A0A087Y8A3_POEFO Loading...

STE20-related kinase adapter protein alpha

Pseudokinase which, in complex with CAB39/MO25 (CAB39/MO25alpha or CAB39L/MO25beta), binds to and activates STK11/LKB1. Adopts a closed conformation typical of active protein kinases and binds STK11/LKB1 as a pseudosubstrate, promoting conformational change of STK11/LKB1 in an active conformation.

AlphaFold DB , UniProt , Accession A0A087Y8A3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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
1M38.3Very low31Very low234 Ų234165 Ų165100%1.15385%0.852SS**  071.80-80.1167.5167.400106.1
2S29.4Very low30.8Very low92 Ų92159.7 Ų159.764%0.64384%0.839SS**  58.5131.956.754.30000114.4
3F29Very low31Very low183 Ų183160 Ų16080%0.80384%0.841SS**  trans85.4126.4171.4-54-84000116.7
4L32.1Very low30.8Very low144 Ų144156.9 Ų156.975%0.75484%0.839SS**  cis-174146.8-2.7-103.7164.1000105.6
5P31.6Very low30.8Very low117 Ų117154 Ų15476%0.7684%0.836SS**PPolyproline II helixtrans-101.3149150.324.6-9.1000110.9
6H30.5Very low30.6Very low198 Ų198154.5 Ų154.592%0.91784%0.837SS**PPolyproline II helixtrans-50.4136.7-174.8-102.5-89.4000114.6
7E31.5Very low30.7Very low182 Ų182152.4 Ų152.485%0.8583%0.833SS**PPolyproline II helixtrans-67.1133.4175.8-70.7177.3122.400112.7
8D28.5Very low31.1Very low158 Ų158157.5 Ų157.585%0.84584%0.838SS**PPolyproline II helixtrans-56130.5159.9-71.5-55.1000110.7
9S28.5Very low31.6Very low118 Ų118161.1 Ų161.183%0.82584%0.839SS**  trans-98.595.6163.98.70000107.9E11S9-E11 PolarHBondContact O-N 3.4Å
10E32.3Very low32.2Very low191 Ų191159.2 Ų159.289%0.89383%0.829SS**  trans-68.5100.4163.4-73.1-173.3143.200109
11E29.5Very low32.7Very low198 Ų198156.2 Ų156.293%0.92582%0.818SS**  trans-93.6117.3157.7-89.8-168.9157.400110.1S9S9-E11 PolarHBondContact O-N 3.4Å
12S28Very low33Very low101 Ų101150.2 Ų150.271%0.70679%0.789SS**  trans-84.3140.3-178.9-177.80000111.4
13L33.3Very low34.1Very low164 Ų164149.1 Ų149.186%0.85979%0.792SS**  trans71.4101.4156.2-63.8156.8000118.9
14S29Very low36.2Very low116 Ų116143.6 Ų143.681%0.81178%0.776SS**  -140.4129.5122.659.90000110.8L16S14-L16 PolarHBondContact O-N 3.21Å
15S30.1Very low39Very low114 Ų114137.2 Ų137.280%0.79774%0.742SS**  trans-54.9113.4-179.451.50000111.9
16L28.2Very low42Very low162 Ų162135.8 Ų135.885%0.84873%0.728SS**PPolyproline II helixtrans-56.1134.8163.6-74.4153.8000108.9S14 R18S14-L16 PolarHBondContact O-N 3.21Å; L16-R18 PolarHBondContact O-N 3.27Å
17P32.6Very low45.1Very low119 Ų119130.7 Ų130.777%0.77371%0.712SS**PPolyproline II helixtrans-59134.2175.722.7-29.8000109.4R19P17-R19 PolarHBondContact O-N 3.04Å
18R37.7Very low48.2Very low244 Ų244125.7 Ų125.792%0.92169%0.691SS**PPolyproline II helixtrans-52.2132178.5-78-180173.2179.5-2109.2L16 D20L16-R18 PolarHBondContact O-N 3.27Å; R18-D20 PolarHBondContact O-N 3.36Å; R18-D20 VanDerWaalsContact O-N 3.13Å
19R40.9Very low51.4Low226 Ų226120 Ų12085%0.85366%0.664SS**PPolyproline II helixtrans-54116.8173.3-75.5175.6174163.6-2.3109.4P17 T21P17-R19 PolarHBondContact O-N 3.04Å; R19-T21 PolarHBondContact O-N 3.14Å; R19-T21 PolarHBondContact O-OG1 3.04Å
20D43.8Very low54.7Low122 Ų122116.3 Ų116.365%0.65265%0.645SS**  trans-74.173.8166.5-96.9-25.8000109.1R18 R97R18-D20 PolarHBondContact O-N 3.36Å; R18-D20 VanDerWaalsContact O-N 3.13Å; D20-R97 VanDerWaalsContact CG-NH2 3.31Å; D20-R97 IonicContact OD1-CZ 3.71Å; D20-R97 IonicContact OD1-NH1 3.3Å; D20-R97 PolarHBondContact OD1-NH1 3.22Å; D20-R97 IonicContact OD1-NH2 3.56Å; D20-R97 PolarHBondContact OD1-NH2 3.35Å; D20-R97 IonicContact OD2-CZ 3.68Å; D20-R97 IonicContact OD2-NH1 2.78Å; D20-R97 PolarHBondContact OD2-NH1 3.08Å; D20-R97 IonicContact OD2-NH2 2.85Å; D20-R97 PolarHBondContact OD2-NH2 3.3Å
21T41.3Very low57.8Low97 Ų97107.9 Ų107.960%0.59561%0.607SS**  trans-77.3132.4176.10.70000109.9R19 G23R19-T21 PolarHBondContact O-N 3.14Å; R19-T21 PolarHBondContact O-OG1 3.04Å; T21-G23 PolarHBondContact O-N 3.33Å
22M45.6Very low61.1Low109 Ų10998.9 Ų98.954%0.53756%0.564SS.*THydrogen-bonded Turntrans-47.5105.8156.2-91.3167.965.500107.8K86M22-K86 HydrophobicContact CE-CD 4.23Å; M22-K86 HydrophobicContact CE-CG 3.95Å
23G51.3Low64.4Low69 Ų6997.5 Ų97.571%0.71155%0.547SS*.THydrogen-bonded Turntrans152.3-5.7-17500000117.2T21T21-G23 PolarHBondContact O-N 3.33Å
24S74.3Confident67.4Low66 Ų6692.8 Ų92.846%0.46252%0.522SS..SBendtrans-86.7-17.9178.759.20000114.9Y53S24-Y53 PolarHBondContact O-OH 2.89Å
25F91.5Very high70.6Confident11 Ų1189.9 Ų89.95%0.04850%0.497CS..SBendtrans-109.4113.8-174.4-71.3-82.9000110.8Y32 Y53 V60 R97 S98 I109F25-Y32 WeakPolarHBondContact CB-OH 3.44Å; F25-Y32 HydrophobicContact CD1-CE1 4.28Å; F25-Y53 WeakPolarHBondContact CA-OH 3.44Å; F25-Y53 AromaticContact CD1-CD1 3.52Å; F25-Y53 HydrophobicContact CD1-CD1 3.52Å; F25-Y53 AromaticContact CD1-CD2 3.98Å; F25-Y53 HydrophobicContact CD1-CD2 3.98Å; F25-Y53 AromaticContact CD1-CE1 3.72Å; F25-Y53 HydrophobicContact CD1-CE1 3.72Å; F25-Y53 HydrophobicContact CD1-CE2 4.16Å; F25-Y53 AromaticContact CD1-CG 3.66Å; F25-Y53 HydrophobicContact CD1-CG 3.66Å; F25-Y53 AromaticContact CE1-CD1 3.5Å; F25-Y53 HydrophobicContact CE1-CD1 3.5Å; F25-Y53 VanDerWaalsContact CE1-CD1 3.5Å; F25-Y53 HydrophobicContact CE1-CE1 4.05Å; F25-Y53 AromaticContact CE1-CG 3.79Å; F25-Y53 HydrophobicContact CE1-CG 3.79Å; F25-Y53 HydrophobicContact CG-CE1 4.46Å; F25-V60 HydrophobicContact CD1-CG1 4.29Å; F25-V60 HydrophobicContact CE1-CG1 3.48Å; F25-V60 VanDerWaalsContact CE1-CG1 3.48Å; F25-V60 HydrophobicContact CZ-CG1 3.88Å; F25-R97 HydrophobicContact CD2-CB 3.56Å; F25-R97 HydrophobicContact CD2-CG 4.04Å; F25-R97 HydrophobicContact CE2-CB 3.95Å; F25-R97 HydrophobicContact CE2-CG 3.89Å; F25-R97 HydrophobicContact CG-CB 4.22Å; F25-S98 WeakPolarHBondContact O-CB 3.34Å; F25-S98 PolarHBondContact O-OG 2.85Å; F25-I109 HydrophobicContact CD1-CG2 4.42Å
26L94.5Very high73.6Confident87 Ų8788.8 Ų88.846%0.45549%0.486SS..  trans-61.7136.1-176.1-69.2171000111.4D28 Y32 Y53 P55L26-D28 PolarHBondContact O-N 2.87Å; L26-Y32 VanDerWaalsContact O-CE2 3.25Å; L26-Y32 WeakPolarHBondContact O-CE2 3.38Å; L26-Y32 PolarHBondContact O-OH 2.95Å; L26-Y53 HydrophobicContact CB-CE2 4.4Å; L26-Y53 WeakPolarHBondContact CG-OH 3.24Å; L26-Y53 PolarHBondContact N-OH 3.01Å; L26-P55 HydrophobicContact CD1-CG 4.24Å
27P95.8Very high76.7Confident90 Ų9084.6 Ų84.658%0.58447%0.467SS*.SBendtrans-81.656.7175.635.5-35.8000111.2F100P27-F100 VanDerWaalsContact CA-CD1 3.46Å; P27-F100 HydrophobicContact CB-CB 3.78Å; P27-F100 HydrophobicContact CB-CD1 3.87Å; P27-F100 HydrophobicContact CB-CG 3.86Å
28D95.3Very high79.5Confident77 Ų7782.1 Ų82.141%0.41245%0.446SS..  trans-139.1120.8-177.4161.946.1000109L26 G30 S31 Y32L26-D28 PolarHBondContact O-N 2.87Å; D28-G30 PolarHBondContact O-N 3.41Å; D28-G30 PolarHBondContact OD1-N 3.18Å; D28-G30 VanDerWaalsContact OD1-N 3.1Å; D28-S31 VanDerWaalsContact O-CB 3.31Å; D28-S31 WeakPolarHBondContact O-CB 3.32Å; D28-S31 PolarHBondContact O-N 3.18Å; D28-S31 VanDerWaalsContact O-N 3.08Å; D28-S31 PolarHBondContact OD2-N 2.6Å; D28-S31 VanDerWaalsContact OD2-N 3.08Å; D28-S31 PolarHBondContact OD2-OG 2.89Å; D28-Y32 WeakPolarHBondContact O-CD2 3.24Å; D28-Y32 WeakPolarHBondContact O-CE2 3.33Å
29S96.6Very high82Confident40 Ų4071.8 Ų71.828%0.2842%0.416SS..G310 helixtrans-62.4-31.1-179.354.20000112S31 Y32S29-S31 PolarHBondContact O-N 2.94Å; S29-S31 VanDerWaalsContact O-N 3.15Å; S29-Y32 PolarHBondContact O-N 3.29Å; S29-Y32 VanDerWaalsContact O-N 3.09Å
30G97.1Very high84.4Confident40 Ų4067.8 Ų67.841%0.41241%0.405SS..G310 helixtrans-60.6-22.8175.900000113.7D28 Y32 K54D28-G30 PolarHBondContact O-N 3.41Å; D28-G30 PolarHBondContact OD1-N 3.18Å; D28-G30 VanDerWaalsContact OD1-N 3.1Å; G30-Y32 VanDerWaalsContact C-N 3.27Å; G30-Y32 PolarHBondContact O-N 3.21Å; G30-K54 WeakPolarHBondContact O-CD 3.48Å; G30-K54 WeakPolarHBondContact O-CE 3.43Å; G30-K54 PolarHBondContact O-NZ 3.42Å
31S97.4Very high86.5Confident14 Ų1462.9 Ų62.910%0.09838%0.383CS..G310 helixtrans-79.3-4.2178.2-63.50000114.1D28 S29 Y53 K54D28-S31 VanDerWaalsContact O-CB 3.31Å; D28-S31 WeakPolarHBondContact O-CB 3.32Å; D28-S31 PolarHBondContact O-N 3.18Å; D28-S31 VanDerWaalsContact O-N 3.08Å; D28-S31 PolarHBondContact OD2-N 2.6Å; D28-S31 VanDerWaalsContact OD2-N 3.08Å; D28-S31 PolarHBondContact OD2-OG 2.89Å; S29-S31 PolarHBondContact O-N 2.94Å; S29-S31 VanDerWaalsContact O-N 3.15Å; S31-Y53 WeakPolarHBondContact O-CD2 3.43Å; S31-K54 WeakPolarHBondContact O-CB 3.27Å; S31-K54 WeakPolarHBondContact O-CG 3.4Å; S31-K54 PolarHBondContact O-N 2.76Å
32Y97.9Very high88.5Confident8 Ų859.2 Ų59.23%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-120.9141.1179.7-54.1-93.6000110.8F25 L26 D28 S29 G30 Y53 V60 I62 F100 W107 I109F25-Y32 WeakPolarHBondContact CB-OH 3.44Å; F25-Y32 HydrophobicContact CD1-CE1 4.28Å; L26-Y32 VanDerWaalsContact O-CE2 3.25Å; L26-Y32 WeakPolarHBondContact O-CE2 3.38Å; L26-Y32 PolarHBondContact O-OH 2.95Å; D28-Y32 WeakPolarHBondContact O-CD2 3.24Å; D28-Y32 WeakPolarHBondContact O-CE2 3.33Å; S29-Y32 PolarHBondContact O-N 3.29Å; S29-Y32 VanDerWaalsContact O-N 3.09Å; G30-Y32 VanDerWaalsContact C-N 3.27Å; G30-Y32 PolarHBondContact O-N 3.21Å; Y32-Y53 AromaticContact CD1-CD2 3.77Å; Y32-Y53 HydrophobicContact CD1-CD2 3.77Å; Y32-Y53 HydrophobicContact CD1-CG 4.45Å; Y32-Y53 AromaticContact CE1-CD2 3.38Å; Y32-Y53 HydrophobicContact CE1-CD2 3.38Å; Y32-Y53 HydrophobicContact CE1-CE2 4.03Å; Y32-Y53 HydrophobicContact CE1-CG 4.12Å; Y32-Y53 HydrophobicContact CE2-CD2 4.44Å; Y32-Y53 HydrophobicContact CG-CD2 4.46Å; Y32-Y53 AromaticContact CZ-CD2 3.74Å; Y32-Y53 AromaticContact CZ-CE2 3.92Å; Y32-V60 HydrophobicContact CD1-CG2 4.1Å; Y32-V60 HydrophobicContact CE1-CG2 4.31Å; Y32-I62 HydrophobicContact CD1-CD1 3.63Å; Y32-I62 HydrophobicContact CE1-CD1 4.45Å; Y32-I62 HydrophobicContact CG-CD1 3.69Å; Y32-F100 HydrophobicContact CD2-CZ 4.16Å; Y32-F100 AromaticContact CE2-CE1 3.95Å; Y32-F100 HydrophobicContact CE2-CE1 3.95Å; Y32-F100 AromaticContact CE2-CZ 3.68Å; Y32-F100 HydrophobicContact CE2-CZ 3.68Å; Y32-W107 HydrophobicContact CD2-CZ3 4.2Å; Y32-W107 HydrophobicContact CG-CZ3 4.38Å; Y32-I109 HydrophobicContact CD1-CD1 4.37Å; Y32-I109 HydrophobicContact CE1-CD1 3.96Å; Y32-I109 HydrophobicContact CE1-CG1 4.16Å; Y32-I109 HydrophobicContact CE1-CG2 4.05Å; Y32-I109 HydrophobicContact CE2-CD1 4.44Å
33E97.4Very high90.2Very high72 Ų7258.5 Ų58.534%0.33636%0.358SS..EExtended strand (participates in β ladder)trans-105.5111.5168.9178.1-178-155.100108.1L35 A51 R52E33-L35 HydrophobicContact CG-CD2 4.14Å; E33-L35 PolarHBondContact O-N 3.21Å; E33-A51 CarbonylContact O-C 3.57Å; E33-A51 WeakPolarHBondContact O-CA 3.23Å; E33-A51 VanDerWaalsContact O-CB 3.28Å; E33-A51 WeakPolarHBondContact O-CB 3.38Å; E33-R52 HydrophobicContact CB-CB 4.36Å; E33-R52 PolarHBondContact N-O 3.13Å; E33-R52 PolarHBondContact O-N 3.26Å; E33-R52 IonicContact OE1-NH2 3.63Å; E33-R52 IonicContact OE2-CZ 3.95Å; E33-R52 IonicContact OE2-NE 3.88Å; E33-R52 PolarHBondContact OE2-NE 2.82Å; E33-R52 IonicContact OE2-NH2 3.33Å; E33-R52 PolarHBondContact OE2-NH2 3.46Å
34L96.8Very high91.7Very high66 Ų6660.7 Ų60.735%0.34635%0.353SS..EExtended strand (participates in β ladder)trans-69.8127176.1-63.9176000109.6N49 A51 I62 W107L34-N49 HydrophobicContact CD2-CB 3.87Å; L34-A51 HydrophobicContact CD2-CB 4.27Å; L34-I62 HydrophobicContact CD2-CB 4.43Å; L34-I62 HydrophobicContact CD2-CD1 4Å; L34-W107 HydrophobicContact CD1-CH2 4.05Å; L34-W107 HydrophobicContact CD1-CZ2 4.14Å; L34-W107 HydrophobicContact CD2-CH2 4.01Å; L34-W107 HydrophobicContact CD2-CZ3 4.41Å; L34-W107 HydrophobicContact CG-CH2 4.13Å
35L95.7Very high92.5Very high54 Ų5459.7 Ų59.728%0.28334%0.342SS..EExtended strand (participates in β ladder)trans-107.4-140.4174.4-53.9175.5000108.2E33 N49 L50 R52E33-L35 HydrophobicContact CG-CD2 4.14Å; E33-L35 PolarHBondContact O-N 3.21Å; L35-N49 PolarHBondContact O-ND2 3.1Å; L35-L50 CarbonylContact C-O 3.59Å; L35-L50 WeakPolarHBondContact CA-O 3.47Å; L35-L50 HydrophobicContact CB-CB 4.48Å; L35-L50 HydrophobicContact CB-CD2 4.43Å; L35-L50 HydrophobicContact CB-CG 4.31Å; L35-L50 WeakPolarHBondContact CB-O 3.31Å; L35-L50 HydrophobicContact CD1-CD2 4.14Å; L35-L50 HydrophobicContact CD1-CG 4.13Å; L35-L50 PolarHBondContact N-O 3.09Å; L35-R52 HydrophobicContact CD1-CB 4.36Å
36T93.5Very high92.6Very high92 Ų9260.1 Ų60.156%0.56435%0.345SS*.EExtended strand (participates in β ladder)trans-64145.2-175.1-46.20000113.6I38 N49 L50T36-I38 PolarHBondContact O-N 3.48Å; T36-N49 WeakPolarHBondContact O-CA 3.44Å; T36-L50 PolarHBondContact O-N 3.5Å
37V94.6Very high92.7Very high74 Ų7457.6 Ų57.645%0.44833%0.333SS..EExtended strand (participates in β ladder)trans-72.9120.3166.4176.50000109.1T47 V48V37-T47 HydrophobicContact CB-CG2 4.43Å; V37-T47 HydrophobicContact CG1-CG2 3.79Å; V37-T47 HydrophobicContact CG2-CG2 3.82Å; V37-V48 CarbonylContact C-O 3.42Å; V37-V48 WeakPolarHBondContact CA-O 3.47Å
38I91.5Very high92.7Very high66 Ų6654.3 Ų54.334%0.33831%0.311SS..EExtended strand (participates in β ladder)trans-107-6.5-178.559.8174000113T36 V48 L50 A61 F112T36-I38 PolarHBondContact O-N 3.48Å; I38-V48 HydrophobicContact CD1-CG1 4.01Å; I38-V48 HydrophobicContact CG1-CB 4.15Å; I38-V48 HydrophobicContact CG1-CG1 3.8Å; I38-V48 WeakPolarHBondContact CG1-O 3.49Å; I38-V48 PolarHBondContact N-O 3.33Å; I38-L50 HydrophobicContact CD1-CB 4.45Å; I38-L50 HydrophobicContact CG2-CB 3.89Å; I38-A61 HydrophobicContact CD1-CB 4.22Å; I38-F112 HydrophobicContact CD1-CD2 4.17Å; I38-F112 HydrophobicContact CD1-CE2 3.96Å
39G89.9Confident92.8Very high27 Ų2751 Ų5128%0.27829%0.293SS..EExtended strand (participates in β ladder)trans-174.7165.5176.300000113.8V48G39-V48 PolarHBondContact N-O 2.91Å; G39-V48 PolarHBondContact O-N 3.12Å
40K90.5Very high92.8Very high143 Ų14349.5 Ų49.562%0.62228%0.282SS*.EExtended strand (participates in β ladder)trans-134.8157.1172.1-66.6-174177.5-173.10110.1M46K40-M46 CarbonylContact C-O 3.47Å; K40-M46 VanDerWaalsContact CA-O 3.27Å; K40-M46 WeakPolarHBondContact CA-O 3.41Å
41G86.9Confident92.8Very high19 Ų1947.6 Ų47.620%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-170.8-170.4172.100000112.6D43 D44 L45 M46G41-D43 VanDerWaalsContact C-N 3.33Å; G41-D43 PolarHBondContact O-N 2.88Å; G41-D44 PolarHBondContact O-N 3.29Å; G41-L45 PolarHBondContact O-N 3.45Å; G41-M46 PolarHBondContact N-O 3.02Å; G41-M46 VanDerWaalsContact O-CB 3.31Å; G41-M46 WeakPolarHBondContact O-CB 3.48Å; G41-M46 PolarHBondContact O-N 2.93Å
42L84.1Confident92.7Very high19 Ų1951.8 Ų51.810%0.09928%0.276CS..THydrogen-bonded Turntrans50.651.7-175-162.259.8000112.3D44 L45 M46 I65 M74 L78L42-D44 VanDerWaalsContact C-N 3.29Å; L42-D44 PolarHBondContact O-N 2.9Å; L42-L45 HydrophobicContact CB-CB 4.43Å; L42-L45 HydrophobicContact CD2-CB 4.47Å; L42-L45 HydrophobicContact CG-CB 4.4Å; L42-L45 VanDerWaalsContact O-CB 3.24Å; L42-L45 WeakPolarHBondContact O-CB 3.34Å; L42-L45 WeakPolarHBondContact O-CG 3.28Å; L42-L45 PolarHBondContact O-N 2.92Å; L42-M46 HydrophobicContact CB-CB 3.99Å; L42-I65 HydrophobicContact CD2-CG2 4.09Å; L42-M74 HydrophobicContact CD1-CE 3.87Å; L42-M74 HydrophobicContact CD1-SD 3.71Å; L42-M74 HydrophobicContact CD2-CG 4.43Å; L42-M74 HydrophobicContact CD2-SD 4Å; L42-M74 HydrophobicContact CG-CE 4.21Å; L42-M74 HydrophobicContact CG-SD 4.19Å; L42-L78 HydrophobicContact CD2-CD2 4.16Å
43D81.1Confident92.7Very high95 Ų9551.8 Ų51.851%0.50828%0.276SS..THydrogen-bonded Turntrans49.649.4-178.3-57.3-34.7000113.4G41 L45 K202G41-D43 VanDerWaalsContact C-N 3.33Å; G41-D43 PolarHBondContact O-N 2.88Å; D43-L45 PolarHBondContact O-N 3.1Å; D43-K202 IonicContact OD1-NZ 2.8Å; D43-K202 PolarHBondContact OD1-NZ 3.03Å
44D83.6Confident92.7Very high114 Ų11453.6 Ų53.661%0.6128%0.283SS*.THydrogen-bonded Turntrans68.12.4179.2-60.2-50.2000116G41 L42 M46G41-D44 PolarHBondContact O-N 3.29Å; L42-D44 VanDerWaalsContact C-N 3.29Å; L42-D44 PolarHBondContact O-N 2.9Å; D44-M46 VanDerWaalsContact C-N 3.3Å; D44-M46 PolarHBondContact O-N 2.79Å
45L90.4Very high92.6Very high46 Ų4654 Ų5424%0.24129%0.289CS..THydrogen-bonded Turntrans-73.8-19.3172.1-57-179000113.6G41 L42 D43 I65 D66G41-L45 PolarHBondContact O-N 3.45Å; L42-L45 HydrophobicContact CB-CB 4.43Å; L42-L45 HydrophobicContact CD2-CB 4.47Å; L42-L45 HydrophobicContact CG-CB 4.4Å; L42-L45 VanDerWaalsContact O-CB 3.24Å; L42-L45 WeakPolarHBondContact O-CB 3.34Å; L42-L45 WeakPolarHBondContact O-CG 3.28Å; L42-L45 PolarHBondContact O-N 2.92Å; D43-L45 PolarHBondContact O-N 3.1Å; L45-I65 WeakPolarHBondContact O-CA 3.36Å; L45-D66 PolarHBondContact O-N 3.15Å
46M94.5Very high92.6Very high20 Ų2055.6 Ų55.610%0.09930%0.302CS..EExtended strand (participates in β ladder)trans-111.5125.6178.9-177.1-176.373.800110.9K40 G41 L42 D44 V48 R63 R64 I65 R178K40-M46 CarbonylContact C-O 3.47Å; K40-M46 VanDerWaalsContact CA-O 3.27Å; K40-M46 WeakPolarHBondContact CA-O 3.41Å; G41-M46 PolarHBondContact N-O 3.02Å; G41-M46 VanDerWaalsContact O-CB 3.31Å; G41-M46 WeakPolarHBondContact O-CB 3.48Å; G41-M46 PolarHBondContact O-N 2.93Å; L42-M46 HydrophobicContact CB-CB 3.99Å; D44-M46 VanDerWaalsContact C-N 3.3Å; D44-M46 PolarHBondContact O-N 2.79Å; M46-V48 HydrophobicContact CE-CG2 4.01Å; M46-R63 HydrophobicContact CG-CB 4.49Å; M46-R63 HydrophobicContact SD-CB 4.26Å; M46-R63 HydrophobicContact SD-CG 4.45Å; M46-R63 PolarHBondContact SD-NE 3.08Å; M46-R63 VanDerWaalsContact SD-NE 3.39Å; M46-R64 CarbonylContact C-O 3.58Å; M46-R64 VanDerWaalsContact CA-O 3.31Å; M46-R64 WeakPolarHBondContact CA-O 3.14Å; M46-I65 HydrophobicContact CB-CG1 3.93Å; M46-I65 HydrophobicContact CG-CD1 4.4Å; M46-I65 HydrophobicContact CG-CG1 3.72Å; M46-I65 HydrophobicContact SD-CD1 4.38Å; M46-I65 HydrophobicContact SD-CG1 4.33Å; M46-R178 PolarHBondContact SD-NH2 2.9Å
