CG2-CE1 4.05Å; T16-F91 WeakPolarHBondContact O-CA 3.31Å; T16-F92 PolarHBondContact O-N 3.42Å; T16-Y813 HydrophobicContact CG2-CE2 3.96Å; T16-Y813 WeakPolarHBondContact CG2-OH 3.19Å
17L92.2Very high84.2Confident11 Ų1162.3 Ų62.36%0.05833%0.326CS..  trans-104.8171168.7-80.871.2000108.6V15 E19 S20 L22 V39 I43 F92 L113V15-L17 HydrophobicContact CG1-CD1 3.96Å; L17-E19 VanDerWaalsContact C-N 3.29Å; L17-E19 PolarHBondContact O-N 3.38Å; L17-S20 CarbonylContact C-O 3.6Å; L17-S20 WeakPolarHBondContact CA-O 3.12Å; L17-S20 WeakPolarHBondContact CB-O 3.47Å; L17-S20 PolarHBondContact N-O 2.96Å; L17-L22 HydrophobicContact CD1-CD1 4Å; L17-L22 HydrophobicContact CD1-CG 4.33Å; L17-V39 HydrophobicContact CD1-CG1 4.49Å; L17-I43 HydrophobicContact CD2-CD1 4.16Å; L17-I43 HydrophobicContact CD2-CG2 3.8Å; L17-F92 HydrophobicContact CD1-CB 3.7Å; L17-F92 HydrophobicContact CD1-CG 4.27Å; L17-F92 HydrophobicContact CD2-CD1 4.28Å; L17-F92 HydrophobicContact CG-CB 3.89Å; L17-F92 HydrophobicContact CG-CD1 4.04Å; L17-F92 HydrophobicContact CG-CG 4.24Å; L17-L113 HydrophobicContact CD2-CD2 4.3Å
18H82.6Confident86.2Confident89 Ų8957.8 Ų57.841%0.41230%0.304SS..SBendtrans-70.3-21.9-178.5-157.583.6000114.3L116 S120H18-L116 HydrophobicContact CB-CB 4.04Å; H18-L116 HydrophobicContact CB-CD1 4.29Å; H18-S120 VanDerWaalsContact CE1-CB 3.41Å; H18-S120 WeakPolarHBondContact CE1-CB 3.48Å; H18-S120 PolarHBondContact CE1-OG 3.3Å
19E82.7Confident87.7Confident107 Ų10762.2 Ų62.250%0.531%0.31SS..SBendtrans-115.1-7.3177.7-85.4177.1162.800114L17 R112 L116 R212L17-E19 VanDerWaalsContact C-N 3.29Å; L17-E19 PolarHBondContact O-N 3.38Å; E19-R112 IonicContact OE1-CZ 2.87Å; E19-R112 IonicContact OE1-NE 2.64Å; E19-R112 PolarHBondContact OE1-NE 2.84Å; E19-R112 IonicContact OE1-NH2 3.71Å; E19-R112 PolarHBondContact OE1-NH2 3.29Å; E19-R112 IonicContact OE2-NE 2.7Å; E19-L116 HydrophobicContact CB-CD1 4.44Å; E19-L116 VanDerWaalsContact CD-CD1 3.43Å; E19-L116 HydrophobicContact CG-CD1 3.64Å; E19-L116 HydrophobicContact CG-CD2 4.3Å; E19-R212 IonicContact OE1-NH2 2.65Å
20S88.2Confident88.7Confident48 Ų4854.4 Ų54.434%0.33628%0.279SS..  trans-158.9155.8-171.156.90000113.3L17L17-S20 CarbonylContact C-O 3.6Å; L17-S20 WeakPolarHBondContact CA-O 3.12Å; L17-S20 WeakPolarHBondContact CB-O 3.47Å; L17-S20 PolarHBondContact N-O 2.96Å
21E91.3Very high89.3Confident81 Ų8153.3 Ų53.338%0.37927%0.27SS..EExtended strand (participates in β ladder)trans-110.1135.5164.9-58.4-149116.900109.8R14 T16R14-E21 WeakPolarHBondContact CD-OE2 3.42Å; R14-E21 IonicContact CZ-OE2 3.29Å; R14-E21 IonicContact NE-OE2 2.74Å; R14-E21 IonicContact NH1-OE2 2.9Å; R14-E21 PolarHBondContact NH1-OE2 2.92Å; T16-E21 HydrophobicContact CG2-CG 4.29Å; T16-E21 PolarHBondContact OG1-OE1 2.95Å
22L93.4Very high89.7Confident29 Ų2952.7 Ų52.715%0.15227%0.266CS..EExtended strand (participates in β ladder)trans-112.8127.7176-55.4176.8000109.1R14 V15 L17 F24 V39 T42 I43R14-L22 CarbonylContact C-O 3.57Å; R14-L22 WeakPolarHBondContact CA-O 3.47Å; V15-L22 HydrophobicContact CB-CB 4.49Å; V15-L22 PolarHBondContact N-O 3.47Å; V15-L22 PolarHBondContact O-N 3.43Å; L17-L22 HydrophobicContact CD1-CD1 4Å; L17-L22 HydrophobicContact CD1-CG 4.33Å; L22-F24 HydrophobicContact CB-CD2 4.44Å; L22-F24 HydrophobicContact CB-CE2 3.55Å; L22-F24 HydrophobicContact CB-CZ 3.72Å; L22-F24 HydrophobicContact CD1-CE2 4.3Å; L22-F24 HydrophobicContact CD1-CZ 3.97Å; L22-F24 HydrophobicContact CG-CZ 4.44Å; L22-V39 HydrophobicContact CD1-CG1 4.35Å; L22-T42 HydrophobicContact CD1-CG2 4.1Å; L22-T42 HydrophobicContact CD2-CG2 3.99Å; L22-I43 HydrophobicContact CD1-CG2 3.98Å
23E92.7Very high90Very high88 Ų8853.7 Ų53.741%0.41127%0.271SS..EExtended strand (participates in β ladder)trans-109.8132.7173.3-65-160.6134.500111.2K12 I13 R14K12-E23 WeakPolarHBondContact CE-OE1 3.3Å; K12-E23 WeakPolarHBondContact CE-OE2 3.42Å; K12-E23 VanDerWaalsContact NZ-CD 3.28Å; K12-E23 IonicContact NZ-OE1 2.81Å; K12-E23 PolarHBondContact NZ-OE1 2.93Å; K12-E23 IonicContact NZ-OE2 2.7Å; K12-E23 PolarHBondContact NZ-OE2 3.27Å; I13-E23 CarbonylContact O-C 3.51Å; I13-E23 WeakPolarHBondContact O-CA 2.88Å; R14-E23 HydrophobicContact CB-CG 4.35Å; R14-E23 HydrophobicContact CG-CG 4.18Å; R14-E23 IonicContact CZ-OE1 2.99Å; R14-E23 VanDerWaalsContact CZ-OE1 3.26Å; R14-E23 IonicContact NE-OE1 3.24Å; R14-E23 PolarHBondContact NE-OE1 2.62Å; R14-E23 IonicContact NH2-OE1 3.86Å; R14-E23 PolarHBondContact NH2-OE1 3.19Å
24F92.1Very high90.3Very high25 Ų2559.4 Ų59.411%0.1129%0.293CS..EExtended strand (participates in β ladder)trans-129.7144.4-178.1-55.3-78000110.7I13 V15 L22 I26 L35 L38 V39I13-F24 PolarHBondContact N-O 2.57Å; I13-F24 PolarHBondContact O-N 2.69Å; V15-F24 HydrophobicContact CB-CE2 4.29Å; V15-F24 HydrophobicContact CG2-CD2 4.09Å; V15-F24 HydrophobicContact CG2-CE2 3.95Å; L22-F24 HydrophobicContact CB-CD2 4.44Å; L22-F24 HydrophobicContact CB-CE2 3.55Å; L22-F24 HydrophobicContact CB-CZ 3.72Å; L22-F24 HydrophobicContact CD1-CE2 4.3Å; L22-F24 HydrophobicContact CD1-CZ 3.97Å; L22-F24 HydrophobicContact CG-CZ 4.44Å; F24-I26 HydrophobicContact CB-CD1 3.96Å; F24-I26 HydrophobicContact CB-CG1 3.88Å; F24-L35 HydrophobicContact CD2-CD1 4.04Å; F24-L35 HydrophobicContact CE2-CD1 4.5Å; F24-L38 HydrophobicContact CB-CD2 4.39Å; F24-L38 HydrophobicContact CD1-CD2 3.47Å; F24-L38 VanDerWaalsContact CD1-CD2 3.47Å; F24-L38 HydrophobicContact CD1-CG 3.9Å; F24-L38 HydrophobicContact CE1-CD1 4.42Å; F24-L38 HydrophobicContact CE1-CD2 3.84Å; F24-L38 HydrophobicContact CE1-CG 3.69Å; F24-L38 HydrophobicContact CG-CD2 3.99Å; F24-L38 HydrophobicContact CZ-CG 4.32Å; F24-V39 HydrophobicContact CE2-CG2 3.63Å; F24-V39 HydrophobicContact CZ-CG2 3.99Å
25N91.2Very high90.5Very high122 Ų12256.4 Ų56.465%0.65228%0.282SS*.EExtended strand (participates in β ladder)trans-107.2113.6168.6-65.8-46.3000108.3C10 L11C10-N25 HydrophobicContact CB-CB 4.33Å; L11-N25 WeakPolarHBondContact O-CA 3.32Å
26I89.8Confident90.6Very high5 Ų557 Ų573%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-126.7144.2-169.9-56.9-168.2000110.7L11 I13 F24 S30 Y34 L35 L38L11-I26 WeakPolarHBondContact CB-O 3.49Å; L11-I26 PolarHBondContact N-O 3.19Å; L11-I26 PolarHBondContact O-N 3.3Å; I13-I26 HydrophobicContact CD1-CB 4.15Å; I13-I26 HydrophobicContact CD1-CD1 4.23Å; I13-I26 HydrophobicContact CD1-CG1 4.38Å; F24-I26 HydrophobicContact CB-CD1 3.96Å; F24-I26 HydrophobicContact CB-CG1 3.88Å; I26-S30 VanDerWaalsContact CG2-CB 3.5Å; I26-S30 WeakPolarHBondContact CG2-OG 3.42Å; I26-Y34 HydrophobicContact CD1-CD1 4.32Å; I26-Y34 HydrophobicContact CD1-CE1 4.24Å; I26-Y34 HydrophobicContact CG2-CD1 3.95Å; I26-Y34 HydrophobicContact CG2-CE1 3.96Å; I26-L35 HydrophobicContact CD1-CB 4.21Å; I26-L35 HydrophobicContact CD1-CD1 3.62Å; I26-L35 HydrophobicContact CD1-CG 4.49Å; I26-L38 HydrophobicContact CD1-CD2 3.91Å
27S87.9Confident90.8Very high51 Ų5159.7 Ų59.736%0.35730%0.299SS..  trans-59.9137.4175-174.30000111.6K29 S30S27-K29 PolarHBondContact O-N 3.06Å; S27-K29 PolarHBondContact OG-N 2.9Å; S27-S30 WeakPolarHBondContact O-CB 3.23Å; S27-S30 PolarHBondContact O-N 2.82Å; S27-S30 PolarHBondContact O-OG 2.87Å
28P84.4Confident91Very high50 Ų5061.7 Ų61.733%0.32531%0.309SS..THydrogen-bonded Turntrans-62.6-10.7175.325-34.4000114.2L11 V77L11-P28 HydrophobicContact CD1-CB 4.06Å; L11-P28 HydrophobicContact CD2-CB 4.29Å; L11-P28 HydrophobicContact CG-CB 4Å; P28-V77 HydrophobicContact CB-CG2 3.97Å; P28-V77 WeakPolarHBondContact O-CG2 3.5Å
29K86.3Confident91.6Very high167 Ų16757.5 Ų57.573%0.72629%0.289SS*.THydrogen-bonded Turntrans-79.1-14.2174.1-64.5-178.3-179.7178.10113.7S27S27-K29 PolarHBondContact O-N 3.06Å; S27-K29 PolarHBondContact OG-N 2.9Å
30S90.7Very high92.2Very high23 Ų2352.6 Ų52.616%0.16127%0.267CS..  trans-71.9150.6-170.3-63.70000114.9I26 S27 K75 I76I26-S30 VanDerWaalsContact CG2-CB 3.5Å; I26-S30 WeakPolarHBondContact CG2-OG 3.42Å; S27-S30 WeakPolarHBondContact O-CB 3.23Å; S27-S30 PolarHBondContact O-N 2.82Å; S27-S30 PolarHBondContact O-OG 2.87Å; S30-K75 WeakPolarHBondContact O-CA 3.43Å; S30-I76 PolarHBondContact O-N 2.91Å; S30-I76 VanDerWaalsContact O-N 3.13Å
31T93.9Very high92.5Very high53 Ų5354.8 Ų54.833%0.32528%0.283SS..BIsolated β-bridgetrans-83.8160.8176.757.40000112.4K33 Y34 L35 K74T31-K33 PolarHBondContact O-N 2.73Å; T31-Y34 PolarHBondContact O-N 2.88Å; T31-Y34 PolarHBondContact OG1-N 2.79Å; T31-L35 PolarHBondContact O-N 3.27Å; T31-K74 CarbonylContact C-O 3.57Å; T31-K74 WeakPolarHBondContact CA-O 3.18Å
32G92.1Very high92.7Very high0 Ų054.6 Ų54.60%029%0.287CS..Hα-helixtrans-58.6-34.417000000112.3Y34 L35 F36 K74G32-Y34 PolarHBondContact O-N 2.93Å; G32-L35 PolarHBondContact O-N 3.06Å; G32-F36 WeakPolarHBondContact O-CB 3.41Å; G32-F36 PolarHBondContact O-N 2.84Å; G32-K74 PolarHBondContact N-O 2.9Å
33K94.8Very high92.7Very high105 Ų10554.9 Ų54.946%0.45729%0.288SS..Hα-helixtrans-58.6-46.3174-160.7-161-177.7-59.20111.8T31 L35 F36 D37 L72T31-K33 PolarHBondContact O-N 2.73Å; K33-L35 PolarHBondContact O-N 2.79Å; K33-F36 PolarHBondContact O-N 2.91Å; K33-F36 VanDerWaalsContact O-N 3.14Å; K33-D37 IonicContact NZ-OD1 2.67Å; K33-D37 PolarHBondContact NZ-OD1 2.83Å; K33-D37 IonicContact NZ-OD2 3.14Å; K33-D37 PolarHBondContact NZ-OD2 2.77Å; K33-D37 WeakPolarHBondContact O-CB 3.2Å; K33-D37 PolarHBondContact O-N 3.25Å; K33-L72 HydrophobicContact CB-CB 4.02Å; K33-L72 WeakPolarHBondContact CB-O 3.33Å; K33-L72 PolarHBondContact N-O 3.46Å
34Y95.1Very high92.7Very high120 Ų12052.6 Ų52.647%0.47129%0.289SS..Hα-helixtrans-60.4-43.7-178.6179.9-94.6000112.7I26 T31 G32 L38I26-Y34 HydrophobicContact CD1-CD1 4.32Å; I26-Y34 HydrophobicContact CD1-CE1 4.24Å; I26-Y34 HydrophobicContact CG2-CD1 3.95Å; I26-Y34 HydrophobicContact CG2-CE1 3.96Å; T31-Y34 PolarHBondContact O-N 2.88Å; T31-Y34 PolarHBondContact OG1-N 2.79Å; G32-Y34 PolarHBondContact O-N 2.93Å; Y34-L38 HydrophobicContact CE1-CD2 4.45Å; Y34-L38 VanDerWaalsContact O-CB 3.28Å; Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 2.93Å; Y34-L38 VanDerWaalsContact O-N 3.08Å
35L94.6Very high92.8Very high0 Ų051.8 Ų51.80%029%0.285CS..Hα-helixtrans-64.4-41.8174.3172.264.4000111.6I13 V15 F24 I26 T31 G32 K33 L38 V39 L53 L70 I76 F90I13-L35 HydrophobicContact CD1-CD2 4.26Å; I13-L35 HydrophobicContact CG2-CD1 3.98Å; I13-L35 HydrophobicContact CG2-CD2 3.98Å; V15-L35 HydrophobicContact CG2-CD1 3.99Å; F24-L35 HydrophobicContact CD2-CD1 4.04Å; F24-L35 HydrophobicContact CE2-CD1 4.5Å; I26-L35 HydrophobicContact CD1-CB 4.21Å; I26-L35 HydrophobicContact CD1-CD1 3.62Å; I26-L35 HydrophobicContact CD1-CG 4.49Å; T31-L35 PolarHBondContact O-N 3.27Å; G32-L35 PolarHBondContact O-N 3.06Å; K33-L35 PolarHBondContact O-N 2.79Å; L35-L38 PolarHBondContact O-N 2.83Å; L35-V39 HydrophobicContact CD1-CG2 4.27Å; L35-V39 VanDerWaalsContact O-CG2 3.28Å; L35-V39 WeakPolarHBondContact O-CG2 3.48Å; L35-V39 PolarHBondContact O-N 3.49Å; L35-L53 HydrophobicContact CB-CD1 4.49Å; L35-L53 HydrophobicContact CD2-CD1 3.83Å; L35-L53 HydrophobicContact CG-CD1 3.75Å; L35-L70 HydrophobicContact CD2-CD2 4.13Å; L35-I76 HydrophobicContact CB-CD1 3.86Å; L35-I76 HydrophobicContact CD2-CD1 4.02Å; L35-F90 HydrophobicContact CD2-CD2 3.92Å; L35-F90 HydrophobicContact CD2-CE2 3.97Å; L35-F90 HydrophobicContact CD2-CG 4.47Å
36F95.7Very high93Very high13 Ų1349.6 Ų49.66%0.05727%0.268CS..Hα-helixtrans-66.2-45.4179.6-178.8-103.8000112.8G32 K33 L38 V39 C40 F51 L53 L72 F92G32-F36 WeakPolarHBondContact O-CB 3.41Å; G32-F36 PolarHBondContact O-N 2.84Å; K33-F36 PolarHBondContact O-N 2.91Å; K33-F36 VanDerWaalsContact O-N 3.14Å; F36-L38 VanDerWaalsContact C-N 3.31Å; F36-L38 PolarHBondContact O-N 3.15Å; F36-V39 PolarHBondContact O-N 2.91Å; F36-C40 WeakPolarHBondContact O-CB 3.26Å; F36-C40 PolarHBondContact O-N 2.73Å; F36-C40 PolarHBondContact O-SG 2.77Å; F36-F51 HydrophobicContact CE2-CB 4.23Å; F36-F51 HydrophobicContact CZ-CB 4.33Å; F36-L53 HydrophobicContact CB-CD1 4.12Å; F36-L53 HydrophobicContact CD2-CD1 4.3Å; F36-L53 HydrophobicContact CD2-CG 4.2Å; F36-L72 HydrophobicContact CB-CD2 3.75Å; F36-L72 HydrophobicContact CD1-CD1 4.09Å; F36-L72 HydrophobicContact CD1-CD2 4.47Å; F36-L72 HydrophobicContact CE1-CD1 4.45Å; F36-L72 HydrophobicContact CG-CD1 4.44Å; F36-L72 HydrophobicContact CG-CD2 4.03Å; F36-F92 HydrophobicContact CD2-CE2 4.26Å; F36-F92 HydrophobicContact CE2-CD2 4.49Å; F36-F92 AromaticContact CE2-CE2 3.79Å; F36-F92 HydrophobicContact CE2-CE2 3.79Å
37D96Very high93.3Very high67 Ų6749.3 Ų49.336%0.35827%0.267SS..Hα-helixtrans-59.1-44175.1-64.7-22000110.7K33 C40 S41K33-D37 IonicContact NZ-OD1 2.67Å; K33-D37 PolarHBondContact NZ-OD1 2.83Å; K33-D37 IonicContact NZ-OD2 3.14Å; K33-D37 PolarHBondContact NZ-OD2 2.77Å; K33-D37 WeakPolarHBondContact O-CB 3.2Å; K33-D37 PolarHBondContact O-N 3.25Å; D37-C40 PolarHBondContact O-N 2.97Å; D37-S41 WeakPolarHBondContact O-CB 3.44Å; D37-S41 PolarHBondContact O-N 3.5Å
38L95.2Very high93.7Very high53 Ų5349.1 Ų49.128%0.27726%0.263SS..Hα-helixtrans-62.2-48.1178.4-177.461.7000111.6F24 I26 Y34 L35 F36 C40 S41 T42F24-L38 HydrophobicContact CB-CD2 4.39Å; F24-L38 HydrophobicContact CD1-CD2 3.47Å; F24-L38 VanDerWaalsContact CD1-CD2 3.47Å; F24-L38 HydrophobicContact CD1-CG 3.9Å; F24-L38 HydrophobicContact CE1-CD1 4.42Å; F24-L38 HydrophobicContact CE1-CD2 3.84Å; F24-L38 HydrophobicContact CE1-CG 3.69Å; F24-L38 HydrophobicContact CG-CD2 3.99Å; F24-L38 HydrophobicContact CZ-CG 4.32Å; I26-L38 HydrophobicContact CD1-CD2 3.91Å; Y34-L38 HydrophobicContact CE1-CD2 4.45Å; Y34-L38 VanDerWaalsContact O-CB 3.28Å; Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 PolarHBondContact O-N 2.93Å; Y34-L38 VanDerWaalsContact O-N 3.08Å; L35-L38 PolarHBondContact O-N 2.83Å; F36-L38 VanDerWaalsContact C-N 3.31Å; F36-L38 PolarHBondContact O-N 3.15Å; L38-C40 PolarHBondContact O-N 2.82Å; L38-S41 PolarHBondContact O-N 2.75Å; L38-T42 PolarHBondContact O-N 2.71Å; L38-T42 PolarHBondContact O-OG1 3.19Å; L38-T42 VanDerWaalsContact O-OG1 3.09Å
39V95.5Very high94.2Very high0 Ų049.1 Ų49.10%026%0.257CS..Hα-helixtrans-57.1-49.2174.6170.30000111.1V15 L17 L22 F24 L35 F36 S41 T42 I43 F92V15-V39 HydrophobicContact CB-CG2 4.12Å; V15-V39 HydrophobicContact CG1-CG1 4.32Å; V15-V39 HydrophobicContact CG1-CG2 3.94Å; V15-V39 HydrophobicContact CG2-CG2 3.81Å; L17-V39 HydrophobicContact CD1-CG1 4.49Å; L22-V39 HydrophobicContact CD1-CG1 4.35Å; F24-V39 HydrophobicContact CE2-CG2 3.63Å; F24-V39 HydrophobicContact CZ-CG2 3.99Å; L35-V39 HydrophobicContact CD1-CG2 4.27Å; L35-V39 VanDerWaalsContact O-CG2 3.28Å; L35-V39 WeakPolarHBondContact O-CG2 3.48Å; L35-V39 PolarHBondContact O-N 3.49Å; F36-V39 PolarHBondContact O-N 2.91Å; V39-S41 VanDerWaalsContact C-N 3.31Å; V39-S41 PolarHBondContact O-N 3.49Å; V39-T42 PolarHBondContact O-N 3.09Å; V39-I43 WeakPolarHBondContact O-CG1 3.43Å; V39-I43 PolarHBondContact O-N 2.89Å; V39-F92 HydrophobicContact CG1-CD2 3.57Å; V39-F92 HydrophobicContact CG1-CE2 3.85Å; V39-F92 HydrophobicContact CG1-CG 4.15Å
40C95.7Very high94.6Very high4 Ų441.5 Ų41.53%0.02722%0.223CC..Hα-helixtrans-62-39.3-180-650000112F36 D37 L38 I43 G44 L45 T48F36-C40 WeakPolarHBondContact O-CB 3.26Å; F36-C40 PolarHBondContact O-N 2.73Å; F36-C40 PolarHBondContact O-SG 2.77Å; D37-C40 PolarHBondContact O-N 2.97Å; L38-C40 PolarHBondContact O-N 2.82Å; C40-I43 WeakPolarHBondContact O-CG1 3.42Å; C40-I43 PolarHBondContact O-N 2.85Å; C40-G44 PolarHBondContact O-N 3.22Å; C40-G44 VanDerWaalsContact O-N 3.11Å; C40-L45 HydrophobicContact CB-CB 4.47Å; C40-L45 PolarHBondContact O-N 3.16Å; C40-T48 HydrophobicContact CB-CG2 3.72Å
41S95Very high94.9Very high95 Ų9541 Ų4166%0.66422%0.218SC*.Hα-helixtrans-67.1-39.8175.9-169.80000112.7D37 L38 V39 I43 G44D37-S41 WeakPolarHBondContact O-CB 3.44Å; D37-S41 PolarHBondContact O-N 3.5Å; L38-S41 PolarHBondContact O-N 2.75Å; V39-S41 VanDerWaalsContact C-N 3.31Å; V39-S41 PolarHBondContact O-N 3.49Å; S41-I43 VanDerWaalsContact C-N 3.29Å; S41-I43 PolarHBondContact O-N 2.87Å; S41-G44 PolarHBondContact O-N 3.13Å
42T94.9Very high94.9Very high77 Ų7738.8 Ų38.847%0.47221%0.207SC..Hα-helixtrans-64-34.1177.9-62.40000112.2L22 L38 V39L22-T42 HydrophobicContact CD1-CG2 4.1Å; L22-T42 HydrophobicContact CD2-CG2 3.99Å; L38-T42 PolarHBondContact O-N 2.71Å; L38-T42 PolarHBondContact O-OG1 3.19Å; L38-T42 VanDerWaalsContact O-OG1 3.09Å; V39-T42 PolarHBondContact O-N 3.09Å
43I93.3Very high94.9Very high34 Ų3438.9 Ų38.917%0.17421%0.207CC..THydrogen-bonded Turntrans-94.4-1-179.870.9-174000114L17 L22 V39 C40 S41 L45 F92 T109 L113L17-I43 HydrophobicContact CD2-CD1 4.16Å; L17-I43 HydrophobicContact CD2-CG2 3.8Å; L22-I43 HydrophobicContact CD1-CG2 3.98Å; V39-I43 WeakPolarHBondContact O-CG1 3.43Å; V39-I43 PolarHBondContact O-N 2.89Å; C40-I43 WeakPolarHBondContact O-CG1 3.42Å; C40-I43 PolarHBondContact O-N 2.85Å; S41-I43 VanDerWaalsContact C-N 3.29Å; S41-I43 PolarHBondContact O-N 2.87Å; I43-L45 VanDerWaalsContact C-N 3.31Å; I43-L45 HydrophobicContact CD1-CB 3.92Å; I43-L45 HydrophobicContact CD1-CD2 4.2Å; I43-L45 HydrophobicContact CG1-CB 3.69Å; I43-L45 PolarHBondContact O-N 3.45Å; I43-F92 HydrophobicContact CD1-CE1 3.94Å; I43-F92 HydrophobicContact CD1-CZ 3.96Å; I43-T109 WeakPolarHBondContact O-CG2 3.41Å; I43-L113 HydrophobicContact CD1-CD1 4.13Å
44G93Very high94.6Very high41 Ų4134.8 Ų34.842%0.42319%0.189SC..THydrogen-bonded Turntrans70.721.3-178.900000115C40 S41 Q107C40-G44 PolarHBondContact O-N 3.22Å; C40-G44 VanDerWaalsContact O-N 3.11Å; S41-G44 PolarHBondContact O-N 3.13Å; G44-Q107 PolarHBondContact O-NE2 3.35Å
45L94.8Very high94.1Very high8 Ų829.9 Ų29.94%0.04217%0.171CC..  trans-85.2123.8-179.5177.771.7000111.2C40 I43 E47 T48 F51 F92 T110C40-L45 HydrophobicContact CB-CB 4.47Å; C40-L45 PolarHBondContact O-N 3.16Å; I43-L45 VanDerWaalsContact C-N 3.31Å; I43-L45 HydrophobicContact CD1-CB 3.92Å; I43-L45 HydrophobicContact CD1-CD2 4.2Å; I43-L45 HydrophobicContact CG1-CB 3.69Å; I43-L45 PolarHBondContact O-N 3.45Å; L45-E47 HydrophobicContact CD1-CB 4.19Å; L45-T48 HydrophobicContact CG-CG2 4.46Å; L45-F51 HydrophobicContact CD1-CE2 3.96Å; L45-F51 HydrophobicContact CD2-CD2 3.51Å; L45-F51 HydrophobicContact CD2-CE2 3.69Å; L45-F51 HydrophobicContact CD2-CG 4.14Å; L45-F51 HydrophobicContact CD2-CZ 4.46Å; L45-F51 HydrophobicContact CG-CE2 4.46Å; L45-F92 HydrophobicContact CD2-CE1 4.37Å; L45-F92 HydrophobicContact CD2-CZ 3.74Å; L45-T110 HydrophobicContact CD1-CG2 4.29Å; L45-T110 VanDerWaalsContact CD1-OG1 3.25Å; L45-T110 WeakPolarHBondContact CD1-OG1 3.36Å
46R94.9Very high93Very high75 Ų7532.2 Ų32.228%0.28318%0.18SC..  trans-104-29.4172.5-59.9-176.361.3-177.6-1112.6T48 E537 M541 Q544R46-T48 PolarHBondContact O-N 3.35Å; R46-E537 IonicContact CZ-OE1 2.74Å; R46-E537 IonicContact NE-OE1 3.41Å; R46-E537 IonicContact NH2-OE1 3.04Å; R46-E537 PolarHBondContact NH2-OE1 2.97Å; R46-M541 HydrophobicContact CB-CG 4.4Å; R46-M541 HydrophobicContact CB-SD 3.39Å; R46-M541 WeakPolarHBondContact CB-SD 3.37Å; R46-M541 HydrophobicContact CG-SD 4.39Å; R46-Q544 VanDerWaalsContact NH1-OE1 3.08Å
47E95.7Very high91.4Very high0 Ų033.6 Ų33.60%019%0.191CC..  trans-76.450.2176.3-62.8172.394.100112.2L45 W49 Y50 E104 I106 Q107 T110 M541L45-E47 HydrophobicContact CD1-CB 4.19Å; E47-W49 HydrophobicContact CB-CH2 4.17Å; E47-W49 HydrophobicContact CB-CZ2 4Å; E47-W49 HydrophobicContact CG-CH2 3.9Å; E47-W49 HydrophobicContact CG-CZ2 3.89Å; E47-W49 PolarHBondContact O-N 2.93Å; E47-Y50 HydrophobicContact CB-CD2 4.22Å; E47-Y50 HydrophobicContact CB-CE2 4.2Å; E47-E104 VanDerWaalsContact OE1-O 3.11Å; E47-I106 WeakPolarHBondContact OE1-CB 3.44Å; E47-I106 WeakPolarHBondContact OE1-CG1 3.44Å; E47-I106 PolarHBondContact OE1-N 3.29Å; E47-I106 PolarHBondContact OE2-N 2.95Å; E47-Q107 WeakPolarHBondContact OE2-CB 3.44Å; E47-Q107 WeakPolarHBondContact OE2-CG 3.48Å; E47-Q107 PolarHBondContact OE2-N 3.11Å; E47-T110 HydrophobicContact CB-CG2 3.88Å; E47-T110 HydrophobicContact CG-CG2 4.49Å; E47-T110 WeakPolarHBondContact OE2-CB 3.48Å; E47-T110 PolarHBondContact OE2-OG1 3.43Å; E47-M541 HydrophobicContact CG-SD 4.34Å
48T95.3Very high89.7Confident46 Ų4634.3 Ų34.328%0.28219%0.191SC..G310 helixtrans-64.5-24.3-169.858.80000113.6C40 L45 R46 Y50 F51C40-T48 HydrophobicContact CB-CG2 3.72Å; L45-T48 HydrophobicContact CG-CG2 4.46Å; R46-T48 PolarHBondContact O-N 3.35Å; T48-Y50 PolarHBondContact O-N 3.48Å; T48-Y50 VanDerWaalsContact O-N 3.08Å; T48-F51 PolarHBondContact O-N 3.02Å
49W95Very high87.9Confident51 Ų5134.7 Ų34.719%0.19319%0.191CC..G310 helixtrans-67.5-8.5-17357.676000115.5E47 F96 L526 V538 M541E47-W49 HydrophobicContact CB-CH2 4.17Å; E47-W49 HydrophobicContact CB-CZ2 4Å; E47-W49 HydrophobicContact CG-CH2 3.9Å; E47-W49 HydrophobicContact CG-CZ2 3.89Å; E47-W49 PolarHBondContact O-N 2.93Å; W49-F96 WeakPolarHBondContact O-CD2 3.3Å; W49-L526 HydrophobicContact CB-CD2 4.19Å; W49-L526 HydrophobicContact CG-CD2 4.04Å; W49-V538 HydrophobicContact CH2-CG2 4.12Å; W49-M541 HydrophobicContact CH2-CE 3.67Å; W49-M541 HydrophobicContact CH2-SD 4.43Å; W49-M541 HydrophobicContact CZ3-CE 3.93Å
50Y96.2Very high85.7Confident6 Ų641.4 Ų41.42%0.02423%0.234CC..G310 helixtrans-87.2-14.7172-60.6-60.1000114E47 T48 K95 F96 E104 L105 T110 F114E47-Y50 HydrophobicContact CB-CD2 4.22Å; E47-Y50 HydrophobicContact CB-CE2 4.2Å; T48-Y50 PolarHBondContact O-N 3.48Å; T48-Y50 VanDerWaalsContact O-N 3.08Å; Y50-K95 WeakPolarHBondContact O-CA 3.48Å; Y50-K95 PolarHBondContact O-N 3.23Å; Y50-F96 PolarHBondContact O-N 3.01Å; Y50-E104 PolarHBondContact OH-O 2.86Å; Y50-E104 PolarHBondContact OH-OE2 3.23Å; Y50-L105 HydrophobicContact CD2-CD2 4.38Å; Y50-L105 HydrophobicContact CE2-CD2 3.91Å; Y50-T110 HydrophobicContact CD2-CG2 4.1Å; Y50-T110 HydrophobicContact CE2-CG2 4.38Å; Y50-F114 HydrophobicContact CD1-CE2 4.4Å; Y50-F114 HydrophobicContact CD1-CZ 4.07Å; Y50-F114 AromaticContact CD2-CE2 3.79Å; Y50-F114 HydrophobicContact CD2-CE2 3.79Å; Y50-F114 HydrophobicContact CD2-CZ 4.28Å; Y50-F114 AromaticContact CG-CE2 3.73Å; Y50-F114 HydrophobicContact CG-CE2 3.73Å; Y50-F114 AromaticContact CG-CZ 3.77Å; Y50-F114 HydrophobicContact CG-CZ 3.77Å
51F95.7Very high83.7Confident12 Ų1246.2 Ų46.25%0.05326%0.26CS..EExtended strand (participates in β ladder)trans-114.7166.7-163.9-60.7-89.3000113.3F36 L45 T48 F92 H93 T94 T110 L113 F114F36-F51 HydrophobicContact CE2-CB 4.23Å; F36-F51 HydrophobicContact CZ-CB 4.33Å; L45-F51 HydrophobicContact CD1-CE2 3.96Å; L45-F51 HydrophobicContact CD2-CD2 3.51Å; L45-F51 HydrophobicContact CD2-CE2 3.69Å; L45-F51 HydrophobicContact CD2-CG 4.14Å; L45-F51 HydrophobicContact CD2-CZ 4.46Å; L45-F51 HydrophobicContact CG-CE2 4.46Å; T48-F51 PolarHBondContact O-N 3.02Å; F51-F92 HydrophobicContact CB-CE1 4Å; F51-F92 HydrophobicContact CB-CE2 3.9Å; F51-F92 HydrophobicContact CB-CZ 3.45Å; F51-F92 VanDerWaalsContact CB-CZ 3.45Å; F51-F92 HydrophobicContact CD1-CD1 4.23Å; F51-F92 AromaticContact CD1-CE1 3.42Å; F51-F92 HydrophobicContact CD1-CE1 3.42Å; F51-F92 VanDerWaalsContact CD1-CE1 3.42Å; F51-F92 AromaticContact CD1-CZ 3.77Å; F51-F92 HydrophobicContact CD1-CZ 3.77Å; F51-F92 HydrophobicContact CD2-CZ 4.3Å; F51-F92 HydrophobicContact CE1-CE1 4.03Å; F51-F92 AromaticContact CG-CE1 3.76Å; F51-F92 HydrophobicContact CG-CE1 3.76Å; F51-F92 HydrophobicContact CG-CE2 4.49Å; F51-F92 AromaticContact CG-CZ 3.58Å; F51-F92 HydrophobicContact CG-CZ 3.58Å; F51-H93 WeakPolarHBondContact CA-O 3.29Å; F51-T94 HydrophobicContact CD1-CG2 4.11Å; F51-T94 HydrophobicContact CE1-CG2 3.65Å; F51-T94 HydrophobicContact CZ-CG2 4.4Å; F51-T110 HydrophobicContact CE2-CG2 4.08Å; F51-T110 HydrophobicContact CZ-CG2 4.27Å; F51-L113 HydrophobicContact CE1-CB 3.83Å; F51-L113 HydrophobicContact CE1-CD1 4.23Å; F51-L113 HydrophobicContact CZ-CB 3.92Å; F51-L113 HydrophobicContact CZ-CD1 4.12Å; F51-F114 HydrophobicContact CE2-CE2 4.41Å; F51-F114 HydrophobicContact CZ-CD2 4.14Å; F51-F114 HydrophobicContact CZ-CE2 4.05Å
52G93.7Very high81.6Confident8 Ų844.5 Ų44.58%0.08226%0.257CS..EExtended strand (participates in β ladder)trans-159.1169.3170.700000112.1H93G52-H93 PolarHBondContact N-O 3.18Å; G52-H93 PolarHBondContact O-N 2.87Å
53L93.1Very high79.4Confident1 Ų148.1 Ų48.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-97.8127.7170.8-68.8164.5000109.2V15 L35 F36 W69 L70 F90 F91 F92V15-L53 HydrophobicContact CG1-CD2 3.47Å; V15-L53 VanDerWaalsContact CG1-CD2 3.47Å; V15-L53 HydrophobicContact CG2-CD2 4.39Å; L35-L53 HydrophobicContact CB-CD1 4.49Å; L35-L53 HydrophobicContact CD2-CD1 3.83Å; L35-L53 HydrophobicContact CG-CD1 3.75Å; F36-L53 HydrophobicContact CB-CD1 4.12Å; F36-L53 HydrophobicContact CD2-CD1 4.3Å; F36-L53 HydrophobicContact CD2-CG 4.2Å; L53-W69 WeakPolarHBondContact O-CA 3.3Å; L53-L70 HydrophobicContact CB-CB 4.01Å; L53-L70 HydrophobicContact CB-CD2 4.12Å; L53-L70 HydrophobicContact CD1-CD2 3.89Å; L53-L70 WeakPolarHBondContact O-CB 3.45Å; L53-L70 PolarHBondContact O-N 2.89Å; L53-F90 HydrophobicContact CB-CB 4.47Å; L53-F90 HydrophobicContact CD2-CB 4.14Å; L53-F91 CarbonylContact C-O 3.55Å; L53-F91 WeakPolarHBondContact CA-O 3.43Å; L53-F92 HydrophobicContact CD2-CB 4.11Å; L53-F92 HydrophobicContact CD2-CD2 4.05Å
54Q88.5Confident77.4Confident19 Ų1951.5 Ų51.59%0.08928%0.278CS..EExtended strand (participates in β ladder)trans-103.6154.1171.6-65.8-177.2-22.700111H68 W69 F90 F91 H93Q54-H68 CarbonylContact C-O 3.52Å; Q54-H68 WeakPolarHBondContact CA-O 3.19Å; Q54-W69 HydrophobicContact CG-CD2 3.85Å; Q54-W69 HydrophobicContact CG-CE3 3.45Å; Q54-W69 VanDerWaalsContact CG-CE3 3.45Å; Q54-W69 HydrophobicContact CG-CH2 3.77Å; Q54-W69 HydrophobicContact CG-CZ2 4.14Å; Q54-W69 HydrophobicContact CG-CZ3 3.42Å; Q54-W69 VanDerWaalsContact CG-CZ3 3.42Å; Q54-W69 VanDerWaalsContact NE2-CH2 3.29Å; Q54-F90 CarbonylContact O-C 3.45Å; Q54-F90 VanDerWaalsContact O-CA 3.3Å; Q54-F90 WeakPolarHBondContact O-CA 3.46Å; Q54-F91 PolarHBondContact N-O 2.9Å; Q54-F91 PolarHBondContact O-N 3.01Å; Q54-H93 PolarHBondContact OE1-ND1 2.94Å
55F84.6Confident75.6Confident18 Ų1853.6 Ų53.68%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-139.6159.8166.261.2-77.4000111.1H68 L70 Q79 K80 F90F55-H68 HydrophobicContact CD1-CB 4.39Å; F55-H68 WeakPolarHBondContact CD1-O 3.3Å; F55-H68 HydrophobicContact CD2-CB 4.5Å; F55-H68 HydrophobicContact CE1-CB 4.02Å; F55-H68 WeakPolarHBondContact CE1-O 3.33Å; F55-H68 HydrophobicContact CE2-CB 4.16Å; F55-H68 HydrophobicContact CZ-CB 3.9Å; F55-H68 PolarHBondContact N-O 2.86Å; F55-H68 PolarHBondContact O-N 3.4Å; F55-L70 HydrophobicContact CD1-CB 4.42Å; F55-L70 HydrophobicContact CE1-CB 4.4Å; F55-L70 HydrophobicContact CE1-CD1 4.34Å; F55-Q79 HydrophobicContact CZ-CB 4.46Å; F55-K80 HydrophobicContact CD2-CD 4.12Å; F55-K80 HydrophobicContact CD2-CG 4.44Å; F55-F90 HydrophobicContact CB-CD1 3.82Å; F55-F90 HydrophobicContact CB-CE1 3.96Å; F55-F90 HydrophobicContact CD1-CD1 4.25Å; F55-F90 HydrophobicContact CD1-CE1 4.01Å; F55-F90 HydrophobicContact CG-CD1 4.37Å; F55-F90 HydrophobicContact CG-CE1 4.13Å
56Y71Confident73.8Confident48 Ų4856 Ų5619%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-76.1142.6171-64.8-85.7000111.1M64 Q65 L66 F91Y56-M64 HydrophobicContact CD1-CB 4.36Å; Y56-M64 HydrophobicContact CD1-CE 4Å; Y56-M64 HydrophobicContact CD2-CE 4.03Å; Y56-M64 HydrophobicContact CG-CE 3.65Å; Y56-Q65 WeakPolarHBondContact CA-O 3.37Å; Y56-L66 HydrophobicContact CD1-CB 3.89Å; Y56-L66 HydrophobicContact CD1-CD1 4.07Å; Y56-L66 HydrophobicContact CD2-CD1 4.48Å; Y56-L66 HydrophobicContact CE1-CB 3.69Å; Y56-L66 HydrophobicContact CE1-CD1 3.82Å; Y56-L66 HydrophobicContact CE1-CG 4.22Å; Y56-L66 HydrophobicContact CE2-CD1 4.26Å; Y56-L66 HydrophobicContact CG-CD1 4.38Å; Y56-F91 AromaticContact CD2-CE2 3.97Å; Y56-F91 HydrophobicContact CD2-CE2 3.97Å; Y56-F91 HydrophobicContact CE2-CD2 4.3Å; Y56-F91 AromaticContact CE2-CE2 3.4Å; Y56-F91 HydrophobicContact CE2-CE2 3.4Å; Y56-F91 AromaticContact CE2-CZ 3.81Å; Y56-F91 HydrophobicContact CE2-CZ 3.81Å
57S63.3Low72.2Confident42 Ų4255.3 Ų55.329%0.29430%0.297SS..EExtended strand (participates in β ladder)trans-113.1147.5162-171.40000110Q65 H68S57-Q65 PolarHBondContact N-O 2.8Å; S57-Q65 PolarHBondContact O-N 3Å; S57-H68 WeakPolarHBondContact CB-CD2 3.26Å
58F59.4Low71.2Confident82 Ų8258.4 Ų58.436%0.3631%0.311SS..EExtended strand (participates in β ladder)trans-88.9130170.9-60.1-83.6000108.5M64F58-M64 HydrophobicContact CD1-CG 3.53Å; F58-M64 HydrophobicContact CD1-SD 4.32Å; F58-M64 HydrophobicContact CE1-CE 4.01Å; F58-M64 HydrophobicContact CE1-CG 3.4Å; F58-M64 HydrophobicContact CE1-SD 3.56Å; F58-M64 VanDerWaalsContact CE1-SD 3.56Å; F58-M64 HydrophobicContact CZ-CE 4.09Å; F58-M64 HydrophobicContact CZ-CG 4.36Å; F58-M64 HydrophobicContact CZ-SD 4.17Å
59F57.3Low70.8Confident62 Ų6258.1 Ų58.127%0.27231%0.305SS..  trans-87.4157.3168.7-84.8-106000110.7N61 G62 R63 Q65F59-N61 WeakPolarHBondContact CB-OD1 3.48Å; F59-N61 PolarHBondContact O-N 3.44Å; F59-G62 PolarHBondContact O-N 3.12Å; F59-R63 PolarHBondContact N-O 3.35Å; F59-Q65 HydrophobicContact CD2-CB 3.89Å; F59-Q65 HydrophobicContact CE2-CB 3.58Å; F59-Q65 HydrophobicContact CE2-CG 4.39Å
60P50Low70.6Confident141 Ų14156.2 Ų56.292%0.91630%0.298SS*.THydrogen-bonded Turntrans-57.8-18.3177.3-26.335.5000114.9G62P60-G62 VanDerWaalsContact C-N 3.27Å; P60-G62 PolarHBondContact O-N 2.99Å
61N53.3Low70.3Confident104 Ų10461.3 Ų61.356%0.55632%0.32SS*.THydrogen-bonded Turntrans-8715.6175666.8000113.7F59 R63F59-N61 WeakPolarHBondContact CB-OD1 3.48Å; F59-N61 PolarHBondContact O-N 3.44Å; N61-R63 PolarHBondContact O-N 3.33Å; N61-R63 VanDerWaalsContact O-N 3.11Å; N61-R63 WeakPolarHBondContact OD1-CB 3.47Å; N61-R63 PolarHBondContact OD1-N 2.83Å; N61-R63 VanDerWaalsContact OD1-N 3.13Å
62G50.5Low70.1Confident59 Ų5963.7 Ų63.761%0.60833%0.333SS*.SBendtrans74.6-9179.600000115.6F59 P60F59-G62 PolarHBondContact O-N 3.12Å; P60-G62 VanDerWaalsContact C-N 3.27Å; P60-G62 PolarHBondContact O-N 2.99Å
63R49.8Very low69.9Low154 Ų15468.9 Ų68.958%0.58136%0.359SS*.  trans-73.6130.7179.6-61.5-172178.8-153.8-0.7110.7F59 N61 M130F59-R63 PolarHBondContact N-O 3.35Å; N61-R63 PolarHBondContact O-N 3.33Å; N61-R63 VanDerWaalsContact O-N 3.11Å; N61-R63 WeakPolarHBondContact OD1-CB 3.47Å; N61-R63 PolarHBondContact OD1-N 2.83Å; N61-R63 VanDerWaalsContact OD1-N 3.13Å; R63-M130 PolarHBondContact NH1-O 3.45Å
64M50.9Low69.8Low105 Ų10573.7 Ų73.752%0.51738%0.38SS..EExtended strand (participates in β ladder)trans-81114.5166.9-70.7-175.867.300109.3Y56 F58Y56-M64 HydrophobicContact CD1-CB 4.36Å; Y56-M64 HydrophobicContact CD1-CE 4Å; Y56-M64 HydrophobicContact CD2-CE 4.03Å; Y56-M64 HydrophobicContact CG-CE 3.65Å; F58-M64 HydrophobicContact CD1-CG 3.53Å; F58-M64 HydrophobicContact CD1-SD 4.32Å; F58-M64 HydrophobicContact CE1-CE 4.01Å; F58-M64 HydrophobicContact CE1-CG 3.4Å; F58-M64 HydrophobicContact CE1-SD 3.56Å; F58-M64 VanDerWaalsContact CE1-SD 3.56Å; F58-M64 HydrophobicContact CZ-CE 4.09Å; F58-M64 HydrophobicContact CZ-CG 4.36Å; F58-M64 HydrophobicContact CZ-SD 4.17Å
65Q55Low69.9Low85 Ų8578.3 Ų78.340%0.39740%0.4SS..EExtended strand (participates in β ladder)trans-97126.3168.5-149.3-171.211.900109.7Y56 S57 F59Y56-Q65 WeakPolarHBondContact CA-O 3.37Å; S57-Q65 PolarHBondContact N-O 2.8Å; S57-Q65 PolarHBondContact O-N 3Å; F59-Q65 HydrophobicContact CD2-CB 3.89Å; F59-Q65 HydrophobicContact CE2-CB 3.58Å; F59-Q65 HydrophobicContact CE2-CG 4.39Å
66L56.4Low70Confident57 Ų5777.7 Ų77.730%0.29840%0.397SS..EExtended strand (participates in β ladder)trans-68.9162.2163-174.158.2000109.6Y56Y56-L66 HydrophobicContact CD1-CB 3.89Å; Y56-L66 HydrophobicContact CD1-CD1 4.07Å; Y56-L66 HydrophobicContact CD2-CD1 4.48Å; Y56-L66 HydrophobicContact CE1-CB 3.69Å; Y56-L66 HydrophobicContact CE1-CD1 3.82Å; Y56-L66 HydrophobicContact CE1-CG 4.22Å; Y56-L66 HydrophobicContact CE2-CD1 4.26Å; Y56-L66 HydrophobicContact CG-CD1 4.38Å
67S62Low70.7Confident62 Ų6277.2 Ų77.243%0.43440%0.4SS..EExtended strand (participates in β ladder)trans10315.3164.7-41.60000118.4W69S67-W69 PolarHBondContact O-N 3.45Å
68H73.8Confident71.6Confident65 Ų6579.1 Ų79.130%0.30141%0.412SS..EExtended strand (participates in β ladder)trans-79.2113.4163.7-75.3-75.6000110.7Q54 F55 S57Q54-H68 CarbonylContact C-O 3.52Å; Q54-H68 WeakPolarHBondContact CA-O 3.19Å; F55-H68 HydrophobicContact CD1-CB 4.39Å; F55-H68 WeakPolarHBondContact CD1-O 3.3Å; F55-H68 HydrophobicContact CD2-CB 4.5Å; F55-H68 HydrophobicContact CE1-CB 4.02Å; F55-H68 WeakPolarHBondContact CE1-O 3.33Å; F55-H68 HydrophobicContact CE2-CB 4.16Å; F55-H68 HydrophobicContact CZ-CB 3.9Å; F55-H68 PolarHBondContact N-O 2.86Å; F55-H68 PolarHBondContact O-N 3.4Å; S57-H68 WeakPolarHBondContact CB-CD2 3.26Å
69W87.6Confident72.7Confident39 Ų3976.8 Ų76.815%0.14840%0.403CS..EExtended strand (participates in β ladder)trans-71.6129.5172.7-63.9103.7000111L53 Q54 S67 K71 H93 K95L53-W69 WeakPolarHBondContact O-CA 3.3Å; Q54-W69 HydrophobicContact CG-CD2 3.85Å; Q54-W69 HydrophobicContact CG-CE3 3.45Å; Q54-W69 VanDerWaalsContact CG-CE3 3.45Å; Q54-W69 HydrophobicContact CG-CH2 3.77Å; Q54-W69 HydrophobicContact CG-CZ2 4.14Å; Q54-W69 HydrophobicContact CG-CZ3 3.42Å; Q54-W69 VanDerWaalsContact CG-CZ3 3.42Å; Q54-W69 VanDerWaalsContact NE2-CH2 3.29Å; S67-W69 PolarHBondContact O-N 3.45Å; W69-K71 PolarHBondContact O-N 2.83Å; W69-H93 HydrophobicContact CH2-CB 4.16Å; W69-H93 HydrophobicContact CZ3-CB 4.41Å; W69-K95 HydrophobicContact CD2-CD 3.68Å; W69-K95 HydrophobicContact CD2-CG 4.06Å; W69-K95 HydrophobicContact CE3-CB 4.32Å; W69-K95 HydrophobicContact CE3-CD 3.91Å; W69-K95 HydrophobicContact CE3-CG 4.27Å; W69-K95 HydrophobicContact CG-CD 4.11Å; W69-K95 HydrophobicContact CH2-CB 3.46Å; W69-K95 VanDerWaalsContact CH2-CB 3.46Å; W69-K95 HydrophobicContact CH2-CD 4.39Å; W69-K95 HydrophobicContact CH2-CG 3.84Å; W69-K95 HydrophobicContact CZ2-CB 3.74Å; W69-K95 HydrophobicContact CZ2-CD 4.17Å; W69-K95 HydrophobicContact CZ2-CG 3.58Å; W69-K95 HydrophobicContact CZ3-CB 3.78Å; W69-K95 HydrophobicContact CZ3-CD 4.25Å; W69-K95 HydrophobicContact CZ3-CG 4.17Å
70L90.6Very high73.3Confident11 Ų1175.1 Ų75.16%0.05840%0.395CS..PPolyproline II helixtrans-62.7123.1172.9-174.568.3000110.2L35 L53 F55 L72 F90L35-L70 HydrophobicContact CD2-CD2 4.13Å; L53-L70 HydrophobicContact CB-CB 4.01Å; L53-L70 HydrophobicContact CB-CD2 4.12Å; L53-L70 HydrophobicContact CD1-CD2 3.89Å; L53-L70 WeakPolarHBondContact O-CB 3.45Å; L53-L70 PolarHBondContact O-N 2.89Å; F55-L70 HydrophobicContact CD1-CB 4.42Å; F55-L70 HydrophobicContact CE1-CB 4.4Å; F55-L70 HydrophobicContact CE1-CD1 4.34Å; L70-L72 PolarHBondContact O-N 3.07Å; L70-F90 HydrophobicContact CD1-CE1 3.99Å; L70-F90 HydrophobicContact CD2-CD1 4.45Å; L70-F90 HydrophobicContact CD2-CE1 4.22Å
71K90.4Very high73.8Confident113 Ų11372.4 Ų72.449%0.49138%0.378SS..PPolyproline II helixtrans-78.7117.6177.8-56.7-176.7179.6177.60108.7W69 D73 K74 Q79W69-K71 PolarHBondContact O-N 2.83Å; K71-D73 VanDerWaalsContact C-N 3.3Å; K71-D73 WeakPolarHBondContact CB-OD1 3.45Å; K71-D73 PolarHBondContact O-N 2.85Å; K71-K74 HydrophobicContact CB-CG 4.2Å; K71-K74 PolarHBondContact O-N 3.02Å; K71-Q79 PolarHBondContact O-NE2 3.11Å
72L91.6Very high74Confident62 Ų6274.4 Ų74.433%0.32538%0.384SS..THydrogen-bonded Turntrans-70.1-29.9-171.3-56.5-175.8000112.2K33 F36 L70 K74K33-L72 HydrophobicContact CB-CB 4.02Å; K33-L72 WeakPolarHBondContact CB-O 3.33Å; K33-L72 PolarHBondContact N-O 3.46Å; F36-L72 HydrophobicContact CB-CD2 3.75Å; F36-L72 HydrophobicContact CD1-CD1 4.09Å; F36-L72 HydrophobicContact CD1-CD2 4.47Å; F36-L72 HydrophobicContact CE1-CD1 4.45Å; F36-L72 HydrophobicContact CG-CD1 4.44Å; F36-L72 HydrophobicContact CG-CD2 4.03Å; L70-L72 PolarHBondContact O-N 3.07Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.18Å
73D89.5Confident74.5Confident117 Ų11773.1 Ų73.163%0.62636%0.363SS*.THydrogen-bonded Turntrans-66.4-24.8175.655.9-62.2000114K71K71-D73 VanDerWaalsContact C-N 3.3Å; K71-D73 WeakPolarHBondContact CB-OD1 3.45Å; K71-D73 PolarHBondContact O-N 2.85Å
74K90.9Very high74.9Confident103 Ų10369.8 Ų69.845%0.44836%0.356SS..SBendtrans-103.7158.3-172.6-49.8-152.8176.8-145.30112.5T31 G32 K71 L72 Q79T31-K74 CarbonylContact C-O 3.57Å; T31-K74 WeakPolarHBondContact CA-O 3.18Å; G32-K74 PolarHBondContact N-O 2.9Å; K71-K74 HydrophobicContact CB-CG 4.2Å; K71-K74 PolarHBondContact O-N 3.02Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.18Å; K74-Q79 HydrophobicContact CB-CG 4.15Å; K74-Q79 PolarHBondContact O-NE2 3.27Å
75K90Very high75Confident116 Ų11669.6 Ų69.650%0.50437%0.365SS..BIsolated β-bridgetrans-64.3147.1171.5-65.5174.9-179.3166.10109.9S30 S78 Q79S30-K75 WeakPolarHBondContact O-CA 3.43Å; K75-S78 WeakPolarHBondContact CB-OG 3.37Å; K75-S78 PolarHBondContact N-OG 2.7Å; K75-S78 PolarHBondContact O-N 2.93Å; K75-S78 PolarHBondContact O-OG 2.88Å; K75-Q79 PolarHBondContact O-NE2 3.41Å
76I87.2Confident75.4Confident4 Ų471.4 Ų71.42%0.02137%0.372CS..SBendtrans-64-47.3-178.8-59.6167.5000109.7I13 S30 L35 S78 Q79 K80 L88 F90I13-I76 HydrophobicContact CD1-CD1 3.93Å; S30-I76 PolarHBondContact O-N 2.91Å; S30-I76 VanDerWaalsContact O-N 3.13Å; L35-I76 HydrophobicContact CB-CD1 3.86Å; L35-I76 HydrophobicContact CD2-CD1 4.02Å; I76-S78 VanDerWaalsContact C-N 3.32Å; I76-S78 PolarHBondContact O-N 3.34Å; I76-Q79 PolarHBondContact O-N 2.96Å; I76-K80 PolarHBondContact O-N 2.74Å; I76-L88 HydrophobicContact CG2-CD1 3.93Å; I76-F90 HydrophobicContact CG2-CE2 4.25Å; I76-F90 HydrophobicContact CG2-CZ 3.75Å
77V84.5Confident76.1Confident39 Ų3971.2 Ų71.224%0.23638%0.375CS..G310 helixtrans-56.3-42.6178.3-178.60000112.4L11 P28 Q79 K80 I84L11-V77 HydrophobicContact CD1-CG2 3.68Å; P28-V77 HydrophobicContact CB-CG2 3.97Å; P28-V77 WeakPolarHBondContact O-CG2 3.5Å; V77-Q79 PolarHBondContact O-N 3.25Å; V77-K80 CarbonylContact O-C 3.58Å; V77-K80 PolarHBondContact O-N 3.04Å; V77-I84 HydrophobicContact CG1-CD1 3.61Å; V77-I84 HydrophobicContact CG1-CG1 4.14Å
78S83.5Confident77Confident81 Ų8168.6 Ų68.657%0.56636%0.356SS*.G310 helixtrans-68.9-3.4179.857.70000115K75 I76K75-S78 WeakPolarHBondContact CB-OG 3.37Å; K75-S78 PolarHBondContact N-OG 2.7Å; K75-S78 PolarHBondContact O-N 2.93Å; K75-S78 PolarHBondContact O-OG 2.88Å; I76-S78 VanDerWaalsContact C-N 3.32Å; I76-S78 PolarHBondContact O-N 3.34Å
79Q81.7Confident77.6Confident34 Ų3466.3 Ų66.316%0.15935%0.347CS..G310 helixtrans-112-14.9177.3-64.1178.980.200112.9F55 K71 K74 K75 I76 V77F55-Q79 HydrophobicContact CZ-CB 4.46Å; K71-Q79 PolarHBondContact O-NE2 3.11Å; K74-Q79 HydrophobicContact CB-CG 4.15Å; K74-Q79 PolarHBondContact O-NE2 3.27Å; K75-Q79 PolarHBondContact O-NE2 3.41Å; I76-Q79 PolarHBondContact O-N 2.96Å; V77-Q79 PolarHBondContact O-N 3.25Å
80K71.4Confident77.7Confident26 Ų2664.6 Ų64.611%0.11334%0.341CS..  trans-145.368.5177.5-147.7-176.1-164.8-155.40111F55 I76 V77 E82 D83F55-K80 HydrophobicContact CD2-CD 4.12Å; F55-K80 HydrophobicContact CD2-CG 4.44Å; I76-K80 PolarHBondContact O-N 2.74Å; V77-K80 CarbonylContact O-C 3.58Å; V77-K80 PolarHBondContact O-N 3.04Å; K80-E82 VanDerWaalsContact C-N 3.28Å; K80-E82 PolarHBondContact O-N 3.13Å; K80-D83 HydrophobicContact CD-CB 4.2Å; K80-D83 WeakPolarHBondContact CE-OD2 3.4Å; K80-D83 HydrophobicContact CG-CB 4.45Å; K80-D83 IonicContact NZ-OD2 3.55Å; K80-D83 PolarHBondContact NZ-OD2 2.86Å
81P58.7Low77.7Confident85 Ų8564.6 Ų64.655%0.55234%0.34SS*.G310 helixtrans-67.5-25.3-172.727.1-35000113.8I84P81-I84 VanDerWaalsContact O-CD1 3.26Å; P81-I84 WeakPolarHBondContact O-CD1 2.94Å; P81-I84 WeakPolarHBondContact O-CG1 3.25Å
82E59.2Low77.8Confident146 Ų14659.6 Ų59.668%0.68232%0.319SS*.G310 helixtrans-74.5-29.2-172.5-67.8157.6-163.300114.1K80K80-E82 VanDerWaalsContact C-N 3.28Å; K80-E82 PolarHBondContact O-N 3.13Å
83D59.9Low77.7Confident31 Ų3159.5 Ų59.517%0.16632%0.316CS..G310 helixtrans-99.77.1-166.3-97.6-29000114.8K80 S85 K86 L88K80-D83 HydrophobicContact CD-CB 4.2Å; K80-D83 WeakPolarHBondContact CE-OD2 3.4Å; K80-D83 HydrophobicContact CG-CB 4.45Å; K80-D83 IonicContact NZ-OD2 3.55Å; K80-D83 PolarHBondContact NZ-OD2 2.86Å; D83-S85 PolarHBondContact O-N 3.32Å; D83-K86 PolarHBondContact O-N 3.06Å; D83-L88 HydrophobicContact CB-CD2 3.65Å
84I58.4Low77.9Confident85 Ų8554.7 Ų54.744%0.43629%0.291SS..THydrogen-bonded Turntrans-56-22.5-174.5-56.7166.4000113.1L11 V77 P81 K86L11-I84 HydrophobicContact CD2-CG2 4.14Å; V77-I84 HydrophobicContact CG1-CD1 3.61Å; V77-I84 HydrophobicContact CG1-CG1 4.14Å; P81-I84 VanDerWaalsContact O-CD1 3.26Å; P81-I84 WeakPolarHBondContact O-CD1 2.94Å; P81-I84 WeakPolarHBondContact O-CG1 3.25Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.46Å
85S52.1Low77.9Confident101 Ų10151 Ų5171%0.70628%0.275SS*.THydrogen-bonded Turntrans-76.5-9.7177.160.50000115.1D83D83-S85 PolarHBondContact O-N 3.32Å
86K64Low78.2Confident123 Ų12346.5 Ų46.554%0.53526%0.256SS..SBendtrans-131.8168.6-171.7-68167.9-168.81580111.4D83 I84 L88D83-K86 PolarHBondContact O-N 3.06Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.46Å; K86-L88 PolarHBondContact O-N 3.48Å
87S71.1Confident78.6Confident53 Ų5347.6 Ų47.637%0.37126%0.26SS..  trans-67.9122.3174.5-58.80000110.4K12 C89K12-S87 VanDerWaalsContact O-CA 3.28Å; K12-S87 WeakPolarHBondContact O-CA 3.38Å; S87-C89 PolarHBondContact O-N 3.02Å
88L82.2Confident79.1Confident6 Ų646 Ų463%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-77.6111.4-177.8-57.5-179.4000109.8L11 K12 I13 R14 I76 D83 K86 F90L11-L88 HydrophobicContact CD1-CD1 4.13Å; K12-L88 PolarHBondContact O-N 2.93Å; I13-L88 WeakPolarHBondContact CA-O 3.35Å; I13-L88 HydrophobicContact CG1-CB 4.31Å; I13-L88 HydrophobicContact CG1-CD1 4.45Å; I13-L88 WeakPolarHBondContact CG2-O 3.42Å; R14-L88 PolarHBondContact N-O 3.46Å; I76-L88 HydrophobicContact CG2-CD1 3.93Å; D83-L88 HydrophobicContact CB-CD2 3.65Å; K86-L88 PolarHBondContact O-N 3.48Å; L88-F90 HydrophobicContact CB-CD2 4.49Å; L88-F90 HydrophobicContact CB-CE2 3.71Å; L88-F90 HydrophobicContact CB-CZ 4.31Å; L88-F90 HydrophobicContact CD1-CE2 4.48Å
89C85.8Confident79.5Confident17 Ų1744.9 Ų44.912%0.11524%0.236CC..EExtended strand (participates in β ladder)trans-89.7129.7175.9-590000111.7R14 S87R14-C89 CarbonylContact O-C 3.59Å; R14-C89 WeakPolarHBondContact O-CA 3.41Å; S87-C89 PolarHBondContact O-N 3.02Å
90F90.1Very high80.1Confident3 Ų346.2 Ų46.21%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-125.8156.7171.5-61.4-86.2000110.3I13 R14 V15 T16 L35 L53 Q54 F55 L70 I76 L88I13-F90 HydrophobicContact CG2-CD2 3.63Å; I13-F90 HydrophobicContact CG2-CE2 3.78Å; R14-F90 PolarHBondContact O-N 3.39Å; V15-F90 CarbonylContact C-O 3.59Å; V15-F90 WeakPolarHBondContact CA-O 3.48Å; V15-F90 HydrophobicContact CG2-CB 4.47Å; T16-F90 PolarHBondContact N-O 3.15Å; L35-F90 HydrophobicContact CD2-CD2 3.92Å; L35-F90 HydrophobicContact CD2-CE2 3.97Å; L35-F90 HydrophobicContact CD2-CG 4.47Å; L53-F90 HydrophobicContact CB-CB 4.47Å; L53-F90 HydrophobicContact CD2-CB 4.14Å; Q54-F90 CarbonylContact O-C 3.45Å; Q54-F90 VanDerWaalsContact O-CA 3.3Å; Q54-F90 WeakPolarHBondContact O-CA 3.46Å; F55-F90 HydrophobicContact CB-CD1 3.82Å; F55-F90 HydrophobicContact CB-CE1 3.96Å; F55-F90 HydrophobicContact CD1-CD1 4.25Å; F55-F90 HydrophobicContact CD1-CE1 4.01Å; F55-F90 HydrophobicContact CG-CD1 4.37Å; F55-F90 HydrophobicContact CG-CE1 4.13Å; L70-F90 HydrophobicContact CD1-CE1 3.99Å; L70-F90 HydrophobicContact CD2-CD1 4.45Å; L70-F90 HydrophobicContact CD2-CE1 4.22Å; I76-F90 HydrophobicContact CG2-CE2 4.25Å; I76-F90 HydrophobicContact CG2-CZ 3.75Å; L88-F90 HydrophobicContact CB-CD2 4.49Å; L88-F90 HydrophobicContact CB-CE2 3.71Å; L88-F90 HydrophobicContact CB-CZ 4.31Å; L88-F90 HydrophobicContact CD1-CE2 4.48Å
91F89.4Confident81.2Confident11 Ų1145 Ų455%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-116.6129.4176.8-61.6-95.1000109.6T16 L53 Q54 Y56T16-F91 HydrophobicContact CG2-CD1 4.12Å; T16-F91 HydrophobicContact CG2-CE1 4.05Å; T16-F91 WeakPolarHBondContact O-CA 3.31Å; L53-F91 CarbonylContact C-O 3.55Å; L53-F91 WeakPolarHBondContact CA-O 3.43Å; Q54-F91 PolarHBondContact N-O 2.9Å; Q54-F91 PolarHBondContact O-N 3.01Å; Y56-F91 AromaticContact CD2-CE2 3.97Å; Y56-F91 HydrophobicContact CD2-CE2 3.97Å; Y56-F91 HydrophobicContact CE2-CD2 4.3Å; Y56-F91 AromaticContact CE2-CE2 3.4Å; Y56-F91 HydrophobicContact CE2-CE2 3.4Å; Y56-F91 AromaticContact CE2-CZ 3.81Å; Y56-F91 HydrophobicContact CE2-CZ 3.81Å
92F92.9Very high82.9Confident9 Ų945.1 Ų45.14%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-92.5107.1178.3-177-90.5000109.5V15 T16 L17 F36 V39 I43 L45 F51 L53 L113V15-F92 HydrophobicContact CG1-CB 3.95Å; T16-F92 PolarHBondContact O-N 3.42Å; L17-F92 HydrophobicContact CD1-CB 3.7Å; L17-F92 HydrophobicContact CD1-CG 4.27Å; L17-F92 HydrophobicContact CD2-CD1 4.28Å; L17-F92 HydrophobicContact CG-CB 3.89Å; L17-F92 HydrophobicContact CG-CD1 4.04Å; L17-F92 HydrophobicContact CG-CG 4.24Å; F36-F92 HydrophobicContact CD2-CE2 4.26Å; F36-F92 HydrophobicContact CE2-CD2 4.49Å; F36-F92 AromaticContact CE2-CE2 3.79Å; F36-F92 HydrophobicContact CE2-CE2 3.79Å; V39-F92 HydrophobicContact CG1-CD2 3.57Å; V39-F92 HydrophobicContact CG1-CE2 3.85Å; V39-F92 HydrophobicContact CG1-CG 4.15Å; I43-F92 HydrophobicContact CD1-CE1 3.94Å; I43-F92 HydrophobicContact CD1-CZ 3.96Å; L45-F92 HydrophobicContact CD2-CE1 4.37Å; L45-F92 HydrophobicContact CD2-CZ 3.74Å; F51-F92 HydrophobicContact CB-CE1 4Å; F51-F92 HydrophobicContact CB-CE2 3.9Å; F51-F92 HydrophobicContact CB-CZ 3.45Å; F51-F92 VanDerWaalsContact CB-CZ 3.45Å; F51-F92 HydrophobicContact CD1-CD1 4.23Å; F51-F92 AromaticContact CD1-CE1 3.42Å; F51-F92 HydrophobicContact CD1-CE1 3.42Å; F51-F92 VanDerWaalsContact CD1-CE1 3.42Å; F51-F92 AromaticContact CD1-CZ 3.77Å; F51-F92 HydrophobicContact CD1-CZ 3.77Å; F51-F92 HydrophobicContact CD2-CZ 4.3Å; F51-F92 HydrophobicContact CE1-CE1 4.03Å; F51-F92 AromaticContact CG-CE1 3.76Å; F51-F92 HydrophobicContact CG-CE1 3.76Å; F51-F92 HydrophobicContact CG-CE2 4.49Å; F51-F92 AromaticContact CG-CZ 3.58Å; F51-F92 HydrophobicContact CG-CZ 3.58Å; L53-F92 HydrophobicContact CD2-CB 4.11Å; L53-F92 HydrophobicContact CD2-CD2 4.05Å; F92-L113 HydrophobicContact CE1-CD1 4.29Å
93H90.3Very high84.4Confident59 Ų5943.8 Ų43.827%0.27323%0.227SC..EExtended strand (participates in β ladder)trans-127.4156.1-172.3-73.3148.1000112.4F51 G52 Q54 W69 K95F51-H93 WeakPolarHBondContact CA-O 3.29Å; G52-H93 PolarHBondContact N-O 3.18Å; G52-H93 PolarHBondContact O-N 2.87Å; Q54-H93 PolarHBondContact OE1-ND1 2.94Å; W69-H93 HydrophobicContact CH2-CB 4.16Å; W69-H93 HydrophobicContact CZ3-CB 4.41Å; H93-K95 PolarHBondContact O-N 3.4Å
94T92.4Very high86.1Confident16 Ų1643.5 Ų43.510%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-63.5122.9167.448.40000109.5F51 F114 S117F51-T94 HydrophobicContact CD1-CG2 4.11Å; F51-T94 HydrophobicContact CE1-CG2 3.65Å; F51-T94 HydrophobicContact CZ-CG2 4.4Å; T94-F114 HydrophobicContact CG2-CD1 3.8Å; T94-F114 HydrophobicContact CG2-CD2 4.43Å; T94-F114 HydrophobicContact CG2-CE1 3.76Å; T94-F114 HydrophobicContact CG2-CE2 4.41Å; T94-F114 HydrophobicContact CG2-CG 4.15Å; T94-F114 HydrophobicContact CG2-CZ 4.1Å; T94-S117 PolarHBondContact OG1-OG 2.93Å
95K92.1Very high87.9Confident26 Ų2639.7 Ų39.711%0.11321%0.205CC..  trans-102.1-31.8177.3-174.3171.2-177.5-177.30112.8Y50 W69 H93 S518 M519Y50-K95 WeakPolarHBondContact O-CA 3.48Å; Y50-K95 PolarHBondContact O-N 3.23Å; W69-K95 HydrophobicContact CD2-CD 3.68Å; W69-K95 HydrophobicContact CD2-CG 4.06Å; W69-K95 HydrophobicContact CE3-CB 4.32Å; W69-K95 HydrophobicContact CE3-CD 3.91Å; W69-K95 HydrophobicContact CE3-CG 4.27Å; W69-K95 HydrophobicContact CG-CD 4.11Å; W69-K95 HydrophobicContact CH2-CB 3.46Å; W69-K95 VanDerWaalsContact CH2-CB 3.46Å; W69-K95 HydrophobicContact CH2-CD 4.39Å; W69-K95 HydrophobicContact CH2-CG 3.84Å; W69-K95 HydrophobicContact CZ2-CB 3.74Å; W69-K95 HydrophobicContact CZ2-CD 4.17Å; W69-K95 HydrophobicContact CZ2-CG 3.58Å; W69-K95 HydrophobicContact CZ3-CB 3.78Å; W69-K95 HydrophobicContact CZ3-CD 4.25Å; W69-K95 HydrophobicContact CZ3-CG 4.17Å; H93-K95 PolarHBondContact O-N 3.4Å; K95-S518 PolarHBondContact NZ-OG 2.68Å; K95-M519 HydrophobicContact CD-SD 4.41Å; K95-M519 WeakPolarHBondContact CE-SD 3.45Å; K95-M519 HydrophobicContact CG-CE 4Å; K95-M519 HydrophobicContact CG-SD 4.11Å; K95-M519 VanDerWaalsContact O-CE 3.25Å; K95-M519 WeakPolarHBondContact O-CE 3.37Å
96F95.2Very high89.9Confident21 Ų2135.8 Ų35.89%0.09218%0.176CC..SBendtrans-135.6144.9-178.3-55.7-68.7000110.1W49 Y50 F114 M519 L526W49-F96 WeakPolarHBondContact O-CD2 3.3Å; Y50-F96 PolarHBondContact O-N 3.01Å; F96-F114 WeakPolarHBondContact O-CZ 3.4Å; F96-M519 HydrophobicContact CE1-CE 4.23Å; F96-M519 HydrophobicContact CE1-SD 4.31Å; F96-L526 HydrophobicContact CB-CD1 3.43Å; F96-L526 VanDerWaalsContact CB-CD1 3.43Å; F96-L526 HydrophobicContact CD2-CD1 4.06Å; F96-L526 HydrophobicContact CG-CD1 3.78Å
97F95Very high91.3Very high27 Ų2731.5 Ų31.512%0.11816%0.158CC..  trans-106.1152.6-176.8-72.3-100.7000111.6F114 V118 F229 G230 A273 R530F97-F114 HydrophobicContact CD1-CD1 4.34Å; F97-F114 AromaticContact CD1-CE1 3.85Å; F97-F114 HydrophobicContact CD1-CE1 3.85Å; F97-F114 HydrophobicContact CE1-CD1 4.37Å; F97-F114 HydrophobicContact CE1-CE1 4.16Å; F97-F114 HydrophobicContact CG-CE1 4.34Å; F97-V118 HydrophobicContact CE1-CG2 4.13Å; F97-F229 HydrophobicContact CD1-CD1 4.49Å; F97-F229 AromaticContact CD1-CE1 3.86Å; F97-F229 HydrophobicContact CD1-CE1 3.86Å; F97-F229 AromaticContact CD1-CZ 3.88Å; F97-F229 HydrophobicContact CD1-CZ 3.88Å; F97-F229 HydrophobicContact CE1-CZ 4.36Å; F97-G230 VanDerWaalsContact CD2-CA 3.48Å; F97-A273 WeakPolarHBondContact O-CB 3.49Å; F97-R530 PolarHBondContact O-NH2 3.23Å
98P95.4Very high92.3Very high5 Ų530.3 Ų30.33%0.03215%0.151CC..  trans-68.1157.1170.430.3-35.6000112.2V101 E104 L105P98-V101 HydrophobicContact CG-CB 4.43Å; P98-V101 HydrophobicContact CG-CG1 3.65Å; P98-E104 WeakPolarHBondContact CA-OE2 3.24Å; P98-E104 HydrophobicContact CB-CB 3.67Å; P98-E104 HydrophobicContact CB-CG 4.19Å; P98-L105 HydrophobicContact CG-CD2 4.27Å; P98-L105 HydrophobicContact CG-CG 4.44Å
99E92.9Very high92.8Very high58 Ų5832.5 Ų32.527%0.27117%0.165SC..SBendtrans-77.5-26.9161.7-75.2170.3-123.200111E104 Q224 A273 R530 R531E99-E104 WeakPolarHBondContact CA-OE1 3.5Å; E99-E104 WeakPolarHBondContact CB-OE1 3.34Å; E99-E104 PolarHBondContact N-OE1 2.85Å; E99-Q224 PolarHBondContact O-NE2 3.21Å; E99-A273 HydrophobicContact CG-CB 4.15Å; E99-R530 WeakPolarHBondContact OE1-CD 3.48Å; E99-R530 IonicContact OE1-CZ 3.54Å; E99-R530 IonicContact OE1-NE 3.97Å; E99-R530 IonicContact OE1-NH1 3.63Å; E99-R530 PolarHBondContact OE1-NH1 3.03Å; E99-R531 IonicContact OE1-CZ 3.06Å; E99-R531 IonicContact OE1-NH1 3.8Å; E99-R531 PolarHBondContact OE1-NH1 3.49Å; E99-R531 IonicContact OE1-NH2 2.79Å; E99-R531 IonicContact OE2-CZ 2.93Å; E99-R531 IonicContact OE2-NH1 3.42Å; E99-R531 PolarHBondContact OE2-NH1 2.68Å; E99-R531 IonicContact OE2-NH2 2.73Å; E99-R531 PolarHBondContact OE2-NH2 2.78Å
100D94.4Very high93.2Very high62 Ų6231.7 Ų31.733%0.33216%0.159SC..  trans-144.3114.2172.7-178.5-27.3000111.7E102 Q103 E104D100-E102 VanDerWaalsContact C-N 3.26Å; D100-E102 PolarHBondContact O-N 3.41Å; D100-E102 WeakPolarHBondContact OD1-CA 3.29Å; D100-E102 WeakPolarHBondContact OD1-CB 3.41Å; D100-E102 PolarHBondContact OD1-N 2.95Å; D100-Q103 HydrophobicContact CB-CB 4.17Å; D100-Q103 HydrophobicContact CB-CG 4.35Å; D100-Q103 PolarHBondContact O-N 3.34Å; D100-Q103 PolarHBondContact OD1-N 2.71Å; D100-Q103 VanDerWaalsContact OD2-CG 3.27Å; D100-Q103 WeakPolarHBondContact OD2-CG 3.38Å; D100-E104 PolarHBondContact N-OE1 3.29Å; D100-E104 VanDerWaalsContact O-CB 3.27Å; D100-E104 WeakPolarHBondContact O-CB 3.36Å; D100-E104 PolarHBondContact O-N 3.48Å
101V94.6Very high93.5Very high1 Ų132 Ų321%0.00616%0.16CC..Hα-helixtrans-64.4-22-178.6-63.60000114.9P98 L105 L217 L220 K221 Q224 F229P98-V101 HydrophobicContact CG-CB 4.43Å; P98-V101 HydrophobicContact CG-CG1 3.65Å; V101-L105 HydrophobicContact CB-CD1 4Å; V101-L105 HydrophobicContact CG1-CD1 4.23Å; V101-L105 WeakPolarHBondContact O-CB 3.47Å; V101-L105 WeakPolarHBondContact O-CG 3.5Å; V101-L217 HydrophobicContact CG2-CD1 4.33Å; V101-L220 HydrophobicContact CB-CB 4.29Å; V101-L220 HydrophobicContact CG1-CB 4.27Å; V101-L220 HydrophobicContact CG2-CB 4.11Å; V101-K221 HydrophobicContact CG2-CB 4.46Å; V101-K221 HydrophobicContact CG2-CG 3.6Å; V101-Q224 VanDerWaalsContact N-OE1 3.11Å; V101-F229 HydrophobicContact CG1-CZ 4.17Å
102E93.1Very high93.7Very high88 Ų8832.6 Ų32.641%0.41116%0.162SC..Hα-helixtrans-88.6-32.2-179.2-175.2161-122.600112D100 L217 K221D100-E102 VanDerWaalsContact C-N 3.26Å; D100-E102 PolarHBondContact O-N 3.41Å; D100-E102 WeakPolarHBondContact OD1-CA 3.29Å; D100-E102 WeakPolarHBondContact OD1-CB 3.41Å; D100-E102 PolarHBondContact OD1-N 2.95Å; E102-L217 HydrophobicContact CB-CD1 4.34Å; E102-L217 HydrophobicContact CG-CD2 4.33Å; E102-K221 HydrophobicContact CB-CD 4.38Å; E102-K221 IonicContact OE1-NZ 2.71Å; E102-K221 PolarHBondContact OE1-NZ 2.76Å; E102-K221 WeakPolarHBondContact OE2-CE 3.43Å; E102-K221 IonicContact OE2-NZ 2.95Å; E102-K221 PolarHBondContact OE2-NZ 2.76Å
103Q92.1Very high93.8Very high118 Ų11833.3 Ų33.355%0.55117%0.166SC*.Hα-helixtrans-89.8-27.9177.7-58.5-61.9-29.300113.5D100 R542D100-Q103 HydrophobicContact CB-CB 4.17Å; D100-Q103 HydrophobicContact CB-CG 4.35Å; D100-Q103 PolarHBondContact O-N 3.34Å; D100-Q103 PolarHBondContact OD1-N 2.71Å; D100-Q103 VanDerWaalsContact OD2-CG 3.27Å; D100-Q103 WeakPolarHBondContact OD2-CG 3.38Å; Q103-R542 PolarHBondContact O-NH1 3.4Å
104E94.4Very high94Very high24 Ų2430.5 Ų30.511%0.11215%0.153CC..Hα-helixtrans-99.8-19.6-174-77.9-178.1-11900116.2E47 Y50 P98 E99 D100 R530E47-E104 VanDerWaalsContact OE1-O 3.11Å; Y50-E104 PolarHBondContact OH-O 2.86Å; Y50-E104 PolarHBondContact OH-OE2 3.23Å; P98-E104 WeakPolarHBondContact CA-OE2 3.24Å; P98-E104 HydrophobicContact CB-CB 3.67Å; P98-E104 HydrophobicContact CB-CG 4.19Å; E99-E104 WeakPolarHBondContact CA-OE1 3.5Å; E99-E104 WeakPolarHBondContact CB-OE1 3.34Å; E99-E104 PolarHBondContact N-OE1 2.85Å; D100-E104 PolarHBondContact N-OE1 3.29Å; D100-E104 VanDerWaalsContact O-CB 3.27Å; D100-E104 WeakPolarHBondContact O-CB 3.36Å; D100-E104 PolarHBondContact O-N 3.48Å; E104-R530 IonicContact OE1-CZ 3.78Å; E104-R530 IonicContact OE1-NE 2.89Å; E104-R530 PolarHBondContact OE1-NE 2.74Å; E104-R530 IonicContact OE1-NH2 2.78Å; E104-R530 IonicContact OE2-CZ 2.71Å; E104-R530 VanDerWaalsContact OE2-CZ 3.27Å; E104-R530 IonicContact OE2-NE 3.19Å; E104-R530 PolarHBondContact OE2-NE 3.33Å; E104-R530 IonicContact OE2-NH2 3.75Å; E104-R530 PolarHBondContact OE2-NH2 2.99Å
105L96Very high94.1Very high6 Ų629.8 Ų29.83%0.03115%0.149CC..  trans-99.592-175.4-55.6-176.2000111.9Y50 P98 V101 T110 R111 F114 L220Y50-L105 HydrophobicContact CD2-CD2 4.38Å; Y50-L105 HydrophobicContact CE2-CD2 3.91Å; P98-L105 HydrophobicContact CG-CD2 4.27Å; P98-L105 HydrophobicContact CG-CG 4.44Å; V101-L105 HydrophobicContact CB-CD1 4Å; V101-L105 HydrophobicContact CG1-CD1 4.23Å; V101-L105 WeakPolarHBondContact O-CB 3.47Å; V101-L105 WeakPolarHBondContact O-CG 3.5Å; L105-T110 HydrophobicContact CD2-CG2 4.02Å; L105-R111 PolarHBondContact O-NH1 3.46Å; L105-F114 HydrophobicContact CD1-CB 4.2Å; L105-F114 HydrophobicContact CD1-CD2 4.02Å; L105-F114 HydrophobicContact CD1-CG 4.14Å; L105-F114 HydrophobicContact CD2-CD2 3.71Å; L105-F114 HydrophobicContact CD2-CE2 3.61Å; L105-F114 HydrophobicContact CD2-CZ 4.36Å; L105-L220 HydrophobicContact CD1-CD1 3.97Å
106I94.6Very high94.2Very high18 Ų1828.9 Ų28.99%0.09215%0.145CC..  trans-78-54.5-166.4-55.5166.4000111.6E47 V538 M541 R542 A545E47-I106 WeakPolarHBondContact OE1-CB 3.44Å; E47-I106 WeakPolarHBondContact OE1-CG1 3.44Å; E47-I106 PolarHBondContact OE1-N 3.29Å; E47-I106 PolarHBondContact OE2-N 2.95Å; I106-V538 HydrophobicContact CD1-CG1 3.86Å; I106-M541 HydrophobicContact CD1-CB 4.36Å; I106-M541 HydrophobicContact CG2-CB 4.18Å; I106-R542 HydrophobicContact CD1-CG 3.88Å; I106-R542 HydrophobicContact CG1-CG 4.07Å; I106-R542 HydrophobicContact CG2-CG 4.07Å; I106-A545 HydrophobicContact CG2-CB 3.65Å
107Q92.9Very high94Very high34 Ų3428.7 Ų28.716%0.15915%0.147CC..SBendtrans-82.5150.9-177.2-54.2178.9-89.400111.9G44 E47 T110 R111G44-Q107 PolarHBondContact O-NE2 3.35Å; E47-Q107 WeakPolarHBondContact OE2-CB 3.44Å; E47-Q107 WeakPolarHBondContact OE2-CG 3.48Å; E47-Q107 PolarHBondContact OE2-N 3.11Å; Q107-T110 PolarHBondContact O-N 2.95Å; Q107-R111 PolarHBondContact O-N 2.86Å
108A92.1Very high93.8Very high28 Ų2827.6 Ų27.623%0.23114%0.142CC..Hα-helixtrans-61.7-41.6171.300000112.1T110 R111 R112 D213A108-T110 PolarHBondContact O-N 2.91Å; A108-R111 PolarHBondContact O-N 3.45Å; A108-R112 PolarHBondContact O-N 3.14Å; A108-D213 WeakPolarHBondContact CB-OD1 3.39Å
109T92.9Very high93.6Very high52 Ų5228.5 Ų28.532%0.31915%0.145SC..Hα-helixtrans-55.8-48.7177.3-44.70000112I43 R111 R112 L113I43-T109 WeakPolarHBondContact O-CG2 3.41Å; T109-R111 PolarHBondContact O-N 3.45Å; T109-R112 PolarHBondContact O-N 2.85Å; T109-L113 HydrophobicContact CG2-CD1 4.05Å; T109-L113 VanDerWaalsContact O-CG 3.29Å; T109-L113 WeakPolarHBondContact O-CG 3.49Å; T109-L113 PolarHBondContact O-N 3.27Å
110T95.1Very high93.2Very high0 Ų027.1 Ų27.10%014%0.142CC..Hα-helixtrans-58.6-47178.4-45.40000111.1L45 E47 Y50 F51 L105 Q107 A108 L113 F114L45-T110 HydrophobicContact CD1-CG2 4.29Å; L45-T110 VanDerWaalsContact CD1-OG1 3.25Å; L45-T110 WeakPolarHBondContact CD1-OG1 3.36Å; E47-T110 HydrophobicContact CB-CG2 3.88Å; E47-T110 HydrophobicContact CG-CG2 4.49Å; E47-T110 WeakPolarHBondContact OE2-CB 3.48Å; E47-T110 PolarHBondContact OE2-OG1 3.43Å; Y50-T110 HydrophobicContact CD2-CG2 4.1Å; Y50-T110 HydrophobicContact CE2-CG2 4.38Å; F51-T110 HydrophobicContact CE2-CG2 4.08Å; F51-T110 HydrophobicContact CZ-CG2 4.27Å; L105-T110 HydrophobicContact CD2-CG2 4.02Å; Q107-T110 PolarHBondContact O-N 2.95Å; A108-T110 PolarHBondContact O-N 2.91Å; T110-L113 PolarHBondContact O-N 2.79Å; T110-F114 HydrophobicContact CG2-CD2 4.13Å; T110-F114 HydrophobicContact CG2-CE2 4.2Å; T110-F114 WeakPolarHBondContact O-CD2 3.16Å; T110-F114 PolarHBondContact O-N 3.17Å
111R94.7Very high92.7Very high8 Ų826.3 Ų26.33%0.0314%0.14CC..Hα-helixtrans-62.1-43.4176.7165.9164.148.1-91.7-10.6112.8L105 Q107 A108 T109 F114 Y115 D213 E216 L220L105-R111 PolarHBondContact O-NH1 3.46Å; Q107-R111 PolarHBondContact O-N 2.86Å; A108-R111 PolarHBondContact O-N 3.45Å; T109-R111 PolarHBondContact O-N 3.45Å; R111-F114 PolarHBondContact O-N 3.35Å; R111-Y115 WeakPolarHBondContact O-CB 3.34Å; R111-Y115 PolarHBondContact O-N 2.93Å; R111-D213 WeakPolarHBondContact CD-O 3.48Å; R111-D213 IonicContact CZ-OD1 2.8Å; R111-D213 PolarHBondContact NE-O 2.89Å; R111-D213 IonicContact NE-OD1 3.84Å; R111-D213 IonicContact NH2-OD1 3.7Å; R111-D213 PolarHBondContact NH2-OD1 2.99Å; R111-E216 HydrophobicContact CG-CB 4.1Å; R111-L220 HydrophobicContact CG-CD1 4.23Å
112R94.6Very high92.2Very high25 Ų2526.8 Ų26.89%0.09414%0.142CC..Hα-helixtrans-59.8-48.6175-176.768.2-177.3176.86111.1E19 A108 T109 F114 Y115 L116 E216E19-R112 IonicContact OE1-CZ 2.87Å; E19-R112 IonicContact OE1-NE 2.64Å; E19-R112 PolarHBondContact OE1-NE 2.84Å; E19-R112 IonicContact OE1-NH2 3.71Å; E19-R112 PolarHBondContact OE1-NH2 3.29Å; E19-R112 IonicContact OE2-NE 2.7Å; A108-R112 PolarHBondContact O-N 3.14Å; T109-R112 PolarHBondContact O-N 2.85Å; R112-F114 VanDerWaalsContact C-N 3.32Å; R112-F114 PolarHBondContact O-N 2.99Å; R112-Y115 VanDerWaalsContact NH1-CE1 3.3Å; R112-Y115 WeakPolarHBondContact O-CB 3.27Å; R112-Y115 PolarHBondContact O-N 3.47Å; R112-L116 HydrophobicContact CG-CD1 3.86Å; R112-L116 HydrophobicContact CG-CG 4.32Å; R112-L116 VanDerWaalsContact O-CG 3.22Å; R112-L116 WeakPolarHBondContact O-CG 3.46Å; R112-L116 PolarHBondContact O-N 2.84Å; R112-E216 VanDerWaalsContact CA-OE2 3.31Å; R112-E216 WeakPolarHBondContact CA-OE2 3.3Å; R112-E216 WeakPolarHBondContact CD-OE1 3.44Å; R112-E216 WeakPolarHBondContact CD-OE2 3.37Å; R112-E216 IonicContact CZ-OE1 3.46Å; R112-E216 IonicContact NE-OE1 3.57Å; R112-E216 IonicContact NH1-OE1 2.94Å; R112-E216 PolarHBondContact NH1-OE1 3.19Å
113L94.6Very high91.6Very high24 Ų2424.1 Ų24.113%0.12613%0.13CC..Hα-helixtrans-60.8-39.5179.6-68.2166000112.3L17 I43 F51 F92 T109 T110 S117L17-L113 HydrophobicContact CD2-CD2 4.3Å; I43-L113 HydrophobicContact CD1-CD1 4.13Å; F51-L113 HydrophobicContact CE1-CB 3.83Å; F51-L113 HydrophobicContact CE1-CD1 4.23Å; F51-L113 HydrophobicContact CZ-CB 3.92Å; F51-L113 HydrophobicContact CZ-CD1 4.12Å; F92-L113 HydrophobicContact CE1-CD1 4.29Å; T109-L113 HydrophobicContact CG2-CD1 4.05Å; T109-L113 VanDerWaalsContact O-CG 3.29Å; T109-L113 WeakPolarHBondContact O-CG 3.49Å; T109-L113 PolarHBondContact O-N 3.27Å; T110-L113 PolarHBondContact O-N 2.79Å; L113-S117 VanDerWaalsContact O-CB 3.3Å; L113-S117 WeakPolarHBondContact O-CB 3.45Å; L113-S117 PolarHBondContact O-N 2.92Å
114F95.2Very high90.4Very high0 Ų021.8 Ų21.80%012%0.122CC..Hα-helixtrans-66.6-46.6172-93.3-79.1000112.6Y50 F51 T94 F96 F97 L105 T110 R111 R112 L116 S117 V118 L220Y50-F114 HydrophobicContact CD1-CE2 4.4Å; Y50-F114 HydrophobicContact CD1-CZ 4.07Å; Y50-F114 AromaticContact CD2-CE2 3.79Å; Y50-F114 HydrophobicContact CD2-CE2 3.79Å; Y50-F114 HydrophobicContact CD2-CZ 4.28Å; Y50-F114 AromaticContact CG-CE2 3.73Å; Y50-F114 HydrophobicContact CG-CE2 3.73Å; Y50-F114 AromaticContact CG-CZ 3.77Å; Y50-F114 HydrophobicContact CG-CZ 3.77Å; F51-F114 HydrophobicContact CE2-CE2 4.41Å; F51-F114 HydrophobicContact CZ-CD2 4.14Å; F51-F114 HydrophobicContact CZ-CE2 4.05Å; T94-F114 HydrophobicContact CG2-CD1 3.8Å; T94-F114 HydrophobicContact CG2-CD2 4.43Å; T94-F114 HydrophobicContact CG2-CE1 3.76Å; T94-F114 HydrophobicContact CG2-CE2 4.41Å; T94-F114 HydrophobicContact CG2-CG 4.15Å; T94-F114 HydrophobicContact CG2-CZ 4.1Å; F96-F114 WeakPolarHBondContact O-CZ 3.4Å; F97-F114 HydrophobicContact CD1-CD1 4.34Å; F97-F114 AromaticContact CD1-CE1 3.85Å; F97-F114 HydrophobicContact CD1-CE1 3.85Å; F97-F114 HydrophobicContact CE1-CD1 4.37Å; F97-F114 HydrophobicContact CE1-CE1 4.16Å; F97-F114 HydrophobicContact CG-CE1 4.34Å; L105-F114 HydrophobicContact CD1-CB 4.2Å; L105-F114 HydrophobicContact CD1-CD2 4.02Å; L105-F114 HydrophobicContact CD1-CG 4.14Å; L105-F114 HydrophobicContact CD2-CD2 3.71Å; L105-F114 HydrophobicContact CD2-CE2 3.61Å; L105-F114 HydrophobicContact CD2-CZ 4.36Å; T110-F114 HydrophobicContact CG2-CD2 4.13Å; T110-F114 HydrophobicContact CG2-CE2 4.2Å; T110-F114 WeakPolarHBondContact O-CD2 3.16Å; T110-F114 PolarHBondContact O-N 3.17Å; R111-F114 PolarHBondContact O-N 3.35Å; R112-F114 VanDerWaalsContact C-N 3.32Å; R112-F114 PolarHBondContact O-N 2.99Å; F114-L116 VanDerWaalsContact C-N 3.32Å; F114-L116 PolarHBondContact O-N 2.96Å; F114-S117 PolarHBondContact O-N 2.81Å; F114-V118 WeakPolarHBondContact O-CB 3.42Å; F114-V118 VanDerWaalsContact O-CG2 3.29Å; F114-V118 WeakPolarHBondContact O-CG2 3.44Å; F114-V118 PolarHBondContact O-N 2.91Å; F114-L220 HydrophobicContact CB-CD1 3.87Å; F114-L220 HydrophobicContact CB-CD2 4.14Å
115Y95.3Very high88.6Confident0 Ų023.3 Ų23.30%013%0.126CC..Hα-helixtrans-53.8-49.2177.2158.1-100.5000111.1R111 R112 V118 K119 A152 E156 E216 Y219R111-Y115 WeakPolarHBondContact O-CB 3.34Å; R111-Y115 PolarHBondContact O-N 2.93Å; R112-Y115 VanDerWaalsContact NH1-CE1 3.3Å; R112-Y115 WeakPolarHBondContact O-CB 3.27Å; R112-Y115 PolarHBondContact O-N 3.47Å; Y115-V118 PolarHBondContact O-N 3.38Å; Y115-K119 HydrophobicContact CE1-CD 4.38Å; Y115-K119 HydrophobicContact CE2-CD 4.32Å; Y115-K119 VanDerWaalsContact O-CB 3.23Å; Y115-K119 WeakPolarHBondContact O-CB 3.43Å; Y115-K119 PolarHBondContact O-N 2.89Å; Y115-K119 WeakPolarHBondContact OH-CD 3.1Å; Y115-A152 HydrophobicContact CE2-CB 4.46Å; Y115-A152 WeakPolarHBondContact OH-CA 3.42Å; Y115-A152 WeakPolarHBondContact OH-CB 3.38Å; Y115-E156 PolarHBondContact OH-OE1 2.99Å; Y115-E216 HydrophobicContact CD1-CG 3.99Å; Y115-E216 HydrophobicContact CD2-CB 4.44Å; Y115-E216 HydrophobicContact CD2-CG 4.26Å; Y115-E216 HydrophobicContact CE1-CG 4.49Å; Y115-E216 HydrophobicContact CG-CB 4.19Å; Y115-E216 HydrophobicContact CG-CG 3.88Å; Y115-Y219 AromaticContact CD2-CD1 3.6Å; Y115-Y219 HydrophobicContact CD2-CD1 3.6Å; Y115-Y219 HydrophobicContact CD2-CD2 4.27Å; Y115-Y219 HydrophobicContact CD2-CE1 4.19Å; Y115-Y219 AromaticContact CD2-CG 3.67Å; Y115-Y219 HydrophobicContact CD2-CG 3.67Å; Y115-Y219 AromaticContact CE2-CD1 3.92Å; Y115-Y219 HydrophobicContact CE2-CD1 3.92Å; Y115-Y219 AromaticContact CE2-CD2 3.79Å; Y115-Y219 HydrophobicContact CE2-CD2 3.79Å; Y115-Y219 HydrophobicContact CE2-CE1 4.29Å; Y115-Y219 HydrophobicContact CE2-CE2 4.16Å; Y115-Y219 AromaticContact CE2-CG 3.68Å; Y115-Y219 HydrophobicContact CE2-CG 3.68Å
116L93.1Very high86Confident7 Ų726.3 Ų26.34%0.03715%0.148CC..Hα-helixtrans-63.8-47179.3-65.6168.1000112.4H18 E19 R112 F114 V118 K119 S120H18-L116 HydrophobicContact CB-CB 4.04Å; H18-L116 HydrophobicContact CB-CD1 4.29Å; E19-L116 HydrophobicContact CB-CD1 4.44Å; E19-L116 VanDerWaalsContact CD-CD1 3.43Å; E19-L116 HydrophobicContact CG-CD1 3.64Å; E19-L116 HydrophobicContact CG-CD2 4.3Å; R112-L116 HydrophobicContact CG-CD1 3.86Å; R112-L116 HydrophobicContact CG-CG 4.32Å; R112-L116 VanDerWaalsContact O-CG 3.22Å; R112-L116 WeakPolarHBondContact O-CG 3.46Å; R112-L116 PolarHBondContact O-N 2.84Å; F114-L116 VanDerWaalsContact C-N 3.32Å; F114-L116 PolarHBondContact O-N 2.96Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 2.8Å; L116-K119 PolarHBondContact O-N 3.23Å; L116-S120 WeakPolarHBondContact O-CB 3.45Å; L116-S120 PolarHBondContact O-N 2.99Å
117S90.9Very high83.5Confident18 Ų1831.2 Ų31.213%0.12617%0.171CC..Hα-helixtrans-60-44.4178.8-169.10000111.7T94 L113 F114 T121T94-S117 PolarHBondContact OG1-OG 2.93Å; L113-S117 VanDerWaalsContact O-CB 3.3Å; L113-S117 WeakPolarHBondContact O-CB 3.45Å; L113-S117 PolarHBondContact O-N 2.92Å; F114-S117 PolarHBondContact O-N 2.81Å; S117-T121 WeakPolarHBondContact O-CB 3.36Å; S117-T121 PolarHBondContact O-N 2.89Å; S117-T121 PolarHBondContact O-OG1 3.41Å
118V90.7Very high81Confident4 Ų433.7 Ų33.72%0.02419%0.192CC..Hα-helixtrans-70.5-43.3178.5174.70000111.4F97 F114 Y115 L116 S120 T121 I122 Y219 L220 A223 F229F97-V118 HydrophobicContact CE1-CG2 4.13Å; F114-V118 WeakPolarHBondContact O-CB 3.42Å; F114-V118 VanDerWaalsContact O-CG2 3.29Å; F114-V118 WeakPolarHBondContact O-CG2 3.44Å; F114-V118 PolarHBondContact O-N 2.91Å; Y115-V118 PolarHBondContact O-N 3.38Å; L116-V118 VanDerWaalsContact C-N 3.34Å; L116-V118 PolarHBondContact O-N 2.8Å; V118-S120 PolarHBondContact O-N 3.18Å; V118-T121 PolarHBondContact O-N 3.28Å; V118-T121 VanDerWaalsContact O-N 3.13Å; V118-I122 HydrophobicContact CG1-CD1 3.81Å; V118-I122 HydrophobicContact CG1-CG1 4.49Å; V118-I122 WeakPolarHBondContact O-CG1 3.38Å; V118-I122 PolarHBondContact O-N 2.72Å; V118-Y219 HydrophobicContact CG1-CE1 4.25Å; V118-L220 HydrophobicContact CB-CD2 4.08Å; V118-L220 HydrophobicContact CG1-CD2 4.46Å; V118-L220 HydrophobicContact CG2-CD2 3.85Å; V118-A223 HydrophobicContact CG1-CB 3.64Å; V118-F229 HydrophobicContact CG1-CE2 4.2Å; V118-F229 HydrophobicContact CG2-CE2 3.88Å
119K90.8Very high78.3Confident23 Ų2336.1 Ų36.110%0.120%0.201CC..Hα-helixtrans-57.3-48.2174.4173172167.5174.20111.5Y115 L116 T121 I122 L123 A152 E156 Y219Y115-K119 HydrophobicContact CE1-CD 4.38Å; Y115-K119 HydrophobicContact CE2-CD 4.32Å; Y115-K119 VanDerWaalsContact O-CB 3.23Å; Y115-K119 WeakPolarHBondContact O-CB 3.43Å; Y115-K119 PolarHBondContact O-N 2.89Å; Y115-K119 WeakPolarHBondContact OH-CD 3.1Å; L116-K119 PolarHBondContact O-N 3.23Å; K119-T121 VanDerWaalsContact C-N 3.31Å; K119-T121 PolarHBondContact O-N 2.79Å; K119-I122 PolarHBondContact O-N 2.94Å; K119-L123 HydrophobicContact CD-CD1 4.49Å; K119-L123 HydrophobicContact CG-CD1 3.8Å; K119-L123 HydrophobicContact CG-CG 4.47Å; K119-L123 WeakPolarHBondContact O-CG 3.27Å; K119-L123 PolarHBondContact O-N 2.9Å; K119-A152 HydrophobicContact CD-CB 4.48Å; K119-E156 IonicContact NZ-OE1 3.4Å; K119-E156 PolarHBondContact NZ-OE1 2.91Å; K119-E156 IonicContact NZ-OE2 3.74Å; K119-E156 PolarHBondContact NZ-OE2 2.8Å; K119-Y219 WeakPolarHBondContact CA-OH 3.43Å; K119-Y219 HydrophobicContact CB-CE1 4.14Å
120S85.4Confident75.6Confident30 Ų3040.8 Ų40.821%0.2122%0.221CC..Hα-helixtrans-57.9-43174.1-170.30000112.2H18 L116 V118 I122 L123 N124H18-S120 VanDerWaalsContact CE1-CB 3.41Å; H18-S120 WeakPolarHBondContact CE1-CB 3.48Å; H18-S120 PolarHBondContact CE1-OG 3.3Å; L116-S120 WeakPolarHBondContact O-CB 3.45Å; L116-S120 PolarHBondContact O-N 2.99Å; V118-S120 PolarHBondContact O-N 3.18Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 3.26Å; S120-L123 PolarHBondContact O-N 2.84Å; S120-N124 VanDerWaalsContact O-CB 3.31Å; S120-N124 WeakPolarHBondContact O-CB 3.43Å; S120-N124 PolarHBondContact O-N 2.87Å; S120-N124 PolarHBondContact O-ND2 3.16Å; S120-N124 PolarHBondContact OG-ND2 3.34Å; S120-N124 VanDerWaalsContact OG-ND2 3.08Å
121T82.9Confident72.7Confident45 Ų4547.2 Ų47.228%0.27626%0.255SS..Hα-helixtrans-68.1-27.7179.9-56.60000112.9S117 V118 K119 R125 L138S117-T121 WeakPolarHBondContact O-CB 3.36Å; S117-T121 PolarHBondContact O-N 2.89Å; S117-T121 PolarHBondContact O-OG1 3.41Å; V118-T121 PolarHBondContact O-N 3.28Å; V118-T121 VanDerWaalsContact O-N 3.13Å; K119-T121 VanDerWaalsContact C-N 3.31Å; K119-T121 PolarHBondContact O-N 2.79Å; T121-R125 WeakPolarHBondContact O-CB 3.27Å; T121-L138 HydrophobicContact CG2-CD1 4.34Å
122I84Confident69.7Low11 Ų1150.7 Ų50.76%0.05629%0.293CS..Hα-helixtrans-80.3-40.2175.5-69.7168000110.8V118 K119 S120 L138 P140 L148 P183 Y219 A223V118-I122 HydrophobicContact CG1-CD1 3.81Å; V118-I122 HydrophobicContact CG1-CG1 4.49Å; V118-I122 WeakPolarHBondContact O-CG1 3.38Å; V118-I122 PolarHBondContact O-N 2.72Å; K119-I122 PolarHBondContact O-N 2.94Å; S120-I122 VanDerWaalsContact C-N 3.3Å; S120-I122 PolarHBondContact O-N 3.26Å; I122-L138 HydrophobicContact CG1-CB 4.16Å; I122-L138 HydrophobicContact CG1-CD2 4.3Å; I122-P140 HydrophobicContact CG2-CG 4.27Å; I122-L148 HydrophobicContact CD1-CD1 4.13Å; I122-P183 HydrophobicContact CG2-CG 3.88Å; I122-P183 VanDerWaalsContact O-CG 3.32Å; I122-P183 WeakPolarHBondContact O-CG 3.37Å; I122-Y219 HydrophobicContact CD1-CE1 4.39Å; I122-A223 HydrophobicContact CD1-CB 4.18Å
123L81.3Confident66.8Low31 Ų3154.1 Ų54.116%0.16231%0.314CS..Hα-helixtrans-77.9-44.3-177.6-65.3173.5000113.8K119 S120 P183K119-L123 HydrophobicContact CD-CD1 4.49Å; K119-L123 HydrophobicContact CG-CD1 3.8Å; K119-L123 HydrophobicContact CG-CG 4.47Å; K119-L123 WeakPolarHBondContact O-CG 3.27Å; K119-L123 PolarHBondContact O-N 2.9Å; S120-L123 PolarHBondContact O-N 2.84Å; L123-P183 HydrophobicContact CD2-CG 4.3Å
124N68Low63.9Low70 Ų7058.4 Ų58.437%0.37434%0.344SS..SBendtrans-103.8-3.9-161.2-57.5-35.4000114.8S120 S126 E127S120-N124 VanDerWaalsContact O-CB 3.31Å; S120-N124 WeakPolarHBondContact O-CB 3.43Å; S120-N124 PolarHBondContact O-N 2.87Å; S120-N124 PolarHBondContact O-ND2 3.16Å; S120-N124 PolarHBondContact OG-ND2 3.34Å; S120-N124 VanDerWaalsContact OG-ND2 3.08Å; N124-S126 PolarHBondContact O-N 2.83Å; N124-E127 PolarHBondContact O-N 3.32Å
125R56Low61.3Low55 Ų5560.9 Ų60.921%0.20836%0.355CS..THydrogen-bonded Turntrans-72.41.3-169.3-174.8159.2166.9155-4.7115T121 E127 G136T121-R125 WeakPolarHBondContact O-CB 3.27Å; R125-E127 VanDerWaalsContact C-N 3.35Å; R125-G136 VanDerWaalsContact CZ-O 3.25Å; R125-G136 PolarHBondContact NE-O 2.83Å; R125-G136 PolarHBondContact NH2-O 3.2Å
126S41.5Very low59Low69 Ų6960.9 Ų60.948%0.48336%0.355SS..THydrogen-bonded Turntrans-69.8-28.6169.6-1580000113.2N124N124-S126 PolarHBondContact O-N 2.83Å
127E41Very low57.1Low121 Ų12161.6 Ų61.657%0.56536%0.359SS*.THydrogen-bonded Turntrans-102.3-20.8-166.9-61.9-177.416800113.9N124 R125 N129N124-E127 PolarHBondContact O-N 3.32Å; R125-E127 VanDerWaalsContact C-N 3.35Å; E127-N129 VanDerWaalsContact C-N 3.31Å; E127-N129 PolarHBondContact O-N 2.75Å
128S40.1Very low55.6Low87 Ų8761.2 Ų61.261%0.60836%0.356SS*.SBendtrans-78.1-7.7-17260.50000115.3M130S128-M130 PolarHBondContact O-N 3.08Å
129N37.2Very low54.5Low79 Ų7962.6 Ų62.642%0.42237%0.365SS..  trans-98.881.7-179.6-83.2-9.8000111.4E127 N131 F135E127-N129 VanDerWaalsContact C-N 3.31Å; E127-N129 PolarHBondContact O-N 2.75Å; N129-N131 PolarHBondContact O-N 3.3Å; N129-F135 PolarHBondContact ND2-O 3.41Å
130M35.8Very low53.8Low150 Ų15061.8 Ų61.874%0.73936%0.362SS*.THydrogen-bonded Turntrans-64.330.3178.3-79-79.1175.900115.9R63 S128R63-M130 PolarHBondContact NH1-O 3.45Å; S128-M130 PolarHBondContact O-N 3.08Å
131N33.5Very low53.7Low134 Ų13464 Ų6472%0.71738%0.378SS*.THydrogen-bonded Turntrans-121.92.2-172.8-65.419.9000112.9N129 N133N129-N131 PolarHBondContact O-N 3.3Å; N131-N133 PolarHBondContact O-N 3.14Å
132G30.9Very low53.7Low81 Ų8163.6 Ų63.684%0.83537%0.374SS*.SBendtrans64.819173.900000115.6
133N34.3Very low53.9Low97 Ų9766.8 Ų66.852%0.51939%0.391SS..  trans-131.6119.8-165.6-130.9-3.9000109.7N131 F135N131-N133 PolarHBondContact O-N 3.14Å; N133-F135 VanDerWaalsContact C-N 3.28Å; N133-F135 HydrophobicContact CB-CD2 3.84Å; N133-F135 HydrophobicContact CB-CE2 4.09Å; N133-F135 PolarHBondContact O-N 3.48Å; N133-F135 WeakPolarHBondContact OD1-CE2 3.4Å
134C33.8Very low54.2Low114 Ų11467.7 Ų67.777%0.7740%0.398SS*.  trans-74.665.6-167.5-58.20000114.4
135F40.5Very low55.2Low53 Ų5364.5 Ų64.523%0.23238%0.381CS..  trans-126.3113.6-176.7-63.9-89000111.6N129 N133 W268 K281 Q283N129-F135 PolarHBondContact ND2-O 3.41Å; N133-F135 VanDerWaalsContact C-N 3.28Å; N133-F135 HydrophobicContact CB-CD2 3.84Å; N133-F135 HydrophobicContact CB-CE2 4.09Å; N133-F135 PolarHBondContact O-N 3.48Å; N133-F135 WeakPolarHBondContact OD1-CE2 3.4Å; F135-W268 HydrophobicContact CB-CZ2 3.99Å; F135-W268 HydrophobicContact CG-CZ2 4.23Å; F135-K281 VanDerWaalsContact CD1-O 3.24Å; F135-K281 WeakPolarHBondContact CD1-O 3.01Å; F135-K281 WeakPolarHBondContact CE1-O 3.13Å; F135-Q283 HydrophobicContact CB-CG 4.31Å
136G47.2Very low56.8Low0 Ų062 Ų620%037%0.371CS..  trans119.317.2157.900000118.9R125 L138R125-G136 VanDerWaalsContact CZ-O 3.25Å; R125-G136 PolarHBondContact NE-O 2.83Å; R125-G136 PolarHBondContact NH2-O 3.2Å; G136-L138 PolarHBondContact O-N 3.43Å
137D53.8Low59.2Low21 Ų2160.9 Ų60.911%0.11236%0.36CS..  trans-62133.1176-43.5-97.9000112.4C139 Q185 L228 R284D137-C139 HydrophobicContact CB-CB 3.69Å; D137-C139 PolarHBondContact O-N 3.35Å; D137-Q185 PolarHBondContact OD1-NE2 2.98Å; D137-L228 VanDerWaalsContact O-CD1 3.3Å; D137-L228 WeakPolarHBondContact O-CD1 3.19Å; D137-R284 IonicContact OD2-CZ 3.7Å; D137-R284 IonicContact OD2-NE 3.88Å; D137-R284 IonicContact OD2-NH2 2.9Å; D137-R284 PolarHBondContact OD2-NH2 3.34Å
138L60Low61.7Low11 Ų1155.4 Ų55.46%0.05833%0.334CS..  trans-75.870.3149.8-83.177.8000107.7T121 I122 G136 P140 L228T121-L138 HydrophobicContact CG2-CD1 4.34Å; I122-L138 HydrophobicContact CG1-CB 4.16Å; I122-L138 HydrophobicContact CG1-CD2 4.3Å; G136-L138 PolarHBondContact O-N 3.43Å; L138-P140 WeakPolarHBondContact O-CD 3.25Å; L138-L228 HydrophobicContact CD1-CB 3.91Å; L138-L228 HydrophobicContact CG-CB 4.11Å
139C66Low64.2Low33 Ų3351.2 Ų51.222%0.22331%0.305CS..  trans-93.494173.4-169.50000108.1D137D137-C139 HydrophobicContact CB-CB 3.69Å; D137-C139 PolarHBondContact O-N 3.35Å
140P77.1Confident66.8Low6 Ų647.5 Ų47.54%0.03929%0.285CS..  trans-61.9155.5172.627.2-35.3000110.5I122 L138 V144 A145 L148I122-P140 HydrophobicContact CG2-CG 4.27Å; L138-P140 WeakPolarHBondContact O-CD 3.25Å; P140-V144 HydrophobicContact CB-CB 3.96Å; P140-V144 HydrophobicContact CB-CG1 3.74Å; P140-A145 HydrophobicContact CG-CB 4Å; P140-L148 HydrophobicContact CG-CD1 4.3Å
141S82.5Confident69.6Low76 Ų7640.5 Ų40.553%0.53125%0.251SS..  trans-56.3148.7166.852.40000110.8D143 V144 A145S141-D143 VanDerWaalsContact C-N 3.29Å; S141-D143 PolarHBondContact O-N 3.48Å; S141-D143 VanDerWaalsContact O-N 3.12Å; S141-V144 CarbonylContact O-C 2.75Å; S141-V144 WeakPolarHBondContact O-CA 3.44Å; S141-V144 WeakPolarHBondContact O-CB 3.32Å; S141-V144 PolarHBondContact O-N 2.88Å; S141-V144 WeakPolarHBondContact OG-CG2 3.32Å; S141-A145 PolarHBondContact O-N 2.93Å
142L83.9Confident72.4Confident37 Ų3734.2 Ų34.219%0.19422%0.217CC..Hα-helixtrans-50-43.6-172.9-17960.2000113.6V144 A145 I146 I190 V196L142-V144 VanDerWaalsContact C-N 3.34Å; L142-V144 PolarHBondContact O-N 2.87Å; L142-A145 WeakPolarHBondContact O-CB 3.36Å; L142-A145 PolarHBondContact O-N 3.46Å; L142-I146 HydrophobicContact CD1-CD1 4.26Å; L142-I146 HydrophobicContact CD1-CG1 4.41Å; L142-I146 HydrophobicContact CG-CD1 4.03Å; L142-I146 VanDerWaalsContact O-CG1 3.28Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 3.32Å; L142-I190 HydrophobicContact CD1-CD1 4.04Å; L142-I190 HydrophobicContact CD1-CG1 4.06Å; L142-I190 HydrophobicContact CD2-CG1 4.18Å; L142-V196 HydrophobicContact CD2-CG2 4.35Å
143D86.8Confident75.3Confident77 Ų7730.3 Ų30.341%0.41218%0.178SC..Hα-helixtrans-64.2-35.3177.3-62.8-64.3000113.6S141 I146 L147 K199S141-D143 VanDerWaalsContact C-N 3.29Å; S141-D143 PolarHBondContact O-N 3.48Å; S141-D143 VanDerWaalsContact O-N 3.12Å; D143-I146 PolarHBondContact O-N 2.87Å; D143-L147 WeakPolarHBondContact O-CB 3.44Å; D143-L147 PolarHBondContact O-N 3.49Å; D143-K199 IonicContact OD1-NZ 2.78Å; D143-K199 PolarHBondContact OD1-NZ 3.21Å; D143-K199 IonicContact OD2-NZ 2.7Å
144V89.1Confident78.1Confident51 Ų5125.8 Ų25.831%0.30915%0.153SC..Hα-helixtrans-74.1-34174.9175.30000110.5P140 S141 L142 L147 L148 V222P140-V144 HydrophobicContact CB-CB 3.96Å; P140-V144 HydrophobicContact CB-CG1 3.74Å; S141-V144 CarbonylContact O-C 2.75Å; S141-V144 WeakPolarHBondContact O-CA 3.44Å; S141-V144 WeakPolarHBondContact O-CB 3.32Å; S141-V144 PolarHBondContact O-N 2.88Å; S141-V144 WeakPolarHBondContact OG-CG2 3.32Å; L142-V144 VanDerWaalsContact C-N 3.34Å; L142-V144 PolarHBondContact O-N 2.87Å; V144-L147 PolarHBondContact O-N 2.86Å; V144-L148 HydrophobicContact CG1-CD1 4.04Å; V144-L148 HydrophobicContact CG1-CG 4.4Å; V144-L148 WeakPolarHBondContact O-CB 3.47Å; V144-L148 VanDerWaalsContact O-CG 3.25Å; V144-L148 WeakPolarHBondContact O-CG 3.46Å; V144-L148 PolarHBondContact O-N 2.96Å; V144-V222 HydrophobicContact CG1-CG1 3.93Å
145A88.5Confident80.9Confident2 Ų220.5 Ų20.52%0.01712%0.118CC..Hα-helixtrans-62.3-44.217100000111.6P140 S141 L142 L148 A149 L186P140-A145 HydrophobicContact CG-CB 4Å; S141-A145 PolarHBondContact O-N 2.93Å; L142-A145 WeakPolarHBondContact O-CB 3.36Å; L142-A145 PolarHBondContact O-N 3.46Å; A145-L148 PolarHBondContact O-N 3.42Å; A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 2.79Å; A145-L186 HydrophobicContact CB-CD1 3.56Å
146I89.5Confident83.2Confident2 Ų221.3 Ų21.31%0.0112%0.122CC..Hα-helixtrans-62.9-45.1175.7-66.9164.3000110.9L142 D143 A149 S150 I182 V196 K199 F200L142-I146 HydrophobicContact CD1-CD1 4.26Å; L142-I146 HydrophobicContact CD1-CG1 4.41Å; L142-I146 HydrophobicContact CG-CD1 4.03Å; L142-I146 VanDerWaalsContact O-CG1 3.28Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 3.32Å; D143-I146 PolarHBondContact O-N 2.87Å; I146-A149 PolarHBondContact O-N 3.4Å; I146-S150 PolarHBondContact O-N 3.36Å; I146-I182 HydrophobicContact CG1-CD1 3.97Å; I146-V196 HydrophobicContact CD1-CB 4.43Å; I146-V196 HydrophobicContact CD1-CG1 3.92Å; I146-V196 HydrophobicContact CD1-CG2 4.28Å; I146-V196 HydrophobicContact CG1-CG1 4.05Å; I146-K199 HydrophobicContact CD1-CB 4.34Å; I146-K199 HydrophobicContact CD1-CD 4.22Å; I146-K199 HydrophobicContact CG2-CB 4.18Å; I146-F200 HydrophobicContact CG2-CB 3.95Å
147L92.5Very high85Confident46 Ų4626.7 Ų26.724%0.24114%0.143CC..Hα-helixtrans-60.1-47.5175.817860.2000111.5D143 V144 A149 S150 L151 V222D143-L147 WeakPolarHBondContact O-CB 3.44Å; D143-L147 PolarHBondContact O-N 3.49Å; V144-L147 PolarHBondContact O-N 2.86Å; L147-A149 VanDerWaalsContact C-N 3.35Å; L147-A149 PolarHBondContact O-N 3.31Å; L147-S150 PolarHBondContact O-N 3.2Å; L147-S150 PolarHBondContact O-OG 3.32Å; L147-L151 HydrophobicContact CD1-CD1 4.33Å; L147-L151 HydrophobicContact CG-CD1 4.28Å; L147-L151 WeakPolarHBondContact O-CG 3.43Å; L147-L151 PolarHBondContact O-N 3.47Å; L147-V222 HydrophobicContact CD2-CG1 4.21Å; L147-V222 HydrophobicContact CD2-CG2 4.09Å
148L92.8Very high86.6Confident6 Ų626.9 Ų26.93%0.03115%0.151CC..Hα-helixtrans-61.6-40.6175.8-73.4169.8000111.8I122 P140 V144 A145 S150 L151 A152 Y219 V222I122-L148 HydrophobicContact CD1-CD1 4.13Å; P140-L148 HydrophobicContact CG-CD1 4.3Å; V144-L148 HydrophobicContact CG1-CD1 4.04Å; V144-L148 HydrophobicContact CG1-CG 4.4Å; V144-L148 WeakPolarHBondContact O-CB 3.47Å; V144-L148 VanDerWaalsContact O-CG 3.25Å; V144-L148 WeakPolarHBondContact O-CG 3.46Å; V144-L148 PolarHBondContact O-N 2.96Å; A145-L148 PolarHBondContact O-N 3.42Å; L148-S150 PolarHBondContact O-N 2.64Å; L148-L151 PolarHBondContact O-N 3.11Å; L148-A152 WeakPolarHBondContact O-CB 3.48Å; L148-A152 PolarHBondContact O-N 3.35Å; L148-Y219 HydrophobicContact CB-CD2 4.2Å; L148-Y219 HydrophobicContact CB-CE2 3.68Å; L148-Y219 HydrophobicContact CD2-CD1 4.12Å; L148-Y219 HydrophobicContact CD2-CD2 3.69Å; L148-Y219 HydrophobicContact CD2-CE1 4.13Å; L148-Y219 HydrophobicContact CD2-CE2 3.72Å; L148-Y219 HydrophobicContact CD2-CG 3.89Å; L148-Y219 HydrophobicContact CG-CE2 4.27Å; L148-Y219 WeakPolarHBondContact O-CD2 3.41Å; L148-Y219 VanDerWaalsContact O-CE2 3.26Å; L148-Y219 WeakPolarHBondContact O-CE2 3.37Å; L148-V222 HydrophobicContact CD2-CB 3.91Å; L148-V222 HydrophobicContact CD2-CG1 3.74Å; L148-V222 HydrophobicContact CG-CG1 3.97Å
149A91.7Very high87.9Confident0 Ų029.6 Ų29.60%017%0.165CC..Hα-helixtrans-63.1-39.317500000112.4A145 I146 L147 A152 S153 L181 I182 F200A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 2.79Å; I146-A149 PolarHBondContact O-N 3.4Å; L147-A149 VanDerWaalsContact C-N 3.35Å; L147-A149 PolarHBondContact O-N 3.31Å; A149-A152 PolarHBondContact O-N 3.28Å; A149-S153 WeakPolarHBondContact O-CB 3.09Å; A149-S153 PolarHBondContact O-N 3.26Å; A149-S153 PolarHBondContact O-OG 3.37Å; A149-L181 HydrophobicContact CB-CB 3.67Å; A149-I182 HydrophobicContact CB-CG1 4.34Å; A149-F200 HydrophobicContact CB-CD2 4.14Å; A149-F200 HydrophobicContact CB-CE2 3.95Å
150S92.7Very high88.6Confident0 Ų028.6 Ų28.60%016%0.157CC..Hα-helixtrans-65.4-40.8175.974.90000112.1I146 L147 L148 S153 Q154 H207I146-S150 PolarHBondContact O-N 3.36Å; L147-S150 PolarHBondContact O-N 3.2Å; L147-S150 PolarHBondContact O-OG 3.32Å; L148-S150 PolarHBondContact O-N 2.64Å; S150-S153 PolarHBondContact O-N 2.7Å; S150-Q154 PolarHBondContact O-N 3.41Å; S150-H207 PolarHBondContact OG-NE2 3.21Å
151L93.9Very high88.1Confident4 Ų431.2 Ų31.22%0.02118%0.175CC..Hα-helixtrans-69.4-37.8176.6-71.9169.5000112.3L147 L148 S153 Q154 A155 M210 Q218 Y219 V222L147-L151 HydrophobicContact CD1-CD1 4.33Å; L147-L151 HydrophobicContact CG-CD1 4.28Å; L147-L151 WeakPolarHBondContact O-CG 3.43Å; L147-L151 PolarHBondContact O-N 3.47Å; L148-L151 PolarHBondContact O-N 3.11Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-Q154 PolarHBondContact O-N 3.47Å; L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 3.28Å; L151-M210 HydrophobicContact CD2-CE 4.41Å; L151-M210 HydrophobicContact CD2-SD 4.27Å; L151-Q218 HydrophobicContact CD1-CB 4.09Å; L151-Q218 HydrophobicContact CD2-CB 3.87Å; L151-Y219 HydrophobicContact CB-CD2 4.15Å; L151-V222 HydrophobicContact CD1-CG2 4.16Å
152A93.5Very high87.3Confident1 Ų132.4 Ų32.41%0.00817%0.172CC..Hα-helixtrans-64.3-39.3172.200000111.7Y115 K119 L148 A149 A155 E156 L181 Y219Y115-A152 HydrophobicContact CE2-CB 4.46Å; Y115-A152 WeakPolarHBondContact OH-CA 3.42Å; Y115-A152 WeakPolarHBondContact OH-CB 3.38Å; K119-A152 HydrophobicContact CD-CB 4.48Å; L148-A152 WeakPolarHBondContact O-CB 3.48Å; L148-A152 PolarHBondContact O-N 3.35Å; A149-A152 PolarHBondContact O-N 3.28Å; A152-A155 PolarHBondContact O-N 3.37Å; A152-E156 WeakPolarHBondContact O-CB 3.36Å; A152-E156 PolarHBondContact O-N 3.33Å; A152-L181 HydrophobicContact CB-CD1 4.37Å; A152-L181 HydrophobicContact CB-CD2 4.08Å; A152-Y219 HydrophobicContact CB-CD2 4.25Å; A152-Y219 HydrophobicContact CB-CE2 4.04Å
153S91.3Very high85.8Confident0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-65-45.4175.9-59.20000111.8A149 S150 L151 A155 E156 Y157 L181 F200A149-S153 WeakPolarHBondContact O-CB 3.09Å; A149-S153 PolarHBondContact O-N 3.26Å; A149-S153 PolarHBondContact O-OG 3.37Å; S150-S153 PolarHBondContact O-N 2.7Å; L151-S153 VanDerWaalsContact C-N 3.34Å; S153-A155 VanDerWaalsContact C-N 3.25Å; S153-A155 PolarHBondContact O-N 3.4Å; S153-E156 PolarHBondContact O-N 2.69Å; S153-Y157 PolarHBondContact O-N 2.99Å; S153-L181 WeakPolarHBondContact OG-CD1 3.24Å; S153-F200 WeakPolarHBondContact OG-CZ 3.17Å
154Q92.8Very high84.1Confident2 Ų243.3 Ų43.31%0.00922%0.22CC..Hα-helixtrans-58.6-35.8172-174.1713500112.4S150 L151 G158 D159 Y204 H207 M210 A215S150-Q154 PolarHBondContact O-N 3.41Å; L151-Q154 PolarHBondContact O-N 3.47Å; Q154-G158 WeakPolarHBondContact O-CA 3.34Å; Q154-G158 PolarHBondContact O-N 3.07Å; Q154-G158 PolarHBondContact OE1-O 2.92Å; Q154-D159 PolarHBondContact NE2-OD1 2.91Å; Q154-Y204 HydrophobicContact CB-CD2 4.49Å; Q154-Y204 HydrophobicContact CB-CE2 4.18Å; Q154-H207 HydrophobicContact CB-CB 4.29Å; Q154-H207 HydrophobicContact CG-CB 3.89Å; Q154-H207 PolarHBondContact NE2-O 2.96Å; Q154-M210 HydrophobicContact CG-CB 4.09Å; Q154-M210 PolarHBondContact NE2-O 3.27Å; Q154-A215 HydrophobicContact CB-CB 4.16Å; Q154-A215 HydrophobicContact CG-CB 3.9Å
155A92.4Very high82.3Confident3 Ų342.5 Ų42.53%0.02521%0.214CC..Hα-helixtrans-77-20.3178.300000114.5L151 A152 S153 R212 A215 E216L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 3.28Å; A152-A155 PolarHBondContact O-N 3.37Å; S153-A155 VanDerWaalsContact C-N 3.25Å; S153-A155 PolarHBondContact O-N 3.4Å; A155-R212 VanDerWaalsContact O-CD 3.27Å; A155-R212 WeakPolarHBondContact O-CD 3.43Å; A155-R212 WeakPolarHBondContact O-CG 3.3Å; A155-A215 HydrophobicContact CB-CB 3.96Å; A155-E216 HydrophobicContact CB-CG 3.99Å
156E88.5Confident80.3Confident70 Ų7044.7 Ų44.733%0.32723%0.229SC..Hα-helixtrans-107.3-34.9-176-81.3156.9-15600113.6Y115 K119 A152 S153Y115-E156 PolarHBondContact OH-OE1 2.99Å; K119-E156 IonicContact NZ-OE1 3.4Å; K119-E156 PolarHBondContact NZ-OE1 2.91Å; K119-E156 IonicContact NZ-OE2 3.74Å; K119-E156 PolarHBondContact NZ-OE2 2.8Å; A152-E156 WeakPolarHBondContact O-CB 3.36Å; A152-E156 PolarHBondContact O-N 3.33Å; S153-E156 PolarHBondContact O-N 2.69Å
157Y86.1Confident78.6Confident112 Ų11250.8 Ų50.844%0.43926%0.261SS..Hα-helixtrans-111.7-19.1-178.6-53.8-64.1000113.9S153 R177S153-Y157 PolarHBondContact O-N 2.99Å; Y157-R177 HydrophobicContact CE2-CG 3.99Å
158G87.3Confident76.6Confident26 Ų2653.5 Ų53.527%0.26828%0.28SS..  trans84.6-155.8-172.600000112.7Q154 Y204Q154-G158 WeakPolarHBondContact O-CA 3.34Å; Q154-G158 PolarHBondContact O-N 3.07Å; Q154-G158 PolarHBondContact OE1-O 2.92Å; G158-Y204 VanDerWaalsContact O-CE2 3.25Å; G158-Y204 WeakPolarHBondContact O-CE2 3.28Å; G158-Y204 PolarHBondContact O-OH 3.39Å
159D87.1Confident74.6Confident68 Ų6857 Ų5736%0.36430%0.296SS..SBendtrans-63.4145.8-179.6-71.9-14.9000111.9Q154 C161 K208 G209Q154-D159 PolarHBondContact NE2-OD1 2.91Å; D159-C161 PolarHBondContact O-N 3.35Å; D159-K208 HydrophobicContact CB-CG 4.41Å; D159-K208 WeakPolarHBondContact OD1-CA 3.33Å; D159-G209 PolarHBondContact OD1-N 2.9Å; D159-G209 PolarHBondContact OD2-N 3.29Å
160L80.1Confident72.6Confident11 Ų1158.3 Ų58.36%0.05830%0.303CS..  trans-73.8109172.8-172.467.9000110.3L165 Y204 K205L160-L165 HydrophobicContact CD1-CD1 4.05Å; L160-L165 HydrophobicContact CG-CD1 4.45Å; L160-Y204 HydrophobicContact CB-CD1 4.42Å; L160-Y204 HydrophobicContact CB-CD2 4.49Å; L160-Y204 HydrophobicContact CB-CE1 4.31Å; L160-Y204 HydrophobicContact CB-CE2 4.35Å; L160-Y204 HydrophobicContact CB-CG 4.5Å; L160-Y204 HydrophobicContact CD1-CD1 4.18Å; L160-Y204 HydrophobicContact CD1-CE1 3.9Å; L160-Y204 HydrophobicContact CD2-CD1 4.46Å; L160-K205 HydrophobicContact CD2-CG 3.85Å
161C68.1Low70.6Confident62 Ų6264.6 Ų64.642%0.41934%0.335SS..  trans-66.7124.9164.9-60.60000109.1D159 E164 L165D159-C161 PolarHBondContact O-N 3.35Å; C161-E164 HydrophobicContact CB-CB 4.21Å; C161-E164 HydrophobicContact CB-CG 4.03Å; C161-E164 WeakPolarHBondContact CB-OE2 3.23Å; C161-E164 PolarHBondContact SG-OE2 3.33Å; C161-E164 VanDerWaalsContact SG-OE2 3.35Å; C161-L165 VanDerWaalsContact O-CD1 3.31Å; C161-L165 WeakPolarHBondContact O-CD1 3.22Å
162E64.8Low68.8Low100 Ų10067.5 Ų67.547%0.46735%0.353SS..SBendtrans-91.1-10.8174.6-52-163.4175.400111.9K205E162-K205 VanDerWaalsContact OE1-CD 3.26Å; E162-K205 WeakPolarHBondContact OE1-CD 3.38Å; E162-K205 WeakPolarHBondContact OE1-CE 3.37Å; E162-K205 IonicContact OE1-NZ 3.38Å; E162-K205 PolarHBondContact OE1-NZ 3.3Å; E162-K205 IonicContact OE2-NZ 2.76Å; E162-K205 PolarHBondContact OE2-NZ 2.77Å
163E52.5Low67.4Low199 Ų19972 Ų7293%0.9337%0.373SS*.SBendtrans-90.9-15.6-177-68.3158.9-151.500113.2
164E50.8Low66.2Low145 Ų14572 Ų7268%0.67837%0.373SS*.SBendtrans-98.420.5178.6-62.3179.7140.100112.3C161C161-E164 HydrophobicContact CB-CB 4.21Å; C161-E164 HydrophobicContact CB-CG 4.03Å; C161-E164 WeakPolarHBondContact CB-OE2 3.23Å; C161-E164 PolarHBondContact SG-OE2 3.33Å; C161-E164 VanDerWaalsContact SG-OE2 3.35Å
165L52.3Low64.8Low34 Ų3473.2 Ų73.218%0.17838%0.381CS..  trans-131.391.9-168.6-72.8178.2000111.7L160 C161 E170L160-L165 HydrophobicContact CD1-CD1 4.05Å; L160-L165 HydrophobicContact CG-CD1 4.45Å; C161-L165 VanDerWaalsContact O-CD1 3.31Å; C161-L165 WeakPolarHBondContact O-CD1 3.22Å; L165-E170 HydrophobicContact CB-CG 3.76Å; L165-E170 HydrophobicContact CD1-CG 4.16Å; L165-E170 HydrophobicContact CD2-CG 4.18Å; L165-E170 HydrophobicContact CG-CG 4.25Å
166S46.9Very low63.5Low47 Ų4781.5 Ų81.533%0.32941%0.411SS..  trans-66151.716069.50000110.4T168 E169 E170S166-T168 PolarHBondContact O-N 3.38Å; S166-T168 VanDerWaalsContact O-N 3.1Å; S166-T168 PolarHBondContact OG-OG1 3Å; S166-E169 WeakPolarHBondContact CB-OE2 3.41Å; S166-E169 PolarHBondContact N-OE2 2.83Å; S166-E169 PolarHBondContact O-N 2.92Å; S166-E169 WeakPolarHBondContact OG-CG 3.33Å; S166-E169 PolarHBondContact OG-N 3.26Å; S166-E169 PolarHBondContact OG-OE2 2.97Å; S166-E170 PolarHBondContact O-N 2.9Å
167D52.7Low62.6Low130 Ų13080.8 Ų80.870%0.69541%0.406SS*.Hα-helixtrans-52.3-36.7177.8-67.1-48.7000112E169 L171D167-E169 PolarHBondContact O-N 3.06Å; D167-L171 WeakPolarHBondContact O-CD1 3.36Å; D167-L171 VanDerWaalsContact O-CG 3.29Å; D167-L171 WeakPolarHBondContact O-CG 3.48Å; D167-L171 PolarHBondContact O-N 2.75Å
168T49.6Very low61.8Low104 Ų10475.5 Ų75.564%0.63839%0.385SS*.Hα-helixtrans-62.7-33.9175.125.80000114.3S166 T172S166-T168 PolarHBondContact O-N 3.38Å; S166-T168 VanDerWaalsContact O-N 3.1Å; S166-T168 PolarHBondContact OG-OG1 3Å; T168-T172 PolarHBondContact O-OG1 2.81Å
169E51.6Low60.8Low79 Ų7978.1 Ų78.137%0.36939%0.392SS..Hα-helixtrans-86.6-37.2-179.4-70.7167.1121.200111.1S166 D167 L171 T172 F173S166-E169 WeakPolarHBondContact CB-OE2 3.41Å; S166-E169 PolarHBondContact N-OE2 2.83Å; S166-E169 PolarHBondContact O-N 2.92Å; S166-E169 WeakPolarHBondContact OG-CG 3.33Å; S166-E169 PolarHBondContact OG-N 3.26Å; S166-E169 PolarHBondContact OG-OE2 2.97Å; D167-E169 PolarHBondContact O-N 3.06Å; E169-L171 PolarHBondContact O-N 2.77Å; E169-T172 PolarHBondContact O-N 2.57Å; E169-T172 PolarHBondContact O-OG1 2.92Å; E169-F173 HydrophobicContact CB-CD2 3.9Å; E169-F173 HydrophobicContact CB-CE2 3.84Å; E169-F173 HydrophobicContact CG-CD2 4.37Å; E169-F173 HydrophobicContact CG-CE2 3.83Å; E169-F173 HydrophobicContact CG-CZ 4.48Å; E169-F173 WeakPolarHBondContact O-CB 3.43Å; E169-F173 WeakPolarHBondContact O-CD2 3.39Å; E169-F173 PolarHBondContact O-N 3.47Å