47T96.3Very high92.6Very high33 Ų3352.7 Ų52.720%0.20229%0.29CS..EExtended strand (participates in β ladder)trans-109.9136.2168.3-610000109.7V37 N49 R64V37-T47 HydrophobicContact CB-CG2 4.43Å; V37-T47 HydrophobicContact CG1-CG2 3.79Å; V37-T47 HydrophobicContact CG2-CG2 3.82Å; T47-N49 WeakPolarHBondContact CG2-OD1 3.4Å; T47-R64 PolarHBondContact N-O 2.96Å; T47-R64 PolarHBondContact O-N 3.08Å
48V96Very high92.6Very high22 Ų2253.4 Ų53.413%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-109.7118174.7-1670000108.4V37 I38 G39 M46 A61 I62 R63V37-V48 CarbonylContact C-O 3.42Å; V37-V48 WeakPolarHBondContact CA-O 3.47Å; I38-V48 HydrophobicContact CD1-CG1 4.01Å; I38-V48 HydrophobicContact CG1-CB 4.15Å; I38-V48 HydrophobicContact CG1-CG1 3.8Å; I38-V48 WeakPolarHBondContact CG1-O 3.49Å; I38-V48 PolarHBondContact N-O 3.33Å; G39-V48 PolarHBondContact N-O 2.91Å; G39-V48 PolarHBondContact O-N 3.12Å; M46-V48 HydrophobicContact CE-CG2 4.01Å; V48-A61 HydrophobicContact CG1-CB 4.49Å; V48-I62 CarbonylContact C-O 3.59Å; V48-I62 WeakPolarHBondContact CA-O 3.38Å; V48-R63 HydrophobicContact CG1-CG 4.01Å; V48-R63 HydrophobicContact CG2-CG 3.97Å
49N96.8Very high92.8Very high6 Ų652.5 Ų52.53%0.03228%0.283CS..EExtended strand (participates in β ladder)trans-106139.8177.1-73.290.4000110.1L34 L35 T36 T47 A61 I62 R64L34-N49 HydrophobicContact CD2-CB 3.87Å; L35-N49 PolarHBondContact O-ND2 3.1Å; T36-N49 WeakPolarHBondContact O-CA 3.44Å; T47-N49 WeakPolarHBondContact CG2-OD1 3.4Å; N49-A61 CarbonylContact O-C 3.58Å; N49-A61 WeakPolarHBondContact O-CA 3.33Å; N49-I62 PolarHBondContact N-O 3.29Å; N49-I62 PolarHBondContact O-N 3.01Å; N49-R64 PolarHBondContact OD1-NE 2.92Å; N49-R64 PolarHBondContact OD1-NH2 2.95Å
50L96.1Very high93.1Very high9 Ų951.2 Ų51.25%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-67.6138.8151.2172.967.7000107.4L35 T36 I38 H59 F112 F370L35-L50 CarbonylContact C-O 3.59Å; L35-L50 WeakPolarHBondContact CA-O 3.47Å; L35-L50 HydrophobicContact CB-CB 4.48Å; L35-L50 HydrophobicContact CB-CD2 4.43Å; L35-L50 HydrophobicContact CB-CG 4.31Å; L35-L50 WeakPolarHBondContact CB-O 3.31Å; L35-L50 HydrophobicContact CD1-CD2 4.14Å; L35-L50 HydrophobicContact CD1-CG 4.13Å; L35-L50 PolarHBondContact N-O 3.09Å; T36-L50 PolarHBondContact O-N 3.5Å; I38-L50 HydrophobicContact CD1-CB 4.45Å; I38-L50 HydrophobicContact CG2-CB 3.89Å; L50-H59 HydrophobicContact CD1-CB 4.07Å; L50-F112 HydrophobicContact CD1-CB 4.42Å; L50-F112 HydrophobicContact CD1-CD1 3.98Å; L50-F112 HydrophobicContact CD1-CD2 3.72Å; L50-F112 HydrophobicContact CD1-CE1 4.13Å; L50-F112 HydrophobicContact CD1-CE2 3.9Å; L50-F112 HydrophobicContact CD1-CG 3.76Å; L50-F112 HydrophobicContact CD1-CZ 4.09Å; L50-F370 HydrophobicContact CD1-CE1 4.07Å; L50-F370 HydrophobicContact CD2-CD1 3.56Å; L50-F370 HydrophobicContact CD2-CE1 3.66Å
51A96.9Very high93.4Very high0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-142.6156.1176.700000111.1E33 L34 H59 V60 I62E33-A51 CarbonylContact O-C 3.57Å; E33-A51 WeakPolarHBondContact O-CA 3.23Å; E33-A51 VanDerWaalsContact O-CB 3.28Å; E33-A51 WeakPolarHBondContact O-CB 3.38Å; L34-A51 HydrophobicContact CD2-CB 4.27Å; A51-H59 WeakPolarHBondContact O-CA 3.31Å; A51-V60 HydrophobicContact CB-CG2 4.12Å; A51-V60 PolarHBondContact N-O 2.94Å; A51-V60 PolarHBondContact O-N 2.77Å; A51-I62 HydrophobicContact CB-CD1 3.37Å; A51-I62 HydrophobicContact CB-CG1 3.65Å
52R96.6Very high93.9Very high102 Ų10243.9 Ų43.939%0.38523%0.234SC..EExtended strand (participates in β ladder)trans-101121.4170.4-174.417466.3131.6-4.5109.4E33 L35 K54E33-R52 HydrophobicContact CB-CB 4.36Å; E33-R52 PolarHBondContact N-O 3.13Å; E33-R52 PolarHBondContact O-N 3.26Å; E33-R52 IonicContact OE1-NH2 3.63Å; E33-R52 IonicContact OE2-CZ 3.95Å; E33-R52 IonicContact OE2-NE 3.88Å; E33-R52 PolarHBondContact OE2-NE 2.82Å; E33-R52 IonicContact OE2-NH2 3.33Å; E33-R52 PolarHBondContact OE2-NH2 3.46Å; L35-R52 HydrophobicContact CD1-CB 4.36Å; R52-K54 PolarHBondContact O-N 2.88Å
53Y97.4Very high94.6Very high8 Ų844.2 Ų44.23%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-76.6107.3172.5-179.4-129000109.1S24 F25 L26 S31 Y32 P55 T56 G57 E58S24-Y53 PolarHBondContact O-OH 2.89Å; F25-Y53 WeakPolarHBondContact CA-OH 3.44Å; F25-Y53 AromaticContact CD1-CD1 3.52Å; F25-Y53 HydrophobicContact CD1-CD1 3.52Å; F25-Y53 AromaticContact CD1-CD2 3.98Å; F25-Y53 HydrophobicContact CD1-CD2 3.98Å; F25-Y53 AromaticContact CD1-CE1 3.72Å; F25-Y53 HydrophobicContact CD1-CE1 3.72Å; F25-Y53 HydrophobicContact CD1-CE2 4.16Å; F25-Y53 AromaticContact CD1-CG 3.66Å; F25-Y53 HydrophobicContact CD1-CG 3.66Å; F25-Y53 AromaticContact CE1-CD1 3.5Å; F25-Y53 HydrophobicContact CE1-CD1 3.5Å; F25-Y53 VanDerWaalsContact CE1-CD1 3.5Å; F25-Y53 HydrophobicContact CE1-CE1 4.05Å; F25-Y53 AromaticContact CE1-CG 3.79Å; F25-Y53 HydrophobicContact CE1-CG 3.79Å; F25-Y53 HydrophobicContact CG-CE1 4.46Å; L26-Y53 HydrophobicContact CB-CE2 4.4Å; L26-Y53 WeakPolarHBondContact CG-OH 3.24Å; L26-Y53 PolarHBondContact N-OH 3.01Å; S31-Y53 WeakPolarHBondContact O-CD2 3.43Å; Y32-Y53 AromaticContact CD1-CD2 3.77Å; Y32-Y53 HydrophobicContact CD1-CD2 3.77Å; Y32-Y53 HydrophobicContact CD1-CG 4.45Å; Y32-Y53 AromaticContact CE1-CD2 3.38Å; Y32-Y53 HydrophobicContact CE1-CD2 3.38Å; Y32-Y53 HydrophobicContact CE1-CE2 4.03Å; Y32-Y53 HydrophobicContact CE1-CG 4.12Å; Y32-Y53 HydrophobicContact CE2-CD2 4.44Å; Y32-Y53 HydrophobicContact CG-CD2 4.46Å; Y32-Y53 AromaticContact CZ-CD2 3.74Å; Y32-Y53 AromaticContact CZ-CE2 3.92Å; Y53-P55 VanDerWaalsContact C-CD 3.47Å; Y53-P55 HydrophobicContact CD2-CG 4.27Å; Y53-P55 HydrophobicContact CE1-CB 3.97Å; Y53-P55 HydrophobicContact CE1-CG 4.03Å; Y53-P55 HydrophobicContact CE2-CG 3.7Å; Y53-T56 HydrophobicContact CD1-CG2 4.17Å; Y53-T56 WeakPolarHBondContact CD1-OG1 3.38Å; Y53-T56 HydrophobicContact CE1-CG2 4.08Å; Y53-T56 PolarHBondContact O-N 2.66Å; Y53-G57 WeakPolarHBondContact O-CA 3.4Å; Y53-G57 PolarHBondContact O-N 3.34Å; Y53-E58 PolarHBondContact N-O 2.88Å
54K96.8Very high95.3Very high110 Ų11041.9 Ų41.948%0.47822%0.218SC..THydrogen-bonded Turntrans-57.3-40.2-168.6-62.4176.2-174.7167.60114.1G30 S31 R52 T56G30-K54 WeakPolarHBondContact O-CD 3.48Å; G30-K54 WeakPolarHBondContact O-CE 3.43Å; G30-K54 PolarHBondContact O-NZ 3.42Å; S31-K54 WeakPolarHBondContact O-CB 3.27Å; S31-K54 WeakPolarHBondContact O-CG 3.4Å; S31-K54 PolarHBondContact O-N 2.76Å; R52-K54 PolarHBondContact O-N 2.88Å; K54-T56 VanDerWaalsContact C-N 3.3Å; K54-T56 PolarHBondContact O-N 2.77Å
55P96Very high96Very high74 Ų7436.5 Ų36.548%0.48119%0.189SC..THydrogen-bonded Turntrans-61.4-31.4-177.9-28.338.3000115.2L26 Y53L26-P55 HydrophobicContact CD1-CG 4.24Å; Y53-P55 VanDerWaalsContact C-CD 3.47Å; Y53-P55 HydrophobicContact CD2-CG 4.27Å; Y53-P55 HydrophobicContact CE1-CB 3.97Å; Y53-P55 HydrophobicContact CE1-CG 4.03Å; Y53-P55 HydrophobicContact CE2-CG 3.7Å
56T94.9Very high96.3Very high89 Ų8936.6 Ų36.655%0.54619%0.189SC..THydrogen-bonded Turntrans-116.7-15.2-178.163.60000113.6Y53 K54 E58Y53-T56 HydrophobicContact CD1-CG2 4.17Å; Y53-T56 WeakPolarHBondContact CD1-OG1 3.38Å; Y53-T56 HydrophobicContact CE1-CG2 4.08Å; Y53-T56 PolarHBondContact O-N 2.66Å; K54-T56 VanDerWaalsContact C-N 3.3Å; K54-T56 PolarHBondContact O-N 2.77Å; T56-E58 PolarHBondContact O-N 3.02Å; T56-E58 VanDerWaalsContact OG1-CB 3.24Å; T56-E58 WeakPolarHBondContact OG1-CB 3.4Å; T56-E58 PolarHBondContact OG1-N 3.24Å
57G93.8Very high96.3Very high31 Ų3137.8 Ų37.832%0.3220%0.196SC..THydrogen-bonded Turntrans754.8-170.100000114Y53Y53-G57 WeakPolarHBondContact O-CA 3.4Å; Y53-G57 PolarHBondContact O-N 3.34Å
58E94.2Very high96.2Very high88 Ų8843.4 Ų43.441%0.41122%0.22SC..EExtended strand (participates in β ladder)trans-68.8140.7-179.2-173.9-179.3165.200111.7Y53 T56Y53-E58 PolarHBondContact N-O 2.88Å; T56-E58 PolarHBondContact O-N 3.02Å; T56-E58 VanDerWaalsContact OG1-CB 3.24Å; T56-E58 WeakPolarHBondContact OG1-CB 3.4Å; T56-E58 PolarHBondContact OG1-N 3.24Å
59H95Very high96.1Very high47 Ų4745.7 Ų45.722%0.21824%0.237CC..EExtended strand (participates in β ladder)trans-85.5130.3174.3-69.895.1000111.2L50 A51 F370L50-H59 HydrophobicContact CD1-CB 4.07Å; A51-H59 WeakPolarHBondContact O-CA 3.31Å; H59-F370 HydrophobicContact CB-CE1 4.45Å; H59-F370 HydrophobicContact CB-CZ 4.19Å; H59-F370 AromaticContact CD2-CD1 3.77Å; H59-F370 AromaticContact CD2-CG 3.75Å; H59-F370 AromaticContact CE1-CD2 3.15Å; H59-F370 WeakPolarHBondContact CE1-CD2 3.25Å; H59-F370 AromaticContact CE1-CE2 3.74Å; H59-F370 AromaticContact CE1-CG 3.37Å; H59-F370 WeakPolarHBondContact CE1-CG 3.23Å; H59-F370 AromaticContact CG-CD2 3.96Å; H59-F370 AromaticContact CG-CE2 3.86Å; H59-F370 AromaticContact CG-CZ 3.87Å; H59-F370 AromaticContact ND1-CD2 3.38Å; H59-F370 WeakPolarHBondContact ND1-CD2 3.42Å; H59-F370 AromaticContact ND1-CE2 3.43Å; H59-F370 WeakPolarHBondContact ND1-CE2 3.18Å; H59-F370 AromaticContact ND1-CG 3.85Å; H59-F370 AromaticContact ND1-CZ 3.94Å; H59-F370 WeakPolarHBondContact NE2-CB 3.15Å; H59-F370 AromaticContact NE2-CD1 3.79Å; H59-F370 AromaticContact NE2-CD2 3.63Å; H59-F370 AromaticContact NE2-CG 3.3Å; H59-F370 VanDerWaalsContact NE2-CG 3.3Å; H59-F370 WeakPolarHBondContact NE2-CG 3.13Å
60V96.9Very high96Very high1 Ų146.2 Ų46.21%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-130.1162.3-179.3-62.20000110.7F25 Y32 A51 I62 I109F25-V60 HydrophobicContact CD1-CG1 4.29Å; F25-V60 HydrophobicContact CE1-CG1 3.48Å; F25-V60 VanDerWaalsContact CE1-CG1 3.48Å; F25-V60 HydrophobicContact CZ-CG1 3.88Å; Y32-V60 HydrophobicContact CD1-CG2 4.1Å; Y32-V60 HydrophobicContact CE1-CG2 4.31Å; A51-V60 HydrophobicContact CB-CG2 4.12Å; A51-V60 PolarHBondContact N-O 2.94Å; A51-V60 PolarHBondContact O-N 2.77Å; V60-I62 HydrophobicContact CG2-CD1 4.4Å; V60-I62 HydrophobicContact CG2-CG1 4.06Å; V60-I109 HydrophobicContact CB-CG2 4.01Å; V60-I109 HydrophobicContact CG1-CG2 4.27Å; V60-I109 HydrophobicContact CG2-CG2 4.01Å
61A97.4Very high95.9Very high7 Ų749.7 Ų49.76%0.05826%0.263CS..EExtended strand (participates in β ladder)trans-99.7132.4166.200000109.6I38 V48 N49 T110I38-A61 HydrophobicContact CD1-CB 4.22Å; V48-A61 HydrophobicContact CG1-CB 4.49Å; N49-A61 CarbonylContact O-C 3.58Å; N49-A61 WeakPolarHBondContact O-CA 3.33Å; A61-T110 PolarHBondContact N-O 2.81Å; A61-T110 PolarHBondContact O-N 2.64Å
62I97.9Very high95.7Very high0 Ų056.4 Ų56.40%030%0.298CS..EExtended strand (participates in β ladder)trans-116.2114.1177.3-54-168.8000108.2Y32 L34 V48 N49 A51 V60 R64 W107 I109Y32-I62 HydrophobicContact CD1-CD1 3.63Å; Y32-I62 HydrophobicContact CE1-CD1 4.45Å; Y32-I62 HydrophobicContact CG-CD1 3.69Å; L34-I62 HydrophobicContact CD2-CB 4.43Å; L34-I62 HydrophobicContact CD2-CD1 4Å; V48-I62 CarbonylContact C-O 3.59Å; V48-I62 WeakPolarHBondContact CA-O 3.38Å; N49-I62 PolarHBondContact N-O 3.29Å; N49-I62 PolarHBondContact O-N 3.01Å; A51-I62 HydrophobicContact CB-CD1 3.37Å; A51-I62 HydrophobicContact CB-CG1 3.65Å; V60-I62 HydrophobicContact CG2-CD1 4.4Å; V60-I62 HydrophobicContact CG2-CG1 4.06Å; I62-R64 HydrophobicContact CG2-CG 3.64Å; I62-W107 HydrophobicContact CD1-CE3 4.07Å; I62-W107 HydrophobicContact CD1-CZ3 3.86Å; I62-W107 HydrophobicContact CG2-CB 4.39Å; I62-W107 HydrophobicContact CG2-CD2 3.81Å; I62-W107 HydrophobicContact CG2-CE3 3.62Å; I62-W107 HydrophobicContact CG2-CG 4.16Å; I62-W107 HydrophobicContact CG2-CZ3 4.19Å; I62-I109 HydrophobicContact CB-CD1 4.14Å; I62-I109 HydrophobicContact CD1-CD1 3.68Å; I62-I109 HydrophobicContact CG1-CD1 3.57Å; I62-I109 HydrophobicContact CG2-CD1 3.81Å
63R97.1Very high95.4Very high26 Ų2656.9 Ų56.910%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-89.8117.1169.4-60.3166.457.6-168.6-8.9107.8M46 V48 E81 Y96 W107 V108M46-R63 HydrophobicContact CG-CB 4.49Å; M46-R63 HydrophobicContact SD-CB 4.26Å; M46-R63 HydrophobicContact SD-CG 4.45Å; M46-R63 PolarHBondContact SD-NE 3.08Å; M46-R63 VanDerWaalsContact SD-NE 3.39Å; V48-R63 HydrophobicContact CG1-CG 4.01Å; V48-R63 HydrophobicContact CG2-CG 3.97Å; R63-E81 IonicContact CZ-OE1 3.48Å; R63-E81 VanDerWaalsContact CZ-OE1 3.3Å; R63-E81 IonicContact NH1-OE1 2.82Å; R63-E81 PolarHBondContact NH1-OE1 3.38Å; R63-E81 IonicContact NH2-OE1 2.81Å; R63-E81 PolarHBondContact NH2-OE1 3.05Å; R63-E81 IonicContact NH2-OE2 2.77Å; R63-Y96 PolarHBondContact NH1-OH 3.27Å; R63-W107 CarbonylContact O-C 3.5Å; R63-W107 WeakPolarHBondContact O-CA 3.31Å; R63-V108 HydrophobicContact CB-CB 4.24Å; R63-V108 PolarHBondContact N-O 2.81Å; R63-V108 PolarHBondContact O-N 3.42Å
64R97.7Very high95.1Very high47 Ų4757 Ų5718%0.17731%0.31CS..EExtended strand (participates in β ladder)trans-109.1127.1178.8-54.7-172.9-65132.8-4.8108.3M46 T47 N49 I62 E105 L106 W107M46-R64 CarbonylContact C-O 3.58Å; M46-R64 VanDerWaalsContact CA-O 3.31Å; M46-R64 WeakPolarHBondContact CA-O 3.14Å; T47-R64 PolarHBondContact N-O 2.96Å; T47-R64 PolarHBondContact O-N 3.08Å; N49-R64 PolarHBondContact OD1-NE 2.92Å; N49-R64 PolarHBondContact OD1-NH2 2.95Å; I62-R64 HydrophobicContact CG2-CG 3.64Å; R64-E105 WeakPolarHBondContact CD-OE2 3.47Å; R64-E105 IonicContact CZ-OE2 3.51Å; R64-E105 IonicContact NH1-OE1 2.81Å; R64-E105 PolarHBondContact NH1-OE1 3.08Å; R64-E105 IonicContact NH1-OE2 3.59Å; R64-E105 PolarHBondContact NH1-OE2 3.25Å; R64-L106 WeakPolarHBondContact CA-O 3.31Å; R64-W107 VanDerWaalsContact CD-CZ2 3.48Å; R64-W107 HydrophobicContact CG-CD2 4.12Å; R64-W107 HydrophobicContact CG-CG 4.13Å; R64-W107 HydrophobicContact CG-CZ2 4.35Å
65I97.2Very high94.9Very high1 Ų153.7 Ų53.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-124.8119.5-178.6-55.7169.9000107.6L42 L45 M46 L67 L78 E105 L106L42-I65 HydrophobicContact CD2-CG2 4.09Å; L45-I65 WeakPolarHBondContact O-CA 3.36Å; M46-I65 HydrophobicContact CB-CG1 3.93Å; M46-I65 HydrophobicContact CG-CD1 4.4Å; M46-I65 HydrophobicContact CG-CG1 3.72Å; M46-I65 HydrophobicContact SD-CD1 4.38Å; M46-I65 HydrophobicContact SD-CG1 4.33Å; I65-L67 PolarHBondContact O-N 2.85Å; I65-L78 HydrophobicContact CD1-CD1 4.27Å; I65-L78 HydrophobicContact CD1-CD2 3.7Å; I65-L78 HydrophobicContact CG2-CD1 3.92Å; I65-E105 CarbonylContact O-C 3.53Å; I65-E105 VanDerWaalsContact O-CA 3.23Å; I65-E105 WeakPolarHBondContact O-CA 3.41Å; I65-L106 HydrophobicContact CB-CB 4.35Å; I65-L106 HydrophobicContact CD1-CD2 4.3Å; I65-L106 PolarHBondContact N-O 3.46Å; I65-L106 PolarHBondContact O-N 2.84Å
66D96.1Very high94.7Very high47 Ų4754.3 Ų54.325%0.25130%0.301SS..EExtended strand (participates in β ladder)trans-67.8112.4175.3175.213.4000109.9L45 E68 S69 C70L45-D66 PolarHBondContact O-N 3.15Å; D66-E68 WeakPolarHBondContact OD1-CB 3.36Å; D66-E68 PolarHBondContact OD1-N 2.81Å; D66-S69 VanDerWaalsContact OD2-CB 3.24Å; D66-S69 WeakPolarHBondContact OD2-CB 3.38Å; D66-S69 PolarHBondContact OD2-OG 2.82Å; D66-C70 PolarHBondContact O-SG 2.89Å
67L95.2Very high94.4Very high46 Ų4651.5 Ų51.524%0.24128%0.281CS..SBendtrans-81-21.1-178.9-64.6177.4000112.7I65 S69 C70 V75 L78 I101 N104 L106I65-L67 PolarHBondContact O-N 2.85Å; L67-S69 VanDerWaalsContact C-N 3.31Å; L67-C70 WeakPolarHBondContact O-CB 3.28Å; L67-C70 PolarHBondContact O-N 2.87Å; L67-V75 HydrophobicContact CD2-CG2 4.44Å; L67-L78 HydrophobicContact CD2-CD1 4.26Å; L67-I101 HydrophobicContact CD1-CD1 3.6Å; L67-N104 WeakPolarHBondContact CB-O 3.37Å; L67-N104 PolarHBondContact N-O 2.92Å; L67-L106 HydrophobicContact CD1-CB 4.1Å; L67-L106 HydrophobicContact CD2-CB 3.94Å; L67-L106 HydrophobicContact CG-CB 4.08Å
68E94.2Very high94.3Very high151 Ų15150.2 Ų50.271%0.70627%0.266SS*.THydrogen-bonded Turntrans-69.9-35.5178.7-169.4170.1175.100110.9D66 C70 N104D66-E68 WeakPolarHBondContact OD1-CB 3.36Å; D66-E68 PolarHBondContact OD1-N 2.81Å; E68-C70 VanDerWaalsContact C-N 3.25Å; E68-C70 PolarHBondContact O-N 2.91Å; E68-N104 PolarHBondContact OE2-ND2 3.39Å
69S93.8Very high94.2Very high70 Ų7051.4 Ų51.449%0.4927%0.272SS..THydrogen-bonded Turntrans-79.7-0.7173.1-62.90000114D66 L67D66-S69 VanDerWaalsContact OD2-CB 3.24Å; D66-S69 WeakPolarHBondContact OD2-CB 3.38Å; D66-S69 PolarHBondContact OD2-OG 2.82Å; L67-S69 VanDerWaalsContact C-N 3.31Å
70C94.3Very high93.9Very high17 Ų1750.9 Ų50.912%0.11528%0.279CS..  trans-93.4137.1-179.5-750000112.5D66 L67 E68 M74 V75D66-C70 PolarHBondContact O-SG 2.89Å; L67-C70 WeakPolarHBondContact O-CB 3.28Å; L67-C70 PolarHBondContact O-N 2.87Å; E68-C70 VanDerWaalsContact C-N 3.25Å; E68-C70 PolarHBondContact O-N 2.91Å; C70-M74 HydrophobicContact CB-CB 4.16Å; C70-M74 HydrophobicContact CB-CG 4.13Å; C70-V75 HydrophobicContact CB-CG2 3.81Å