170E50.8Low60.2Low28 Ų2881.6 Ų81.613%0.13140%0.4CS..Hα-helixtrans-54.2-42.7172.3-68.6-151.8121.900112.5L165 S166 T172 L174 R201L165-E170 HydrophobicContact CB-CG 3.76Å; L165-E170 HydrophobicContact CD1-CG 4.16Å; L165-E170 HydrophobicContact CD2-CG 4.18Å; L165-E170 HydrophobicContact CG-CG 4.25Å; S166-E170 PolarHBondContact O-N 2.9Å; E170-T172 PolarHBondContact O-N 3.38Å; E170-L174 PolarHBondContact O-N 2.96Å; E170-R201 VanDerWaalsContact CD-NH2 3.25Å; E170-R201 IonicContact OE1-CZ 3.31Å; E170-R201 VanDerWaalsContact OE1-CZ 3.31Å; E170-R201 IonicContact OE1-NH1 3.72Å; E170-R201 PolarHBondContact OE1-NH1 2.91Å; E170-R201 IonicContact OE1-NH2 3.44Å; E170-R201 PolarHBondContact OE1-NH2 3.1Å; E170-R201 IonicContact OE2-CZ 3.13Å; E170-R201 IonicContact OE2-NH1 3.63Å; E170-R201 PolarHBondContact OE2-NH1 2.93Å; E170-R201 IonicContact OE2-NH2 2.69Å; E170-R201 PolarHBondContact OE2-NH2 3.1Å
171L49.5Very low60.1Low132 Ų13281.9 Ų81.969%0.69140%0.402SS*.Hα-helixtrans-65.1-20.3179.6-73.9169.1000114.1D167 E169 P175D167-L171 WeakPolarHBondContact O-CD1 3.36Å; D167-L171 VanDerWaalsContact O-CG 3.29Å; D167-L171 WeakPolarHBondContact O-CG 3.48Å; D167-L171 PolarHBondContact O-N 2.75Å; E169-L171 PolarHBondContact O-N 2.77Å; L171-P175 WeakPolarHBondContact O-CG 3.49Å
172T56.2Low60.6Low64 Ų6479.1 Ų79.139%0.39338%0.383SS..Hα-helixtrans-114.3-32.3-176.354.20000113.7T168 E169 E170 R176T168-T172 PolarHBondContact O-OG1 2.81Å; E169-T172 PolarHBondContact O-N 2.57Å; E169-T172 PolarHBondContact O-OG1 2.92Å; E170-T172 PolarHBondContact O-N 3.38Å; T172-R176 VanDerWaalsContact O-CD 3.32Å; T172-R176 WeakPolarHBondContact O-CD 3.44Å; T172-R176 VanDerWaalsContact O-CG 3.23Å; T172-R176 WeakPolarHBondContact O-CG 3.46Å
173F64.5Low61.2Low95 Ų9574.5 Ų74.542%0.41736%0.362SS..Hα-helixtrans-79.4-43.8-177.5-77-124.9000112.1E169 R177E169-F173 HydrophobicContact CB-CD2 3.9Å; E169-F173 HydrophobicContact CB-CE2 3.84Å; E169-F173 HydrophobicContact CG-CD2 4.37Å; E169-F173 HydrophobicContact CG-CE2 3.83Å; E169-F173 HydrophobicContact CG-CZ 4.48Å; E169-F173 WeakPolarHBondContact O-CB 3.43Å; E169-F173 WeakPolarHBondContact O-CD2 3.39Å; E169-F173 PolarHBondContact O-N 3.47Å; F173-R177 PolarHBondContact O-N 2.97Å; F173-R177 VanDerWaalsContact O-N 3.16Å
174L66.6Low62.1Low1 Ų168.4 Ų68.41%0.00535%0.346CS..Hα-helixtrans-66.7-48.4-177.6-59.7174.9000112.1E170 R176 R177 I178 T197 F200E170-L174 PolarHBondContact O-N 2.96Å; L174-R176 VanDerWaalsContact C-N 3.32Å; L174-R176 PolarHBondContact O-N 2.98Å; L174-R177 PolarHBondContact O-N 3.16Å; L174-R177 VanDerWaalsContact O-N 3.13Å; L174-I178 VanDerWaalsContact O-CG1 3.28Å; L174-I178 WeakPolarHBondContact O-CG1 3.14Å; L174-I178 PolarHBondContact O-N 2.8Å; L174-T197 HydrophobicContact CB-CG2 3.79Å; L174-T197 HydrophobicContact CD1-CG2 4.22Å; L174-F200 HydrophobicContact CD2-CE1 4.15Å
175P62.3Low63Low27 Ų2763.7 Ų63.718%0.17532%0.324CS..Hα-helixtrans-61.2-37.8178.1-25.437.5000113L171 R177 I178 L179L171-P175 WeakPolarHBondContact O-CG 3.49Å; P175-R177 VanDerWaalsContact C-N 3.34Å; P175-R177 PolarHBondContact O-N 3.38Å; P175-I178 PolarHBondContact O-N 3.46Å; P175-L179 WeakPolarHBondContact O-CB 3.41Å; P175-L179 WeakPolarHBondContact O-CD1 3.45Å; P175-L179 VanDerWaalsContact O-CG 3.26Å; P175-L179 WeakPolarHBondContact O-CG 3.41Å; P175-L179 PolarHBondContact O-N 3.49Å
176R64.7Low64Low177 Ų17762.2 Ų62.267%0.66832%0.316SS*.Hα-helixtrans-64-34.5176-75.5177.5175.7-176.9-0.7113.2T172 L174T172-R176 VanDerWaalsContact O-CD 3.32Å; T172-R176 WeakPolarHBondContact O-CD 3.44Å; T172-R176 VanDerWaalsContact O-CG 3.23Å; T172-R176 WeakPolarHBondContact O-CG 3.46Å; L174-R176 VanDerWaalsContact C-N 3.32Å; L174-R176 PolarHBondContact O-N 2.98Å
177R69.3Low65.3Low55 Ų5563 Ų6321%0.20831%0.312CS..Hα-helixtrans-69.9-45.2172.2-73.9176.3172.9158.1-0.8111Y157 F173 L174 P175 R180 L181Y157-R177 HydrophobicContact CE2-CG 3.99Å; F173-R177 PolarHBondContact O-N 2.97Å; F173-R177 VanDerWaalsContact O-N 3.16Å; L174-R177 PolarHBondContact O-N 3.16Å; L174-R177 VanDerWaalsContact O-N 3.13Å; P175-R177 VanDerWaalsContact C-N 3.34Å; P175-R177 PolarHBondContact O-N 3.38Å; R177-R180 PolarHBondContact O-N 3.14Å; R177-L181 VanDerWaalsContact O-CG 3.32Å; R177-L181 WeakPolarHBondContact O-CG 3.37Å; R177-L181 PolarHBondContact O-N 3.21Å
178I70.9Confident66.1Low1 Ų162.7 Ų62.71%0.00531%0.314CS..Hα-helixtrans-63-43.9-179.9-62.2163.7000111.4L174 P175 R180 L181 I182 W187 V196 T197 F200L174-I178 VanDerWaalsContact O-CG1 3.28Å; L174-I178 WeakPolarHBondContact O-CG1 3.14Å; L174-I178 PolarHBondContact O-N 2.8Å; P175-I178 PolarHBondContact O-N 3.46Å; I178-R180 PolarHBondContact O-N 3.01Å; I178-R180 VanDerWaalsContact O-N 3.14Å; I178-L181 PolarHBondContact O-N 3.45Å; I178-I182 HydrophobicContact CG2-CD1 3.47Å; I178-I182 VanDerWaalsContact CG2-CD1 3.47Å; I178-I182 HydrophobicContact CG2-CG1 3.96Å; I178-I182 PolarHBondContact O-N 3.36Å; I178-W187 HydrophobicContact CG2-CH2 3.78Å; I178-W187 HydrophobicContact CG2-CZ2 3.9Å; I178-V196 HydrophobicContact CG2-CG1 4.16Å; I178-T197 HydrophobicContact CD1-CG2 3.98Å; I178-F200 HydrophobicContact CD1-CB 3.82Å; I178-F200 HydrophobicContact CD1-CD1 3.7Å; I178-F200 HydrophobicContact CD1-CD2 4.34Å; I178-F200 HydrophobicContact CD1-CE1 4.34Å; I178-F200 HydrophobicContact CD1-CG 3.7Å; I178-F200 HydrophobicContact CG1-CB 4.19Å; I178-F200 HydrophobicContact CG1-CD1 3.74Å; I178-F200 HydrophobicContact CG1-CD2 3.77Å; I178-F200 HydrophobicContact CG1-CE1 3.99Å; I178-F200 HydrophobicContact CG1-CE2 4Å; I178-F200 HydrophobicContact CG1-CG 3.62Å; I178-F200 HydrophobicContact CG1-CZ 4.1Å
179L64.8Low66.9Low81 Ų8163 Ų6342%0.42431%0.309SS..Hα-helixtrans-56.5-26.6176.4-78.5163.2000114P175 W187P175-L179 WeakPolarHBondContact O-CB 3.41Å; P175-L179 WeakPolarHBondContact O-CD1 3.45Å; P175-L179 VanDerWaalsContact O-CG 3.26Å; P175-L179 WeakPolarHBondContact O-CG 3.41Å; P175-L179 PolarHBondContact O-N 3.49Å; L179-W187 HydrophobicContact CB-CZ2 4.38Å; L179-W187 HydrophobicContact CD2-CD2 4.11Å; L179-W187 HydrophobicContact CD2-CE3 4.04Å; L179-W187 HydrophobicContact CD2-CH2 3.64Å; L179-W187 HydrophobicContact CD2-CZ2 3.7Å; L179-W187 HydrophobicContact CD2-CZ3 3.81Å; L179-W187 HydrophobicContact CG-CH2 3.88Å; L179-W187 HydrophobicContact CG-CZ2 4.05Å; L179-W187 HydrophobicContact CG-CZ3 4.42Å
180R74.2Confident67.8Low141 Ų14160.4 Ų60.453%0.53230%0.297SS..THydrogen-bonded Turntrans-92.9-5.8177.5-71.2178.2170.6166.5-0.2114.1R177 I178 N817R177-R180 PolarHBondContact O-N 3.14Å; I178-R180 PolarHBondContact O-N 3.01Å; I178-R180 VanDerWaalsContact O-N 3.14Å; R180-N817 PolarHBondContact NH2-OD1 2.87Å
181L78.6Confident68.6Low17 Ų1768.3 Ų68.39%0.08933%0.333CS..THydrogen-bonded Turntrans-128.1-6-168.9-63.4177.3000114.4A149 A152 S153 R177 I178A149-L181 HydrophobicContact CB-CB 3.67Å; A152-L181 HydrophobicContact CB-CD1 4.37Å; A152-L181 HydrophobicContact CB-CD2 4.08Å; S153-L181 WeakPolarHBondContact OG-CD1 3.24Å; R177-L181 VanDerWaalsContact O-CG 3.32Å; R177-L181 WeakPolarHBondContact O-CG 3.37Å; R177-L181 PolarHBondContact O-N 3.21Å; I178-L181 PolarHBondContact O-N 3.45Å
182I79.3Confident69.6Low5 Ų565 Ų653%0.02632%0.322CS..SBendtrans-106.5129.2169.6-65.6-172.9000109.4I146 A149 I178 L186 W187 V196I146-I182 HydrophobicContact CG1-CD1 3.97Å; A149-I182 HydrophobicContact CB-CG1 4.34Å; I178-I182 HydrophobicContact CG2-CD1 3.47Å; I178-I182 VanDerWaalsContact CG2-CD1 3.47Å; I178-I182 HydrophobicContact CG2-CG1 3.96Å; I178-I182 PolarHBondContact O-N 3.36Å; I182-L186 HydrophobicContact CG2-CB 3.88Å; I182-L186 HydrophobicContact CG2-CD1 4.18Å; I182-W187 HydrophobicContact CB-CZ2 4.02Å; I182-W187 HydrophobicContact CD1-CZ2 4.46Å; I182-W187 HydrophobicContact CG2-CZ2 4.46Å; I182-W187 PolarHBondContact O-NE1 3.45Å; I182-V196 HydrophobicContact CD1-CG1 4.06Å
183P77.1Confident70.6Confident2 Ų265.2 Ų65.21%0.01332%0.323CS..  trans-51139.3177.2-28.133.8000113.9I122 L123 Q185 L186I122-P183 HydrophobicContact CG2-CG 3.88Å; I122-P183 VanDerWaalsContact O-CG 3.32Å; I122-P183 WeakPolarHBondContact O-CG 3.37Å; L123-P183 HydrophobicContact CD2-CG 4.3Å; P183-Q185 PolarHBondContact O-N 3.06Å; P183-Q185 VanDerWaalsContact O-N 3.12Å; P183-L186 HydrophobicContact CG-CD1 4.4Å; P183-L186 PolarHBondContact O-N 3.04Å
184A72.1Confident71Confident72 Ų7268.2 Ų68.260%0.59534%0.338SS*.G310 helixtrans-52.4-39.7-173.600000113.4L186 W187A184-L186 VanDerWaalsContact C-N 3.27Å; A184-L186 PolarHBondContact O-N 3.31Å; A184-W187 PolarHBondContact O-N 2.88Å
185Q69.2Low71.6Confident46 Ų4669.9 Ų69.922%0.21536%0.356CS..G310 helixtrans-60.3-34.1-178.2-5093.9-50.700112.7D137 P183 W187 T188D137-Q185 PolarHBondContact OD1-NE2 2.98Å; P183-Q185 PolarHBondContact O-N 3.06Å; P183-Q185 VanDerWaalsContact O-N 3.12Å; Q185-W187 VanDerWaalsContact C-N 3.33Å; Q185-W187 PolarHBondContact O-N 3.27Å; Q185-T188 PolarHBondContact O-OG1 3.01Å
186L74.1Confident72.5Confident3 Ų369.1 Ų69.12%0.01635%0.35CS..G310 helixtrans-75.2-19.2-175.1-72.9173.5000113.5A145 I182 P183 A184 T188 Q189A145-L186 HydrophobicContact CB-CD1 3.56Å; I182-L186 HydrophobicContact CG2-CB 3.88Å; I182-L186 HydrophobicContact CG2-CD1 4.18Å; P183-L186 HydrophobicContact CG-CD1 4.4Å; P183-L186 PolarHBondContact O-N 3.04Å; A184-L186 VanDerWaalsContact C-N 3.27Å; A184-L186 PolarHBondContact O-N 3.31Å; L186-T188 PolarHBondContact O-N 3.08Å; L186-Q189 WeakPolarHBondContact O-CB 3.47Å; L186-Q189 PolarHBondContact O-N 3.48Å
187W73.2Confident73.3Confident64 Ų6461.5 Ų61.524%0.24232%0.324CS..G310 helixtrans-62.5-26.4177.6-72.190.3000112.8I178 L179 I182 A184 Q185 Q189 I190I178-W187 HydrophobicContact CG2-CH2 3.78Å; I178-W187 HydrophobicContact CG2-CZ2 3.9Å; L179-W187 HydrophobicContact CB-CZ2 4.38Å; L179-W187 HydrophobicContact CD2-CD2 4.11Å; L179-W187 HydrophobicContact CD2-CE3 4.04Å; L179-W187 HydrophobicContact CD2-CH2 3.64Å; L179-W187 HydrophobicContact CD2-CZ2 3.7Å; L179-W187 HydrophobicContact CD2-CZ3 3.81Å; L179-W187 HydrophobicContact CG-CH2 3.88Å; L179-W187 HydrophobicContact CG-CZ2 4.05Å; L179-W187 HydrophobicContact CG-CZ3 4.42Å; I182-W187 HydrophobicContact CB-CZ2 4.02Å; I182-W187 HydrophobicContact CD1-CZ2 4.46Å; I182-W187 HydrophobicContact CG2-CZ2 4.46Å; I182-W187 PolarHBondContact O-NE1 3.45Å; A184-W187 PolarHBondContact O-N 2.88Å; Q185-W187 VanDerWaalsContact C-N 3.33Å; Q185-W187 PolarHBondContact O-N 3.27Å; W187-Q189 PolarHBondContact O-N 3.13Å; W187-I190 HydrophobicContact CD2-CD1 3.94Å; W187-I190 HydrophobicContact CE3-CD1 3.68Å; W187-I190 HydrophobicContact CH2-CD1 4.24Å; W187-I190 HydrophobicContact CZ2-CD1 4.46Å; W187-I190 HydrophobicContact CZ3-CD1 3.85Å; W187-I190 PolarHBondContact O-N 3.02Å
188T69.3Low73.9Confident122 Ų12263 Ų6375%0.74833%0.333SS*.G310 helixtrans-62.5-18.2172.464.60000114Q185 L186Q185-T188 PolarHBondContact O-OG1 3.01Å; L186-T188 PolarHBondContact O-N 3.08Å
189Q66.5Low74.6Confident111 Ų11167.1 Ų67.152%0.51935%0.351SS..G310 helixtrans-103-1.1-177.6-57.1179.6-0.800112.9L186 W187 H191L186-Q189 WeakPolarHBondContact O-CB 3.47Å; L186-Q189 PolarHBondContact O-N 3.48Å; W187-Q189 PolarHBondContact O-N 3.13Å; Q189-H191 PolarHBondContact O-N 3.25Å
190I71.2Confident75.7Confident25 Ų2563.2 Ų63.213%0.12833%0.331CS..  trans-90.791.2-174.8-64.1176.5000109.9L142 W187 S192 V196L142-I190 HydrophobicContact CD1-CD1 4.04Å; L142-I190 HydrophobicContact CD1-CG1 4.06Å; L142-I190 HydrophobicContact CD2-CG1 4.18Å; W187-I190 HydrophobicContact CD2-CD1 3.94Å; W187-I190 HydrophobicContact CE3-CD1 3.68Å; W187-I190 HydrophobicContact CH2-CD1 4.24Å; W187-I190 HydrophobicContact CZ2-CD1 4.46Å; W187-I190 HydrophobicContact CZ3-CD1 3.85Å; W187-I190 PolarHBondContact O-N 3.02Å; I190-S192 VanDerWaalsContact C-N 3.26Å; I190-S192 PolarHBondContact O-N 3.5Å; I190-V196 HydrophobicContact CD1-CG1 4.44Å; I190-V196 HydrophobicContact CD1-CG2 4.2Å; I190-V196 HydrophobicContact CG1-CG2 4.12Å; I190-V196 HydrophobicContact CG2-CB 4.44Å; I190-V196 HydrophobicContact CG2-CG2 3.74Å
191H65.9Low76.2Confident193 Ų19359 Ų5989%0.89432%0.315SS*.SBendtrans-69.4-19.1174.6-57.6-57.8000113.9Q189Q189-H191 PolarHBondContact O-N 3.25Å
192S72.2Confident76.6Confident64 Ų6463.3 Ų63.345%0.44833%0.334SS..  trans-149.2110.3174.8176.40000111.8I190 Q194 G195 V196I190-S192 VanDerWaalsContact C-N 3.26Å; I190-S192 PolarHBondContact O-N 3.5Å; S192-Q194 PolarHBondContact O-N 3Å; S192-Q194 PolarHBondContact OG-N 3.1Å; S192-G195 PolarHBondContact O-N 3.19Å; S192-G195 PolarHBondContact OG-N 2.95Å; S192-V196 PolarHBondContact O-N 3.29Å
193T75.6Confident77.1Confident67 Ų6766.1 Ų66.141%0.41135%0.347SS..Hα-helixtrans-59.8-32.9173.5-47.40000111.8T197T193-T197 VanDerWaalsContact O-CB 3.32Å; T193-T197 WeakPolarHBondContact O-CB 3.24Å; T193-T197 PolarHBondContact O-N 2.93Å; T193-T197 PolarHBondContact O-OG1 2.98Å
194Q73.2Confident77.7Confident158 Ų15866.1 Ų66.174%0.73835%0.347SS*.Hα-helixtrans-67.5-45179.1-168.9178.912.300111.5S192 V196 T197 Q198S192-Q194 PolarHBondContact O-N 3Å; S192-Q194 PolarHBondContact OG-N 3.1Å; Q194-V196 PolarHBondContact O-N 3.1Å; Q194-T197 PolarHBondContact O-N 2.87Å; Q194-Q198 PolarHBondContact O-N 2.97Å
195G79.8Confident78.5Confident37 Ų3766.3 Ų66.338%0.38133%0.334SS..Hα-helixtrans-63.3-39.4176.700000113.1S192 Q198 K199S192-G195 PolarHBondContact O-N 3.19Å; S192-G195 PolarHBondContact OG-N 2.95Å; G195-Q198 PolarHBondContact O-N 3.13Å; G195-K199 PolarHBondContact O-N 3.38Å; G195-K199 VanDerWaalsContact O-N 3.11Å
196V81.7Confident79.6Confident10 Ų1068 Ų686%0.06135%0.352CS..Hα-helixtrans-65.1-42172.7170.50000111.5L142 I146 I178 I182 I190 S192 Q194 Q198 K199 F200L142-V196 HydrophobicContact CD2-CG2 4.35Å; I146-V196 HydrophobicContact CD1-CB 4.43Å; I146-V196 HydrophobicContact CD1-CG1 3.92Å; I146-V196 HydrophobicContact CD1-CG2 4.28Å; I146-V196 HydrophobicContact CG1-CG1 4.05Å; I178-V196 HydrophobicContact CG2-CG1 4.16Å; I182-V196 HydrophobicContact CD1-CG1 4.06Å; I190-V196 HydrophobicContact CD1-CG1 4.44Å; I190-V196 HydrophobicContact CD1-CG2 4.2Å; I190-V196 HydrophobicContact CG1-CG2 4.12Å; I190-V196 HydrophobicContact CG2-CB 4.44Å; I190-V196 HydrophobicContact CG2-CG2 3.74Å; S192-V196 PolarHBondContact O-N 3.29Å; Q194-V196 PolarHBondContact O-N 3.1Å; V196-Q198 VanDerWaalsContact C-N 3.33Å; V196-Q198 PolarHBondContact O-N 3.25Å; V196-K199 PolarHBondContact O-N 3.15Å; V196-F200 VanDerWaalsContact O-CB 3.31Å; V196-F200 WeakPolarHBondContact O-CB 3.2Å; V196-F200 PolarHBondContact O-N 3.49Å
197T81.7Confident80.4Confident18 Ų1868.7 Ų68.711%0.1136%0.355CS..Hα-helixtrans-65.2-36.6178.3-570000111.9L174 I178 T193 Q194 R201L174-T197 HydrophobicContact CB-CG2 3.79Å; L174-T197 HydrophobicContact CD1-CG2 4.22Å; I178-T197 HydrophobicContact CD1-CG2 3.98Å; T193-T197 VanDerWaalsContact O-CB 3.32Å; T193-T197 WeakPolarHBondContact O-CB 3.24Å; T193-T197 PolarHBondContact O-N 2.93Å; T193-T197 PolarHBondContact O-OG1 2.98Å; Q194-T197 PolarHBondContact O-N 2.87Å; T197-R201 WeakPolarHBondContact O-CB 3.37Å; T197-R201 PolarHBondContact O-N 2.92Å
198Q81.9Confident81.2Confident85 Ų8572.3 Ų72.340%0.39737%0.372SS..Hα-helixtrans-67.9-49.1175.5-177.459.119.800112.1Q194 G195 V196 F200 R201 E202Q194-Q198 PolarHBondContact O-N 2.97Å; G195-Q198 PolarHBondContact O-N 3.13Å; V196-Q198 VanDerWaalsContact C-N 3.33Å; V196-Q198 PolarHBondContact O-N 3.25Å; Q198-F200 VanDerWaalsContact C-N 3.27Å; Q198-F200 PolarHBondContact O-N 3.49Å; Q198-R201 WeakPolarHBondContact O-CB 3.36Å; Q198-R201 PolarHBondContact O-N 2.9Å; Q198-R201 VanDerWaalsContact O-N 3.14Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.38Å; Q198-E202 PolarHBondContact NE2-OE1 3.18Å; Q198-E202 WeakPolarHBondContact O-CG 3.47Å; Q198-E202 PolarHBondContact O-N 3.41Å
199K85.3Confident82Confident88 Ų8869.5 Ų69.538%0.38337%0.367SS..Hα-helixtrans-55.9-42.8173.1-76.4-176.3170.1-174.60112.1D143 I146 G195 V196 E202 H203D143-K199 IonicContact OD1-NZ 2.78Å; D143-K199 PolarHBondContact OD1-NZ 3.21Å; D143-K199 IonicContact OD2-NZ 2.7Å; I146-K199 HydrophobicContact CD1-CB 4.34Å; I146-K199 HydrophobicContact CD1-CD 4.22Å; I146-K199 HydrophobicContact CG2-CB 4.18Å; G195-K199 PolarHBondContact O-N 3.38Å; G195-K199 VanDerWaalsContact O-N 3.11Å; V196-K199 PolarHBondContact O-N 3.15Å; K199-E202 PolarHBondContact O-N 3.03Å; K199-H203 PolarHBondContact O-CD2 3.18Å; K199-H203 PolarHBondContact O-N 2.75Å
200F87.8Confident83.2Confident0 Ų065.3 Ų65.30%035%0.348CS..Hα-helixtrans-61.7-45.9176.3173.3-91.8000112I146 A149 S153 L174 I178 V196 Q198 H203 Y204I146-F200 HydrophobicContact CG2-CB 3.95Å; A149-F200 HydrophobicContact CB-CD2 4.14Å; A149-F200 HydrophobicContact CB-CE2 3.95Å; S153-F200 WeakPolarHBondContact OG-CZ 3.17Å; L174-F200 HydrophobicContact CD2-CE1 4.15Å; I178-F200 HydrophobicContact CD1-CB 3.82Å; I178-F200 HydrophobicContact CD1-CD1 3.7Å; I178-F200 HydrophobicContact CD1-CD2 4.34Å; I178-F200 HydrophobicContact CD1-CE1 4.34Å; I178-F200 HydrophobicContact CD1-CG 3.7Å; I178-F200 HydrophobicContact CG1-CB 4.19Å; I178-F200 HydrophobicContact CG1-CD1 3.74Å; I178-F200 HydrophobicContact CG1-CD2 3.77Å; I178-F200 HydrophobicContact CG1-CE1 3.99Å; I178-F200 HydrophobicContact CG1-CE2 4Å; I178-F200 HydrophobicContact CG1-CG 3.62Å; I178-F200 HydrophobicContact CG1-CZ 4.1Å; V196-F200 VanDerWaalsContact O-CB 3.31Å; V196-F200 WeakPolarHBondContact O-CB 3.2Å; V196-F200 PolarHBondContact O-N 3.49Å; Q198-F200 VanDerWaalsContact C-N 3.27Å; Q198-F200 PolarHBondContact O-N 3.49Å; F200-H203 PolarHBondContact O-N 2.87Å; F200-Y204 AromaticContact CE1-CD1 3.98Å; F200-Y204 HydrophobicContact CE1-CD1 3.98Å; F200-Y204 HydrophobicContact CZ-CD1 4.16Å; F200-Y204 VanDerWaalsContact O-CB 3.32Å; F200-Y204 WeakPolarHBondContact O-CB 3.42Å; F200-Y204 PolarHBondContact O-N 2.86Å
201R85.1Confident84Confident52 Ų5267 Ų6720%0.19636%0.357CS..Hα-helixtrans-58.8-47.7176.6179.4-163.9-68.2-1251.6111.3E170 T197 Q198 Y204 K205E170-R201 VanDerWaalsContact CD-NH2 3.25Å; E170-R201 IonicContact OE1-CZ 3.31Å; E170-R201 VanDerWaalsContact OE1-CZ 3.31Å; E170-R201 IonicContact OE1-NH1 3.72Å; E170-R201 PolarHBondContact OE1-NH1 2.91Å; E170-R201 IonicContact OE1-NH2 3.44Å; E170-R201 PolarHBondContact OE1-NH2 3.1Å; E170-R201 IonicContact OE2-CZ 3.13Å; E170-R201 IonicContact OE2-NH1 3.63Å; E170-R201 PolarHBondContact OE2-NH1 2.93Å; E170-R201 IonicContact OE2-NH2 2.69Å; E170-R201 PolarHBondContact OE2-NH2 3.1Å; T197-R201 WeakPolarHBondContact O-CB 3.37Å; T197-R201 PolarHBondContact O-N 2.92Å; Q198-R201 WeakPolarHBondContact O-CB 3.36Å; Q198-R201 PolarHBondContact O-N 2.9Å; Q198-R201 VanDerWaalsContact O-N 3.14Å; R201-Y204 PolarHBondContact O-N 3.4Å; R201-K205 HydrophobicContact CG-CD 4.45Å; R201-K205 WeakPolarHBondContact O-CB 3.5Å; R201-K205 WeakPolarHBondContact O-CG 3.25Å; R201-K205 PolarHBondContact O-N 2.91Å
202E87.2Confident85.2Confident107 Ų10763.5 Ų63.550%0.534%0.336SS..Hα-helixtrans-60.7-48179.1-72.1165.7-175.100111.8Q198 K199 S206Q198-E202 WeakPolarHBondContact CG-OE1 3.38Å; Q198-E202 PolarHBondContact NE2-OE1 3.18Å; Q198-E202 WeakPolarHBondContact O-CG 3.47Å; Q198-E202 PolarHBondContact O-N 3.41Å; K199-E202 PolarHBondContact O-N 3.03Å; E202-S206 PolarHBondContact O-N 2.97Å; E202-S206 VanDerWaalsContact O-N 3.1Å
203H89.7Confident86.2Confident64 Ų6462.6 Ų62.630%0.29633%0.327SS..Hα-helixtrans-62.8-42.2174.6-74.7-53.5000112.4K199 F200 S206 H207K199-H203 PolarHBondContact O-CD2 3.18Å; K199-H203 PolarHBondContact O-N 2.75Å; F200-H203 PolarHBondContact O-N 2.87Å; H203-S206 WeakPolarHBondContact O-CB 3.28Å; H203-S206 PolarHBondContact O-N 3.37Å; H203-S206 PolarHBondContact O-OG 3.13Å; H203-H207 PolarHBondContact O-CD2 3.42Å; H203-H207 PolarHBondContact O-NE2 3.1Å
204Y89.5Confident87Confident2 Ų264.7 Ų64.71%0.00833%0.33CS..Hα-helixtrans-65.4-45179.7-166.3-175.6000111.5Q154 G158 L160 F200 R201 S206 H207Q154-Y204 HydrophobicContact CB-CD2 4.49Å; Q154-Y204 HydrophobicContact CB-CE2 4.18Å; G158-Y204 VanDerWaalsContact O-CE2 3.25Å; G158-Y204 WeakPolarHBondContact O-CE2 3.28Å; G158-Y204 PolarHBondContact O-OH 3.39Å; L160-Y204 HydrophobicContact CB-CD1 4.42Å; L160-Y204 HydrophobicContact CB-CD2 4.49Å; L160-Y204 HydrophobicContact CB-CE1 4.31Å; L160-Y204 HydrophobicContact CB-CE2 4.35Å; L160-Y204 HydrophobicContact CB-CG 4.5Å; L160-Y204 HydrophobicContact CD1-CD1 4.18Å; L160-Y204 HydrophobicContact CD1-CE1 3.9Å; L160-Y204 HydrophobicContact CD2-CD1 4.46Å; F200-Y204 AromaticContact CE1-CD1 3.98Å; F200-Y204 HydrophobicContact CE1-CD1 3.98Å; F200-Y204 HydrophobicContact CZ-CD1 4.16Å; F200-Y204 VanDerWaalsContact O-CB 3.32Å; F200-Y204 WeakPolarHBondContact O-CB 3.42Å; F200-Y204 PolarHBondContact O-N 2.86Å; R201-Y204 PolarHBondContact O-N 3.4Å; Y204-S206 PolarHBondContact O-N 2.94Å; Y204-H207 PolarHBondContact O-N 2.95Å
205K88.8Confident88Confident76 Ų7657.2 Ų57.233%0.3330%0.295SS..Hα-helixtrans-56.5-35.5172.6-73.4-170.6178.2-146.60112.3L160 E162 R201 H207 K208L160-K205 HydrophobicContact CD2-CG 3.85Å; E162-K205 VanDerWaalsContact OE1-CD 3.26Å; E162-K205 WeakPolarHBondContact OE1-CD 3.38Å; E162-K205 WeakPolarHBondContact OE1-CE 3.37Å; E162-K205 IonicContact OE1-NZ 3.38Å; E162-K205 PolarHBondContact OE1-NZ 3.3Å; E162-K205 IonicContact OE2-NZ 2.76Å; E162-K205 PolarHBondContact OE2-NZ 2.77Å; R201-K205 HydrophobicContact CG-CD 4.45Å; R201-K205 WeakPolarHBondContact O-CB 3.5Å; R201-K205 WeakPolarHBondContact O-CG 3.25Å; R201-K205 PolarHBondContact O-N 2.91Å; K205-H207 PolarHBondContact O-N 3.01Å; K205-K208 PolarHBondContact O-N 3.34Å
206S91.9Very high88.8Confident83 Ų8355.7 Ų55.758%0.5828%0.278SS*.Hα-helixtrans-66.6-16.8177.782.50000114.9E202 H203 Y204E202-S206 PolarHBondContact O-N 2.97Å; E202-S206 VanDerWaalsContact O-N 3.1Å; H203-S206 WeakPolarHBondContact O-CB 3.28Å; H203-S206 PolarHBondContact O-N 3.37Å; H203-S206 PolarHBondContact O-OG 3.13Å; Y204-S206 PolarHBondContact O-N 2.94Å
207H91.4Very high89.4Confident17 Ų1756 Ų568%0.07928%0.279CS..THydrogen-bonded Turntrans-921.6-179.7-58.8-42.4000114.3S150 Q154 H203 Y204 K205 G209 M210S150-H207 PolarHBondContact OG-NE2 3.21Å; Q154-H207 HydrophobicContact CB-CB 4.29Å; Q154-H207 HydrophobicContact CG-CB 3.89Å; Q154-H207 PolarHBondContact NE2-O 2.96Å; H203-H207 PolarHBondContact O-CD2 3.42Å; H203-H207 PolarHBondContact O-NE2 3.1Å; Y204-H207 PolarHBondContact O-N 2.95Å; K205-H207 PolarHBondContact O-N 3.01Å; H207-G209 PolarHBondContact O-N 3.46Å; H207-M210 HydrophobicContact CB-CB 4.45Å; H207-M210 HydrophobicContact CB-CE 3.93Å; H207-M210 WeakPolarHBondContact ND1-CE 3.38Å; H207-M210 WeakPolarHBondContact O-CB 3.39Å; H207-M210 PolarHBondContact O-N 3.24Å
208K89Confident90.1Very high139 Ų13957.6 Ų57.660%0.60429%0.285SS*.THydrogen-bonded Turntrans-52132-177.4-169.7166.9-176.1164.80112.5D159 K205 M210D159-K208 HydrophobicContact CB-CG 4.41Å; D159-K208 WeakPolarHBondContact OD1-CA 3.33Å; K205-K208 PolarHBondContact O-N 3.34Å; K208-M210 VanDerWaalsContact C-N 3.35Å
209G86.1Confident90.7Very high63 Ų6353.9 Ų53.965%0.64927%0.268SS*.THydrogen-bonded Turntrans82.71.1-172.200000114.7D159 H207 N211D159-G209 PolarHBondContact OD1-N 2.9Å; D159-G209 PolarHBondContact OD2-N 3.29Å; H207-G209 PolarHBondContact O-N 3.46Å; G209-N211 PolarHBondContact O-N 3.23Å
210M91.3Very high91.2Very high24 Ų2449.7 Ų49.712%0.11825%0.249CC..  trans-83.7109.2178.3-166.7179.6-42.300111.3L151 Q154 H207 K208 K214 A215 Q218L151-M210 HydrophobicContact CD2-CE 4.41Å; L151-M210 HydrophobicContact CD2-SD 4.27Å; Q154-M210 HydrophobicContact CG-CB 4.09Å; Q154-M210 PolarHBondContact NE2-O 3.27Å; H207-M210 HydrophobicContact CB-CB 4.45Å; H207-M210 HydrophobicContact CB-CE 3.93Å; H207-M210 WeakPolarHBondContact ND1-CE 3.38Å; H207-M210 WeakPolarHBondContact O-CB 3.39Å; H207-M210 PolarHBondContact O-N 3.24Å; K208-M210 VanDerWaalsContact C-N 3.35Å; M210-K214 HydrophobicContact CG-CB 3.85Å; M210-K214 HydrophobicContact CG-CD 3.82Å; M210-K214 HydrophobicContact CG-CG 3.7Å; M210-K214 HydrophobicContact SD-CG 4.05Å; M210-A215 HydrophobicContact CG-CB 4.28Å; M210-A215 VanDerWaalsContact SD-CA 3.58Å; M210-A215 HydrophobicContact SD-CB 4.01Å; M210-Q218 HydrophobicContact CE-CG 4.45Å; M210-Q218 HydrophobicContact SD-CG 3.95Å
211N89.4Confident91.6Very high60 Ų6052.8 Ų52.832%0.32126%0.263SS..  trans-63.9155.317570.933000112.5G209 D213 K214 A215G209-N211 PolarHBondContact O-N 3.23Å; N211-D213 VanDerWaalsContact C-N 3.33Å; N211-D213 PolarHBondContact O-N 3.35Å; N211-D213 WeakPolarHBondContact OD1-CB 3.48Å; N211-K214 WeakPolarHBondContact O-CA 3.36Å; N211-K214 WeakPolarHBondContact O-CB 3.31Å; N211-K214 PolarHBondContact O-N 3.38Å; N211-K214 VanDerWaalsContact OD1-CB 3.27Å; N211-K214 WeakPolarHBondContact OD1-CB 3.34Å; N211-K214 PolarHBondContact OD1-N 3.45Å; N211-A215 PolarHBondContact O-N 3Å
212R91.6Very high92Very high120 Ų12051.8 Ų51.845%0.45326%0.263SS..Hα-helixtrans-51-45.7-179.5173.6171.7167.6174-8.7113.5E19 A155 K214 A215 E216E19-R212 IonicContact OE1-NH2 2.65Å; A155-R212 VanDerWaalsContact O-CD 3.27Å; A155-R212 WeakPolarHBondContact O-CD 3.43Å; A155-R212 WeakPolarHBondContact O-CG 3.3Å; R212-K214 PolarHBondContact O-N 3.37Å; R212-A215 PolarHBondContact O-N 2.86Å; R212-E216 HydrophobicContact CG-CG 4.33Å; R212-E216 WeakPolarHBondContact CG-OE1 3.29Å; R212-E216 IonicContact CZ-OE1 3.61Å; R212-E216 IonicContact NE-OE1 2.76Å; R212-E216 PolarHBondContact NE-OE1 3.34Å; R212-E216 WeakPolarHBondContact O-CB 3.4Å; R212-E216 VanDerWaalsContact O-CG 3.31Å; R212-E216 WeakPolarHBondContact O-CG 3.42Å; R212-E216 PolarHBondContact O-N 3.05Å
213D91.5Very high92.2Very high45 Ų4547 Ų4724%0.24124%0.241CC..Hα-helixtrans-52.5-38.7174.9-107.2-49.8000112.8A108 R111 N211 L217A108-D213 WeakPolarHBondContact CB-OD1 3.39Å; R111-D213 WeakPolarHBondContact CD-O 3.48Å; R111-D213 IonicContact CZ-OD1 2.8Å; R111-D213 PolarHBondContact NE-O 2.89Å; R111-D213 IonicContact NE-OD1 3.84Å; R111-D213 IonicContact NH2-OD1 3.7Å; R111-D213 PolarHBondContact NH2-OD1 2.99Å; N211-D213 VanDerWaalsContact C-N 3.33Å; N211-D213 PolarHBondContact O-N 3.35Å; N211-D213 WeakPolarHBondContact OD1-CB 3.48Å; D213-L217 PolarHBondContact O-N 2.97Å
214K92.3Very high92.4Very high111 Ų11146.8 Ų46.848%0.48324%0.24SC..Hα-helixtrans-84.4-35.5-179.5-177.2178.1165.7-169.70112.1M210 N211 R212 L217 Q218M210-K214 HydrophobicContact CG-CB 3.85Å; M210-K214 HydrophobicContact CG-CD 3.82Å; M210-K214 HydrophobicContact CG-CG 3.7Å; M210-K214 HydrophobicContact SD-CG 4.05Å; N211-K214 WeakPolarHBondContact O-CA 3.36Å; N211-K214 WeakPolarHBondContact O-CB 3.31Å; N211-K214 PolarHBondContact O-N 3.38Å; N211-K214 VanDerWaalsContact OD1-CB 3.27Å; N211-K214 WeakPolarHBondContact OD1-CB 3.34Å; N211-K214 PolarHBondContact OD1-N 3.45Å; R212-K214 PolarHBondContact O-N 3.37Å; K214-L217 PolarHBondContact O-N 3.4Å; K214-Q218 WeakPolarHBondContact O-CG 3.17Å; K214-Q218 PolarHBondContact O-N 3.49Å; K214-Q218 PolarHBondContact O-NE2 2.82Å
215A95.5Very high92.3Very high0 Ų054.2 Ų54.20%028%0.277CS..Hα-helixtrans-64.9-46.4175.200000111.6Q154 A155 M210 N211 R212 L217 Q218 Y219Q154-A215 HydrophobicContact CB-CB 4.16Å; Q154-A215 HydrophobicContact CG-CB 3.9Å; A155-A215 HydrophobicContact CB-CB 3.96Å; M210-A215 HydrophobicContact CG-CB 4.28Å; M210-A215 VanDerWaalsContact SD-CA 3.58Å; M210-A215 HydrophobicContact SD-CB 4.01Å; N211-A215 PolarHBondContact O-N 3Å; R212-A215 PolarHBondContact O-N 2.86Å; A215-L217 VanDerWaalsContact C-N 3.28Å; A215-L217 PolarHBondContact O-N 3.41Å; A215-Q218 PolarHBondContact O-N 2.95Å; A215-Y219 WeakPolarHBondContact O-CB 3.37Å; A215-Y219 PolarHBondContact O-N 2.9Å
216E95.6Very high92.1Very high5 Ų553.3 Ų53.32%0.02327%0.274CS..Hα-helixtrans-59.5-38.5172.9-69174.3-163.700111.9R111 R112 Y115 A155 R212 L220R111-E216 HydrophobicContact CG-CB 4.1Å; R112-E216 VanDerWaalsContact CA-OE2 3.31Å; R112-E216 WeakPolarHBondContact CA-OE2 3.3Å; R112-E216 WeakPolarHBondContact CD-OE1 3.44Å; R112-E216 WeakPolarHBondContact CD-OE2 3.37Å; R112-E216 IonicContact CZ-OE1 3.46Å; R112-E216 IonicContact NE-OE1 3.57Å; R112-E216 IonicContact NH1-OE1 2.94Å; R112-E216 PolarHBondContact NH1-OE1 3.19Å; Y115-E216 HydrophobicContact CD1-CG 3.99Å; Y115-E216 HydrophobicContact CD2-CB 4.44Å; Y115-E216 HydrophobicContact CD2-CG 4.26Å; Y115-E216 HydrophobicContact CE1-CG 4.49Å; Y115-E216 HydrophobicContact CG-CB 4.19Å; Y115-E216 HydrophobicContact CG-CG 3.88Å; A155-E216 HydrophobicContact CB-CG 3.99Å; R212-E216 HydrophobicContact CG-CG 4.33Å; R212-E216 WeakPolarHBondContact CG-OE1 3.29Å; R212-E216 IonicContact CZ-OE1 3.61Å; R212-E216 IonicContact NE-OE1 2.76Å; R212-E216 PolarHBondContact NE-OE1 3.34Å; R212-E216 WeakPolarHBondContact O-CB 3.4Å; R212-E216 VanDerWaalsContact O-CG 3.31Å; R212-E216 WeakPolarHBondContact O-CG 3.42Å; R212-E216 PolarHBondContact O-N 3.05Å; E216-L220 WeakPolarHBondContact O-CG 3.36Å; E216-L220 PolarHBondContact O-N 2.66Å; E216-L220 VanDerWaalsContact O-N 3.1Å
217L94.9Very high91.5Very high18 Ų1854.9 Ų54.99%0.09428%0.276CS..Hα-helixtrans-68-42.6175.1-177.158.3000112.4V101 E102 D213 K214 A215 L220 K221V101-L217 HydrophobicContact CG2-CD1 4.33Å; E102-L217 HydrophobicContact CB-CD1 4.34Å; E102-L217 HydrophobicContact CG-CD2 4.33Å; D213-L217 PolarHBondContact O-N 2.97Å; K214-L217 PolarHBondContact O-N 3.4Å; A215-L217 VanDerWaalsContact C-N 3.28Å; A215-L217 PolarHBondContact O-N 3.41Å; L217-L220 PolarHBondContact O-N 2.85Å; L217-K221 HydrophobicContact CD1-CD 4.31Å; L217-K221 HydrophobicContact CD1-CG 4.37Å; L217-K221 HydrophobicContact CG-CD 4.09Å; L217-K221 VanDerWaalsContact O-CG 3.31Å; L217-K221 WeakPolarHBondContact O-CG 3.29Å; L217-K221 PolarHBondContact O-N 2.72Å
218Q95.5Very high91.1Very high50 Ų5054.3 Ų54.323%0.23427%0.273CS..Hα-helixtrans-66.3-39.4176.5-65.7-28.5-7100111.5L151 M210 K214 A215 L220 K221 V222L151-Q218 HydrophobicContact CD1-CB 4.09Å; L151-Q218 HydrophobicContact CD2-CB 3.87Å; M210-Q218 HydrophobicContact CE-CG 4.45Å; M210-Q218 HydrophobicContact SD-CG 3.95Å; K214-Q218 WeakPolarHBondContact O-CG 3.17Å; K214-Q218 PolarHBondContact O-N 3.49Å; K214-Q218 PolarHBondContact O-NE2 2.82Å; A215-Q218 PolarHBondContact O-N 2.95Å; Q218-L220 VanDerWaalsContact C-N 3.32Å; Q218-L220 PolarHBondContact O-N 2.91Å; Q218-K221 PolarHBondContact O-N 3.04Å; Q218-V222 WeakPolarHBondContact O-CG2 3.3Å; Q218-V222 PolarHBondContact O-N 3.38Å
219Y96.3Very high91Very high7 Ų748.9 Ų48.93%0.02725%0.25CC..Hα-helixtrans-55.9-48.5174-173-78.1000110.9Y115 V118 K119 I122 L148 L151 A152 A215 V222 A223Y115-Y219 AromaticContact CD2-CD1 3.6Å; Y115-Y219 HydrophobicContact CD2-CD1 3.6Å; Y115-Y219 HydrophobicContact CD2-CD2 4.27Å; Y115-Y219 HydrophobicContact CD2-CE1 4.19Å; Y115-Y219 AromaticContact CD2-CG 3.67Å; Y115-Y219 HydrophobicContact CD2-CG 3.67Å; Y115-Y219 AromaticContact CE2-CD1 3.92Å; Y115-Y219 HydrophobicContact CE2-CD1 3.92Å; Y115-Y219 AromaticContact CE2-CD2 3.79Å; Y115-Y219 HydrophobicContact CE2-CD2 3.79Å; Y115-Y219 HydrophobicContact CE2-CE1 4.29Å; Y115-Y219 HydrophobicContact CE2-CE2 4.16Å; Y115-Y219 AromaticContact CE2-CG 3.68Å; Y115-Y219 HydrophobicContact CE2-CG 3.68Å; V118-Y219 HydrophobicContact CG1-CE1 4.25Å; K119-Y219 WeakPolarHBondContact CA-OH 3.43Å; K119-Y219 HydrophobicContact CB-CE1 4.14Å; I122-Y219 HydrophobicContact CD1-CE1 4.39Å; L148-Y219 HydrophobicContact CB-CD2 4.2Å; L148-Y219 HydrophobicContact CB-CE2 3.68Å; L148-Y219 HydrophobicContact CD2-CD1 4.12Å; L148-Y219 HydrophobicContact CD2-CD2 3.69Å; L148-Y219 HydrophobicContact CD2-CE1 4.13Å; L148-Y219 HydrophobicContact CD2-CE2 3.72Å; L148-Y219 HydrophobicContact CD2-CG 3.89Å; L148-Y219 HydrophobicContact CG-CE2 4.27Å; L148-Y219 WeakPolarHBondContact O-CD2 3.41Å; L148-Y219 VanDerWaalsContact O-CE2 3.26Å; L148-Y219 WeakPolarHBondContact O-CE2 3.37Å; L151-Y219 HydrophobicContact CB-CD2 4.15Å; A152-Y219 HydrophobicContact CB-CD2 4.25Å; A152-Y219 HydrophobicContact CB-CE2 4.04Å; A215-Y219 WeakPolarHBondContact O-CB 3.37Å; A215-Y219 PolarHBondContact O-N 2.9Å; Y219-V222 PolarHBondContact O-N 3.45Å; Y219-A223 WeakPolarHBondContact O-CB 3.19Å; Y219-A223 PolarHBondContact O-N 3.37Å
220L95.7Very high91.1Very high0 Ų046.5 Ų46.50%023%0.225CC..Hα-helixtrans-64.4-38.3176.5-74.7173.6000113.1V101 L105 R111 F114 V118 E216 L217 Q218 A223 Q224V101-L220 HydrophobicContact CB-CB 4.29Å; V101-L220 HydrophobicContact CG1-CB 4.27Å; V101-L220 HydrophobicContact CG2-CB 4.11Å; L105-L220 HydrophobicContact CD1-CD1 3.97Å; R111-L220 HydrophobicContact CG-CD1 4.23Å; F114-L220 HydrophobicContact CB-CD1 3.87Å; F114-L220 HydrophobicContact CB-CD2 4.14Å; V118-L220 HydrophobicContact CB-CD2 4.08Å; V118-L220 HydrophobicContact CG1-CD2 4.46Å; V118-L220 HydrophobicContact CG2-CD2 3.85Å; E216-L220 WeakPolarHBondContact O-CG 3.36Å; E216-L220 PolarHBondContact O-N 2.66Å; E216-L220 VanDerWaalsContact O-N 3.1Å; L217-L220 PolarHBondContact O-N 2.85Å; Q218-L220 VanDerWaalsContact C-N 3.32Å; Q218-L220 PolarHBondContact O-N 2.91Å; L220-A223 PolarHBondContact O-N 3.11Å; L220-Q224 WeakPolarHBondContact O-CB 3.38Å; L220-Q224 PolarHBondContact O-N 3.45Å
221K95.2Very high91.1Very high66 Ų6645.8 Ų45.829%0.28722%0.222SC..Hα-helixtrans-66.1-38.5176.7-73.817466.3166.60112.5V101 E102 L217 Q218V101-K221 HydrophobicContact CG2-CB 4.46Å; V101-K221 HydrophobicContact CG2-CG 3.6Å; E102-K221 HydrophobicContact CB-CD 4.38Å; E102-K221 IonicContact OE1-NZ 2.71Å; E102-K221 PolarHBondContact OE1-NZ 2.76Å; E102-K221 WeakPolarHBondContact OE2-CE 3.43Å; E102-K221 IonicContact OE2-NZ 2.95Å; E102-K221 PolarHBondContact OE2-NZ 2.76Å; L217-K221 HydrophobicContact CD1-CD 4.31Å; L217-K221 HydrophobicContact CD1-CG 4.37Å; L217-K221 HydrophobicContact CG-CD 4.09Å; L217-K221 VanDerWaalsContact O-CG 3.31Å; L217-K221 WeakPolarHBondContact O-CG 3.29Å; L217-K221 PolarHBondContact O-N 2.72Å; Q218-K221 PolarHBondContact O-N 3.04Å
222V93.7Very high91Very high31 Ų3145.1 Ų45.119%0.18822%0.218CC..Hα-helixtrans-68.9-45.6173.5174.30000110.4V144 L147 L148 L151 Q218 Y219 Q224 M225V144-V222 HydrophobicContact CG1-CG1 3.93Å; L147-V222 HydrophobicContact CD2-CG1 4.21Å; L147-V222 HydrophobicContact CD2-CG2 4.09Å; L148-V222 HydrophobicContact CD2-CB 3.91Å; L148-V222 HydrophobicContact CD2-CG1 3.74Å; L148-V222 HydrophobicContact CG-CG1 3.97Å; L151-V222 HydrophobicContact CD1-CG2 4.16Å; Q218-V222 WeakPolarHBondContact O-CG2 3.3Å; Q218-V222 PolarHBondContact O-N 3.38Å; Y219-V222 PolarHBondContact O-N 3.45Å; V222-Q224 VanDerWaalsContact C-N 3.32Å; V222-Q224 PolarHBondContact O-N 2.94Å; V222-M225 WeakPolarHBondContact O-CB 3.48Å; V222-M225 PolarHBondContact O-N 3.19Å; V222-M225 VanDerWaalsContact O-N 3.13Å
223A92.3Very high90.9Very high5 Ų541 Ų414%0.04120%0.203CC..Hα-helixtrans-63.1-35.2178.300000113.1V118 I122 Y219 L220 M225 H226 F229V118-A223 HydrophobicContact CG1-CB 3.64Å; I122-A223 HydrophobicContact CD1-CB 4.18Å; Y219-A223 WeakPolarHBondContact O-CB 3.19Å; Y219-A223 PolarHBondContact O-N 3.37Å; L220-A223 PolarHBondContact O-N 3.11Å; A223-M225 PolarHBondContact O-N 3.43Å; A223-H226 WeakPolarHBondContact O-CB 3.49Å; A223-H226 PolarHBondContact O-N 3.47Å; A223-H226 VanDerWaalsContact O-N 3.15Å; A223-F229 HydrophobicContact CB-CD2 4.23Å; A223-F229 HydrophobicContact CB-CE2 4.24Å; A223-F229 WeakPolarHBondContact O-CD2 3.48Å
224Q92.4Very high90.7Very high61 Ų6139.6 Ų39.629%0.28520%0.195SC..Hα-helixtrans-62.8-23175.7-178.3174.1-7.100113E99 V101 L220 V222 H226 F229E99-Q224 PolarHBondContact O-NE2 3.21Å; V101-Q224 VanDerWaalsContact N-OE1 3.11Å; L220-Q224 WeakPolarHBondContact O-CB 3.38Å; L220-Q224 PolarHBondContact O-N 3.45Å; V222-Q224 VanDerWaalsContact C-N 3.32Å; V222-Q224 PolarHBondContact O-N 2.94Å; Q224-H226 PolarHBondContact O-N 3.48Å; Q224-F229 HydrophobicContact CB-CD1 4.26Å; Q224-F229 HydrophobicContact CB-CE1 4.12Å; Q224-F229 HydrophobicContact CB-CE2 4.41Å; Q224-F229 HydrophobicContact CB-CG 4.48Å; Q224-F229 HydrophobicContact CB-CZ 4.2Å; Q224-F229 HydrophobicContact CG-CD1 4.12Å; Q224-F229 HydrophobicContact CG-CE1 4.07Å
225M88.5Confident90.6Very high158 Ų15836.1 Ų36.178%0.77818%0.184SC*.THydrogen-bonded Turntrans-73.4-6.5176.5-65178.659.100113.7V222 A223V222-M225 WeakPolarHBondContact O-CB 3.48Å; V222-M225 PolarHBondContact O-N 3.19Å; V222-M225 VanDerWaalsContact O-N 3.13Å; A223-M225 PolarHBondContact O-N 3.43Å
226H84Confident90.3Very high56 Ų5636.3 Ų36.326%0.25919%0.185SC..SBendtrans-85.3129.2179.2-163.9-99000111.7A223 Q224 L228 F229A223-H226 WeakPolarHBondContact O-CB 3.49Å; A223-H226 PolarHBondContact O-N 3.47Å; A223-H226 VanDerWaalsContact O-N 3.15Å; Q224-H226 PolarHBondContact O-N 3.48Å; H226-L228 PolarHBondContact O-N 3.37Å; H226-F229 WeakPolarHBondContact O-CB 3.4Å; H226-F229 PolarHBondContact O-N 3.25Å
227N78.4Confident89.9Confident116 Ų11639.9 Ų39.962%0.6221%0.207SC*.THydrogen-bonded Turntrans-54.9-22.1-175-69.8-11.6000115.5
228L83.1Confident89.4Confident6 Ų644 Ų443%0.03122%0.222CC..THydrogen-bonded Turntrans-1005.6-178.6-41.5179.9000113.1D137 L138 H226 G230 F233 Q283D137-L228 VanDerWaalsContact O-CD1 3.3Å; D137-L228 WeakPolarHBondContact O-CD1 3.19Å; L138-L228 HydrophobicContact CD1-CB 3.91Å; L138-L228 HydrophobicContact CG-CB 4.11Å; H226-L228 PolarHBondContact O-N 3.37Å; L228-G230 PolarHBondContact O-N 3.4Å; L228-F233 HydrophobicContact CD2-CZ 3.95Å; L228-Q283 VanDerWaalsContact CD2-O 3.23Å; L228-Q283 WeakPolarHBondContact CD2-O 3.41Å
229F87.9Confident89Confident25 Ų2542.3 Ų42.311%0.1122%0.216CC..THydrogen-bonded Turntrans-65.3124.9177.7179.8-89.7000111.2F97 V101 V118 A223 Q224 H226 V231F97-F229 HydrophobicContact CD1-CD1 4.49Å; F97-F229 AromaticContact CD1-CE1 3.86Å; F97-F229 HydrophobicContact CD1-CE1 3.86Å; F97-F229 AromaticContact CD1-CZ 3.88Å; F97-F229 HydrophobicContact CD1-CZ 3.88Å; F97-F229 HydrophobicContact CE1-CZ 4.36Å; V101-F229 HydrophobicContact CG1-CZ 4.17Å; V118-F229 HydrophobicContact CG1-CE2 4.2Å; V118-F229 HydrophobicContact CG2-CE2 3.88Å; A223-F229 HydrophobicContact CB-CD2 4.23Å; A223-F229 HydrophobicContact CB-CE2 4.24Å; A223-F229 WeakPolarHBondContact O-CD2 3.48Å; Q224-F229 HydrophobicContact CB-CD1 4.26Å; Q224-F229 HydrophobicContact CB-CE1 4.12Å; Q224-F229 HydrophobicContact CB-CE2 4.41Å; Q224-F229 HydrophobicContact CB-CG 4.48Å; Q224-F229 HydrophobicContact CB-CZ 4.2Å; Q224-F229 HydrophobicContact CG-CD1 4.12Å; Q224-F229 HydrophobicContact CG-CE1 4.07Å; H226-F229 WeakPolarHBondContact O-CB 3.4Å; H226-F229 PolarHBondContact O-N 3.25Å; F229-V231 VanDerWaalsContact C-N 3.29Å; F229-V231 PolarHBondContact O-N 3.34Å
230G88.3Confident88.6Confident12 Ų1248 Ų4812%0.12424%0.237CC..THydrogen-bonded Turntrans64.42917800000114.9F97 L228F97-G230 VanDerWaalsContact CD2-CA 3.48Å; L228-G230 PolarHBondContact O-N 3.4Å
231V90.2Very high88.2Confident10 Ų1049.1 Ų49.16%0.06124%0.243CC..  trans-103.9116177.1-1710000111.2F229 F233 T272 Y279F229-V231 VanDerWaalsContact C-N 3.29Å; F229-V231 PolarHBondContact O-N 3.34Å; V231-F233 HydrophobicContact CB-CD2 4.24Å; V231-F233 HydrophobicContact CB-CE2 3.59Å; V231-F233 HydrophobicContact CB-CZ 3.87Å; V231-F233 HydrophobicContact CG1-CD1 4.26Å; V231-F233 HydrophobicContact CG1-CD2 3.92Å; V231-F233 HydrophobicContact CG1-CE1 3.86Å; V231-F233 HydrophobicContact CG1-CE2 3.48Å; V231-F233 VanDerWaalsContact CG1-CE2 3.48Å; V231-F233 HydrophobicContact CG1-CG 4.29Å; V231-F233 HydrophobicContact CG1-CZ 3.43Å; V231-F233 VanDerWaalsContact CG1-CZ 3.43Å; V231-F233 WeakPolarHBondContact O-CD2 3.43Å; V231-T272 HydrophobicContact CB-CG2 4.16Å; V231-T272 HydrophobicContact CG1-CG2 3.92Å; V231-T272 HydrophobicContact CG2-CG2 3.77Å; V231-Y279 HydrophobicContact CG1-CE2 4.34Å
232D89.2Confident87.5Confident46 Ų4649.4 Ų49.425%0.24624%0.244CC..EExtended strand (participates in β ladder)trans-86.8110.5170-62.7-68.9000109.7F234 G270 V271 M519D232-F234 HydrophobicContact CB-CE2 3.76Å; D232-F234 HydrophobicContact CB-CZ 4.22Å; D232-F234 WeakPolarHBondContact O-CD2 3.28Å; D232-F234 WeakPolarHBondContact O-CE2 3.48Å; D232-G270 CarbonylContact O-C 3.58Å; D232-G270 WeakPolarHBondContact O-CA 3.43Å; D232-V271 HydrophobicContact CB-CB 4.31Å; D232-V271 PolarHBondContact N-O 3.31Å; D232-V271 PolarHBondContact O-N 2.75Å; D232-M519 WeakPolarHBondContact OD2-CE 3.46Å
233F87.9Confident86.4Confident32 Ų3251.1 Ų51.114%0.1425%0.249CC..EExtended strand (participates in β ladder)trans-92.4134.4-177.3-69.4-88.9000112.8L228 V231 W268 Y279 Q283L228-F233 HydrophobicContact CD2-CZ 3.95Å; V231-F233 HydrophobicContact CB-CD2 4.24Å; V231-F233 HydrophobicContact CB-CE2 3.59Å; V231-F233 HydrophobicContact CB-CZ 3.87Å; V231-F233 HydrophobicContact CG1-CD1 4.26Å; V231-F233 HydrophobicContact CG1-CD2 3.92Å; V231-F233 HydrophobicContact CG1-CE1 3.86Å; V231-F233 HydrophobicContact CG1-CE2 3.48Å; V231-F233 VanDerWaalsContact CG1-CE2 3.48Å; V231-F233 HydrophobicContact CG1-CG 4.29Å; V231-F233 HydrophobicContact CG1-CZ 3.43Å; V231-F233 VanDerWaalsContact CG1-CZ 3.43Å; V231-F233 WeakPolarHBondContact O-CD2 3.43Å; F233-W268 HydrophobicContact CB-CE3 4.26Å; F233-W268 HydrophobicContact CD1-CB 4.09Å; F233-Y279 HydrophobicContact CD1-CD2 4.29Å; F233-Y279 HydrophobicContact CD1-CE2 4.24Å; F233-Y279 HydrophobicContact CE1-CD1 4.35Å; F233-Y279 AromaticContact CE1-CD2 3.77Å; F233-Y279 HydrophobicContact CE1-CD2 3.77Å; F233-Y279 HydrophobicContact CE1-CE1 4.13Å; F233-Y279 AromaticContact CE1-CE2 3.51Å; F233-Y279 HydrophobicContact CE1-CE2 3.51Å; F233-Y279 HydrophobicContact CE1-CG 4.18Å; F233-Y279 AromaticContact CE1-CZ 3.7Å; F233-Y279 HydrophobicContact CZ-CE1 4.45Å; F233-Y279 HydrophobicContact CZ-CE2 4.25Å; F233-Q283 HydrophobicContact CD1-CB 4.38Å; F233-Q283 HydrophobicContact CD1-CG 3.9Å; F233-Q283 HydrophobicContact CE1-CB 4.03Å; F233-Q283 HydrophobicContact CE1-CG 4.05Å; F233-Q283 HydrophobicContact CG-CG 4.47Å; F233-Q283 HydrophobicContact CZ-CB 4.4Å
234F88.7Confident84.8Confident16 Ų1653.5 Ų53.57%0.0726%0.264CS..EExtended strand (participates in β ladder)trans-126.7127.7175.4-59.3-87000110.4D232 W268 L269 V271 L507 Q512 T515 V516 M519D232-F234 HydrophobicContact CB-CE2 3.76Å; D232-F234 HydrophobicContact CB-CZ 4.22Å; D232-F234 WeakPolarHBondContact O-CD2 3.28Å; D232-F234 WeakPolarHBondContact O-CE2 3.48Å; F234-W268 WeakPolarHBondContact O-CA 3.44Å; F234-L269 HydrophobicContact CB-CB 4.49Å; F234-L269 PolarHBondContact N-O 3.47Å; F234-L269 PolarHBondContact O-N 2.94Å; F234-V271 HydrophobicContact CD2-CG2 4.03Å; F234-V271 HydrophobicContact CE2-CB 4.35Å; F234-V271 HydrophobicContact CE2-CG2 3.7Å; F234-L507 HydrophobicContact CB-CD2 3.92Å; F234-Q512 HydrophobicContact CD1-CB 4.37Å; F234-T515 HydrophobicContact CE1-CG2 4.15Å; F234-T515 HydrophobicContact CZ-CG2 4.37Å; F234-V516 HydrophobicContact CB-CG2 4.17Å; F234-V516 HydrophobicContact CD1-CG2 3.44Å; F234-V516 VanDerWaalsContact CD1-CG2 3.44Å; F234-V516 HydrophobicContact CD2-CG2 3.81Å; F234-V516 HydrophobicContact CE1-CG2 3.67Å; F234-V516 HydrophobicContact CE2-CG2 4.03Å; F234-V516 HydrophobicContact CG-CG2 3.51Å; F234-V516 HydrophobicContact CZ-CG2 3.97Å; F234-M519 HydrophobicContact CZ-CG 4.32Å
235P88.6Confident82.9Confident39 Ų3962.8 Ų62.825%0.25330%0.296SS..EExtended strand (participates in β ladder)trans-71.1134.2-178.827.6-33.1000111.5W268 A508P235-W268 HydrophobicContact CB-CE3 3.95Å; P235-W268 HydrophobicContact CB-CH2 4.19Å; P235-W268 HydrophobicContact CB-CZ3 3.66Å; P235-W268 HydrophobicContact CG-CZ3 4.2Å; P235-A508 HydrophobicContact CB-CB 4.07Å; P235-A508 HydrophobicContact CG-CB 4.13Å; P235-A508 PolarHBondContact O-N 3.09Å
236I89.2Confident80.6Confident3 Ų360.9 Ų60.92%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-129.4144-178.256.4167000111.1V239 A267 L269 L278 V505 W506 L507I236-V239 HydrophobicContact CD1-CG2 3.66Å; I236-A267 HydrophobicContact CD1-CB 3.93Å; I236-A267 HydrophobicContact CG1-CB 3.78Å; I236-A267 WeakPolarHBondContact CG1-O 3.42Å; I236-A267 PolarHBondContact N-O 3.18Å; I236-A267 PolarHBondContact O-N 2.88Å; I236-L269 HydrophobicContact CD1-CB 4.47Å; I236-L269 HydrophobicContact CG2-CB 3.99Å; I236-L278 HydrophobicContact CD1-CD2 3.89Å; I236-V505 HydrophobicContact CB-CG1 3.84Å; I236-V505 HydrophobicContact CD1-CG1 3.68Å; I236-V505 HydrophobicContact CG1-CG1 4.33Å; I236-V505 HydrophobicContact CG2-CG1 3.4Å; I236-W506 CarbonylContact C-O 3.56Å; I236-W506 VanDerWaalsContact CA-O 3.25Å; I236-W506 WeakPolarHBondContact CA-O 3.46Å; I236-W506 WeakPolarHBondContact CB-O 3.34Å; I236-L507 HydrophobicContact CG2-CD2 3.86Å
237V87.7Confident78.3Confident81 Ų8163.9 Ų63.949%0.49131%0.311SS..EExtended strand (participates in β ladder)trans-98.1-32.2-172.7-1780000111.7W506 A508V237-W506 PolarHBondContact N-O 3.36Å; V237-A508 HydrophobicContact CG2-CB 3.81Å
238Y84.9Confident76.2Confident104 Ų10464.3 Ų64.341%0.40832%0.323SS..EExtended strand (participates in β ladder)trans-154.1148.9-174.8178.7-116.5000110.9R240 W506Y238-R240 HydrophobicContact CE1-CB 3.87Å; Y238-W506 AromaticContact CD1-CD2 3.85Å; Y238-W506 HydrophobicContact CD1-CD2 3.85Å; Y238-W506 AromaticContact CD1-CE3 3.45Å; Y238-W506 HydrophobicContact CD1-CE3 3.45Å; Y238-W506 VanDerWaalsContact CD1-CE3 3.45Å; Y238-W506 HydrophobicContact CD1-CH2 4.18Å; Y238-W506 HydrophobicContact CD1-CZ2 4.49Å; Y238-W506 AromaticContact CD1-CZ3 3.64Å; Y238-W506 HydrophobicContact CD1-CZ3 3.64Å; Y238-W506 HydrophobicContact CE1-CE3 4.12Å; Y238-W506 HydrophobicContact CE1-CH2 4.07Å; Y238-W506 AromaticContact CE1-CZ3 3.8Å; Y238-W506 HydrophobicContact CE1-CZ3 3.8Å; Y238-W506 HydrophobicContact CG-CE3 4.34Å; Y238-W506 PolarHBondContact O-N 2.92Å
239V87.7Confident73.9Confident15 Ų1572.2 Ų72.29%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-132.2138.6176.6178.50000108.3I236 M241 L278 V503 E504 V505I236-V239 HydrophobicContact CD1-CG2 3.66Å; V239-M241 HydrophobicContact CG1-CE 4.15Å; V239-M241 HydrophobicContact CG1-CG 4.46Å; V239-L278 HydrophobicContact CG1-CD1 4.08Å; V239-V503 HydrophobicContact CG1-CG1 4.35Å; V239-E504 CarbonylContact C-O 3.42Å; V239-E504 WeakPolarHBondContact CA-O 3.26Å; V239-V505 HydrophobicContact CG2-CG1 4.45Å; V239-V505 HydrophobicContact CG2-CG2 4.46Å
240R87.3Confident71.4Confident126 Ų12674 Ų7448%0.47538%0.384SS..EExtended strand (participates in β ladder)trans-134.4123.2173.3-173.7-179.6-176.21747.3110.3Y238 E504 W506Y238-R240 HydrophobicContact CE1-CB 3.87Å; R240-E504 HydrophobicContact CB-CB 4.39Å; R240-E504 PolarHBondContact N-O 2.91Å; R240-E504 PolarHBondContact O-N 3.41Å; R240-W506 HydrophobicContact CB-CH2 4.15Å; R240-W506 HydrophobicContact CB-CZ3 3.83Å
241M86.7Confident68.7Low24 Ų2483.1 Ų83.112%0.11842%0.423CS..EExtended strand (participates in β ladder)trans-98.7144.9174.2-55.6-161.1-175.700110.3V239 F243 L278 F289 F291 I500 V503V239-M241 HydrophobicContact CG1-CE 4.15Å; V239-M241 HydrophobicContact CG1-CG 4.46Å; M241-F243 HydrophobicContact CB-CE2 4.39Å; M241-L278 HydrophobicContact CE-CD1 3.92Å; M241-F289 HydrophobicContact CE-CD1 4.11Å; M241-F289 HydrophobicContact CE-CD2 3.58Å; M241-F289 HydrophobicContact CE-CE1 4.07Å; M241-F289 HydrophobicContact CE-CE2 3.54Å; M241-F289 HydrophobicContact CE-CG 3.88Å; M241-F289 HydrophobicContact CE-CZ 3.8Å; M241-F289 HydrophobicContact SD-CD1 4.47Å; M241-F289 HydrophobicContact SD-CE1 4.11Å; M241-F289 HydrophobicContact SD-CE2 4.44Å; M241-F289 HydrophobicContact SD-CZ 4.1Å; M241-F291 HydrophobicContact CE-CZ 4.43Å; M241-I500 HydrophobicContact CB-CG2 4.32Å; M241-I500 HydrophobicContact SD-CD1 3.71Å; M241-I500 HydrophobicContact SD-CG1 4.44Å; M241-V503 HydrophobicContact CG-CG1 4.42Å; M241-V503 HydrophobicContact CG-CG2 4.33Å; M241-V503 HydrophobicContact SD-CG2 4.48Å
242K82.1Confident65.9Low71 Ų7190.1 Ų90.131%0.30946%0.46SS..EExtended strand (participates in β ladder)trans-128.2133179.8-66.2177.3176.1174.60109.7S501 V502 E504K242-S501 PolarHBondContact O-N 2.96Å; K242-S501 PolarHBondContact O-OG 2.79Å; K242-S501 VanDerWaalsContact O-OG 3.06Å; K242-V502 HydrophobicContact CB-CB 4.23Å; K242-V502 PolarHBondContact N-O 2.83Å; K242-V502 PolarHBondContact O-N 2.78Å; K242-E504 VanDerWaalsContact CE-CD 3.45Å; K242-E504 WeakPolarHBondContact CE-OE2 3.42Å; K242-E504 IonicContact NZ-OE1 2.71Å; K242-E504 PolarHBondContact NZ-OE1 2.82Å; K242-E504 IonicContact NZ-OE2 2.72Å; K242-E504 PolarHBondContact NZ-OE2 3.36Å
243F70.3Confident63.2Low67 Ų6795 Ų9529%0.29448%0.481SS..  trans-101.9150.4178.8-58.9-89.6000109.1M241 T255 V498 S499 I500M241-F243 HydrophobicContact CB-CE2 4.39Å; F243-T255 HydrophobicContact CD2-CG2 3.56Å; F243-T255 HydrophobicContact CE2-CG2 3.4Å; F243-T255 HydrophobicContact CZ-CG2 4.49Å; F243-V498 HydrophobicContact CD1-CB 4.25Å; F243-V498 HydrophobicContact CD1-CG1 3.51Å; F243-V498 HydrophobicContact CE1-CB 3.89Å; F243-V498 HydrophobicContact CE1-CG1 3.46Å; F243-V498 VanDerWaalsContact CE1-CG1 3.46Å; F243-V498 HydrophobicContact CG-CG1 4.27Å; F243-V498 HydrophobicContact CZ-CG1 4.22Å; F243-S499 WeakPolarHBondContact CD1-O 3.4Å; F243-I500 HydrophobicContact CD1-CG1 4.18Å; F243-I500 HydrophobicContact CE1-CB 4.29Å; F243-I500 HydrophobicContact CE1-CG1 3.42Å; F243-I500 VanDerWaalsContact CE1-CG1 3.42Å; F243-I500 HydrophobicContact CZ-CG1 3.82Å
244P57.6Low60.6Low55 Ų5596.4 Ų96.436%0.35750%0.495SS..  trans-67.6144.5175.930.8-33.5000109.9T246 S499P244-T246 VanDerWaalsContact C-N 3.31Å; P244-T246 PolarHBondContact O-N 3.2Å; P244-S499 WeakPolarHBondContact CD-O 3.46Å; P244-S499 WeakPolarHBondContact CG-OG 3.47Å
245R52Low58.2Low257 Ų25798 Ų9897%0.9751%0.506SS*.SBendtrans-78.975.1-176.6-68176.8174.4163.8-6.4111.3
246T41.6Very low55.9Low117 Ų117102.7 Ų102.772%0.71853%0.528SS*.  trans-137.854.318045.50000113.2P244P244-T246 VanDerWaalsContact C-N 3.31Å; P244-T246 PolarHBondContact O-N 3.2Å
247L35.6Very low53.7Low120 Ų120108.1 Ų108.163%0.62855%0.548SS*.  trans-154.291.7146.1-104.3179.2000108.7L249L247-L249 PolarHBondContact O-N 3.27Å
248S32.9Very low51.4Low125 Ų125108.2 Ų108.287%0.87455%0.546SS*.THydrogen-bonded Turntrans-83.351.3-172.7-176.20000112.9
249L35Very low48.9Very low172 Ų172109.2 Ų109.290%0.90156%0.558SS**THydrogen-bonded Turntrans-159.524.8176.7-114.4158.6000115.9L247L247-L249 PolarHBondContact O-N 3.27Å
250A35.8Very low46.5Very low63 Ų63114.3 Ų114.352%0.52159%0.59SS.*  trans-136.5114.2170.900000111.3N252 E253A250-N252 VanDerWaalsContact C-N 3.34Å; A250-E253 HydrophobicContact CB-CG 4.4Å
251Q31.9Very low43.9Very low203 Ų203113.4 Ų113.495%0.94959%0.594SS**SBendtrans-85-1.2179.9-79.3-177.5-34.100114.4
252N31.7Very low41.3Very low156 Ų156121.7 Ų121.783%0.83463%0.633SS**  trans-11810.2-166.5-77.2-15.7000115.8A250 S254A250-N252 VanDerWaalsContact C-N 3.34Å; N252-S254 PolarHBondContact O-N 3.31Å
253E31.8Very low39.3Very low148 Ų148120.9 Ų120.969%0.69264%0.636SS**  trans-82.368.8175.7-62.7-158.2142.600112A250 T255A250-E253 HydrophobicContact CB-CG 4.4Å; E253-T255 PolarHBondContact O-N 3.07Å
254S33.2Very low37.8Very low62 Ų62126.7 Ų126.743%0.43466%0.663SS.*  trans-61.9126161.7-168.70000108.7N252 N259N252-S254 PolarHBondContact O-N 3.31Å; S254-N259 VanDerWaalsContact CB-OD1 3.3Å; S254-N259 WeakPolarHBondContact CB-OD1 3.37Å; S254-N259 PolarHBondContact OG-OD1 2.83Å
255T39.6Very low37.7Very low49 Ų49126.1 Ų126.130%0.30166%0.659SS.*  trans-67.9153.6-166.2250000112.8F243 E253 W257 D258F243-T255 HydrophobicContact CD2-CG2 3.56Å; F243-T255 HydrophobicContact CE2-CG2 3.4Å; F243-T255 HydrophobicContact CZ-CG2 4.49Å; E253-T255 PolarHBondContact O-N 3.07Å; T255-W257 PolarHBondContact O-N 2.87Å; T255-D258 WeakPolarHBondContact CB-OD2 3.46Å; T255-D258 PolarHBondContact O-N 3.27Å; T255-D258 PolarHBondContact OG1-OD2 2.89Å
256I38.8Very low38.3Very low138 Ų138119.1 Ų119.171%0.70864%0.641SS**THydrogen-bonded Turntrans-62.98.4-170.3-66.8169.2000114.2
257W43.6Very low40.4Very low118 Ų118114.3 Ų114.345%0.44761%0.613SS.*THydrogen-bonded Turntrans-113.9-16.2173.3-88.456.2000114.2T255 F289T255-W257 PolarHBondContact O-N 2.87Å; W257-F289 AromaticContact CZ2-CE2 3.76Å; W257-F289 HydrophobicContact CZ2-CE2 3.76Å; W257-F289 AromaticContact NE1-CE2 3.88Å; W257-F289 AromaticContact NE1-CZ 3.88Å
258D38.3Very low42.9Very low83 Ų83110.8 Ų110.844%0.44459%0.591SS.*THydrogen-bonded Turntrans-98.1-19.3-165.7-60-78.7000114.4T255T255-D258 WeakPolarHBondContact CB-OD2 3.46Å; T255-D258 PolarHBondContact O-N 3.27Å; T255-D258 PolarHBondContact OG1-OD2 2.89Å
259N33.9Very low45.7Very low124 Ų124104.9 Ų104.966%0.66355%0.55SS*.SBendtrans-101.9-8.1-169.3-83.522.3000116.9S254S254-N259 VanDerWaalsContact CB-OD1 3.3Å; S254-N259 WeakPolarHBondContact CB-OD1 3.37Å; S254-N259 PolarHBondContact OG-OD1 2.83Å
260T35.7Very low48.4Very low123 Ų12396.7 Ų96.776%0.75551%0.507SS*.SBendtrans-131.613.4-179.5630000114.2
261N34.5Very low51.2Low106 Ų10693.7 Ų93.757%0.56748%0.482SS*.  trans-151.186.2-177.4-96.5-29.4000111.2C263N261-C263 HydrophobicContact CB-CB 3.9Å; N261-C263 VanDerWaalsContact CG-SG 3.59Å; N261-C263 PolarHBondContact O-N 2.9Å; N261-C263 PolarHBondContact OD1-SG 3.36Å
262Q32.2Very low54.2Low198 Ų19884.3 Ų84.393%0.92544%0.439SS*.  trans-69.269.5159.5-75.9-174.7-15.200109.2
263C39.4Very low57.2Low55 Ų5577.4 Ų77.437%0.37240%0.403SS..  trans-115.692.5-161.2-91.50000112.4N261 T265N261-C263 HydrophobicContact CB-CB 3.9Å; N261-C263 VanDerWaalsContact CG-SG 3.59Å; N261-C263 PolarHBondContact O-N 2.9Å; N261-C263 PolarHBondContact OD1-SG 3.36Å; C263-T265 HydrophobicContact CB-CG2 3.62Å; C263-T265 WeakPolarHBondContact CB-OG1 3.26Å; C263-T265 PolarHBondContact O-N 2.72Å
264H38Very low60Low189 Ų18972.7 Ų72.788%0.87539%0.39SS*.  trans-66.567.7156.5-55.4-89.7000109.6
265T55.4Low63Low43 Ų4369.8 Ų69.826%0.26437%0.369SS..  trans-128110.5-168.261.30000113.7C263 A267 K281C263-T265 HydrophobicContact CB-CG2 3.62Å; C263-T265 WeakPolarHBondContact CB-OG1 3.26Å; C263-T265 PolarHBondContact O-N 2.72Å; T265-A267 PolarHBondContact O-N 2.81Å; T265-K281 VanDerWaalsContact CB-CE 3.48Å
266N65.9Low65.6Low109 Ų10967.4 Ų67.458%0.58336%0.355SS*.  trans-31.4123.7163.7-51.8-26.7000112.3K281N266-K281 WeakPolarHBondContact O-CA 3.25Å; N266-K281 WeakPolarHBondContact O-CG 3.41Å
267A84.4Confident68.2Low17 Ų1762.1 Ų62.114%0.1433%0.327CS..EExtended strand (participates in β ladder)trans-133.6178.4174.400000109.1I236 T265 Y279I236-A267 HydrophobicContact CD1-CB 3.93Å; I236-A267 HydrophobicContact CG1-CB 3.78Å; I236-A267 WeakPolarHBondContact CG1-O 3.42Å; I236-A267 PolarHBondContact N-O 3.18Å; I236-A267 PolarHBondContact O-N 2.88Å; T265-A267 PolarHBondContact O-N 2.81Å; A267-Y279 WeakPolarHBondContact CB-O 3.41Å
268W89Confident70.5Confident45 Ų4556.8 Ų56.817%0.1731%0.308CS..EExtended strand (participates in β ladder)trans-133.1139-179.9-52.184.8000113.2F135 F233 F234 P235 Y279 K281 Q283F135-W268 HydrophobicContact CB-CZ2 3.99Å; F135-W268 HydrophobicContact CG-CZ2 4.23Å; F233-W268 HydrophobicContact CB-CE3 4.26Å; F233-W268 HydrophobicContact CD1-CB 4.09Å; F234-W268 WeakPolarHBondContact O-CA 3.44Å; P235-W268 HydrophobicContact CB-CE3 3.95Å; P235-W268 HydrophobicContact CB-CH2 4.19Å; P235-W268 HydrophobicContact CB-CZ3 3.66Å; P235-W268 HydrophobicContact CG-CZ3 4.2Å; W268-Y279 PolarHBondContact N-O 3.38Å; W268-Y279 PolarHBondContact O-N 3.42Å; W268-K281 PolarHBondContact NE1-O 3.21Å; W268-Q283 HydrophobicContact CB-CG 4.39Å; W268-Q283 HydrophobicContact CD2-CG 3.76Å; W268-Q283 VanDerWaalsContact CD2-NE2 3.26Å; W268-Q283 VanDerWaalsContact CE2-NE2 3.29Å; W268-Q283 HydrophobicContact CE3-CG 4.48Å; W268-Q283 HydrophobicContact CG-CG 3.66Å; W268-Q283 VanDerWaalsContact CH2-NE2 3.29Å; W268-Q283 HydrophobicContact CZ2-CG 4.43Å; W268-Q283 VanDerWaalsContact CZ2-NE2 3.32Å
269L92.1Very high72.9Confident1 Ų153 Ų531%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-96.5117.6166.2173.767.8000108.5F234 I236 L276 Q277 L278 V516F234-L269 HydrophobicContact CB-CB 4.49Å; F234-L269 PolarHBondContact N-O 3.47Å; F234-L269 PolarHBondContact O-N 2.94Å; I236-L269 HydrophobicContact CD1-CB 4.47Å; I236-L269 HydrophobicContact CG2-CB 3.99Å; L269-L276 HydrophobicContact CD1-CB 4.44Å; L269-Q277 CarbonylContact C-O 3.51Å; L269-Q277 WeakPolarHBondContact CA-O 3.43Å; L269-L278 HydrophobicContact CB-CD2 4.45Å; L269-L278 HydrophobicContact CD1-CD2 3.93Å; L269-V516 HydrophobicContact CD2-CG1 3.95Å
270G92.2Very high75.2Confident0 Ų047.6 Ų47.60%026%0.26CS..EExtended strand (participates in β ladder)trans-94130.1168.700000111.5D232 Q277D232-G270 CarbonylContact O-C 3.58Å; D232-G270 WeakPolarHBondContact O-CA 3.43Å; G270-Q277 PolarHBondContact N-O 3.47Å; G270-Q277 PolarHBondContact O-N 3.01Å
271V94.3Very high77.2Confident0 Ų047.6 Ų47.60%025%0.25CC..EExtended strand (participates in β ladder)trans-100.6132.1166.5-172.90000108.2D232 F234 L276 W293 V516 M519D232-V271 HydrophobicContact CB-CB 4.31Å; D232-V271 PolarHBondContact N-O 3.31Å; D232-V271 PolarHBondContact O-N 2.75Å; F234-V271 HydrophobicContact CD2-CG2 4.03Å; F234-V271 HydrophobicContact CE2-CB 4.35Å; F234-V271 HydrophobicContact CE2-CG2 3.7Å; V271-L276 HydrophobicContact CB-CD2 4.21Å; V271-L276 HydrophobicContact CG1-CD2 4.03Å; V271-L276 HydrophobicContact CG2-CD2 3.83Å; V271-W293 HydrophobicContact CG1-CH2 4.3Å; V271-W293 HydrophobicContact CG1-CZ2 4.09Å; V271-V516 HydrophobicContact CG2-CG1 4.33Å; V271-M519 HydrophobicContact CB-CB 4.5Å; V271-M519 HydrophobicContact CG1-CB 4.05Å
272T94.1Very high79Confident7 Ų745.1 Ų45.14%0.04324%0.241CC..  trans-140.7166.4-173.8720000112.3V231 A274 G275 Q277 W293V231-T272 HydrophobicContact CB-CG2 4.16Å; V231-T272 HydrophobicContact CG1-CG2 3.92Å; V231-T272 HydrophobicContact CG2-CG2 3.77Å; T272-A274 PolarHBondContact O-N 2.89Å; T272-A274 PolarHBondContact OG1-N 3.19Å; T272-G275 PolarHBondContact N-O 3.13Å; T272-G275 PolarHBondContact O-N 3.22Å; T272-G275 PolarHBondContact OG1-N 3.41Å; T272-G275 PolarHBondContact OG1-O 3.4Å; T272-Q277 HydrophobicContact CG2-CG 4.2Å; T272-Q277 PolarHBondContact OG1-NE2 2.73Å; T272-W293 PolarHBondContact O-NE1 3.44Å
273A94.2Very high80.8Confident10 Ų1036 Ų368%0.08320%0.198CC..SBendtrans-59.1-28.7173.300000113.5F97 E99 W293F97-A273 WeakPolarHBondContact O-CB 3.49Å; E99-A273 HydrophobicContact CG-CB 4.15Å; A273-W293 VanDerWaalsContact O-CD1 3.29Å; A273-W293 PolarHBondContact O-NE1 3.06Å
274A92Very high82.3Confident50 Ų5040.5 Ų40.541%0.41321%0.207SC..SBendtrans-91-30-177.800000114.2T272 P292 W293T272-A274 PolarHBondContact O-N 2.89Å; T272-A274 PolarHBondContact OG1-N 3.19Å; A274-P292 WeakPolarHBondContact O-CA 3.48Å; A274-W293 VanDerWaalsContact O-CD1 3.29Å; A274-W293 PolarHBondContact O-N 2.93Å
275G94.5Very high84Confident0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans170.9-163.8-177.400000114.3T272 F291T272-G275 PolarHBondContact N-O 3.13Å; T272-G275 PolarHBondContact O-N 3.22Å; T272-G275 PolarHBondContact OG1-N 3.41Å; T272-G275 PolarHBondContact OG1-O 3.4Å; G275-F291 VanDerWaalsContact CA-O 3.29Å; G275-F291 WeakPolarHBondContact CA-O 3.27Å
276L95.6Very high85.2Confident0 Ų037.4 Ų37.40%020%0.201CC..EExtended strand (participates in β ladder)trans-96.5140.5170.6-63.4-179.2000110.5L269 V271 T290 F291 W293 I296 V299 F306 I308L269-L276 HydrophobicContact CD1-CB 4.44Å; V271-L276 HydrophobicContact CB-CD2 4.21Å; V271-L276 HydrophobicContact CG1-CD2 4.03Å; V271-L276 HydrophobicContact CG2-CD2 3.83Å; L276-T290 CarbonylContact O-C 3.59Å; L276-T290 WeakPolarHBondContact O-CA 3.4Å; L276-F291 HydrophobicContact CB-CB 4.48Å; L276-F291 HydrophobicContact CB-CD2 4.49Å; L276-F291 PolarHBondContact N-O 2.9Å; L276-F291 PolarHBondContact O-N 3.47Å; L276-W293 HydrophobicContact CD1-CH2 4.48Å; L276-W293 HydrophobicContact CD1-CZ3 4.44Å; L276-W293 HydrophobicContact CD2-CH2 3.57Å; L276-W293 HydrophobicContact CD2-CZ2 4.17Å; L276-W293 HydrophobicContact CD2-CZ3 4.3Å; L276-W293 HydrophobicContact CG-CH2 3.79Å; L276-W293 HydrophobicContact CG-CZ2 4.49Å; L276-W293 HydrophobicContact CG-CZ3 4.05Å; L276-I296 HydrophobicContact CB-CD1 4.24Å; L276-I296 HydrophobicContact CD1-CD1 3.81Å; L276-I296 HydrophobicContact CG-CD1 3.82Å; L276-V299 HydrophobicContact CD1-CG1 4.16Å; L276-F306 HydrophobicContact CD1-CE1 4.44Å; L276-I308 HydrophobicContact CD1-CD1 3.58Å; L276-I308 HydrophobicContact CD1-CG1 3.83Å; L276-I308 HydrophobicContact CD1-CG2 4.39Å
277Q93.5Very high86.2Confident27 Ų2733.9 Ų33.913%0.12618%0.183CC..EExtended strand (participates in β ladder)trans-129.8142.4-175.8-57.3-169.523.200110.6L269 G270 T272 Y279 P287 F289 T290L269-Q277 CarbonylContact C-O 3.51Å; L269-Q277 WeakPolarHBondContact CA-O 3.43Å; G270-Q277 PolarHBondContact N-O 3.47Å; G270-Q277 PolarHBondContact O-N 3.01Å; T272-Q277 HydrophobicContact CG2-CG 4.2Å; T272-Q277 PolarHBondContact OG1-NE2 2.73Å; Q277-Y279 HydrophobicContact CB-CE2 3.74Å; Q277-Y279 PolarHBondContact OE1-OH 2.89Å; Q277-P287 HydrophobicContact CB-CB 3.96Å; Q277-P287 HydrophobicContact CG-CB 4.47Å; Q277-F289 CarbonylContact C-O 3.59Å; Q277-F289 WeakPolarHBondContact CA-O 3.39Å; Q277-T290 HydrophobicContact CG-CG2 4.14Å
278L91.8Very high86.3Confident6 Ų637.2 Ų37.23%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-115128.6174.7-66.9177000110I236 V239 M241 L269 P287 Q288 F289 F291 V503 V505I236-L278 HydrophobicContact CD1-CD2 3.89Å; V239-L278 HydrophobicContact CG1-CD1 4.08Å; M241-L278 HydrophobicContact CE-CD1 3.92Å; L269-L278 HydrophobicContact CB-CD2 4.45Å; L269-L278 HydrophobicContact CD1-CD2 3.93Å; L278-P287 CarbonylContact O-C 3.59Å; L278-P287 WeakPolarHBondContact O-CA 3.4Å; L278-Q288 PolarHBondContact O-N 2.92Å; L278-F289 HydrophobicContact CB-CB 4.37Å; L278-F289 HydrophobicContact CD1-CB 4.48Å; L278-F289 PolarHBondContact N-O 2.83Å; L278-F289 PolarHBondContact O-N 2.93Å; L278-F291 HydrophobicContact CD1-CE2 3.81Å; L278-F291 HydrophobicContact CD1-CZ 4.3Å; L278-F291 HydrophobicContact CG-CE2 4.06Å; L278-V503 HydrophobicContact CD1-CG1 4.23Å; L278-V505 HydrophobicContact CD2-CG2 4.29Å
279Y88.3Confident86.3Confident3 Ų336.3 Ų36.31%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-115.3154.1178.6-56.6-101.2000110V231 F233 A267 W268 Q277 D285 P287V231-Y279 HydrophobicContact CG1-CE2 4.34Å; F233-Y279 HydrophobicContact CD1-CD2 4.29Å; F233-Y279 HydrophobicContact CD1-CE2 4.24Å; F233-Y279 HydrophobicContact CE1-CD1 4.35Å; F233-Y279 AromaticContact CE1-CD2 3.77Å; F233-Y279 HydrophobicContact CE1-CD2 3.77Å; F233-Y279 HydrophobicContact CE1-CE1 4.13Å; F233-Y279 AromaticContact CE1-CE2 3.51Å; F233-Y279 HydrophobicContact CE1-CE2 3.51Å; F233-Y279 HydrophobicContact CE1-CG 4.18Å; F233-Y279 AromaticContact CE1-CZ 3.7Å; F233-Y279 HydrophobicContact CZ-CE1 4.45Å; F233-Y279 HydrophobicContact CZ-CE2 4.25Å; A267-Y279 WeakPolarHBondContact CB-O 3.41Å; W268-Y279 PolarHBondContact N-O 3.38Å; W268-Y279 PolarHBondContact O-N 3.42Å; Q277-Y279 HydrophobicContact CB-CE2 3.74Å; Q277-Y279 PolarHBondContact OE1-OH 2.89Å; Y279-D285 WeakPolarHBondContact CD1-O 3.34Å; Y279-P287 HydrophobicContact CD1-CB 4.33Å; Y279-P287 HydrophobicContact CE1-CB 4.02Å
280G82.7Confident86.2Confident10 Ų1038.7 Ų38.710%0.10321%0.208CC..  trans-72.6-153.8172.300000112.5C282G280-C282 VanDerWaalsContact C-N 3.3Å; G280-C282 PolarHBondContact O-N 2.9Å
281K77.1Confident86.3Confident123 Ų12338.8 Ų38.854%0.53521%0.209SC..SBendtrans-55.1-46.7176-68.1176.8179.4176.40111.6F135 T265 N266 W268F135-K281 VanDerWaalsContact CD1-O 3.24Å; F135-K281 WeakPolarHBondContact CD1-O 3.01Å; F135-K281 WeakPolarHBondContact CE1-O 3.13Å; T265-K281 VanDerWaalsContact CB-CE 3.48Å; N266-K281 WeakPolarHBondContact O-CA 3.25Å; N266-K281 WeakPolarHBondContact O-CG 3.41Å; W268-K281 PolarHBondContact NE1-O 3.21Å
282C72.1Confident86.3Confident55 Ų5540.7 Ų40.737%0.37222%0.221SC..  trans-89.5118.9-176.1-62.20000111.5G280 R284 D285G280-C282 VanDerWaalsContact C-N 3.3Å; G280-C282 PolarHBondContact O-N 2.9Å; C282-R284 PolarHBondContact O-N 3.37Å; C282-D285 WeakPolarHBondContact CB-OD1 3.49Å; C282-D285 PolarHBondContact O-N 3.43Å
283Q70.4Confident86.4Confident6 Ų640.5 Ų40.53%0.02822%0.219CC..THydrogen-bonded Turntrans-65.9-18.6174.7-66.9-176.617.900113.7F135 L228 F233 W268 D285F135-Q283 HydrophobicContact CB-CG 4.31Å; L228-Q283 VanDerWaalsContact CD2-O 3.23Å; L228-Q283 WeakPolarHBondContact CD2-O 3.41Å; F233-Q283 HydrophobicContact CD1-CB 4.38Å; F233-Q283 HydrophobicContact CD1-CG 3.9Å; F233-Q283 HydrophobicContact CE1-CB 4.03Å; F233-Q283 HydrophobicContact CE1-CG 4.05Å; F233-Q283 HydrophobicContact CG-CG 4.47Å; F233-Q283 HydrophobicContact CZ-CB 4.4Å; W268-Q283 HydrophobicContact CB-CG 4.39Å; W268-Q283 HydrophobicContact CD2-CG 3.76Å; W268-Q283 VanDerWaalsContact CD2-NE2 3.26Å; W268-Q283 VanDerWaalsContact CE2-NE2 3.29Å; W268-Q283 HydrophobicContact CE3-CG 4.48Å; W268-Q283 HydrophobicContact CG-CG 3.66Å; W268-Q283 VanDerWaalsContact CH2-NE2 3.29Å; W268-Q283 HydrophobicContact CZ2-CG 4.43Å; W268-Q283 VanDerWaalsContact CZ2-NE2 3.32Å; Q283-D285 VanDerWaalsContact C-N 3.32Å
284R69.9Low86.3Confident149 Ų14944.1 Ų44.156%0.56224%0.238SC*.THydrogen-bonded Turntrans-77.3-18.7179.9-64.2-175.9-177172.12.1112.9D137 C282D137-R284 IonicContact OD2-CZ 3.7Å; D137-R284 IonicContact OD2-NE 3.88Å; D137-R284 IonicContact OD2-NH2 2.9Å; D137-R284 PolarHBondContact OD2-NH2 3.34Å; C282-R284 PolarHBondContact O-N 3.37Å
285D73.6Confident86.3Confident74 Ų7444 Ų4440%0.39623%0.229SC..SBendtrans-67.4152.7177.7-61-7.6000110.3Y279 C282 Q283Y279-D285 WeakPolarHBondContact CD1-O 3.34Å; C282-D285 WeakPolarHBondContact CB-OD1 3.49Å; C282-D285 PolarHBondContact O-N 3.43Å; Q283-D285 VanDerWaalsContact C-N 3.32Å
286P82.4Confident86.3Confident94 Ų9444.9 Ų44.961%0.6123%0.233SC*.PPolyproline II helixtrans-59.6148.516827.1-34.7000110.8Q288P286-Q288 PolarHBondContact O-N 3.22Å
287P86.7Confident86.2Confident34 Ų3452.5 Ų52.522%0.22127%0.266CS..PPolyproline II helixtrans-61.3126.4179.329.1-38.3000110.5Q277 L278 Y279 F289Q277-P287 HydrophobicContact CB-CB 3.96Å; Q277-P287 HydrophobicContact CG-CB 4.47Å; L278-P287 CarbonylContact O-C 3.59Å; L278-P287 WeakPolarHBondContact O-CA 3.4Å; Y279-P287 HydrophobicContact CD1-CB 4.33Å; Y279-P287 HydrophobicContact CE1-CB 4.02Å; P287-F289 VanDerWaalsContact C-N 3.25Å; P287-F289 PolarHBondContact O-N 2.94Å
288Q85.5Confident86.2Confident87 Ų8755.2 Ų55.241%0.40728%0.282SS..SBendtrans-64.6-33.8178-62.2-175.8-500111.5L278 P286L278-Q288 PolarHBondContact O-N 2.92Å; P286-Q288 PolarHBondContact O-N 3.22Å
289F88.6Confident86.4Confident26 Ų2656.3 Ų56.311%0.11429%0.289CS..EExtended strand (participates in β ladder)trans-138.7140.7172.7-62.4-92.9000110.5M241 W257 Q277 L278 P287 F291 A316 I500M241-F289 HydrophobicContact CE-CD1 4.11Å; M241-F289 HydrophobicContact CE-CD2 3.58Å; M241-F289 HydrophobicContact CE-CE1 4.07Å; M241-F289 HydrophobicContact CE-CE2 3.54Å; M241-F289 HydrophobicContact CE-CG 3.88Å; M241-F289 HydrophobicContact CE-CZ 3.8Å; M241-F289 HydrophobicContact SD-CD1 4.47Å; M241-F289 HydrophobicContact SD-CE1 4.11Å; M241-F289 HydrophobicContact SD-CE2 4.44Å; M241-F289 HydrophobicContact SD-CZ 4.1Å; W257-F289 AromaticContact CZ2-CE2 3.76Å; W257-F289 HydrophobicContact CZ2-CE2 3.76Å; W257-F289 AromaticContact NE1-CE2 3.88Å; W257-F289 AromaticContact NE1-CZ 3.88Å; Q277-F289 CarbonylContact C-O 3.59Å; Q277-F289 WeakPolarHBondContact CA-O 3.39Å; L278-F289 HydrophobicContact CB-CB 4.37Å; L278-F289 HydrophobicContact CD1-CB 4.48Å; L278-F289 PolarHBondContact N-O 2.83Å; L278-F289 PolarHBondContact O-N 2.93Å; P287-F289 VanDerWaalsContact C-N 3.25Å; P287-F289 PolarHBondContact O-N 2.94Å; F289-F291 HydrophobicContact CB-CE1 4.41Å; F289-F291 HydrophobicContact CB-CE2 3.81Å; F289-F291 HydrophobicContact CB-CZ 3.63Å; F289-F291 HydrophobicContact CD1-CZ 4.41Å; F289-F291 HydrophobicContact CG-CZ 4.21Å; F289-A316 HydrophobicContact CE1-CB 4.03Å; F289-I500 HydrophobicContact CE1-CD1 4.24Å
290T91.6Very high86.7Confident52 Ų5258 Ų5832%0.31930%0.301SS..EExtended strand (participates in β ladder)trans-126.4130.1171.2-67.80000108.9L276 Q277 P292L276-T290 CarbonylContact O-C 3.59Å; L276-T290 WeakPolarHBondContact O-CA 3.4Å; Q277-T290 HydrophobicContact CG-CG2 4.14Å; T290-P292 WeakPolarHBondContact O-CD 3.31Å
291F93.5Very high87.3Confident1 Ų162 Ų620%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-115.994.1179-51.1-76.2000108.9M241 G275 L276 L278 F289 I296 L310 V503M241-F291 HydrophobicContact CE-CZ 4.43Å; G275-F291 VanDerWaalsContact CA-O 3.29Å; G275-F291 WeakPolarHBondContact CA-O 3.27Å; L276-F291 HydrophobicContact CB-CB 4.48Å; L276-F291 HydrophobicContact CB-CD2 4.49Å; L276-F291 PolarHBondContact N-O 2.9Å; L276-F291 PolarHBondContact O-N 3.47Å; L278-F291 HydrophobicContact CD1-CE2 3.81Å; L278-F291 HydrophobicContact CD1-CZ 4.3Å; L278-F291 HydrophobicContact CG-CE2 4.06Å; F289-F291 HydrophobicContact CB-CE1 4.41Å; F289-F291 HydrophobicContact CB-CE2 3.81Å; F289-F291 HydrophobicContact CB-CZ 3.63Å; F289-F291 HydrophobicContact CD1-CZ 4.41Å; F289-F291 HydrophobicContact CG-CZ 4.21Å; F291-I296 HydrophobicContact CB-CD1 4.19Å; F291-I296 HydrophobicContact CB-CG1 4.24Å; F291-I296 WeakPolarHBondContact O-CD1 3.49Å; F291-L310 HydrophobicContact CB-CD2 4.41Å; F291-L310 HydrophobicContact CD1-CD1 3.93Å; F291-L310 HydrophobicContact CD1-CD2 4.06Å; F291-L310 HydrophobicContact CE1-CD1 4.09Å; F291-L310 HydrophobicContact CG-CD2 4.49Å; F291-V503 HydrophobicContact CE1-CG2 3.91Å; F291-V503 HydrophobicContact CE2-CG1 4.48Å; F291-V503 HydrophobicContact CE2-CG2 4.47Å; F291-V503 HydrophobicContact CZ-CG1 4.36Å; F291-V503 HydrophobicContact CZ-CG2 3.76Å
292P94.8Very high88.1Confident40 Ų4065.1 Ų65.126%0.2632%0.322SS..EExtended strand (participates in β ladder)trans-55.6146.5176.8-2835.9000113.1A274 T290 N294 M295 I296A274-P292 WeakPolarHBondContact O-CA 3.48Å; T290-P292 WeakPolarHBondContact O-CD 3.31Å; P292-N294 VanDerWaalsContact CB-OD1 3.3Å; P292-N294 WeakPolarHBondContact CB-OD1 3.45Å; P292-N294 PolarHBondContact O-N 3.39Å; P292-N294 VanDerWaalsContact O-N 3.09Å; P292-M295 HydrophobicContact CB-CG 4.42Å; P292-M295 HydrophobicContact CB-SD 4.36Å; P292-M295 HydrophobicContact CG-SD 3.95Å; P292-M295 WeakPolarHBondContact O-CB 3.23Å; P292-M295 PolarHBondContact O-N 3.08Å; P292-I296 PolarHBondContact O-N 3.45Å
293W95.8Very high88.9Confident3 Ų368.4 Ų68.41%0.01133%0.332CS..THydrogen-bonded Turntrans-58.5-26-176.7-71120.3000114.7V271 T272 A273 A274 L276 M295 I296 C520 N523 H524 F527V271-W293 HydrophobicContact CG1-CH2 4.3Å; V271-W293 HydrophobicContact CG1-CZ2 4.09Å; T272-W293 PolarHBondContact O-NE1 3.44Å; A273-W293 VanDerWaalsContact O-CD1 3.29Å; A273-W293 PolarHBondContact O-NE1 3.06Å; A274-W293 VanDerWaalsContact O-CD1 3.29Å; A274-W293 PolarHBondContact O-N 2.93Å; L276-W293 HydrophobicContact CD1-CH2 4.48Å; L276-W293 HydrophobicContact CD1-CZ3 4.44Å; L276-W293 HydrophobicContact CD2-CH2 3.57Å; L276-W293 HydrophobicContact CD2-CZ2 4.17Å; L276-W293 HydrophobicContact CD2-CZ3 4.3Å; L276-W293 HydrophobicContact CG-CH2 3.79Å; L276-W293 HydrophobicContact CG-CZ2 4.49Å; L276-W293 HydrophobicContact CG-CZ3 4.05Å; W293-M295 VanDerWaalsContact C-N 3.3Å; W293-I296 HydrophobicContact CE3-CD1 3.73Å; W293-I296 HydrophobicContact CZ3-CD1 3.87Å; W293-C520 HydrophobicContact CH2-CB 3.86Å; W293-C520 HydrophobicContact CZ3-CB 4.22Å; W293-N523 HydrophobicContact CZ2-CB 3.63Å; W293-H524 HydrophobicContact CD2-CB 4.17Å; W293-H524 HydrophobicContact CE3-CB 3.93Å; W293-H524 HydrophobicContact CZ3-CB 4.34Å; W293-F527 HydrophobicContact CB-CB 4.19Å; W293-F527 HydrophobicContact CB-CD1 3.47Å; W293-F527 VanDerWaalsContact CB-CD1 3.47Å; W293-F527 HydrophobicContact CB-CD2 3.69Å; W293-F527 HydrophobicContact CB-CE1 3.61Å; W293-F527 HydrophobicContact CB-CE2 3.79Å; W293-F527 HydrophobicContact CB-CG 3.52Å; W293-F527 HydrophobicContact CB-CZ 3.76Å; W293-F527 AromaticContact CD1-CD2 3.57Å; W293-F527 AromaticContact CD1-CG 3.72Å; W293-F527 HydrophobicContact CG-CB 4.14Å; W293-F527 HydrophobicContact CG-CD1 4.32Å; W293-F527 HydrophobicContact CG-CD2 4.02Å; W293-F527 HydrophobicContact CG-CE2 4.47Å; W293-F527 AromaticContact CG-CG 3.92Å; W293-F527 HydrophobicContact CG-CG 3.92Å
294N92.8Very high89.8Confident87 Ų8775.4 Ų75.447%0.46536%0.358SS..THydrogen-bonded Turntrans-77.6-10.6174.765.1-68.9000114.3P292 F527P292-N294 VanDerWaalsContact CB-OD1 3.3Å; P292-N294 WeakPolarHBondContact CB-OD1 3.45Å; P292-N294 PolarHBondContact O-N 3.39Å; P292-N294 VanDerWaalsContact O-N 3.09Å; N294-F527 HydrophobicContact CB-CE1 4.02Å; N294-F527 HydrophobicContact CB-CZ 3.88Å
295M92Very high90.9Very high48 Ų4871 Ų7124%0.23634%0.343CS..THydrogen-bonded Turntrans-98.3-14.1176.8-63.2178.760.900112.5P292 W293 L310 T311 T313 C314P292-M295 HydrophobicContact CB-CG 4.42Å; P292-M295 HydrophobicContact CB-SD 4.36Å; P292-M295 HydrophobicContact CG-SD 3.95Å; P292-M295 WeakPolarHBondContact O-CB 3.23Å; P292-M295 PolarHBondContact O-N 3.08Å; W293-M295 VanDerWaalsContact C-N 3.3Å; M295-L310 CarbonylContact O-C 3.56Å; M295-L310 VanDerWaalsContact O-CA 3.26Å; M295-L310 WeakPolarHBondContact O-CA 3.34Å; M295-T311 PolarHBondContact O-N 3.14Å; M295-T311 PolarHBondContact O-OG1 2.8Å; M295-T313 VanDerWaalsContact CE-O 3.23Å; M295-T313 WeakPolarHBondContact CE-O 3.31Å; M295-C314 HydrophobicContact CE-CB 4.39Å
296I94.2Very high91.9Very high17 Ų1767.5 Ų67.59%0.08733%0.325CS..EExtended strand (participates in β ladder)trans-87.2112.2179-64.9169.9000108.9L276 F291 P292 W293 V299 I308 L310L276-I296 HydrophobicContact CB-CD1 4.24Å; L276-I296 HydrophobicContact CD1-CD1 3.81Å; L276-I296 HydrophobicContact CG-CD1 3.82Å; F291-I296 HydrophobicContact CB-CD1 4.19Å; F291-I296 HydrophobicContact CB-CG1 4.24Å; F291-I296 WeakPolarHBondContact O-CD1 3.49Å; P292-I296 PolarHBondContact O-N 3.45Å; W293-I296 HydrophobicContact CE3-CD1 3.73Å; W293-I296 HydrophobicContact CZ3-CD1 3.87Å; I296-V299 HydrophobicContact CG2-CG1 3.76Å; I296-I308 HydrophobicContact CD1-CG2 4.37Å; I296-I308 HydrophobicContact CG1-CG2 3.98Å; I296-I308 HydrophobicContact CG2-CG2 4.13Å; I296-L310 HydrophobicContact CG1-CD2 4.16Å
297K92.8Very high92.5Very high160 Ų16063.8 Ų63.870%0.69630%0.3SS*.EExtended strand (participates in β ladder)trans-81.1-35.6177.4-178.3171.5-179.51730112.5K309K297-K309 PolarHBondContact N-O 3.05Å
298N94.2Very high92.9Very high85 Ų8562.1 Ų62.146%0.45529%0.289SS..EExtended strand (participates in β ladder)trans-160.6146.1179.3-165.4-11.7000110.4K309N298-K309 HydrophobicContact CB-CB 4.31Å; N298-K309 HydrophobicContact CB-CD 4.48Å; N298-K309 PolarHBondContact N-O 3.01Å; N298-K309 PolarHBondContact O-N 3.38Å
299V95.3Very high93.2Very high28 Ų2862.7 Ų62.717%0.1729%0.29CS..EExtended strand (participates in β ladder)trans-120.3136.4167.3-73.80000109.7L276 I296 F306 I308 M517 C520L276-V299 HydrophobicContact CD1-CG1 4.16Å; I296-V299 HydrophobicContact CG2-CG1 3.76Å; V299-F306 HydrophobicContact CB-CE1 4.1Å; V299-F306 HydrophobicContact CB-CZ 3.99Å; V299-F306 HydrophobicContact CG1-CE1 4.03Å; V299-F306 HydrophobicContact CG1-CZ 4.31Å; V299-I308 HydrophobicContact CG1-CG1 4.27Å; V299-I308 HydrophobicContact CG1-CG2 4.3Å; V299-M517 HydrophobicContact CB-CE 4.16Å; V299-M517 HydrophobicContact CG2-CE 4.06Å; V299-M517 HydrophobicContact CG2-SD 3.85Å; V299-M517 WeakPolarHBondContact O-CE 3.5Å; V299-C520 HydrophobicContact CG2-CB 4.27Å
300S95.6Very high93.4Very high40 Ų4062 Ų6228%0.2829%0.288SS..EExtended strand (participates in β ladder)trans-144.9158-175.4510000109.9F306 T307S300-F306 CarbonylContact O-C 3.57Å; S300-T307 PolarHBondContact N-O 2.71Å; S300-T307 PolarHBondContact O-N 2.88Å; S300-T307 PolarHBondContact OG-O 2.87Å
301Y94.6Very high93Very high93 Ų9363.4 Ų63.437%0.36530%0.297SS..EExtended strand (participates in β ladder)trans-142.2152.2171.376.7-80.5000111K305 A513 K514 M517Y301-K305 CarbonylContact C-O 3.55Å; Y301-K305 WeakPolarHBondContact CA-O 3.41Å; Y301-A513 HydrophobicContact CD2-CB 3.49Å; Y301-A513 VanDerWaalsContact CD2-CB 3.49Å; Y301-A513 HydrophobicContact CE2-CB 3.91Å; Y301-A513 HydrophobicContact CG-CB 3.98Å; Y301-K514 HydrophobicContact CE2-CG 4.45Å; Y301-K514 WeakPolarHBondContact OH-CG 3.43Å; Y301-M517 HydrophobicContact CD1-CB 4.27Å; Y301-M517 HydrophobicContact CD1-CE 3.85Å; Y301-M517 HydrophobicContact CD1-CG 4.41Å; Y301-M517 HydrophobicContact CE1-CB 4.24Å; Y301-M517 HydrophobicContact CE1-CG 4.32Å
302R93.4Very high91.5Very high189 Ų18967.4 Ų67.471%0.71332%0.324SS*.EExtended strand (participates in β ladder)trans-136.9119.5167.7175.2172.9175.8154.44107.3R304 K305R302-R304 PolarHBondContact O-N 3.11Å; R302-K305 PolarHBondContact N-O 3.22Å; R302-K305 WeakPolarHBondContact O-CB 3.36Å; R302-K305 PolarHBondContact O-N 2.95Å
303E88.9Confident89.6Confident123 Ų12370.3 Ų70.358%0.57534%0.342SS*.THydrogen-bonded Turntrans50.9-121.9-174.3-55.1137.2-130.400110.6
304R90.8Very high87.4Confident153 Ų15370.7 Ų70.758%0.57735%0.345SS*.THydrogen-bonded Turntrans-79.2-13.517556.2179.5167.9175.3-3.9115.3R302 F306 L507 P510R302-R304 PolarHBondContact O-N 3.11Å; R304-F306 PolarHBondContact O-N 2.95Å; R304-L507 PolarHBondContact O-N 2.85Å; R304-P510 HydrophobicContact CB-CB 4.13Å
305K92.8Very high85.2Confident58 Ų5877.3 Ų77.325%0.25236%0.363SS..EExtended strand (participates in β ladder)trans-88.5109.8-175.8-176.7-174.5176.7-175.30110.6Y301 R302 T307 E504 W506Y301-K305 CarbonylContact C-O 3.55Å; Y301-K305 WeakPolarHBondContact CA-O 3.41Å; R302-K305 PolarHBondContact N-O 3.22Å; R302-K305 WeakPolarHBondContact O-CB 3.36Å; R302-K305 PolarHBondContact O-N 2.95Å; K305-T307 WeakPolarHBondContact CE-OG1 3.31Å; K305-E504 WeakPolarHBondContact CE-OE1 3.39Å; K305-E504 WeakPolarHBondContact CE-OE2 3.41Å; K305-E504 IonicContact NZ-OE1 3.86Å; K305-E504 PolarHBondContact NZ-OE1 3.14Å; K305-E504 IonicContact NZ-OE2 2.88Å; K305-E504 PolarHBondContact NZ-OE2 2.88Å; K305-W506 HydrophobicContact CD-CH2 4.21Å; K305-W506 HydrophobicContact CD-CZ2 3.65Å; K305-W506 HydrophobicContact CG-CD2 4.24Å; K305-W506 HydrophobicContact CG-CH2 4.37Å; K305-W506 HydrophobicContact CG-CZ2 3.89Å
306F94Very high82.8Confident0 Ų077.7 Ų77.70%037%0.374CS..EExtended strand (participates in β ladder)trans-84.6149.3165.6-154.2-97.5000110L276 V299 S300 R304 I308 V505 V516 M517L276-F306 HydrophobicContact CD1-CE1 4.44Å; V299-F306 HydrophobicContact CB-CE1 4.1Å; V299-F306 HydrophobicContact CB-CZ 3.99Å; V299-F306 HydrophobicContact CG1-CE1 4.03Å; V299-F306 HydrophobicContact CG1-CZ 4.31Å; S300-F306 CarbonylContact O-C 3.57Å; R304-F306 PolarHBondContact O-N 2.95Å; F306-I308 HydrophobicContact CD1-CG1 3.97Å; F306-I308 HydrophobicContact CE1-CG1 3.96Å; F306-V505 WeakPolarHBondContact CA-O 3.47Å; F306-V505 HydrophobicContact CB-CB 4.44Å; F306-V505 PolarHBondContact N-O 3.28Å; F306-V505 PolarHBondContact O-N 3.44Å; F306-V516 HydrophobicContact CD2-CG1 4.01Å; F306-V516 HydrophobicContact CE1-CG1 4.37Å; F306-V516 HydrophobicContact CE2-CB 4.15Å; F306-V516 HydrophobicContact CE2-CG1 3.53Å; F306-V516 HydrophobicContact CZ-CG1 3.73Å; F306-M517 HydrophobicContact CE2-CE 3.76Å; F306-M517 HydrophobicContact CZ-CE 3.99Å
307T94.4Very high80.3Confident15 Ų1581.8 Ų81.89%0.09240%0.4CS..EExtended strand (participates in β ladder)trans-148.3116.6-176.1-66.40000111S300 K305 V502 E504S300-T307 PolarHBondContact N-O 2.71Å; S300-T307 PolarHBondContact O-N 2.88Å; S300-T307 PolarHBondContact OG-O 2.87Å; K305-T307 WeakPolarHBondContact CE-OG1 3.31Å; T307-V502 HydrophobicContact CG2-CG1 3.72Å; T307-E504 HydrophobicContact CG2-CG 4.22Å
308I94.7Very high77.5Confident0 Ų079.3 Ų79.30%040%0.403CS..EExtended strand (participates in β ladder)trans-103.7118.3-178.5-51.5162000107.4L276 I296 V299 F306 L310 V502 V503L276-I308 HydrophobicContact CD1-CD1 3.58Å; L276-I308 HydrophobicContact CD1-CG1 3.83Å; L276-I308 HydrophobicContact CD1-CG2 4.39Å; I296-I308 HydrophobicContact CD1-CG2 4.37Å; I296-I308 HydrophobicContact CG1-CG2 3.98Å; I296-I308 HydrophobicContact CG2-CG2 4.13Å; V299-I308 HydrophobicContact CG1-CG1 4.27Å; V299-I308 HydrophobicContact CG1-CG2 4.3Å; F306-I308 HydrophobicContact CD1-CG1 3.97Å; F306-I308 HydrophobicContact CE1-CG1 3.96Å; I308-L310 HydrophobicContact CG2-CD2 3.98Å; I308-V502 WeakPolarHBondContact O-CA 3.29Å; I308-V503 HydrophobicContact CB-CB 4.38Å; I308-V503 PolarHBondContact N-O 3.36Å; I308-V503 PolarHBondContact O-N 3.46Å
309K93.3Very high74.4Confident98 Ų9884.5 Ų84.543%0.42642%0.421SS..EExtended strand (participates in β ladder)trans-98.8126.1173.6-61.3-177.9-178.6177.70108.5K297 N298 V502K297-K309 PolarHBondContact N-O 3.05Å; N298-K309 HydrophobicContact CB-CB 4.31Å; N298-K309 HydrophobicContact CB-CD 4.48Å; N298-K309 PolarHBondContact N-O 3.01Å; N298-K309 PolarHBondContact O-N 3.38Å; K309-V502 HydrophobicContact CG-CG1 4.4Å; K309-V502 HydrophobicContact CG-CG2 4.33Å
310L92.2Very high71.3Confident11 Ų1188.1 Ų88.16%0.05845%0.445CS..EExtended strand (participates in β ladder)trans-93.1156.1178.9-55.8179.9000110.5F291 M295 I296 I308 C314 I500 S501 V503F291-L310 HydrophobicContact CB-CD2 4.41Å; F291-L310 HydrophobicContact CD1-CD1 3.93Å; F291-L310 HydrophobicContact CD1-CD2 4.06Å; F291-L310 HydrophobicContact CE1-CD1 4.09Å; F291-L310 HydrophobicContact CG-CD2 4.49Å; M295-L310 CarbonylContact O-C 3.56Å; M295-L310 VanDerWaalsContact O-CA 3.26Å; M295-L310 WeakPolarHBondContact O-CA 3.34Å; I296-L310 HydrophobicContact CG1-CD2 4.16Å; I308-L310 HydrophobicContact CG2-CD2 3.98Å; L310-C314 HydrophobicContact CD1-CB 3.82Å; L310-I500 HydrophobicContact CD1-CB 4.32Å; L310-I500 HydrophobicContact CD1-CG2 4.14Å; L310-S501 PolarHBondContact N-O 3.46Å; L310-V503 HydrophobicContact CD1-CG2 4.48Å
311T84Confident68Low83 Ų8392.2 Ų92.251%0.50947%0.474SS..SBendtrans-69.4-58-177.2-570000111.5M295M295-T311 PolarHBondContact O-N 3.14Å; M295-T311 PolarHBondContact O-OG1 2.8Å
312S61.4Low64.9Low84 Ų8495.6 Ų95.659%0.58749%0.493SS*.SBendtrans177.7158.8160.945.10000108.3
313T54.6Low61.6Low102 Ų10294.6 Ų94.663%0.62650%0.5SS*.  trans57.789.9-174.265.20000115.3M295M295-T313 VanDerWaalsContact CE-O 3.23Å; M295-T313 WeakPolarHBondContact CE-O 3.31Å
314C49.5Very low58.8Low10 Ų1093.9 Ų93.97%0.06850%0.504CS..PPolyproline II helixtrans-94.3134.8159.7-160.40000109.7M295 L310 I500M295-C314 HydrophobicContact CE-CB 4.39Å; L310-C314 HydrophobicContact CD1-CB 3.82Å; C314-I500 HydrophobicContact CB-CB 3.88Å; C314-I500 HydrophobicContact CB-CD1 4.25Å; C314-I500 HydrophobicContact CB-CG1 4.4Å
315R47.2Very low55.7Low226 Ų22692 Ų9285%0.85352%0.515SS*.PPolyproline II helixtrans-99.7125.7167.8-62-174.8-170.7-177.92.5108.5
316A41.5Very low52.8Low56 Ų5696.4 Ų96.446%0.46354%0.54SS..PPolyproline II helixtrans-70.6136.7167.100000109.7F289 S318F289-A316 HydrophobicContact CE1-CB 4.03Å; A316-S318 VanDerWaalsContact C-N 3.33Å; A316-S318 PolarHBondContact O-N 2.87Å
317T40.1Very low49.6Very low104 Ų104102.3 Ų102.364%0.63858%0.578SS**  trans-93.159.4-179.9450000111.6K319T317-K319 PolarHBondContact O-N 2.86Å
318S34.6Very low46.4Very low107 Ų107107.4 Ų107.475%0.74861%0.609SS**  trans-76.280.6175.244.10000112A316A316-S318 VanDerWaalsContact C-N 3.33Å; A316-S318 PolarHBondContact O-N 2.87Å
319K30.1Very low43.4Very low194 Ų194115 Ų11584%0.84365%0.649SS**  trans-95.5108.4154.2-87.9-163.9171.6-1690108.8T317T317-K319 PolarHBondContact O-N 2.86Å
320P29.4Very low40.2Very low105 Ų105116.9 Ų116.968%0.68266%0.663SS**  trans-67.8147.7169.729.8-33.9000110.1Q322P320-Q322 VanDerWaalsContact C-N 3.32Å; P320-Q322 PolarHBondContact O-N 2.9Å
321S25.7Very low37.3Very low126 Ų126122.1 Ų122.188%0.88169%0.691SS**  trans-7281.1178.1-56.40000111.5
322Q29.3Very low34.8Very low164 Ų164125.6 Ų125.677%0.76670%0.701SS**  trans-85.7109.7168.6-76.6-170.7-20.800110.7P320 T324P320-Q322 VanDerWaalsContact C-N 3.32Å; P320-Q322 PolarHBondContact O-N 2.9Å; Q322-T324 PolarHBondContact O-N 3.08Å
323I26Very low33.4Very low167 Ų167126.3 Ų126.386%0.85670%0.702SS**  trans-63.4120.4164.6-62167.3000107.3
324T29.5Very low32.4Very low108 Ų108132.9 Ų132.966%0.66372%0.716SS**  trans-122.4106.4173.1-50.30000108.8Q322 I326Q322-T324 PolarHBondContact O-N 3.08Å; T324-I326 HydrophobicContact CG2-CD1 4.43Å; T324-I326 HydrophobicContact CG2-CG1 4.28Å
325S25.1Very low31.5Very low114 Ų114136 Ų13680%0.79775%0.749SS**  trans-79.7132.317139.50000110.4
326I31.3Very low30.9Very low151 Ų151131.3 Ų131.377%0.77475%0.748SS**  trans-134.9137.1170.4-63.3-174.5000106.7T324T324-I326 HydrophobicContact CG2-CD1 4.43Å; T324-I326 HydrophobicContact CG2-CG1 4.28Å
327P28.1Very low30.5Very low123 Ų123135.5 Ų135.580%0.79977%0.768SS**  trans-98.1166.9-14637.4-38.2000116.6
328T26.6Very low29.9Very low122 Ų122136.7 Ų136.775%0.74878%0.775SS**  trans-60.9140.2168.8-43.10000113.6
329L30.7Very low29.7Very low159 Ų159138.9 Ų138.983%0.83278%0.776SS**  trans-177.7114.3146.9-99.7173000104.9
330L27.6Very low29.6Very low138 Ų138134.5 Ų134.572%0.72377%0.77SS**  40.2121.669.3-60.6175.3000110.7
331N30.4Very low29.7Very low122 Ų122134.4 Ų134.465%0.65277%0.772SS**  cis-172.1158.543.2-164.927.2000110.2
332E32.3Very low29.8Very low155 Ų155137.8 Ų137.872%0.72477%0.77SS**  trans59.9169.7155.8-74.5-174.2-12600119.7
333T32.4Very low30Very low100 Ų100134.2 Ų134.261%0.61377%0.769SS**  cis-154151.5-27.7-97.40000109.5
334R33.2Very low30.2Very low240 Ų240131.6 Ų131.691%0.90677%0.766SS**  trans-1.8136.9164.6-58.8167.5175.9164.7-2.8120.2
335G29.6Very low30.2Very low74 Ų74134.8 Ų134.876%0.76377%0.773SS**  trans109.9134.9130.700000117.6
336P35.7Very low30.8Very low129 Ų129134.6 Ų134.684%0.83877%0.769SS**  trans-104.5153.6-178.138.7-33.2000114.6
337V31.7Very low30.7Very low144 Ų144132 Ų13287%0.87377%0.765SS**  trans-134.4153.6165.1-179.20000110.1
338V27.4Very low31Very low129 Ų129137.2 Ų137.278%0.78277%0.768SS**  trans-92.6-177.6-173.1176.80000111
339I32.1Very low31.5Very low152 Ų152136.2 Ų136.278%0.77977%0.766SS**  trans102.9105.5177.8-56.9156.9000110.3
340S26.7Very low31.8Very low102 Ų102134.1 Ų134.171%0.71376%0.762SS**  cis86.9143.238.5-1650000113.9
341S32Very low32Very low103 Ų103134.2 Ų134.272%0.7276%0.763SS**  trans69.7153.6-175.289.20000115
342K29Very low32.1Very low197 Ų197135.8 Ų135.886%0.85777%0.769SS**  cis-163.6168.2-17.5-118.6173.2-173.6174.70109.2
343A31.9Very low31.9Very low89 Ų89133.6 Ų133.674%0.73677%0.771SS**  trans75.5140.7153.500000122
344S31.9Very low31.9Very low113 Ų113136.1 Ų136.179%0.7978%0.779SS**  trans53.993.3143.755.30000122.2
345Q28.9Very low31.9Very low174 Ų174130.8 Ų130.881%0.81377%0.774SS**  -51.3170.9124.2-73.9-102.4-5.500112
346P36.8Very low32.1Very low111 Ų111130.4 Ų130.472%0.72177%0.77SS**  cis-141.2-165.420.243.4-23.1000116.5
347S30.3Very low32.2Very low97 Ų97134 Ų13468%0.67878%0.776SS**  trans-69.1176.7177.257.60000117.2
348R33.1Very low32.4Very low232 Ų232130.8 Ų130.888%0.87576%0.764SS**  trans-148.6131.9141.9-100.1157-172.7-119-4.1108.1
349S38.8Very low32.6Very low100 Ų100134 Ų13470%0.69977%0.768SS**  75.1145.169-53.90000111.5
350P36.7Very low32.5Very low115 Ų115133.2 Ų133.275%0.74777%0.77SS**  cis-138.7-174.548.636.9-13.5000114.3
351L31.4Very low32.8Very low140 Ų140131.7 Ų131.773%0.73377%0.771SS**  cis-141.9148.220.8-72.4158.2000113.1
352I32.3Very low32.6Very low155 Ų155133.8 Ų133.880%0.79578%0.779SS**  trans36.9119.9131.1-52.6176.4000117.3
353S28.2Very low32.8Very low109 Ų109128.9 Ų128.976%0.76277%0.774SS**  cis-158.5-143.7-4.9-148.10000108.5
354I32.2Very low32.7Very low153 Ų153131.7 Ų131.779%0.78578%0.782SS**  cis-154.2-160.58.5-151164.7000111.2
355T33Very low32.7Very low128 Ų128129.4 Ų129.479%0.78578%0.776SS**  trans-79.9155.8-178.751.20000115.4
356G33.2Very low33.1Very low67 Ų67127 Ų12769%0.69178%0.779SS**  cis154.2164.6-7.200000114
357Q38.5Very low33.1Very low204 Ų204127 Ų12795%0.95378%0.781SS**  trans68.3154.6163.5-67.6179-0.100118.2
358A35.3Very low33.4Very low76 Ų76127.5 Ų127.563%0.62879%0.792SS**  cis-167.9150.8-12.900000112.7
359F31.9Very low33.5Very low198 Ų198120 Ų12087%0.86879%0.787SS**  trans58.7162.5149.5-81.7-118.5000119.8
360V31.3Very low33.4Very low134 Ų134119 Ų11981%0.81279%0.792SS**  cis173.6145.8-31.11370000105.5
361G31.2Very low33.3Very low71 Ų71119.3 Ų119.373%0.73280%0.797SS**  trans163140.1168.500000116.4
362V28.2Very low33.6Very low147 Ų147116.1 Ų116.189%0.89180%0.797SS**  trans-148.1130.8-174.7175.80000113.1
363A32.7Very low33.9Very low93 Ų93115.1 Ų115.177%0.76980%0.799SS**  trans-173.2143.7157.500000107.9
364V30.2Very low34.3Very low148 Ų148115.1 Ų115.190%0.89780%0.799SS**  cis113124.719.2168.10000112.3
365G32.7Very low34.4Very low65 Ų65112.5 Ų112.567%0.6780%0.8SS**  trans118.7118.2-17800000112.4
366S36.8Very low34.5Very low125 Ų125110.9 Ų110.987%0.87480%0.799SS**  75.3135.360.2-62.40000113.8
367S36.2Very low34.5Very low109 Ų109112.4 Ų112.476%0.76280%0.8SS**  cis-174156.2-4.747.20000112.5
368A37.9Very low34.5Very low109 Ų109110.3 Ų110.390%0.90179%0.794SS**  trans64.6157165.100000119.3
369G35.2Very low34.9Very low75 Ų75111.9 Ų111.977%0.77380%0.798SS**  cis171.7139.1-1300000115.5
370G35.3Very low35Very low77 Ų77107.5 Ų107.579%0.79479%0.792SS**  trans73.6166.4164.700000119.2
371S36.3Very low35.4Very low123 Ų123106.8 Ų106.886%0.8679%0.788SS**  cis-176.9132.1-3046.30000112.5
372G37.9Very low35.7Very low72 Ų72106.1 Ų106.174%0.74277%0.771SS**  trans86.7158.4165.600000117.1
373T38.7Very low36.1Very low134 Ų134106.7 Ų106.782%0.82277%0.767SS**  cis-156.4147.5-8.744.30000112.4
374S35.5Very low35.9Very low109 Ų109105.6 Ų105.676%0.76275%0.754SS**  trans60.298.1144.6-570000123.2
375A34.5Very low36.2Very low99 Ų99103 Ų10382%0.81875%0.748SS**  68.5152.811300000124.2
376A35.5Very low36.1Very low93 Ų93110.9 Ų110.977%0.76976%0.757SS**  trans73.7149.4162.900000119
377S33.7Very low35.9Very low100 Ų100112.3 Ų112.370%0.69976%0.755SS**  cis-168.7130-22.2-98.40000113
378L38.4Very low35.7Very low159 Ų159112.9 Ų112.983%0.83275%0.753SS**  trans65.3-178.6147.9-55.4173.3000116.6
379P41.8Very low35.7Very low110 Ų110113.7 Ų113.771%0.71475%0.749SS**  -140.6-145.1-97.343.4-21.2000114
380S35.6Very low35.6Very low105 Ų105114.3 Ų114.373%0.73475%0.747SS**  trans81.1149.1168.982.90000116.2
381T38.2Very low35.5Very low119 Ų119117.2 Ų117.273%0.7375%0.749SS**  cis-155.4160.4-15.610.90000109.1
382P38.2Very low35.5Very low58 Ų58116.7 Ų116.738%0.37774%0.743SS.*  trans-119.1172.5-155.127.2-7.5000117.5A1319P382-A1319 WeakPolarHBondContact O-CB 3.24Å
383I35.9Very low35.4Very low158 Ų158118.5 Ų118.581%0.8174%0.742SS**  trans-137.6153.7171.7-70.5-174.1000111.4
384S29.7Very low35.1Very low70 Ų70117 Ų11749%0.4973%0.732SS.*  trans-89.6153.4-164.3-165.80000117.3C1320S384-C1320 VanDerWaalsContact CA-O 3.31Å; S384-C1320 WeakPolarHBondContact CA-O 3.36Å; S384-C1320 WeakPolarHBondContact CB-O 3.3Å; S384-C1320 WeakPolarHBondContact CB-OXT 3.07Å; S384-C1320 VanDerWaalsContact OG-C 3.26Å; S384-C1320 PolarHBondContact OG-O 3.42Å; S384-C1320 PolarHBondContact OG-OXT 3.46Å
385A35.8Very low35Very low93 Ų93115.7 Ų115.777%0.76972%0.723SS**  trans-172.8119.3139.100000116.1
386R31.9Very low35.3Very low231 Ų231115.2 Ų115.287%0.87271%0.711SS**  trans31.7136.9132.3-117.4-179-169.8175.82.7122.8
387L31.2Very low35.3Very low156 Ų156115.7 Ų115.782%0.81770%0.701SS**  trans116.5140.2142-69.3164.2000120.7
388V32.7Very low35.3Very low121 Ų121116.9 Ų116.973%0.73370%0.699SS**  trans-46.5149.7176.7-179.90000115.8
389P38Very low35Very low125 Ų125115.9 Ų115.981%0.81269%0.694SS**  trans-122.7140.6133.434.8-27.8000113.1