71T94.1Very high93.7Very high82 Ų8251 Ų5150%0.50328%0.28SS..  trans-71.8159.716767.40000111.2D73 M74 V75T71-D73 PolarHBondContact O-N 2.82Å; T71-M74 WeakPolarHBondContact O-CA 3.49Å; T71-M74 WeakPolarHBondContact O-CB 3.23Å; T71-M74 PolarHBondContact O-N 2.96Å; T71-M74 PolarHBondContact OG1-N 2.85Å; T71-V75 PolarHBondContact O-N 3.27Å
72N92.6Very high93.4Very high140 Ų14052.1 Ų52.175%0.74928%0.284SS*.Hα-helixtrans-56.2-36.7176.1-71.2-37.2000113.1V75 T76N72-V75 PolarHBondContact O-N 2.99Å; N72-T76 PolarHBondContact O-N 2.81Å; N72-T76 PolarHBondContact O-OG1 2.81Å
73D90.9Very high93.1Very high112 Ų11257.6 Ų57.660%0.59931%0.31SS*.Hα-helixtrans-67.1-40176-66.8-20.2000111.3T71 T76 Y77T71-D73 PolarHBondContact O-N 2.82Å; D73-T76 PolarHBondContact O-N 3.28Å; D73-Y77 WeakPolarHBondContact O-CB 3.49Å; D73-Y77 PolarHBondContact O-N 2.98Å
74M91.6Very high92.8Very high12 Ų1256.9 Ų56.96%0.05931%0.308CS..Hα-helixtrans-62.9-44.4174.4-17369.381.600111.5L42 C70 T71 T76 Y77 L78 Y199L42-M74 HydrophobicContact CD1-CE 3.87Å; L42-M74 HydrophobicContact CD1-SD 3.71Å; L42-M74 HydrophobicContact CD2-CG 4.43Å; L42-M74 HydrophobicContact CD2-SD 4Å; L42-M74 HydrophobicContact CG-CE 4.21Å; L42-M74 HydrophobicContact CG-SD 4.19Å; C70-M74 HydrophobicContact CB-CB 4.16Å; C70-M74 HydrophobicContact CB-CG 4.13Å; T71-M74 WeakPolarHBondContact O-CA 3.49Å; T71-M74 WeakPolarHBondContact O-CB 3.23Å; T71-M74 PolarHBondContact O-N 2.96Å; T71-M74 PolarHBondContact OG1-N 2.85Å; M74-T76 VanDerWaalsContact C-N 3.32Å; M74-T76 PolarHBondContact O-N 2.87Å; M74-Y77 WeakPolarHBondContact O-CB 3.3Å; M74-Y77 PolarHBondContact O-N 2.68Å; M74-Y77 HydrophobicContact SD-CD1 4.35Å; M74-L78 HydrophobicContact CG-CD1 4.4Å; M74-L78 WeakPolarHBondContact O-CG 3.37Å; M74-L78 PolarHBondContact O-N 3.46Å; M74-Y199 HydrophobicContact CE-CD1 3.45Å; M74-Y199 VanDerWaalsContact CE-CD1 3.45Å; M74-Y199 HydrophobicContact CE-CD2 4.1Å; M74-Y199 HydrophobicContact CE-CE1 3.19Å; M74-Y199 HydrophobicContact CE-CE2 3.89Å; M74-Y199 HydrophobicContact CE-CG 3.89Å; M74-Y199 VanDerWaalsContact CE-CZ 3.42Å; M74-Y199 HydrophobicContact SD-CD1 4.33Å; M74-Y199 HydrophobicContact SD-CD2 3.88Å; M74-Y199 HydrophobicContact SD-CE1 4.1Å; M74-Y199 HydrophobicContact SD-CE2 3.62Å; M74-Y199 HydrophobicContact SD-CG 4.22Å
75V93Very high92.5Very high39 Ų3955.2 Ų55.224%0.23630%0.304CS..Hα-helixtrans-61.1-43.5177.3175.40000110.7L67 C70 T71 N72 Y77 L78 Q79L67-V75 HydrophobicContact CD2-CG2 4.44Å; C70-V75 HydrophobicContact CB-CG2 3.81Å; T71-V75 PolarHBondContact O-N 3.27Å; N72-V75 PolarHBondContact O-N 2.99Å; V75-Y77 VanDerWaalsContact C-N 3.31Å; V75-Y77 PolarHBondContact O-N 3.34Å; V75-L78 PolarHBondContact O-N 2.87Å; V75-Q79 WeakPolarHBondContact O-CG 3.39Å; V75-Q79 PolarHBondContact O-N 2.86Å
76T90.9Very high92.1Very high87 Ų8761 Ų6153%0.53433%0.329SS..Hα-helixtrans-61.7-41175.8-60.10000111.3N72 D73 M74 Q79 G80N72-T76 PolarHBondContact O-N 2.81Å; N72-T76 PolarHBondContact O-OG1 2.81Å; D73-T76 PolarHBondContact O-N 3.28Å; M74-T76 VanDerWaalsContact C-N 3.32Å; M74-T76 PolarHBondContact O-N 2.87Å; T76-Q79 PolarHBondContact O-N 3.25Å; T76-G80 PolarHBondContact O-N 3.44Å; T76-G80 VanDerWaalsContact O-N 3.12Å
77Y88.9Confident91.9Very high31 Ų3162.5 Ų62.512%0.12234%0.337CS..Hα-helixtrans-62.9-42175.2-173.4-122000112.3D73 M74 V75 G80 E81 R178 S179 Q198 Y199D73-Y77 WeakPolarHBondContact O-CB 3.49Å; D73-Y77 PolarHBondContact O-N 2.98Å; M74-Y77 WeakPolarHBondContact O-CB 3.3Å; M74-Y77 PolarHBondContact O-N 2.68Å; M74-Y77 HydrophobicContact SD-CD1 4.35Å; V75-Y77 VanDerWaalsContact C-N 3.31Å; V75-Y77 PolarHBondContact O-N 3.34Å; Y77-G80 PolarHBondContact O-N 2.9Å; Y77-E81 PolarHBondContact O-N 2.96Å; Y77-R178 HydrophobicContact CD1-CG 3.86Å; Y77-R178 HydrophobicContact CE1-CG 3.45Å; Y77-R178 VanDerWaalsContact CE1-CG 3.45Å; Y77-R178 WeakPolarHBondContact CE2-O 3.45Å; Y77-R178 PolarHBondContact OH-O 3.29Å; Y77-S179 WeakPolarHBondContact OH-CA 3.3Å; Y77-Q198 PolarHBondContact OH-O 3.5Å; Y77-Q198 VanDerWaalsContact OH-O 3.09Å; Y77-Y199 AromaticContact CD1-CD2 3.62Å; Y77-Y199 HydrophobicContact CD1-CD2 3.62Å; Y77-Y199 AromaticContact CD1-CE2 3.93Å; Y77-Y199 HydrophobicContact CD1-CE2 3.93Å; Y77-Y199 AromaticContact CE1-CD2 3.63Å; Y77-Y199 HydrophobicContact CE1-CD2 3.63Å; Y77-Y199 HydrophobicContact CE1-CE2 4.39Å; Y77-Y199 HydrophobicContact CG-CD2 4.31Å; Y77-Y199 HydrophobicContact CG-CE2 4.28Å
78L92.1Very high91.9Very high3 Ų360.9 Ų60.92%0.01633%0.328CS..Hα-helixtrans-65-40174.2-68.4172.6000112.2L42 I65 L67 M74 V75 G80 E81 L82 L106L42-L78 HydrophobicContact CD2-CD2 4.16Å; I65-L78 HydrophobicContact CD1-CD1 4.27Å; I65-L78 HydrophobicContact CD1-CD2 3.7Å; I65-L78 HydrophobicContact CG2-CD1 3.92Å; L67-L78 HydrophobicContact CD2-CD1 4.26Å; M74-L78 HydrophobicContact CG-CD1 4.4Å; M74-L78 WeakPolarHBondContact O-CG 3.37Å; M74-L78 PolarHBondContact O-N 3.46Å; V75-L78 PolarHBondContact O-N 2.87Å; L78-G80 VanDerWaalsContact C-N 3.27Å; L78-G80 PolarHBondContact O-N 3.34Å; L78-E81 VanDerWaalsContact O-CB 3.29Å; L78-E81 WeakPolarHBondContact O-CB 3.15Å; L78-E81 PolarHBondContact O-N 3.12Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.31Å; L78-L106 HydrophobicContact CB-CD2 4.39Å; L78-L106 HydrophobicContact CD1-CD2 4.48Å
79Q91.4Very high91.9Very high114 Ų11460 Ų6053%0.53332%0.323SS..Hα-helixtrans-61.2-36.7175.6-73.2172.9-11.800112.2V75 T76 L82 H83V75-Q79 WeakPolarHBondContact O-CG 3.39Å; V75-Q79 PolarHBondContact O-N 2.86Å; T76-Q79 PolarHBondContact O-N 3.25Å; Q79-L82 PolarHBondContact O-N 2.9Å; Q79-H83 PolarHBondContact O-N 3.47Å
80G89.1Confident92.1Very high36 Ų3659 Ų5937%0.37131%0.311SS..Hα-helixtrans-58.8-44173.200000112.9T76 Y77 L78 L82 H83 V84T76-G80 PolarHBondContact O-N 3.44Å; T76-G80 VanDerWaalsContact O-N 3.12Å; Y77-G80 PolarHBondContact O-N 2.9Å; L78-G80 VanDerWaalsContact C-N 3.27Å; L78-G80 PolarHBondContact O-N 3.34Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 2.78Å; G80-H83 PolarHBondContact O-N 3.22Å; G80-V84 WeakPolarHBondContact O-CG2 3.37Å; G80-V84 PolarHBondContact O-N 2.92Å; G80-V84 VanDerWaalsContact O-N 3.13Å
81E92.1Very high92.2Very high4 Ų462.3 Ų62.32%0.01933%0.332CS..Hα-helixtrans-55.2-49.5174.2-176.1-178.5171.500111.3R63 Y77 L78 H83 V84 S85 Y96 L177 R178R63-E81 IonicContact CZ-OE1 3.48Å; R63-E81 VanDerWaalsContact CZ-OE1 3.3Å; R63-E81 IonicContact NH1-OE1 2.82Å; R63-E81 PolarHBondContact NH1-OE1 3.38Å; R63-E81 IonicContact NH2-OE1 2.81Å; R63-E81 PolarHBondContact NH2-OE1 3.05Å; R63-E81 IonicContact NH2-OE2 2.77Å; Y77-E81 PolarHBondContact O-N 2.96Å; L78-E81 VanDerWaalsContact O-CB 3.29Å; L78-E81 WeakPolarHBondContact O-CB 3.15Å; L78-E81 PolarHBondContact O-N 3.12Å; E81-H83 VanDerWaalsContact C-N 3.34Å; E81-H83 PolarHBondContact O-N 3.5Å; E81-V84 PolarHBondContact O-N 2.96Å; E81-S85 WeakPolarHBondContact O-CB 3.43Å; E81-S85 PolarHBondContact O-N 3.44Å; E81-Y96 HydrophobicContact CG-CE2 4.3Å; E81-Y96 PolarHBondContact OE1-OH 3.01Å; E81-L177 HydrophobicContact CG-CB 4.39Å; E81-R178 HydrophobicContact CB-CB 4.39Å; E81-R178 HydrophobicContact CB-CG 4.39Å; E81-R178 HydrophobicContact CG-CB 4.12Å; E81-R178 VanDerWaalsContact OE2-CB 3.27Å; E81-R178 WeakPolarHBondContact OE2-CB 3.45Å; E81-R178 VanDerWaalsContact OE2-CG 3.3Å; E81-R178 WeakPolarHBondContact OE2-CG 3.28Å; E81-R178 IonicContact OE2-CZ 3.02Å; E81-R178 IonicContact OE2-NE 2.66Å; E81-R178 PolarHBondContact OE2-NE 2.69Å; E81-R178 IonicContact OE2-NH2 3.12Å
82L92.1Very high92.4Very high29 Ų2959 Ų5915%0.15231%0.313CS..Hα-helixtrans-68.3-31.8-177.7-59-178.2000113.1L78 Q79 G80 S85 K86 Y96 V99 L106 V108L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.31Å; Q79-L82 PolarHBondContact O-N 2.9Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 2.78Å; L82-S85 PolarHBondContact O-OG 3.42Å; L82-K86 WeakPolarHBondContact O-CG 3.5Å; L82-Y96 HydrophobicContact CD2-CD2 4.15Å; L82-Y96 HydrophobicContact CD2-CE2 4.07Å; L82-V99 HydrophobicContact CD1-CG1 3.73Å; L82-V99 HydrophobicContact CD2-CG1 3.72Å; L82-V99 HydrophobicContact CD2-CG2 4.1Å; L82-V99 HydrophobicContact CG-CG1 4.31Å; L82-L106 HydrophobicContact CD1-CD1 4.06Å; L82-L106 HydrophobicContact CD1-CD2 4.09Å; L82-V108 HydrophobicContact CD2-CG2 3.93Å
83H91.1Very high92.6Very high116 Ų11652.8 Ų52.854%0.53728%0.279SS..Hα-helixtrans-65.2-50.1174.8178.674.8000110.4Q79 G80 E81 K86Q79-H83 PolarHBondContact O-N 3.47Å; G80-H83 PolarHBondContact O-N 3.22Å; E81-H83 VanDerWaalsContact C-N 3.34Å; E81-H83 PolarHBondContact O-N 3.5Å; H83-K86 PolarHBondContact O-N 3.18Å
84V90.6Very high92.9Very high10 Ų1047.8 Ų47.86%0.06125%0.252CS..Hα-helixtrans-69.7-36-177.3178.70000111.9G80 E81 K86 L87 F88 Y154 I180G80-V84 WeakPolarHBondContact O-CG2 3.37Å; G80-V84 PolarHBondContact O-N 2.92Å; G80-V84 VanDerWaalsContact O-N 3.13Å; E81-V84 PolarHBondContact O-N 2.96Å; V84-K86 PolarHBondContact O-N 3.44Å; V84-K86 VanDerWaalsContact O-N 3.16Å; V84-L87 WeakPolarHBondContact O-CB 3.36Å; V84-L87 PolarHBondContact O-N 2.9Å; V84-F88 HydrophobicContact CG1-CD1 4.34Å; V84-F88 HydrophobicContact CG1-CD2 3.94Å; V84-F88 HydrophobicContact CG1-CE1 3.94Å; V84-F88 HydrophobicContact CG1-CE2 3.53Å; V84-F88 HydrophobicContact CG1-CG 4.34Å; V84-F88 HydrophobicContact CG1-CZ 3.52Å; V84-F88 PolarHBondContact O-N 3.23Å; V84-Y154 HydrophobicContact CG1-CD1 4.33Å; V84-Y154 HydrophobicContact CG1-CE1 4.1Å; V84-Y154 HydrophobicContact CG2-CD1 4.4Å; V84-Y154 HydrophobicContact CG2-CE1 3.66Å; V84-I180 HydrophobicContact CB-CG2 3.92Å; V84-I180 HydrophobicContact CG1-CD1 3.85Å; V84-I180 HydrophobicContact CG1-CG2 3.77Å; V84-I180 HydrophobicContact CG2-CG2 3.83Å
85S90.4Very high93Very high12 Ų1249.7 Ų49.78%0.08427%0.266CS..Hα-helixtrans-60.2-27.2177.873.50000113.2E81 L82 Y96E81-S85 WeakPolarHBondContact O-CB 3.43Å; E81-S85 PolarHBondContact O-N 3.44Å; L82-S85 PolarHBondContact O-OG 3.42Å; S85-Y96 VanDerWaalsContact OG-CD2 3.28Å; S85-Y96 WeakPolarHBondContact OG-CD2 3.15Å
86K89.6Confident93.1Very high124 Ų12448.6 Ų48.654%0.53926%0.257SS..Hα-helixtrans-79.6-20.1175.7-68.8179.8-179.1179.80113.6M22 L82 H83 V84 H89M22-K86 HydrophobicContact CE-CD 4.23Å; M22-K86 HydrophobicContact CE-CG 3.95Å; L82-K86 WeakPolarHBondContact O-CG 3.5Å; H83-K86 PolarHBondContact O-N 3.18Å; V84-K86 PolarHBondContact O-N 3.44Å; V84-K86 VanDerWaalsContact O-N 3.16Å; K86-H89 PolarHBondContact O-CE1 3.02Å
87L92.2Very high93.3Very high78 Ų7846.3 Ų46.341%0.40824%0.239SC..Hα-helixtrans-82.2-33.9177.9-61.1176.9000111V84 H89 Y154V84-L87 WeakPolarHBondContact O-CB 3.36Å; V84-L87 PolarHBondContact O-N 2.9Å; L87-H89 PolarHBondContact O-ND1 2.91Å; L87-Y154 WeakPolarHBondContact CD1-OH 3.33Å
88F94.9Very high93.6Very high12 Ų1245.7 Ų45.75%0.05324%0.239CC..  trans-85.9125.2-171.6-68.8-6.7000113.4V84 I93 Y148 I149 M152 Y154 L177 I180V84-F88 HydrophobicContact CG1-CD1 4.34Å; V84-F88 HydrophobicContact CG1-CD2 3.94Å; V84-F88 HydrophobicContact CG1-CE1 3.94Å; V84-F88 HydrophobicContact CG1-CE2 3.53Å; V84-F88 HydrophobicContact CG1-CG 4.34Å; V84-F88 HydrophobicContact CG1-CZ 3.52Å; V84-F88 PolarHBondContact O-N 3.23Å; F88-I93 HydrophobicContact CB-CD1 4.34Å; F88-I93 HydrophobicContact CB-CG2 4.48Å; F88-I93 HydrophobicContact CD2-CD1 4.08Å; F88-I93 HydrophobicContact CD2-CG2 4.49Å; F88-I93 HydrophobicContact CG-CD1 4.41Å; F88-Y148 HydrophobicContact CB-CE1 4Å; F88-Y148 AromaticContact CD1-CE1 3.77Å; F88-Y148 HydrophobicContact CD1-CE1 3.77Å; F88-Y148 HydrophobicContact CE1-CE1 4.44Å; F88-Y148 AromaticContact CG-CE1 3.95Å; F88-Y148 HydrophobicContact CG-CE1 3.95Å; F88-I149 HydrophobicContact CD2-CG1 4.33Å; F88-I149 HydrophobicContact CE2-CD1 4.31Å; F88-I149 HydrophobicContact CE2-CG1 3.73Å; F88-I149 HydrophobicContact CE2-CG2 4.44Å; F88-I149 HydrophobicContact CZ-CG1 4.15Å; F88-I149 HydrophobicContact CZ-CG2 4.33Å; F88-M152 HydrophobicContact CD1-CG 4.47Å; F88-M152 HydrophobicContact CE1-CB 3.89Å; F88-M152 HydrophobicContact CE1-CG 4.19Å; F88-Y154 AromaticContact CE1-CD2 3.75Å; F88-Y154 HydrophobicContact CE1-CD2 3.75Å; F88-Y154 AromaticContact CE1-CE2 3.94Å; F88-Y154 HydrophobicContact CE1-CE2 3.94Å; F88-Y154 HydrophobicContact CE1-CG 4.32Å; F88-Y154 HydrophobicContact CZ-CD1 4.4Å; F88-Y154 AromaticContact CZ-CD2 3.69Å; F88-Y154 HydrophobicContact CZ-CD2 3.69Å; F88-Y154 HydrophobicContact CZ-CE2 4.23Å; F88-Y154 AromaticContact CZ-CG 3.8Å; F88-Y154 HydrophobicContact CZ-CG 3.8Å; F88-L177 HydrophobicContact CD2-CD1 4.46Å; F88-L177 HydrophobicContact CD2-CD2 4.24Å; F88-L177 HydrophobicContact CE2-CD2 4.32Å; F88-I180 HydrophobicContact CD2-CD1 4.41Å; F88-I180 HydrophobicContact CE2-CD1 3.19Å; F88-I180 HydrophobicContact CZ-CD1 3.45Å; F88-I180 VanDerWaalsContact CZ-CD1 3.45Å
89H94.6Very high93.7Very high133 Ų13347.6 Ų47.662%0.61625%0.251SS*.  trans-134.895176-63.583.9000108.6K86 L87 Y148K86-H89 PolarHBondContact O-CE1 3.02Å; L87-H89 PolarHBondContact O-ND1 2.91Å; H89-Y148 PolarHBondContact N-OH 2.88Å
90H97.3Very high94Very high48 Ų4843.2 Ų43.222%0.22223%0.23CC..  trans-150.8137.8-178.6-174.6-95.2000111S92 I93 K144 Y148H90-S92 PolarHBondContact ND1-N 3.2Å; H90-S92 VanDerWaalsContact ND1-N 3.12Å; H90-S92 PolarHBondContact O-N 3.5Å; H90-I93 HydrophobicContact CB-CB 4.36Å; H90-I93 HydrophobicContact CB-CD1 3.88Å; H90-I93 HydrophobicContact CB-CG1 4.06Å; H90-I93 PolarHBondContact O-N 3.15Å; H90-K144 PolarHBondContact CE1-O 2.94Å; H90-Y148 HydrophobicContact CB-CD1 3.96Å; H90-Y148 HydrophobicContact CB-CD2 4.08Å; H90-Y148 HydrophobicContact CB-CE1 4.23Å; H90-Y148 HydrophobicContact CB-CE2 4.34Å; H90-Y148 HydrophobicContact CB-CG 3.88Å; H90-Y148 AromaticContact CD2-CD2 3.89Å; H90-Y148 AromaticContact CD2-CG 3.99Å; H90-Y148 AromaticContact CG-CG 3.97Å
91P96.4Very high94.4Very high87 Ų8746.1 Ų46.157%0.56524%0.236SC*.THydrogen-bonded Turntrans-61-17.6-176.3-25.734.7000115.9Q171 C173P91-Q171 PolarHBondContact O-NE2 3.13Å; P91-C173 PolarHBondContact O-SG 2.95Å
92S97.8Very high94.5Very high13 Ų1346.2 Ų46.29%0.09124%0.237CC..THydrogen-bonded Turntrans-106.514.7177.5-54.70000113.3H90 G141 A145 M174H90-S92 PolarHBondContact ND1-N 3.2Å; H90-S92 VanDerWaalsContact ND1-N 3.12Å; H90-S92 PolarHBondContact O-N 3.5Å; S92-G141 VanDerWaalsContact CB-O 3.29Å; S92-G141 WeakPolarHBondContact CB-O 3.42Å; S92-A145 VanDerWaalsContact O-CB 3.3Å; S92-A145 WeakPolarHBondContact O-CB 3.09Å; S92-M174 PolarHBondContact O-N 2.95Å
93I98Very high94.5Very high8 Ų853.4 Ų53.44%0.04127%0.27CS..BIsolated β-bridgetrans-117.5131.6171.8-62.2175.9000107.7F88 H90 P95 A145 Y148 I149 L177F88-I93 HydrophobicContact CB-CD1 4.34Å; F88-I93 HydrophobicContact CB-CG2 4.48Å; F88-I93 HydrophobicContact CD2-CD1 4.08Å; F88-I93 HydrophobicContact CD2-CG2 4.49Å; F88-I93 HydrophobicContact CG-CD1 4.41Å; H90-I93 HydrophobicContact CB-CB 4.36Å; H90-I93 HydrophobicContact CB-CD1 3.88Å; H90-I93 HydrophobicContact CB-CG1 4.06Å; H90-I93 PolarHBondContact O-N 3.15Å; I93-P95 VanDerWaalsContact O-CD 3.26Å; I93-P95 WeakPolarHBondContact O-CD 3.35Å; I93-A145 HydrophobicContact CG1-CB 3.91Å; I93-Y148 HydrophobicContact CD1-CD1 3.53Å; I93-Y148 HydrophobicContact CD1-CE1 4.06Å; I93-Y148 HydrophobicContact CD1-CG 4.41Å; I93-I149 HydrophobicContact CD1-CD1 3.96Å; I93-I149 HydrophobicContact CD1-CG1 3.69Å; I93-I149 HydrophobicContact CG1-CD1 4.48Å; I93-L177 HydrophobicContact CG2-CD1 4.16Å; I93-L177 HydrophobicContact CG2-CD2 4.26Å
94L96.4Very high94.6Very high7 Ų752.1 Ų52.14%0.03727%0.268CS..  trans-62.7115.3-179.6-177.772.5000110.5T110 M113 L165 M174L94-T110 HydrophobicContact CD2-CG2 3.91Å; L94-T110 HydrophobicContact CG-CG2 4.22Å; L94-M113 HydrophobicContact CD1-CE 3.27Å; L94-M113 HydrophobicContact CD1-CG 4.22Å; L94-L165 HydrophobicContact CD1-CD1 4.12Å; L94-L165 HydrophobicContact CD2-CD1 3.74Å; L94-L165 HydrophobicContact CG-CD1 4.46Å; L94-M174 PolarHBondContact N-O 3.23Å
95P94.8Very high94.9Very high53 Ų5353.9 Ų53.934%0.34428%0.275SS..  trans-78.1145.9-178.531.9-34.7000111.5I93 P111I93-P95 VanDerWaalsContact O-CD 3.26Å; I93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-P111 HydrophobicContact CG-CG 3.82Å; P95-P111 WeakPolarHBondContact O-CD 3.08Å
96Y94.8Very high95.3Very high15 Ų1554 Ų546%0.05927%0.274CS..  trans-95.7111.8173.3-72.320.9000107.5R63 E81 L82 S85 V99 V108 T110 L177R63-Y96 PolarHBondContact NH1-OH 3.27Å; E81-Y96 HydrophobicContact CG-CE2 4.3Å; E81-Y96 PolarHBondContact OE1-OH 3.01Å; L82-Y96 HydrophobicContact CD2-CD2 4.15Å; L82-Y96 HydrophobicContact CD2-CE2 4.07Å; S85-Y96 VanDerWaalsContact OG-CD2 3.28Å; S85-Y96 WeakPolarHBondContact OG-CD2 3.15Å; Y96-V99 HydrophobicContact CD2-CG2 4.12Å; Y96-V108 HydrophobicContact CD1-CG1 4.25Å; Y96-V108 HydrophobicContact CD2-CG1 3.36Å; Y96-V108 HydrophobicContact CE1-CG1 4.4Å; Y96-V108 HydrophobicContact CE2-CG1 3.53Å; Y96-V108 HydrophobicContact CG-CG1 3.77Å; Y96-T110 HydrophobicContact CD1-CG2 3.86Å; Y96-T110 HydrophobicContact CE1-CG2 4.19Å; Y96-L177 HydrophobicContact CE1-CD1 4.46Å
97R94.1Very high95.7Very high39 Ų3948.9 Ų48.915%0.14725%0.252CS..  trans-78.4-42-172.6-67.1-68.5-173.3168.5-1.9112D20 F25 I109 P111D20-R97 VanDerWaalsContact CG-NH2 3.31Å; D20-R97 IonicContact OD1-CZ 3.71Å; D20-R97 IonicContact OD1-NH1 3.3Å; D20-R97 PolarHBondContact OD1-NH1 3.22Å; D20-R97 IonicContact OD1-NH2 3.56Å; D20-R97 PolarHBondContact OD1-NH2 3.35Å; D20-R97 IonicContact OD2-CZ 3.68Å; D20-R97 IonicContact OD2-NH1 2.78Å; D20-R97 PolarHBondContact OD2-NH1 3.08Å; D20-R97 IonicContact OD2-NH2 2.85Å; D20-R97 PolarHBondContact OD2-NH2 3.3Å; F25-R97 HydrophobicContact CD2-CB 3.56Å; F25-R97 HydrophobicContact CD2-CG 4.04Å; F25-R97 HydrophobicContact CE2-CB 3.95Å; F25-R97 HydrophobicContact CE2-CG 3.89Å; F25-R97 HydrophobicContact CG-CB 4.22Å; R97-I109 HydrophobicContact CB-CG2 4.44Å; R97-I109 WeakPolarHBondContact CB-O 3.31Å; R97-I109 PolarHBondContact N-O 3.47Å; R97-P111 HydrophobicContact CG-CG 4.34Å