390A32.9Very low34.6Very low88 Ų88117 Ų11773%0.72769%0.693SS**  trans-93.6169.1172.700000111.6P392A390-P392 WeakPolarHBondContact O-CD 3.04Å
391V33.3Very low34.4Very low138 Ų138115.2 Ų115.284%0.83669%0.685SS**  trans-80.4133.7-177.7177.30000112.1
392P36.9Very low34Very low113 Ų113114.8 Ų114.873%0.73469%0.687SS**  trans-104.1157.415336-29.7000112.3A390A390-P392 WeakPolarHBondContact O-CD 3.04Å
393P35.1Very low33.6Very low110 Ų110117.9 Ų117.971%0.71471%0.705SS**  trans-124.8168.7-157.842.1-28.5000116.6
394V31.9Very low33.3Very low103 Ų103116.4 Ų116.462%0.62470%0.698SS**  trans63.997.9149.2168.70000117.2
395S33.4Very low33.2Very low81 Ų81120 Ų12057%0.56671%0.711SS**  86.4165.891.4-60.90000115.6R472S395-R472 PolarHBondContact OG-NH1 3.33Å
396P41.5Very low32.9Very low88 Ų88121.1 Ų121.157%0.57171%0.713SS**  cis-138.5-170.6-47.240.8-24.5000113.2
397N35.3Very low32.8Very low103 Ų103114.7 Ų114.755%0.55170%0.704SS**  trans72.7147150-710.3000118.8Q474N397-Q474 PolarHBondContact ND2-OE1 2.93Å
398L33.5Very low33.2Very low126 Ų126112.8 Ų112.866%0.6670%0.701SS**  cis-158.9144.6-8.8-95.6153.8000109.2
399L33.3Very low33Very low138 Ų138118.2 Ų118.272%0.72371%0.708SS**  trans52.9163.2140-59.5-179.6000121.5
400D31.7Very low32.7Very low133 Ų133116.2 Ų116.271%0.71170%0.702SS**  cis-151.8177.1-0.9-138.6-32.5000113.8
401A31.7Very low32.6Very low68 Ų68118 Ų11856%0.56270%0.704SS**  trans41.4118.8147.200000120.3
402S30.4Very low32.5Very low110 Ų110115.7 Ų115.777%0.76969%0.694SS**  81.7172.550.488.80000115.1
403V30.5Very low32.3Very low123 Ų123118.3 Ų118.375%0.74569%0.694SS**  trans82.3132.6-174.8-178.10000114.4
404N28.1Very low32.1Very low127 Ų127120.8 Ų120.868%0.67969%0.693SS**  cis-169.1163.7-24.6-106.4-22.6000110.4
405L28.5Very low32Very low145 Ų145123.4 Ų123.476%0.75970%0.699SS**  trans44.7139.5149-83.670.8000119.7
406S29Very low31.9Very low116 Ų116124.7 Ų124.781%0.81171%0.708SS**  -168.8162.775.4-68.40000114.4
407S31Very low31.2Very low97 Ų97125 Ų12568%0.67871%0.711SS**  trans-99.2167.6177.8162.90000111.9R409S407-R409 PolarHBondContact OG-N 2.79Å
408P38.1Very low31.1Very low116 Ų116126.5 Ų126.575%0.75372%0.719SS**  -122.9148.5123.439.3-34.2000110.5
409R30.2Very low31.1Very low235 Ų235126 Ų12689%0.88772%0.722SS**  cis65.3139.439-81.4-171.7160.5-173.1-5.5113.5S407S407-R409 PolarHBondContact OG-N 2.79Å
410A30.6Very low31Very low83 Ų83123.2 Ų123.269%0.68672%0.718SS**  cis-151.3-170.4-12.500000107
411V31.2Very low31.1Very low125 Ų125125.2 Ų125.276%0.75872%0.723SS**  -174.213558.7164.10000110.1
412S31.7Very low31.3Very low90 Ų90129.4 Ų129.463%0.62973%0.731SS**  trans18.8160.4150.7850000123.7
413K32.9Very low31.3Very low167 Ų167132.1 Ų132.173%0.72674%0.736SS**  cis-167.3139.544.2-129161.1179.8-169.90110.3
414F29.1Very low31.3Very low162 Ų162129.8 Ų129.871%0.71174%0.737SS**  74.3147.8108.9-79.2-145.4000115.1
415E31.4Very low31.3Very low158 Ų158128.5 Ų128.574%0.73874%0.744SS**  cis-146.8156.40.2-105.1152.2148.900108.7
416S29.8Very low31.4Very low108 Ų108128 Ų12876%0.75575%0.75SS**  63.2143.677.1-120.30000115.6
417C27.9Very low31.6Very low95 Ų95132.8 Ų132.864%0.64276%0.756SS**  cis-160.7177.54.5-157.30000112.6
418D33.6Very low31.7Very low135 Ų135131.8 Ų131.872%0.72276%0.761SS**  trans71.4156.7151.6-70.8-52.9000122.7
419T32.3Very low31.3Very low116 Ų116134.5 Ų134.571%0.71276%0.761SS**  cis-165.5153.1-34.5-104.80000112.1
420A31.9Very low31.3Very low79 Ų79132 Ų13265%0.65376%0.757SS**  trans74.1116.2160.200000124.1
421Q34.4Very low31.3Very low174 Ų174131.8 Ų131.881%0.81376%0.762SS**  86.9118.2129.1-72.6-172.51.500124.7
422Q34.5Very low31.2Very low157 Ų157138.1 Ų138.173%0.73477%0.773SS**  trans82.5115.8149.4-62.8-166.24300122.3
423L30.9Very low31.1Very low167 Ų167138.4 Ų138.487%0.87478%0.78SS**  trans56.3117.3143.4-56.8166.8000119.2
424G29.8Very low31.1Very low73 Ų73139.9 Ų139.975%0.75379%0.787SS**  cis173.2129.5-7.600000113.4
425A29.1Very low30.9Very low101 Ų101138.9 Ų138.984%0.83579%0.794SS**  trans59.1111.5172.500000119.1
426P31Very low30.6Very low135 Ų135136.7 Ų136.788%0.87779%0.787SS**  -138.4-165.3126.840.1-28.7000114.5
427K32.2Very low30.5Very low216 Ų216138.9 Ų138.994%0.93979%0.785SS**  trans-91.2150.4-163.5-57.1160.8-175.7169.40113.4
428G32.6Very low30.5Very low76 Ų76142.1 Ų142.178%0.78480%0.795SS**  trans-130.2162.1172.200000112.1
429F30.7Very low30.2Very low173 Ų173138.9 Ų138.976%0.75979%0.793SS**  trans-159.1133.1-134.1176.5-104.2000115.3
430K29.7Very low30.1Very low183 Ų183138.8 Ų138.880%0.79680%0.798SS**  trans58.8117.9168.6-64.3-177.5-179.21740118.4
431G31.2Very low29.9Very low78 Ų78146.3 Ų146.380%0.80481%0.809SS**  trans-140.7138.3158.800000110.2
432R29.2Very low29.7Very low257 Ų257144.5 Ų144.597%0.9781%0.814SS**  trans-72.2136.5-177-89.2172.4158.9162.5-8112
433A30Very low29.5Very low96 Ų96144.7 Ų144.779%0.79382%0.818SS**  trans-108.5131.9156.800000109.6
434K31.6Very low29.5Very low198 Ų198142.6 Ų142.686%0.86182%0.815SS**  trans-95141.6167.4-76.3-175.1174.7-1760108.8
435V25.8Very low29.4Very low141 Ų141142.3 Ų142.386%0.85581%0.812SS**  trans-103.2127.9170.11770000108.7
436L24.5Very low29.3Very low113 Ų113146 Ų14659%0.59282%0.817SS**  trans-158.3175.1173.1-113.1170.5000109.7Q1300L436-Q1300 HydrophobicContact CD2-CG 4.41Å
437E28.7Very low29.1Very low153 Ų153144.5 Ų144.572%0.71581%0.809SS**  trans72116-171.2-53.9-146.5127.300113.9
438L28Very low28.8Very low164 Ų164141 Ų14186%0.85980%0.799SS**  79.413761.5-74.3158.1000112.5
439G27.1Very low28.7Very low66 Ų66146.9 Ų146.968%0.6880%0.803SS**  trans-127.5179.8-169.600000114
440S29.7Very low28.6Very low115 Ų115143.5 Ų143.580%0.80480%0.801SS**  trans82.5105.3179-55.50000117.1
441R28Very low28.6Very low236 Ų236140.1 Ų140.189%0.89180%0.8SS**  trans66.5104.5150-51.4177.4-170.2-157.53.4117.8
442C29.5Very low28.4Very low136 Ų136141.6 Ų141.692%0.91980%0.797SS**  -166.2165119.6-97.60000112.1
443I31.4Very low28.4Very low162 Ų162140.7 Ų140.783%0.83180%0.795SS**  trans-118.7131.7174.2-65.6171.8000103.8
444P30.4Very low28.3Very low122 Ų122141.4 Ų141.479%0.79280%0.795SS**  -153179.564.542-22000117.9
445G26.1Very low28.2Very low67 Ų67135.3 Ų135.369%0.69178%0.781SS**  86101.6127.800000120.3
446L27.5Very low28.4Very low179 Ų179136.8 Ų136.894%0.93778%0.784SS**  trans15118.3140.3-61.2166.6000119
447S26.5Very low28.6Very low104 Ų104139 Ų13973%0.72779%0.792SS**  179.8116.4105.4-167.10000115
448I26.9Very low28.6Very low141 Ų141141.6 Ų141.672%0.72380%0.801SS**  trans25.2114.6138.6-47.7174.6000119.4
449K30Very low28.4Very low201 Ų201137.5 Ų137.587%0.87479%0.791SS**  -175.195.2127.5-99.5158.1-174.4178.30109.1
450S28.5Very low28.5Very low101 Ų101140.4 Ų140.471%0.70680%0.795SS**  74.7103.558.7810000114.6
451S29.5Very low28.3Very low112 Ų112140.2 Ų140.278%0.78379%0.789SS**  trans-161.9108.7159.9177.50000110.1
452C28Very low28.3Very low109 Ų109140.9 Ų140.974%0.73679%0.792SS**  trans32.1126.8154.5-50.70000119
453Y28Very low28.1Very low238 Ų238139.3 Ų139.393%0.93378%0.778SS**  cis-119.3160.544.2-82.1-98.6000116.1
454S28.9Very low27.9Very low112 Ų112136.8 Ų136.878%0.78378%0.775SS**  trans-136.9156.5-175.1152.50000107.4
455A29.4Very low27.8Very low69 Ų69137.4 Ų137.457%0.5778%0.776SS**  cis-171.5163.6-2200000107.2
456N29.7Very low27.8Very low172 Ų172141.9 Ų141.992%0.9278%0.784SS**  trans-153.3117.5145.8-108.9-20.9000107
457E29.2Very low27.8Very low161 Ų161138.3 Ų138.375%0.75277%0.773SS**  trans-92.6136-163.8-63.3-177.4105.300112.7
458F27.4Very low27.8Very low206 Ų206140.8 Ų140.890%0.90478%0.777SS**  trans-115.380.1150.8-109.9-82.3000108.9V460F458-V460 VanDerWaalsContact C-N 3.28Å; F458-V460 PolarHBondContact O-N 2.84Å
459A25.5Very low27.7Very low79 Ų79145.3 Ų145.365%0.65379%0.785SS**  trans-76.570.5-177.200000112.3T461A459-T461 PolarHBondContact O-N 2.87Å
460V27.8Very low27.6Very low126 Ų126140.3 Ų140.376%0.76478%0.781SS**  trans-74.6110.6164-179.10000108.3F458 R462F458-V460 VanDerWaalsContact C-N 3.28Å; F458-V460 PolarHBondContact O-N 2.84Å; V460-R462 PolarHBondContact O-N 3.31Å
461T26.2Very low27.6Very low111 Ų111141.1 Ų141.168%0.68178%0.784SS**  trans-59.5123.9-174.948.10000112.2A459 T463A459-T461 PolarHBondContact O-N 2.87Å; T461-T463 VanDerWaalsContact C-N 3.26Å; T461-T463 PolarHBondContact O-N 3.01Å
462R26.7Very low27.4Very low250 Ų250144.1 Ų144.194%0.94378%0.778SS**  trans-7665.5-173.7-162.8178.6-172.2178.42.9113V460V460-R462 PolarHBondContact O-N 3.31Å
463T26Very low27.6Very low104 Ų104145.2 Ų145.264%0.63878%0.781SS**  trans-103.6122.4178.355.10000111.6T461T461-T463 VanDerWaalsContact C-N 3.26Å; T461-T463 PolarHBondContact O-N 3.01Å
464S26.6Very low27.8Very low108 Ų108140.9 Ų140.976%0.75577%0.77SS**  trans63.5145.9-164.277.80000113.3
465V30Very low27.7Very low136 Ų136141.2 Ų141.282%0.82477%0.772SS**  cis-98.4118.26.6-176.50000111
466N25.3Very low27.9Very low160 Ų160142.9 Ų142.986%0.85679%0.786SS**  trans-148.956.8170.7-137-10000110.9
467C27.3Very low27.9Very low104 Ų104142.6 Ų142.670%0.70378%0.779SS**  trans-136.2117.6176.8-53.50000105.9
468L26.5Very low28.2Very low157 Ų157141.9 Ų141.982%0.82278%0.78SS**SBendcis-137.2115.137.2-68.5155.9000112.8
469R26.1Very low28.4Very low236 Ų236138.2 Ų138.289%0.89177%0.77SS**  trans-143.496.1151.3-177.9173.8-72.1172.3-0.9108.1P471R469-P471 VanDerWaalsContact O-CD 3.32Å; R469-P471 WeakPolarHBondContact O-CD 3.01Å
470A26.5Very low28.8Very low96 Ų96141.8 Ų141.879%0.79378%0.784SS**  trans-68.3121.9-174.400000111.5
471P29.8Very low29Very low117 Ų117140.8 Ų140.876%0.7678%0.782SS**  trans-74.7129.7163.7-6.925.3000108.6R469 V473R469-P471 VanDerWaalsContact O-CD 3.32Å; R469-P471 WeakPolarHBondContact O-CD 3.01Å; P471-V473 PolarHBondContact O-N 2.91Å
472R23.8Very low29.3Very low175 Ų175143.7 Ų143.766%0.6679%0.792SS**  trans-95.889.4-178.7-168-177.5-168.1-178.51109.5S395S395-R472 PolarHBondContact OG-NH1 3.33Å
473V33.5Very low29.7Very low132 Ų132136.9 Ų136.980%0.878%0.78SS**  trans-124.5137.3176.1-175.90000109P471P471-V473 PolarHBondContact O-N 2.91Å
474Q31.3Very low30.1Very low148 Ų148136.4 Ų136.469%0.69278%0.782SS**  trans-89.7144.8-175.9-67.3162-78.700111N397N397-Q474 PolarHBondContact ND2-OE1 2.93Å
475S27.7Very low30.5Very low118 Ų118140.8 Ų140.883%0.82579%0.787SS**  trans-88138.4173.851.40000111.6
476A32.2Very low30.7Very low105 Ų105138 Ų13887%0.86879%0.786SS**  trans-140.7126.416100000108.7
477E30.9Very low31Very low165 Ų165137.7 Ų137.777%0.77178%0.783SS**  trans-100162.1-178.5-56.8174.2135.800110.5
478N35Very low31.4Very low146 Ų146141.2 Ų141.278%0.78179%0.794SS**  178.2100.5126.5-95.3-51.3000114.7
479N32.6Very low31.4Very low129 Ų129143 Ų14369%0.6980%0.795SS**  25.8126.2125.5-52.8-57000121.2
480V33.1Very low31.7Very low155 Ų155136.9 Ų136.994%0.93979%0.789SS**  trans-137.6145.5133.3-178.30000108.2
481S32.1Very low31.9Very low104 Ų104137.6 Ų137.673%0.72779%0.788SS**  trans-137.8164.3-173.559.70000112
482L32.2Very low31.8Very low172 Ų172139.6 Ų139.690%0.90179%0.792SS**  trans-163160.3157.8-116.387.8000108.7
483P35.1Very low32.1Very low107 Ų107138.3 Ų138.370%0.69580%0.798SS**  trans-144.7-169.8-132.941.2-19.6000117.8
484S35.4Very low31.9Very low95 Ų95139.1 Ų139.166%0.66480%0.798SS**  trans78.6148.6159.7-62.90000118.2
485K35Very low31.8Very low199 Ų199140.8 Ų140.887%0.86580%0.803SS**  cis-164.1157.8-5.3-111.4164.9-168.1175.50110.1
486G33.7Very low32.3Very low77 Ų77141.9 Ų141.979%0.79480%0.795SS**  trans99.895.4165.300000114.7
487L31.9Very low33Very low155 Ų155143.3 Ų143.381%0.81279%0.793SS**  91.189.360.8-173.975000114.1
488L34Very low34Very low178 Ų178139.2 Ų139.293%0.93278%0.779SS**  trans-147.5157.4136.5-96.7177.3000107.8
489K28.2Very low35.4Very low193 Ų193134.3 Ų134.384%0.83976%0.756SS**  trans-121.1132-170.4-68.4-179.6178.7177.70112.8
490S31.9Very low37.4Very low109 Ų109128.4 Ų128.476%0.76273%0.725SS**  trans-151.4106.7159.356.70000111.4
491S31Very low39.8Very low111 Ų111122.6 Ų122.678%0.77669%0.691SS**  trans24.8102.8159.656.20000119.6
492N26.9Very low42.5Very low158 Ų158119 Ų11985%0.84567%0.665SS**  trans-74.8130150.6-76.9-25.7000109.3
493L30.3Very low45.3Very low149 Ų149110.9 Ų110.978%0.7862%0.622SS**  trans-105.2106162.7-82169.5000108.9F495L493-F495 PolarHBondContact O-N 2.81Å
494N29.5Very low48Very low148 Ų148106.4 Ų106.479%0.79159%0.592SS**  trans-73.4110170.3-71.8-11.7000108.6E496N494-E496 PolarHBondContact O-N 2.84Å
495F29.4Very low50.8Low184 Ų184101.9 Ų101.981%0.80756%0.56SS**  trans-71.2106.5169.8-92.8-93.5000110L493L493-F495 PolarHBondContact O-N 2.81Å
496E38.9Very low53.5Low141 Ų14195 Ų9566%0.65953%0.529SS*.  trans-63.5142.3166.4-68.9-163.1121.100110.6N494 V498N494-E496 PolarHBondContact O-N 2.84Å; E496-V498 WeakPolarHBondContact O-CG2 3.22Å; E496-V498 PolarHBondContact O-N 3.46Å
497T45.8Very low56.2Low135 Ų13591.4 Ų91.483%0.82849%0.492SS*.  trans-78.184.4-175.251.90000111.3S499T497-S499 PolarHBondContact O-N 3.48Å
498V51.7Low58.9Low79 Ų7986.7 Ų86.748%0.47948%0.475SS..  trans-59.3101.6-175.6-1430000111.7F243 E496 I500F243-V498 HydrophobicContact CD1-CB 4.25Å; F243-V498 HydrophobicContact CD1-CG1 3.51Å; F243-V498 HydrophobicContact CE1-CB 3.89Å; F243-V498 HydrophobicContact CE1-CG1 3.46Å; F243-V498 VanDerWaalsContact CE1-CG1 3.46Å; F243-V498 HydrophobicContact CG-CG1 4.27Å; F243-V498 HydrophobicContact CZ-CG1 4.22Å; E496-V498 WeakPolarHBondContact O-CG2 3.22Å; E496-V498 PolarHBondContact O-N 3.46Å; V498-I500 PolarHBondContact O-N 2.91Å
499S64.1Low61.3Low42 Ų4279.8 Ų79.829%0.29444%0.439SS..  trans-84.2104-17062.60000112.2F243 P244 T497F243-S499 WeakPolarHBondContact CD1-O 3.4Å; P244-S499 WeakPolarHBondContact CD-O 3.46Å; P244-S499 WeakPolarHBondContact CG-OG 3.47Å; T497-S499 PolarHBondContact O-N 3.48Å
500I75.1Confident64Low6 Ų673.9 Ų73.93%0.03142%0.42CS..  trans-67.3135174.6-53.9159.7000109.9M241 F243 F289 L310 C314 V498 V503M241-I500 HydrophobicContact CB-CG2 4.32Å; M241-I500 HydrophobicContact SD-CD1 3.71Å; M241-I500 HydrophobicContact SD-CG1 4.44Å; F243-I500 HydrophobicContact CD1-CG1 4.18Å; F243-I500 HydrophobicContact CE1-CB 4.29Å; F243-I500 HydrophobicContact CE1-CG1 3.42Å; F243-I500 VanDerWaalsContact CE1-CG1 3.42Å; F243-I500 HydrophobicContact CZ-CG1 3.82Å; F289-I500 HydrophobicContact CE1-CD1 4.24Å; L310-I500 HydrophobicContact CD1-CB 4.32Å; L310-I500 HydrophobicContact CD1-CG2 4.14Å; C314-I500 HydrophobicContact CB-CB 3.88Å; C314-I500 HydrophobicContact CB-CD1 4.25Å; C314-I500 HydrophobicContact CB-CG1 4.4Å; V498-I500 PolarHBondContact O-N 2.91Å; I500-V503 HydrophobicContact CG2-CG2 3.68Å
501S83.6Confident66.5Low32 Ų3273.6 Ų73.622%0.22441%0.41CS..  trans-114.5-35179.565.50000114K242 L310K242-S501 PolarHBondContact O-N 2.96Å; K242-S501 PolarHBondContact O-OG 2.79Å; K242-S501 VanDerWaalsContact O-OG 3.06Å; L310-S501 PolarHBondContact N-O 3.46Å
502V88.9Confident69.1Low30 Ų3070.1 Ų70.118%0.18238%0.382CS..EExtended strand (participates in β ladder)trans-138.6136.2176.6-174.20000109.8K242 T307 I308 K309 E504K242-V502 HydrophobicContact CB-CB 4.23Å; K242-V502 PolarHBondContact N-O 2.83Å; K242-V502 PolarHBondContact O-N 2.78Å; T307-V502 HydrophobicContact CG2-CG1 3.72Å; I308-V502 WeakPolarHBondContact O-CA 3.29Å; K309-V502 HydrophobicContact CG-CG1 4.4Å; K309-V502 HydrophobicContact CG-CG2 4.33Å; V502-E504 HydrophobicContact CG1-CG 4.08Å
503V90.8Very high72Confident0 Ų062.6 Ų62.60%034%0.341CS..EExtended strand (participates in β ladder)trans-117.9121.3173.3-178.30000108.2V239 M241 L278 F291 I308 L310 I500 V505V239-V503 HydrophobicContact CG1-CG1 4.35Å; M241-V503 HydrophobicContact CG-CG1 4.42Å; M241-V503 HydrophobicContact CG-CG2 4.33Å; M241-V503 HydrophobicContact SD-CG2 4.48Å; L278-V503 HydrophobicContact CD1-CG1 4.23Å; F291-V503 HydrophobicContact CE1-CG2 3.91Å; F291-V503 HydrophobicContact CE2-CG1 4.48Å; F291-V503 HydrophobicContact CE2-CG2 4.47Å; F291-V503 HydrophobicContact CZ-CG1 4.36Å; F291-V503 HydrophobicContact CZ-CG2 3.76Å; I308-V503 HydrophobicContact CB-CB 4.38Å; I308-V503 PolarHBondContact N-O 3.36Å; I308-V503 PolarHBondContact O-N 3.46Å; L310-V503 HydrophobicContact CD1-CG2 4.48Å; I500-V503 HydrophobicContact CG2-CG2 3.68Å; V503-V505 HydrophobicContact CG1-CG2 4.03Å
504E93Very high74.8Confident14 Ų1461.9 Ų61.97%0.06533%0.332CS..EExtended strand (participates in β ladder)trans-108.9135.4179.2-54.5-173.5146.700108.7V239 R240 K242 K305 T307 V502 W506V239-E504 CarbonylContact C-O 3.42Å; V239-E504 WeakPolarHBondContact CA-O 3.26Å; R240-E504 HydrophobicContact CB-CB 4.39Å; R240-E504 PolarHBondContact N-O 2.91Å; R240-E504 PolarHBondContact O-N 3.41Å; K242-E504 VanDerWaalsContact CE-CD 3.45Å; K242-E504 WeakPolarHBondContact CE-OE2 3.42Å; K242-E504 IonicContact NZ-OE1 2.71Å; K242-E504 PolarHBondContact NZ-OE1 2.82Å; K242-E504 IonicContact NZ-OE2 2.72Å; K242-E504 PolarHBondContact NZ-OE2 3.36Å; K305-E504 WeakPolarHBondContact CE-OE1 3.39Å; K305-E504 WeakPolarHBondContact CE-OE2 3.41Å; K305-E504 IonicContact NZ-OE1 3.86Å; K305-E504 PolarHBondContact NZ-OE1 3.14Å; K305-E504 IonicContact NZ-OE2 2.88Å; K305-E504 PolarHBondContact NZ-OE2 2.88Å; T307-E504 HydrophobicContact CG2-CG 4.22Å; V502-E504 HydrophobicContact CG1-CG 4.08Å; E504-W506 HydrophobicContact CB-CE3 4.43Å; E504-W506 HydrophobicContact CB-CH2 3.61Å; E504-W506 HydrophobicContact CB-CZ3 3.44Å; E504-W506 VanDerWaalsContact CB-CZ3 3.44Å; E504-W506 WeakPolarHBondContact O-CZ3 3.29Å
505V92.5Very high77.6Confident0 Ų056.7 Ų56.70%031%0.305CS..EExtended strand (participates in β ladder)trans-139.1133.9-171.2-178.90000109I236 V239 L278 F306 V503I236-V505 HydrophobicContact CB-CG1 3.84Å; I236-V505 HydrophobicContact CD1-CG1 3.68Å; I236-V505 HydrophobicContact CG1-CG1 4.33Å; I236-V505 HydrophobicContact CG2-CG1 3.4Å; V239-V505 HydrophobicContact CG2-CG1 4.45Å; V239-V505 HydrophobicContact CG2-CG2 4.46Å; L278-V505 HydrophobicContact CD2-CG2 4.29Å; F306-V505 WeakPolarHBondContact CA-O 3.47Å; F306-V505 HydrophobicContact CB-CB 4.44Å; F306-V505 PolarHBondContact N-O 3.28Å; F306-V505 PolarHBondContact O-N 3.44Å; V503-V505 HydrophobicContact CG1-CG2 4.03Å
506W92.9Very high80.6Confident53 Ų5347.9 Ų47.920%0.20127%0.267CS..EExtended strand (participates in β ladder)trans-107.8111.8-178.6-75.4-112.1000109.9I236 V237 Y238 R240 K305 E504I236-W506 CarbonylContact C-O 3.56Å; I236-W506 VanDerWaalsContact CA-O 3.25Å; I236-W506 WeakPolarHBondContact CA-O 3.46Å; I236-W506 WeakPolarHBondContact CB-O 3.34Å; V237-W506 PolarHBondContact N-O 3.36Å; Y238-W506 AromaticContact CD1-CD2 3.85Å; Y238-W506 HydrophobicContact CD1-CD2 3.85Å; Y238-W506 AromaticContact CD1-CE3 3.45Å; Y238-W506 HydrophobicContact CD1-CE3 3.45Å; Y238-W506 VanDerWaalsContact CD1-CE3 3.45Å; Y238-W506 HydrophobicContact CD1-CH2 4.18Å; Y238-W506 HydrophobicContact CD1-CZ2 4.49Å; Y238-W506 AromaticContact CD1-CZ3 3.64Å; Y238-W506 HydrophobicContact CD1-CZ3 3.64Å; Y238-W506 HydrophobicContact CE1-CE3 4.12Å; Y238-W506 HydrophobicContact CE1-CH2 4.07Å; Y238-W506 AromaticContact CE1-CZ3 3.8Å; Y238-W506 HydrophobicContact CE1-CZ3 3.8Å; Y238-W506 HydrophobicContact CG-CE3 4.34Å; Y238-W506 PolarHBondContact O-N 2.92Å; R240-W506 HydrophobicContact CB-CH2 4.15Å; R240-W506 HydrophobicContact CB-CZ3 3.83Å; K305-W506 HydrophobicContact CD-CH2 4.21Å; K305-W506 HydrophobicContact CD-CZ2 3.65Å; K305-W506 HydrophobicContact CG-CD2 4.24Å; K305-W506 HydrophobicContact CG-CH2 4.37Å; K305-W506 HydrophobicContact CG-CZ2 3.89Å; E504-W506 HydrophobicContact CB-CE3 4.43Å; E504-W506 HydrophobicContact CB-CH2 3.61Å; E504-W506 HydrophobicContact CB-CZ3 3.44Å; E504-W506 VanDerWaalsContact CB-CZ3 3.44Å; E504-W506 WeakPolarHBondContact O-CZ3 3.29Å
507L90.5Very high83.2Confident3 Ų343.3 Ų43.32%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-68.4143.1176.1-67.6161.8000110.4F234 I236 R304 D509 A513 V516F234-L507 HydrophobicContact CB-CD2 3.92Å; I236-L507 HydrophobicContact CG2-CD2 3.86Å; R304-L507 PolarHBondContact O-N 2.85Å; L507-D509 VanDerWaalsContact C-N 3.33Å; L507-A513 HydrophobicContact CD1-CB 3.7Å; L507-V516 HydrophobicContact CD1-CG2 4.16Å; L507-V516 HydrophobicContact CD2-CG2 4.08Å
508A87.9Confident85.4Confident56 Ų5639.5 Ų39.546%0.46323%0.225SC..SBendtrans-67.9-35.1176.200000112.2P235 V237P235-A508 HydrophobicContact CB-CB 4.07Å; P235-A508 HydrophobicContact CG-CB 4.13Å; P235-A508 PolarHBondContact O-N 3.09Å; V237-A508 HydrophobicContact CG2-CB 3.81Å
509D84.5Confident87.3Confident32 Ų3235.8 Ų35.817%0.17120%0.203CC..SBendtrans-113.8117.2174171.818.2000110.3L507 N511 Q512L507-D509 VanDerWaalsContact C-N 3.33Å; D509-N511 PolarHBondContact O-N 3.41Å; D509-N511 VanDerWaalsContact OD1-CB 3.27Å; D509-N511 WeakPolarHBondContact OD1-CB 3.39Å; D509-N511 PolarHBondContact OD1-N 2.86Å; D509-N511 PolarHBondContact OD1-ND2 3.37Å; D509-Q512 HydrophobicContact CB-CG 4.29Å; D509-Q512 PolarHBondContact O-N 2.95Å; D509-Q512 WeakPolarHBondContact OD2-CG 3.36Å; D509-Q512 PolarHBondContact OD2-NE2 2.92Å
510P85.2Confident88.8Confident69 Ų6933.9 Ų33.945%0.44819%0.189SC..G310 helixtrans-64.3-23.8177.626.3-34000113.4R304 Q512 A513R304-P510 HydrophobicContact CB-CB 4.13Å; P510-Q512 VanDerWaalsContact C-N 3.28Å; P510-Q512 PolarHBondContact O-N 2.65Å; P510-A513 WeakPolarHBondContact O-CB 3.28Å; P510-A513 PolarHBondContact O-N 3.19Å
511N83.7Confident89.8Confident103 Ų10336.4 Ų36.455%0.55121%0.211SC*.G310 helixtrans-67.5-32.4-179.2-60.1-73000111.6D509 A513D509-N511 PolarHBondContact O-N 3.41Å; D509-N511 VanDerWaalsContact OD1-CB 3.27Å; D509-N511 WeakPolarHBondContact OD1-CB 3.39Å; D509-N511 PolarHBondContact OD1-N 2.86Å; D509-N511 PolarHBondContact OD1-ND2 3.37Å; N511-A513 PolarHBondContact O-N 2.9Å
512Q85.6Confident90.3Very high38 Ų3835.7 Ų35.718%0.17821%0.208CC..G310 helixtrans-67.3-19177.6-75167.545.700113.6F234 D509 P510 K514 T515 V516F234-Q512 HydrophobicContact CD1-CB 4.37Å; D509-Q512 HydrophobicContact CB-CG 4.29Å; D509-Q512 PolarHBondContact O-N 2.95Å; D509-Q512 WeakPolarHBondContact OD2-CG 3.36Å; D509-Q512 PolarHBondContact OD2-NE2 2.92Å; P510-Q512 VanDerWaalsContact C-N 3.28Å; P510-Q512 PolarHBondContact O-N 2.65Å; Q512-K514 PolarHBondContact O-N 3.47Å; Q512-K514 VanDerWaalsContact O-N 3.16Å; Q512-T515 CarbonylContact O-C 3.59Å; Q512-T515 WeakPolarHBondContact O-CA 3.4Å; Q512-T515 WeakPolarHBondContact O-CB 3.42Å; Q512-T515 PolarHBondContact O-N 3.12Å; Q512-V516 WeakPolarHBondContact O-CG2 3.25Å; Q512-V516 PolarHBondContact O-N 3.18Å
513A89.3Confident90.7Very high0 Ų034.3 Ų34.30%020%0.2CC..Hα-helixtrans-57-35.4-179.700000113Y301 L507 P510 N511 M517Y301-A513 HydrophobicContact CD2-CB 3.49Å; Y301-A513 VanDerWaalsContact CD2-CB 3.49Å; Y301-A513 HydrophobicContact CE2-CB 3.91Å; Y301-A513 HydrophobicContact CG-CB 3.98Å; L507-A513 HydrophobicContact CD1-CB 3.7Å; P510-A513 WeakPolarHBondContact O-CB 3.28Å; P510-A513 PolarHBondContact O-N 3.19Å; N511-A513 PolarHBondContact O-N 2.9Å; A513-M517 WeakPolarHBondContact O-CB 3.26Å; A513-M517 PolarHBondContact O-N 2.65Å
514K88.7Confident91Very high135 Ų13537.6 Ų37.659%0.58722%0.215SC*.Hα-helixtrans-67.5-35.5173.7-72165.3-177.7165.40112.4Y301 Q512 S518Y301-K514 HydrophobicContact CE2-CG 4.45Å; Y301-K514 WeakPolarHBondContact OH-CG 3.43Å; Q512-K514 PolarHBondContact O-N 3.47Å; Q512-K514 VanDerWaalsContact O-N 3.16Å; K514-S518 PolarHBondContact O-N 3.23Å
515T88.4Confident91.1Very high38 Ų3840 Ų4023%0.23323%0.234CC..Hα-helixtrans-71.6-51.5175.9-56.20000110.6F234 Q512 M517 S518 M519F234-T515 HydrophobicContact CE1-CG2 4.15Å; F234-T515 HydrophobicContact CZ-CG2 4.37Å; Q512-T515 CarbonylContact O-C 3.59Å; Q512-T515 WeakPolarHBondContact O-CA 3.4Å; Q512-T515 WeakPolarHBondContact O-CB 3.42Å; Q512-T515 PolarHBondContact O-N 3.12Å; T515-M517 VanDerWaalsContact C-N 3.28Å; T515-M517 PolarHBondContact O-N 3.19Å; T515-S518 WeakPolarHBondContact O-CA 3.39Å; T515-S518 WeakPolarHBondContact O-CB 3.44Å; T515-S518 PolarHBondContact O-N 3.12Å; T515-M519 HydrophobicContact CG2-CG 4.44Å; T515-M519 WeakPolarHBondContact O-CG 3.42Å; T515-M519 PolarHBondContact O-N 3.46Å
516V91.5Very high91.3Very high0 Ų040.5 Ų40.50%024%0.236CC..Hα-helixtrans-51.4-48.5175.4178.70000110.4F234 L269 V271 F306 L507 Q512 S518 M519 C520F234-V516 HydrophobicContact CB-CG2 4.17Å; F234-V516 HydrophobicContact CD1-CG2 3.44Å; F234-V516 VanDerWaalsContact CD1-CG2 3.44Å; F234-V516 HydrophobicContact CD2-CG2 3.81Å; F234-V516 HydrophobicContact CE1-CG2 3.67Å; F234-V516 HydrophobicContact CE2-CG2 4.03Å; F234-V516 HydrophobicContact CG-CG2 3.51Å; F234-V516 HydrophobicContact CZ-CG2 3.97Å; L269-V516 HydrophobicContact CD2-CG1 3.95Å; V271-V516 HydrophobicContact CG2-CG1 4.33Å; F306-V516 HydrophobicContact CD2-CG1 4.01Å; F306-V516 HydrophobicContact CE1-CG1 4.37Å; F306-V516 HydrophobicContact CE2-CB 4.15Å; F306-V516 HydrophobicContact CE2-CG1 3.53Å; F306-V516 HydrophobicContact CZ-CG1 3.73Å; L507-V516 HydrophobicContact CD1-CG2 4.16Å; L507-V516 HydrophobicContact CD2-CG2 4.08Å; Q512-V516 WeakPolarHBondContact O-CG2 3.25Å; Q512-V516 PolarHBondContact O-N 3.18Å; V516-S518 PolarHBondContact O-N 2.94Å; V516-M519 PolarHBondContact O-N 3.27Å; V516-C520 PolarHBondContact O-N 2.91Å; V516-C520 PolarHBondContact O-SG 3.06Å
517M93.4Very high91.5Very high44 Ų4438.2 Ų38.222%0.21723%0.228CC..Hα-helixtrans-60.5-41.3178.2-173.453.969.900112.8V299 Y301 F306 A513 T515 C520 A521V299-M517 HydrophobicContact CB-CE 4.16Å; V299-M517 HydrophobicContact CG2-CE 4.06Å; V299-M517 HydrophobicContact CG2-SD 3.85Å; V299-M517 WeakPolarHBondContact O-CE 3.5Å; Y301-M517 HydrophobicContact CD1-CB 4.27Å; Y301-M517 HydrophobicContact CD1-CE 3.85Å; Y301-M517 HydrophobicContact CD1-CG 4.41Å; Y301-M517 HydrophobicContact CE1-CB 4.24Å; Y301-M517 HydrophobicContact CE1-CG 4.32Å; F306-M517 HydrophobicContact CE2-CE 3.76Å; F306-M517 HydrophobicContact CZ-CE 3.99Å; A513-M517 WeakPolarHBondContact O-CB 3.26Å; A513-M517 PolarHBondContact O-N 2.65Å; T515-M517 VanDerWaalsContact C-N 3.28Å; T515-M517 PolarHBondContact O-N 3.19Å; M517-C520 PolarHBondContact O-N 3.4Å; M517-A521 WeakPolarHBondContact O-CB 3.28Å; M517-A521 PolarHBondContact O-N 3.23Å
518S91.9Very high91.7Very high55 Ų5542.3 Ų42.339%0.38525%0.248SC..Hα-helixtrans-64.7-38.7175-177.60000112.7K95 K514 T515 V516 G522K95-S518 PolarHBondContact NZ-OG 2.68Å; K514-S518 PolarHBondContact O-N 3.23Å; T515-S518 WeakPolarHBondContact O-CA 3.39Å; T515-S518 WeakPolarHBondContact O-CB 3.44Å; T515-S518 PolarHBondContact O-N 3.12Å; V516-S518 PolarHBondContact O-N 2.94Å; S518-G522 PolarHBondContact O-N 3.43Å; S518-G522 VanDerWaalsContact O-N 3.15Å
519M92.8Very high92.1Very high2 Ų245.3 Ų45.31%0.0125%0.247CC..Hα-helixtrans-70.2-38.2177.4-59.6-52.9-77.700111.6K95 F96 D232 F234 V271 T515 V516 N523K95-M519 HydrophobicContact CD-SD 4.41Å; K95-M519 WeakPolarHBondContact CE-SD 3.45Å; K95-M519 HydrophobicContact CG-CE 4Å; K95-M519 HydrophobicContact CG-SD 4.11Å; K95-M519 VanDerWaalsContact O-CE 3.25Å; K95-M519 WeakPolarHBondContact O-CE 3.37Å; F96-M519 HydrophobicContact CE1-CE 4.23Å; F96-M519 HydrophobicContact CE1-SD 4.31Å; D232-M519 WeakPolarHBondContact OD2-CE 3.46Å; F234-M519 HydrophobicContact CZ-CG 4.32Å; V271-M519 HydrophobicContact CB-CB 4.5Å; V271-M519 HydrophobicContact CG1-CB 4.05Å; T515-M519 HydrophobicContact CG2-CG 4.44Å; T515-M519 WeakPolarHBondContact O-CG 3.42Å; T515-M519 PolarHBondContact O-N 3.46Å; V516-M519 PolarHBondContact O-N 3.27Å; M519-N523 WeakPolarHBondContact O-CB 3.36Å; M519-N523 PolarHBondContact O-N 3.38Å; M519-N523 PolarHBondContact O-ND2 2.86Å
520C95.8Very high92.6Very high1 Ų146.7 Ų46.71%0.00725%0.25CC..Hα-helixtrans-63.1-50.2174.9-64.50000111.7W293 V299 V516 M517 G522 N523 H524W293-C520 HydrophobicContact CH2-CB 3.86Å; W293-C520 HydrophobicContact CZ3-CB 4.22Å; V299-C520 HydrophobicContact CG2-CB 4.27Å; V516-C520 PolarHBondContact O-N 2.91Å; V516-C520 PolarHBondContact O-SG 3.06Å; M517-C520 PolarHBondContact O-N 3.4Å; C520-G522 VanDerWaalsContact C-N 3.33Å; C520-G522 PolarHBondContact O-N 2.92Å; C520-N523 PolarHBondContact O-N 2.91Å; C520-H524 VanDerWaalsContact O-CB 3.26Å; C520-H524 WeakPolarHBondContact O-CB 3.34Å; C520-H524 PolarHBondContact O-N 3.4Å
521A95.1Very high93Very high60 Ų6049.3 Ų49.350%0.49625%0.251SS..Hα-helixtrans-61.2-40.4-179.400000112.4M517 S525M517-A521 WeakPolarHBondContact O-CB 3.28Å; M517-A521 PolarHBondContact O-N 3.23Å; A521-S525 VanDerWaalsContact O-CB 3.3Å; A521-S525 WeakPolarHBondContact O-CB 3.45Å; A521-S525 PolarHBondContact O-N 2.96Å
522G94.8Very high93.5Very high16 Ų1650.5 Ų50.517%0.16525%0.253CS..Hα-helixtrans-69-49177.500000113.7S518 C520 H524 S525 L526S518-G522 PolarHBondContact O-N 3.43Å; S518-G522 VanDerWaalsContact O-N 3.15Å; C520-G522 VanDerWaalsContact C-N 3.33Å; C520-G522 PolarHBondContact O-N 2.92Å; G522-H524 PolarHBondContact O-N 3.27Å; G522-S525 WeakPolarHBondContact O-CB 3.48Å; G522-S525 PolarHBondContact O-N 3.33Å; G522-L526 PolarHBondContact O-N 3.02Å
523N96.8Very high93.9Very high2 Ų254 Ų541%0.01128%0.279CS..Hα-helixtrans-61.9-42.7177.2-80.4-68.4000111.7W293 M519 C520 S525 L526 F527W293-N523 HydrophobicContact CZ2-CB 3.63Å; M519-N523 WeakPolarHBondContact O-CB 3.36Å; M519-N523 PolarHBondContact O-N 3.38Å; M519-N523 PolarHBondContact O-ND2 2.86Å; C520-N523 PolarHBondContact O-N 2.91Å; N523-S525 PolarHBondContact O-N 2.88Å; N523-L526 PolarHBondContact O-N 3.48Å; N523-F527 WeakPolarHBondContact O-CB 2.98Å; N523-F527 PolarHBondContact O-N 3.34Å
524H96.5Very high94.2Very high69 Ų6957.1 Ų57.132%0.31930%0.296SS..Hα-helixtrans-62.5-41174.9-177.674.2000112.4W293 C520 G522 L526 F527 M528W293-H524 HydrophobicContact CD2-CB 4.17Å; W293-H524 HydrophobicContact CE3-CB 3.93Å; W293-H524 HydrophobicContact CZ3-CB 4.34Å; C520-H524 VanDerWaalsContact O-CB 3.26Å; C520-H524 WeakPolarHBondContact O-CB 3.34Å; C520-H524 PolarHBondContact O-N 3.4Å; G522-H524 PolarHBondContact O-N 3.27Å; H524-L526 VanDerWaalsContact C-N 3.35Å; H524-L526 PolarHBondContact O-N 3.25Å; H524-F527 PolarHBondContact O-N 3.03Å; H524-M528 VanDerWaalsContact O-CG 3.3Å; H524-M528 WeakPolarHBondContact O-CG 3.38Å; H524-M528 PolarHBondContact O-N 3.49Å
525S96.3Very high94.5Very high65 Ų6553.6 Ų53.646%0.45529%0.288SS..Hα-helixtrans-60.2-42.2175.9-172.90000112.3A521 G522 N523 R529A521-S525 VanDerWaalsContact O-CB 3.3Å; A521-S525 WeakPolarHBondContact O-CB 3.45Å; A521-S525 PolarHBondContact O-N 2.96Å; G522-S525 WeakPolarHBondContact O-CB 3.48Å; G522-S525 PolarHBondContact O-N 3.33Å; N523-S525 PolarHBondContact O-N 2.88Å; S525-R529 WeakPolarHBondContact O-CB 3.39Å; S525-R529 PolarHBondContact O-N 3.02Å
526L96.5Very high94.8Very high9 Ų957.4 Ų57.45%0.04731%0.306CS..Hα-helixtrans-70.4-42.6175.6-67.2174.9000112.6W49 F96 G522 N523 H524 M528 R529 R530W49-L526 HydrophobicContact CB-CD2 4.19Å; W49-L526 HydrophobicContact CG-CD2 4.04Å; F96-L526 HydrophobicContact CB-CD1 3.43Å; F96-L526 VanDerWaalsContact CB-CD1 3.43Å; F96-L526 HydrophobicContact CD2-CD1 4.06Å; F96-L526 HydrophobicContact CG-CD1 3.78Å; G522-L526 PolarHBondContact O-N 3.02Å; N523-L526 PolarHBondContact O-N 3.48Å; H524-L526 VanDerWaalsContact C-N 3.35Å; H524-L526 PolarHBondContact O-N 3.25Å; L526-M528 VanDerWaalsContact C-N 3.28Å; L526-M528 PolarHBondContact O-N 2.99Å; L526-R529 WeakPolarHBondContact O-CB 3.32Å; L526-R529 PolarHBondContact O-N 3.46Å; L526-R529 VanDerWaalsContact O-N 3.13Å; L526-R530 WeakPolarHBondContact O-CG 3.26Å; L526-R530 PolarHBondContact O-N 2.8Å
527F96.6Very high94.9Very high6 Ų661.4 Ų61.43%0.02633%0.325CS..Hα-helixtrans-55.1-43.5173.7174.2-86.8000111.8W293 N294 N523 H524 R531W293-F527 HydrophobicContact CB-CB 4.19Å; W293-F527 HydrophobicContact CB-CD1 3.47Å; W293-F527 VanDerWaalsContact CB-CD1 3.47Å; W293-F527 HydrophobicContact CB-CD2 3.69Å; W293-F527 HydrophobicContact CB-CE1 3.61Å; W293-F527 HydrophobicContact CB-CE2 3.79Å; W293-F527 HydrophobicContact CB-CG 3.52Å; W293-F527 HydrophobicContact CB-CZ 3.76Å; W293-F527 AromaticContact CD1-CD2 3.57Å; W293-F527 AromaticContact CD1-CG 3.72Å; W293-F527 HydrophobicContact CG-CB 4.14Å; W293-F527 HydrophobicContact CG-CD1 4.32Å; W293-F527 HydrophobicContact CG-CD2 4.02Å; W293-F527 HydrophobicContact CG-CE2 4.47Å; W293-F527 AromaticContact CG-CG 3.92Å; W293-F527 HydrophobicContact CG-CG 3.92Å; N294-F527 HydrophobicContact CB-CE1 4.02Å; N294-F527 HydrophobicContact CB-CZ 3.88Å; N523-F527 WeakPolarHBondContact O-CB 2.98Å; N523-F527 PolarHBondContact O-N 3.34Å; H524-F527 PolarHBondContact O-N 3.03Å; F527-R531 VanDerWaalsContact CD2-CZ 3.42Å; F527-R531 VanDerWaalsContact CE2-NH2 3.28Å; F527-R531 WeakPolarHBondContact O-CD 3.37Å; F527-R531 PolarHBondContact O-NH1 2.66Å
528M95.4Very high95Very high89 Ų8960 Ų6044%0.43832%0.318SS..Hα-helixtrans-69.6-40.5176.1-67.5-62.7-78.100111.7H524 L526 R530 R531 Q532H524-M528 VanDerWaalsContact O-CG 3.3Å; H524-M528 WeakPolarHBondContact O-CG 3.38Å; H524-M528 PolarHBondContact O-N 3.49Å; L526-M528 VanDerWaalsContact C-N 3.28Å; L526-M528 PolarHBondContact O-N 2.99Å; M528-R530 PolarHBondContact O-N 2.83Å; M528-R531 PolarHBondContact O-N 3.22Å; M528-R531 VanDerWaalsContact O-N 3.16Å; M528-Q532 PolarHBondContact O-N 3.4Å
529R95.1Very high95.2Very high119 Ų11962.2 Ų62.245%0.44932%0.323SS..Hα-helixtrans-58-45176-175.8-177.9-64.5167.30.8112.4S525 L526 R531 Q532S525-R529 WeakPolarHBondContact O-CB 3.39Å; S525-R529 PolarHBondContact O-N 3.02Å; L526-R529 WeakPolarHBondContact O-CB 3.32Å; L526-R529 PolarHBondContact O-N 3.46Å; L526-R529 VanDerWaalsContact O-N 3.13Å; R529-R531 PolarHBondContact O-N 3.02Å; R529-R531 VanDerWaalsContact O-N 3.13Å; R529-Q532 PolarHBondContact O-N 2.67Å; R529-Q532 VanDerWaalsContact O-N 3.12Å
530R94.8Very high95.3Very high60 Ų6067.1 Ų67.123%0.22635%0.346CS..THydrogen-bonded Turntrans-61-18.9178.3-69.8161.7-176.6141.44.3114.5F97 E99 E104 L526 M528F97-R530 PolarHBondContact O-NH2 3.23Å; E99-R530 WeakPolarHBondContact OE1-CD 3.48Å; E99-R530 IonicContact OE1-CZ 3.54Å; E99-R530 IonicContact OE1-NE 3.97Å; E99-R530 IonicContact OE1-NH1 3.63Å; E99-R530 PolarHBondContact OE1-NH1 3.03Å; E104-R530 IonicContact OE1-CZ 3.78Å; E104-R530 IonicContact OE1-NE 2.89Å; E104-R530 PolarHBondContact OE1-NE 2.74Å; E104-R530 IonicContact OE1-NH2 2.78Å; E104-R530 IonicContact OE2-CZ 2.71Å; E104-R530 VanDerWaalsContact OE2-CZ 3.27Å; E104-R530 IonicContact OE2-NE 3.19Å; E104-R530 PolarHBondContact OE2-NE 3.33Å; E104-R530 IonicContact OE2-NH2 3.75Å; E104-R530 PolarHBondContact OE2-NH2 2.99Å; L526-R530 WeakPolarHBondContact O-CG 3.26Å; L526-R530 PolarHBondContact O-N 2.8Å; M528-R530 PolarHBondContact O-N 2.83Å
531R94.6Very high95.3Very high124 Ų12467.2 Ų67.247%0.46835%0.346SS..THydrogen-bonded Turntrans-100.6-3.9-177.5-70.8161.7179.771.38.3112.5E99 F527 M528 R529E99-R531 IonicContact OE1-CZ 3.06Å; E99-R531 IonicContact OE1-NH1 3.8Å; E99-R531 PolarHBondContact OE1-NH1 3.49Å; E99-R531 IonicContact OE1-NH2 2.79Å; E99-R531 IonicContact OE2-CZ 2.93Å; E99-R531 IonicContact OE2-NH1 3.42Å; E99-R531 PolarHBondContact OE2-NH1 2.68Å; E99-R531 IonicContact OE2-NH2 2.73Å; E99-R531 PolarHBondContact OE2-NH2 2.78Å; F527-R531 VanDerWaalsContact CD2-CZ 3.42Å; F527-R531 VanDerWaalsContact CE2-NH2 3.28Å; F527-R531 WeakPolarHBondContact O-CD 3.37Å; F527-R531 PolarHBondContact O-NH1 2.66Å; M528-R531 PolarHBondContact O-N 3.22Å; M528-R531 VanDerWaalsContact O-N 3.16Å; R529-R531 PolarHBondContact O-N 3.02Å; R529-R531 VanDerWaalsContact O-N 3.13Å
532Q93.2Very high95.3Very high128 Ų12867.4 Ų67.460%0.59833%0.334SS*.SBendtrans-93.2161.4164-59.3-57.2-31.600110.1M528 R529M528-Q532 PolarHBondContact O-N 3.4Å; R529-Q532 PolarHBondContact O-N 2.67Å; R529-Q532 VanDerWaalsContact O-N 3.12Å
533P94.9Very high95.3Very high111 Ų11168.5 Ų68.572%0.72134%0.342SS*.PPolyproline II helixtrans-58.1148.3167.5-22.334.1000112S535P533-S535 PolarHBondContact O-N 2.8Å
534D94.3Very high95.2Very high67 Ų6773.4 Ų73.436%0.35836%0.364SS..PPolyproline II helixtrans-51.4131172.3-79.1-30.2000110.4V538 Q539 R542D534-V538 HydrophobicContact CB-CB 4.1Å; D534-V538 HydrophobicContact CB-CG1 3.84Å; D534-V538 VanDerWaalsContact OD1-CG1 3.29Å; D534-V538 WeakPolarHBondContact OD1-CG1 3.35Å; D534-Q539 HydrophobicContact CB-CG 3.81Å; D534-Q539 PolarHBondContact O-NE2 3.06Å; D534-R542 IonicContact OD1-CZ 2.68Å; D534-R542 IonicContact OD1-NE 3.27Å; D534-R542 IonicContact OD1-NH2 2.91Å; D534-R542 PolarHBondContact OD1-NH2 2.65Å; D534-R542 WeakPolarHBondContact OD2-CD 3.38Å; D534-R542 IonicContact OD2-CZ 2.65Å; D534-R542 IonicContact OD2-NE 3.57Å; D534-R542 PolarHBondContact OD2-NE 2.78Å; D534-R542 IonicContact OD2-NH2 3.6Å; D534-R542 PolarHBondContact OD2-NH2 3.29Å
535S95.1Very high95Very high61 Ų6171.5 Ų71.543%0.42736%0.361SS..PPolyproline II helixtrans-63.5159.5174.474.50000111.2P533 E537 V538 Q539P533-S535 PolarHBondContact O-N 2.8Å; S535-E537 PolarHBondContact O-N 2.98Å; S535-E537 VanDerWaalsContact O-N 3.11Å; S535-V538 WeakPolarHBondContact O-CA 3.47Å; S535-V538 PolarHBondContact O-N 2.92Å; S535-V538 WeakPolarHBondContact OG-CG2 3.42Å; S535-V538 PolarHBondContact OG-N 3.41Å; S535-Q539 WeakPolarHBondContact O-CG 3.43Å; S535-Q539 PolarHBondContact O-N 3.36Å
536I95.2Very high94.8Very high117 Ų11776 Ų7660%0.637%0.368SS*.Hα-helixtrans-53.7-34.7176.5-174.158.1000112.3Q539 Q540I536-Q539 PolarHBondContact O-N 2.71Å; I536-Q540 WeakPolarHBondContact O-CB 3.25Å; I536-Q540 VanDerWaalsContact O-CG 3.24Å; I536-Q540 WeakPolarHBondContact O-CG 3.35Å; I536-Q540 PolarHBondContact O-N 3.32Å
537E94.3Very high94.6Very high85 Ų8582.3 Ų82.340%0.39740%0.397SS..Hα-helixtrans-67.9-42.4175.8-156.7-156.6162.700112.3R46 S535 Q540 M541R46-E537 IonicContact CZ-OE1 2.74Å; R46-E537 IonicContact NE-OE1 3.41Å; R46-E537 IonicContact NH2-OE1 3.04Å; R46-E537 PolarHBondContact NH2-OE1 2.97Å; S535-E537 PolarHBondContact O-N 2.98Å; S535-E537 VanDerWaalsContact O-N 3.11Å; E537-Q540 PolarHBondContact O-N 2.96Å; E537-M541 HydrophobicContact CB-CE 4.43Å; E537-M541 HydrophobicContact CG-CE 4.02Å; E537-M541 WeakPolarHBondContact O-CG 3.43Å; E537-M541 PolarHBondContact O-N 3.47Å
538V95Very high94.4Very high14 Ų1484.5 Ų84.59%0.08541%0.407CS..Hα-helixtrans-66.3-40.6175.6174.90000110.9W49 I106 D534 S535 Q540 M541 R542W49-V538 HydrophobicContact CH2-CG2 4.12Å; I106-V538 HydrophobicContact CD1-CG1 3.86Å; D534-V538 HydrophobicContact CB-CB 4.1Å; D534-V538 HydrophobicContact CB-CG1 3.84Å; D534-V538 VanDerWaalsContact OD1-CG1 3.29Å; D534-V538 WeakPolarHBondContact OD1-CG1 3.35Å; S535-V538 WeakPolarHBondContact O-CA 3.47Å; S535-V538 PolarHBondContact O-N 2.92Å; S535-V538 WeakPolarHBondContact OG-CG2 3.42Å; S535-V538 PolarHBondContact OG-N 3.41Å; V538-Q540 VanDerWaalsContact C-N 3.34Å; V538-Q540 PolarHBondContact O-N 3.27Å; V538-M541 HydrophobicContact CG2-CE 4.02Å; V538-M541 PolarHBondContact O-N 3.48Å; V538-R542 HydrophobicContact CG1-CG 4.45Å; V538-R542 WeakPolarHBondContact O-CG 3.39Å; V538-R542 PolarHBondContact O-N 2.87Å
539Q95.7Very high94Very high102 Ų10286.5 Ų86.548%0.47741%0.41SS..Hα-helixtrans-60.9-42.6174.2-65.8179.435.600111.7D534 S535 I536 R542 A543D534-Q539 HydrophobicContact CB-CG 3.81Å; D534-Q539 PolarHBondContact O-NE2 3.06Å; S535-Q539 WeakPolarHBondContact O-CG 3.43Å; S535-Q539 PolarHBondContact O-N 3.36Å; I536-Q539 PolarHBondContact O-N 2.71Å; Q539-R542 PolarHBondContact O-N 2.76Å; Q539-A543 WeakPolarHBondContact O-CB 3.27Å; Q539-A543 PolarHBondContact O-N 3.22Å
540Q96.1Very high93.8Very high105 Ų10583.2 Ų83.249%0.49141%0.409SS..Hα-helixtrans-63.2-44.2172.9-74.5170.8-0.500112.1I536 E537 V538 R542 A543 Q544I536-Q540 WeakPolarHBondContact O-CB 3.25Å; I536-Q540 VanDerWaalsContact O-CG 3.24Å; I536-Q540 WeakPolarHBondContact O-CG 3.35Å; I536-Q540 PolarHBondContact O-N 3.32Å; E537-Q540 PolarHBondContact O-N 2.96Å; V538-Q540 VanDerWaalsContact C-N 3.34Å; V538-Q540 PolarHBondContact O-N 3.27Å; Q540-R542 PolarHBondContact O-N 2.94Å; Q540-A543 PolarHBondContact O-N 2.69Å; Q540-Q544 WeakPolarHBondContact O-CB 3.2Å; Q540-Q544 PolarHBondContact O-N 3.33Å
541M95.5Very high93.7Very high3 Ų388.4 Ų88.42%0.01543%0.428CS..Hα-helixtrans-60.3-43.7174.9-77.8-175-84.700112R46 E47 W49 I106 E537 V538 A543 Q544 A545R46-M541 HydrophobicContact CB-CG 4.4Å; R46-M541 HydrophobicContact CB-SD 3.39Å; R46-M541 WeakPolarHBondContact CB-SD 3.37Å; R46-M541 HydrophobicContact CG-SD 4.39Å; E47-M541 HydrophobicContact CG-SD 4.34Å; W49-M541 HydrophobicContact CH2-CE 3.67Å; W49-M541 HydrophobicContact CH2-SD 4.43Å; W49-M541 HydrophobicContact CZ3-CE 3.93Å; I106-M541 HydrophobicContact CD1-CB 4.36Å; I106-M541 HydrophobicContact CG2-CB 4.18Å; E537-M541 HydrophobicContact CB-CE 4.43Å; E537-M541 HydrophobicContact CG-CE 4.02Å; E537-M541 WeakPolarHBondContact O-CG 3.43Å; E537-M541 PolarHBondContact O-N 3.47Å; V538-M541 HydrophobicContact CG2-CE 4.02Å; V538-M541 PolarHBondContact O-N 3.48Å; M541-A543 VanDerWaalsContact C-N 3.34Å; M541-A543 PolarHBondContact O-N 2.9Å; M541-Q544 PolarHBondContact O-N 2.97Å; M541-A545 VanDerWaalsContact O-CB 3.24Å; M541-A545 WeakPolarHBondContact O-CB 3.17Å; M541-A545 PolarHBondContact O-N 2.9Å
542R95.1Very high93.5Very high64 Ų6487.1 Ų87.124%0.24242%0.423CS..Hα-helixtrans-66.2-34.3175.5-67.5-172-161.3-83.78.2112.3Q103 I106 D534 V538 Q539 Q540 R546Q103-R542 PolarHBondContact O-NH1 3.4Å; I106-R542 HydrophobicContact CD1-CG 3.88Å; I106-R542 HydrophobicContact CG1-CG 4.07Å; I106-R542 HydrophobicContact CG2-CG 4.07Å; D534-R542 IonicContact OD1-CZ 2.68Å; D534-R542 IonicContact OD1-NE 3.27Å; D534-R542 IonicContact OD1-NH2 2.91Å; D534-R542 PolarHBondContact OD1-NH2 2.65Å; D534-R542 WeakPolarHBondContact OD2-CD 3.38Å; D534-R542 IonicContact OD2-CZ 2.65Å; D534-R542 IonicContact OD2-NE 3.57Å; D534-R542 PolarHBondContact OD2-NE 2.78Å; D534-R542 IonicContact OD2-NH2 3.6Å; D534-R542 PolarHBondContact OD2-NH2 3.29Å; V538-R542 HydrophobicContact CG1-CG 4.45Å; V538-R542 WeakPolarHBondContact O-CG 3.39Å; V538-R542 PolarHBondContact O-N 2.87Å; Q539-R542 PolarHBondContact O-N 2.76Å; Q540-R542 PolarHBondContact O-N 2.94Å; R542-R546 VanDerWaalsContact O-CG 3.32Å; R542-R546 WeakPolarHBondContact O-CG 3.44Å; R542-R546 PolarHBondContact O-N 2.7Å; R542-R546 VanDerWaalsContact O-N 3.14Å; R542-R546 PolarHBondContact O-NH1 2.85Å
543A95.2Very high93.3Very high39 Ų3986.3 Ų86.332%0.32242%0.419SS..Hα-helixtrans-65.8-53.1173.700000111.3Q539 Q540 M541 A545 R546 E547Q539-A543 WeakPolarHBondContact O-CB 3.27Å; Q539-A543 PolarHBondContact O-N 3.22Å; Q540-A543 PolarHBondContact O-N 2.69Å; M541-A543 VanDerWaalsContact C-N 3.34Å; M541-A543 PolarHBondContact O-N 2.9Å; A543-A545 VanDerWaalsContact C-N 3.29Å; A543-A545 PolarHBondContact O-N 3.41Å; A543-R546 PolarHBondContact O-N 3.44Å; A543-R546 VanDerWaalsContact O-N 3.1Å; A543-E547 PolarHBondContact O-N 2.96Å
544Q94.5Very high93.2Very high104 Ų10486 Ų8649%0.48642%0.416SS..Hα-helixtrans-56.8-40.9177.1-171.8179.817.800112R46 Q540 M541 E547 E548R46-Q544 VanDerWaalsContact NH1-OE1 3.08Å; Q540-Q544 WeakPolarHBondContact O-CB 3.2Å; Q540-Q544 PolarHBondContact O-N 3.33Å; M541-Q544 PolarHBondContact O-N 2.97Å; Q544-E547 PolarHBondContact O-N 2.84Å; Q544-E548 VanDerWaalsContact O-CB 3.28Å; Q544-E548 WeakPolarHBondContact O-CB 3.03Å; Q544-E548 PolarHBondContact O-N 3.14Å
545A91.5Very high93Very high30 Ų3086.5 Ų86.525%0.24842%0.416CS..Hα-helixtrans-70.4-31.3177.900000113.6I106 M541 A543 R549I106-A545 HydrophobicContact CG2-CB 3.65Å; M541-A545 VanDerWaalsContact O-CB 3.24Å; M541-A545 WeakPolarHBondContact O-CB 3.17Å; M541-A545 PolarHBondContact O-N 2.9Å; A543-A545 VanDerWaalsContact C-N 3.29Å; A543-A545 PolarHBondContact O-N 3.41Å; A545-R549 WeakPolarHBondContact O-CB 3.36Å; A545-R549 PolarHBondContact O-N 3.41Å; A545-R549 VanDerWaalsContact O-N 3.1Å
546R92Very high92.7Very high159 Ų15988.1 Ų88.160%0.641%0.412SS*.Hα-helixtrans-69.6-46.2171.4-74.8-175.4-55.1-99.84.1111.4R542 A543 R549 A550R542-R546 VanDerWaalsContact O-CG 3.32Å; R542-R546 WeakPolarHBondContact O-CG 3.44Å; R542-R546 PolarHBondContact O-N 2.7Å; R542-R546 VanDerWaalsContact O-N 3.14Å; R542-R546 PolarHBondContact O-NH1 2.85Å; A543-R546 PolarHBondContact O-N 3.44Å; A543-R546 VanDerWaalsContact O-N 3.1Å; R546-R549 PolarHBondContact O-N 3.49Å; R546-A550 WeakPolarHBondContact O-CB 3.23Å; R546-A550 PolarHBondContact O-N 3.46Å
547E93.6Very high92.5Very high142 Ų14285.4 Ų85.466%0.66441%0.407SS*.Hα-helixtrans-60.6-51178.6-177180-175.100111.4A543 Q544 R549 A550 R551A543-E547 PolarHBondContact O-N 2.96Å; Q544-E547 PolarHBondContact O-N 2.84Å; E547-R549 VanDerWaalsContact C-N 3.33Å; E547-R549 PolarHBondContact O-N 2.97Å; E547-A550 PolarHBondContact O-N 3.32Å; E547-R551 WeakPolarHBondContact O-CB 3.41Å; E547-R551 PolarHBondContact O-N 3.47Å
548E90.6Very high92.5Very high52 Ų5286.8 Ų86.824%0.24341%0.409CS..Hα-helixtrans-67-32.1179.3178.862.3-17800112.3Q544 R551 R552Q544-E548 VanDerWaalsContact O-CB 3.28Å; Q544-E548 WeakPolarHBondContact O-CB 3.03Å; Q544-E548 PolarHBondContact O-N 3.14Å; E548-R551 IonicContact OE1-NH1 3.26Å; E548-R551 PolarHBondContact OE1-NH1 3.26Å; E548-R551 WeakPolarHBondContact OE2-CD 3.41Å; E548-R551 IonicContact OE2-CZ 3.22Å; E548-R551 IonicContact OE2-NH1 3.56Å; E548-R551 PolarHBondContact OE2-NH1 3.19Å; E548-R552 WeakPolarHBondContact O-CB 3.5Å; E548-R552 WeakPolarHBondContact O-CD 3.48Å; E548-R552 WeakPolarHBondContact O-CG 3.5Å; E548-R552 PolarHBondContact O-N 2.97Å; E548-R552 IonicContact OE1-CZ 2.9Å; E548-R552 IonicContact OE1-NE 3.7Å; E548-R552 PolarHBondContact OE1-NE 3.26Å; E548-R552 IonicContact OE1-NH2 3.47Å; E548-R552 PolarHBondContact OE1-NH2 3.04Å
549R88.1Confident92.3Very high130 Ų13089.5 Ų89.549%0.49142%0.423SS..Hα-helixtrans-63.4-48.7170.2176.9176.1-74.7168-3.2111.2A545 R546 E547 R552 E553A545-R549 WeakPolarHBondContact O-CB 3.36Å; A545-R549 PolarHBondContact O-N 3.41Å; A545-R549 VanDerWaalsContact O-N 3.1Å; R546-R549 PolarHBondContact O-N 3.49Å; E547-R549 VanDerWaalsContact C-N 3.33Å; E547-R549 PolarHBondContact O-N 2.97Å; R549-R552 PolarHBondContact O-N 3.22Å; R549-E553 WeakPolarHBondContact O-CB 3.48Å; R549-E553 PolarHBondContact O-N 2.74Å