98S95.1Very high95.9Very high18 Ų1845.2 Ų45.213%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-152.9149.2176.1-170.90000109.7F25 I109F25-S98 WeakPolarHBondContact O-CB 3.34Å; F25-S98 PolarHBondContact O-OG 2.85Å; S98-I109 PolarHBondContact O-N 3.31Å
99V95.6Very high96Very high44 Ų4444.6 Ų44.627%0.26723%0.23SC..EExtended strand (participates in β ladder)trans-144125.6179.3-177.10000108.6L82 Y96 L106 W107 V108L82-V99 HydrophobicContact CD1-CG1 3.73Å; L82-V99 HydrophobicContact CD2-CG1 3.72Å; L82-V99 HydrophobicContact CD2-CG2 4.1Å; L82-V99 HydrophobicContact CG-CG1 4.31Å; Y96-V99 HydrophobicContact CD2-CG2 4.12Å; V99-L106 HydrophobicContact CG1-CD1 3.7Å; V99-W107 VanDerWaalsContact CA-O 3.31Å; V99-W107 WeakPolarHBondContact CA-O 3.38Å; V99-V108 HydrophobicContact CG1-CG2 4.1Å; V99-V108 HydrophobicContact CG2-CG1 4.21Å; V99-V108 HydrophobicContact CG2-CG2 4.32Å
100F96.4Very high96.1Very high21 Ų2138.5 Ų38.59%0.09220%0.202CC..EExtended strand (participates in β ladder)trans-158.6167.6-177.758.9-83.1000111.2P27 Y32 A102 W107 I109P27-F100 VanDerWaalsContact CA-CD1 3.46Å; P27-F100 HydrophobicContact CB-CB 3.78Å; P27-F100 HydrophobicContact CB-CD1 3.87Å; P27-F100 HydrophobicContact CB-CG 3.86Å; Y32-F100 HydrophobicContact CD2-CZ 4.16Å; Y32-F100 AromaticContact CE2-CE1 3.95Å; Y32-F100 HydrophobicContact CE2-CE1 3.95Å; Y32-F100 AromaticContact CE2-CZ 3.68Å; Y32-F100 HydrophobicContact CE2-CZ 3.68Å; F100-A102 HydrophobicContact CD2-CB 4.39Å; F100-A102 HydrophobicContact CE2-CB 4.1Å; F100-W107 HydrophobicContact CE1-CB 4.38Å; F100-W107 HydrophobicContact CE2-CB 4.25Å; F100-W107 HydrophobicContact CE2-CD2 4.4Å; F100-W107 HydrophobicContact CE2-CE3 4.09Å; F100-W107 HydrophobicContact CE2-CG 4.5Å; F100-W107 HydrophobicContact CZ-CB 4.19Å; F100-W107 HydrophobicContact CZ-CD2 4.39Å; F100-W107 AromaticContact CZ-CE3 3.74Å; F100-W107 HydrophobicContact CZ-CE3 3.74Å; F100-W107 PolarHBondContact N-O 2.94Å; F100-W107 VanDerWaalsContact N-O 3.08Å; F100-W107 PolarHBondContact O-N 3.3Å; F100-I109 HydrophobicContact CE1-CD1 4.1Å; F100-I109 HydrophobicContact CE1-CG1 3.94Å
101I97.1Very high96.1Very high97 Ų9737.4 Ų37.450%0.49720%0.199SC..EExtended strand (participates in β ladder)trans-93.9131.1172.8-56.1-51.8000108.3L67 E103 E105 L106L67-I101 HydrophobicContact CD1-CD1 3.6Å; I101-E103 WeakPolarHBondContact CG2-O 3.38Å; I101-E105 WeakPolarHBondContact CA-O 3.32Å; I101-L106 HydrophobicContact CD1-CB 4.05Å; I101-L106 HydrophobicContact CD1-CD1 3.81Å
102A96.1Very high96Very high6 Ų634.8 Ų34.85%0.0518%0.179CC..EExtended strand (participates in β ladder)trans-122.8115171.800000107.7F100 N104 E105 W107F100-A102 HydrophobicContact CD2-CB 4.39Å; F100-A102 HydrophobicContact CE2-CB 4.1Å; A102-N104 PolarHBondContact O-N 2.78Å; A102-N104 VanDerWaalsContact O-N 3.12Å; A102-E105 PolarHBondContact N-O 2.83Å; A102-E105 PolarHBondContact O-N 2.84Å; A102-W107 HydrophobicContact CB-CD2 3.97Å; A102-W107 HydrophobicContact CB-CG 4.04Å; A102-W107 HydrophobicContact CB-CZ2 4.33Å
103E92.1Very high95.9Very high180 Ų18034.8 Ų34.884%0.84118%0.178SC*.THydrogen-bonded Turntrans53.9-115.5-171.7-57.5172.1-173.100110.3I101I101-E103 WeakPolarHBondContact CG2-O 3.38Å
104N93.1Very high95.7Very high90 Ų9034.7 Ų34.748%0.48118%0.178SC..THydrogen-bonded Turntrans-103.810178.1-67.212.2000112.9L67 E68 A102L67-N104 WeakPolarHBondContact CB-O 3.37Å; L67-N104 PolarHBondContact N-O 2.92Å; E68-N104 PolarHBondContact OE2-ND2 3.39Å; A102-N104 PolarHBondContact O-N 2.78Å; A102-N104 VanDerWaalsContact O-N 3.12Å
105E96.9Very high95.6Very high47 Ų4735.2 Ų35.222%0.2218%0.18CC..EExtended strand (participates in β ladder)trans-108.6138.2-178.1-62.4-174.6139.300112.4R64 I65 I101 A102 W107R64-E105 WeakPolarHBondContact CD-OE2 3.47Å; R64-E105 IonicContact CZ-OE2 3.51Å; R64-E105 IonicContact NH1-OE1 2.81Å; R64-E105 PolarHBondContact NH1-OE1 3.08Å; R64-E105 IonicContact NH1-OE2 3.59Å; R64-E105 PolarHBondContact NH1-OE2 3.25Å; I65-E105 CarbonylContact O-C 3.53Å; I65-E105 VanDerWaalsContact O-CA 3.23Å; I65-E105 WeakPolarHBondContact O-CA 3.41Å; I101-E105 WeakPolarHBondContact CA-O 3.32Å; A102-E105 PolarHBondContact N-O 2.83Å; A102-E105 PolarHBondContact O-N 2.84Å; E105-W107 PolarHBondContact OE2-NE1 3.43Å
106L97.4Very high95.7Very high13 Ų1333.7 Ų33.77%0.06817%0.173CC..EExtended strand (participates in β ladder)trans-79.2119.5162.5170.863.7000109.3R64 I65 L67 L78 L82 V99 I101 V108R64-L106 WeakPolarHBondContact CA-O 3.31Å; I65-L106 HydrophobicContact CB-CB 4.35Å; I65-L106 HydrophobicContact CD1-CD2 4.3Å; I65-L106 PolarHBondContact N-O 3.46Å; I65-L106 PolarHBondContact O-N 2.84Å; L67-L106 HydrophobicContact CD1-CB 4.1Å; L67-L106 HydrophobicContact CD2-CB 3.94Å; L67-L106 HydrophobicContact CG-CB 4.08Å; L78-L106 HydrophobicContact CB-CD2 4.39Å; L78-L106 HydrophobicContact CD1-CD2 4.48Å; L82-L106 HydrophobicContact CD1-CD1 4.06Å; L82-L106 HydrophobicContact CD1-CD2 4.09Å; V99-L106 HydrophobicContact CG1-CD1 3.7Å; I101-L106 HydrophobicContact CD1-CB 4.05Å; I101-L106 HydrophobicContact CD1-CD1 3.81Å; L106-V108 HydrophobicContact CG-CG2 4.3Å
107W98Very high95.8Very high17 Ų1733.2 Ų33.26%0.06417%0.173CC..EExtended strand (participates in β ladder)trans-102.8127.2176-7735.1000110.7Y32 L34 I62 R63 R64 V99 F100 A102 E105 I109Y32-W107 HydrophobicContact CD2-CZ3 4.2Å; Y32-W107 HydrophobicContact CG-CZ3 4.38Å; L34-W107 HydrophobicContact CD1-CH2 4.05Å; L34-W107 HydrophobicContact CD1-CZ2 4.14Å; L34-W107 HydrophobicContact CD2-CH2 4.01Å; L34-W107 HydrophobicContact CD2-CZ3 4.41Å; L34-W107 HydrophobicContact CG-CH2 4.13Å; I62-W107 HydrophobicContact CD1-CE3 4.07Å; I62-W107 HydrophobicContact CD1-CZ3 3.86Å; I62-W107 HydrophobicContact CG2-CB 4.39Å; I62-W107 HydrophobicContact CG2-CD2 3.81Å; I62-W107 HydrophobicContact CG2-CE3 3.62Å; I62-W107 HydrophobicContact CG2-CG 4.16Å; I62-W107 HydrophobicContact CG2-CZ3 4.19Å; R63-W107 CarbonylContact O-C 3.5Å; R63-W107 WeakPolarHBondContact O-CA 3.31Å; R64-W107 VanDerWaalsContact CD-CZ2 3.48Å; R64-W107 HydrophobicContact CG-CD2 4.12Å; R64-W107 HydrophobicContact CG-CG 4.13Å; R64-W107 HydrophobicContact CG-CZ2 4.35Å; V99-W107 VanDerWaalsContact CA-O 3.31Å; V99-W107 WeakPolarHBondContact CA-O 3.38Å; F100-W107 HydrophobicContact CE1-CB 4.38Å; F100-W107 HydrophobicContact CE2-CB 4.25Å; F100-W107 HydrophobicContact CE2-CD2 4.4Å; F100-W107 HydrophobicContact CE2-CE3 4.09Å; F100-W107 HydrophobicContact CE2-CG 4.5Å; F100-W107 HydrophobicContact CZ-CB 4.19Å; F100-W107 HydrophobicContact CZ-CD2 4.39Å; F100-W107 AromaticContact CZ-CE3 3.74Å; F100-W107 HydrophobicContact CZ-CE3 3.74Å; F100-W107 PolarHBondContact N-O 2.94Å; F100-W107 VanDerWaalsContact N-O 3.08Å; F100-W107 PolarHBondContact O-N 3.3Å; A102-W107 HydrophobicContact CB-CD2 3.97Å; A102-W107 HydrophobicContact CB-CG 4.04Å; A102-W107 HydrophobicContact CB-CZ2 4.33Å; E105-W107 PolarHBondContact OE2-NE1 3.43Å; W107-I109 HydrophobicContact CE3-CD1 4.38Å
108V97.1Very high95.9Very high1 Ų131.4 Ų31.41%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-121115.3173.7178.30000108.9R63 L82 Y96 V99 L106 T110R63-V108 HydrophobicContact CB-CB 4.24Å; R63-V108 PolarHBondContact N-O 2.81Å; R63-V108 PolarHBondContact O-N 3.42Å; L82-V108 HydrophobicContact CD2-CG2 3.93Å; Y96-V108 HydrophobicContact CD1-CG1 4.25Å; Y96-V108 HydrophobicContact CD2-CG1 3.36Å; Y96-V108 HydrophobicContact CE1-CG1 4.4Å; Y96-V108 HydrophobicContact CE2-CG1 3.53Å; Y96-V108 HydrophobicContact CG-CG1 3.77Å; V99-V108 HydrophobicContact CG1-CG2 4.1Å; V99-V108 HydrophobicContact CG2-CG1 4.21Å; V99-V108 HydrophobicContact CG2-CG2 4.32Å; L106-V108 HydrophobicContact CG-CG2 4.3Å; V108-T110 HydrophobicContact CG1-CG2 4.16Å
109I97.7Very high96Very high0 Ų033.3 Ų33.30%017%0.17CC..EExtended strand (participates in β ladder)trans-94.2126.3-178.9-43.9-59.1000109.4F25 Y32 V60 I62 R97 S98 F100 W107F25-I109 HydrophobicContact CD1-CG2 4.42Å; Y32-I109 HydrophobicContact CD1-CD1 4.37Å; Y32-I109 HydrophobicContact CE1-CD1 3.96Å; Y32-I109 HydrophobicContact CE1-CG1 4.16Å; Y32-I109 HydrophobicContact CE1-CG2 4.05Å; Y32-I109 HydrophobicContact CE2-CD1 4.44Å; V60-I109 HydrophobicContact CB-CG2 4.01Å; V60-I109 HydrophobicContact CG1-CG2 4.27Å; V60-I109 HydrophobicContact CG2-CG2 4.01Å; I62-I109 HydrophobicContact CB-CD1 4.14Å; I62-I109 HydrophobicContact CD1-CD1 3.68Å; I62-I109 HydrophobicContact CG1-CD1 3.57Å; I62-I109 HydrophobicContact CG2-CD1 3.81Å; R97-I109 HydrophobicContact CB-CG2 4.44Å; R97-I109 WeakPolarHBondContact CB-O 3.31Å; R97-I109 PolarHBondContact N-O 3.47Å; S98-I109 PolarHBondContact O-N 3.31Å; F100-I109 HydrophobicContact CE1-CD1 4.1Å; F100-I109 HydrophobicContact CE1-CG1 3.94Å; W107-I109 HydrophobicContact CE3-CD1 4.38Å
110T96.7Very high95.9Very high4 Ų434.7 Ų34.73%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-131.7162176.268.40000110.7A61 L94 Y96 V108A61-T110 PolarHBondContact N-O 2.81Å; A61-T110 PolarHBondContact O-N 2.64Å; L94-T110 HydrophobicContact CD2-CG2 3.91Å; L94-T110 HydrophobicContact CG-CG2 4.22Å; Y96-T110 HydrophobicContact CD1-CG2 3.86Å; Y96-T110 HydrophobicContact CE1-CG2 4.19Å; V108-T110 HydrophobicContact CG1-CG2 4.16Å
111P95.8Very high95.9Very high26 Ų2633.8 Ų33.817%0.16917%0.172CC..EExtended strand (participates in β ladder)trans-55143.9168.8-21.933.5000111.1P95 R97 M113P95-P111 HydrophobicContact CG-CG 3.82Å; P95-P111 WeakPolarHBondContact O-CD 3.08Å; R97-P111 HydrophobicContact CG-CG 4.34Å; P111-M113 HydrophobicContact CB-CE 4.29Å
112F95.6Very high95.8Very high32 Ų3229.3 Ų29.314%0.1415%0.149CC..  trans-77.9124172.8177.6-120.8000110.5I38 L50 A114 I367 F370I38-F112 HydrophobicContact CD1-CD2 4.17Å; I38-F112 HydrophobicContact CD1-CE2 3.96Å; L50-F112 HydrophobicContact CD1-CB 4.42Å; L50-F112 HydrophobicContact CD1-CD1 3.98Å; L50-F112 HydrophobicContact CD1-CD2 3.72Å; L50-F112 HydrophobicContact CD1-CE1 4.13Å; L50-F112 HydrophobicContact CD1-CE2 3.9Å; L50-F112 HydrophobicContact CD1-CG 3.76Å; L50-F112 HydrophobicContact CD1-CZ 4.09Å; F112-A114 HydrophobicContact CD1-CB 4.34Å; F112-A114 HydrophobicContact CE1-CB 3.93Å; F112-I367 HydrophobicContact CE1-CB 4.16Å; F112-I367 HydrophobicContact CE1-CG2 4.31Å; F112-I367 HydrophobicContact CZ-CB 3.97Å; F112-I367 HydrophobicContact CZ-CD1 4.25Å; F112-I367 HydrophobicContact CZ-CG2 4.12Å; F112-F370 HydrophobicContact CD1-CE1 4.27Å; F112-F370 HydrophobicContact CD1-CZ 4.08Å; F112-F370 AromaticContact CE1-CE1 3.75Å; F112-F370 HydrophobicContact CE1-CE1 3.75Å; F112-F370 AromaticContact CE1-CZ 3.78Å; F112-F370 HydrophobicContact CE1-CZ 3.78Å; F112-F370 HydrophobicContact CZ-CE1 4.43Å
113M95.6Very high95.6Very high13 Ų1332.6 Ų32.66%0.06417%0.171CC..  trans-99.497.1-179.5-62.1-67.8-177.800108.5L94 P111 Y115 G116 L165 I166 C173L94-M113 HydrophobicContact CD1-CE 3.27Å; L94-M113 HydrophobicContact CD1-CG 4.22Å; P111-M113 HydrophobicContact CB-CE 4.29Å; M113-Y115 VanDerWaalsContact C-N 3.28Å; M113-Y115 PolarHBondContact O-N 3.13Å; M113-G116 WeakPolarHBondContact O-CA 3.29Å; M113-G116 PolarHBondContact O-N 2.98Å; M113-L165 HydrophobicContact CB-CB 3.75Å; M113-L165 HydrophobicContact CB-CD1 4.43Å; M113-L165 HydrophobicContact CG-CB 3.59Å; M113-L165 HydrophobicContact CG-CD1 3.94Å; M113-L165 HydrophobicContact CG-CG 4.38Å; M113-L165 HydrophobicContact SD-CB 4.47Å; M113-I166 CarbonylContact C-O 3.54Å; M113-I166 VanDerWaalsContact C-O 3.29Å; M113-C173 HydrophobicContact CE-CB 3.79Å
114A93.9Very high95.5Very high6 Ų628.4 Ų28.45%0.0516%0.158CC..THydrogen-bonded Turntrans-66.1-19.9-161.600000116.2F112 G116 I166 A168 P366 I367F112-A114 HydrophobicContact CD1-CB 4.34Å; F112-A114 HydrophobicContact CE1-CB 3.93Å; A114-G116 VanDerWaalsContact C-N 3.33Å; A114-I166 PolarHBondContact N-O 3.43Å; A114-A168 HydrophobicContact CB-CB 3.81Å; A114-P366 HydrophobicContact CB-CB 3.81Å; A114-I367 WeakPolarHBondContact O-CG1 3.3Å; A114-I367 PolarHBondContact O-N 2.96Å
115Y94.4Very high95.5Very high18 Ų1829 Ų297%0.07116%0.158CC..THydrogen-bonded Turntrans-90.21.1171.3-72-78.7000112.8M113 L121 I166 S167 L361 V364 P366M113-Y115 VanDerWaalsContact C-N 3.28Å; M113-Y115 PolarHBondContact O-N 3.13Å; Y115-L121 HydrophobicContact CD1-CD2 4.42Å; Y115-I166 HydrophobicContact CD2-CG2 4Å; Y115-I166 PolarHBondContact N-O 3.46Å; Y115-I166 VanDerWaalsContact N-O 3.09Å; Y115-S167 WeakPolarHBondContact CD2-O 3.29Å; Y115-L361 HydrophobicContact CD1-CD1 3.94Å; Y115-L361 HydrophobicContact CD2-CD1 4.1Å; Y115-L361 HydrophobicContact CE1-CB 4.16Å; Y115-L361 HydrophobicContact CE1-CD1 4.04Å; Y115-L361 HydrophobicContact CE2-CD1 4.21Å; Y115-L361 HydrophobicContact CG-CD1 3.97Å; Y115-V364 HydrophobicContact CD1-CG1 4.1Å; Y115-V364 HydrophobicContact CE1-CG1 4.4Å; Y115-P366 HydrophobicContact CD1-CB 4.37Å; Y115-P366 HydrophobicContact CD2-CB 4.22Å; Y115-P366 HydrophobicContact CE1-CB 4.03Å; Y115-P366 HydrophobicContact CE1-CG 4.36Å; Y115-P366 HydrophobicContact CE2-CB 3.86Å; Y115-P366 HydrophobicContact CE2-CG 4.3Å; Y115-P366 HydrophobicContact CG-CB 4.46Å; Y115-P366 WeakPolarHBondContact OH-CD 3.33Å
116G95Very high95.3Very high20 Ų2028.3 Ų28.321%0.20615%0.154CC..  trans67.6-148.7-174.600000112M113 A114 L165 I166M113-G116 WeakPolarHBondContact O-CA 3.29Å; M113-G116 PolarHBondContact O-N 2.98Å; A114-G116 VanDerWaalsContact C-N 3.33Å; G116-L165 WeakPolarHBondContact O-CA 3.46Å; G116-I166 PolarHBondContact O-N 2.74Å
117S97Very high95.1Very high6 Ų631.5 Ų31.54%0.04218%0.177CC..BIsolated β-bridgetrans-88.4158.4175.774.50000112.9R119 D120 L121 V164S117-R119 PolarHBondContact O-N 2.8Å; S117-R119 PolarHBondContact OG-N 3.42Å; S117-D120 WeakPolarHBondContact CA-OD2 3.49Å; S117-D120 VanDerWaalsContact CB-OD2 3.29Å; S117-D120 WeakPolarHBondContact CB-OD2 3.48Å; S117-D120 PolarHBondContact N-OD2 2.84Å; S117-D120 WeakPolarHBondContact O-CB 3.09Å; S117-D120 PolarHBondContact O-N 3.28Å; S117-D120 PolarHBondContact OG-N 3.15Å; S117-D120 VanDerWaalsContact OG-N 3.13Å; S117-D120 PolarHBondContact OG-OD2 3.31Å; S117-L121 PolarHBondContact O-N 3.05Å; S117-L121 VanDerWaalsContact O-N 3.1Å; S117-V164 CarbonylContact C-O 3.51Å; S117-V164 WeakPolarHBondContact CA-O 3.49Å; S117-V164 WeakPolarHBondContact CB-O 3.46Å
118A97.9Very high94.8Very high0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-59.2-28.7171.700000111.9I122 M130 I138 A161 V164 L235A118-I122 VanDerWaalsContact O-CG1 3.29Å; A118-I122 WeakPolarHBondContact O-CG1 3.45Å; A118-I122 PolarHBondContact O-N 3.1Å; A118-M130 HydrophobicContact CB-CE 4.35Å; A118-I138 HydrophobicContact CB-CD1 4.45Å; A118-A161 HydrophobicContact CB-CB 4.16Å; A118-A161 PolarHBondContact N-O 2.93Å; A118-V164 HydrophobicContact CB-CB 4.04Å; A118-V164 HydrophobicContact CB-CG1 4.25Å; A118-V164 PolarHBondContact N-O 2.91Å; A118-L235 HydrophobicContact CB-CD2 3.69Å
119R96.4Very high94.7Very high58 Ų5835 Ų3522%0.21920%0.2CC..Hα-helixtrans-66.1-41.6171.6-178.466.7-172.416016.8112.2S117 L121 I122 C123 A161 E234S117-R119 PolarHBondContact O-N 2.8Å; S117-R119 PolarHBondContact OG-N 3.42Å; R119-L121 VanDerWaalsContact C-N 3.3Å; R119-L121 PolarHBondContact O-N 2.71Å; R119-I122 PolarHBondContact O-N 3.01Å; R119-C123 PolarHBondContact NE-SG 2.96Å; R119-C123 PolarHBondContact NH2-SG 2.91Å; R119-C123 VanDerWaalsContact NH2-SG 3.43Å; R119-C123 WeakPolarHBondContact O-CB 3.49Å; R119-C123 PolarHBondContact O-N 3.37Å; R119-C123 PolarHBondContact O-SG 3.18Å; R119-A161 HydrophobicContact CB-CB 4.2Å; R119-A161 PolarHBondContact N-O 3.2Å; R119-E234 IonicContact NH1-OE1 3.84Å
120D94.4Very high94.6Very high73 Ų7335 Ų3539%0.3920%0.2SC..Hα-helixtrans-62.7-41.6178-57-42.2000110.5S117 C123 T124S117-D120 WeakPolarHBondContact CA-OD2 3.49Å; S117-D120 VanDerWaalsContact CB-OD2 3.29Å; S117-D120 WeakPolarHBondContact CB-OD2 3.48Å; S117-D120 PolarHBondContact N-OD2 2.84Å; S117-D120 WeakPolarHBondContact O-CB 3.09Å; S117-D120 PolarHBondContact O-N 3.28Å; S117-D120 PolarHBondContact OG-N 3.15Å; S117-D120 VanDerWaalsContact OG-N 3.13Å; S117-D120 PolarHBondContact OG-OD2 3.31Å; D120-C123 PolarHBondContact O-N 2.84Å; D120-T124 WeakPolarHBondContact O-CB 3.43Å; D120-T124 VanDerWaalsContact O-CG2 3.28Å; D120-T124 WeakPolarHBondContact O-CG2 3.41Å; D120-T124 PolarHBondContact O-N 2.99Å; D120-T124 PolarHBondContact O-OG1 3.25Å
121L95.2Very high94.6Very high3 Ų337.6 Ų37.62%0.01622%0.218CC..Hα-helixtrans-61.9-44.9175.2-67.5172000112.4Y115 S117 R119 T124 H125 F126 M130 I166 L361 V364Y115-L121 HydrophobicContact CD1-CD2 4.42Å; S117-L121 PolarHBondContact O-N 3.05Å; S117-L121 VanDerWaalsContact O-N 3.1Å; R119-L121 VanDerWaalsContact C-N 3.3Å; R119-L121 PolarHBondContact O-N 2.71Å; L121-T124 PolarHBondContact O-N 2.98Å; L121-H125 PolarHBondContact O-N 3Å; L121-F126 HydrophobicContact CB-CD2 4.08Å; L121-F126 HydrophobicContact CB-CE2 4.47Å; L121-F126 PolarHBondContact O-N 3Å; L121-M130 HydrophobicContact CB-CE 3.44Å; L121-M130 VanDerWaalsContact CB-CE 3.44Å; L121-M130 HydrophobicContact CD1-CE 3.97Å; L121-M130 HydrophobicContact CG-CE 4.38Å; L121-I166 HydrophobicContact CD1-CD1 3.81Å; L121-L361 HydrophobicContact CD1-CD1 4.4Å; L121-L361 HydrophobicContact CD1-CD2 3.87Å; L121-V364 HydrophobicContact CD2-CB 4.36Å; L121-V364 HydrophobicContact CD2-CG1 3.83Å; L121-V364 HydrophobicContact CD2-CG2 4.25Å