550A91.2Very high92Very high51 Ų5187.4 Ų87.442%0.42142%0.422SS..Hα-helixtrans-63.2-44179.300000111.8R546 E547 R552 E553 V554R546-A550 WeakPolarHBondContact O-CB 3.23Å; R546-A550 PolarHBondContact O-N 3.46Å; E547-A550 PolarHBondContact O-N 3.32Å; A550-R552 PolarHBondContact O-N 2.94Å; A550-E553 WeakPolarHBondContact O-CB 3.25Å; A550-E553 PolarHBondContact O-N 3.27Å; A550-V554 WeakPolarHBondContact O-CG2 3.34Å; A550-V554 PolarHBondContact O-N 3.05Å
551R92.5Very high91.9Very high168 Ų16888.6 Ų88.663%0.63443%0.426SS*.Hα-helixtrans-56.4-47.5173.8176.6176.1168.1-113.2-1.8112.1E547 E548 E553 E555E547-R551 WeakPolarHBondContact O-CB 3.41Å; E547-R551 PolarHBondContact O-N 3.47Å; E548-R551 IonicContact OE1-NH1 3.26Å; E548-R551 PolarHBondContact OE1-NH1 3.26Å; E548-R551 WeakPolarHBondContact OE2-CD 3.41Å; E548-R551 IonicContact OE2-CZ 3.22Å; E548-R551 IonicContact OE2-NH1 3.56Å; E548-R551 PolarHBondContact OE2-NH1 3.19Å; R551-E553 VanDerWaalsContact C-N 3.25Å; R551-E553 PolarHBondContact O-N 3.12Å; R551-E555 PolarHBondContact O-N 3.29Å; R551-E555 VanDerWaalsContact O-N 3.08Å
552R89.4Confident91.7Very high98 Ų9890.5 Ų90.537%0.3744%0.442SS..Hα-helixtrans-65.9-26.6175.4-71.1171.2-170.1-175.35113.1E548 R549 A550 R556E548-R552 WeakPolarHBondContact O-CB 3.5Å; E548-R552 WeakPolarHBondContact O-CD 3.48Å; E548-R552 WeakPolarHBondContact O-CG 3.5Å; E548-R552 PolarHBondContact O-N 2.97Å; E548-R552 IonicContact OE1-CZ 2.9Å; E548-R552 IonicContact OE1-NE 3.7Å; E548-R552 PolarHBondContact OE1-NE 3.26Å; E548-R552 IonicContact OE1-NH2 3.47Å; E548-R552 PolarHBondContact OE1-NH2 3.04Å; R549-R552 PolarHBondContact O-N 3.22Å; A550-R552 PolarHBondContact O-N 2.94Å; R552-R556 VanDerWaalsContact O-CB 3.29Å; R552-R556 WeakPolarHBondContact O-CB 3.32Å; R552-R556 VanDerWaalsContact O-CG 3.29Å; R552-R556 WeakPolarHBondContact O-CG 3.43Å; R552-R556 PolarHBondContact O-N 3.45Å; R552-R556 PolarHBondContact O-NE 3.31Å; R552-R556 VanDerWaalsContact O-NE 3.14Å
553E89.2Confident91.5Very high110 Ų11096.8 Ų96.851%0.51447%0.466SS..Hα-helixtrans-79.2-42.1179.5-171157.5-164.400111.9R549 A550 R551 R556 A557R549-E553 WeakPolarHBondContact O-CB 3.48Å; R549-E553 PolarHBondContact O-N 2.74Å; A550-E553 WeakPolarHBondContact O-CB 3.25Å; A550-E553 PolarHBondContact O-N 3.27Å; R551-E553 VanDerWaalsContact C-N 3.25Å; R551-E553 PolarHBondContact O-N 3.12Å; E553-R556 PolarHBondContact O-N 3.1Å; E553-A557 WeakPolarHBondContact O-CB 3.19Å; E553-A557 PolarHBondContact O-N 3.23Å
554V93Very high91.3Very high106 Ų10697.7 Ų97.764%0.64247%0.473SS*.Hα-helixtrans-59-46169.3173.20000111A550 A557 R558A550-V554 WeakPolarHBondContact O-CG2 3.34Å; A550-V554 PolarHBondContact O-N 3.05Å; V554-A557 PolarHBondContact O-N 3.04Å; V554-R558 PolarHBondContact O-N 2.87Å
555E91.3Very high91.3Very high77 Ų7797.4 Ų97.436%0.3647%0.472SS..Hα-helixtrans-67.2-39.6178.5-179.457.4-166.400112.4R551 A557 R558 L559R551-E555 PolarHBondContact O-N 3.29Å; R551-E555 VanDerWaalsContact O-N 3.08Å; E555-A557 VanDerWaalsContact C-N 3.34Å; E555-A557 PolarHBondContact O-N 2.98Å; E555-R558 PolarHBondContact O-N 2.82Å; E555-R558 IonicContact OE1-CZ 2.66Å; E555-R558 IonicContact OE1-NE 3.18Å; E555-R558 PolarHBondContact OE1-NE 3.45Å; E555-R558 IonicContact OE1-NH2 2.72Å; E555-R558 PolarHBondContact OE1-NH2 2.76Å; E555-R558 IonicContact OE2-CZ 3.53Å; E555-R558 IonicContact OE2-NE 2.76Å; E555-R558 PolarHBondContact OE2-NE 3.49Å; E555-R558 IonicContact OE2-NH2 3.74Å; E555-L559 HydrophobicContact CG-CD1 4.16Å; E555-L559 WeakPolarHBondContact O-CG 3.43Å; E555-L559 PolarHBondContact O-N 2.83Å
556R88.5Confident91.3Very high94 Ų94102.5 Ų102.536%0.35549%0.489SS..Hα-helixtrans-61.6-40.5171.9-83.8-179.1-83.9103.6-0.9112.1R552 E553 L559 A560R552-R556 VanDerWaalsContact O-CB 3.29Å; R552-R556 WeakPolarHBondContact O-CB 3.32Å; R552-R556 VanDerWaalsContact O-CG 3.29Å; R552-R556 WeakPolarHBondContact O-CG 3.43Å; R552-R556 PolarHBondContact O-N 3.45Å; R552-R556 PolarHBondContact O-NE 3.31Å; R552-R556 VanDerWaalsContact O-NE 3.14Å; E553-R556 PolarHBondContact O-N 3.1Å; R556-L559 PolarHBondContact O-N 2.87Å; R556-A560 VanDerWaalsContact O-CB 3.25Å; R556-A560 WeakPolarHBondContact O-CB 3.32Å; R556-A560 PolarHBondContact O-N 3.45Å
557A91.3Very high91.3Very high60 Ų6097.6 Ų97.650%0.49648%0.482SS..Hα-helixtrans-65.9-40.6175.900000112.1E553 V554 E555 A560 K561E553-A557 WeakPolarHBondContact O-CB 3.19Å; E553-A557 PolarHBondContact O-N 3.23Å; V554-A557 PolarHBondContact O-N 3.04Å; E555-A557 VanDerWaalsContact C-N 3.34Å; E555-A557 PolarHBondContact O-N 2.98Å; A557-A560 PolarHBondContact O-N 3.14Å; A557-K561 WeakPolarHBondContact O-CB 3.49Å; A557-K561 PolarHBondContact O-N 3.24Å
558R93.9Very high91.3Very high115 Ų11597.4 Ų97.443%0.43448%0.481SS..Hα-helixtrans-59.8-47.8174.3-169.5-171.173.484.4-0.9111.7V554 E555 K561 A562V554-R558 PolarHBondContact O-N 2.87Å; E555-R558 PolarHBondContact O-N 2.82Å; E555-R558 IonicContact OE1-CZ 2.66Å; E555-R558 IonicContact OE1-NE 3.18Å; E555-R558 PolarHBondContact OE1-NE 3.45Å; E555-R558 IonicContact OE1-NH2 2.72Å; E555-R558 PolarHBondContact OE1-NH2 2.76Å; E555-R558 IonicContact OE2-CZ 3.53Å; E555-R558 IonicContact OE2-NE 2.76Å; E555-R558 PolarHBondContact OE2-NE 3.49Å; E555-R558 IonicContact OE2-NH2 3.74Å; R558-K561 PolarHBondContact O-N 2.94Å; R558-A562 PolarHBondContact O-N 2.94Å
559L91.4Very high91.4Very high71 Ų7197.8 Ų97.837%0.37249%0.493SS..Hα-helixtrans-69.1-36.5178.7-68.6171.4000112.5E555 R556 R563E555-L559 HydrophobicContact CG-CD1 4.16Å; E555-L559 WeakPolarHBondContact O-CG 3.43Å; E555-L559 PolarHBondContact O-N 2.83Å; R556-L559 PolarHBondContact O-N 2.87Å; L559-R563 VanDerWaalsContact O-CG 3.29Å; L559-R563 WeakPolarHBondContact O-CG 3.49Å; L559-R563 PolarHBondContact O-N 3.23Å
560A89Confident91.7Very high57 Ų5796.2 Ų96.247%0.47149%0.494SS..Hα-helixtrans-64.7-44.3174.400000111.6R556 A557 R563 A564R556-A560 VanDerWaalsContact O-CB 3.25Å; R556-A560 WeakPolarHBondContact O-CB 3.32Å; R556-A560 PolarHBondContact O-N 3.45Å; A557-A560 PolarHBondContact O-N 3.14Å; A560-R563 PolarHBondContact O-N 3.27Å; A560-A564 PolarHBondContact O-N 3.18Å
561K92.9Very high91.8Very high130 Ų130100.4 Ų100.457%0.56551%0.505SS*.Hα-helixtrans-59.2-50.4174.5175.9172.3168.71740111.5A557 R558 R563 A564 E565A557-K561 WeakPolarHBondContact O-CB 3.49Å; A557-K561 PolarHBondContact O-N 3.24Å; R558-K561 PolarHBondContact O-N 2.94Å; K561-R563 PolarHBondContact O-N 3.06Å; K561-A564 WeakPolarHBondContact O-CB 2.72Å; K561-A564 PolarHBondContact O-N 3.42Å; K561-E565 WeakPolarHBondContact CE-OE1 3.29Å; K561-E565 WeakPolarHBondContact CE-OE2 3.3Å; K561-E565 HydrophobicContact CG-CG 4.34Å; K561-E565 IonicContact NZ-OE1 2.69Å; K561-E565 PolarHBondContact NZ-OE1 3.01Å; K561-E565 WeakPolarHBondContact O-CG 3.47Å; K561-E565 PolarHBondContact O-N 3.47Å
562A92.2Very high91.9Very high43 Ų4394.9 Ų94.936%0.35550%0.495SS..Hα-helixtrans-62.5-27.9179.300000113.4R558 K566R558-A562 PolarHBondContact O-N 2.94Å; A562-K566 PolarHBondContact O-N 2.88Å
563R90.9Very high92.2Very high196 Ų19694.8 Ų94.874%0.7450%0.498SS*.Hα-helixtrans-73.3-40.7171.7-75.2172.8177.8-164.7-3112.4L559 A560 K561 K566 A567L559-R563 VanDerWaalsContact O-CG 3.29Å; L559-R563 WeakPolarHBondContact O-CG 3.49Å; L559-R563 PolarHBondContact O-N 3.23Å; A560-R563 PolarHBondContact O-N 3.27Å; K561-R563 PolarHBondContact O-N 3.06Å; R563-K566 PolarHBondContact O-N 3.06Å; R563-A567 PolarHBondContact O-N 3.34Å
564A91.8Very high92.5Very high58 Ų5893 Ų9348%0.47950%0.497SS..Hα-helixtrans-63.8-46.4175.300000111.5A560 K561 K566 A567 E568A560-A564 PolarHBondContact O-N 3.18Å; K561-A564 WeakPolarHBondContact O-CB 2.72Å; K561-A564 PolarHBondContact O-N 3.42Å; A564-K566 VanDerWaalsContact C-N 3.26Å; A564-K566 PolarHBondContact O-N 2.92Å; A564-A567 PolarHBondContact O-N 3.48Å; A564-E568 PolarHBondContact O-N 2.99Å
565E92.9Very high92.6Very high98 Ų9892.5 Ų92.546%0.45849%0.494SS..Hα-helixtrans-59.1-36175-69.4171.5141.600111.9K561 A569K561-E565 WeakPolarHBondContact CE-OE1 3.29Å; K561-E565 WeakPolarHBondContact CE-OE2 3.3Å; K561-E565 HydrophobicContact CG-CG 4.34Å; K561-E565 IonicContact NZ-OE1 2.69Å; K561-E565 PolarHBondContact NZ-OE1 3.01Å; K561-E565 WeakPolarHBondContact O-CG 3.47Å; K561-E565 PolarHBondContact O-N 3.47Å; E565-A569 WeakPolarHBondContact O-CB 3.36Å; E565-A569 PolarHBondContact O-N 2.69Å; E565-A569 VanDerWaalsContact O-N 3.13Å
566K92.9Very high92.8Very high138 Ų13894 Ų9460%0.650%0.504SS*.Hα-helixtrans-69.4-39.3172.7-173.2-178.7177.3-171.30112.7A562 R563 A564 A569 L570A562-K566 PolarHBondContact O-N 2.88Å; R563-K566 PolarHBondContact O-N 3.06Å; A564-K566 VanDerWaalsContact C-N 3.26Å; A564-K566 PolarHBondContact O-N 2.92Å; K566-A569 PolarHBondContact O-N 2.96Å; K566-L570 HydrophobicContact CG-CD1 4.27Å; K566-L570 WeakPolarHBondContact O-CG 3.47Å; K566-L570 PolarHBondContact O-N 2.91Å; K566-L570 VanDerWaalsContact O-N 3.08Å
567A91.7Very high93.1Very high56 Ų5694.1 Ų94.146%0.46351%0.509SS..Hα-helixtrans-66.1-47178.800000111.3R563 A564 A569 L570 E571R563-A567 PolarHBondContact O-N 3.34Å; A564-A567 PolarHBondContact O-N 3.48Å; A567-A569 VanDerWaalsContact C-N 3.31Å; A567-A569 PolarHBondContact O-N 2.89Å; A567-L570 PolarHBondContact O-N 3.5Å; A567-E571 PolarHBondContact O-N 3.29Å
568E92.9Very high93.4Very high137 Ų13793.6 Ų93.664%0.6450%0.504SS*.Hα-helixtrans-57.4-42.2174.5-175.1177.918000111.6A564 L570 E571 A572A564-E568 PolarHBondContact O-N 2.99Å; E568-L570 VanDerWaalsContact C-N 3.34Å; E568-L570 PolarHBondContact O-N 3.4Å; E568-E571 PolarHBondContact O-N 3.33Å; E568-A572 VanDerWaalsContact O-CB 3.3Å; E568-A572 WeakPolarHBondContact O-CB 3.4Å; E568-A572 PolarHBondContact O-N 3.41Å
569A93.4Very high93.5Very high60 Ų6095.7 Ų95.750%0.49651%0.512SS..Hα-helixtrans-66.5-31175.300000113.9E565 K566 A567 K573E565-A569 WeakPolarHBondContact O-CB 3.36Å; E565-A569 PolarHBondContact O-N 2.69Å; E565-A569 VanDerWaalsContact O-N 3.13Å; K566-A569 PolarHBondContact O-N 2.96Å; A567-A569 VanDerWaalsContact C-N 3.31Å; A567-A569 PolarHBondContact O-N 2.89Å; A569-K573 WeakPolarHBondContact O-CB 3.39Å; A569-K573 PolarHBondContact O-N 3.23Å
570L93Very high93.7Very high97 Ų9795.4 Ų95.451%0.50852%0.515SS..Hα-helixtrans-76.4-39.5175.5-73.5170.1000112K566 A567 E568 K573 S574K566-L570 HydrophobicContact CG-CD1 4.27Å; K566-L570 WeakPolarHBondContact O-CG 3.47Å; K566-L570 PolarHBondContact O-N 2.91Å; K566-L570 VanDerWaalsContact O-N 3.08Å; A567-L570 PolarHBondContact O-N 3.5Å; E568-L570 VanDerWaalsContact C-N 3.34Å; E568-L570 PolarHBondContact O-N 3.4Å; L570-K573 PolarHBondContact O-N 3.4Å; L570-S574 PolarHBondContact O-N 3.46Å
571E93.6Very high94Very high139 Ų13995.2 Ų95.265%0.6551%0.514SS*.Hα-helixtrans-61.9-49.1172.6-173.7179174.200110.6A567 E568 K573 S574 V575A567-E571 PolarHBondContact O-N 3.29Å; E568-E571 PolarHBondContact O-N 3.33Å; E571-K573 VanDerWaalsContact C-N 3.3Å; E571-K573 PolarHBondContact O-N 2.75Å; E571-S574 PolarHBondContact O-N 3.33Å; E571-S574 VanDerWaalsContact O-N 3.13Å; E571-V575 WeakPolarHBondContact O-CG2 3.33Å; E571-V575 PolarHBondContact O-N 3.11Å
572A95.3Very high94.1Very high52 Ų5295.2 Ų95.243%0.4352%0.516SS..Hα-helixtrans-60-38.1175.800000112.7E568 L576E568-A572 VanDerWaalsContact O-CB 3.3Å; E568-A572 WeakPolarHBondContact O-CB 3.4Å; E568-A572 PolarHBondContact O-N 3.41Å; A572-L576 WeakPolarHBondContact O-CG 3.32Å; A572-L576 PolarHBondContact O-N 3.25Å
573K95.6Very high94.2Very high97 Ų9797.8 Ų97.842%0.42252%0.523SS..Hα-helixtrans-61.7-49.1172.6-179.1-178176.9-74.70111.2A569 L570 E571 V575 L576 E577A569-K573 WeakPolarHBondContact O-CB 3.39Å; A569-K573 PolarHBondContact O-N 3.23Å; L570-K573 PolarHBondContact O-N 3.4Å; E571-K573 VanDerWaalsContact C-N 3.3Å; E571-K573 PolarHBondContact O-N 2.75Å; K573-V575 VanDerWaalsContact C-N 3.34Å; K573-V575 PolarHBondContact O-N 3.14Å; K573-L576 PolarHBondContact O-N 2.94Å; K573-E577 WeakPolarHBondContact CE-OE1 3.31Å; K573-E577 HydrophobicContact CG-CG 4.48Å; K573-E577 IonicContact NZ-OE1 2.61Å; K573-E577 PolarHBondContact NZ-OE1 2.7Å; K573-E577 IonicContact NZ-OE2 2.69Å; K573-E577 PolarHBondContact NZ-OE2 3.2Å; K573-E577 WeakPolarHBondContact O-CG 3.41Å; K573-E577 PolarHBondContact O-N 2.89Å
574S95.1Very high94.3Very high73 Ų7394.1 Ų94.151%0.5151%0.514SS..Hα-helixtrans-61.2-40.7179.5-177.50000112.5L570 E571 E577 A578L570-S574 PolarHBondContact O-N 3.46Å; E571-S574 PolarHBondContact O-N 3.33Å; E571-S574 VanDerWaalsContact O-N 3.13Å; S574-E577 PolarHBondContact O-N 2.91Å; S574-A578 WeakPolarHBondContact O-CB 3.01Å; S574-A578 PolarHBondContact O-N 2.9Å
575V96.1Very high94.4Very high95 Ų9598.3 Ų98.358%0.57652%0.524SS*.Hα-helixtrans-64.5-38.7175.21720000111.9E571 K573 R579E571-V575 WeakPolarHBondContact O-CG2 3.33Å; E571-V575 PolarHBondContact O-N 3.11Å; K573-V575 VanDerWaalsContact C-N 3.34Å; K573-V575 PolarHBondContact O-N 3.14Å; V575-R579 WeakPolarHBondContact O-CB 3.26Å; V575-R579 PolarHBondContact O-N 3.46Å
576L94.7Very high94.5Very high107 Ų10796.1 Ų96.156%0.5652%0.523SS*.Hα-helixtrans-68-43174.6-73.7171.1000112A572 K573 R579 C580A572-L576 WeakPolarHBondContact O-CG 3.32Å; A572-L576 PolarHBondContact O-N 3.25Å; K573-L576 PolarHBondContact O-N 2.94Å; L576-R579 PolarHBondContact O-N 2.9Å; L576-C580 PolarHBondContact O-N 3.47Å; L576-C580 PolarHBondContact O-SG 3.47Å; L576-C580 VanDerWaalsContact O-SG 3.33Å
577E95.3Very high94.5Very high98 Ų9894.1 Ų94.146%0.45852%0.518SS..Hα-helixtrans-64-42.6177.9-72.4175.3138.200111.8K573 S574 R579 C580 A581K573-E577 WeakPolarHBondContact CE-OE1 3.31Å; K573-E577 HydrophobicContact CG-CG 4.48Å; K573-E577 IonicContact NZ-OE1 2.61Å; K573-E577 PolarHBondContact NZ-OE1 2.7Å; K573-E577 IonicContact NZ-OE2 2.69Å; K573-E577 PolarHBondContact NZ-OE2 3.2Å; K573-E577 WeakPolarHBondContact O-CG 3.41Å; K573-E577 PolarHBondContact O-N 2.89Å; S574-E577 PolarHBondContact O-N 2.91Å; E577-R579 VanDerWaalsContact C-N 3.31Å; E577-R579 PolarHBondContact O-N 2.74Å; E577-C580 PolarHBondContact O-N 3.32Å; E577-A581 PolarHBondContact O-N 3.13Å
578A96.4Very high94.4Very high48 Ų4895.5 Ų95.540%0.39752%0.517SS..Hα-helixtrans-61.5-37.6172.500000112.5S574 Q582S574-A578 WeakPolarHBondContact O-CB 3.01Å; S574-A578 PolarHBondContact O-N 2.9Å; A578-Q582 WeakPolarHBondContact O-CG 3.46Å; A578-Q582 PolarHBondContact O-N 2.87Å; A578-Q582 VanDerWaalsContact O-N 3.11Å
579R96.9Very high94.3Very high160 Ų16094.7 Ų94.760%0.60451%0.513SS*.Hα-helixtrans-70.5-36.6175.9-174178.3178.8-170.6-0.9112.6V575 L576 E577 Q582 L583V575-R579 WeakPolarHBondContact O-CB 3.26Å; V575-R579 PolarHBondContact O-N 3.46Å; L576-R579 PolarHBondContact O-N 2.9Å; E577-R579 VanDerWaalsContact C-N 3.31Å; E577-R579 PolarHBondContact O-N 2.74Å; R579-Q582 PolarHBondContact O-N 3.26Å; R579-L583 HydrophobicContact CG-CD1 4.32Å; R579-L583 WeakPolarHBondContact O-CG 3.36Å; R579-L583 PolarHBondContact O-N 3.31Å; R579-L583 VanDerWaalsContact O-N 3.09Å
580C94.6Very high94.1Very high65 Ų6596.2 Ų96.244%0.43951%0.51SS..Hα-helixtrans-62.5-48.2173.3-69.50000110.7L576 E577 Q582 L583 E584L576-C580 PolarHBondContact O-N 3.47Å; L576-C580 PolarHBondContact O-SG 3.47Å; L576-C580 VanDerWaalsContact O-SG 3.33Å; E577-C580 PolarHBondContact O-N 3.32Å; C580-Q582 VanDerWaalsContact C-N 3.32Å; C580-Q582 PolarHBondContact O-N 3.44Å; C580-L583 PolarHBondContact O-N 2.99Å; C580-E584 WeakPolarHBondContact O-CG 3.28Å; C580-E584 PolarHBondContact O-N 3Å
581A95.8Very high93.8Very high53 Ų5397.5 Ų97.544%0.43851%0.513SS..Hα-helixtrans-57.5-41.6176.800000112.8E577 L583 E584 E585E577-A581 PolarHBondContact O-N 3.13Å; A581-L583 VanDerWaalsContact C-N 3.35Å; A581-L583 PolarHBondContact O-N 2.94Å; A581-E584 PolarHBondContact O-N 3.16Å; A581-E585 WeakPolarHBondContact O-CB 3.19Å; A581-E585 PolarHBondContact O-N 3.35Å
582Q94.9Very high93.4Very high130 Ų13098.2 Ų98.261%0.60751%0.514SS*.Hα-helixtrans-63.3-37.2174.3-73.4170.17.800113.1A578 R579 C580 A586A578-Q582 WeakPolarHBondContact O-CG 3.46Å; A578-Q582 PolarHBondContact O-N 2.87Å; A578-Q582 VanDerWaalsContact O-N 3.11Å; R579-Q582 PolarHBondContact O-N 3.26Å; C580-Q582 VanDerWaalsContact C-N 3.32Å; C580-Q582 PolarHBondContact O-N 3.44Å; Q582-A586 VanDerWaalsContact O-CB 3.24Å; Q582-A586 WeakPolarHBondContact O-CB 3.29Å; Q582-A586 PolarHBondContact O-N 2.99Å
583L94.6Very high92.8Very high97 Ų9799.5 Ų99.551%0.50852%0.519SS..Hα-helixtrans-73.4-36.4177.1-71.3169.6000111.9R579 C580 A581 A586 L587R579-L583 HydrophobicContact CG-CD1 4.32Å; R579-L583 WeakPolarHBondContact O-CG 3.36Å; R579-L583 PolarHBondContact O-N 3.31Å; R579-L583 VanDerWaalsContact O-N 3.09Å; C580-L583 PolarHBondContact O-N 2.99Å; A581-L583 VanDerWaalsContact C-N 3.35Å; A581-L583 PolarHBondContact O-N 2.94Å; L583-A586 PolarHBondContact O-N 2.92Å; L583-L587 WeakPolarHBondContact O-CB 3.26Å; L583-L587 VanDerWaalsContact O-CG 3.25Å; L583-L587 WeakPolarHBondContact O-CG 3.28Å; L583-L587 PolarHBondContact O-N 3.23Å
584E93.6Very high91.5Very high119 Ų119101 Ų10156%0.55653%0.527SS*.Hα-helixtrans-65.2-45.8173.3-72.3168.1-166.600111.3C580 A581 A586 L587 I588C580-E584 WeakPolarHBondContact O-CG 3.28Å; C580-E584 PolarHBondContact O-N 3Å; A581-E584 PolarHBondContact O-N 3.16Å; E584-A586 PolarHBondContact O-N 3.31Å; E584-L587 PolarHBondContact O-N 2.96Å; E584-I588 WeakPolarHBondContact O-CB 3.41Å; E584-I588 VanDerWaalsContact O-CG1 3.27Å; E584-I588 WeakPolarHBondContact O-CG1 3.46Å; E584-I588 PolarHBondContact O-N 3.21Å
585E94Very high89.7Confident145 Ų145101.9 Ų101.968%0.67853%0.526SS*.Hα-helixtrans-61-44.3173.5-175.5175.1-159.300111.6A581 L587 I588 H589A581-E585 WeakPolarHBondContact O-CB 3.19Å; A581-E585 PolarHBondContact O-N 3.35Å; E585-L587 VanDerWaalsContact C-N 3.35Å; E585-L587 PolarHBondContact O-N 3.24Å; E585-I588 PolarHBondContact O-N 3.18Å; E585-H589 WeakPolarHBondContact O-CB 3.37Å; E585-H589 PolarHBondContact O-N 3.41Å
586A93.9Very high87.6Confident53 Ų53101.4 Ų101.444%0.43853%0.525SS..Hα-helixtrans-62.9-38.2176.400000112.6Q582 L583 E584 H589 Q590Q582-A586 VanDerWaalsContact O-CB 3.24Å; Q582-A586 WeakPolarHBondContact O-CB 3.29Å; Q582-A586 PolarHBondContact O-N 2.99Å; L583-A586 PolarHBondContact O-N 2.92Å; E584-A586 PolarHBondContact O-N 3.31Å; A586-H589 PolarHBondContact O-N 3.05Å; A586-Q590 VanDerWaalsContact O-CB 3.3Å; A586-Q590 WeakPolarHBondContact O-CB 3.35Å; A586-Q590 PolarHBondContact O-N 3.49Å
587L92.4Very high85.5Confident95 Ų95105.2 Ų105.250%0.49753%0.533SS..Hα-helixtrans-67.6-42.9174.3-77.1167.8000111.8L583 E584 E585 H589 Q590 Q591L583-L587 WeakPolarHBondContact O-CB 3.26Å; L583-L587 VanDerWaalsContact O-CG 3.25Å; L583-L587 WeakPolarHBondContact O-CG 3.28Å; L583-L587 PolarHBondContact O-N 3.23Å; E584-L587 PolarHBondContact O-N 2.96Å; E585-L587 VanDerWaalsContact C-N 3.35Å; E585-L587 PolarHBondContact O-N 3.24Å; L587-H589 VanDerWaalsContact C-N 3.32Å; L587-H589 PolarHBondContact O-N 3.37Å; L587-Q590 PolarHBondContact O-N 2.87Å; L587-Q591 WeakPolarHBondContact O-CB 3.33Å; L587-Q591 VanDerWaalsContact O-CG 3.31Å; L587-Q591 WeakPolarHBondContact O-CG 3.49Å; L587-Q591 PolarHBondContact O-N 3.33Å
588I91.4Very high83.1Confident86 Ų86104.2 Ų104.244%0.44153%0.534SS..Hα-helixtrans-62.6-40.9175-70.1164.3000110.6E584 E585 K592E584-I588 WeakPolarHBondContact O-CB 3.41Å; E584-I588 VanDerWaalsContact O-CG1 3.27Å; E584-I588 WeakPolarHBondContact O-CG1 3.46Å; E584-I588 PolarHBondContact O-N 3.21Å; E585-I588 PolarHBondContact O-N 3.18Å; I588-K592 HydrophobicContact CG2-CD 4.27Å; I588-K592 VanDerWaalsContact O-CG 3.3Å; I588-K592 WeakPolarHBondContact O-CG 3.44Å; I588-K592 PolarHBondContact O-N 2.96Å; I588-K592 VanDerWaalsContact O-N 3.11Å
589H90Very high80.9Confident119 Ų119105.2 Ų105.255%0.55154%0.538SS*.Hα-helixtrans-64.8-46174-174.3-77.9000111.4E585 A586 L587 Q591 K592 C593E585-H589 WeakPolarHBondContact O-CB 3.37Å; E585-H589 PolarHBondContact O-N 3.41Å; A586-H589 PolarHBondContact O-N 3.05Å; L587-H589 VanDerWaalsContact C-N 3.32Å; L587-H589 PolarHBondContact O-N 3.37Å; H589-Q591 PolarHBondContact O-N 3.43Å; H589-K592 PolarHBondContact O-N 2.88Å; H589-C593 PolarHBondContact CE1-SG 3.28Å; H589-C593 PolarHBondContact O-N 2.84Å; H589-C593 PolarHBondContact O-SG 3.15Å; H589-C593 VanDerWaalsContact O-SG 3.41Å
590Q89.4Confident78.7Confident93 Ų93103.2 Ų103.244%0.43554%0.54SS..Hα-helixtrans-61-42.7177.2-178.4175.7-8.500111.9A586 L587 K592 C593 Q594A586-Q590 VanDerWaalsContact O-CB 3.3Å; A586-Q590 WeakPolarHBondContact O-CB 3.35Å; A586-Q590 PolarHBondContact O-N 3.49Å; L587-Q590 PolarHBondContact O-N 2.87Å; Q590-K592 PolarHBondContact O-N 3.48Å; Q590-C593 CarbonylContact O-C 3.59Å; Q590-C593 PolarHBondContact O-N 3.37Å; Q590-Q594 HydrophobicContact CG-CG 4.17Å; Q590-Q594 VanDerWaalsContact NE2-NE2 3.12Å; Q590-Q594 WeakPolarHBondContact O-CB 3.31Å; Q590-Q594 WeakPolarHBondContact O-CG 3.35Å; Q590-Q594 PolarHBondContact O-N 2.96Å
591Q87.1Confident76.7Confident124 Ų124104.7 Ų104.758%0.57954%0.543SS*.Hα-helixtrans-61.3-42.7175.6-74.5174.1-0.100111.7L587 H589 C593 Q594 N595L587-Q591 WeakPolarHBondContact O-CB 3.33Å; L587-Q591 VanDerWaalsContact O-CG 3.31Å; L587-Q591 WeakPolarHBondContact O-CG 3.49Å; L587-Q591 PolarHBondContact O-N 3.33Å; H589-Q591 PolarHBondContact O-N 3.43Å; Q591-C593 VanDerWaalsContact C-N 3.33Å; Q591-C593 PolarHBondContact O-N 2.85Å; Q591-Q594 PolarHBondContact O-N 2.87Å; Q591-N595 PolarHBondContact O-N 2.98Å
592K84.5Confident74.5Confident153 Ų153107.2 Ų107.267%0.66555%0.546SS*.Hα-helixtrans-61.9-37.7173.6-71.4167.5-178.2174.60112.4I588 H589 Q590I588-K592 HydrophobicContact CG2-CD 4.27Å; I588-K592 VanDerWaalsContact O-CG 3.3Å; I588-K592 WeakPolarHBondContact O-CG 3.44Å; I588-K592 PolarHBondContact O-N 2.96Å; I588-K592 VanDerWaalsContact O-N 3.11Å; H589-K592 PolarHBondContact O-N 2.88Å; Q590-K592 PolarHBondContact O-N 3.48Å
593C83.3Confident72.4Confident79 Ų79105.7 Ų105.753%0.53454%0.542SS..Hα-helixtrans-76.2-31.2176.2-67.80000114H589 Q590 Q591 P596H589-C593 PolarHBondContact CE1-SG 3.28Å; H589-C593 PolarHBondContact O-N 2.84Å; H589-C593 PolarHBondContact O-SG 3.15Å; H589-C593 VanDerWaalsContact O-SG 3.41Å; Q590-C593 CarbonylContact O-C 3.59Å; Q590-C593 PolarHBondContact O-N 3.37Å; Q591-C593 VanDerWaalsContact C-N 3.33Å; Q591-C593 PolarHBondContact O-N 2.85Å; C593-P596 WeakPolarHBondContact O-CD 3.22Å
594Q68.4Low70.4Confident128 Ų128109.7 Ų109.760%0.59855%0.55SS*.Hα-helixtrans-80.3-19.6177.9-74.3-175.3-25.100112.9Q590 Q591 P596Q590-Q594 HydrophobicContact CG-CG 4.17Å; Q590-Q594 VanDerWaalsContact NE2-NE2 3.12Å; Q590-Q594 WeakPolarHBondContact O-CB 3.31Å; Q590-Q594 WeakPolarHBondContact O-CG 3.35Å; Q590-Q594 PolarHBondContact O-N 2.96Å; Q591-Q594 PolarHBondContact O-N 2.87Å; Q594-P596 VanDerWaalsContact O-CD 3.26Å; Q594-P596 WeakPolarHBondContact O-CD 3.23Å
595N56.7Low68.2Low93 Ų93108.1 Ų108.150%0.49755%0.545SS..  trans-110.869.9170.1-77-12.9000113.5Q591 Y597 T598Q591-N595 PolarHBondContact O-N 2.98Å; N595-Y597 PolarHBondContact O-N 2.73Å; N595-T598 HydrophobicContact CB-CG2 3.86Å; N595-T598 WeakPolarHBondContact CB-OG1 3.32Å; N595-T598 VanDerWaalsContact CG-CG2 3.44Å
596P52.4Low66Low85 Ų85107.9 Ų107.955%0.55254%0.542SS*.THydrogen-bonded Turntrans-69-7.5166-823.1000113.3C593 Q594C593-P596 WeakPolarHBondContact O-CD 3.22Å; Q594-P596 VanDerWaalsContact O-CD 3.26Å; Q594-P596 WeakPolarHBondContact O-CD 3.23Å
597Y49.4Very low63.9Low186 Ų186110.7 Ų110.773%0.72955%0.55SS*.THydrogen-bonded Turntrans-143.956.8-167.5-62.7-76000113.7N595N595-Y597 PolarHBondContact O-N 2.73Å
598T46.3Very low61.9Low78 Ų78110 Ų11048%0.47955%0.549SS..SBendtrans-131.4147.8174.557.20000113.9N595 D600N595-T598 HydrophobicContact CB-CG2 3.86Å; N595-T598 WeakPolarHBondContact CB-OG1 3.32Å; N595-T598 VanDerWaalsContact CG-CG2 3.44Å; T598-D600 PolarHBondContact O-N 3.35Å
599S49.9Very low59.7Low69 Ų69114.3 Ų114.348%0.48356%0.562SS.*SBendtrans61-86.6-178-175.10000115.1N601 H602 N603S599-N601 PolarHBondContact O-N 3.3Å; S599-H602 WeakPolarHBondContact O-CA 3.3Å; S599-H602 VanDerWaalsContact O-CB 3.27Å; S599-H602 WeakPolarHBondContact O-CB 3.32Å; S599-H602 PolarHBondContact O-N 2.81Å; S599-N603 PolarHBondContact O-N 2.69Å
600D50.5Low57.7Low118 Ų118112.8 Ų112.863%0.63157%0.57SS**Hα-helixtrans-75-33.2-150.9-61.1-1.8000113.2T598 H602 R604T598-D600 PolarHBondContact O-N 3.35Å; D600-H602 VanDerWaalsContact C-N 3.34Å; D600-R604 PolarHBondContact O-N 3.49Å
601N51.8Low55.7Low95 Ų95113.7 Ų113.751%0.50858%0.581SS.*Hα-helixtrans-75.3-21.8168.7-82.1-24.9000112.8S599 L605S599-N601 PolarHBondContact O-N 3.3Å; N601-L605 WeakPolarHBondContact O-CB 3.35Å; N601-L605 WeakPolarHBondContact O-CD1 3.22Å; N601-L605 PolarHBondContact O-N 2.7Å
602H49.9Very low53.3Low106 Ų106113.4 Ų113.449%0.49158%0.584SS.*Hα-helixtrans-73.8-42.3175.8-118-63.9000111.3S599 D600 L605 F606S599-H602 WeakPolarHBondContact O-CA 3.3Å; S599-H602 VanDerWaalsContact O-CB 3.27Å; S599-H602 WeakPolarHBondContact O-CB 3.32Å; S599-H602 PolarHBondContact O-N 2.81Å; D600-H602 VanDerWaalsContact C-N 3.34Å; H602-L605 PolarHBondContact O-N 3.44Å; H602-F606 AromaticContact ND1-CD2 3.97Å; H602-F606 AromaticContact ND1-CE2 3.7Å; H602-F606 WeakPolarHBondContact O-CD2 3.34Å; H602-F606 PolarHBondContact O-N 2.82Å
603N52.1Low50.9Low98 Ų98111.7 Ų111.752%0.52459%0.591SS.*Hα-helixtrans-62.2-46.4171.3-68.7-13.3000110.6S599 L605 F606 D607S599-N603 PolarHBondContact O-N 2.69Å; N603-L605 VanDerWaalsContact C-N 3.33Å; N603-L605 PolarHBondContact O-N 3.17Å; N603-F606 PolarHBondContact O-N 2.76Å; N603-F606 VanDerWaalsContact O-N 3.15Å; N603-D607 WeakPolarHBondContact O-CB 3.46Å; N603-D607 VanDerWaalsContact O-CG 3.29Å; N603-D607 PolarHBondContact O-N 3.44Å
604R50.8Low48.8Very low181 Ų181113.5 Ų113.568%0.68360%0.602SS**Hα-helixtrans-63.8-30.1175.3-77.1-175.8168.4-173.6-2.2114.9D600 T608D600-R604 PolarHBondContact O-N 3.49Å; R604-T608 WeakPolarHBondContact O-CB 3.31Å; R604-T608 WeakPolarHBondContact O-CG2 3.31Å; R604-T608 PolarHBondContact O-N 3.28Å; R604-T608 VanDerWaalsContact O-N 3.13Å; R604-T608 PolarHBondContact O-OG1 2.92Å
605L48.8Very low47.3Very low87 Ų87113.4 Ų113.446%0.45562%0.615SS.*Hα-helixtrans-72.9-42.7170.4-99.883.7000111.5N601 H602 N603 D607 T608 Y609N601-L605 WeakPolarHBondContact O-CB 3.35Å; N601-L605 WeakPolarHBondContact O-CD1 3.22Å; N601-L605 PolarHBondContact O-N 2.7Å; H602-L605 PolarHBondContact O-N 3.44Å; N603-L605 VanDerWaalsContact C-N 3.33Å; N603-L605 PolarHBondContact O-N 3.17Å; L605-D607 VanDerWaalsContact C-N 3.31Å; L605-D607 PolarHBondContact O-N 2.68Å; L605-T608 WeakPolarHBondContact CA-OG1 3.44Å; L605-T608 PolarHBondContact O-N 2.87Å; L605-T608 PolarHBondContact O-OG1 3.45Å; L605-Y609 HydrophobicContact CB-CD2 4.41Å; L605-Y609 HydrophobicContact CD2-CE2 4.07Å; L605-Y609 HydrophobicContact CG-CD2 4.24Å; L605-Y609 HydrophobicContact CG-CE2 4.02Å; L605-Y609 WeakPolarHBondContact O-CB 3.41Å; L605-Y609 VanDerWaalsContact O-CD2 3.24Å; L605-Y609 WeakPolarHBondContact O-CD2 3.44Å; L605-Y609 PolarHBondContact O-N 3.06Å
606F48.1Very low46.2Very low139 Ų139114.8 Ų114.861%0.6163%0.627SS**Hα-helixtrans-61.5-40.4174.2-85.9-73.5000111.6H602 N603 T608 A610H602-F606 AromaticContact ND1-CD2 3.97Å; H602-F606 AromaticContact ND1-CE2 3.7Å; H602-F606 WeakPolarHBondContact O-CD2 3.34Å; H602-F606 PolarHBondContact O-N 2.82Å; N603-F606 PolarHBondContact O-N 2.76Å; N603-F606 VanDerWaalsContact O-N 3.15Å; F606-T608 VanDerWaalsContact C-N 3.33Å; F606-T608 PolarHBondContact O-N 3.45Å; F606-A610 WeakPolarHBondContact O-CB 3.18Å; F606-A610 PolarHBondContact O-N 3.06Å
607D49.8Very low45.6Very low112 Ų112119.7 Ų119.760%0.59964%0.642SS**Hα-helixtrans-67.5-25.3175.8-67.9-28.7000114.1N603 L605 V611N603-D607 WeakPolarHBondContact O-CB 3.46Å; N603-D607 VanDerWaalsContact O-CG 3.29Å; N603-D607 PolarHBondContact O-N 3.44Å; L605-D607 VanDerWaalsContact C-N 3.31Å; L605-D607 PolarHBondContact O-N 2.68Å; D607-V611 VanDerWaalsContact O-CG2 3.3Å; D607-V611 WeakPolarHBondContact O-CG2 2.99Å
608T50.5Low44.9Very low80 Ų80114.8 Ų114.849%0.49164%0.64SS.*Hα-helixtrans-94.6-25177.646.20000113.9R604 L605 F606 N612R604-T608 WeakPolarHBondContact O-CB 3.31Å; R604-T608 WeakPolarHBondContact O-CG2 3.31Å; R604-T608 PolarHBondContact O-N 3.28Å; R604-T608 VanDerWaalsContact O-N 3.13Å; R604-T608 PolarHBondContact O-OG1 2.92Å; L605-T608 WeakPolarHBondContact CA-OG1 3.44Å; L605-T608 PolarHBondContact O-N 2.87Å; L605-T608 PolarHBondContact O-OG1 3.45Å; F606-T608 VanDerWaalsContact C-N 3.33Å; F606-T608 PolarHBondContact O-N 3.45Å; T608-N612 PolarHBondContact O-ND2 3.38Å
609Y44.4Very low44.4Very low178 Ų178115.8 Ų115.870%0.69865%0.651SS**Hα-helixtrans-92.4-22.2176.9-75.8-106.5000113L605 V611L605-Y609 HydrophobicContact CB-CD2 4.41Å; L605-Y609 HydrophobicContact CD2-CE2 4.07Å; L605-Y609 HydrophobicContact CG-CD2 4.24Å; L605-Y609 HydrophobicContact CG-CE2 4.02Å; L605-Y609 WeakPolarHBondContact O-CB 3.41Å; L605-Y609 VanDerWaalsContact O-CD2 3.24Å; L605-Y609 WeakPolarHBondContact O-CD2 3.44Å; L605-Y609 PolarHBondContact O-N 3.06Å; Y609-V611 PolarHBondContact O-N 3.08Å
610A47Very low43.6Very low87 Ų87121.1 Ų121.172%0.71967%0.668SS**THydrogen-bonded Turntrans-70.5-11.4171.500000114.2F606F606-A610 WeakPolarHBondContact O-CB 3.18Å; F606-A610 PolarHBondContact O-N 3.06Å
611V47.9Very low42.7Very low112 Ų112120.6 Ų120.668%0.67967%0.672SS**THydrogen-bonded Turntrans-97.3-4.9-175.8179.50000112.6D607 Y609D607-V611 VanDerWaalsContact O-CG2 3.3Å; D607-V611 WeakPolarHBondContact O-CG2 2.99Å; Y609-V611 PolarHBondContact O-N 3.08Å
612N37.6Very low41.9Very low118 Ų118123.5 Ų123.563%0.63169%0.686SS**  trans-133.363-165.6-71.3-71.4000115.5T608T608-N612 PolarHBondContact O-ND2 3.38Å
613S33.6Very low41Very low117 Ų117123 Ų12382%0.81870%0.695SS**SBendtrans-166.2147.8154.1-89.80000112.1
614P40.1Very low40.2Very low117 Ų117125.2 Ų125.276%0.7671%0.707SS**  -113.6133.4-112.936.3-33.4000116.4T616P614-T616 PolarHBondContact O-N 3.48Å
615S36.7Very low39.6Very low125 Ų125121.5 Ų121.587%0.87471%0.706SS**  trans-87.997.6162.559.20000111Q617S615-Q617 PolarHBondContact O-N 3.13Å
616T33.6Very low38.9Very low122 Ų122127.4 Ų127.475%0.74872%0.724SS**  trans-42.7121.3175.3-53.40000115.5P614P614-T616 PolarHBondContact O-N 3.48Å
617Q38.4Very low38.1Very low188 Ų188127.1 Ų127.188%0.87973%0.729SS**  trans-170.9150.2135.4-110157.682.600116S615S615-Q617 PolarHBondContact O-N 3.13Å
618A34.9Very low37.4Very low83 Ų83127.7 Ų127.769%0.68674%0.74SS**  trans5991.1152.500000121.3
619S35.5Very low36.5Very low100 Ų100133 Ų13370%0.69976%0.756SS**  69.8118.5117.7-57.10000122.6
620Q33.8Very low36.2Very low181 Ų181131 Ų13185%0.84676%0.762SS**  70.6142129.8-66.3175.7-6.500119.1
621C31.4Very low35.7Very low107 Ų107130.2 Ų130.272%0.72376%0.756SS**  cis-169.5173.8-16.3-123.30000110.5
622I35Very low34.9Very low155 Ų155134.4 Ų134.480%0.79577%0.765SS**  trans72.1111.4157.3-63.2151.5000118.2
623S31.7Very low34.7Very low96 Ų96133.7 Ų133.767%0.67177%0.769SS**  trans-49151.7161.951.70000117.6
624N34.5Very low34.7Very low145 Ų145133.8 Ų133.878%0.77577%0.767SS**  -163.3149.7120.3-110.3-20.9000113.5
625P37.9Very low34.2Very low103 Ų103135.5 Ų135.567%0.66977%0.767SS**  trans-113.8118.4-17736.6-24.6000114.2
626Y34.2Very low34.2Very low211 Ų211137.6 Ų137.683%0.82776%0.76SS**  trans-142.3108.1169-83.4-74.8000115.1
627N31.8Very low34Very low133 Ų133141.1 Ų141.171%0.71177%0.765SS**  38.1115.5125.2-173.230.8000119.9
628C34.8Very low33.7Very low124 Ų124139.9 Ų139.984%0.83876%0.76SS**  trans-145.7108.4142.1-159.30000112
629K32.6Very low33.6Very low191 Ų191141.9 Ų141.983%0.8376%0.759SS**  trans-102115.9169.7-73.5178.4176.7176.70110.4
630V37.6Very low33.4Very low136 Ų136144.3 Ų144.382%0.82476%0.759SS**  trans-156.5136.6161.11780000107.5
631A36.4Very low33.5Very low71 Ų71145 Ų14559%0.58776%0.759SS**  cis-166.3156.2-22.200000110.5
632F31.8Very low33.4Very low199 Ų199145.4 Ų145.487%0.87375%0.754SS**  trans26.7144.9145.1-57.7-52.9000122.4
633S32.4Very low33.4Very low103 Ų103144.6 Ų144.672%0.7276%0.756SS**  cis-167.41522-107.70000112.5
634P34.2Very low33.5Very low120 Ų120148.2 Ų148.278%0.77976%0.76SS**  trans-102.5145167.736.9-30.5000113.2
635M30.2Very low33.5Very low153 Ų153147.3 Ų147.375%0.75475%0.753SS**  trans-156.5137.6166.2-94.4-149.2169.500115.7
636K36.5Very low33.3Very low169 Ų169148.5 Ų148.574%0.73575%0.754SS**  trans59.3120.2147.1-63.6169.9179.3168.50117.8
637K28.7Very low33.2Very low196 Ų196143.2 Ų143.285%0.85275%0.748SS**  51.7110.462.5-72.2-166.4172.1-171.80114.3
638E31.1Very low33.3Very low162 Ų162144.3 Ų144.376%0.75775%0.753SS**  -175.6157.6100.3-110.7-179.981.200113.5
639N33.1Very low33.2Very low125 Ų125144 Ų14467%0.66875%0.749SS**  trans44.5105.3155.8-49.1-30.3000118.3
640Q31.5Very low33Very low151 Ų151143.3 Ų143.371%0.70675%0.751SS**  63.1113.154.9-165.4176.70.700115.5D642Q640-D642 PolarHBondContact NE2-OD1 2.91Å; Q640-D642 VanDerWaalsContact NE2-OD1 3.15Å; Q640-D642 PolarHBondContact NE2-OD2 3.47Å
641K36.3Very low32.8Very low196 Ų196141.6 Ų141.685%0.85275%0.745SS**  trans178.686.2149.9-98.4156.6-174.1174.10106.3
642D29.8Very low32.5Very low114 Ų114146.2 Ų146.261%0.6175%0.754SS**  79.1155.779.3-66.4-40.3000112.8Q640Q640-D642 PolarHBondContact NE2-OD1 2.91Å; Q640-D642 VanDerWaalsContact NE2-OD1 3.15Å; Q640-D642 PolarHBondContact NE2-OD2 3.47Å
643V34.1Very low32.5Very low138 Ų138142.3 Ų142.384%0.83675%0.747SS**  trans83.6117.5-175.8-173.80000114.5
644K33.5Very low32.3Very low172 Ų172144.7 Ų144.775%0.74875%0.751SS**  cis-171.9148.6-13.3-124.9179171.2-169.90110
645I34.7Very low32.3Very low126 Ų126145.4 Ų145.465%0.64675%0.748SS**  trans54.1132.8139.8-72.9169.1000119
646D34.4Very low32.4Very low128 Ų128144.7 Ų144.768%0.68475%0.747SS**  cis-154.3136.6-11.2-101.4-25.9000107.5
647S31Very low32.4Very low101 Ų101143.6 Ų143.671%0.70675%0.749SS**  87.4100.164.4-56.40000113.7
648I34.7Very low32.8Very low156 Ų156141.7 Ų141.780%0.875%0.749SS**  trans-82.7132161.5-59.5169000108.2M650I648-M650 PolarHBondContact O-N 2.92Å
649P33.3Very low33.1Very low117 Ų117140.8 Ų140.876%0.7675%0.749SS**  trans-84106.4164.731.5-29.2000110.7
650M28.2Very low33.3Very low177 Ų177140.2 Ų140.287%0.87275%0.746SS**  trans-92116.5159.5-89.7-165.4-67.600109.5I648I648-M650 PolarHBondContact O-N 2.92Å
651S32.2Very low33.3Very low99 Ų99139 Ų13969%0.69274%0.74SS**  trans-163.7148.7168.3-24.30000108.1
652Q30Very low33.2Very low169 Ų169138.3 Ų138.379%0.7974%0.737SS**  cis-165.7172.9-19.4-120.8162.5-1.600106.6
653T31.8Very low33.3Very low117 Ų117137.5 Ų137.572%0.71874%0.74SS**  trans39118.3156.252.10000119.5
654L29Very low33.2Very low152 Ų152138.5 Ų138.580%0.79674%0.739SS**  57.8139.875.6-68.4174.5000114.8
655N33.8Very low33.1Very low136 Ų136135.4 Ų135.473%0.72774%0.739SS**  trans80.396.1174.8-45.3-12.5000114.9
656D33.3Very low32.8Very low138 Ų138135.9 Ų135.974%0.73874%0.743SS**  30.8130.297.2-45.6-31.3000118.8
657D35.4Very low32.8Very low146 Ų146135 Ų13578%0.78174%0.744SS**  trans68.6150.7148.5-55.7-24000122.2
658D38Very low32.6Very low156 Ų156135.1 Ų135.183%0.83474%0.741SS**  trans59.6146.1165-56.5-15.6000120.7
659D36.2Very low32.5Very low143 Ų143135.6 Ų135.677%0.76574%0.74SS**  cis-162-172.2-37-154.1-16000107.8
660D37.9Very low32.6Very low112 Ų112136.6 Ų136.660%0.59974%0.739SS**  trans74.292.4150-95.90.5000121.7
661Q32Very low32.6Very low126 Ų126134.7 Ų134.759%0.58973%0.732SS**  75.4133.8114.7-75.7-175.758.500123.5
662K33.5Very low32.8Very low181 Ų181137.2 Ų137.279%0.78774%0.738SS**  trans70.3132.6148.9-68.3160.6177.8154.50116.5
663S32.2Very low32.8Very low97 Ų97137.4 Ų137.468%0.67874%0.736SS**  cis-161146.646.552.30000114.8
664I31.5Very low32.9Very low159 Ų159138.2 Ų138.282%0.81574%0.741SS**  trans62.1121.4145.7-61.4163000117
665S32.7Very low33.1Very low107 Ų107136.9 Ų136.975%0.74874%0.739SS**  cis-161.8150.2-1.1470000114
666N27.3Very low32.8Very low136 Ų136134.7 Ų134.773%0.72774%0.735SS**  trans-55.6170.1160.4-76.65000112.8
667P35.4Very low32.5Very low109 Ų109134.4 Ų134.471%0.70873%0.733SS**  cis-114.41642144.4-33.8000114.7
668T26.4Very low32.1Very low104 Ų104133.3 Ų133.364%0.63873%0.726SS**  cis72.5160.731.7-35.30000112.6
669E32.3Very low31.9Very low167 Ų167133.3 Ų133.378%0.7872%0.723SS**  trans71.3130.3-173.8-58175.3-168.200114.6
670D35.1Very low31.5Very low138 Ų138133.6 Ų133.674%0.73872%0.724SS**  cis-153.6173.7-16.1-135.2-32.3000114.7
671N29.4Very low31.1Very low136 Ų136131.5 Ų131.573%0.72773%0.73SS**  trans-96.290.5-179.8-74-94.3000113.5
672D35.6Very low31Very low152 Ų152131.6 Ų131.681%0.81373%0.734SS**  trans-111120.4159.6-81.6-47.3000109.9
673K29.4Very low30.8Very low174 Ų174132.2 Ų132.276%0.75773%0.731SS**  cis68.441.229-71.3-173.5173.4175.50116.8T675K673-T675 PolarHBondContact O-N 3.09Å
674T34.5Very low30.6Very low133 Ų133133.1 Ų133.182%0.81674%0.737SS**  trans-71.771.9147.855.20000111.1
675T32.6Very low30.5Very low124 Ų124128.8 Ų128.876%0.76173%0.731SS**  trans-8899.9158.7-64.30000107.5K673K673-T675 PolarHBondContact O-N 3.09Å
676S27.8Very low30.5Very low90 Ų90131 Ų13163%0.62973%0.734SS**  trans-170.1140.2-179.756.90000111.3
677D27.8Very low30.6Very low133 Ų133133 Ų13371%0.71173%0.733SS**  cis-167.5165.6-17.2-122.7-34.5000113
678I27.3Very low30.4Very low122 Ų122135.9 Ų135.963%0.62674%0.735SS**  trans49.397.8147.3-62.3156000119.2
679M32.7Very low30.8Very low157 Ų157137.8 Ų137.877%0.77374%0.741SS**  159.6106124.5-83-50.3179.800108.8
680N28.1Very low30.9Very low148 Ų148136 Ų13679%0.79174%0.737SS**  77.8130.368.1-72.2-32.6000115.2
681G29.2Very low30.8Very low69 Ų69140.4 Ų140.471%0.71175%0.745SS**  trans101.9101.3172.900000112.8
682D30.7Very low30.7Very low127 Ų127138.1 Ų138.168%0.67974%0.74SS**  70.8133.271.1-81.3-12.4000114.9
683R28.2Very low30.4Very low194 Ų194140.3 Ų140.373%0.73274%0.742SS**  cis-165.8166-15.1-145.8-176.7-82-165.5-2.1110.6
684C27.8Very low30.4Very low117 Ų117141.9 Ų141.979%0.79175%0.745SS**  trans57.7131.1151.8-70.60000120.7
685G31.4Very low30.3Very low68 Ų68141.2 Ų141.270%0.70174%0.743SS**  trans162.956.9149.900000120.6
686N32.4Very low30.4Very low152 Ų152140.4 Ų140.481%0.81374%0.74SS**  trans46.7139.8135.2-58.5-4.6000120.8
687Y29.5Very low30.5Very low179 Ų179143 Ų14370%0.70275%0.752SS**  cis-176.5156.8-8.6-141.9-76.1000107
688F30.7Very low30.5Very low169 Ų169142.4 Ų142.474%0.74175%0.753SS**  trans66.3147.5173.6-59.3-69.5000116.2
689D35.1Very low30.4Very low144 Ų144141.6 Ų141.677%0.7776%0.758SS**  cis-137.81553.8-118-38000111.4
690D32.9Very low30.2Very low129 Ų129139.5 Ų139.569%0.6976%0.759SS**  trans-82.6164.3-173.1-91.2-65000115
691Y33.8Very low30.4Very low231 Ų231138.1 Ų138.191%0.90675%0.751SS**  -173.892.2118.6-99.6-63.8000112.1
692S27.3Very low30.5Very low89 Ų89144.5 Ų144.562%0.62275%0.754SS**  trans-95.3-177.8150.5-70.70000110.3
693F29.4Very low30.4Very low197 Ų197148.4 Ų148.486%0.86476%0.76SS**  trans120.1135.5152.9-78.3-82.1000118.9
694Y30.3Very low30.7Very low208 Ų208145.4 Ų145.482%0.81677%0.766SS**  trans-62.7167.4154.1-81.5-107.3000110.3
695P31.8Very low30.7Very low119 Ų119143.3 Ų143.377%0.77376%0.757SS**  -142140.1107.535.9-24.1000114.4
696P34.9Very low31Very low107 Ų107148.9 Ų148.970%0.69577%0.765SS**  trans-75.9154.8139.936.1-31.7000109.3
697V29.3Very low31Very low145 Ų145150.5 Ų150.588%0.87977%0.767SS**  trans-172.5150.1151.3130.60000110.6
698T26.8Very low31Very low120 Ų120144.9 Ų144.974%0.73676%0.763SS**  trans-108.6171178.350.10000112.2
699S26.6Very low31.2Very low104 Ų104146.6 Ų146.673%0.72777%0.771SS**  trans67124.5156.950.60000120.6
700S28.5Very low31Very low113 Ų113144.3 Ų144.379%0.7977%0.766SS**  trans42.2129.4137.9-50.20000121.6
701D32Very low31.1Very low119 Ų119149.6 Ų149.664%0.63678%0.777SS**  -168.1157.479.8-135.5-10.6000116.2
702R31.6Very low31Very low203 Ų203145.4 Ų145.477%0.76677%0.77SS**  trans51.7102.6156.3-69.9165-131.8-143.5-0.3123.4
703Y28.5Very low31.3Very low209 Ų209149.1 Ų149.182%0.8278%0.782SS**  33.9142.2108-79.5-68.3000121.7A705Y703-A705 HydrophobicContact CD1-CB 4.34Å; Y703-A705 HydrophobicContact CE1-CB 4.45Å
704P34.4Very low31.3Very low132 Ų132142.6 Ų142.686%0.85777%0.771SS**  -125.1172.969.439.5-31.2000116.1
705A28.2Very low31.4Very low73 Ų73140.9 Ų140.960%0.60377%0.774SS**  trans-105.7165.1-167.700000114.5Y703Y703-A705 HydrophobicContact CD1-CB 4.34Å; Y703-A705 HydrophobicContact CE1-CB 4.45Å
706H36.4Very low31.3Very low184 Ų184143.4 Ų143.485%0.85278%0.775SS**  trans-153.8153.3143.6-104.5-78000111.3
707H33.5Very low31Very low186 Ų186143.6 Ų143.686%0.86178%0.775SS**  trans-67.1164.3-175.1-49.5-98.6000113.7
708G29Very low31.3Very low61 Ų61144.2 Ų144.263%0.62977%0.773SS**  cis151.5176.9-1.500000112.5
709K36.1Very low31.5Very low205 Ų205146.4 Ų146.489%0.89178%0.775SS**  trans76.1129.2-171.7-48.8174-176.2-179.40113.1
710S30.1Very low31.8Very low96 Ų96148 Ų14867%0.67178%0.775SS**  cis78.512136.2-178.90000114.1
711W34.4Very low31.9Very low241 Ų241148.7 Ų148.791%0.91377%0.77SS**  -160.7147.4116.8-103.133.4000108.9
712D31.4Very low31.7Very low143 Ų143149.7 Ų149.777%0.76577%0.774SS**  trans-96.8158.9172.5-64.7-83.3000110
713D34.7Very low31.5Very low166 Ų166145.4 Ų145.489%0.88877%0.771SS**  trans-168.3149.4131.8-104.4-30.2000109.5
714G28.8Very low31.3Very low60 Ų60145.2 Ų145.262%0.61977%0.77SS**  trans-122.1-173.4172.200000111
715I31.8Very low31Very low172 Ų172146 Ų14688%0.88277%0.767SS**  trans-165.5137.6143-103.5151.3000111.6
716H30.8Very low31Very low173 Ų173149.7 Ų149.780%0.80178%0.776SS**  trans-1.1147.9172.6-92.9-88.2000125.7
717T28.8Very low31Very low111 Ų111145.2 Ų145.268%0.68176%0.764SS**  trans-60.6162.5154.353.60000114.4
718D35.8Very low30.7Very low157 Ų157143.9 Ų143.984%0.8476%0.762SS**  -146.4163.8119.8-144-16.2000112.2
719Q31Very low30.7Very low167 Ų167147.7 Ų147.778%0.7876%0.759SS**  trans-116.3153.2178.2-64179.7-14.700110.5
720N32.9Very low30.6Very low136 Ų136141.2 Ų141.273%0.72774%0.737SS**  trans177.4121.5145-100.2-63.6000111.8
721N29.5Very low30.5Very low128 Ų128142.1 Ų142.168%0.68474%0.735SS**  54.5140.5114.3-72.6-20.9000121.1
722L27.5Very low30.3Very low140 Ų140134.8 Ų134.873%0.73371%0.712SS**  cis-161.8155.14.8-101.2155.2000112.1
723V27.5Very low30.1Very low113 Ų113132.9 Ų132.969%0.68571%0.711SS**  trans62.5108.9142.5169.50000122.2
724Y24.8Very low29.6Very low206 Ų206130.2 Ų130.281%0.80870%0.7SS**  25126.5120.4-97.6-99.8000120.6
725N27.6Very low29.5Very low149 Ų149134.4 Ų134.480%0.79771%0.708SS**  174.6145.6104.7-87.5-46.2000113.9
726D29.8Very low29.3Very low149 Ų149131.8 Ų131.880%0.79771%0.705SS**  trans-99.4-176.3168-141.94.6000108.3
727P34.6Very low29Very low90 Ų90133.4 Ų133.458%0.58471%0.71SS**  cis-138-165.3-11.725.61.5000115.1
728L27.8Very low29Very low159 Ų159133.5 Ų133.583%0.83271%0.713SS**  trans104.1140149.1-52.9177.7000121.9
729Y28.6Very low28.4Very low141 Ų141132.2 Ų132.255%0.55371%0.71SS**  trans-106.2-172.3170.9-69.6-51.8000110.8V950 Q951Y729-V950 HydrophobicContact CD1-CB 4.38Å; Y729-V950 HydrophobicContact CD1-CG1 3.22Å; Y729-V950 HydrophobicContact CD2-CG1 3.83Å; Y729-V950 HydrophobicContact CE1-CG1 3.45Å; Y729-V950 VanDerWaalsContact CE1-CG1 3.45Å; Y729-V950 HydrophobicContact CE2-CG1 4.05Å; Y729-V950 HydrophobicContact CG-CB 4.19Å; Y729-V950 HydrophobicContact CG-CG1 3.4Å; Y729-Q951 HydrophobicContact CE1-CB 4.27Å; Y729-Q951 VanDerWaalsContact CE1-OE1 3.24Å; Y729-Q951 HydrophobicContact CE2-CB 4.19Å; Y729-Q951 VanDerWaalsContact CZ-OE1 3.31Å; Y729-Q951 WeakPolarHBondContact OH-CB 3.29Å; Y729-Q951 PolarHBondContact OH-OE1 3.48Å
730P34.1Very low28.2Very low68 Ų68133.9 Ų133.944%0.44272%0.715SS.*  cis-142179.14.444-25.7000118.4C948 H949 V950P730-C948 HydrophobicContact CG-CB 4.09Å; P730-H949 WeakPolarHBondContact CB-O 3.09Å; P730-V950 HydrophobicContact CB-CB 3.72Å; P730-V950 HydrophobicContact CB-CG2 3.65Å
731N29.3Very low27.8Very low116 Ų116131.2 Ų131.262%0.6271%0.707SS**  trans-163.3164.3147.3-121.9-75000118.3H949 V950N731-H949 VanDerWaalsContact C-CB 3.47Å; N731-H949 WeakPolarHBondContact O-CB 3.29Å; N731-H949 PolarHBondContact O-ND1 3.43Å; N731-H949 VanDerWaalsContact O-ND1 3.07Å; N731-V950 WeakPolarHBondContact O-CG2 3.37Å
732I28.6Very low27.6Very low86 Ų86132.7 Ų132.744%0.44171%0.71SS.*  trans-94.4143.8-174.4-74.1178.3000113.8C948 H949I732-C948 HydrophobicContact CD1-CB 4.39Å; I732-C948 VanDerWaalsContact CD1-SG 3.59Å; I732-C948 HydrophobicContact CG1-CB 4.15Å; I732-C948 VanDerWaalsContact CG1-SG 3.52Å; I732-H949 HydrophobicContact CB-CB 4.25Å; I732-H949 HydrophobicContact CG1-CB 3.5Å
733S27.2Very low27.7Very low104 Ų104135.4 Ų135.473%0.72772%0.716SS**  174.3165.4121.158.70000113.5
734V25.9Very low27.6Very low109 Ų109135.3 Ų135.366%0.66172%0.716SS**  trans-136.8158.8-161.8-166.90000110.7
735N25.5Very low27.8Very low148 Ų148131.3 Ų131.379%0.79171%0.709SS**  trans94.5108171.3-55.5-34.8000117
736S27.8Very low27.8Very low118 Ų118131.2 Ų131.283%0.82570%0.703SS**  170.4117.3122.5-74.80000110.7
737F24.2Very low27.6Very low207 Ų207134 Ų13491%0.90870%0.702SS**  trans-76.9146161.7-81.7-86.8000109.6
738P28.7Very low27.3Very low113 Ų113138.1 Ų138.173%0.73471%0.712SS**  -135.2157.1116.337.5-29.2000113.6
739V24.3Very low27.4Very low130 Ų130134.8 Ų134.879%0.78871%0.707SS**  trans-86.2131.9168.7173.60000109.3
740F26.1Very low27.9Very low201 Ų201134.5 Ų134.588%0.88272%0.723SS**  trans-149.2169.2157.3-102.2-70.4000111.7
741S24.8Very low27.9Very low80 Ų80134.3 Ų134.356%0.55973%0.733SS**  trans-117.4166.5-159.556.90000114.7
742E25.9Very low28Very low160 Ų160134.6 Ų134.675%0.74874%0.744SS**  trans64.3129.9160.6-64.6150.6129.400116.4
743F28.1Very low28.2Very low196 Ų196137.3 Ų137.386%0.8676%0.764SS**  -158.7176.771.1-113.3-92.5000113.6
744T26.8Very low28.4Very low112 Ų112137.4 Ų137.469%0.68777%0.765SS**  trans-94.3154.5179.955.30000113.1
745D27.9Very low28.7Very low121 Ų121138.3 Ų138.365%0.64777%0.77SS**  178.2125.9109.6-104.829.9000117.2
746H27.7Very low29.1Very low147 Ų147136.8 Ų136.868%0.68177%0.768SS**  41.1112.6124.7-72.6-43.5000123.6
747R25.8Very low29.3Very low207 Ų207137.3 Ų137.378%0.78177%0.766SS**  169.1147.8101.7-91.7151.5-162.3-137.63.2118.5
748F27.3Very low29.7Very low177 Ų177133.9 Ų133.978%0.77676%0.763SS**  trans33.8128.5154.9-54.6-58.5000122
749A31.6Very low30.4Very low89 Ų89133.3 Ų133.374%0.73676%0.759SS**  cis80162.643.600000114.7
750P39.2Very low30.8Very low136 Ų136133.4 Ų133.488%0.88375%0.75SS**  cis-139.3-175.2-9.641.8-23.4000116.5
751G33.7Very low31.2Very low63 Ų63128.4 Ų128.465%0.64974%0.736SS**  trans146.795.7159.600000115.3
752S31Very low31.5Very low122 Ų122131.4 Ų131.485%0.85374%0.739SS**  74.61409468.20000114.7
753V32.6Very low31.8Very low143 Ų143132.8 Ų132.887%0.86774%0.737SS**  cis-133.4164.823.2174.70000112
754S32.4Very low32Very low106 Ų106129.1 Ų129.174%0.74173%0.731SS**  trans-135.2-157.4-170.962.80000113.9
755V32Very low32.1Very low129 Ų129132.2 Ų132.278%0.78274%0.738SS**  trans113.8132.4165.3173.20000115.9
756P32.8Very low32Very low115 Ų115133.9 Ų133.975%0.74774%0.744SS**  cis-136-169.4-23.337.4-16.4000116
757V33Very low32.1Very low129 Ų129135.4 Ų135.478%0.78276%0.755SS**  trans-127.4-175176.2-152.80000110.3
758T31.8Very low32.1Very low136 Ų136131.9 Ų131.983%0.83475%0.751SS**  -176.7172.783.839.30000115.5
759P44Very low32.2Very low100 Ų100130.7 Ų130.765%0.64975%0.753SS**  trans-134-159.7-165.745.3-27.8000116.4
760H31.9Very low31.9Very low133 Ų133135.9 Ų135.962%0.61675%0.753SS**  trans-175.4170.5146.6-98.7-47.6000117.4
761V34.4Very low31.5Very low95 Ų95139.9 Ų139.958%0.57675%0.751SS**  trans-148.3-175.3-167.4167.30000111.7S1037V761-S1037 CarbonylContact C-O 3.58Å; V761-S1037 WeakPolarHBondContact CA-O 3.41Å; V761-S1037 WeakPolarHBondContact CB-O 3.11Å; V761-S1037 PolarHBondContact N-O 2.86Å; V761-S1037 CarbonylContact O-C 3.44Å; V761-S1037 PolarHBondContact O-N 3.1Å
762K32.5Very low31.2Very low144 Ų144142.3 Ų142.363%0.62675%0.753SS**  trans-161.2161.1151.6-137.1156.8-163.6152.80115.2L1035 A1036 S1037K762-L1035 PolarHBondContact NZ-O 2.91Å; K762-A1036 WeakPolarHBondContact CD-O 3.31Å; K762-A1036 WeakPolarHBondContact CE-O 3.34Å; K762-A1036 PolarHBondContact NZ-O 3.26Å; K762-S1037 WeakPolarHBondContact CG-OG 3.21Å; K762-S1037 PolarHBondContact N-O 2.59Å
763R32Very low31Very low188 Ų188143.1 Ų143.171%0.70975%0.748SS**  trans-155.2161.6-171.1-170-178.3-174173.93.6116.4
764T31.4Very low30.8Very low120 Ų120140.9 Ų140.974%0.73674%0.737SS**  trans-158.8169.7172.4290000109.4
765E29.9Very low30.5Very low177 Ų177146.7 Ų146.783%0.82775%0.745SS**  cis-163.9-161.8-26.6-156.4165.6-79.200109.2
766M25.5Very low30.8Very low156 Ų156145.7 Ų145.777%0.76874%0.741SS**  trans-149149.5-176.7-73.718061.200116
767I29Very low30.7Very low179 Ų179149.5 Ų149.592%0.91875%0.749SS**  trans-141.9149.9153.8-61.6-175.1000109.5
768L25.5Very low30.5Very low133 Ų133148.7 Ų148.770%0.69675%0.749SS**  trans-149.9138.4-174.4-175.8157.3000111.8R770L768-R770 HydrophobicContact CD2-CG 4.48Å
769D29.4Very low30.4Very low152 Ų152147.8 Ų147.881%0.81375%0.748SS**  trans-149.2175.8162.6-149.9-9.6000113.5
770R27.1Very low29.5Very low198 Ų198151.8 Ų151.875%0.74776%0.755SS**  trans-132.5155.5-152.8-62.2157.9142.5177.9-6.6114.7L768L768-R770 HydrophobicContact CD2-CG 4.48Å
771R28.8Very low29.2Very low219 Ų219155.3 Ų155.383%0.82676%0.764SS**  150.1129.7117.3-84.9-179.8169.8173.4-2115.9
772T27.9Very low29.1Very low115 Ų115155.6 Ų155.671%0.70677%0.768SS**  trans50.3153.6138.961.80000121.5
773N27.8Very low28.8Very low139 Ų139158 Ų15874%0.74378%0.778SS**  cis-174.4-179.7-7.1-99.77.9000107.3
774C27.8Very low28.5Very low95 Ų95158.1 Ų158.164%0.64279%0.787SS**  cis-170.4170.9-46.3-96.10000110.6
775Y27.1Very low28.2Very low228 Ų228157.1 Ų157.189%0.89479%0.785SS**  trans83.5156.7158.7-72.1-43.6000122.8
776P37.4Very low28Very low108 Ų108155.1 Ų155.170%0.70179%0.785SS**  trans-142.4-170.4-144.844.8-23.9000116.4
777Q30.7Very low27.9Very low195 Ų195152.2 Ų152.291%0.91178%0.78SS**  trans-156.1-158.4142.2-121.5172.817.100114
778S28.6Very low27.7Very low113 Ų113149.5 Ų149.579%0.7978%0.775SS**  trans-144.6160.2-152.452.20000117.8
779S30.6Very low27.9Very low116 Ų116148.6 Ų148.681%0.81178%0.778SS**  trans-148.4167.9167.260.90000112.2
780F24.4Very low27.7Very low184 Ų184148 Ų14881%0.80778%0.779SS**  trans-159.8134.2-155.9-113.4-163.9000116.8
781W25.2Very low27.5Very low207 Ų207145.7 Ų145.778%0.78478%0.782SS**  trans59.2179.7154.5-5699.9000120.1
782P33.4Very low27.4Very low102 Ų102143.2 Ų143.266%0.66278%0.784SS**  -142-178.9-68.244.8-29.7000118.3
783F25.1Very low27.3Very low194 Ų194146.2 Ų146.285%0.85179%0.79SS**  trans30.6125.6147-90.7-92.6000122.1
784E26Very low27.3Very low190 Ų190144.6 Ų144.689%0.88879%0.789SS**  -167.8-168.5102.2-120.1177.3-16700112.5
785S25.5Very low27.3Very low99 Ų99149.8 Ų149.869%0.69280%0.804SS**  trans-130.6151.1-157.370.70000116.5
786T24.8Very low27.3Very low135 Ų135148.1 Ų148.183%0.82880%0.796SS**  175.1146.3126.428.30000115.5
787S24.6Very low26.9Very low95 Ų95146.2 Ų146.266%0.66479%0.79SS**  trans39.9110.8152.262.20000124.2
788C24.7Very low26.7Very low122 Ų122141.2 Ų141.282%0.82477%0.772SS**  62.5162.2120.1-57.40000122.2
789P29Very low26.7Very low115 Ų115143.4 Ų143.475%0.74776%0.764SS**  -137.3127.6-51.536.5-20.1000113
790V24.4Very low26.5Very low139 Ų139145.9 Ų145.984%0.84276%0.76SS**  trans-141.9141.5176.9-176.30000113.1
791D23.8Very low27.1Very low150 Ų150139.6 Ų139.680%0.80274%0.737SS**  trans-11.2139172.8-57.9-49.5000121
792L26.2Very low27.5Very low167 Ų167139.9 Ų139.987%0.87475%0.747SS**  trans-150.698.1154.6-116.3162000113S794L792-S794 PolarHBondContact O-N 2.8Å
793H25.9Very low27.8Very low178 Ų178138.6 Ų138.682%0.82474%0.74SS**  trans-64.7123.9165.8-74.2-52.7000111
794S27.3Very low28.3Very low105 Ų105134.9 Ų134.973%0.73473%0.73SS**  trans155.697.9130.653.70000113.6L792 R796L792-S794 PolarHBondContact O-N 2.8Å; S794-R796 PolarHBondContact O-N 3.12Å
795E28.3Very low28.5Very low203 Ų203133 Ų13395%0.94972%0.719SS**  trans-74.298.1172.9-67.1-168.4147.400111.9
796R27.6Very low28.7Very low193 Ų193136.9 Ų136.973%0.72872%0.723SS**  trans-134.484.7162.4-76.5-171177.4134.36109.9S794 V798S794-R796 PolarHBondContact O-N 3.12Å; R796-V798 PolarHBondContact O-N 2.84Å
797A28.1Very low28.9Very low69 Ų69133.7 Ų133.757%0.5770%0.703SS**  trans-66.199.2172.600000110.9Y799A797-Y799 HydrophobicContact CB-CD2 4.42Å; A797-Y799 HydrophobicContact CB-CE2 3.72Å
798V27.9Very low29.2Very low89 Ų89133.8 Ų133.854%0.53970%0.7SS.*  trans-100.290.1177.1-178.80000109.5R796 K800R796-V798 PolarHBondContact O-N 2.84Å; V798-K800 PolarHBondContact O-N 2.93Å
799Y28.3Very low29.4Very low160 Ų160132.5 Ų132.563%0.62768%0.684SS**  trans-71.8127.6175.7-62.9-78.6000111.3A797A797-Y799 HydrophobicContact CB-CD2 4.42Å; A797-Y799 HydrophobicContact CB-CE2 3.72Å
800K25.8Very low29.7Very low167 Ų167131.6 Ų131.673%0.72667%0.666SS**BIsolated β-bridgetrans-96.7105177.5-165.9179.1-178.4-173.30109.2V798 N804V798-K800 PolarHBondContact O-N 2.93Å; K800-N804 WeakPolarHBondContact CE-OD1 3.32Å
801T37.2Very low30.1Very low53 Ų53129.7 Ų129.733%0.32566%0.657SS.*  trans-69155176.565.80000111.1S803 N804 K805 V807T801-S803 PolarHBondContact O-N 3.31Å; T801-S803 PolarHBondContact OG1-OG 2.94Å; T801-N804 PolarHBondContact O-N 3.29Å; T801-K805 PolarHBondContact OG1-N 2.92Å; T801-K805 PolarHBondContact OG1-O 3.04Å; T801-K805 VanDerWaalsContact OG1-O 3.09Å; T801-V807 HydrophobicContact CG2-CG2 4.24Å
802Q34.4Very low30.5Very low213 Ų213125.4 Ų125.4100%0.99564%0.638SS**THydrogen-bonded Turntrans-55.8-20.8173.2-75.6176.8-25.400113N804Q802-N804 VanDerWaalsContact C-N 3.31Å; Q802-N804 PolarHBondContact O-N 3.48Å
803S39.8Very low30.7Very low74 Ų74123.2 Ų123.252%0.51762%0.619SS.*THydrogen-bonded Turntrans-837.4175.275.90000115.3T801 K805T801-S803 PolarHBondContact O-N 3.31Å; T801-S803 PolarHBondContact OG1-OG 2.94Å; S803-K805 PolarHBondContact O-N 3.33Å
804N34.8Very low30.9Very low117 Ų117118.9 Ų118.963%0.62660%0.602SS**  trans57.41.7-171.8-94.5-39.1000116.1K800 T801 Q802 K806K800-N804 WeakPolarHBondContact CE-OD1 3.32Å; T801-N804 PolarHBondContact O-N 3.29Å; Q802-N804 VanDerWaalsContact C-N 3.31Å; Q802-N804 PolarHBondContact O-N 3.48Å; N804-K806 PolarHBondContact O-N 3.25Å
805K29.9Very low31Very low150 Ų150117.4 Ų117.465%0.65259%0.588SS**  trans-71.5121.3175.4-67.4177-178.7175.40110.2T801 S803 V807T801-K805 PolarHBondContact OG1-N 2.92Å; T801-K805 PolarHBondContact OG1-O 3.04Å; T801-K805 VanDerWaalsContact OG1-O 3.09Å; S803-K805 PolarHBondContact O-N 3.33Å; K805-V807 PolarHBondContact O-N 3.04Å
806K28.9Very low31.1Very low181 Ų181112.6 Ų112.679%0.78757%0.573SS**BIsolated β-bridgetrans-71115.7169.4-71.1-176.6177.91800109.2N804N804-K806 PolarHBondContact O-N 3.25Å
807V29.4Very low31.2Very low68 Ų68109 Ų10941%0.41257%0.568SS.*  trans-100.1129.6168.9-1770000107.8T801 K805 L809T801-V807 HydrophobicContact CG2-CG2 4.24Å; K805-V807 PolarHBondContact O-N 3.04Å; V807-L809 HydrophobicContact CG1-CD2 3.99Å; V807-L809 HydrophobicContact CG1-CG 4.21Å
808V31.5Very low31.2Very low97 Ų97110.7 Ų110.759%0.58857%0.567SS**  trans-108.9109.1172.1178.50000106.8Y810V808-Y810 HydrophobicContact CG1-CE2 4.05Å
809L28.6Very low31.4Very low95 Ų95108.7 Ų108.750%0.49756%0.564SS.*  trans-85.5128.9175.6-63.6171000108.8V807 L814V807-L809 HydrophobicContact CG1-CD2 3.99Å; V807-L809 HydrophobicContact CG1-CG 4.21Å; L809-L814 HydrophobicContact CB-CD1 4.42Å; L809-L814 HydrophobicContact CD1-CD1 4.31Å; L809-L814 HydrophobicContact CD1-CD2 4.42Å
810Y34.6Very low31.4Very low96 Ų96105.3 Ų105.338%0.37656%0.562SS.*  trans-98.3147.7166.7-70-84.3000108.7V808 S812 Y813V808-Y810 HydrophobicContact CG1-CE2 4.05Å; Y810-S812 PolarHBondContact O-N 3.08Å; Y810-Y813 PolarHBondContact O-N 3.47Å
811P33.9Very low31.6Very low98 Ų98101.7 Ų101.764%0.63655%0.553SS**G310 helixtrans-56.5-25.2-171.5-28.636.2000115.4Y813P811-Y813 PolarHBondContact O-N 2.88Å
812S31.2Very low31.4Very low60 Ų60105.1 Ų105.142%0.4256%0.561SS.*G310 helixtrans-55.6-13.7-177.4-460000116.5Y810Y810-S812 PolarHBondContact O-N 3.08Å
813Y32.3Very low31.3Very low121 Ų121101.5 Ų101.548%0.47556%0.556SS.*G310 helixtrans-127.610.2-168.1-71.1-66.2000115.7T16 Y810 P811T16-Y813 HydrophobicContact CG2-CE2 3.96Å; T16-Y813 WeakPolarHBondContact CG2-OH 3.19Å; Y810-Y813 PolarHBondContact O-N 3.47Å; P811-Y813 PolarHBondContact O-N 2.88Å
814L30Very low31.1Very low87 Ų87103.9 Ų103.946%0.45556%0.563SS.*THydrogen-bonded Turntrans-102.1-20.1-179.6-80.7166.2000115.1L809 T816L809-L814 HydrophobicContact CB-CD1 4.42Å; L809-L814 HydrophobicContact CD1-CD1 4.31Å; L809-L814 HydrophobicContact CD1-CD2 4.42Å; L814-T816 PolarHBondContact O-N 3.01Å
815V29.4Very low30.9Very low75 Ų75100.5 Ų100.546%0.45556%0.556SS.*THydrogen-bonded Turntrans-93.272.6-170.6-167.40000111.9
816T29.9Very low31Very low102 Ų10295.8 Ų95.863%0.62654%0.542SS*.THydrogen-bonded Turntrans-141.5-13.5168.453.50000115.8L814L814-T816 PolarHBondContact O-N 3.01Å
817N28.8Very low31Very low116 Ų11693.8 Ų93.862%0.6253%0.534SS*.SBendtrans-145.316177.9-61-77000113.8R180R180-N817 PolarHBondContact NH2-OD1 2.87Å
818L29.4Very low30.9Very low106 Ų10694.7 Ų94.756%0.55554%0.542SS*.  trans-122.9135.5175.7-66.3173.6000108.7F827L818-F827 HydrophobicContact CD2-CE1 4.48Å
819G30.5Very low30.6Very low46 Ų4693.3 Ų93.347%0.47455%0.548SS..  trans-74.2174.4173.400000112.3V821G819-V821 PolarHBondContact O-N 3.39Å
820P29.8Very low30.5Very low89 Ų8995.6 Ų95.658%0.57856%0.559SS**PPolyproline II helixtrans-60128.3176.826.3-34.2000110.5
821V29.7Very low30Very low91 Ų9195.6 Ų95.655%0.55258%0.578SS**BIsolated β-bridgetrans-88121.7172.4178.60000107.6G819 F827G819-V821 PolarHBondContact O-N 3.39Å; V821-F827 HydrophobicContact CG2-CE1 4.01Å; V821-F827 HydrophobicContact CG2-CZ 4.24Å
822Y33.6Very low29.7Very low126 Ų12697.4 Ų97.449%0.49458%0.582SS.*PPolyproline II helixtrans-76.8160.1176.1-72.1-78.7000111.3D824 G825Y822-D824 WeakPolarHBondContact CB-OD1 3.41Å; Y822-D824 PolarHBondContact O-N 3.29Å; Y822-G825 PolarHBondContact O-N 3.3Å
823P31.6Very low29.4Very low137 Ų137103.4 Ų103.489%0.8960%0.601SS**THydrogen-bonded Turntrans-61.9-8.8-178.8-24.735.7000115.7
824D35.6Very low29.1Very low123 Ų123102.8 Ų102.866%0.65861%0.614SS**THydrogen-bonded Turntrans-93.3-2.9174.560.85.4000113.5Y822 S826Y822-D824 WeakPolarHBondContact CB-OD1 3.41Å; Y822-D824 PolarHBondContact O-N 3.29Å; D824-S826 VanDerWaalsContact C-N 3.32Å; D824-S826 VanDerWaalsContact OD1-CB 3.22Å; D824-S826 WeakPolarHBondContact OD1-CB 3.35Å; D824-S826 PolarHBondContact OD1-N 3.43Å; D824-S826 PolarHBondContact OD1-OG 3.35Å; D824-S826 PolarHBondContact OD2-OG 2.94Å
825G30.9Very low28.9Very low47 Ų47106.2 Ų106.249%0.48563%0.632SS.*  trans79.18.1-175.900000114.9Y822Y822-G825 PolarHBondContact O-N 3.3Å
826S31.8Very low28.9Very low50 Ų50107.3 Ų107.335%0.3564%0.643SS.*  trans-73140.4178.867.40000112.6D824D824-S826 VanDerWaalsContact C-N 3.32Å; D824-S826 VanDerWaalsContact OD1-CB 3.22Å; D824-S826 WeakPolarHBondContact OD1-CB 3.35Å; D824-S826 PolarHBondContact OD1-N 3.43Å; D824-S826 PolarHBondContact OD1-OG 3.35Å; D824-S826 PolarHBondContact OD2-OG 2.94Å
827F29.3Very low28.8Very low140 Ų140108.4 Ų108.461%0.61466%0.655SS**BIsolated β-bridgetrans-106.5115.8175.1-78.4-89000110.4L818 V821 G829L818-F827 HydrophobicContact CD2-CE1 4.48Å; V821-F827 HydrophobicContact CG2-CE1 4.01Å; V821-F827 HydrophobicContact CG2-CZ 4.24Å; F827-G829 PolarHBondContact O-N 3.06Å; F827-G829 VanDerWaalsContact O-N 3.08Å
828C25.6Very low28.7Very low86 Ų86106.4 Ų106.458%0.58166%0.661SS**  trans-78.291.7169.2-168.90000110.3I830C828-I830 PolarHBondContact O-N 3.37Å
829G25.2Very low28.6Very low69 Ų69108.7 Ų108.771%0.71167%0.674SS**  trans-74.397.2175.100000112F827 A831F827-G829 PolarHBondContact O-N 3.06Å; F827-G829 VanDerWaalsContact O-N 3.08Å; G829-A831 VanDerWaalsContact C-N 3.32Å; G829-A831 PolarHBondContact O-N 3.13Å
830I27.3Very low28.5Very low143 Ų143115.7 Ų115.773%0.73369%0.694SS**  trans-72.686176.4-52.8-179.5000110.1C828 L832C828-I830 PolarHBondContact O-N 3.37Å; I830-L832 HydrophobicContact CG2-CD2 4.43Å; I830-L832 HydrophobicContact CG2-CG 4.28Å; I830-L832 PolarHBondContact O-N 3.32Å
831A24.4Very low28.2Very low95 Ų95117.4 Ų117.479%0.78571%0.707SS**  trans-74.787.8173.300000110.8G829 K833G829-A831 VanDerWaalsContact C-N 3.32Å; G829-A831 PolarHBondContact O-N 3.13Å; A831-K833 PolarHBondContact O-N 2.95Å
832L27.2Very low28Very low136 Ų136121.6 Ų121.671%0.71273%0.725SS**  trans-66.495.3170.2-74176.6000110.2I830 S834I830-L832 HydrophobicContact CG2-CD2 4.43Å; I830-L832 HydrophobicContact CG2-CG 4.28Å; I830-L832 PolarHBondContact O-N 3.32Å; L832-S834 PolarHBondContact O-N 3.29Å
833K26.1Very low27.5Very low186 Ų186122.6 Ų122.681%0.80975%0.745SS**  trans-69.9111179.5-149.9174-170.31780109.5A831A831-K833 PolarHBondContact O-N 2.95Å
834S25.7Very low27.2Very low108 Ų108119.9 Ų119.976%0.75574%0.742SS**  trans-68.4133.5169.7-171.70000109.6L832L832-S834 PolarHBondContact O-N 3.29Å
835L25.9Very low26.7Very low159 Ų159122.3 Ų122.383%0.83275%0.749SS**  trans-136.8116.8174.6-89.1168.4000108.6
836S28Very low26.5Very low99 Ų99127.3 Ų127.369%0.69276%0.763SS**  trans-133.4131.8176550000109.6
837S28Very low26.3Very low125 Ų125129.7 Ų129.787%0.87478%0.777SS**  trans48.5114.6169.156.60000118.9
838G28.1Very low26Very low73 Ų73130.6 Ų130.675%0.75379%0.787SS**  trans-172.667.9171.500000112.3H840G838-H840 PolarHBondContact O-N 3.33Å; G838-H840 VanDerWaalsContact O-N 3.09Å
839N25.7Very low26Very low155 Ų155132 Ų13283%0.82979%0.793SS**  trans-71.999.6-173.7-76.2-13.1000112.9
840H29.3Very low25.8Very low193 Ų193133.5 Ų133.589%0.89479%0.792SS**  trans-139.7115.1151.1-86-68.9000110.7G838G838-H840 PolarHBondContact O-N 3.33Å; G838-H840 VanDerWaalsContact O-N 3.09Å
841C22.8Very low25.9Very low125 Ų125133 Ų13385%0.84580%0.795SS**  trans-88.5113.3177.5-60.40000110
842L25.7Very low25.8Very low179 Ų179136.6 Ų136.694%0.93780%0.796SS**  trans-137.6133155.4-76.9-179.3000109.2
843T23.8Very low25.8Very low147 Ų147138.7 Ų138.790%0.90280%0.802SS**  trans-100.4140-17347.50000111.6
844G24.7Very low25.9Very low80 Ų80134.1 Ų134.183%0.82579%0.794SS**  trans-172126.9169.400000110.9
845E24.4Very low26Very low174 Ų174136.6 Ų136.681%0.81380%0.797SS**  trans-112.2139.5-175.6-66-173.7130.700111.7
846I26.5Very low26Very low151 Ų151132.9 Ų132.977%0.77478%0.784SS**  trans71152.1142.1-70.5169.4000113.8
847P27.7Very low26.1Very low100 Ų100137.1 Ų137.165%0.64979%0.79SS**  cis-128.2169.125.543.3-28.6000118.6V849P847-V849 HydrophobicContact CG-CG2 4.38Å
848I23.5Very low26.1Very low159 Ų159139.2 Ų139.282%0.81579%0.786SS**  trans-69.7140.7156.4-62.4161.8000108.6
849V25.3Very low26.4Very low116 Ų116141.4 Ų141.470%0.70379%0.787SS**  trans-128.2116.5167.3177.40000109.2P847P847-V849 HydrophobicContact CG-CG2 4.38Å
850S21.9Very low26.6Very low101 Ų101141.6 Ų141.671%0.70678%0.783SS**  trans-75.3142.8162.4-57.90000109.3
851V28.7Very low26.8Very low132 Ų132138.8 Ų138.880%0.878%0.779SS**  trans-113.6106.2167.8-179.70000107.7
852E23.5Very low27.1Very low171 Ų171136.4 Ų136.480%0.79976%0.764SS**  trans-90.7170.6165.6-66.3-174.4118.100110.2
853E26.7Very low27.4Very low179 Ų179137.4 Ų137.484%0.83676%0.761SS**  trans67.2142.1178.4-40.9-167.6120.100113.8
854S28Very low27.6Very low91 Ų91136.2 Ų136.264%0.63675%0.754SS**  cis-159148.833.8-680000112.9
855I27Very low28.1Very low160 Ų160137 Ų13782%0.82175%0.745SS**  trans61.5131.3135.7-64.5169.3000118.6
856S25.8Very low28.4Very low80 Ų80137.5 Ų137.556%0.55974%0.744SS**  cis-175.5171.4-9.460.80000111.5
857K31Very low28.5Very low188 Ų188135.4 Ų135.482%0.81774%0.739SS**  trans74.6110.1160.7-61.1163.4-174.2177.10117
858E29.2Very low28.4Very low170 Ų170137.4 Ų137.479%0.79474%0.742SS**  55.6148.766.9-89.6-166.8-138.200115.9
859P34.2Very low28.6Very low118 Ų118136 Ų13677%0.76674%0.741SS**  cis-130.2177.724.540.1-22.7000118.6
860E29.2Very low29Very low160 Ų160136.2 Ų136.275%0.74875%0.745SS**  trans-54.4165.8179.9-41.1177.1118.200116.8
861T33.1Very low29.3Very low134 Ų134134.9 Ų134.982%0.82275%0.747SS**  -155.3146.6113.40.80000114
862S28.3Very low29.3Very low75 Ų75134 Ų13452%0.52475%0.747SS.*  trans-33.4154.6167.452.20000117.1
863F33.1Very low29.4Very low199 Ų199133.7 Ų133.787%0.87375%0.749SS**  cis-138.7155.640-86.8-90.6000116.6
864T27.6Very low29.8Very low123 Ų123130.5 Ų130.576%0.75574%0.744SS**  trans-126-164-174.553.20000109.8
865P35.8Very low29.8Very low97 Ų97130.2 Ų130.263%0.6375%0.747SS**  -125.1-111-78.738.9-21.9000111.6
866F29.7Very low30Very low183 Ų183129.7 Ų129.780%0.80375%0.746SS**  trans82.5141.2172.7-58.1-70.5000118.8
867V28.3Very low30.4Very low108 Ų108133.2 Ų133.266%0.65575%0.753SS**  cis-170.3139.6-31.5103.30000110.3
868I26.3Very low30.5Very low142 Ų142129.9 Ų129.973%0.72874%0.744SS**  trans53.6139.5154-58.6159.5000116.9
869V28.6Very low30.8Very low128 Ų128128.3 Ų128.378%0.77674%0.741SS**  -173130.691.5163.20000109.3
870P32.7Very low30.7Very low122 Ų122129.9 Ų129.979%0.79274%0.738SS**  trans-93144.6156.835.9-29.9000110.8
871G28.2Very low31Very low73 Ų73127.4 Ų127.475%0.75373%0.734SS**  trans144.8-179.1174.500000114.3
872S28.4Very low31.1Very low113 Ų113129 Ų12979%0.7973%0.73SS**  trans-138.8166.4-172.3-52.10000112
873L26.8Very low31.4Very low164 Ų164131.3 Ų131.386%0.85974%0.736SS**  trans76.2162.6167-57.7161.5000115.6
874P35.3Very low31.5Very low112 Ų112125.7 Ų125.773%0.72772%0.722SS**  cis-145.3177.2-43.941.1-25.6000116.3
875A27.4Very low32Very low85 Ų85128.1 Ų128.170%0.70272%0.722SS**  trans81.3159.9140.500000122.8
876L31.1Very low32.1Very low150 Ų150128.4 Ų128.479%0.78573%0.726SS**  trans71.3140.8172.4-50.5-176000115.6
877H33.2Very low32.3Very low154 Ų154130 Ų13071%0.71373%0.727SS**  cis-149.4150.2-7.7-113.7-73.6000104.4
878N34.4Very low32.7Very low117 Ų117132.1 Ų132.163%0.62673%0.733SS**  cis-164.9159.344.8-98.8-21.5000111.3
879D34.1Very low33Very low138 Ų138128.4 Ų128.474%0.73873%0.73SS**  trans36.4135.4142.4-40.1-31.1000121.8
880E33.8Very low33.5Very low151 Ų151128.1 Ų128.171%0.70673%0.731SS**  cis-156.9-151.1-25.3-131.3-110.6103.400104.7F882E880-F882 PolarHBondContact OE1-N 3.43Å
881V34.2Very low33.6Very low108 Ų108129.3 Ų129.366%0.65574%0.736SS**  cis-145.9121.310.158.70000112.5
882F34.8Very low33.8Very low167 Ų167128.9 Ų128.973%0.73273%0.732SS**  trans58.2165.2162.8-79.7-133.4000118.5E880E880-F882 PolarHBondContact OE1-N 3.43Å
883N34.7Very low34Very low123 Ų123130.3 Ų130.366%0.65874%0.735SS**  cis-173.6146.2-41.5-108.5-64.2000104.3
884S36.9Very low34.2Very low82 Ų82127 Ų12757%0.57373%0.726SS**  cis-165.6-158.41.349.70000107
885K37.3Very low34Very low173 Ų173130.1 Ų130.175%0.75273%0.73SS**  cis-169.51489.7-139.2157.9-150.9155.40110.2
886S37.5Very low34Very low104 Ų104130.3 Ų130.373%0.72773%0.726SS**  trans60.9144.8154.355.90000121.7
887R35.1Very low33.9Very low216 Ų216129.7 Ų129.782%0.81572%0.724SS**  cis-166.7144.8-8.4-113.7175.8-174.4-121.8-0.6111.5
888I36.5Very low33.8Very low152 Ų152130.6 Ų130.678%0.77973%0.728SS**  trans65.9139.6148.9-59.4163.6000116.8
889G32.4Very low33.5Very low65 Ų65132.2 Ų132.267%0.6774%0.736SS**  cis-178.8164.9-3.900000112.1
890P39.8Very low33.5Very low122 Ų122130.3 Ų130.379%0.79273%0.732SS**  trans-128.6-153.1-149.442.9-26.5000115.4
891T34.4Very low33.1Very low147 Ų147128.6 Ų128.690%0.90274%0.735SS**  trans87.2143.4-178.172.90000115.8
892G32.8Very low32.7Very low64 Ų64127.8 Ų127.866%0.6674%0.74SS**  cis171.8137.2-14.800000116.4
893V30.8Very low32.4Very low142 Ų142125.6 Ų125.686%0.86174%0.744SS**  trans68.3150.3138.6-173.40000121.2
894S31.4Very low32.2Very low95 Ų95124 Ų12466%0.66475%0.747SS**  trans79.5110.3156.643.80000123.3
895H30.9Very low32Very low178 Ų178125.8 Ų125.882%0.82476%0.755SS**  64.6149.9121.1-75.2-85000124.9
896S28.9Very low31.7Very low89 Ų89125.8 Ų125.862%0.62276%0.759SS**  trans66.1109.9145.850.80000120.8
897D27.9Very low31.5Very low136 Ų136125.1 Ų125.173%0.72776%0.755SS**  73154.2126.8-50.8-37000122.2
898H32.5Very low31.5Very low174 Ų174121.4 Ų121.481%0.80676%0.756SS**  trans61.8106.8163.6-55.5-52.7000119.9
899N26.9Very low31.2Very low150 Ų150116.7 Ų116.780%0.80275%0.745SS**  9.2149.3107.6-128.318.3000117.7
900P34.8Very low31.3Very low99 Ų99122.1 Ų122.164%0.64375%0.753SS**  cis-137.8-163.4-14.840.8-21.6000113.2
901C25.1Very low30.8Very low115 Ų115124.4 Ų124.478%0.77775%0.753SS**  trans64.1119.9146.9-72.60000122.1
902A26.1Very low30.6Very low90 Ų90122.4 Ų122.474%0.74474%0.743SS**  54.6126.4124.900000121.3
903C28.7Very low30.5Very low121 Ų121125 Ų12582%0.81875%0.747SS**  -161127.8107.3-100.40000113.7
904A30.1Very low30.4Very low89 Ų89123.6 Ų123.674%0.73674%0.739SS**  67.7160128.300000118.6
905V31.5Very low30.1Very low120 Ų120126 Ų12673%0.72774%0.743SS**  cis-143.1120.428.2165.80000112.1
906M32.3Very low29.9Very low173 Ų173122.2 Ų122.285%0.85274%0.736SS**  trans60.3156147.5-67.7-176.7158.500119.7
907S32.3Very low29.8Very low90 Ų90126.1 Ų126.163%0.62974%0.744SS**  cis-172.2163.9-12.4-95.10000106.5
908T34.7Very low29.8Very low138 Ų138126.5 Ų126.585%0.84775%0.745SS**  cis-161.9170.6-2.512.60000106.1
909G31.3Very low29.4Very low53 Ų53128.9 Ų128.955%0.54675%0.746SS.*  cis161.3152.6-0.400000109.7
910H33.2Very low29.4Very low180 Ų180126.8 Ų126.883%0.83374%0.744SS**  trans66.3148.5-179.3-52.5-66.2000116
911Q31Very low29.1Very low169 Ų169127.8 Ų127.879%0.7975%0.75SS**  cis-149.8165.2-12.3-118.7-177.6-4.500108.7
912P28.5Very low29.4Very low106 Ų106127.6 Ų127.669%0.68875%0.748SS**  trans-85.1161.5-170.635.9-35.7000113.9
913P31.4Very low29.4Very low117 Ų117132.1 Ų132.176%0.7675%0.753SS**  -124.7126.6113.635.2-30.5000111
914T29.4Very low29.3Very low113 Ų113132.1 Ų132.169%0.69375%0.75SS**  95.3124.174.7-63.30000111.5C916T914-C916 PolarHBondContact O-N 2.81Å
915I25.2Very low29.1Very low145 Ų145135.6 Ų135.674%0.74475%0.754SS**  trans-65.6121175.2-64.4164.2000109.5
916C26.6Very low28.8Very low99 Ų99137 Ų13767%0.66976%0.756SS**  trans-110.486.9172.3-77.20000111T914 I918T914-C916 PolarHBondContact O-N 2.81Å; C916-I918 VanDerWaalsContact C-N 3.33Å; C916-I918 HydrophobicContact CB-CD1 4.2Å; C916-I918 HydrophobicContact CB-CG1 4.2Å; C916-I918 PolarHBondContact O-N 2.9Å
917H25.5Very low28.5Very low171 Ų171140.2 Ų140.279%0.79276%0.759SS**  trans-64.295.3157.4-81-87000109.1
918I28.9Very low28.1Very low145 Ų145144.1 Ų144.174%0.74477%0.767SS**  trans-112.782.2167.7-57.3175.5000105.5C916C916-I918 VanDerWaalsContact C-N 3.33Å; C916-I918 HydrophobicContact CB-CD1 4.2Å; C916-I918 HydrophobicContact CB-CG1 4.2Å; C916-I918 PolarHBondContact O-N 2.9Å
919R24.5Very low27.7Very low223 Ų223144.6 Ų144.684%0.84277%0.769SS**  57.2113.293-77.7-172.4164.7179.3-4111.9
920S25.8Very low27.5Very low106 Ų106146.3 Ų146.374%0.74177%0.773SS**  trans-45.4145.8153.430.90000111.2
921P30Very low27.1Very low120 Ų120148.7 Ų148.778%0.77978%0.776SS**PPolyproline II helixtrans-59141.3167.627.7-33.9000109
922P29.7Very low26.9Very low112 Ų112146.6 Ų146.673%0.72778%0.775SS**PPolyproline II helixtrans-70.1141.3-167.627.6-35.2000112.6
923Q27.5Very low26.8Very low185 Ų185146.1 Ų146.186%0.86477%0.77SS**PPolyproline II helixtrans-67.5150150.7-70.2-178.7-15.400109
924T25.4Very low26.7Very low121 Ų121146.8 Ų146.874%0.74278%0.775SS**  trans66.6135.3-167.677.10000112.3
925I26Very low26.6Very low161 Ų161147.3 Ų147.383%0.82678%0.778SS**  cis-124151.433.8-74.5167000113.3R927I925-R927 PolarHBondContact O-N 2.91Å
926I24.8Very low26.9Very low150 Ų150145.7 Ų145.777%0.76978%0.78SS**  trans-57.3122.8174-60.1153.8000111.4
927R26Very low27Very low240 Ų240146.9 Ų146.991%0.90678%0.783SS**  trans-143.1134.4143.6-81.5-157.3164141.70.8110.2I925I925-R927 PolarHBondContact O-N 2.91Å
928E23.8Very low27Very low173 Ų173145.6 Ų145.681%0.80878%0.781SS**  trans-76133.4-178.4-60.4145.9122.900110.7
929V27.4Very low27.1Very low147 Ų147149.3 Ų149.389%0.89179%0.786SS**  trans-134114154.1-177.80000106.1
930S26.7Very low27.3Very low90 Ų90146.2 Ų146.263%0.62978%0.781SS**  trans-82.2137.8-156.9-49.80000114.1T932S930-T932 PolarHBondContact O-N 2.95Å; S930-T932 VanDerWaalsContact O-N 3.07Å
931Y24.3Very low27.3Very low229 Ų229145.6 Ų145.690%0.89878%0.777SS**  trans-6697.5150.3-87-94.8000108.6V933Y931-V933 VanDerWaalsContact C-N 3.29Å; Y931-V933 PolarHBondContact O-N 3.02Å
932T27.7Very low27.3Very low126 Ų126149 Ų14977%0.77378%0.782SS**  trans-81.577.1172.354.40000110.6S930S930-T932 PolarHBondContact O-N 2.95Å; S930-T932 VanDerWaalsContact O-N 3.07Å
933V25.8Very low27.1Very low96 Ų96154 Ų15458%0.58279%0.788SS**  trans-69128.8158.11780000107.8Y931 T935Y931-V933 VanDerWaalsContact C-N 3.29Å; Y931-V933 PolarHBondContact O-N 3.02Å; V933-T935 HydrophobicContact CG1-CG2 4.06Å; V933-T935 PolarHBondContact O-N 3.24Å
934P30.1Very low27.1Very low131 Ų131155.7 Ų155.785%0.85179%0.788SS**  trans-79.485.7174.731.6-33.3000110.5
935T28.1Very low27.3Very low123 Ų123156.2 Ų156.276%0.75579%0.791SS**  trans-120.2100.1174.626.50000112.8V933V933-T935 HydrophobicContact CG1-CG2 4.06Å; V933-T935 PolarHBondContact O-N 3.24Å
936S29.7Very low27.5Very low112 Ų112154.3 Ų154.378%0.78379%0.79SS**  trans-156.6136.8166.175.70000107.1
937V28.9Very low27.6Very low124 Ų124152 Ų15275%0.75279%0.786SS**  cis-141143.515.5169.10000110.9
938L27Very low27.6Very low143 Ų143143.3 Ų143.375%0.74976%0.762SS**  trans0.7142.7152.7-57.7156.2000117.7
939R29.8Very low27.6Very low223 Ų223139.7 Ų139.784%0.84275%0.745SS**  -165.2149.864.1-79176.8178.6-178-0.9114.2
940H28.4Very low27.5Very low158 Ų158135 Ų13573%0.73172%0.716SS**  trans30.2112.1139.1-59.885.7000119.3
941S26.3Very low27.4Very low94 Ų94137 Ų13766%0.65772%0.716SS**  89.4114.352.373.30000115.3
942Q30.8Very low27.4Very low190 Ų190135.4 Ų135.489%0.88871%0.714SS**  -176.5164.5124.7-100.5169.114.700112
943Y24.9Very low27.3Very low217 Ų217134.4 Ų134.485%0.85171%0.707SS**  trans-68.4144.8-174.4-66.4-105.6000113.2
944Y27.6Very low27.3Very low222 Ų222134.8 Ų134.887%0.87171%0.712SS**  -173.3141.1112.9-116.8-88000111
945T28.7Very low27.3Very low131 Ų131137.3 Ų137.380%0.80471%0.712SS**  trans-91.7139.1166.4490000110.5
946P31.3Very low27.3Very low122 Ų122138.1 Ų138.179%0.79271%0.712SS**  -130.9158.4129.836.8-28.5000112.6
947S27.5Very low27.3Very low100 Ų100138.1 Ų138.170%0.69971%0.709SS**  trans-70.3147.9169.451.30000112.3
948C24.6Very low27.3Very low58 Ų58136.6 Ų136.639%0.39271%0.709SS.*  -179.5170.8125.4-96.20000114.6P730 I732P730-C948 HydrophobicContact CG-CB 4.09Å; I732-C948 HydrophobicContact CD1-CB 4.39Å; I732-C948 VanDerWaalsContact CD1-SG 3.59Å; I732-C948 HydrophobicContact CG1-CB 4.15Å; I732-C948 VanDerWaalsContact CG1-SG 3.52Å
949H25.3Very low27.4Very low98 Ų98137.6 Ų137.645%0.45472%0.716SS.*  trans-55.9-161.9-176.2-140.7-142.9000119.3P730 N731 I732P730-H949 WeakPolarHBondContact CB-O 3.09Å; N731-H949 VanDerWaalsContact C-CB 3.47Å; N731-H949 WeakPolarHBondContact O-CB 3.29Å; N731-H949 PolarHBondContact O-ND1 3.43Å; N731-H949 VanDerWaalsContact O-ND1 3.07Å; I732-H949 HydrophobicContact CB-CB 4.25Å; I732-H949 HydrophobicContact CG1-CB 3.5Å
950V24.7Very low27.3Very low48 Ų48135.3 Ų135.329%0.29171%0.714SS.*  trans85130.7157.3-168.30000116.3Y729 P730 N731Y729-V950 HydrophobicContact CD1-CB 4.38Å; Y729-V950 HydrophobicContact CD1-CG1 3.22Å; Y729-V950 HydrophobicContact CD2-CG1 3.83Å; Y729-V950 HydrophobicContact CE1-CG1 3.45Å; Y729-V950 VanDerWaalsContact CE1-CG1 3.45Å; Y729-V950 HydrophobicContact CE2-CG1 4.05Å; Y729-V950 HydrophobicContact CG-CB 4.19Å; Y729-V950 HydrophobicContact CG-CG1 3.4Å; P730-V950 HydrophobicContact CB-CB 3.72Å; P730-V950 HydrophobicContact CB-CG2 3.65Å; N731-V950 WeakPolarHBondContact O-CG2 3.37Å
951Q24.6Very low27.3Very low133 Ų133132.1 Ų132.162%0.62171%0.71SS**  cis-139.8161.9-7.1-138.4156.841.800111.4Y729Y729-Q951 HydrophobicContact CE1-CB 4.27Å; Y729-Q951 VanDerWaalsContact CE1-OE1 3.24Å; Y729-Q951 HydrophobicContact CE2-CB 4.19Å; Y729-Q951 VanDerWaalsContact CZ-OE1 3.31Å; Y729-Q951 WeakPolarHBondContact OH-CB 3.29Å; Y729-Q951 PolarHBondContact OH-OE1 3.48Å
952F24Very low27.3Very low195 Ų195135.7 Ų135.786%0.85572%0.716SS**  trans-68132.3150.9-93.7-112.5000108.6P954F952-P954 WeakPolarHBondContact O-CD 3.41Å
953V26.1Very low27.2Very low104 Ų104137.7 Ų137.763%0.6372%0.717SS**  trans-97.2110.2163.3177.70000108.1H955V953-H955 PolarHBondContact O-N 3.46Å
954P25.4Very low27.2Very low105 Ų105135.7 Ų135.768%0.68272%0.718SS**  trans-74.5119.216530.8-30000108.4F952 D956F952-P954 WeakPolarHBondContact O-CD 3.41Å; P954-D956 PolarHBondContact O-N 3.3Å
955H30Very low27.3Very low183 Ų183135.2 Ų135.285%0.84772%0.716SS**  trans-80.798.6166.6-108.5-69.8000108.8V953V953-H955 PolarHBondContact O-N 3.46Å
956D26.8Very low27.1Very low141 Ų141134 Ų13475%0.75471%0.713SS**  trans-62.7155.7170.4-103.7-37.3000111.5P954P954-D956 PolarHBondContact O-N 3.3Å
957P30.9Very low27Very low112 Ų112133.9 Ų133.973%0.72772%0.715SS**  trans-82.7159.4-177.434.6-34.7000112.9
958A27.7Very low27.3Very low92 Ų92134.6 Ų134.676%0.7672%0.717SS**  trans70.8104.2172.200000117.5
959D30.1Very low27.7Very low164 Ų164135.7 Ų135.788%0.87773%0.725SS**  -125.3151.4116.6-162.9-3.1000108.3
960H28.6Very low28.3Very low174 Ų174138.3 Ų138.381%0.80674%0.741SS**  trans-136.545.4-151.9-143.5-33.1000114.1
961S26.6Very low28.7Very low92 Ų92139.7 Ų139.764%0.64376%0.758SS**  trans-151.4164.7167.577.20000114.9
962Q27.5Very low29.2Very low169 Ų169136.7 Ų136.779%0.7976%0.756SS**  trans59.565.4161.2-56.4-175.134.300119.3
963Y29.1Very low30Very low231 Ų231133.2 Ų133.291%0.90675%0.745SS**  trans-149.380.7135.6-94.9-64.4000111.5
964M23.6Very low30.3Very low176 Ų176134.8 Ų134.887%0.86775%0.749SS**  trans-86.1106.2165.3-86.3-155.8171.300110.5
965Y29.6Very low30.5Very low212 Ų212134 Ų13483%0.83175%0.746SS**  trans-125.6101154.3-104.6-74.5000110.6S967Y965-S967 PolarHBondContact O-N 2.96Å
966S25.5Very low30.7Very low106 Ų106130.6 Ų130.674%0.74174%0.74SS**  trans-71.7109.5-175.7-500000111.7
967S28.6Very low30.8Very low119 Ų119131.4 Ų131.483%0.83274%0.743SS**PPolyproline II helixtrans-87.2117159.4-78.90000109.4Y965Y965-S967 PolarHBondContact O-N 2.96Å
968P34.1Very low30.8Very low115 Ų115131.8 Ų131.875%0.74774%0.743SS**PPolyproline II helixtrans-69.5151.1-173.527.8-34.8000112.3
969S33.8Very low30.8Very low80 Ų80135.2 Ų135.256%0.55975%0.749SS**PPolyproline II helixtrans-63.7147.4-173.759.70000113.3A971 A972S969-A971 PolarHBondContact O-N 2.97Å; S969-A972 WeakPolarHBondContact O-CB 3.38Å; S969-A972 PolarHBondContact O-N 3.12Å
970L35.8Very low30.9Very low153 Ų153135.5 Ų135.580%0.80175%0.745SS**G310 helixtrans-59-10.3172.3-90.3160.7000114A972L970-A972 VanDerWaalsContact C-N 3.26Å; L970-A972 PolarHBondContact O-N 2.75Å
971A34.4Very low31Very low78 Ų78138 Ų13865%0.64575%0.747SS**G310 helixtrans-68.1-19.4170.300000113.8S969S969-A971 PolarHBondContact O-N 2.97Å
972A35.8Very low31.1Very low69 Ų69140.8 Ų140.857%0.5775%0.754SS**G310 helixtrans-81-12.2-176.700000115S969 L970S969-A972 WeakPolarHBondContact O-CB 3.38Å; S969-A972 PolarHBondContact O-N 3.12Å; L970-A972 VanDerWaalsContact C-N 3.26Å; L970-A972 PolarHBondContact O-N 2.75Å
973I38.9Very low31.3Very low123 Ų123140.7 Ų140.763%0.63175%0.753SS**SBendtrans-102.9-3.7-169.1-63.7176.5000112.8
974L32.8Very low31.4Very low136 Ų136140.8 Ų140.871%0.71275%0.752SS**SBendtrans-124.532.2-179-67176.9000113.8
975S31.2Very low31.6Very low90 Ų90144.2 Ų144.263%0.62976%0.755SS**  trans-129113.2174.4-175.40000112.1
976P32.2Very low31.6Very low110 Ų110141.8 Ų141.871%0.71475%0.753SS**  -125.1149.9129.736-30.4000110.9
977I31Very low31.9Very low158 Ų158142.4 Ų142.481%0.8176%0.755SS**  trans71.4113.8-179-44.9154.3000110.5
978V30.1Very low32Very low120 Ų120144.9 Ų144.973%0.72776%0.757SS**  cis-134.3127.230.5178.20000111.4
979N28.6Very low31.8Very low165 Ų165150 Ų15088%0.88276%0.761SS**  trans-168.584.6146-112.8-26.7000112.5
980Q31.5Very low31.7Very low170 Ų170151.8 Ų151.879%0.79477%0.771SS**  trans-162.5155161.4-116.5-173.136.500110.5
981R31Very low31.5Very low226 Ų226153 Ų15385%0.85377%0.772SS**  trans7460.9174.3-54.6-177.7-175.6-157.7-3.3116.9
982L28.6Very low31.6Very low151 Ų151155 Ų15579%0.79178%0.779SS**  trans-54.1148.3132.9-86.1163.9000110.3
983H31.6Very low31.2Very low167 Ų167157.2 Ų157.277%0.77379%0.789SS**SBendtrans32.3100.2166.7-56.6-70.1000119.5
984R30Very low31Very low233 Ų233163.5 Ų163.588%0.87981%0.805SS**  -175.1109.6108.8-98.9168.9-174-162.51.9111.3
985R27.9Very low30.9Very low248 Ų248160.4 Ų160.494%0.93681%0.806SS**  trans-87.7114.5152.1-79.7-175.8176.4171.60.2107.2
986M30.7Very low30.8Very low161 Ų161163.8 Ų163.879%0.79382%0.816SS**  trans-106.5131.7156.3-86.3-66.7-173.700107.5
987P30.4Very low30.9Very low118 Ų118167.3 Ų167.377%0.76682%0.82SS**  trans-84.2136.8-178.933-32.5000110.8
988I31.8Very low30.8Very low172 Ų172171 Ų17188%0.88282%0.824SS**  trans-118.7131.6161.4-64.1-176.9000108.3
989R29.9Very low30.8Very low223 Ų223173.2 Ų173.284%0.84283%0.826SS**PPolyproline II helixtrans-93.4145.3-165.2-165.7-172.8-152.6171.75.7109.8
990P31.2Very low30.8Very low117 Ų117173.7 Ų173.776%0.7682%0.823SS**PPolyproline II helixtrans-62.9138.5168.127.6-34.2000110.4
991Q33Very low30.7Very low178 Ų178170.8 Ų170.883%0.83282%0.821SS**PPolyproline II helixtrans-81.5139.1172.5-73.5-165.37.600111.6
992P35.3Very low30.6Very low120 Ų120168.5 Ų168.578%0.77982%0.821SS**PPolyproline II helixtrans-94.4134.7161.134.5-28.9000111.3
993C27.4Very low31.1Very low115 Ų115165.5 Ų165.578%0.77781%0.81SS**  trans-93.5111.8176.4-66.50000112
994R33.9Very low30.9Very low255 Ų255166.7 Ų166.796%0.96281%0.813SS**  trans173148160.3-96.1159.3-164.5-148.15.9107.3
995G32.2Very low30.7Very low72 Ų72159.9 Ų159.974%0.74280%0.801SS**  cis16494.7-5.600000112.3
996L29.1Very low30.6Very low160 Ų160153.3 Ų153.384%0.83879%0.789SS**  trans44.9128.2158.8-85.6161.2000121.7
997K32.9Very low30.4Very low185 Ų185156.6 Ų156.680%0.80479%0.792SS**  trans76.7154.2160.3-58.5169.9-178.7173.90115.1
998R29Very low30.4Very low235 Ų235155.2 Ų155.289%0.88779%0.786SS**  cis-148.5163.810.2-149.1174.1-175.4166-2112.6
999Q31Very low30.3Very low166 Ų166151.1 Ų151.178%0.77677%0.772SS**  trans-80.1165.5161.3-82.2-174.2-23.200112.6
1000Q28.4Very low30.3Very low175 Ų175147 Ų14782%0.81877%0.767SS**  trans87.4141.4156.1-76.31732.700121.5
1001S29.5Very low30.2Very low109 Ų109146.1 Ų146.176%0.76276%0.763SS**  trans57.997161.454.10000120.9
1002Q29.3Very low30.1Very low179 Ų179143.2 Ų143.284%0.83676%0.758SS**  20160.3109.1-78.9-150.629.200121
1003P38.4Very low29.8Very low88 Ų88145.4 Ų145.457%0.57176%0.757SS**  cis-138.2-154.8-32.137.5-17000110.7
1004K27.6Very low30.3Very low192 Ų192147.6 Ų147.684%0.83576%0.759SS**  trans72.2155.3175.8-54.5171.2-174.7175.30113.8
1005S25.7Very low30.2Very low90 Ų90139.9 Ų139.963%0.62974%0.742SS**  cis-167.2-175.2-24.553.70000107.6
1006T26.6Very low29.9Very low109 Ų109143 Ų14367%0.66974%0.741SS**  trans66.7117.9155.233.40000115.9
1007R26.9Very low29.8Very low230 Ų230143.6 Ų143.687%0.86874%0.742SS**  62.4134.191.6-75.9-171.1176.5171.2-4.3113
1008S28.6Very low29.4Very low90 Ų90141 Ų14163%0.62973%0.733SS**  cis-171.4-168-1.842.30000108.3
1009S29.9Very low29.3Very low85 Ų85138.8 Ų138.859%0.59472%0.724SS**  trans60.6127.5137.255.10000119.1
1010D30.3Very low29Very low138 Ų138135.4 Ų135.474%0.73872%0.719SS**  cis-165.1142.31.5-114.9-32.3000112.6
1011S29.6Very low28.7Very low98 Ų98133.1 Ų133.169%0.68572%0.717SS**  trans55.4165130.680.60000119.6
1012V30.3Very low28.4Very low117 Ų117132.4 Ų132.471%0.70971%0.712SS**  cis-137.3140.221.8-179.10000112.2
1013H30.2Very low28.2Very low166 Ų166133.7 Ų133.777%0.76971%0.711SS**  trans4896.2162.4-73.4-57.4000123.4
1014I37.9Very low27.5Very low160 Ų160136.3 Ų136.382%0.82172%0.717SS**  -52.5131.4113-57.5159.8000107.8
1015P30.9Very low27.5Very low94 Ų94134.3 Ų134.361%0.6171%0.711SS**  -150.9-172.768.543.5-22.7000114.1
1016L25.2Very low27.5Very low138 Ų138136.5 Ų136.572%0.72371%0.713SS**  cis-125.5162.23-70.4159.6000107.3
1017M27.1Very low27.5Very low171 Ų171136.7 Ų136.784%0.84272%0.716SS**  cis62.9149.245.2-154.1172.4-172.700113.5
1018E25.5Very low27.3Very low132 Ų132134.3 Ų134.362%0.61771%0.708SS**  trans69.1139.2-173.4-50.4-146.1110.200114.4
1019R26.1Very low27.2Very low187 Ų187134.6 Ų134.671%0.70671%0.71SS**  cis-137.9141.5-14-99.4151.5-162.7179.312.4105.3
1020S24.2Very low26.9Very low95 Ų95139.1 Ų139.166%0.66472%0.722SS**  51.4136.578.6-480000113.2
1021T24Very low26.7Very low128 Ų128139.1 Ų139.179%0.78572%0.722SS**  trans42.6125.2143.256.50000118.4
1022S23Very low26.5Very low94 Ų94141.7 Ų141.766%0.65773%0.728SS**  cis170.6175.726.537.20000108.9
1023Y23.6Very low26.1Very low205 Ų205142.1 Ų142.180%0.80474%0.735SS**  trans35.4113.3138.3-78.8-120.9000116.7
1024M25.2Very low25.9Very low144 Ų144137.8 Ų137.871%0.70974%0.735SS**  177.9166.163.1-96.5138.5113.500107.2
1025Q25.9Very low25.2Very low150 Ų150137.5 Ų137.570%0.70174%0.735SS**  cis-150.3142.91.6-131.8148.4-40.200108.6
1026M27.3Very low24.9Very low136 Ų136135.3 Ų135.367%0.6772%0.724SS**  29.5152124.9-54.5-68.3-75.800121.3Y1028M1026-Y1028 HydrophobicContact CE-CD2 3.81Å; M1026-Y1028 HydrophobicContact CE-CE2 3.81Å; M1026-Y1028 HydrophobicContact SD-CD2 4.18Å; M1026-Y1028 HydrophobicContact SD-CE2 3.87Å
1027P26.6Very low25Very low113 Ų113129.8 Ų129.873%0.73470%0.697SS**  cis-125.3165.25.640.7-27.2000115.7
1028Y22.4Very low25Very low179 Ų179124.2 Ų124.270%0.70267%0.673SS**  trans-36.4146.9151.2-57.7-103.7000114.8M1026M1026-Y1028 HydrophobicContact CE-CD2 3.81Å; M1026-Y1028 HydrophobicContact CE-CE2 3.81Å; M1026-Y1028 HydrophobicContact SD-CD2 4.18Å; M1026-Y1028 HydrophobicContact SD-CE2 3.87Å
1029S25.7Very low25.1Very low97 Ų97121.7 Ų121.768%0.67866%0.663SS**  trans-143.185.5131.968.10000110N1031S1029-N1031 PolarHBondContact O-N 3.44Å; S1029-N1031 VanDerWaalsContact O-N 3.12Å
1030E23.4Very low25.2Very low179 Ų179117.3 Ų117.384%0.83665%0.654SS**  trans-66.495.9145.1-72.6177.212500106.2
1031N25.9Very low25.3Very low138 Ų138122 Ų12274%0.73866%0.659SS**  trans-108.793.7171.5-87.111.3000108.9S1029S1029-N1031 PolarHBondContact O-N 3.44Å; S1029-N1031 VanDerWaalsContact O-N 3.12Å
1032D26.5Very low25.5Very low153 Ų153122.1 Ų122.182%0.81865%0.654SS**  trans-53.9161.9143.7-112.8-45.6000110.6
1033C22.2Very low25.6Very low126 Ų126124.5 Ų124.585%0.85166%0.659SS**  trans66.7123177.8-550000116
1034G24.4Very low25.6Very low75 Ų75119.9 Ų119.977%0.77365%0.652SS**  trans-158.6-11.3-17900000118.8
1035L24.3Very low25.6Very low154 Ų154119.4 Ų119.481%0.80665%0.653SS**  trans50.9101.3163.4-68168.8000119.5K762K762-L1035 PolarHBondContact NZ-O 2.91Å
1036A25Very low25.6Very low48 Ų48119.5 Ų119.540%0.39766%0.658SS.*  trans78.3159.9136.200000117.1K762K762-A1036 WeakPolarHBondContact CD-O 3.31Å; K762-A1036 WeakPolarHBondContact CE-O 3.34Å; K762-A1036 PolarHBondContact NZ-O 3.26Å
1037S27.1Very low25.5Very low21 Ų21120.5 Ų120.515%0.14766%0.661CS.*  cis-131.9134.87.780.40000113.3V761 K762V761-S1037 CarbonylContact C-O 3.58Å; V761-S1037 WeakPolarHBondContact CA-O 3.41Å; V761-S1037 WeakPolarHBondContact CB-O 3.11Å; V761-S1037 PolarHBondContact N-O 2.86Å; V761-S1037 CarbonylContact O-C 3.44Å; V761-S1037 PolarHBondContact O-N 3.1Å; K762-S1037 WeakPolarHBondContact CG-OG 3.21Å; K762-S1037 PolarHBondContact N-O 2.59Å
1038T26.7Very low25.5Very low54 Ų54124.8 Ų124.833%0.33167%0.668SS.*  trans-27.5151.413351.90000112.4
1039D27.5Very low25.7Very low79 Ų79123.9 Ų123.942%0.42267%0.674SS.*  -160.9117.285.5-77.5-17.1000104.1
1040D28.2Very low26.1Very low95 Ų95124.6 Ų124.651%0.50868%0.677SS.*  42.7117.255.3-67.2-55.1000109.7
1041Y27.3Very low26.3Very low195 Ų195124.3 Ų124.377%0.76568%0.675SS**  -160.4131.873.8-69.6-82000103.9
1042N27.6Very low26.7Very low129 Ų129122.7 Ų122.769%0.6967%0.672SS**  cis62.2132.427.7-1461.8000112.7
1043L24.9Very low26.7Very low145 Ų145121.9 Ų121.976%0.75967%0.673SS**  trans69142.4-167.8-46.8168.3000113.9
1044T23.9Very low26.9Very low107 Ų107123.3 Ų123.366%0.65667%0.672SS**  cis-158.6172.2-22.69.50000108.1
1045N24.8Very low27Very low135 Ų135132 Ų13272%0.72268%0.681SS**  trans16.2119.1147.3-51.1-2.3000116.5
1046N25.5Very low27.2Very low151 Ų151128.1 Ų128.181%0.80768%0.679SS**  -160.6172.278.5-95.6-38000114.5
1047H26.4Very low27.4Very low158 Ų158132 Ų13273%0.73170%0.701SS**  trans-52.2147.9166-61-110.3000110.3
1048F25.8Very low27.4Very low203 Ų203134.8 Ų134.889%0.8972%0.721SS**  -172.4163.578.1-100.9-82.4000112.6
1049L26.9Very low27.6Very low159 Ų159142.6 Ų142.683%0.83275%0.751SS**  trans-79.8167.7161-65.3164.2000109.6
1050P32.8Very low27.6Very low112 Ų112145.1 Ų145.173%0.72776%0.76SS**  cis-136.9-15410.641.8-21.3000114.3
1051H28.4Very low27.7Very low174 Ų174150.1 Ų150.181%0.80677%0.773SS**  trans-35.1171.1160.6-68.9-69.3000118
1052P33.5Very low27.9Very low104 Ų104146.6 Ų146.668%0.67577%0.772SS**  cis-138.8-1660.421.46.2000115.5
1053T26.4Very low28.2Very low136 Ų136145.8 Ų145.883%0.83477%0.774SS**  trans97.3141.2150.172.20000121
1054N27.9Very low28.4Very low155 Ų155145.3 Ų145.383%0.82978%0.781SS**  trans-75.1143.4172.8-71.5-59.4000111.6
1055R26.6Very low28.6Very low257 Ų257145 Ų14597%0.9778%0.784SS**  -168152.5110-100163-171.2-169.43.6109.5
1056G28.8Very low28.6Very low74 Ų74145.6 Ų145.676%0.76379%0.786SS**  trans-149.3168.4175.200000111.4
1057C27.8Very low28.7Very low128 Ų128145 Ų14587%0.86578%0.783SS**  trans-128.8131161.3-790000106.8
1058S28.6Very low28.8Very low81 Ų81144.2 Ų144.257%0.56679%0.788SS**  cis83.8100.447-178.30000112.4
1059F29.5Very low28.8Very low218 Ų218143 Ų14396%0.95679%0.785SS**  trans-108.9125.2142.8-103-88.5000107.7
1060Q28.5Very low28.8Very low132 Ų132139.8 Ų139.862%0.61778%0.776SS**  trans-84.3171.4170.3-68165.9-26.300108.3
1061Y30.3Very low28.5Very low199 Ų199143.5 Ų143.578%0.7878%0.781SS**  cis-144.2177.326.3-70.4-102.6000109.6
1062T30.5Very low28.3Very low121 Ų121144.7 Ų144.774%0.74278%0.779SS**  cis-149.5141.16.6-22.60000108.9
1063P35Very low28.1Very low112 Ų112150.6 Ų150.673%0.72779%0.79SS**  trans-96.7156.3166.836.7-32.1000112.2
1064C29.4Very low28.1Very low135 Ų135148.9 Ų148.991%0.91278%0.775SS**  trans-150.2150.7154.9-126.60000110
1065S27Very low28.2Very low101 Ų101152.1 Ų152.171%0.70678%0.783SS**  trans-127.1-168.6-164.1-58.40000111.5
1066I25.5Very low28.2Very low148 Ų148147.3 Ų147.376%0.75977%0.771SS**  trans100.8138150-64.2149.5000118.5
1067N26.2Very low28.3Very low139 Ų139149.9 Ų149.974%0.74378%0.778SS**  trans68.9105.4162.5-73.3-8.3000122.2
1068V28.5Very low28.1Very low140 Ų140146.9 Ų146.985%0.84877%0.768SS**  trans-48.8125.1130.8176.50000110.4
1069H26.8Very low28.1Very low177 Ų177150.5 Ų150.582%0.81978%0.78SS**  trans-150.6150.1152.3-130.756.8000113.1
1070S26.2Very low28Very low93 Ų93151 Ų15165%0.6578%0.776SS**  trans-108.1128176.2171.80000109.6
1071K26.5Very low28Very low189 Ų189154.6 Ų154.682%0.82279%0.785SS**  trans172.4142.3134-94.2157.3-175.5178.80113
1072Y25Very low28.2Very low199 Ų199151 Ų15178%0.7879%0.786SS**  trans-0.7138.2146.4-70.5-98.2000119.2
1073Y29.8Very low28Very low229 Ų229151.3 Ų151.390%0.89878%0.783SS**  -153.5148.6102.5-114.5-76.6000112.2
1074D26Very low27.8Very low99 Ų99155.5 Ų155.553%0.52979%0.793SS.*  trans-71.8159.3175.6-81.3-73.2000113.4Q1076D1074-Q1076 HydrophobicContact CB-CG 4.27Å
1075F30.8Very low27.6Very low223 Ų223154.5 Ų154.598%0.97878%0.783SS**  trans-137.2130.9133.2-116.6-82.7000110.3