122I94.8Very high94.7Very high2 Ų237.8 Ų37.81%0.0122%0.217CC..Hα-helixtrans-58-50.4173.5-70.5166.4000110.7A118 R119 T124 F126 S127 M130 A161 E234 L235 G238A118-I122 VanDerWaalsContact O-CG1 3.29Å; A118-I122 WeakPolarHBondContact O-CG1 3.45Å; A118-I122 PolarHBondContact O-N 3.1Å; R119-I122 PolarHBondContact O-N 3.01Å; I122-T124 VanDerWaalsContact C-N 3.28Å; I122-T124 PolarHBondContact O-N 2.9Å; I122-F126 CarbonylContact O-C 3.45Å; I122-S127 VanDerWaalsContact O-CA 3.29Å; I122-S127 WeakPolarHBondContact O-CA 3.26Å; I122-S127 PolarHBondContact O-N 2.89Å; I122-S127 VanDerWaalsContact O-N 3.15Å; I122-M130 HydrophobicContact CG1-CE 4.1Å; I122-A161 HydrophobicContact CD1-CB 4.24Å; I122-E234 HydrophobicContact CD1-CG 4.26Å; I122-L235 HydrophobicContact CD1-CD2 4.2Å; I122-G238 WeakPolarHBondContact CG2-O 3.22Å
123C91.8Very high94.8Very high76 Ų7638.9 Ų38.951%0.51422%0.224SC..Hα-helixtrans-66.6-29.3-175.1-71.60000113.3R119 D120R119-C123 PolarHBondContact NE-SG 2.96Å; R119-C123 PolarHBondContact NH2-SG 2.91Å; R119-C123 VanDerWaalsContact NH2-SG 3.43Å; R119-C123 WeakPolarHBondContact O-CB 3.49Å; R119-C123 PolarHBondContact O-N 3.37Å; R119-C123 PolarHBondContact O-SG 3.18Å; D120-C123 PolarHBondContact O-N 2.84Å
124T90.4Very high94.9Very high92 Ų9238.3 Ų38.356%0.56422%0.221SC*.Hα-helixtrans-98.4-38.6-171.754.30000113.8D120 L121 I122D120-T124 WeakPolarHBondContact O-CB 3.43Å; D120-T124 VanDerWaalsContact O-CG2 3.28Å; D120-T124 WeakPolarHBondContact O-CG2 3.41Å; D120-T124 PolarHBondContact O-N 2.99Å; D120-T124 PolarHBondContact O-OG1 3.25Å; L121-T124 PolarHBondContact O-N 2.98Å; I122-T124 VanDerWaalsContact C-N 3.28Å; I122-T124 PolarHBondContact O-N 2.9Å
125H92.8Very high95.1Very high103 Ų10338 Ų3848%0.47722%0.219SC..THydrogen-bonded Turntrans-136.3-26.7-170.3-63.687.3000114.3L121 V364L121-H125 PolarHBondContact O-N 3Å; H125-V364 HydrophobicContact CB-CG2 3.51Å
126F93.8Very high95.3Very high32 Ų3237.2 Ų37.214%0.1422%0.215CC..  trans-114.454.2-177.5-56.6-77000110.9L121 I122 D128 G129 M130 L361 V364L121-F126 HydrophobicContact CB-CD2 4.08Å; L121-F126 HydrophobicContact CB-CE2 4.47Å; L121-F126 PolarHBondContact O-N 3Å; I122-F126 CarbonylContact O-C 3.45Å; F126-D128 VanDerWaalsContact C-N 3.25Å; F126-D128 PolarHBondContact O-N 3.06Å; F126-G129 VanDerWaalsContact O-CA 3.26Å; F126-G129 WeakPolarHBondContact O-CA 3.29Å; F126-G129 PolarHBondContact O-N 3.38Å; F126-M130 HydrophobicContact CB-CG 3.97Å; F126-M130 HydrophobicContact CD2-CE 4.24Å; F126-M130 HydrophobicContact CD2-CG 4.32Å; F126-M130 HydrophobicContact CG-CG 4.03Å; F126-L361 HydrophobicContact CE2-CD2 4.1Å; F126-L361 HydrophobicContact CZ-CD2 4.41Å; F126-V364 HydrophobicContact CE2-CG2 3.74Å; F126-V364 HydrophobicContact CZ-CG2 4.17Å
127S92.6Very high95.5Very high79 Ų7936.7 Ų36.755%0.55221%0.207SC*.THydrogen-bonded Turntrans-63.1-29.9-173.556.80000113.8I122 G129 G238I122-S127 VanDerWaalsContact O-CA 3.29Å; I122-S127 WeakPolarHBondContact O-CA 3.26Å; I122-S127 PolarHBondContact O-N 2.89Å; I122-S127 VanDerWaalsContact O-N 3.15Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G238 WeakPolarHBondContact O-CA 3.49Å
128D91.8Very high95.6Very high80 Ų8036.4 Ų36.443%0.42821%0.205SC..THydrogen-bonded Turntrans-93.512.4173.7-56.7-35.8000111.8F126 P310 R313F126-D128 VanDerWaalsContact C-N 3.25Å; F126-D128 PolarHBondContact O-N 3.06Å; D128-P310 HydrophobicContact CB-CB 4.17Å; D128-P310 WeakPolarHBondContact OD1-CB 3.45Å; D128-R313 VanDerWaalsContact O-CZ 3.24Å; D128-R313 PolarHBondContact O-NH1 3.35Å; D128-R313 PolarHBondContact O-NH2 3.09Å
129G94.5Very high95.6Very high11 Ų1136.4 Ų36.411%0.11321%0.205CC..  trans85.2173.6-179.800000115.3F126 S127 L235 A236F126-G129 VanDerWaalsContact O-CA 3.26Å; F126-G129 WeakPolarHBondContact O-CA 3.29Å; F126-G129 PolarHBondContact O-N 3.38Å; S127-G129 VanDerWaalsContact C-N 3.27Å; G129-L235 CarbonylContact C-O 3.6Å; G129-L235 VanDerWaalsContact CA-O 3.29Å; G129-L235 WeakPolarHBondContact CA-O 3.43Å; G129-A236 VanDerWaalsContact CA-O 3.29Å; G129-A236 WeakPolarHBondContact CA-O 3.43Å
130M96.1Very high95.7Very high1 Ų135 Ų351%0.00520%0.202CC..  trans-89.4163.5-168.1-65.6175.4174.900112.7A118 L121 I122 F126 T134 I135 I138 L235A118-M130 HydrophobicContact CB-CE 4.35Å; L121-M130 HydrophobicContact CB-CE 3.44Å; L121-M130 VanDerWaalsContact CB-CE 3.44Å; L121-M130 HydrophobicContact CD1-CE 3.97Å; L121-M130 HydrophobicContact CG-CE 4.38Å; I122-M130 HydrophobicContact CG1-CE 4.1Å; F126-M130 HydrophobicContact CB-CG 3.97Å; F126-M130 HydrophobicContact CD2-CE 4.24Å; F126-M130 HydrophobicContact CD2-CG 4.32Å; F126-M130 HydrophobicContact CG-CG 4.03Å; M130-T134 HydrophobicContact CB-CG2 4.38Å; M130-T134 HydrophobicContact SD-CG2 4.05Å; M130-I135 HydrophobicContact CB-CD1 4.2Å; M130-I135 HydrophobicContact CB-CG1 3.8Å; M130-I135 WeakPolarHBondContact O-CD1 3.42Å; M130-I138 HydrophobicContact CE-CD1 4.46Å; M130-I138 HydrophobicContact SD-CD1 3.66Å; M130-L235 PolarHBondContact N-O 2.97Å; M130-L235 HydrophobicContact SD-CD2 3.99Å
131S96Very high95.9Very high58 Ų5832 Ų3241%0.40619%0.188SC..  trans-67.6146.9171.866.60000111.3L133 T134 I135S131-L133 VanDerWaalsContact C-N 3.26Å; S131-L133 PolarHBondContact O-N 2.61Å; S131-T134 WeakPolarHBondContact O-CB 3.34Å; S131-T134 PolarHBondContact O-N 3.13Å; S131-T134 PolarHBondContact OG-OG1 3.12Å; S131-I135 WeakPolarHBondContact O-CG1 3.42Å; S131-I135 PolarHBondContact O-N 3.42Å
132E97.7Very high96.1Very high31 Ų3131.9 Ų31.915%0.14519%0.188CC..Hα-helixtrans-54.1-41.7-176.7-173178.613900112.9T134 I135 A136 F315 S316 F319 F345 Q348E132-T134 PolarHBondContact O-N 3.33Å; E132-I135 WeakPolarHBondContact O-CB 3.46Å; E132-I135 PolarHBondContact O-N 3Å; E132-A136 PolarHBondContact O-N 3.29Å; E132-F315 HydrophobicContact CB-CD1 4.16Å; E132-F315 HydrophobicContact CB-CE1 4.5Å; E132-F315 HydrophobicContact CG-CD1 4.45Å; E132-S316 VanDerWaalsContact OE1-CB 3.24Å; E132-S316 WeakPolarHBondContact OE1-CB 3.26Å; E132-S316 PolarHBondContact OE1-OG 2.77Å; E132-S316 WeakPolarHBondContact OE2-CB 3.29Å; E132-S316 PolarHBondContact OE2-N 3.34Å; E132-S316 PolarHBondContact OE2-OG 2.69Å; E132-F319 HydrophobicContact CG-CB 4.31Å; E132-F319 HydrophobicContact CG-CD1 3.84Å; E132-F319 HydrophobicContact CG-CG 4.21Å; E132-F345 HydrophobicContact CG-CE2 3.64Å; E132-F345 HydrophobicContact CG-CZ 4.28Å; E132-Q348 PolarHBondContact OE1-NE2 3.12Å
133L98.1Very high96.3Very high55 Ų5531.8 Ų31.829%0.28819%0.187SC..Hα-helixtrans-64.5-39.4179.3-175.958.9000112S131 I135 A136 Y137 Q348 I349 L360S131-L133 VanDerWaalsContact C-N 3.26Å; S131-L133 PolarHBondContact O-N 2.61Å; L133-I135 VanDerWaalsContact C-N 3.34Å; L133-A136 WeakPolarHBondContact O-CB 3.43Å; L133-A136 PolarHBondContact O-N 3.5Å; L133-Y137 HydrophobicContact CD1-CD2 4.27Å; L133-Y137 HydrophobicContact CD1-CE2 3.89Å; L133-Y137 HydrophobicContact CG-CD2 4.27Å; L133-Y137 HydrophobicContact CG-CE2 4.02Å; L133-Y137 VanDerWaalsContact O-CD2 3.25Å; L133-Y137 WeakPolarHBondContact O-CD2 3.17Å; L133-Y137 PolarHBondContact O-N 3.39Å; L133-Y137 VanDerWaalsContact O-N 3.16Å; L133-Q348 HydrophobicContact CD1-CB 4.4Å; L133-Q348 HydrophobicContact CD1-CG 3.83Å; L133-I349 HydrophobicContact CD1-CG1 4.42Å; L133-L360 HydrophobicContact CB-CD1 4.39Å; L133-L360 HydrophobicContact CD2-CD1 3.94Å; L133-L360 HydrophobicContact CD2-CD2 4.03Å; L133-L360 HydrophobicContact CG-CD1 3.79Å; L133-L360 HydrophobicContact CG-CD2 4.49Å
134T98.3Very high96.6Very high1 Ų132.6 Ų32.61%0.00618%0.182CC..Hα-helixtrans-61.2-46.1174-54.40000110.5M130 S131 E132 A136 Y137 I138 L357 L361M130-T134 HydrophobicContact CB-CG2 4.38Å; M130-T134 HydrophobicContact SD-CG2 4.05Å; S131-T134 WeakPolarHBondContact O-CB 3.34Å; S131-T134 PolarHBondContact O-N 3.13Å; S131-T134 PolarHBondContact OG-OG1 3.12Å; E132-T134 PolarHBondContact O-N 3.33Å; T134-A136 VanDerWaalsContact C-N 3.31Å; T134-A136 PolarHBondContact O-N 3.19Å; T134-Y137 PolarHBondContact O-N 3.24Å; T134-I138 HydrophobicContact CG2-CD1 4.07Å; T134-I138 WeakPolarHBondContact O-CG1 3.24Å; T134-I138 PolarHBondContact O-N 3.31Å; T134-L357 HydrophobicContact CG2-CD2 4Å; T134-L361 HydrophobicContact CG2-CD2 3.97Å
135I98.8Very high97Very high0 Ų028.2 Ų28.20%016%0.155CC..Hα-helixtrans-61.4-41.5177.8-60.9171.7000110.4M130 S131 E132 L133 Y137 I138 L139 L235 A236 F319M130-I135 HydrophobicContact CB-CD1 4.2Å; M130-I135 HydrophobicContact CB-CG1 3.8Å; M130-I135 WeakPolarHBondContact O-CD1 3.42Å; S131-I135 WeakPolarHBondContact O-CG1 3.42Å; S131-I135 PolarHBondContact O-N 3.42Å; E132-I135 WeakPolarHBondContact O-CB 3.46Å; E132-I135 PolarHBondContact O-N 3Å; L133-I135 VanDerWaalsContact C-N 3.34Å; I135-Y137 PolarHBondContact O-N 2.79Å; I135-I138 PolarHBondContact O-N 3.09Å; I135-L139 HydrophobicContact CG2-CD1 3.49Å; I135-L139 VanDerWaalsContact CG2-CD1 3.49Å; I135-L139 HydrophobicContact CG2-CG 3.86Å; I135-L139 WeakPolarHBondContact O-CB 3.35Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 3.46Å; I135-L235 HydrophobicContact CD1-CB 4.2Å; I135-L235 HydrophobicContact CG1-CB 4Å; I135-L235 HydrophobicContact CG2-CB 4.3Å; I135-L235 HydrophobicContact CG2-CD1 4.21Å; I135-A236 HydrophobicContact CD1-CB 3.98Å; I135-F319 HydrophobicContact CB-CZ 4.5Å; I135-F319 HydrophobicContact CD1-CE1 4.11Å; I135-F319 HydrophobicContact CD1-CZ 4.18Å; I135-F319 HydrophobicContact CG2-CE1 4.48Å; I135-F319 HydrophobicContact CG2-CE2 4.08Å; I135-F319 HydrophobicContact CG2-CZ 3.7Å
136A98.8Very high97.3Very high0 Ų023.3 Ų23.30%013%0.132CC..Hα-helixtrans-59.3-45.1177.500000112E132 L133 T134 L140 F345 F346 Q348 I349E132-A136 PolarHBondContact O-N 3.29Å; L133-A136 WeakPolarHBondContact O-CB 3.43Å; L133-A136 PolarHBondContact O-N 3.5Å; T134-A136 VanDerWaalsContact C-N 3.31Å; T134-A136 PolarHBondContact O-N 3.19Å; A136-L140 VanDerWaalsContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CB 3.39Å; A136-L140 PolarHBondContact O-N 2.97Å; A136-F345 HydrophobicContact CB-CE1 3.83Å; A136-F345 HydrophobicContact CB-CE2 4.28Å; A136-F345 HydrophobicContact CB-CZ 3.64Å; A136-F346 HydrophobicContact CB-CD1 4.4Å; A136-F346 WeakPolarHBondContact O-CE1 3.24Å; A136-Q348 HydrophobicContact CB-CG 4.13Å; A136-I349 HydrophobicContact CB-CD1 4.04Å; A136-I349 HydrophobicContact CB-CG1 4.16Å
137Y98.7Very high97.5Very high9 Ų925.5 Ų25.54%0.03514%0.143CC..Hα-helixtrans-62.2-44.2175.8-84.3-73.5000112.4L133 T134 I135 G141 I349 R351 P353 A356 L357 L360L133-Y137 HydrophobicContact CD1-CD2 4.27Å; L133-Y137 HydrophobicContact CD1-CE2 3.89Å; L133-Y137 HydrophobicContact CG-CD2 4.27Å; L133-Y137 HydrophobicContact CG-CE2 4.02Å; L133-Y137 VanDerWaalsContact O-CD2 3.25Å; L133-Y137 WeakPolarHBondContact O-CD2 3.17Å; L133-Y137 PolarHBondContact O-N 3.39Å; L133-Y137 VanDerWaalsContact O-N 3.16Å; T134-Y137 PolarHBondContact O-N 3.24Å; I135-Y137 PolarHBondContact O-N 2.79Å; Y137-G141 PolarHBondContact O-N 3.18Å; Y137-G141 VanDerWaalsContact O-N 3.15Å; Y137-I349 HydrophobicContact CD1-CD1 4.3Å; Y137-I349 HydrophobicContact CD1-CG1 4.41Å; Y137-I349 HydrophobicContact CD1-CG2 4.21Å; Y137-I349 HydrophobicContact CD2-CG1 4.44Å; Y137-I349 HydrophobicContact CE1-CB 4.46Å; Y137-I349 HydrophobicContact CE1-CG1 4.31Å; Y137-I349 HydrophobicContact CE1-CG2 3.49Å; Y137-I349 VanDerWaalsContact CE1-CG2 3.49Å; Y137-I349 HydrophobicContact CE2-CG1 4.31Å; Y137-I349 HydrophobicContact CG-CD1 4.42Å; Y137-I349 HydrophobicContact CG-CG1 4.47Å; Y137-R351 WeakPolarHBondContact CE1-O 3.39Å; Y137-R351 PolarHBondContact OH-N 3.35Å; Y137-R351 PolarHBondContact OH-O 3.37Å; Y137-P353 HydrophobicContact CD1-CB 4.09Å; Y137-P353 HydrophobicContact CD1-CG 3.95Å; Y137-P353 HydrophobicContact CE1-CB 4.37Å; Y137-P353 HydrophobicContact CE1-CG 4.13Å; Y137-A356 HydrophobicContact CE1-CB 4.39Å; Y137-A356 HydrophobicContact CE2-CB 3.7Å; Y137-A356 WeakPolarHBondContact OH-CB 3.29Å; Y137-L357 HydrophobicContact CD1-CG 4.48Å; Y137-L357 HydrophobicContact CD2-CD2 4.3Å; Y137-L357 HydrophobicContact CD2-CG 4.35Å; Y137-L357 HydrophobicContact CG-CD1 4.44Å; Y137-L357 HydrophobicContact CG-CD2 4.16Å; Y137-L357 HydrophobicContact CG-CG 3.98Å; Y137-L360 HydrophobicContact CD2-CD1 3.93Å; Y137-L360 HydrophobicContact CE2-CD1 3.96Å
138I98.8Very high97.8Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-61.5-54.3177.9-72.3169000110.9A118 M130 T134 I135 L140 G141 M142 V164 I166 L235A118-I138 HydrophobicContact CB-CD1 4.45Å; M130-I138 HydrophobicContact CE-CD1 4.46Å; M130-I138 HydrophobicContact SD-CD1 3.66Å; T134-I138 HydrophobicContact CG2-CD1 4.07Å; T134-I138 WeakPolarHBondContact O-CG1 3.24Å; T134-I138 PolarHBondContact O-N 3.31Å; I135-I138 PolarHBondContact O-N 3.09Å; I138-L140 VanDerWaalsContact C-N 3.28Å; I138-L140 PolarHBondContact O-N 3.28Å; I138-G141 PolarHBondContact O-N 3.32Å; I138-G141 VanDerWaalsContact O-N 3.12Å; I138-M142 HydrophobicContact CG2-CG 4.45Å; I138-M142 HydrophobicContact CG2-SD 3.94Å; I138-M142 WeakPolarHBondContact O-CG 3.29Å; I138-M142 PolarHBondContact O-N 3.39Å; I138-V164 HydrophobicContact CG2-CG1 3.77Å; I138-I166 HydrophobicContact CD1-CD1 4.05Å; I138-I166 HydrophobicContact CG1-CD1 4.13Å; I138-L235 HydrophobicContact CD1-CD2 4.35Å; I138-L235 HydrophobicContact CG2-CD1 3.77Å
139L98.8Very high98.1Very high0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-63.8-33.2-177.4-67.4178.2000112I135 M142 L143 L228 A232 L235 F319 F322 F345 F346I135-L139 HydrophobicContact CG2-CD1 3.49Å; I135-L139 VanDerWaalsContact CG2-CD1 3.49Å; I135-L139 HydrophobicContact CG2-CG 3.86Å; I135-L139 WeakPolarHBondContact O-CB 3.35Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 3.46Å; L139-M142 HydrophobicContact CD2-SD 3.98Å; L139-M142 PolarHBondContact O-N 3.23Å; L139-L143 WeakPolarHBondContact O-CB 3.38Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 3.01Å; L139-L228 HydrophobicContact CD2-CD1 3.73Å; L139-L228 HydrophobicContact CD2-CG 4.28Å; L139-A232 HydrophobicContact CD1-CB 3.75Å; L139-A232 HydrophobicContact CD2-CB 4.25Å; L139-L235 HydrophobicContact CD2-CD1 4.04Å; L139-L235 HydrophobicContact CG-CD1 4.39Å; L139-F319 HydrophobicContact CD1-CE2 4.13Å; L139-F322 HydrophobicContact CD1-CD1 4.37Å; L139-F322 HydrophobicContact CD1-CE1 3.75Å; L139-F322 HydrophobicContact CD1-CZ 4.36Å; L139-F345 HydrophobicContact CD1-CE1 4.04Å; L139-F346 HydrophobicContact CB-CE1 4.1Å; L139-F346 HydrophobicContact CB-CZ 4.24Å
140L98.7Very high98.3Very high29 Ų2920.5 Ų20.515%0.15210%0.103CC..Hα-helixtrans-65.9-42.3174.2-176.762000111.8A136 I138 M142 L143 K144 T341 F346 I349A136-L140 VanDerWaalsContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CB 3.39Å; A136-L140 PolarHBondContact O-N 2.97Å; I138-L140 VanDerWaalsContact C-N 3.28Å; I138-L140 PolarHBondContact O-N 3.28Å; L140-M142 VanDerWaalsContact C-N 3.31Å; L140-L143 PolarHBondContact O-N 2.97Å; L140-K144 WeakPolarHBondContact O-CG 3.45Å; L140-K144 PolarHBondContact O-N 2.55Å; L140-K144 VanDerWaalsContact O-N 3.16Å; L140-T341 HydrophobicContact CD1-CG2 3.96Å; L140-F346 HydrophobicContact CB-CD1 3.91Å; L140-F346 HydrophobicContact CB-CE1 3.9Å; L140-F346 HydrophobicContact CD1-CD1 4.33Å; L140-F346 HydrophobicContact CD1-CG 4.32Å; L140-I349 HydrophobicContact CB-CD1 4.15Å; L140-I349 HydrophobicContact CD2-CD1 3.64Å
141G98.3Very high98.3Very high9 Ų927.1 Ų27.19%0.09313%0.134CC..Hα-helixtrans-60.6-42.7173.200000111.8S92 Y137 I138 K144 A145S92-G141 VanDerWaalsContact CB-O 3.29Å; S92-G141 WeakPolarHBondContact CB-O 3.42Å; Y137-G141 PolarHBondContact O-N 3.18Å; Y137-G141 VanDerWaalsContact O-N 3.15Å; I138-G141 PolarHBondContact O-N 3.32Å; I138-G141 VanDerWaalsContact O-N 3.12Å; G141-K144 PolarHBondContact O-N 3.22Å; G141-A145 PolarHBondContact O-N 3.37Å
142M98.8Very high98.3Very high2 Ų227.7 Ų27.71%0.0113%0.131CC..Hα-helixtrans-63.9-43.7177.1-66.9175.674.800113I138 L139 L140 K144 A145 L146 V159 V164 M174 L228 T231I138-M142 HydrophobicContact CG2-CG 4.45Å; I138-M142 HydrophobicContact CG2-SD 3.94Å; I138-M142 WeakPolarHBondContact O-CG 3.29Å; I138-M142 PolarHBondContact O-N 3.39Å; L139-M142 HydrophobicContact CD2-SD 3.98Å; L139-M142 PolarHBondContact O-N 3.23Å; L140-M142 VanDerWaalsContact C-N 3.31Å; M142-K144 VanDerWaalsContact C-N 3.35Å; M142-K144 PolarHBondContact O-N 2.91Å; M142-A145 WeakPolarHBondContact O-CB 3.36Å; M142-A145 PolarHBondContact O-N 3.46Å; M142-L146 WeakPolarHBondContact O-CG 3.27Å; M142-L146 PolarHBondContact O-N 2.99Å; M142-V159 HydrophobicContact CE-CG1 3.33Å; M142-V164 HydrophobicContact CE-CG2 3.68Å; M142-V164 HydrophobicContact CG-CG2 3.84Å; M142-V164 HydrophobicContact SD-CG2 3.43Å; M142-V164 WeakPolarHBondContact SD-CG2 3.31Å; M142-M174 HydrophobicContact CB-CE 3.48Å; M142-M174 VanDerWaalsContact CB-CE 3.48Å; M142-M174 HydrophobicContact CE-CE 3.89Å; M142-M174 HydrophobicContact CG-CE 3.71Å; M142-L228 HydrophobicContact CB-CD1 3.87Å; M142-L228 HydrophobicContact CE-CD1 3.67Å; M142-L228 HydrophobicContact SD-CD1 3.98Å; M142-T231 HydrophobicContact CE-CG2 3.92Å; M142-T231 HydrophobicContact SD-CG2 4.28Å
143L98.8Very high98.2Very high0 Ų026.2 Ų26.20%012%0.124CC..Hα-helixtrans-61.3-42.2178-82.3169.2000112.2L139 L140 A145 L146 E147 L228 F322 A337 L340 F346L139-L143 WeakPolarHBondContact O-CB 3.38Å; L139-L143 WeakPolarHBondContact O-CG 3.43Å; L139-L143 PolarHBondContact O-N 3.01Å; L140-L143 PolarHBondContact O-N 2.97Å; L143-A145 VanDerWaalsContact C-N 3.31Å; L143-A145 PolarHBondContact O-N 3.03Å; L143-L146 PolarHBondContact O-N 3.24Å; L143-E147 VanDerWaalsContact O-CB 3.29Å; L143-E147 WeakPolarHBondContact O-CB 3.44Å; L143-E147 PolarHBondContact O-N 3.23Å; L143-L228 HydrophobicContact CD1-CD2 4.46Å; L143-L228 HydrophobicContact CD2-CD2 3.42Å; L143-L228 VanDerWaalsContact CD2-CD2 3.42Å; L143-L228 HydrophobicContact CG-CD2 3.76Å; L143-F322 HydrophobicContact CD1-CE2 4.1Å; L143-F322 HydrophobicContact CD1-CZ 4.25Å; L143-A337 HydrophobicContact CD2-CB 3.99Å; L143-L340 HydrophobicContact CD1-CB 3.86Å; L143-L340 HydrophobicContact CD2-CB 3.67Å; L143-L340 HydrophobicContact CD2-CD1 4.03Å; L143-L340 HydrophobicContact CG-CB 4.46Å; L143-F346 HydrophobicContact CD1-CE2 3.46Å; L143-F346 VanDerWaalsContact CD1-CE2 3.46Å; L143-F346 HydrophobicContact CD1-CZ 3.4Å; L143-F346 VanDerWaalsContact CD1-CZ 3.4Å
144K98.6Very high98.2Very high92 Ų9224.8 Ų24.840%0.412%0.115SC..Hα-helixtrans-61.3-40.3175.5-68.8174.4176.7-178.80112H90 L140 G141 M142 Y148H90-K144 PolarHBondContact CE1-O 2.94Å; L140-K144 WeakPolarHBondContact O-CG 3.45Å; L140-K144 PolarHBondContact O-N 2.55Å; L140-K144 VanDerWaalsContact O-N 3.16Å; G141-K144 PolarHBondContact O-N 3.22Å; M142-K144 VanDerWaalsContact C-N 3.35Å; M142-K144 PolarHBondContact O-N 2.91Å; K144-Y148 PolarHBondContact O-N 3.42Å
145A98.6Very high98.1Very high0 Ų024.7 Ų24.70%012%0.115CC..Hα-helixtrans-64.3-48.217500000111.8S92 I93 G141 M142 L143 Y148 I149 M174S92-A145 VanDerWaalsContact O-CB 3.3Å; S92-A145 WeakPolarHBondContact O-CB 3.09Å; I93-A145 HydrophobicContact CG1-CB 3.91Å; G141-A145 PolarHBondContact O-N 3.37Å; M142-A145 WeakPolarHBondContact O-CB 3.36Å; M142-A145 PolarHBondContact O-N 3.46Å; L143-A145 VanDerWaalsContact C-N 3.31Å; L143-A145 PolarHBondContact O-N 3.03Å; A145-Y148 PolarHBondContact O-N 2.93Å; A145-I149 VanDerWaalsContact O-CG1 3.26Å; A145-I149 WeakPolarHBondContact O-CG1 3.48Å; A145-I149 PolarHBondContact O-N 3.02Å; A145-M174 HydrophobicContact CB-CB 3.85Å; A145-M174 HydrophobicContact CB-CE 4.21Å; A145-M174 HydrophobicContact CB-SD 4.11Å
146L98.8Very high98.1Very high0 Ų024.7 Ų24.70%012%0.115CC..Hα-helixtrans-63.9-41.7179.3-72175.5000112.2M142 L143 Y148 I149 H150 H156 V159 M174 D224 L228 A337M142-L146 WeakPolarHBondContact O-CG 3.27Å; M142-L146 PolarHBondContact O-N 2.99Å; L143-L146 PolarHBondContact O-N 3.24Å; L146-Y148 VanDerWaalsContact C-N 3.29Å; L146-Y148 PolarHBondContact O-N 3.2Å; L146-I149 PolarHBondContact O-N 3.35Å; L146-H150 VanDerWaalsContact O-CB 3.29Å; L146-H150 WeakPolarHBondContact O-CB 3.45Å; L146-H150 PolarHBondContact O-CD2 2.78Å; L146-H150 VanDerWaalsContact O-CD2 3.32Å; L146-H150 PolarHBondContact O-N 2.98Å; L146-H150 PolarHBondContact O-ND1 3.34Å; L146-H156 HydrophobicContact CD2-CB 3.92Å; L146-V159 HydrophobicContact CD1-CG2 4.29Å; L146-V159 HydrophobicContact CD2-CG2 3.85Å; L146-M174 HydrophobicContact CD1-CE 4.4Å; L146-M174 HydrophobicContact CD2-CE 4.31Å; L146-M174 HydrophobicContact CD2-SD 3.99Å; L146-M174 HydrophobicContact CG-CE 3.95Å; L146-M174 HydrophobicContact CG-SD 4.21Å; L146-D224 HydrophobicContact CD1-CB 4.38Å; L146-D224 HydrophobicContact CD2-CB 4.01Å; L146-L228 HydrophobicContact CD1-CD1 4.44Å; L146-A337 HydrophobicContact CB-CB 4.09Å
147E98.6Very high98.1Very high79 Ų7925.1 Ų25.137%0.36912%0.116SC..Hα-helixtrans-54.4-47.6174.9-178.2177.5169.600111.2L143 H151 A337 A338L143-E147 VanDerWaalsContact O-CB 3.29Å; L143-E147 WeakPolarHBondContact O-CB 3.44Å; L143-E147 PolarHBondContact O-N 3.23Å; E147-H151 VanDerWaalsContact O-CB 3.23Å; E147-H151 WeakPolarHBondContact O-CB 3.28Å; E147-H151 PolarHBondContact O-N 3.37Å; E147-A337 HydrophobicContact CB-CB 3.97Å; E147-A338 HydrophobicContact CG-CB 4.05Å
148Y98.6Very high98Very high50 Ų5024.7 Ų24.720%0.19612%0.115CC..Hα-helixtrans-62.5-48.3175.8178.2-89.8000112.4F88 H89 H90 I93 K144 A145 L146 H150 H151 M152F88-Y148 HydrophobicContact CB-CE1 4Å; F88-Y148 AromaticContact CD1-CE1 3.77Å; F88-Y148 HydrophobicContact CD1-CE1 3.77Å; F88-Y148 HydrophobicContact CE1-CE1 4.44Å; F88-Y148 AromaticContact CG-CE1 3.95Å; F88-Y148 HydrophobicContact CG-CE1 3.95Å; H89-Y148 PolarHBondContact N-OH 2.88Å; H90-Y148 HydrophobicContact CB-CD1 3.96Å; H90-Y148 HydrophobicContact CB-CD2 4.08Å; H90-Y148 HydrophobicContact CB-CE1 4.23Å; H90-Y148 HydrophobicContact CB-CE2 4.34Å; H90-Y148 HydrophobicContact CB-CG 3.88Å; H90-Y148 AromaticContact CD2-CD2 3.89Å; H90-Y148 AromaticContact CD2-CG 3.99Å; H90-Y148 AromaticContact CG-CG 3.97Å; I93-Y148 HydrophobicContact CD1-CD1 3.53Å; I93-Y148 HydrophobicContact CD1-CE1 4.06Å; I93-Y148 HydrophobicContact CD1-CG 4.41Å; K144-Y148 PolarHBondContact O-N 3.42Å; A145-Y148 PolarHBondContact O-N 2.93Å; L146-Y148 VanDerWaalsContact C-N 3.29Å; L146-Y148 PolarHBondContact O-N 3.2Å; Y148-H150 PolarHBondContact O-N 3.49Å; Y148-H151 PolarHBondContact O-N 3.13Å; Y148-M152 HydrophobicContact CD1-CG 4.24Å; Y148-M152 HydrophobicContact CE1-CG 3.83Å; Y148-M152 HydrophobicContact CE2-CG 4.39Å; Y148-M152 WeakPolarHBondContact O-CG 3.44Å; Y148-M152 PolarHBondContact O-N 2.94Å
149I98.1Very high98Very high0 Ų024.8 Ų24.80%012%0.115CC..Hα-helixtrans-60.2-46.2-179.2-70.5171.4000111.1F88 I93 A145 L146 M152 G153 Y154 I180F88-I149 HydrophobicContact CD2-CG1 4.33Å; F88-I149 HydrophobicContact CE2-CD1 4.31Å; F88-I149 HydrophobicContact CE2-CG1 3.73Å; F88-I149 HydrophobicContact CE2-CG2 4.44Å; F88-I149 HydrophobicContact CZ-CG1 4.15Å; F88-I149 HydrophobicContact CZ-CG2 4.33Å; I93-I149 HydrophobicContact CD1-CD1 3.96Å; I93-I149 HydrophobicContact CD1-CG1 3.69Å; I93-I149 HydrophobicContact CG1-CD1 4.48Å; A145-I149 VanDerWaalsContact O-CG1 3.26Å; A145-I149 WeakPolarHBondContact O-CG1 3.48Å; A145-I149 PolarHBondContact O-N 3.02Å; L146-I149 PolarHBondContact O-N 3.35Å; I149-M152 PolarHBondContact O-N 3.25Å; I149-G153 PolarHBondContact O-N 3.32Å; I149-Y154 PolarHBondContact O-N 3.19Å; I149-I180 HydrophobicContact CG2-CD1 3.95Å
150H97.8Very high97.9Very high14 Ų1426 Ų267%0.06512%0.121CC..Hα-helixtrans-66.5-40.1180-61.6175.3000111.1L146 Y148 M152 G153 Y154 R189 F221 D224L146-H150 VanDerWaalsContact O-CB 3.29Å; L146-H150 WeakPolarHBondContact O-CB 3.45Å; L146-H150 PolarHBondContact O-CD2 2.78Å; L146-H150 VanDerWaalsContact O-CD2 3.32Å; L146-H150 PolarHBondContact O-N 2.98Å; L146-H150 PolarHBondContact O-ND1 3.34Å; Y148-H150 PolarHBondContact O-N 3.49Å; H150-M152 VanDerWaalsContact C-N 3.34Å; H150-M152 PolarHBondContact O-N 3Å; H150-G153 PolarHBondContact O-N 3.38Å; H150-Y154 PolarHBondContact CD2-O 3.41Å; H150-R189 PolarHBondContact O-NH1 3.28Å; H150-F221 HydrophobicContact CB-CB 4.16Å; H150-F221 HydrophobicContact CB-CD2 4.39Å; H150-F221 HydrophobicContact CB-CG 4.3Å; H150-F221 PolarHBondContact CE1-O 3.42Å; H150-F221 VanDerWaalsContact CE1-O 3.27Å; H150-F221 AromaticContact ND1-CD2 3.57Å; H150-D224 IonicContact CD2-OD2 3.15Å; H150-D224 IonicContact CE1-OD2 2.67Å; H150-D224 IonicContact NE2-OD2 3.26Å; H150-D224 PolarHBondContact NE2-OD2 2.93Å
151H96.6Very high97.9Very high140 Ų14024.7 Ų24.765%0.64811%0.114SC*.Hα-helixtrans-60.5-44173.8-173.776.4000111.4E147 Y148 G153 R189E147-H151 VanDerWaalsContact O-CB 3.23Å; E147-H151 WeakPolarHBondContact O-CB 3.28Å; E147-H151 PolarHBondContact O-N 3.37Å; Y148-H151 PolarHBondContact O-N 3.13Å; H151-G153 PolarHBondContact O-N 3.19Å; H151-G153 VanDerWaalsContact O-N 3.1Å; H151-R189 PolarHBondContact O-NH2 2.97Å
152M96.1Very high97.8Very high70 Ų7026.1 Ų26.135%0.34512%0.123SC..THydrogen-bonded Turntrans-66.5-6.7173.9-70.7-65.6101.400114.3F88 Y148 I149 H150 Y154F88-M152 HydrophobicContact CD1-CG 4.47Å; F88-M152 HydrophobicContact CE1-CB 3.89Å; F88-M152 HydrophobicContact CE1-CG 4.19Å; Y148-M152 HydrophobicContact CD1-CG 4.24Å; Y148-M152 HydrophobicContact CE1-CG 3.83Å; Y148-M152 HydrophobicContact CE2-CG 4.39Å; Y148-M152 WeakPolarHBondContact O-CG 3.44Å; Y148-M152 PolarHBondContact O-N 2.94Å; I149-M152 PolarHBondContact O-N 3.25Å; H150-M152 VanDerWaalsContact C-N 3.34Å; H150-M152 PolarHBondContact O-N 3Å; M152-Y154 HydrophobicContact CB-CD2 3.91Å; M152-Y154 HydrophobicContact CB-CE2 4.32Å; M152-Y154 WeakPolarHBondContact O-CD2 3.22Å; M152-Y154 WeakPolarHBondContact O-CE2 3.35Å
153G95.9Very high97.8Very high0 Ų027.8 Ų27.80%013%0.13CC..THydrogen-bonded Turntrans85.83317600000113.9I149 H150 H151 L183 R189I149-G153 PolarHBondContact O-N 3.32Å; H150-G153 PolarHBondContact O-N 3.38Å; H151-G153 PolarHBondContact O-N 3.19Å; H151-G153 VanDerWaalsContact O-N 3.1Å; G153-L183 VanDerWaalsContact O-CB 3.26Å; G153-L183 WeakPolarHBondContact O-CB 3.38Å; G153-L183 PolarHBondContact O-N 3.27Å; G153-R189 VanDerWaalsContact CA-NH1 3.31Å
154Y97.3Very high97.8Very high25 Ų2527.9 Ų27.910%0.09813%0.131CC..EExtended strand (participates in β ladder)trans-120.9158.1177.7-69.8-96.2000111.7V84 L87 F88 I149 H150 M152 I180 F181V84-Y154 HydrophobicContact CG1-CD1 4.33Å; V84-Y154 HydrophobicContact CG1-CE1 4.1Å; V84-Y154 HydrophobicContact CG2-CD1 4.4Å; V84-Y154 HydrophobicContact CG2-CE1 3.66Å; L87-Y154 WeakPolarHBondContact CD1-OH 3.33Å; F88-Y154 AromaticContact CE1-CD2 3.75Å; F88-Y154 HydrophobicContact CE1-CD2 3.75Å; F88-Y154 AromaticContact CE1-CE2 3.94Å; F88-Y154 HydrophobicContact CE1-CE2 3.94Å; F88-Y154 HydrophobicContact CE1-CG 4.32Å; F88-Y154 HydrophobicContact CZ-CD1 4.4Å; F88-Y154 AromaticContact CZ-CD2 3.69Å; F88-Y154 HydrophobicContact CZ-CD2 3.69Å; F88-Y154 HydrophobicContact CZ-CE2 4.23Å; F88-Y154 AromaticContact CZ-CG 3.8Å; F88-Y154 HydrophobicContact CZ-CG 3.8Å; I149-Y154 PolarHBondContact O-N 3.19Å; H150-Y154 PolarHBondContact CD2-O 3.41Å; M152-Y154 HydrophobicContact CB-CD2 3.91Å; M152-Y154 HydrophobicContact CB-CE2 4.32Å; M152-Y154 WeakPolarHBondContact O-CD2 3.22Å; M152-Y154 WeakPolarHBondContact O-CE2 3.35Å; Y154-I180 HydrophobicContact CD1-CD1 4.04Å; Y154-I180 HydrophobicContact CD1-CG1 4.03Å; Y154-I180 HydrophobicContact CG-CD1 4.09Å; Y154-I180 HydrophobicContact CG-CG1 4.35Å; Y154-F181 CarbonylContact C-O 3.6Å; Y154-F181 WeakPolarHBondContact CA-O 3.39Å
155V97.9Very high97.8Very high0 Ų024.9 Ų24.90%012%0.119CC..EExtended strand (participates in β ladder)trans-117131.4167.9-1710000107.9R157 I180 F181 L183 V193 Y219 F221 D224V155-R157 HydrophobicContact CB-CG 4.08Å; V155-R157 HydrophobicContact CG1-CG 3.71Å; V155-I180 CarbonylContact O-C 3.6Å; V155-I180 WeakPolarHBondContact O-CA 3.48Å; V155-I180 VanDerWaalsContact O-CG1 3.22Å; V155-I180 WeakPolarHBondContact O-CG1 3.48Å; V155-F181 PolarHBondContact N-O 2.85Å; V155-F181 PolarHBondContact O-N 3.01Å; V155-L183 HydrophobicContact CG2-CD1 4.02Å; V155-L183 HydrophobicContact CG2-CD2 4.06Å; V155-L183 HydrophobicContact CG2-CG 4.03Å; V155-V193 HydrophobicContact CG2-CG2 4.46Å; V155-Y219 HydrophobicContact CG1-CE2 4.21Å; V155-F221 HydrophobicContact CG2-CB 4.35Å; V155-D224 WeakPolarHBondContact CG1-OD2 3.16Å
156H98Very high97.7Very high0 Ų024.9 Ų24.90%012%0.119CC..  trans-73-44.4-174.1-167.8-57.7000113.1L146 S158 V159 M174 S175 S179 D224L146-H156 HydrophobicContact CD2-CB 3.92Å; H156-S158 PolarHBondContact CE1-OG 3.39Å; H156-S158 PolarHBondContact ND1-N 2.87Å; H156-S158 PolarHBondContact ND1-OG 3.09Å; H156-S158 PolarHBondContact O-N 2.94Å; H156-S158 VanDerWaalsContact O-N 3.09Å; H156-V159 HydrophobicContact CB-CG2 3.99Å; H156-M174 PolarHBondContact CD2-SD 2.61Å; H156-M174 WeakPolarHBondContact NE2-CG 3.21Å; H156-M174 PolarHBondContact NE2-SD 3.49Å; H156-M174 VanDerWaalsContact NE2-SD 3.4Å; H156-S175 PolarHBondContact CE1-O 2.83Å; H156-S175 PolarHBondContact NE2-O 2.98Å; H156-S179 CarbonylContact O-C 3.6Å; H156-D224 WeakPolarHBondContact CB-OD2 3.16Å; H156-D224 PolarHBondContact N-OD1 3.25Å; H156-D224 PolarHBondContact N-OD2 3.13Å
157R97.7Very high97.5Very high8 Ų825.2 Ų25.23%0.0312%0.121CC..  trans61.911.1175.6-47.9-169.9-57.4174.1-8.8116.5V155 S179 D195 P197 Y219 D224V155-R157 HydrophobicContact CB-CG 4.08Å; V155-R157 HydrophobicContact CG1-CG 3.71Å; R157-S179 VanDerWaalsContact CZ-O 3.22Å; R157-S179 PolarHBondContact NE-O 3.44Å; R157-S179 PolarHBondContact NH2-O 3.1Å; R157-D195 IonicContact CZ-OD1 3.69Å; R157-D195 IonicContact NH1-OD1 3.69Å; R157-D195 PolarHBondContact NH1-OD1 2.86Å; R157-D195 IonicContact NH2-OD1 2.9Å; R157-P197 HydrophobicContact CB-CG 4.16Å; R157-Y219 WeakPolarHBondContact CD-OH 3.47Å; R157-Y219 HydrophobicContact CG-CE2 4.4Å; R157-Y219 PolarHBondContact NH1-OH 3.24Å; R157-D224 PolarHBondContact N-OD1 2.92Å
158S96.8Very high97.3Very high1 Ų123.7 Ų23.71%0.00712%0.122CC..  trans-15034.6-179.267.80000112.7H156 K160 H163 G176H156-S158 PolarHBondContact CE1-OG 3.39Å; H156-S158 PolarHBondContact ND1-N 2.87Å; H156-S158 PolarHBondContact ND1-OG 3.09Å; H156-S158 PolarHBondContact O-N 2.94Å; H156-S158 VanDerWaalsContact O-N 3.09Å; S158-K160 PolarHBondContact O-N 2.87Å; S158-H163 PolarHBondContact O-ND1 2.88Å; S158-H163 PolarHBondContact OG-ND1 3.07Å; S158-G176 PolarHBondContact OG-O 2.98Å
159V98.7Very high97Very high2 Ų225.7 Ų25.71%0.01214%0.136CC..  trans-71112.9176.7-177.30000109.6M142 L146 H156 D224 L228 T231M142-V159 HydrophobicContact CE-CG1 3.33Å; L146-V159 HydrophobicContact CD1-CG2 4.29Å; L146-V159 HydrophobicContact CD2-CG2 3.85Å; H156-V159 HydrophobicContact CB-CG2 3.99Å; V159-D224 HydrophobicContact CG2-CB 4.08Å; V159-L228 HydrophobicContact CG1-CB 4.38Å; V159-L228 HydrophobicContact CG1-CD1 4.37Å; V159-T231 PolarHBondContact O-OG1 3.25Å
160K98.2Very high96.9Very high26 Ų2625.7 Ų25.711%0.11314%0.136CC..SBendtrans-161.9164.4179.958.4175.8172.7164.30111.7S158 S162 H163 W206 T231S158-K160 PolarHBondContact O-N 2.87Å; K160-S162 VanDerWaalsContact C-N 3.26Å; K160-S162 WeakPolarHBondContact CD-OG 3.44Å; K160-S162 WeakPolarHBondContact CE-OG 3.44Å; K160-S162 PolarHBondContact NZ-OG 3.45Å; K160-S162 PolarHBondContact O-N 3.42Å; K160-H163 WeakPolarHBondContact CE-CE1 3.49Å; K160-H163 HydrophobicContact CG-CB 4.29Å; K160-H163 PolarHBondContact O-N 2.9Å; K160-W206 HydrophobicContact CB-CD2 3.79Å; K160-W206 VanDerWaalsContact CB-CE2 3.44Å; K160-W206 HydrophobicContact CB-CG 3.89Å; K160-W206 HydrophobicContact CB-CZ2 3.97Å; K160-W206 VanDerWaalsContact CB-NE1 3.32Å; K160-W206 HydrophobicContact CD-CD2 4.43Å; K160-W206 HydrophobicContact CD-CE3 4.43Å; K160-W206 HydrophobicContact CD-CH2 4.4Å; K160-W206 HydrophobicContact CD-CZ2 4.37Å; K160-W206 HydrophobicContact CD-CZ3 4.43Å; K160-T231 WeakPolarHBondContact CA-OG1 3Å
161A97.9Very high96.8Very high0 Ų028.8 Ų28.80%015%0.151CC..G310 helixtrans-60.4-32.1-176.900000113.7A118 R119 I122 H163 V164 T231 E234 L235A118-A161 HydrophobicContact CB-CB 4.16Å; A118-A161 PolarHBondContact N-O 2.93Å; R119-A161 HydrophobicContact CB-CB 4.2Å; R119-A161 PolarHBondContact N-O 3.2Å; I122-A161 HydrophobicContact CD1-CB 4.24Å; A161-H163 PolarHBondContact O-N 3.33Å; A161-V164 PolarHBondContact O-N 3.32Å; A161-T231 HydrophobicContact CB-CG2 4.43Å; A161-E234 HydrophobicContact CB-CG 4.15Å; A161-E234 VanDerWaalsContact CB-OE2 3.22Å; A161-E234 WeakPolarHBondContact CB-OE2 3.45Å; A161-E234 PolarHBondContact N-OE2 3.28Å; A161-L235 HydrophobicContact CB-CD2 4.12Å
162S96.9Very high96.8Very high40 Ų4022.6 Ų22.628%0.2812%0.123SC..G310 helixtrans-72.2-9.8178.378.50000113.8K160K160-S162 VanDerWaalsContact C-N 3.26Å; K160-S162 WeakPolarHBondContact CD-OG 3.44Å; K160-S162 WeakPolarHBondContact CE-OG 3.44Å; K160-S162 PolarHBondContact NZ-OG 3.45Å; K160-S162 PolarHBondContact O-N 3.42Å
163H98.1Very high96.9Very high37 Ų3719.4 Ų19.417%0.17111%0.107CC..G310 helixtrans-107.114.7174.7-67.9168.5000112.4S158 K160 A161 M174 S175S158-H163 PolarHBondContact O-ND1 2.88Å; S158-H163 PolarHBondContact OG-ND1 3.07Å; K160-H163 WeakPolarHBondContact CE-CE1 3.49Å; K160-H163 HydrophobicContact CG-CB 4.29Å; K160-H163 PolarHBondContact O-N 2.9Å; A161-H163 PolarHBondContact O-N 3.33Å; H163-M174 CarbonylContact O-C 3.53Å; H163-M174 WeakPolarHBondContact O-CA 3.37Å; H163-S175 WeakPolarHBondContact CA-OG 3.19Å; H163-S175 PolarHBondContact O-N 3.02Å; H163-S175 PolarHBondContact O-OG 3.15Å
164V98.2Very high97Very high1 Ų119.6 Ų19.61%0.00611%0.108CC..EExtended strand (participates in β ladder)trans-110.6114.3172.2-1800000107.2S117 A118 I138 M142 A161 V172S117-V164 CarbonylContact C-O 3.51Å; S117-V164 WeakPolarHBondContact CA-O 3.49Å; S117-V164 WeakPolarHBondContact CB-O 3.46Å; A118-V164 HydrophobicContact CB-CB 4.04Å; A118-V164 HydrophobicContact CB-CG1 4.25Å; A118-V164 PolarHBondContact N-O 2.91Å; I138-V164 HydrophobicContact CG2-CG1 3.77Å; M142-V164 HydrophobicContact CE-CG2 3.68Å; M142-V164 HydrophobicContact CG-CG2 3.84Å; M142-V164 HydrophobicContact SD-CG2 3.43Å; M142-V164 WeakPolarHBondContact SD-CG2 3.31Å; A161-V164 PolarHBondContact O-N 3.32Å; V164-V172 HydrophobicContact CG1-CG1 3.67Å