1076Q25.5Very low27.7Very low156 Ų156160.5 Ų160.573%0.72979%0.791SS**  trans-103.2140.3-163.2-61.4174.9-16.300113.3D1074D1074-Q1076 HydrophobicContact CB-CG 4.27Å
1077S30.4Very low27.9Very low129 Ų129159 Ų15990%0.90279%0.791SS**  trans165.8138.3134.242.80000110.4
1078G25.3Very low28.1Very low64 Ų64159 Ų15966%0.6679%0.791SS**  cis176.1158.6-10.900000111.3
1079L28Very low28.2Very low158 Ų158157.5 Ų157.583%0.82778%0.784SS**  trans70.6141.7177.7-48.8168.8000116
1080R27.6Very low28.4Very low228 Ų228155.5 Ų155.586%0.8678%0.779SS**  cis-163.9133.3-28.5-123.4-179.8-162.9-175.14.9107.8
1081Y28.4Very low28.3Very low207 Ų207161.5 Ų161.581%0.81279%0.789SS**  trans-86168.4164.7-78.4-89000110.6
1082P34.3Very low28.3Very low124 Ų124161.5 Ų161.581%0.80579%0.785SS**  -132.6169.298.538.7-30.5000114.5
1083N26.4Very low28.3Very low127 Ų127156.5 Ų156.568%0.67978%0.777SS**  trans-96.7159179.4-44.5-70000111.7V1085N1083-V1085 HydrophobicContact CB-CG2 4.22Å
1084E30.1Very low28.2Very low201 Ų201155.2 Ų155.294%0.93978%0.776SS**  trans-121.6154.3140.9-73.2-160.3148.600109.6
1085V25.9Very low28.1Very low113 Ų113159 Ų15969%0.68579%0.791SS**  trans-137.5125.2-162.8174.10000110.7N1083N1083-V1085 HydrophobicContact CB-CG2 4.22Å
1086Y29.5Very low27.8Very low228 Ų228152.6 Ų152.689%0.89477%0.773SS**  trans-153159.9158.3-89.5-57000109.8
1087P29.5Very low27.9Very low116 Ų116151.1 Ų151.175%0.75378%0.777SS**  trans-107.9168.4-130.70.323.3000116.6
1088N28.9Very low27.8Very low140 Ų140150.9 Ų150.975%0.74977%0.77SS**  trans-55.2161.5165.3-127.5-15000111.8
1089P32.3Very low27.9Very low108 Ų108153.4 Ų153.470%0.70177%0.773SS**  -146.3-179.45939.2-18.8000117.8
1090L30Very low27.8Very low135 Ų135153.4 Ų153.471%0.70777%0.774SS**  trans79.663.6164.1-51.8-171000118.2Y1092L1090-Y1092 HydrophobicContact CB-CD2 4.46Å; L1090-Y1092 HydrophobicContact CD2-CD2 4.45Å; L1090-Y1092 HydrophobicContact CD2-CE2 4.1Å
1091Y25Very low27.8Very low219 Ų219151 Ų15186%0.85977%0.773SS**  -48.9133.5129.8-114.4-110.3000110.3
1092Y26.3Very low27.7Very low189 Ų189152.5 Ų152.574%0.74178%0.779SS**  trans-136.6123.8158.8-106.7-80.7000109.4L1090L1090-Y1092 HydrophobicContact CB-CD2 4.46Å; L1090-Y1092 HydrophobicContact CD2-CD2 4.45Å; L1090-Y1092 HydrophobicContact CD2-CE2 4.1Å
1093P25Very low27.4Very low94 Ų94154.5 Ų154.561%0.6178%0.781SS**  trans-79.4134.2175.432-32.5000110.4H1095P1093-H1095 VanDerWaalsContact C-N 3.27Å; P1093-H1095 PolarHBondContact O-N 3.18Å
1094F26.6Very low27.4Very low201 Ų201157.7 Ų157.788%0.88279%0.792SS**  trans-79.875.3173.6-109.5-80.2000111.5
1095H24.2Very low27.2Very low180 Ų180160.5 Ų160.583%0.83379%0.794SS**  trans-109.2101.6160.1-91.1-90.8000108.8P1093P1093-H1095 VanDerWaalsContact C-N 3.27Å; P1093-H1095 PolarHBondContact O-N 3.18Å
1096S25.4Very low27.2Very low88 Ų88159.5 Ų159.562%0.61580%0.798SS**  trans-163.7153.8171.7670000109.3
1097P27.6Very low27.1Very low125 Ų125153.2 Ų153.281%0.81279%0.793SS**  -119.7172.8-82.716.93.3000113.1
1098T28.3Very low27Very low123 Ų123153.1 Ų153.176%0.75580%0.795SS**  trans-70.9136.2168.644.90000112.1
1099T26.7Very low27Very low118 Ų118153.8 Ų153.872%0.72480%0.798SS**SBendtrans61.7141.7149.4500000121
1100N26.1Very low26.8Very low158 Ų158155.5 Ų155.585%0.84580%0.801SS**  trans80.4156.7168.3-72.1-18.4000120.1
1101E26.3Very low26.6Very low177 Ų177155.3 Ų155.383%0.82781%0.805SS**  trans63.580.3175.7-56.5-157.915500118.9
1102Y27Very low26.9Very low239 Ų239149.7 Ų149.794%0.93780%0.798SS**  trans-136.439.5148.4-106-80.2000112.8
1103L27.3Very low27Very low165 Ų165145.7 Ų145.786%0.86480%0.798SS**  trans-134.980.7168-81.8177.6000109.9
1104H26.8Very low27.2Very low194 Ų194144.6 Ų144.690%0.89880%0.803SS**  trans179.597.2146.3-101.9-71.7000109.8
1105R25.7Very low27.3Very low261 Ų261141.9 Ų141.999%0.98580%0.798SS**  trans-152.573.3161.1-139.2177.3-152.4157.410.4111.9
1106A26.5Very low27.5Very low92 Ų92139.2 Ų139.276%0.7679%0.79SS**  trans-123.8158.2164.500000108.4
1107A26.8Very low27.7Very low96 Ų96140.4 Ų140.479%0.79379%0.789SS**  trans72.5146.9-175.800000117.2
1108S28.1Very low27.9Very low114 Ų114140.9 Ų140.980%0.79778%0.784SS**  trans63.8119.2171.2-55.70000117
1109L28.1Very low27.8Very low154 Ų154140.3 Ų140.381%0.80678%0.776SS**  cis-132.8174.3-4.9-65.399.9000107.4
1110D29.2Very low27.8Very low143 Ų143144.3 Ų144.377%0.76578%0.778SS**  cis-15817733-135-39.1000114.2
1111V26.4Very low27.8Very low132 Ų132142.4 Ų142.480%0.877%0.768SS**  trans-99.6128.6-161.6179.30000115.5
1112S30.7Very low27.9Very low100 Ų100142.9 Ų142.970%0.69977%0.767SS**  trans-157.6107142.4179.60000108.3
1113S28.2Very low27.9Very low106 Ų106135.9 Ų135.974%0.74176%0.759SS**  61.4120.18099.80000112.7
1114G29.3Very low28.2Very low71 Ų71133.1 Ų133.173%0.73275%0.75SS**  trans172.911.3-168.600000119.3
1115N29Very low28.2Very low143 Ų143132 Ų13277%0.76575%0.745SS**  trans51.4127.5162.1-66.54.1000121.1
1116N27.7Very low28.3Very low125 Ų125127 Ų12767%0.66873%0.733SS**  trans73.6147.3132.3-68.637.9000118.7
1117D30.7Very low28.5Very low112 Ų112130.1 Ų130.160%0.59974%0.736SS**  cis-158.3142.79.6-121.1-20.7000113
1118L30.2Very low28.4Very low136 Ų136133.2 Ų133.271%0.71274%0.739SS**  trans63151.5147-47.8177000120.5
1119L26.6Very low28.3Very low110 Ų110133 Ų13358%0.57674%0.738SS**  cis-170.8160.3-13.6-112.1172.8000112.7
1120W26.8Very low28.4Very low202 Ų202136.7 Ų136.777%0.76574%0.741SS**  trans58.5146.4158.1-56.3120.1000120.7
1121N26Very low28.4Very low118 Ų118136.6 Ų136.663%0.63175%0.745SS**  cis-172.6171-37.4-132.626000114.7
1122K29.5Very low28.5Very low188 Ų188133.5 Ų133.582%0.81774%0.74SS**  trans80.8117.7150.9-78.1175.2177.6-175.90121.1
1123A26.3Very low28.6Very low92 Ų92138.5 Ų138.576%0.7675%0.749SS**  trans-93.3-144.6148.900000108.5
1124P33.1Very low28.7Very low106 Ų106138.9 Ų138.969%0.68875%0.751SS**  cis-141.9177.6345.8-27.8000117.2
1125H28.3Very low28.5Very low170 Ų170141.8 Ų141.879%0.78775%0.749SS**  trans51.8168.7140.3-79.5-129.2000120.3
1126E27.7Very low28.4Very low157 Ų157142.9 Ų142.973%0.73475%0.75SS**  cis-159.2-176.120.1-152.9162.2-127.600113.8
1127L29.5Very low28.7Very low158 Ų158145.3 Ų145.383%0.82776%0.763SS**  trans101.2111.3159.7-63.7176.3000119.6
1128L26Very low28.5Very low160 Ų160148 Ų14884%0.83877%0.772SS**  trans-92.1169.1169.8-45.993.6000111.6
1129S25.9Very low28.3Very low111 Ų111148.6 Ų148.678%0.77678%0.776SS**  168.8151.2117.3-79.50000115.7
1130R30.6Very low28.2Very low231 Ų231147.1 Ų147.187%0.87278%0.78SS**  trans68.2112.6168.1-64.6174.8176.1177.5-2116.4
1131T28.4Very low28.2Very low141 Ų141148.3 Ų148.387%0.86579%0.786SS**  cis81.1119.129.680.70000117.2
1132G28.6Very low28.2Very low67 Ų67151 Ų15169%0.69180%0.799SS**  trans147.9113.1142.200000118.9
1133K32.3Very low28Very low204 Ų204149.8 Ų149.889%0.88780%0.8SS**  trans70.8147150.1-58.6-178.2-179.1-176.40117.7
1134C30.8Very low27.9Very low115 Ų115154 Ų15478%0.77781%0.805SS**  cis-147.5168.8-7.6-114.40000111.4
1135N25.5Very low27.8Very low131 Ų131154.4 Ų154.470%0.70181%0.81SS**  trans-74.4177.2-174.8-62.22.9000115.6
1136E26.8Very low27.7Very low167 Ų167152.4 Ų152.478%0.7881%0.805SS**  trans73.396143.4-78.6148.2-110.800118.4
1137D34Very low27.9Very low176 Ų176149.5 Ų149.594%0.94180%0.799SS**  trans-149.1127.2130.7-108.1-32.8000108.5
1138E25.1Very low27.8Very low169 Ų169145.5 Ų145.579%0.7978%0.783SS**  trans-102.8155.3-179.8-91.5-156.1165.200112.7
1139N25.8Very low28Very low147 Ų147146.7 Ų146.779%0.78678%0.778SS**  trans59.571.5150.9-72.9-50.2000118.3
1140A25.5Very low28.4Very low80 Ų80145.4 Ų145.466%0.66177%0.769SS**  trans-144.5150.415300000113.3
1141Y25.9Very low28.5Very low227 Ų227140.2 Ų140.289%0.8975%0.754SS**  trans6979.7167.9-56.3-69.2000119.9
1142L27.2Very low28.7Very low175 Ų175141.7 Ų141.792%0.91674%0.744SS**  trans-76.8103.4144.8-87.7162.9000110.5
1143L24.8Very low29Very low161 Ų161141.2 Ų141.284%0.84373%0.73SS**  trans-168.2160.5147.2-134.768.6000112.9
1144E25.1Very low29.2Very low182 Ų182138.1 Ų138.185%0.8572%0.717SS**  trans67.3148175.5-52.6-159.114900115.9
1145S30Very low29.3Very low113 Ų113137.8 Ų137.879%0.7971%0.707SS**  cis-127146.115.545.40000113.7
1146N25.9Very low30.5Very low129 Ų129135 Ų13569%0.6969%0.694SS**PPolyproline II helixtrans-87156.1173-80-88.1000110.7
1147P31.5Very low31.6Very low95 Ų95131.3 Ų131.362%0.61768%0.68SS**PPolyproline II helixtrans-59.3142.216128.5-34.5000109.5Y1149P1147-Y1149 PolarHBondContact O-N 3.42Å
1148P28.4Very low32.5Very low75 Ų75127.8 Ų127.849%0.48766%0.658SS.*PPolyproline II helixtrans-63.6135.6-168.825-34.5000111.6S1150 Q1151P1148-S1150 PolarHBondContact O-N 3.07Å; P1148-Q1151 HydrophobicContact CG-CG 4.24Å; P1148-Q1151 PolarHBondContact O-N 2.92Å
1149Y29.2Very low33.8Very low185 Ų185124 Ų12473%0.72564%0.642SS**Hα-helixtrans-53.7-27.8177.9-98.7-102.3000112.8P1147 R1152 S1153P1147-Y1149 PolarHBondContact O-N 3.42Å; Y1149-R1152 PolarHBondContact O-N 3.37Å; Y1149-S1153 PolarHBondContact O-N 3.33Å; Y1149-S1153 PolarHBondContact O-OG 2.69Å
1150S34.1Very low35.3Very low83 Ų83122.8 Ų122.858%0.5863%0.632SS**Hα-helixtrans-55.2-48.6172.1170.30000113.9P1148 R1152 S1153 F1154P1148-S1150 PolarHBondContact O-N 3.07Å; S1150-R1152 PolarHBondContact O-N 2.9Å; S1150-S1153 PolarHBondContact O-N 3.17Å; S1150-S1153 PolarHBondContact O-OG 2.91Å; S1150-F1154 VanDerWaalsContact O-CB 3.3Å; S1150-F1154 WeakPolarHBondContact O-CB 3.38Å; S1150-F1154 PolarHBondContact O-N 3.1Å
1151Q33Very low37.1Very low123 Ų123125.6 Ų125.658%0.57563%0.632SS**Hα-helixtrans-66.5-31.8177.5-78.2-175.6-16.200111.6P1148 L1155P1148-Q1151 HydrophobicContact CG-CG 4.24Å; P1148-Q1151 PolarHBondContact O-N 2.92Å; Q1151-L1155 WeakPolarHBondContact O-CB 3.39Å; Q1151-L1155 VanDerWaalsContact O-CG 3.29Å; Q1151-L1155 WeakPolarHBondContact O-CG 3.42Å; Q1151-L1155 PolarHBondContact O-N 3.08Å; Q1151-L1155 VanDerWaalsContact O-N 3.08Å
1152R33.7Very low38.8Very low172 Ų172120.7 Ų120.765%0.64962%0.617SS**Hα-helixtrans-73.9-37.6178.6-151.6175-163.9162.45.9112Y1149 S1150 T1156Y1149-R1152 PolarHBondContact O-N 3.37Å; S1150-R1152 PolarHBondContact O-N 2.9Å; R1152-T1156 WeakPolarHBondContact O-CG2 3.19Å; R1152-T1156 PolarHBondContact O-N 3.36Å; R1152-T1156 VanDerWaalsContact O-N 3.12Å; R1152-T1156 PolarHBondContact O-OG1 2.87Å; R1152-T1156 VanDerWaalsContact O-OG1 3.11Å
1153S35Very low40.8Very low56 Ų56120.3 Ų120.339%0.39260%0.603SS.*Hα-helixtrans-71.6-40.8174.359.70000112Y1149 S1150 T1156 N1157Y1149-S1153 PolarHBondContact O-N 3.33Å; Y1149-S1153 PolarHBondContact O-OG 2.69Å; S1150-S1153 PolarHBondContact O-N 3.17Å; S1150-S1153 PolarHBondContact O-OG 2.91Å; S1153-T1156 VanDerWaalsContact CA-OG1 3.32Å; S1153-T1156 WeakPolarHBondContact CA-OG1 3.34Å; S1153-T1156 PolarHBondContact O-N 2.84Å; S1153-T1156 PolarHBondContact O-OG1 3.11Å; S1153-N1157 WeakPolarHBondContact O-CB 3.4Å; S1153-N1157 VanDerWaalsContact O-CG 3.24Å; S1153-N1157 PolarHBondContact O-N 3.34Å; S1153-N1157 PolarHBondContact O-OD1 3.28Å
1154F35.4Very low42.9Very low140 Ų140115.6 Ų115.661%0.61459%0.588SS**Hα-helixtrans-58.4-52.2175.4-162-83.5000111.1S1150 T1156 N1157 E1158S1150-F1154 VanDerWaalsContact O-CB 3.3Å; S1150-F1154 WeakPolarHBondContact O-CB 3.38Å; S1150-F1154 PolarHBondContact O-N 3.1Å; F1154-T1156 VanDerWaalsContact C-N 3.28Å; F1154-T1156 PolarHBondContact O-N 3.3Å; F1154-N1157 PolarHBondContact O-N 3.12Å; F1154-N1157 VanDerWaalsContact O-N 3.1Å; F1154-E1158 WeakPolarHBondContact O-CB 3.39Å; F1154-E1158 PolarHBondContact O-N 3.2Å
1155L34.4Very low45.1Very low108 Ų108111.8 Ų111.857%0.56557%0.57SS**Hα-helixtrans-65.1-25.4176.8-71.2170.3000113.7Q1151 L1159Q1151-L1155 WeakPolarHBondContact O-CB 3.39Å; Q1151-L1155 VanDerWaalsContact O-CG 3.29Å; Q1151-L1155 WeakPolarHBondContact O-CG 3.42Å; Q1151-L1155 PolarHBondContact O-N 3.08Å; Q1151-L1155 VanDerWaalsContact O-N 3.08Å; L1155-L1159 WeakPolarHBondContact O-CB 3.43Å; L1155-L1159 PolarHBondContact O-N 2.9Å
1156T50.1Low47Very low71 Ų71113 Ų11344%0.43656%0.561SS.*Hα-helixtrans-79.1-32.2170.649.90000113.3R1152 S1153 F1154 Q1160R1152-T1156 WeakPolarHBondContact O-CG2 3.19Å; R1152-T1156 PolarHBondContact O-N 3.36Å; R1152-T1156 VanDerWaalsContact O-N 3.12Å; R1152-T1156 PolarHBondContact O-OG1 2.87Å; R1152-T1156 VanDerWaalsContact O-OG1 3.11Å; S1153-T1156 VanDerWaalsContact CA-OG1 3.32Å; S1153-T1156 WeakPolarHBondContact CA-OG1 3.34Å; S1153-T1156 PolarHBondContact O-N 2.84Å; S1153-T1156 PolarHBondContact O-OG1 3.11Å; F1154-T1156 VanDerWaalsContact C-N 3.28Å; F1154-T1156 PolarHBondContact O-N 3.3Å; T1156-Q1160 WeakPolarHBondContact O-CB 3.3Å; T1156-Q1160 VanDerWaalsContact O-CG 3.31Å; T1156-Q1160 WeakPolarHBondContact O-CG 3.32Å; T1156-Q1160 PolarHBondContact O-N 3.04Å
1157N49.2Very low49.1Very low91 Ų91109.1 Ų109.149%0.48755%0.547SS..Hα-helixtrans-70.8-51.4177.4-72.43000110.4S1153 F1154 L1159 Q1160 E1161S1153-N1157 WeakPolarHBondContact O-CB 3.4Å; S1153-N1157 VanDerWaalsContact O-CG 3.24Å; S1153-N1157 PolarHBondContact O-N 3.34Å; S1153-N1157 PolarHBondContact O-OD1 3.28Å; F1154-N1157 PolarHBondContact O-N 3.12Å; F1154-N1157 VanDerWaalsContact O-N 3.1Å; N1157-L1159 VanDerWaalsContact C-N 3.26Å; N1157-L1159 PolarHBondContact O-N 3.07Å; N1157-Q1160 CarbonylContact O-C 3.55Å; N1157-Q1160 WeakPolarHBondContact O-CA 3.41Å; N1157-Q1160 WeakPolarHBondContact O-CB 3.45Å; N1157-Q1160 PolarHBondContact O-N 3.19Å; N1157-E1161 PolarHBondContact O-N 2.61Å
1158E52.3Low51.3Low101 Ų101110.2 Ų110.247%0.47254%0.542SS..Hα-helixtrans-54.2-43.6174.4-173.7178.3-157.500111.1F1154 Q1160 E1161 E1162F1154-E1158 WeakPolarHBondContact O-CB 3.39Å; F1154-E1158 PolarHBondContact O-N 3.2Å; E1158-Q1160 VanDerWaalsContact C-N 3.32Å; E1158-Q1160 PolarHBondContact O-N 2.85Å; E1158-E1161 PolarHBondContact O-N 2.89Å; E1158-E1162 WeakPolarHBondContact O-CB 3.43Å; E1158-E1162 PolarHBondContact O-N 3.47Å
1159L53.6Low53.6Low89 Ų89110.8 Ų110.847%0.46654%0.54SS..Hα-helixtrans-77.9-10.7176.9-163.6136.2000114L1155 N1157 R1163L1155-L1159 WeakPolarHBondContact O-CB 3.43Å; L1155-L1159 PolarHBondContact O-N 2.9Å; N1157-L1159 VanDerWaalsContact C-N 3.26Å; N1157-L1159 PolarHBondContact O-N 3.07Å; L1159-R1163 VanDerWaalsContact O-CD 3.22Å; L1159-R1163 WeakPolarHBondContact O-CD 3.32Å; L1159-R1163 WeakPolarHBondContact O-CG 3.37Å
1160Q56.5Low55.6Low123 Ų123107.5 Ų107.558%0.57553%0.532SS*.Hα-helixtrans-86.5-37.6165.6-85.7-175.5-113.100111.7T1156 N1157 E1158 R1163 A1164T1156-Q1160 WeakPolarHBondContact O-CB 3.3Å; T1156-Q1160 VanDerWaalsContact O-CG 3.31Å; T1156-Q1160 WeakPolarHBondContact O-CG 3.32Å; T1156-Q1160 PolarHBondContact O-N 3.04Å; N1157-Q1160 CarbonylContact O-C 3.55Å; N1157-Q1160 WeakPolarHBondContact O-CA 3.41Å; N1157-Q1160 WeakPolarHBondContact O-CB 3.45Å; N1157-Q1160 PolarHBondContact O-N 3.19Å; E1158-Q1160 VanDerWaalsContact C-N 3.32Å; E1158-Q1160 PolarHBondContact O-N 2.85Å; Q1160-R1163 PolarHBondContact O-N 3.33Å; Q1160-A1164 WeakPolarHBondContact O-CB 3.35Å; Q1160-A1164 PolarHBondContact O-N 3.01Å
1161E63.5Low57.6Low138 Ų138108.1 Ų108.165%0.64553%0.532SS*.Hα-helixtrans-66.3-46.6175.3-72.2179.5-178.800111N1157 E1158 R1163 A1164 H1165N1157-E1161 PolarHBondContact O-N 2.61Å; E1158-E1161 PolarHBondContact O-N 2.89Å; E1161-R1163 VanDerWaalsContact C-N 3.27Å; E1161-R1163 PolarHBondContact O-N 3.47Å; E1161-A1164 PolarHBondContact O-N 3.43Å; E1161-A1164 VanDerWaalsContact O-N 3.12Å; E1161-H1165 VanDerWaalsContact O-CB 3.31Å; E1161-H1165 WeakPolarHBondContact O-CB 3.45Å; E1161-H1165 PolarHBondContact O-N 3.01Å
1162E62.2Low59.6Low125 Ų125106.1 Ų106.158%0.58452%0.523SS*.Hα-helixtrans-54.8-41.9170.2-91.3-72.6105.600112E1158 F1166E1158-E1162 WeakPolarHBondContact O-CB 3.43Å; E1158-E1162 PolarHBondContact O-N 3.47Å; E1162-F1166 VanDerWaalsContact O-CB 3.28Å; E1162-F1166 WeakPolarHBondContact O-CB 3.25Å; E1162-F1166 PolarHBondContact O-N 2.87Å
1163R69.4Low61.4Low167 Ų167104.2 Ų104.263%0.6352%0.519SS*.Hα-helixtrans-68.4-38.8176.3-78.5173.9177.51660.6112.9L1159 Q1160 E1161 A1167L1159-R1163 VanDerWaalsContact O-CD 3.22Å; L1159-R1163 WeakPolarHBondContact O-CD 3.32Å; L1159-R1163 WeakPolarHBondContact O-CG 3.37Å; Q1160-R1163 PolarHBondContact O-N 3.33Å; E1161-R1163 VanDerWaalsContact C-N 3.27Å; E1161-R1163 PolarHBondContact O-N 3.47Å; R1163-A1167 VanDerWaalsContact O-CB 3.31Å; R1163-A1167 WeakPolarHBondContact O-CB 3.24Å; R1163-A1167 PolarHBondContact O-N 3.11Å
1164A69.3Low63.3Low62 Ų62104.4 Ų104.451%0.51252%0.521SS..Hα-helixtrans-68-42.5176.900000111.1Q1160 E1161 A1167 F1168Q1160-A1164 WeakPolarHBondContact O-CB 3.35Å; Q1160-A1164 PolarHBondContact O-N 3.01Å; E1161-A1164 PolarHBondContact O-N 3.43Å; E1161-A1164 VanDerWaalsContact O-N 3.12Å; A1164-A1167 PolarHBondContact O-N 3.27Å; A1164-F1168 WeakPolarHBondContact O-CB 3.36Å; A1164-F1168 PolarHBondContact O-N 3Å
1165H69.8Low65.2Low102 Ų102105.8 Ų105.847%0.47252%0.522SS..Hα-helixtrans-63.3-44.6174.6-175.4-140.4000111.4E1161 A1167 F1168 L1169E1161-H1165 VanDerWaalsContact O-CB 3.31Å; E1161-H1165 WeakPolarHBondContact O-CB 3.45Å; E1161-H1165 PolarHBondContact O-N 3.01Å; H1165-A1167 PolarHBondContact O-N 3.03Å; H1165-F1168 PolarHBondContact O-N 3.09Å; H1165-L1169 WeakPolarHBondContact O-CB 3.46Å; H1165-L1169 WeakPolarHBondContact O-CG 3.27Å; H1165-L1169 PolarHBondContact O-N 3.47Å
1166F69.7Low67.2Low139 Ų139106.1 Ų106.161%0.6152%0.521SS*.Hα-helixtrans-62.6-42.2174.3-164.5-84.3000112.2E1162 L1169 Q1170E1162-F1166 VanDerWaalsContact O-CB 3.28Å; E1162-F1166 WeakPolarHBondContact O-CB 3.25Å; E1162-F1166 PolarHBondContact O-N 2.87Å; F1166-L1169 PolarHBondContact O-N 3.09Å; F1166-Q1170 VanDerWaalsContact O-CB 3.3Å; F1166-Q1170 WeakPolarHBondContact O-CB 3.49Å; F1166-Q1170 PolarHBondContact O-N 3.47Å
1167A70.4Confident68.5Low47 Ų47107.6 Ų107.639%0.38853%0.525SS..Hα-helixtrans-64.9-37.9175.700000112.4R1163 A1164 H1165 T1171R1163-A1167 VanDerWaalsContact O-CB 3.31Å; R1163-A1167 WeakPolarHBondContact O-CB 3.24Å; R1163-A1167 PolarHBondContact O-N 3.11Å; A1164-A1167 PolarHBondContact O-N 3.27Å; H1165-A1167 PolarHBondContact O-N 3.03Å; A1167-T1171 WeakPolarHBondContact O-CB 3.38Å; A1167-T1171 PolarHBondContact O-N 3.4Å; A1167-T1171 PolarHBondContact O-OG1 3.03Å
1168F77.2Confident69.8Low118 Ų118107.6 Ų107.652%0.51853%0.531SS..Hα-helixtrans-64-48173177-97.5000111.5A1164 H1165 Q1170 T1171 Q1172A1164-F1168 WeakPolarHBondContact O-CB 3.36Å; A1164-F1168 PolarHBondContact O-N 3Å; H1165-F1168 PolarHBondContact O-N 3.09Å; F1168-Q1170 PolarHBondContact O-N 2.9Å; F1168-T1171 WeakPolarHBondContact O-CB 3.3Å; F1168-T1171 PolarHBondContact O-N 3.27Å; F1168-T1171 VanDerWaalsContact O-N 3.15Å; F1168-Q1172 HydrophobicContact CD1-CG 4.18Å; F1168-Q1172 HydrophobicContact CE1-CG 3.81Å; F1168-Q1172 HydrophobicContact CE2-CG 4.35Å; F1168-Q1172 HydrophobicContact CZ-CG 3.91Å; F1168-Q1172 VanDerWaalsContact CZ-NE2 3.31Å; F1168-Q1172 WeakPolarHBondContact O-CG 3.31Å; F1168-Q1172 PolarHBondContact O-N 3.06Å
1169L77.1Confident70.8Confident86 Ų86106.8 Ų106.845%0.4553%0.53SS..Hα-helixtrans-61.4-42.9176.4-71.4172.1000112H1165 F1166 T1171 Q1172 F1173H1165-L1169 WeakPolarHBondContact O-CB 3.46Å; H1165-L1169 WeakPolarHBondContact O-CG 3.27Å; H1165-L1169 PolarHBondContact O-N 3.47Å; F1166-L1169 PolarHBondContact O-N 3.09Å; L1169-T1171 VanDerWaalsContact C-N 3.29Å; L1169-T1171 PolarHBondContact O-N 2.98Å; L1169-Q1172 PolarHBondContact O-N 3.49Å; L1169-F1173 WeakPolarHBondContact O-CB 3.42Å; L1169-F1173 PolarHBondContact O-N 3.15Å
1170Q72.2Confident72Confident117 Ų117106.2 Ų106.255%0.54753%0.53SS..Hα-helixtrans-61.2-38.4174.2-176.1177.1-3.500111.7F1166 F1168 S1174F1166-Q1170 VanDerWaalsContact O-CB 3.3Å; F1166-Q1170 WeakPolarHBondContact O-CB 3.49Å; F1166-Q1170 PolarHBondContact O-N 3.47Å; F1168-Q1170 PolarHBondContact O-N 2.9Å; Q1170-S1174 VanDerWaalsContact O-CB 3.29Å; Q1170-S1174 WeakPolarHBondContact O-CB 3.48Å; Q1170-S1174 PolarHBondContact O-N 3.38Å; Q1170-S1174 PolarHBondContact O-OG 2.9Å
1171T75.9Confident72.6Confident95 Ų95108.7 Ų108.758%0.58353%0.534SS*.Hα-helixtrans-69-44.6176.7-57.60000111.5A1167 F1168 L1169 S1174 R1175A1167-T1171 WeakPolarHBondContact O-CB 3.38Å; A1167-T1171 PolarHBondContact O-N 3.4Å; A1167-T1171 PolarHBondContact O-OG1 3.03Å; F1168-T1171 WeakPolarHBondContact O-CB 3.3Å; F1168-T1171 PolarHBondContact O-N 3.27Å; F1168-T1171 VanDerWaalsContact O-N 3.15Å; L1169-T1171 VanDerWaalsContact C-N 3.29Å; L1169-T1171 PolarHBondContact O-N 2.98Å; T1171-S1174 PolarHBondContact O-N 3.28Å; T1171-R1175 WeakPolarHBondContact O-CB 3.3Å; T1171-R1175 PolarHBondContact O-N 3.3Å
1172Q74.5Confident73.1Confident81 Ų81103.9 Ų103.938%0.37952%0.522SS..Hα-helixtrans-59.9-47.1174.6-73.2-69.3-7.500111.8F1168 L1169 S1174 R1175 Q1176F1168-Q1172 HydrophobicContact CD1-CG 4.18Å; F1168-Q1172 HydrophobicContact CE1-CG 3.81Å; F1168-Q1172 HydrophobicContact CE2-CG 4.35Å; F1168-Q1172 HydrophobicContact CZ-CG 3.91Å; F1168-Q1172 VanDerWaalsContact CZ-NE2 3.31Å; F1168-Q1172 WeakPolarHBondContact O-CG 3.31Å; F1168-Q1172 PolarHBondContact O-N 3.06Å; L1169-Q1172 PolarHBondContact O-N 3.49Å; Q1172-S1174 PolarHBondContact O-N 3.47Å; Q1172-R1175 PolarHBondContact O-N 3.45Å; Q1172-Q1176 WeakPolarHBondContact O-CG 3.37Å; Q1172-Q1176 PolarHBondContact O-N 2.85Å
1173F72.2Confident73.4Confident132 Ų132106.6 Ų106.658%0.57953%0.529SS*.Hα-helixtrans-65.5-40179.3-159.8-100.1000111.9L1169 R1175 Q1176 L1177L1169-F1173 WeakPolarHBondContact O-CB 3.42Å; L1169-F1173 PolarHBondContact O-N 3.15Å; F1173-R1175 VanDerWaalsContact C-N 3.34Å; F1173-R1175 PolarHBondContact O-N 3.43Å; F1173-Q1176 PolarHBondContact O-N 2.83Å; F1173-L1177 HydrophobicContact CD1-CD1 3.82Å; F1173-L1177 HydrophobicContact CD1-CG 4.32Å; F1173-L1177 HydrophobicContact CE1-CD1 3.79Å; F1173-L1177 HydrophobicContact CE1-CG 4.27Å; F1173-L1177 WeakPolarHBondContact O-CG 3.37Å; F1173-L1177 PolarHBondContact O-N 2.9Å
1174S75.1Confident73.4Confident60 Ų60103.7 Ų103.742%0.4253%0.525SS..Hα-helixtrans-62.9-40.3173.6-58.40000111.8Q1170 T1171 Q1172 L1177 C1178Q1170-S1174 VanDerWaalsContact O-CB 3.29Å; Q1170-S1174 WeakPolarHBondContact O-CB 3.48Å; Q1170-S1174 PolarHBondContact O-N 3.38Å; Q1170-S1174 PolarHBondContact O-OG 2.9Å; T1171-S1174 PolarHBondContact O-N 3.28Å; Q1172-S1174 PolarHBondContact O-N 3.47Å; S1174-L1177 PolarHBondContact O-N 3.41Å; S1174-C1178 PolarHBondContact O-N 2.84Å; S1174-C1178 PolarHBondContact O-SG 3.48Å; S1174-C1178 VanDerWaalsContact O-SG 3.41Å
1175R75.6Confident73.3Confident169 Ų169107.8 Ų107.864%0.63853%0.531SS*.Hα-helixtrans-65.8-47.5176.4-168.3172-173.9159.82.6111.6T1171 Q1172 F1173 L1177 C1178 D1179T1171-R1175 WeakPolarHBondContact O-CB 3.3Å; T1171-R1175 PolarHBondContact O-N 3.3Å; Q1172-R1175 PolarHBondContact O-N 3.45Å; F1173-R1175 VanDerWaalsContact C-N 3.34Å; F1173-R1175 PolarHBondContact O-N 3.43Å; R1175-L1177 VanDerWaalsContact C-N 3.3Å; R1175-L1177 PolarHBondContact O-N 2.95Å; R1175-C1178 WeakPolarHBondContact O-CB 3.07Å; R1175-C1178 PolarHBondContact O-N 3.45Å; R1175-C1178 VanDerWaalsContact O-N 3.14Å; R1175-D1179 WeakPolarHBondContact O-CB 3.15Å; R1175-D1179 VanDerWaalsContact O-CG 3.28Å; R1175-D1179 PolarHBondContact O-N 3.18Å
1176Q76.3Confident73.2Confident116 Ų116105.2 Ų105.254%0.54253%0.528SS..Hα-helixtrans-57.8-39.5174.2-74.6-175.6-10.100112.7Q1172 F1173 T1180Q1172-Q1176 WeakPolarHBondContact O-CG 3.37Å; Q1172-Q1176 PolarHBondContact O-N 2.85Å; F1173-Q1176 PolarHBondContact O-N 2.83Å; Q1176-T1180 VanDerWaalsContact O-CB 3.25Å; Q1176-T1180 WeakPolarHBondContact O-CB 3.46Å; Q1176-T1180 PolarHBondContact O-N 3.29Å; Q1176-T1180 PolarHBondContact O-OG1 3.34Å
1177L76.6Confident73Confident102 Ų102101.3 Ų101.353%0.53452%0.521SS..Hα-helixtrans-66-44.1174.6-74.9173.5000112.1F1173 S1174 R1175 T1180 W1181F1173-L1177 HydrophobicContact CD1-CD1 3.82Å; F1173-L1177 HydrophobicContact CD1-CG 4.32Å; F1173-L1177 HydrophobicContact CE1-CD1 3.79Å; F1173-L1177 HydrophobicContact CE1-CG 4.27Å; F1173-L1177 WeakPolarHBondContact O-CG 3.37Å; F1173-L1177 PolarHBondContact O-N 2.9Å; S1174-L1177 PolarHBondContact O-N 3.41Å; R1175-L1177 VanDerWaalsContact C-N 3.3Å; R1175-L1177 PolarHBondContact O-N 2.95Å; L1177-T1180 PolarHBondContact O-N 3.45Å; L1177-W1181 VanDerWaalsContact O-CB 3.26Å; L1177-W1181 WeakPolarHBondContact O-CB 3.49Å; L1177-W1181 PolarHBondContact O-N 2.8Å
1178C76.6Confident72.2Confident90 Ų90108.5 Ų108.561%0.60854%0.538SS*.Hα-helixtrans-61.2-45.6174.9-76.50000112.2S1174 R1175 W1181 G1182S1174-C1178 PolarHBondContact O-N 2.84Å; S1174-C1178 PolarHBondContact O-SG 3.48Å; S1174-C1178 VanDerWaalsContact O-SG 3.41Å; R1175-C1178 WeakPolarHBondContact O-CB 3.07Å; R1175-C1178 PolarHBondContact O-N 3.45Å; R1175-C1178 VanDerWaalsContact O-N 3.14Å; C1178-W1181 PolarHBondContact O-N 3.49Å; C1178-G1182 PolarHBondContact O-N 2.99Å
1179D73.9Confident70.8Confident84 Ų84104.2 Ų104.245%0.44953%0.527SS..Hα-helixtrans-64.4-45178.3-66.1-26.9000110.6R1175 W1181 G1182 Y1183R1175-D1179 WeakPolarHBondContact O-CB 3.15Å; R1175-D1179 VanDerWaalsContact O-CG 3.28Å; R1175-D1179 PolarHBondContact O-N 3.18Å; D1179-W1181 VanDerWaalsContact C-N 3.35Å; D1179-W1181 PolarHBondContact O-N 3.11Å; D1179-G1182 CarbonylContact O-C 3.56Å; D1179-G1182 WeakPolarHBondContact O-CA 3.26Å; D1179-G1182 PolarHBondContact O-N 3.22Å; D1179-G1182 VanDerWaalsContact O-N 3.14Å; D1179-Y1183 VanDerWaalsContact O-CD2 3.23Å; D1179-Y1183 WeakPolarHBondContact O-CD2 3.21Å; D1179-Y1183 PolarHBondContact O-N 3.24Å
1180T78.4Confident69.5Low77 Ų77106.2 Ų106.247%0.47253%0.534SS..Hα-helixtrans-62.3-40.4176.2-56.20000111.9Q1176 L1177 G1182 Y1183 L1184Q1176-T1180 VanDerWaalsContact O-CB 3.25Å; Q1176-T1180 WeakPolarHBondContact O-CB 3.46Å; Q1176-T1180 PolarHBondContact O-N 3.29Å; Q1176-T1180 PolarHBondContact O-OG1 3.34Å; L1177-T1180 PolarHBondContact O-N 3.45Å; T1180-G1182 VanDerWaalsContact C-N 3.34Å; T1180-Y1183 PolarHBondContact O-N 3.47Å; T1180-L1184 HydrophobicContact CG2-CD1 4.24Å; T1180-L1184 WeakPolarHBondContact O-CB 3.27Å; T1180-L1184 WeakPolarHBondContact O-CG 3.34Å; T1180-L1184 PolarHBondContact O-N 3.07Å
1181W68.3Low68.2Low175 Ų175107.3 Ų107.366%0.66354%0.539SS*.Hα-helixtrans-68.4-34174.6-168.8-87.6000112.1L1177 C1178 D1179 L1184 K1185L1177-W1181 VanDerWaalsContact O-CB 3.26Å; L1177-W1181 WeakPolarHBondContact O-CB 3.49Å; L1177-W1181 PolarHBondContact O-N 2.8Å; C1178-W1181 PolarHBondContact O-N 3.49Å; D1179-W1181 VanDerWaalsContact C-N 3.35Å; D1179-W1181 PolarHBondContact O-N 3.11Å; W1181-L1184 PolarHBondContact O-N 2.74Å; W1181-K1185 WeakPolarHBondContact O-CB 3.4Å; W1181-K1185 PolarHBondContact O-N 3.02Å
1182G74Confident66.4Low38 Ų38107 Ų10739%0.39254%0.537SS..Hα-helixtrans-61.1-50.517000000112C1178 D1179 T1180 L1184 K1185 A1186C1178-G1182 PolarHBondContact O-N 2.99Å; D1179-G1182 CarbonylContact O-C 3.56Å; D1179-G1182 WeakPolarHBondContact O-CA 3.26Å; D1179-G1182 PolarHBondContact O-N 3.22Å; D1179-G1182 VanDerWaalsContact O-N 3.14Å; T1180-G1182 VanDerWaalsContact C-N 3.34Å; G1182-L1184 PolarHBondContact O-N 3.22Å; G1182-K1185 PolarHBondContact O-N 3.04Å; G1182-A1186 WeakPolarHBondContact O-CB 3.2Å; G1182-A1186 PolarHBondContact O-N 2.86Å
1183Y69.5Low64.8Low182 Ų182108.8 Ų108.871%0.71455%0.549SS*.Hα-helixtrans-60.1-41.7173.9-81.7-69.9000112.5D1179 T1180 A1186 A1187D1179-Y1183 VanDerWaalsContact O-CD2 3.23Å; D1179-Y1183 WeakPolarHBondContact O-CD2 3.21Å; D1179-Y1183 PolarHBondContact O-N 3.24Å; T1180-Y1183 PolarHBondContact O-N 3.47Å; Y1183-A1186 PolarHBondContact O-N 3.34Å; Y1183-A1187 VanDerWaalsContact O-CB 3.26Å; Y1183-A1187 WeakPolarHBondContact O-CB 3.47Å; Y1183-A1187 PolarHBondContact O-N 3.21Å
1184L67.9Low63.1Low105 Ų105109.9 Ų109.955%0.5555%0.554SS.*Hα-helixtrans-66.1-38.3176.1-76.5167000112.7T1180 W1181 G1182 R1188T1180-L1184 HydrophobicContact CG2-CD1 4.24Å; T1180-L1184 WeakPolarHBondContact O-CB 3.27Å; T1180-L1184 WeakPolarHBondContact O-CG 3.34Å; T1180-L1184 PolarHBondContact O-N 3.07Å; W1181-L1184 PolarHBondContact O-N 2.74Å; G1182-L1184 PolarHBondContact O-N 3.22Å; L1184-R1188 PolarHBondContact O-N 2.91Å; L1184-R1188 VanDerWaalsContact O-N 3.07Å
1185K67.9Low61.2Low148 Ų148113.9 Ų113.964%0.64357%0.57SS**Hα-helixtrans-64.5-46.3171.3-91-174.3160.5-175.10111.7W1181 G1182 R1188 G1189W1181-K1185 WeakPolarHBondContact O-CB 3.4Å; W1181-K1185 PolarHBondContact O-N 3.02Å; G1182-K1185 PolarHBondContact O-N 3.04Å; K1185-R1188 PolarHBondContact O-N 3.33Å; K1185-G1189 PolarHBondContact O-N 2.83Å
1186A68.3Low59.1Low49 Ų49110.1 Ų110.141%0.40557%0.568SS.*Hα-helixtrans-63.9-40.917900000112G1182 Y1183 G1189 Q1190G1182-A1186 WeakPolarHBondContact O-CB 3.2Å; G1182-A1186 PolarHBondContact O-N 2.86Å; Y1183-A1186 PolarHBondContact O-N 3.34Å; A1186-G1189 PolarHBondContact O-N 3.32Å; A1186-Q1190 WeakPolarHBondContact O-CB 3.35Å; A1186-Q1190 WeakPolarHBondContact O-CG 3.49Å; A1186-Q1190 PolarHBondContact O-N 2.83Å
1187A64.8Low57.2Low56 Ų56111.4 Ų111.446%0.46358%0.579SS.*Hα-helixtrans-65.2-38.5175.600000112.5Y1183 Q1191Y1183-A1187 VanDerWaalsContact O-CB 3.26Å; Y1183-A1187 WeakPolarHBondContact O-CB 3.47Å; Y1183-A1187 PolarHBondContact O-N 3.21Å; A1187-Q1191 PolarHBondContact O-N 3.15Å
1188R53.7Low55.2Low198 Ų198114.6 Ų114.675%0.74760%0.596SS**Hα-helixtrans-67.2-44.7171.5-91.2-175.3163.3178.4-4.8112.4L1184 K1185 Q1191 V1192L1184-R1188 PolarHBondContact O-N 2.91Å; L1184-R1188 VanDerWaalsContact O-N 3.07Å; K1185-R1188 PolarHBondContact O-N 3.33Å; R1188-Q1191 PolarHBondContact O-N 2.71Å; R1188-V1192 WeakPolarHBondContact O-CG2 3.47Å; R1188-V1192 PolarHBondContact O-N 2.88Å; R1188-V1192 VanDerWaalsContact O-N 3.1Å
1189G48.4Very low53.1Low28 Ų28114.9 Ų114.929%0.28960%0.604SS.*Hα-helixtrans-57-51.8175.900000111.9K1185 A1186 Q1191 V1192 D1193K1185-G1189 PolarHBondContact O-N 2.83Å; A1186-G1189 PolarHBondContact O-N 3.32Å; G1189-Q1191 PolarHBondContact O-N 3.33Å; G1189-Q1191 VanDerWaalsContact O-N 3.1Å; G1189-V1192 PolarHBondContact O-N 2.87Å; G1189-D1193 PolarHBondContact O-N 3.13Å
1190Q50.6Low51Low128 Ų128116.4 Ų116.460%0.59862%0.617SS**Hα-helixtrans-69.2-6.5179.2-67.6-172.28.300115.3A1186A1186-Q1190 WeakPolarHBondContact O-CB 3.35Å; A1186-Q1190 WeakPolarHBondContact O-CG 3.49Å; A1186-Q1190 PolarHBondContact O-N 2.83Å
1191Q43.4Very low48.9Very low141 Ų141121.8 Ų121.866%0.65964%0.636SS**Hα-helixtrans-91.3-32.6164.6-81.9-165.2-34.200112.8A1187 R1188 G1189A1187-Q1191 PolarHBondContact O-N 3.15Å; R1188-Q1191 PolarHBondContact O-N 2.71Å; G1189-Q1191 PolarHBondContact O-N 3.33Å; G1189-Q1191 VanDerWaalsContact O-N 3.1Å
1192V39.1Very low47.2Very low89 Ų89116.6 Ų116.654%0.53964%0.637SS.*Hα-helixtrans-70-47.8175.21740000110.2R1188 G1189 K1194 L1195 C1196R1188-V1192 WeakPolarHBondContact O-CG2 3.47Å; R1188-V1192 PolarHBondContact O-N 2.88Å; R1188-V1192 VanDerWaalsContact O-N 3.1Å; G1189-V1192 PolarHBondContact O-N 2.87Å; V1192-K1194 PolarHBondContact O-N 3.21Å; V1192-L1195 PolarHBondContact O-N 3.42Å; V1192-L1195 VanDerWaalsContact O-N 3.11Å; V1192-C1196 PolarHBondContact O-SG 3.38Å
1193D39.3Very low45.1Very low118 Ų118122.7 Ų122.763%0.63166%0.659SS**THydrogen-bonded Turntrans-71.714.9179.7-55.9-32.9000114.1G1189G1189-D1193 PolarHBondContact O-N 3.13Å
1194K38.6Very low43.3Very low154 Ų154117.4 Ų117.467%0.6766%0.659SS**THydrogen-bonded Turntrans-133.56.9174.2-73.7-176.8-176.8156.40114.2V1192V1192-K1194 PolarHBondContact O-N 3.21Å
1195L34.6Very low41.6Very low144 Ų144117.2 Ų117.275%0.75467%0.667SS**THydrogen-bonded Turntrans-114.9-1173.8-80.4165.5000113.1V1192V1192-L1195 PolarHBondContact O-N 3.42Å; V1192-L1195 VanDerWaalsContact O-N 3.11Å
1196C31.6Very low40Very low90 Ų90116.9 Ų116.961%0.60867%0.672SS**SBendtrans-92.9-19-178.5-63.50000114.9V1192 L1198V1192-C1196 PolarHBondContact O-SG 3.38Å; C1196-L1198 PolarHBondContact O-N 3.05Å
1197D35.9Very low38.2Very low144 Ų144120.1 Ų120.177%0.7768%0.682SS**SBendtrans-88.25.9-171.9-72.4-25.2000115.2
1198L34.6Very low36.8Very low169 Ų169127.2 Ų127.289%0.88570%0.698SS**SBendtrans-136.832-166.6-135.687.9000116C1196C1196-L1198 PolarHBondContact O-N 3.05Å
1199A32.2Very low35.9Very low95 Ų95123.6 Ų123.679%0.78569%0.694SS**  trans-143.335.2-178.700000115.3
1200T29.4Very low35Very low117 Ų117128.5 Ų128.572%0.71871%0.713SS**  trans-109.7139.7174.8-48.80000110.6
1201H34.8Very low34.4Very low189 Ų189128.2 Ų128.288%0.87572%0.722SS**  trans92.3131.9-176.3-57.9-78.6000117.3
1202G32.7Very low33.8Very low66 Ų66126.7 Ų126.768%0.6873%0.727SS**  trans111.752.1174.800000114.9
1203I30.6Very low33.3Very low167 Ų167126.7 Ų126.786%0.85673%0.731SS**  74.6124.385.7-64.7164.8000113.9
1204G31.4Very low32.7Very low70 Ų70132.3 Ų132.372%0.72275%0.745SS**  trans107109.9163.800000115.8
1205S32.3Very low32.2Very low102 Ų102128.3 Ų128.371%0.71375%0.748SS**  cis163158.3-23.9-87.90000106.5
1206N34.8Very low31.8Very low140 Ų140126.9 Ų126.975%0.74975%0.749SS**  trans84.786176.9-56.1-0.1000114.6
1207I30.7Very low31.6Very low118 Ų118130.6 Ų130.661%0.60576%0.757SS**  cis96.1149.146.4-60.7158.9000111.7
1208Y35Very low31.1Very low204 Ų204130.9 Ų130.980%0.876%0.758SS**  trans93.5117.3176.3-58.6-72000115.7
1209N33.3Very low30.7Very low123 Ų123133.7 Ų133.766%0.65876%0.756SS**  cis164.1156.3-13.5-102.316.8000103.8
1210N31.1Very low30.5Very low131 Ų131134.7 Ų134.770%0.70176%0.757SS**  cis-153.5138.72.6-158.718.8000110.4
1211P36.3Very low30.6Very low122 Ų122136.6 Ų136.679%0.79276%0.762SS**  trans-113.8142.7168.637.3-27.8000113.6
1212S32Very low30.7Very low109 Ų109133.1 Ų133.176%0.76276%0.757SS**  trans-169.1158.2-179.961.80000109.8
1213S28Very low30.5Very low89 Ų89135 Ų13562%0.62277%0.766SS**  cis-173.7127.2-1.61370000110.1
1214Y27.9Very low30.6Very low235 Ų235131 Ų13192%0.92277%0.766SS**  trans55.4170.6155.1-63.6-107.1000117.1
1215G27.4Very low30.7Very low70 Ų70132.2 Ų132.272%0.72277%0.769SS**  cis-171.1-167.3-3.300000111.9
1216C26Very low30.8Very low115 Ų115131.8 Ų131.878%0.77777%0.766SS**  trans-62.4173.2169.4-50.90000111.6
1217E26.5Very low30.7Very low168 Ų168133.1 Ų133.179%0.78577%0.773SS**  cis-147.2159.823.1-112.9110.8-140.900109
1218L26.5Very low30.8Very low149 Ų149131.5 Ų131.578%0.7879%0.785SS**  49.7108.181.3-100.1171.7000117.7
1219R25.5Very low30.7Very low228 Ų228126.4 Ų126.486%0.8679%0.785SS**  trans77.1136152.9-87.6-177.7172.8179.4-2.5122.2
1220C27.9Very low30.9Very low117 Ų117125.8 Ų125.879%0.79179%0.791SS**  trans78.2124.7151.7-60.70000120.8
1221D31.8Very low31Very low156 Ų156126 Ų12683%0.83480%0.797SS**  trans-59.1167.7156.5-56.5-85.3000112.5
1222P36.9Very low31.1Very low117 Ų117124 Ų12476%0.7680%0.799SS**  cis-141.6172.618.943-24.4000118.7
1223A29.6Very low31.3Very low106 Ų106122.7 Ų122.788%0.87680%0.802SS**  trans33.7122.2147.300000121.8
1224G31.2Very low31.8Very low83 Ų83122.1 Ų122.186%0.85681%0.81SS**  trans-165.5117.8168.500000114.3
1225A33.7Very low32.2Very low94 Ų94118.2 Ų118.278%0.77781%0.805SS**  trans-66.1166.1-164.600000120.7
1226S34.4Very low32.8Very low94 Ų94121.8 Ų121.866%0.65781%0.806SS**  trans71.1115.4137.562.10000123.5
1227D33.2Very low33.3Very low168 Ų168121.5 Ų121.590%0.89880%0.804SS**  58.8144.8116.3-46.7-33.9000123.5
1228G32.2Very low33.8Very low83 Ų83118.2 Ų118.286%0.85680%0.8SS**  trans158.6102.4165.300000114.5
1229A33.7Very low34.3Very low98 Ų98118.8 Ų118.881%0.8180%0.801SS**  trans-98.7-173.3-171.500000115
1230S36.1Very low34.8Very low110 Ų110113.6 Ų113.677%0.76980%0.798SS**  trans78.3149.2159.5-1080000117.8
1231T35.2Very low35.1Very low135 Ų135111.5 Ų111.583%0.82880%0.796SS**  cis-161.4158.5-10.3-7.30000112.1
1232G37Very low35.1Very low81 Ų81109.8 Ų109.884%0.83580%0.796SS**  trans94.6146.6150.600000117.8
1233G36.6Very low34.9Very low81 Ų81109.6 Ų109.684%0.83580%0.797SS**  cis170.7129.2-11.600000116.2
1234G37.9Very low35Very low76 Ų76108.6 Ų108.678%0.78479%0.789SS**  trans90.7157.7156.700000118.5
1235N37.7Very low35.1Very low153 Ų153114.9 Ų114.982%0.81879%0.789SS**  cis-163.8174.1-19.8-151-5000112
1236I38.2Very low35Very low146 Ų146117.7 Ų117.775%0.74979%0.79SS**  trans78112.4168.1-58.7161.2000114.1
1237C36.5Very low34.9Very low109 Ų109116.4 Ų116.474%0.73679%0.792SS**  cis88.5135.138.7-172.90000112.5
1238S37.4Very low35.1Very low98 Ų98116.6 Ų116.669%0.68579%0.788SS**  cis-166.7-166.2-19.459.10000107.8
1239M37.4Very low35.2Very low162 Ų162118.7 Ų118.780%0.79878%0.779SS**  cis-162.8163.11.7-144.6178178.100110.7
1240C35.5Very low35.3Very low119 Ų119122.5 Ų122.580%0.80478%0.78SS**  trans61.8154.8159-66.10000120.1
1241G34.1Very low35.1Very low72 Ų72124.1 Ų124.174%0.74278%0.779SS**  cis-176.8162.6-4.700000115.2
1242S33.4Very low35.2Very low121 Ų121126.1 Ų126.185%0.84678%0.778SS**  trans-55169.3174.5-460000115.3
1243S31.6Very low34.9Very low112 Ų112128.2 Ų128.278%0.78377%0.771SS**  cis-173.2161.9-6.834.80000111.5
1244A31.4Very low34.7Very low85 Ų85131.1 Ų131.170%0.70277%0.773SS**  trans6.2139.4156.500000122.4
1245Y33.8Very low34.3Very low216 Ų216133.2 Ų133.285%0.84778%0.775SS**  -169.7175.8107.9-112.6-80.6000112.8
1246D31.9Very low34.2Very low152 Ų152131.2 Ų131.281%0.81377%0.77SS**  trans-72.3167.9-169.8-57.8-77.3000117.4
1247G32.3Very low33.9Very low68 Ų68130.9 Ų130.970%0.70177%0.77SS**  trans161.9101.7154.900000119.1
1248H37Very low33.8Very low172 Ų172133 Ų13380%0.79677%0.769SS**  trans53.5115.4151.9-72.6-63.1000124
1249D34.5Very low33.5Very low127 Ų127135.2 Ų135.268%0.67977%0.768SS**  33123.2119.2-53-60.3000121.8
1250H36.7Very low33.2Very low177 Ų177137 Ų13782%0.81977%0.772SS**  -170.2171.391.5-112.9-3.8000114.3
1251L31.9Very low33.2Very low144 Ų144141.3 Ų141.375%0.75477%0.773SS**  trans-72.9147.8-168.9-58.599.1000115.2
1252H36.8Very low33.1Very low177 Ų177145.3 Ų145.382%0.81977%0.772SS**  -165170.1111-112.4-63.4000113.6
1253D29.7Very low33.2Very low126 Ų126144.6 Ų144.667%0.67476%0.764SS**  trans-69.8143.6-173.4-47.1-103.7000114.3
1254T32.7Very low33.3Very low142 Ų142150.1 Ų150.187%0.87177%0.77SS**  176.6155.110829.90000111.6
1255S29.2Very low33.5Very low119 Ų119151.1 Ų151.183%0.83277%0.772SS**  trans-125.9136171.9176.30000109.7
1256P36.6Very low33.3Very low111 Ų111150 Ų15072%0.72177%0.774SS**  trans-131155.5156.536.8-24.6000114
1257D31.9Very low33.4Very low140 Ų140149.7 Ų149.775%0.74977%0.772SS**  trans-56.3162.3162.6-55.3-95.6000112.1
1258H33.2Very low33.5Very low153 Ų153152.9 Ų152.971%0.70877%0.773SS**  176.4160107.9-103.1-91.6000114.9
1259H32.3Very low33.4Very low144 Ų144151.8 Ų151.867%0.66777%0.768SS**  trans38.6122.3154.5-64.8-53.5000122.1
1260F31.2Very low33.3Very low199 Ų199151.8 Ų151.887%0.87377%0.768SS**  trans-116.2120.3131.7-103.6-92.1000109.6
1261Y34.1Very low33.2Very low211 Ų211149.4 Ų149.483%0.82777%0.765SS**  trans-146.2111.8169.1-144-72.1000105.5
1262E33Very low33.3Very low156 Ų156147.4 Ų147.473%0.72976%0.764SS**  trans-117110.1-172.7-158.2172.9-129.400109.4
1263P35Very low33.3Very low106 Ų106144.5 Ų144.569%0.68876%0.763SS**PPolyproline II helixtrans-90.8141.8175.834.5-31.2000110.9
1264Y34.4Very low33.9Very low227 Ų227143.4 Ų143.489%0.8976%0.763SS**PPolyproline II helixtrans-81.8138.5162.3-98-91.2000110.5
1265S34.9Very low33.9Very low107 Ų107143.9 Ų143.975%0.74876%0.76SS**PPolyproline II helixtrans-101.6162.6-154.8440000115.2
1266Q30.3Very low34.2Very low192 Ų192145.5 Ų145.590%0.89776%0.759SS**PPolyproline II helixtrans-99.7143170-68.8179.3-5000111.2
1267L32.8Very low34Very low146 Ų146145.3 Ų145.376%0.76476%0.761SS**  trans-156.9132167.4-90158.3000104
1268N35.4Very low34Very low134 Ų134141.8 Ų141.872%0.71776%0.757SS**  cis-133.6149.715.3-65.1-37.1000112.7
1269Q33.9Very low33.9Very low150 Ų150140.4 Ų140.470%0.70176%0.759SS**  7149.7119.4-69.1176.6-74.200119.1
1270D33Very low33.9Very low127 Ų127140 Ų14068%0.67976%0.763SS**  cis-162.8-176.75.5-112.7-28000112.6
1271V35.6Very low33.9Very low126 Ų126136.7 Ų136.776%0.76475%0.754SS**  trans89.582.4161.3-160.50000120
1272S34Very low33.8Very low103 Ų103134.2 Ų134.272%0.7275%0.754SS**  49.7102.9117.8-48.70000124.8
1273S36.5Very low33.7Very low115 Ų115137.7 Ų137.780%0.80476%0.761SS**  67.7170116.5-40.10000120.5
1274P42Very low33.8Very low103 Ų103137.8 Ų137.867%0.66976%0.761SS**  -138.5-166.6-103.736.8-11.8000116.1
1275D33.7Very low33.6Very low153 Ų153133 Ų13382%0.81875%0.747SS**  trans69154.4167.8-47.9-36.3000115.7
1276D34.2Very low33.4Very low152 Ų152133.8 Ų133.881%0.81374%0.743SS**  cis-141.5-164.612.9-158.5-27.6000111.1
1277S31.8Very low33.6Very low107 Ų107132.1 Ų132.175%0.74873%0.733SS**  trans-78.7167.6-166.6520000117.5
1278G32.6Very low33.6Very low66 Ų66131.3 Ų131.368%0.6873%0.728SS**  trans13588.717100000113.3
1279V31.6Very low33.3Very low124 Ų124133.2 Ų133.275%0.75273%0.733SS**  70.8120.173.3177.30000113.8
1280N31.8Very low33.3Very low137 Ų137137.3 Ų137.373%0.73374%0.742SS**  trans68.3150.9165.8-67.8-15.4000116.4
1281N30.7Very low33.2Very low128 Ų128134.8 Ų134.868%0.68475%0.746SS**  cis-160.9-178.7-8.2-126.6-32.6000112
1282L32.3Very low33Very low160 Ų160131.7 Ų131.784%0.83874%0.739SS**  trans72.1103.8150.8-73.9158.4000121.8
1283R30.6Very low32.9Very low229 Ų229134.8 Ų134.886%0.86475%0.748SS**  -48.3176.2129.2-100.4177.8163.5-173.4-3.9112.9
1284P37.6Very low32.6Very low108 Ų108132.7 Ų132.770%0.70174%0.744SS**  cis-120.3-149.52.943.7-26.4000110.8
1285E31.4Very low32.2Very low125 Ų125135.5 Ų135.558%0.58475%0.753SS**  cis-106.1164.5-7.7-93.1-129.510800109.1K1287E1285-K1287 IonicContact OE1-NZ 3.64Å; E1285-K1287 IonicContact OE2-NZ 2.73Å; E1285-K1287 PolarHBondContact OE2-NZ 3.3Å
1286N30.3Very low32Very low124 Ų124133.5 Ų133.566%0.66375%0.746SS**  cis82.7149.639.7-57.7-26.7000116.2
1287K33.3Very low31.7Very low158 Ų158134 Ų13469%0.68774%0.743SS**  trans75.8135.3171.6-54.5173.9-179.7136.40115.4E1285E1285-K1287 IonicContact OE1-NZ 3.64Å; E1285-K1287 IonicContact OE2-NZ 2.73Å; E1285-K1287 PolarHBondContact OE2-NZ 3.3Å
1288L34.1Very low31.5Very low128 Ų128137.3 Ų137.367%0.6775%0.747SS**  cis-148.7124-11.6-142.575.3000105.4
1289E29.4Very low31.3Very low175 Ų175145.5 Ų145.582%0.81876%0.758SS**  44.596.275.3-76-154.1153.600116.3
1290R32.8Very low31.1Very low235 Ų235145.8 Ų145.889%0.88775%0.751SS**  trans-176.4133.1133-97.1156.9-157.8-1303.5107.6
1291G31.5Very low30.9Very low74 Ų74144.7 Ų144.776%0.76375%0.753SS**  cis86.7121.311.900000110.8
1292G31.6Very low30.7Very low61 Ų61144.4 Ų144.463%0.62976%0.762SS**  cis-150.6-179.11.700000111.1
1293N30.6Very low30.6Very low169 Ų169141.7 Ų141.790%0.90476%0.762SS**  92.7127.176.4-74.5-4.5000113.1
1294G30.7Very low30.6Very low70 Ų70140.2 Ų140.272%0.72277%0.765SS**  trans84.5149.6173.200000114.6
1295L32.8Very low30.1Very low163 Ų163139.2 Ų139.285%0.85376%0.76SS**  cis-132.6130.1-8.6-97.1100.3000108.5
1296V31Very low29.9Very low111 Ų111143 Ų14367%0.67377%0.769SS**  72.611791.4175.30000114
1297Q27.8Very low29.7Very low161 Ų161147.2 Ų147.275%0.75278%0.778SS**  trans21.9121.7151.1-60170.6-44.100119.5
1298E27Very low29.7Very low178 Ų178145.6 Ų145.683%0.83278%0.781SS**  -173.7-165.4102-101.4-158.5136.200111.2
1299W27.9Very low29.4Very low238 Ų238147.4 Ų147.490%0.90279%0.786SS**  trans81.9101.1170.8-70.375.4000118.5
1300Q28.4Very low29.3Very low130 Ų130145.3 Ų145.361%0.60778%0.779SS**  trans-81.7154.2162.6-54172.1-85.700110.6L436L436-Q1300 HydrophobicContact CD2-CG 4.41Å
1301S26.7Very low29.1Very low113 Ų113141 Ų14179%0.7977%0.773SS**  trans69.9151.4148.8-60.90000120.7
1302S27.1Very low29.1Very low123 Ų123143.5 Ų143.586%0.8677%0.774SS**  trans74.685.6163-163.80000119.1
1303A30.9Very low28.8Very low102 Ų102150.9 Ų150.984%0.84378%0.784SS**  trans-158.9109.6142.100000110.8
1304Q28.6Very low28.8Very low199 Ų199148.2 Ų148.293%0.9377%0.774SS**  trans-102.3162.6164.5-78.4175.6-75.900109.9
1305S27.8Very low28.7Very low86 Ų86153 Ų15360%0.60178%0.777SS**  trans97.5116.3161.1-1420000118.7
1306R26.5Very low28.6Very low204 Ų204150.9 Ų150.977%0.7778%0.777SS**  trans72.7134.1146.7-73.4174.9-83.6-174-2.9120.8
1307Y27.9Very low28.6Very low214 Ų214152 Ų15284%0.83978%0.784SS**  trans63.8151171.1-63.4-71.3000115.5
1308T31.4Very low28.6Very low124 Ų124154 Ų15476%0.76179%0.79SS**  cis-142.1134.1-1.33.50000106.3
1309H27.9Very low28.7Very low165 Ų165147.6 Ų147.676%0.76477%0.767SS**  63.2126.680.3-121.4-101.6000115.9
1310I27.7Very low28.8Very low132 Ų132142 Ų14268%0.67776%0.763SS**  trans90.2125.2155.8-63.1158000119.5
1311N28.5Very low28.8Very low143 Ų143142.6 Ų142.677%0.76577%0.771SS**  trans66.9151.6165.7-67-11.9000116.7
1312V31.6Very low28.9Very low128 Ų128144.1 Ų144.178%0.77677%0.77SS**  cis-120.2128.321.2177.90000113.5T1314V1312-T1314 WeakPolarHBondContact CG1-O 3.49Å
1313Y26.3Very low29Very low216 Ų216145.3 Ų145.385%0.84777%0.765SS**  trans-101.6155.3154.8-132.8-94.3000108
1314T29.8Very low28.9Very low112 Ų112147.8 Ų147.869%0.68776%0.76SS**  trans69.2142.2-168.179.70000112.9V1312V1312-T1314 WeakPolarHBondContact CG1-O 3.49Å
1315Q29.9Very low28.9Very low170 Ų170144.6 Ų144.679%0.79475%0.75SS**  cis-140.2146.826.5-59.8169.4-14.600112.2
1316S30Very low29Very low120 Ų120148.5 Ų148.584%0.83976%0.759SS**  trans-164.352.2150.865.80000112
1317T30.5Very low29.2Very low135 Ų135144.6 Ų144.683%0.82876%0.759SS**SBendtrans-135.8103172.229.90000110.7
1318K27.8Very low29.3Very low202 Ų202139.2 Ų139.288%0.87875%0.752SS**SBendtrans67.5105.2177.7-59.1-176.7179.5-179.30114.2
1319A28.8Very low29.1Very low43 Ų43140.5 Ų140.536%0.35575%0.752SS.*  cis-142.5-121.1-4.700000111.9P382P382-A1319 WeakPolarHBondContact O-CB 3.24Å
1320C30.4Very low29.2Very low120 Ų120138.3 Ų138.381%0.81175%0.751SS**  62.10-127.8-61.60000112.5S384S384-C1320 VanDerWaalsContact CA-O 3.31Å; S384-C1320 WeakPolarHBondContact CA-O 3.36Å; S384-C1320 WeakPolarHBondContact CB-O 3.3Å; S384-C1320 WeakPolarHBondContact CB-OXT 3.07Å; S384-C1320 VanDerWaalsContact OG-C 3.26Å; S384-C1320 PolarHBondContact OG-O 3.42Å; S384-C1320 PolarHBondContact OG-OXT 3.46Å

Retrieved 1,320 of 1,320 residues in 197.9 ms (Link to these results)

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