165L98.2Very high96.9Very high29 Ų2919 Ų1915%0.15211%0.108CC..EExtended strand (participates in β ladder)trans-107.7145.7179.4-56.5177000110.7L94 M113 G116 C173L94-L165 HydrophobicContact CD1-CD1 4.12Å; L94-L165 HydrophobicContact CD2-CD1 3.74Å; L94-L165 HydrophobicContact CG-CD1 4.46Å; M113-L165 HydrophobicContact CB-CB 3.75Å; M113-L165 HydrophobicContact CB-CD1 4.43Å; M113-L165 HydrophobicContact CG-CB 3.59Å; M113-L165 HydrophobicContact CG-CD1 3.94Å; M113-L165 HydrophobicContact CG-CG 4.38Å; M113-L165 HydrophobicContact SD-CB 4.47Å; G116-L165 WeakPolarHBondContact O-CA 3.46Å; L165-C173 PolarHBondContact N-O 3.48Å; L165-C173 PolarHBondContact O-N 2.66Å
166I97.7Very high96.7Very high0 Ų019.4 Ų19.40%011%0.112CC..EExtended strand (participates in β ladder)trans-124.7123.8-178.5-51.2177.3000109.8M113 A114 Y115 G116 L121 I138 Q171 V172 L361M113-I166 CarbonylContact C-O 3.54Å; M113-I166 VanDerWaalsContact C-O 3.29Å; A114-I166 PolarHBondContact N-O 3.43Å; Y115-I166 HydrophobicContact CD2-CG2 4Å; Y115-I166 PolarHBondContact N-O 3.46Å; Y115-I166 VanDerWaalsContact N-O 3.09Å; G116-I166 PolarHBondContact O-N 2.74Å; L121-I166 HydrophobicContact CD1-CD1 3.81Å; I138-I166 HydrophobicContact CD1-CD1 4.05Å; I138-I166 HydrophobicContact CG1-CD1 4.13Å; I166-Q171 WeakPolarHBondContact CA-O 3.29Å; I166-V172 HydrophobicContact CG1-CG2 4.47Å; I166-L361 HydrophobicContact CD1-CD1 4.36Å; I166-L361 HydrophobicContact CG2-CD1 4.24Å
167S95.3Very high96.5Very high8 Ų819.5 Ų19.56%0.05611%0.112CC..  trans-78.1166.2177.466.30000112.2Y115 D169 G170 Q171Y115-S167 WeakPolarHBondContact CD2-O 3.29Å; S167-D169 WeakPolarHBondContact CB-OD1 3.29Å; S167-D169 PolarHBondContact O-N 3.45Å; S167-D169 PolarHBondContact OG-OD1 3.26Å; S167-G170 PolarHBondContact O-N 2.84Å; S167-Q171 PolarHBondContact N-O 2.94Å; S167-Q171 WeakPolarHBondContact OG-CA 3.24Å; S167-Q171 WeakPolarHBondContact OG-CB 3.41Å; S167-Q171 PolarHBondContact OG-N 2.96Å; S167-Q171 PolarHBondContact OG-O 3.17Å
168A93.1Very high96.3Very high47 Ų4720.6 Ų20.639%0.38812%0.117SC..THydrogen-bonded Turntrans-57.6-33178.300000113.1A114 G170 P366A114-A168 HydrophobicContact CB-CB 3.81Å; A168-G170 VanDerWaalsContact C-N 3.29Å; A168-G170 PolarHBondContact O-N 3.47Å; A168-P366 HydrophobicContact CB-CB 4.26Å
169D92.9Very high96.1Very high91 Ų9121.2 Ų21.249%0.48712%0.121SC..THydrogen-bonded Turntrans-89.620.6175.769.2-40.2000112.8S167 Q171 A354S167-D169 WeakPolarHBondContact CB-OD1 3.29Å; S167-D169 PolarHBondContact O-N 3.45Å; S167-D169 PolarHBondContact OG-OD1 3.26Å; D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.27Å; D169-A354 WeakPolarHBondContact O-CA 3.47Å; D169-A354 WeakPolarHBondContact O-CB 3.35Å
170G94.6Very high95.9Very high0 Ų021.9 Ų21.90%012%0.124CC..  trans69.715.7172.300000115.4S167 A168 P353 L357S167-G170 PolarHBondContact O-N 2.84Å; A168-G170 VanDerWaalsContact C-N 3.29Å; A168-G170 PolarHBondContact O-N 3.47Å; G170-P353 WeakPolarHBondContact O-CB 3.42Å; G170-L357 VanDerWaalsContact O-CD1 3.28Å; G170-L357 WeakPolarHBondContact O-CD1 3.4Å
171Q95.9Very high95.8Very high79 Ų7922.3 Ų22.337%0.36913%0.126SC..  trans-71.8131.6170.2-171.2174.839.700109.8P91 I166 S167 D169P91-Q171 PolarHBondContact O-NE2 3.13Å; I166-Q171 WeakPolarHBondContact CA-O 3.29Å; S167-Q171 PolarHBondContact N-O 2.94Å; S167-Q171 WeakPolarHBondContact OG-CA 3.24Å; S167-Q171 WeakPolarHBondContact OG-CB 3.41Å; S167-Q171 PolarHBondContact OG-N 2.96Å; S167-Q171 PolarHBondContact OG-O 3.17Å; D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.27Å
172V97.9Very high95.6Very high10 Ų1024 Ų246%0.06114%0.137CC..EExtended strand (participates in β ladder)trans-100.5121177.2-179.20000109.2V164 I166 L357V164-V172 HydrophobicContact CG1-CG1 3.67Å; I166-V172 HydrophobicContact CG1-CG2 4.47Å; V172-L357 HydrophobicContact CG2-CD1 3.58Å
173C97.9Very high95.4Very high3 Ų322.3 Ų22.32%0.0213%0.125CC..EExtended strand (participates in β ladder)trans-124.3132.6-179.2-72.90000111.4P91 M113 L165P91-C173 PolarHBondContact O-SG 2.95Å; M113-C173 HydrophobicContact CE-CB 3.79Å; L165-C173 PolarHBondContact N-O 3.48Å; L165-C173 PolarHBondContact O-N 2.66Å
174M97.6Very high95Very high4 Ų424.1 Ų24.12%0.0214%0.136CC..EExtended strand (participates in β ladder)trans-82.8132.7172.3-166.9170.3-73.900110.1S92 L94 M142 A145 L146 H156 H163S92-M174 PolarHBondContact O-N 2.95Å; L94-M174 PolarHBondContact N-O 3.23Å; M142-M174 HydrophobicContact CB-CE 3.48Å; M142-M174 VanDerWaalsContact CB-CE 3.48Å; M142-M174 HydrophobicContact CE-CE 3.89Å; M142-M174 HydrophobicContact CG-CE 3.71Å; A145-M174 HydrophobicContact CB-CB 3.85Å; A145-M174 HydrophobicContact CB-CE 4.21Å; A145-M174 HydrophobicContact CB-SD 4.11Å; L146-M174 HydrophobicContact CD1-CE 4.4Å; L146-M174 HydrophobicContact CD2-CE 4.31Å; L146-M174 HydrophobicContact CD2-SD 3.99Å; L146-M174 HydrophobicContact CG-CE 3.95Å; L146-M174 HydrophobicContact CG-SD 4.21Å; H156-M174 PolarHBondContact CD2-SD 2.61Å; H156-M174 WeakPolarHBondContact NE2-CG 3.21Å; H156-M174 PolarHBondContact NE2-SD 3.49Å; H156-M174 VanDerWaalsContact NE2-SD 3.4Å; H163-M174 CarbonylContact O-C 3.53Å; H163-M174 WeakPolarHBondContact O-CA 3.37Å
175S96.3Very high94.4Very high13 Ų1330.5 Ų30.59%0.09116%0.16CC..  trans-114.6-160.2173.774.10000110.1H156 H163H156-S175 PolarHBondContact CE1-O 2.83Å; H156-S175 PolarHBondContact NE2-O 2.98Å; H163-S175 WeakPolarHBondContact CA-OG 3.19Å; H163-S175 PolarHBondContact O-N 3.02Å; H163-S175 PolarHBondContact O-OG 3.15Å
176G93.3Very high93.8Very high8 Ų837.3 Ų37.38%0.08220%0.196CC..  trans78.723.4174.200000115.4S158 R178 S179S158-G176 PolarHBondContact OG-O 2.98Å; G176-R178 PolarHBondContact O-N 2.82Å; G176-S179 PolarHBondContact O-N 3.09Å
177L94.3Very high93.3Very high3 Ų340.9 Ų40.92%0.01623%0.233CC..G310 helixtrans-61.3-12.3-178.8-59.7-176.8000114.4E81 F88 I93 Y96 S179 I180E81-L177 HydrophobicContact CG-CB 4.39Å; F88-L177 HydrophobicContact CD2-CD1 4.46Å; F88-L177 HydrophobicContact CD2-CD2 4.24Å; F88-L177 HydrophobicContact CE2-CD2 4.32Å; I93-L177 HydrophobicContact CG2-CD1 4.16Å; I93-L177 HydrophobicContact CG2-CD2 4.26Å; Y96-L177 HydrophobicContact CE1-CD1 4.46Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.13Å; L177-I180 HydrophobicContact CD2-CD1 4.49Å; L177-I180 VanDerWaalsContact O-CB 3.22Å; L177-I180 WeakPolarHBondContact O-CB 3.3Å; L177-I180 WeakPolarHBondContact O-CG2 3.38Å; L177-I180 PolarHBondContact O-N 3.31Å; L177-I180 VanDerWaalsContact O-N 3.09Å
178R92.8Very high93Very high31 Ų3147.7 Ų47.712%0.11726%0.264CS..G310 helixtrans-57.7-38.4179.6-167-179.9-64.3153.6-13113.5M46 Y77 E81 G176 I180M46-R178 PolarHBondContact SD-NH2 2.9Å; Y77-R178 HydrophobicContact CD1-CG 3.86Å; Y77-R178 HydrophobicContact CE1-CG 3.45Å; Y77-R178 VanDerWaalsContact CE1-CG 3.45Å; Y77-R178 WeakPolarHBondContact CE2-O 3.45Å; Y77-R178 PolarHBondContact OH-O 3.29Å; E81-R178 HydrophobicContact CB-CB 4.39Å; E81-R178 HydrophobicContact CB-CG 4.39Å; E81-R178 HydrophobicContact CG-CB 4.12Å; E81-R178 VanDerWaalsContact OE2-CB 3.27Å; E81-R178 WeakPolarHBondContact OE2-CB 3.45Å; E81-R178 VanDerWaalsContact OE2-CG 3.3Å; E81-R178 WeakPolarHBondContact OE2-CG 3.28Å; E81-R178 IonicContact OE2-CZ 3.02Å; E81-R178 IonicContact OE2-NE 2.66Å; E81-R178 PolarHBondContact OE2-NE 2.69Å; E81-R178 IonicContact OE2-NH2 3.12Å; G176-R178 PolarHBondContact O-N 2.82Å; R178-I180 PolarHBondContact O-N 2.9Å
179S93.5Very high92.9Very high13 Ų1351.7 Ų51.79%0.09127%0.269CS..G310 helixtrans-82.50.5-178.7-57.20000113.3Y77 H156 R157 G176 L177Y77-S179 WeakPolarHBondContact OH-CA 3.3Å; H156-S179 CarbonylContact O-C 3.6Å; R157-S179 VanDerWaalsContact CZ-O 3.22Å; R157-S179 PolarHBondContact NE-O 3.44Å; R157-S179 PolarHBondContact NH2-O 3.1Å; G176-S179 PolarHBondContact O-N 3.09Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.13Å
180I93.7Very high92.8Very high16 Ų1648.8 Ų48.88%0.08226%0.258CS..  trans-65.4149.9-173.2-153.9170.9000112.2V84 F88 I149 Y154 V155 L177 R178V84-I180 HydrophobicContact CB-CG2 3.92Å; V84-I180 HydrophobicContact CG1-CD1 3.85Å; V84-I180 HydrophobicContact CG1-CG2 3.77Å; V84-I180 HydrophobicContact CG2-CG2 3.83Å; F88-I180 HydrophobicContact CD2-CD1 4.41Å; F88-I180 HydrophobicContact CE2-CD1 3.19Å; F88-I180 HydrophobicContact CZ-CD1 3.45Å; F88-I180 VanDerWaalsContact CZ-CD1 3.45Å; I149-I180 HydrophobicContact CG2-CD1 3.95Å; Y154-I180 HydrophobicContact CD1-CD1 4.04Å; Y154-I180 HydrophobicContact CD1-CG1 4.03Å; Y154-I180 HydrophobicContact CG-CD1 4.09Å; Y154-I180 HydrophobicContact CG-CG1 4.35Å; V155-I180 CarbonylContact O-C 3.6Å; V155-I180 WeakPolarHBondContact O-CA 3.48Å; V155-I180 VanDerWaalsContact O-CG1 3.22Å; V155-I180 WeakPolarHBondContact O-CG1 3.48Å; L177-I180 HydrophobicContact CD2-CD1 4.49Å; L177-I180 VanDerWaalsContact O-CB 3.22Å; L177-I180 WeakPolarHBondContact O-CB 3.3Å; L177-I180 WeakPolarHBondContact O-CG2 3.38Å; L177-I180 PolarHBondContact O-N 3.31Å; L177-I180 VanDerWaalsContact O-N 3.09Å; R178-I180 PolarHBondContact O-N 2.9Å
181F95.1Very high92.5Very high35 Ų3557.8 Ų57.815%0.15430%0.297CS..EExtended strand (participates in β ladder)trans-133.6132.2-179.6-162.6-95000112Y154 V155 R185 V193 D195Y154-F181 CarbonylContact C-O 3.6Å; Y154-F181 WeakPolarHBondContact CA-O 3.39Å; V155-F181 PolarHBondContact N-O 2.85Å; V155-F181 PolarHBondContact O-N 3.01Å; F181-R185 VanDerWaalsContact CZ-NH2 3.34Å; F181-V193 HydrophobicContact CD1-CB 4.43Å; F181-V193 HydrophobicContact CD1-CG1 3.64Å; F181-V193 HydrophobicContact CD1-CG2 3.83Å; F181-V193 HydrophobicContact CE1-CG1 3.63Å; F181-V193 HydrophobicContact CE1-CG2 4.13Å; F181-V193 HydrophobicContact CG-CG1 4.27Å; F181-V193 HydrophobicContact CZ-CG1 4.26Å; F181-D195 HydrophobicContact CD2-CB 4.23Å; F181-D195 HydrophobicContact CE2-CB 3.65Å; F181-D195 HydrophobicContact CZ-CB 3.88Å
182S94.9Very high92.4Very high35 Ų3557.3 Ų57.325%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-79.5127.1175-177.10000111I184S182-I184 PolarHBondContact OG-N 3.09Å; S182-I184 PolarHBondContact OG-O 3.03Å
183L92.4Very high92.1Very high5 Ų556.9 Ų56.93%0.02629%0.293CS..  trans-76.7-13.7166.7-64.6165.6000111.5G153 V155 R185 R189 A190 V193G153-L183 VanDerWaalsContact O-CB 3.26Å; G153-L183 WeakPolarHBondContact O-CB 3.38Å; G153-L183 PolarHBondContact O-N 3.27Å; V155-L183 HydrophobicContact CG2-CD1 4.02Å; V155-L183 HydrophobicContact CG2-CD2 4.06Å; V155-L183 HydrophobicContact CG2-CG 4.03Å; L183-R185 PolarHBondContact O-N 2.76Å; L183-R189 HydrophobicContact CB-CG 4.15Å; L183-A190 VanDerWaalsContact O-CB 3.27Å; L183-A190 WeakPolarHBondContact O-CB 3.48Å; L183-A190 PolarHBondContact O-N 3.4Å; L183-V193 HydrophobicContact CD2-CG2 3.25Å; L183-V193 HydrophobicContact CG-CG2 4.45Å
184I90.4Very high92Very high75 Ų7561.4 Ų61.439%0.38531%0.313SS..EExtended strand (participates in β ladder)trans-85.4113.7-177.3-55.2175.1000108.8S182 Q188S182-I184 PolarHBondContact OG-N 3.09Å; S182-I184 PolarHBondContact OG-O 3.03Å; I184-Q188 CarbonylContact C-O 3.59Å; I184-Q188 WeakPolarHBondContact CA-O 3.46Å
185R84.3Confident91.9Very high135 Ų13563.5 Ų63.551%0.50933%0.325SS..EExtended strand (participates in β ladder)trans-124.1128.7174.7-65.4-172.6-179.6-162.43.8109.3F181 L183 G187 Q188F181-R185 VanDerWaalsContact CZ-NH2 3.34Å; L183-R185 PolarHBondContact O-N 2.76Å; R185-G187 PolarHBondContact O-N 3.42Å; R185-Q188 PolarHBondContact N-O 2.97Å; R185-Q188 PolarHBondContact O-N 2.8Å
186N85.3Confident91.7Very high173 Ų17366.6 Ų66.693%0.92534%0.337SS*.THydrogen-bonded Turntrans50.741.1179.8-57-10.6000113.2Q188N186-Q188 PolarHBondContact O-N 3.2Å
187G87Confident91.6Very high74 Ų7466.3 Ų66.376%0.76333%0.333SS*.THydrogen-bonded Turntrans75.20.6-179.800000115.4R185R185-G187 PolarHBondContact O-N 3.42Å
188Q89.9Confident91.4Very high152 Ų15270.4 Ų70.471%0.7135%0.353SS*.EExtended strand (participates in β ladder)trans-114.3142.5177.7-62.2-173.89.100110.9I184 R185 N186 A190I184-Q188 CarbonylContact C-O 3.59Å; I184-Q188 WeakPolarHBondContact CA-O 3.46Å; R185-Q188 PolarHBondContact N-O 2.97Å; R185-Q188 PolarHBondContact O-N 2.8Å; N186-Q188 PolarHBondContact O-N 3.2Å; Q188-A190 PolarHBondContact O-N 3.16Å
189R91.5Very high91Very high130 Ų13073.4 Ų73.449%0.49137%0.365SS..EExtended strand (participates in β ladder)trans-76.5111.5172.8-173.5176.5-70.6-128.81.8108.9H150 H151 G153 L183H150-R189 PolarHBondContact O-NH1 3.28Å; H151-R189 PolarHBondContact O-NH2 2.97Å; G153-R189 VanDerWaalsContact CA-NH1 3.31Å; L183-R189 HydrophobicContact CB-CG 4.15Å
190A91.3Very high90.7Very high31 Ų3173 Ų7326%0.25636%0.362SS..  trans-62.2143.2169.700000109.9L183 Q188L183-A190 VanDerWaalsContact O-CB 3.27Å; L183-A190 WeakPolarHBondContact O-CB 3.48Å; L183-A190 PolarHBondContact O-N 3.4Å; Q188-A190 PolarHBondContact O-N 3.16Å
191K88.5Confident90.5Very high188 Ų18877.8 Ų77.882%0.81739%0.391SS*.SBendtrans-73.3-41.2177-67.5-173.9178.9-177.50111.9
192M92.6Very high90.2Very high69 Ų6982.3 Ų82.334%0.3441%0.411SS..  trans-131.2151.3-173.9-62.3-60.8-174.100111.1Q217 Y219 D220M192-Q217 WeakPolarHBondContact CG-O 3.48Å; M192-Y219 CarbonylContact C-O 3.29Å; M192-D220 HydrophobicContact SD-CB 4.3Å
193V92.8Very high90.1Very high2 Ų281 Ų811%0.01240%0.402CS..BIsolated β-bridgetrans-104.2138.5170.6-174.20000108.6V155 F181 L183 D195 G218 Y219V155-V193 HydrophobicContact CG2-CG2 4.46Å; F181-V193 HydrophobicContact CD1-CB 4.43Å; F181-V193 HydrophobicContact CD1-CG1 3.64Å; F181-V193 HydrophobicContact CD1-CG2 3.83Å; F181-V193 HydrophobicContact CE1-CG1 3.63Å; F181-V193 HydrophobicContact CE1-CG2 4.13Å; F181-V193 HydrophobicContact CG-CG1 4.27Å; F181-V193 HydrophobicContact CZ-CG1 4.26Å; L183-V193 HydrophobicContact CD2-CG2 3.25Å; L183-V193 HydrophobicContact CG-CG2 4.45Å; V193-D195 HydrophobicContact CG1-CB 3.87Å; V193-G218 CarbonylContact O-C 3.59Å; V193-G218 WeakPolarHBondContact O-CA 3.43Å; V193-Y219 HydrophobicContact CB-CD1 4.21Å; V193-Y219 HydrophobicContact CB-CD2 4.2Å; V193-Y219 HydrophobicContact CB-CE1 3.84Å; V193-Y219 HydrophobicContact CB-CE2 3.83Å; V193-Y219 HydrophobicContact CB-CG 4.37Å; V193-Y219 WeakPolarHBondContact CB-O 3.43Å; V193-Y219 HydrophobicContact CG1-CE1 3.73Å; V193-Y219 HydrophobicContact CG1-CE2 4.03Å; V193-Y219 VanDerWaalsContact CG1-CZ 3.41Å; V193-Y219 WeakPolarHBondContact CG1-OH 3.39Å; V193-Y219 HydrophobicContact CG2-CE2 4.26Å; V193-Y219 PolarHBondContact N-O 3.23Å; V193-Y219 WeakPolarHBondContact O-CD1 3.43Å; V193-Y219 PolarHBondContact O-N 3.33Å
194H94.8Very high90.2Very high97 Ų9782.1 Ų82.145%0.44941%0.407SS..  trans-119.52.9173.9-56.2-77.6000112.2Q214 L216 G218H194-Q214 PolarHBondContact O-OE1 2.86Å; H194-L216 PolarHBondContact CE1-O 2.57Å; H194-L216 VanDerWaalsContact CE1-O 3.27Å; H194-G218 WeakPolarHBondContact ND1-CA 3.26Å
195D94.7Very high90.5Very high49 Ų4979.5 Ų79.526%0.26240%0.395SS..PPolyproline II helixtrans-75.5129.3179.4-176-109.1000110.9R157 F181 V193 Y219R157-D195 IonicContact CZ-OD1 3.69Å; R157-D195 IonicContact NH1-OD1 3.69Å; R157-D195 PolarHBondContact NH1-OD1 2.86Å; R157-D195 IonicContact NH2-OD1 2.9Å; F181-D195 HydrophobicContact CD2-CB 4.23Å; F181-D195 HydrophobicContact CE2-CB 3.65Å; F181-D195 HydrophobicContact CZ-CB 3.88Å; V193-D195 HydrophobicContact CG1-CB 3.87Å; D195-Y219 VanDerWaalsContact O-CE1 3.3Å; D195-Y219 WeakPolarHBondContact O-CE1 3.06Å; D195-Y219 PolarHBondContact O-OH 3.1Å
196F93.9Very high91.2Very high78 Ų7874.1 Ų74.134%0.34238%0.375SS..PPolyproline II helixtrans-83.9128.2169.5-168.9-103.6000109.9Q198 L204 L207 L212 Q214F196-Q198 PolarHBondContact O-N 3.27Å; F196-Q198 VanDerWaalsContact O-N 3.13Å; F196-L204 HydrophobicContact CZ-CD2 3.79Å; F196-L207 HydrophobicContact CE2-CD1 4.49Å; F196-L212 HydrophobicContact CE2-CD2 4.33Å; F196-Q214 HydrophobicContact CD2-CG 3.81Å; F196-Q214 HydrophobicContact CG-CG 4.47Å
197P91.3Very high91.7Very high1 Ų166 Ų661%0.00633%0.331CS..PPolyproline II helixtrans-57.6120.1-179.1-21.130.6000112R157 S200 V211R157-P197 HydrophobicContact CB-CG 4.16Å; P197-S200 VanDerWaalsContact O-CB 3.24Å; P197-S200 WeakPolarHBondContact O-CB 3.38Å; P197-S200 PolarHBondContact O-OG 3.3Å; P197-V211 HydrophobicContact CG-CG1 4.37Å
198Q88.1Confident92.2Very high90 Ų9062.5 Ų62.542%0.42130%0.295SS..THydrogen-bonded Turntrans-71.6152176.6-59.6-176.816.500111.5Y77 F196 S200Y77-Q198 PolarHBondContact OH-O 3.5Å; Y77-Q198 VanDerWaalsContact OH-O 3.09Å; F196-Q198 PolarHBondContact O-N 3.27Å; F196-Q198 VanDerWaalsContact O-N 3.13Å; Q198-S200 PolarHBondContact O-N 2.78Å
199Y85.9Confident92.5Very high94 Ų9455.7 Ų55.737%0.36926%0.264SS..THydrogen-bonded Turntrans54.835.2179-45.9-74.9000113.8M74 Y77M74-Y199 HydrophobicContact CE-CD1 3.45Å; M74-Y199 VanDerWaalsContact CE-CD1 3.45Å; M74-Y199 HydrophobicContact CE-CD2 4.1Å; M74-Y199 HydrophobicContact CE-CE1 3.19Å; M74-Y199 HydrophobicContact CE-CE2 3.89Å; M74-Y199 HydrophobicContact CE-CG 3.89Å; M74-Y199 VanDerWaalsContact CE-CZ 3.42Å; M74-Y199 HydrophobicContact SD-CD1 4.33Å; M74-Y199 HydrophobicContact SD-CD2 3.88Å; M74-Y199 HydrophobicContact SD-CE1 4.1Å; M74-Y199 HydrophobicContact SD-CE2 3.62Å; M74-Y199 HydrophobicContact SD-CG 4.22Å; Y77-Y199 AromaticContact CD1-CD2 3.62Å; Y77-Y199 HydrophobicContact CD1-CD2 3.62Å; Y77-Y199 AromaticContact CD1-CE2 3.93Å; Y77-Y199 HydrophobicContact CD1-CE2 3.93Å; Y77-Y199 AromaticContact CE1-CD2 3.63Å; Y77-Y199 HydrophobicContact CE1-CD2 3.63Å; Y77-Y199 HydrophobicContact CE1-CE2 4.39Å; Y77-Y199 HydrophobicContact CG-CD2 4.31Å; Y77-Y199 HydrophobicContact CG-CE2 4.28Å
200S87.1Confident92.8Very high4 Ų449.9 Ų49.93%0.02824%0.242CC..  trans-110.113.2-16969.10000114.9P197 Q198 K202 V203 L204P197-S200 VanDerWaalsContact O-CB 3.24Å; P197-S200 WeakPolarHBondContact O-CB 3.38Å; P197-S200 PolarHBondContact O-OG 3.3Å; Q198-S200 PolarHBondContact O-N 2.78Å; S200-K202 PolarHBondContact O-N 3.44Å; S200-K202 VanDerWaalsContact O-N 3.15Å; S200-V203 WeakPolarHBondContact O-CA 3.48Å; S200-V203 WeakPolarHBondContact O-CB 3.43Å; S200-V203 PolarHBondContact O-N 3.38Å; S200-L204 PolarHBondContact O-N 3.4Å
201V88.2Confident93Very high116 Ų11648.6 Ų48.670%0.70323%0.231SC*.G310 helixtrans-52.8-41.8-177.91790000111.8V203 L204V201-V203 PolarHBondContact O-N 2.9Å; V201-L204 HydrophobicContact CG1-CD1 4.49Å; V201-L204 WeakPolarHBondContact O-CG 3.39Å; V201-L204 PolarHBondContact O-N 3.25Å
202K89.1Confident93.3Very high130 Ų13040.7 Ų40.757%0.56520%0.198SC*.G310 helixtrans-75.73.3177.7-64.9172.9178.6151.70114.1D43 S200 W206D43-K202 IonicContact OD1-NZ 2.8Å; D43-K202 PolarHBondContact OD1-NZ 3.03Å; S200-K202 PolarHBondContact O-N 3.44Å; S200-K202 VanDerWaalsContact O-N 3.15Å; K202-W206 VanDerWaalsContact O-CZ3 3.31Å; K202-W206 WeakPolarHBondContact O-CZ3 3.49Å
203V93.2Very high93.3Very high9 Ų940.3 Ų40.36%0.05520%0.196CC..G310 helixtrans-116.1-11.1-178.1-1740000111.5S200 V201 P205 W206 L207S200-V203 WeakPolarHBondContact O-CA 3.48Å; S200-V203 WeakPolarHBondContact O-CB 3.43Å; S200-V203 PolarHBondContact O-N 3.38Å; V201-V203 PolarHBondContact O-N 2.9Å; V203-P205 VanDerWaalsContact C-CD 3.4Å; V203-P205 VanDerWaalsContact C-N 3.32Å; V203-P205 VanDerWaalsContact O-N 3.11Å; V203-W206 PolarHBondContact O-N 2.98Å; V203-L207 HydrophobicContact CG1-CD2 4.12Å; V203-L207 HydrophobicContact CG1-CG 4.38Å; V203-L207 PolarHBondContact O-N 2.82Å
204L95Very high93.3Very high28 Ų2844.2 Ų44.215%0.14721%0.213CC..THydrogen-bonded Turntrans-49.9-39.8-175.8-60174.1000115.1F196 S200 V201 W206 L207 L212 A247 M250F196-L204 HydrophobicContact CZ-CD2 3.79Å; S200-L204 PolarHBondContact O-N 3.4Å; V201-L204 HydrophobicContact CG1-CD1 4.49Å; V201-L204 WeakPolarHBondContact O-CG 3.39Å; V201-L204 PolarHBondContact O-N 3.25Å; L204-W206 VanDerWaalsContact C-N 3.25Å; L204-W206 PolarHBondContact O-N 3.27Å; L204-L207 HydrophobicContact CD2-CD1 4.02Å; L204-L207 PolarHBondContact O-N 3.09Å; L204-L212 HydrophobicContact CD2-CD2 3.96Å; L204-A247 HydrophobicContact CD1-CB 4.17Å; L204-M250 HydrophobicContact CB-CE 3.61Å
205P96.4Very high93.2Very high19 Ų1942.5 Ų42.512%0.12321%0.208CC..THydrogen-bonded Turntrans-59.8-31.2178.5-26.536.1000115V203 V240 M250 K254V203-P205 VanDerWaalsContact C-CD 3.4Å; V203-P205 VanDerWaalsContact C-N 3.32Å; V203-P205 VanDerWaalsContact O-N 3.11Å; P205-V240 HydrophobicContact CB-CG2 3.88Å; P205-M250 VanDerWaalsContact CA-SD 3.52Å; P205-M250 HydrophobicContact CB-SD 4.06Å; P205-M250 HydrophobicContact CG-SD 3.99Å; P205-K254 WeakPolarHBondContact O-CE 3.15Å; P205-K254 PolarHBondContact O-NZ 2.98Å
206W98.1Very high93.1Very high22 Ų2248.3 Ų48.38%0.08324%0.238CC..THydrogen-bonded Turntrans-84-25.2179.8-63.6-99.3000112.6K160 K202 V203 L204 S227 I230 E234 V240K160-W206 HydrophobicContact CB-CD2 3.79Å; K160-W206 VanDerWaalsContact CB-CE2 3.44Å; K160-W206 HydrophobicContact CB-CG 3.89Å; K160-W206 HydrophobicContact CB-CZ2 3.97Å; K160-W206 VanDerWaalsContact CB-NE1 3.32Å; K160-W206 HydrophobicContact CD-CD2 4.43Å; K160-W206 HydrophobicContact CD-CE3 4.43Å; K160-W206 HydrophobicContact CD-CH2 4.4Å; K160-W206 HydrophobicContact CD-CZ2 4.37Å; K160-W206 HydrophobicContact CD-CZ3 4.43Å; K202-W206 VanDerWaalsContact O-CZ3 3.31Å; K202-W206 WeakPolarHBondContact O-CZ3 3.49Å; V203-W206 PolarHBondContact O-N 2.98Å; L204-W206 VanDerWaalsContact C-N 3.25Å; L204-W206 PolarHBondContact O-N 3.27Å; W206-S227 WeakPolarHBondContact O-CA 3.22Å; W206-S227 WeakPolarHBondContact O-CB 3.48Å; W206-S227 PolarHBondContact O-OG 3.01Å; W206-I230 HydrophobicContact CB-CG2 4.42Å; W206-I230 HydrophobicContact CG-CG2 3.99Å; W206-E234 WeakPolarHBondContact CZ2-OE2 3.36Å; W206-E234 PolarHBondContact NE1-OE2 3.41Å; W206-V240 HydrophobicContact CD2-CG2 3.94Å; W206-V240 VanDerWaalsContact CE2-CG2 3.43Å; W206-V240 HydrophobicContact CE3-CG2 4.37Å; W206-V240 HydrophobicContact CH2-CB 4.07Å; W206-V240 HydrophobicContact CH2-CG1 3.95Å; W206-V240 HydrophobicContact CH2-CG2 3.96Å; W206-V240 HydrophobicContact CZ2-CB 3.66Å; W206-V240 HydrophobicContact CZ2-CG1 4.07Å; W206-V240 HydrophobicContact CZ2-CG2 3.48Å; W206-V240 VanDerWaalsContact CZ2-CG2 3.48Å; W206-V240 HydrophobicContact CZ3-CG2 4.38Å
207L97.3Very high93.1Very high3 Ų350.8 Ų50.82%0.01625%0.251CS..SBendtrans-62.4142-179.1-61.9-176.2000111.6F196 V203 L204 V211 L212 Y226 K254F196-L207 HydrophobicContact CE2-CD1 4.49Å; V203-L207 HydrophobicContact CG1-CD2 4.12Å; V203-L207 HydrophobicContact CG1-CG 4.38Å; V203-L207 PolarHBondContact O-N 2.82Å; L204-L207 HydrophobicContact CD2-CD1 4.02Å; L204-L207 PolarHBondContact O-N 3.09Å; L207-V211 HydrophobicContact CB-CB 4.46Å; L207-V211 HydrophobicContact CB-CG1 4.35Å; L207-V211 HydrophobicContact CD1-CG1 4.02Å; L207-V211 HydrophobicContact CD2-CG1 4.32Å; L207-V211 HydrophobicContact CG-CG1 4.47Å; L207-L212 HydrophobicContact CB-CD1 4.48Å; L207-L212 HydrophobicContact CB-CD2 3.86Å; L207-L212 HydrophobicContact CB-CG 4.01Å; L207-L212 HydrophobicContact CD1-CD2 3.91Å; L207-Y226 WeakPolarHBondContact O-CE1 3.45Å; L207-K254 PolarHBondContact O-NZ 3.29Å
208S97.2Very high93.2Very high0 Ų051.1 Ų51.10%025%0.254CS..  trans-74.1156.3179.465.60000112E210 V211 L212 S223 Y226S208-E210 VanDerWaalsContact CB-CD 3.49Å; S208-E210 WeakPolarHBondContact CB-OE1 3.36Å; S208-E210 WeakPolarHBondContact CB-OE2 3.42Å; S208-E210 PolarHBondContact O-N 3.22Å; S208-E210 PolarHBondContact OG-OE1 3.09Å; S208-E210 PolarHBondContact OG-OE2 3.09Å; S208-V211 PolarHBondContact O-N 2.84Å; S208-V211 VanDerWaalsContact O-N 3.09Å; S208-V211 VanDerWaalsContact OG-CG2 3.3Å; S208-V211 WeakPolarHBondContact OG-CG2 3.49Å; S208-L212 WeakPolarHBondContact O-CG 3.26Å; S208-L212 PolarHBondContact O-N 2.77Å; S208-L212 VanDerWaalsContact O-N 3.13Å; S208-S223 VanDerWaalsContact OG-CB 3.26Å; S208-S223 WeakPolarHBondContact OG-CB 3.48Å; S208-Y226 VanDerWaalsContact CA-CD1 3.4Å
209P96.2Very high93.7Very high9 Ų947 Ų476%0.05824%0.235CC..Hα-helixtrans-55.3-39.2-179.8-22.431.6000112.4V211 L212 Q213 Y226 K254 L255P209-V211 VanDerWaalsContact C-N 3.33Å; P209-V211 PolarHBondContact O-N 3.3Å; P209-L212 PolarHBondContact O-N 3.42Å; P209-L212 VanDerWaalsContact O-N 3.17Å; P209-Q213 WeakPolarHBondContact O-CB 3.48Å; P209-Q213 PolarHBondContact O-N 3.48Å; P209-Y226 HydrophobicContact CG-CE2 4.29Å; P209-K254 HydrophobicContact CB-CB 4.46Å; P209-K254 HydrophobicContact CG-CB 4.18Å; P209-L255 HydrophobicContact CB-CD2 4.35Å
210E96.5Very high94.2Very high8 Ų843.1 Ų43.14%0.03722%0.22CC..Hα-helixtrans-71.4-24.4-17971.7-78174.100114.2S208 Q213 S223 P331 R334S208-E210 VanDerWaalsContact CB-CD 3.49Å; S208-E210 WeakPolarHBondContact CB-OE1 3.36Å; S208-E210 WeakPolarHBondContact CB-OE2 3.42Å; S208-E210 PolarHBondContact O-N 3.22Å; S208-E210 PolarHBondContact OG-OE1 3.09Å; S208-E210 PolarHBondContact OG-OE2 3.09Å; E210-Q213 WeakPolarHBondContact O-CG 3.22Å; E210-S223 WeakPolarHBondContact OE1-CA 3.34Å; E210-P331 HydrophobicContact CG-CG 4.41Å; E210-R334 IonicContact OE1-CZ 3.65Å; E210-R334 IonicContact OE1-NH1 2.79Å; E210-R334 PolarHBondContact OE1-NH1 3.42Å; E210-R334 IonicContact OE1-NH2 2.66Å; E210-R334 IonicContact OE2-CZ 3.96Å; E210-R334 IonicContact OE2-NH1 3.08Å; E210-R334 PolarHBondContact OE2-NH1 3.03Å; E210-R334 IonicContact OE2-NH2 3.99Å; E210-R334 PolarHBondContact OE2-NH2 3.41Å
211V96.6Very high94.7Very high4 Ų445.7 Ų45.72%0.02423%0.231CC..Hα-helixtrans-73.4-41.1168.8175.40000109.9P197 L207 S208 P209 Q214 Y219P197-V211 HydrophobicContact CG-CG1 4.37Å; L207-V211 HydrophobicContact CB-CB 4.46Å; L207-V211 HydrophobicContact CB-CG1 4.35Å; L207-V211 HydrophobicContact CD1-CG1 4.02Å; L207-V211 HydrophobicContact CD2-CG1 4.32Å; L207-V211 HydrophobicContact CG-CG1 4.47Å; S208-V211 PolarHBondContact O-N 2.84Å; S208-V211 VanDerWaalsContact O-N 3.09Å; S208-V211 VanDerWaalsContact OG-CG2 3.3Å; S208-V211 WeakPolarHBondContact OG-CG2 3.49Å; P209-V211 VanDerWaalsContact C-N 3.33Å; P209-V211 PolarHBondContact O-N 3.3Å; V211-Q214 PolarHBondContact O-NE2 2.79Å; V211-Y219 HydrophobicContact CB-CD1 4.32Å; V211-Y219 HydrophobicContact CG1-CE1 4.32Å; V211-Y219 HydrophobicContact CG2-CD1 3.75Å; V211-Y219 HydrophobicContact CG2-CD2 3.66Å; V211-Y219 HydrophobicContact CG2-CE1 4.1Å; V211-Y219 HydrophobicContact CG2-CE2 4.03Å; V211-Y219 HydrophobicContact CG2-CG 3.51Å
212L94.9Very high95.2Very high22 Ų2241.7 Ų41.712%0.11520%0.203CC..Hα-helixtrans-75.7-31.3-174.8-63172.5000113.7F196 L204 L207 S208 P209 Q214 L251 K254F196-L212 HydrophobicContact CE2-CD2 4.33Å; L204-L212 HydrophobicContact CD2-CD2 3.96Å; L207-L212 HydrophobicContact CB-CD1 4.48Å; L207-L212 HydrophobicContact CB-CD2 3.86Å; L207-L212 HydrophobicContact CB-CG 4.01Å; L207-L212 HydrophobicContact CD1-CD2 3.91Å; S208-L212 WeakPolarHBondContact O-CG 3.26Å; S208-L212 PolarHBondContact O-N 2.77Å; S208-L212 VanDerWaalsContact O-N 3.13Å; P209-L212 PolarHBondContact O-N 3.42Å; P209-L212 VanDerWaalsContact O-N 3.17Å; L212-Q214 VanDerWaalsContact C-N 3.27Å; L212-Q214 PolarHBondContact O-N 2.94Å; L212-L251 HydrophobicContact CB-CD1 3.6Å; L212-L251 HydrophobicContact CD1-CD1 4.25Å; L212-K254 HydrophobicContact CD1-CD 3.54Å
213Q92.6Very high95.6Very high62 Ų6235.6 Ų35.629%0.2918%0.177SC..THydrogen-bonded Turntrans-70.3-18.4-176.670.1-176.2-8.800114.6P209 E210 N215 L255P209-Q213 WeakPolarHBondContact O-CB 3.48Å; P209-Q213 PolarHBondContact O-N 3.48Å; E210-Q213 WeakPolarHBondContact O-CG 3.22Å; Q213-N215 VanDerWaalsContact C-N 3.34Å; Q213-N215 HydrophobicContact CG-CB 4.43Å; Q213-N215 PolarHBondContact NE2-ND2 2.94Å; Q213-N215 VanDerWaalsContact NE2-ND2 3.18Å; Q213-N215 PolarHBondContact NE2-OD1 2.88Å; Q213-N215 PolarHBondContact O-N 3.02Å; Q213-N215 PolarHBondContact OE1-ND2 3.2Å; Q213-L255 HydrophobicContact CB-CD2 4.22Å
214Q92.8Very high95.9Very high83 Ų8335.2 Ų35.239%0.38818%0.175SC..  trans4650.2174.6-69.7-64.3-62.300114.6H194 F196 V211 L212H194-Q214 PolarHBondContact O-OE1 2.86Å; F196-Q214 HydrophobicContact CD2-CG 3.81Å; F196-Q214 HydrophobicContact CG-CG 4.47Å; V211-Q214 PolarHBondContact O-NE2 2.79Å; L212-Q214 VanDerWaalsContact C-N 3.27Å; L212-Q214 PolarHBondContact O-N 2.94Å
215N92.3Very high96.1Very high61 Ų6133.9 Ų33.933%0.32617%0.168SC..  trans-110.3-179179.572.314.4000112.3Q213 Q217 G218Q213-N215 VanDerWaalsContact C-N 3.34Å; Q213-N215 HydrophobicContact CG-CB 4.43Å; Q213-N215 PolarHBondContact NE2-ND2 2.94Å; Q213-N215 VanDerWaalsContact NE2-ND2 3.18Å; Q213-N215 PolarHBondContact NE2-OD1 2.88Å; Q213-N215 PolarHBondContact O-N 3.02Å; Q213-N215 PolarHBondContact OE1-ND2 3.2Å; N215-Q217 PolarHBondContact O-N 2.86Å; N215-Q217 VanDerWaalsContact OD1-CB 3.3Å; N215-Q217 WeakPolarHBondContact OD1-CB 3.23Å; N215-Q217 PolarHBondContact OD1-N 3.31Å; N215-G218 PolarHBondContact O-N 3.48Å
216L92.6Very high96.2Very high171 Ų17133.2 Ų33.290%0.89516%0.163SC*.THydrogen-bonded Turntrans-68.7-9.2-178.3-64.1178.2000114.6H194H194-L216 PolarHBondContact CE1-O 2.57Å; H194-L216 VanDerWaalsContact CE1-O 3.27Å
217Q92.8Very high96.2Very high131 Ų13132.3 Ų32.361%0.61216%0.16SC*.THydrogen-bonded Turntrans-73.3-33174.4-62.5179.3-25.800111.1M192 N215M192-Q217 WeakPolarHBondContact CG-O 3.48Å; N215-Q217 PolarHBondContact O-N 2.86Å; N215-Q217 VanDerWaalsContact OD1-CB 3.3Å; N215-Q217 WeakPolarHBondContact OD1-CB 3.23Å; N215-Q217 PolarHBondContact OD1-N 3.31Å
218G95.3Very high96.3Very high8 Ų832.1 Ų32.18%0.08216%0.159CC..  trans63.7-162-174.500000112.8V193 H194 N215V193-G218 CarbonylContact O-C 3.59Å; V193-G218 WeakPolarHBondContact O-CA 3.43Å; H194-G218 WeakPolarHBondContact ND1-CA 3.26Å; N215-G218 PolarHBondContact O-N 3.48Å
219Y97.3Very high96.3Very high4 Ų432.1 Ų32.12%0.01616%0.159CC..BIsolated β-bridgetrans-147.1168.1179.568.1-89.4000111.6V155 R157 M192 V193 D195 V211 S223V155-Y219 HydrophobicContact CG1-CE2 4.21Å; R157-Y219 WeakPolarHBondContact CD-OH 3.47Å; R157-Y219 HydrophobicContact CG-CE2 4.4Å; R157-Y219 PolarHBondContact NH1-OH 3.24Å; M192-Y219 CarbonylContact C-O 3.29Å; V193-Y219 HydrophobicContact CB-CD1 4.21Å; V193-Y219 HydrophobicContact CB-CD2 4.2Å; V193-Y219 HydrophobicContact CB-CE1 3.84Å; V193-Y219 HydrophobicContact CB-CE2 3.83Å; V193-Y219 HydrophobicContact CB-CG 4.37Å; V193-Y219 WeakPolarHBondContact CB-O 3.43Å; V193-Y219 HydrophobicContact CG1-CE1 3.73Å; V193-Y219 HydrophobicContact CG1-CE2 4.03Å; V193-Y219 VanDerWaalsContact CG1-CZ 3.41Å; V193-Y219 WeakPolarHBondContact CG1-OH 3.39Å; V193-Y219 HydrophobicContact CG2-CE2 4.26Å; V193-Y219 PolarHBondContact N-O 3.23Å; V193-Y219 WeakPolarHBondContact O-CD1 3.43Å; V193-Y219 PolarHBondContact O-N 3.33Å; D195-Y219 VanDerWaalsContact O-CE1 3.3Å; D195-Y219 WeakPolarHBondContact O-CE1 3.06Å; D195-Y219 PolarHBondContact O-OH 3.1Å; V211-Y219 HydrophobicContact CB-CD1 4.32Å; V211-Y219 HydrophobicContact CG1-CE1 4.32Å; V211-Y219 HydrophobicContact CG2-CD1 3.75Å; V211-Y219 HydrophobicContact CG2-CD2 3.66Å; V211-Y219 HydrophobicContact CG2-CE1 4.1Å; V211-Y219 HydrophobicContact CG2-CE2 4.03Å; V211-Y219 HydrophobicContact CG2-CG 3.51Å; Y219-S223 WeakPolarHBondContact CD2-OG 3.41Å
220D96.8Very high96.5Very high12 Ų1231.7 Ų31.76%0.06416%0.156CC..  trans-135.9-161.6175.768.912.5000111.9M192 R222 S223M192-D220 HydrophobicContact SD-CB 4.3Å; D220-R222 PolarHBondContact O-N 3.07Å; D220-R222 VanDerWaalsContact O-N 3.07Å; D220-R222 VanDerWaalsContact OD1-CB 3.23Å; D220-R222 WeakPolarHBondContact OD1-CB 3.47Å; D220-R222 WeakPolarHBondContact OD1-CG 3.48Å; D220-R222 IonicContact OD1-CZ 3.15Å; D220-R222 PolarHBondContact OD1-N 3.27Å; D220-R222 IonicContact OD1-NE 2.67Å; D220-R222 PolarHBondContact OD1-NE 3.04Å; D220-R222 VanDerWaalsContact OD1-NE 3.08Å; D220-R222 IonicContact OD1-NH2 3.56Å; D220-R222 IonicContact OD2-CZ 3.49Å; D220-R222 IonicContact OD2-NE 2.71Å; D220-R222 PolarHBondContact OD2-NE 2.89Å; D220-R222 IonicContact OD2-NH2 2.78Å; D220-R222 PolarHBondContact OD2-NH2 3.41Å; D220-S223 WeakPolarHBondContact O-CB 3.28Å; D220-S223 PolarHBondContact O-N 3.44Å; D220-S223 VanDerWaalsContact O-N 3.09Å; D220-S223 PolarHBondContact O-OG 3.49Å
221F97.2Very high96.6Very high58 Ų5831.3 Ų31.325%0.25415%0.154SC..THydrogen-bonded Turntrans-59.4-17.6-179.166.8-95.3000114.4H150 V155 S223 D224H150-F221 HydrophobicContact CB-CB 4.16Å; H150-F221 HydrophobicContact CB-CD2 4.39Å; H150-F221 HydrophobicContact CB-CG 4.3Å; H150-F221 PolarHBondContact CE1-O 3.42Å; H150-F221 VanDerWaalsContact CE1-O 3.27Å; H150-F221 AromaticContact ND1-CD2 3.57Å; V155-F221 HydrophobicContact CG2-CB 4.35Å; F221-S223 PolarHBondContact O-N 2.79Å; F221-D224 WeakPolarHBondContact O-CB 3.38Å; F221-D224 PolarHBondContact O-N 3.31Å; F221-D224 VanDerWaalsContact O-N 3.16Å
222R98.4Very high96.7Very high32 Ų3231.1 Ų31.112%0.12115%0.153CC..Hα-helixtrans-73.3-13.6177.4-63171.8-74.2-178.7-3.1112.8D220 D224 I225 Y226 P331 E332 R334D220-R222 PolarHBondContact O-N 3.07Å; D220-R222 VanDerWaalsContact O-N 3.07Å; D220-R222 VanDerWaalsContact OD1-CB 3.23Å; D220-R222 WeakPolarHBondContact OD1-CB 3.47Å; D220-R222 WeakPolarHBondContact OD1-CG 3.48Å; D220-R222 IonicContact OD1-CZ 3.15Å; D220-R222 PolarHBondContact OD1-N 3.27Å; D220-R222 IonicContact OD1-NE 2.67Å; D220-R222 PolarHBondContact OD1-NE 3.04Å; D220-R222 VanDerWaalsContact OD1-NE 3.08Å; D220-R222 IonicContact OD1-NH2 3.56Å; D220-R222 IonicContact OD2-CZ 3.49Å; D220-R222 IonicContact OD2-NE 2.71Å; D220-R222 PolarHBondContact OD2-NE 2.89Å; D220-R222 IonicContact OD2-NH2 2.78Å; D220-R222 PolarHBondContact OD2-NH2 3.41Å; R222-D224 VanDerWaalsContact C-N 3.3Å; R222-I225 WeakPolarHBondContact O-CB 3.41Å; R222-I225 PolarHBondContact O-N 2.73Å; R222-Y226 PolarHBondContact O-N 2.88Å; R222-P331 HydrophobicContact CB-CB 4.29Å; R222-P331 WeakPolarHBondContact CD-O 3.23Å; R222-E332 IonicContact CZ-OE1 3.53Å; R222-E332 VanDerWaalsContact CZ-OE1 3.26Å; R222-E332 IonicContact CZ-OE2 3.31Å; R222-E332 VanDerWaalsContact NH1-CA 3.34Å; R222-E332 IonicContact NH1-OE1 2.89Å; R222-E332 PolarHBondContact NH1-OE1 3.36Å; R222-E332 VanDerWaalsContact NH1-OE1 3.15Å; R222-E332 IonicContact NH1-OE2 3.49Å; R222-E332 PolarHBondContact NH1-OE2 3Å; R222-E332 IonicContact NH2-OE1 2.7Å; R222-E332 PolarHBondContact NH2-OE1 3.26Å; R222-E332 IonicContact NH2-OE2 3.53Å; R222-R334 HydrophobicContact CB-CB 4.48Å; R222-R334 WeakPolarHBondContact O-CD 3.26Å; R222-R334 PolarHBondContact O-NH1 3.25Å
223S98.5Very high96.9Very high2 Ų230.1 Ų30.11%0.01415%0.148CC..Hα-helixtrans-63.1-34.616761.50000112.5S208 E210 Y219 D220 F221 I225 Y226 S227S208-S223 VanDerWaalsContact OG-CB 3.26Å; S208-S223 WeakPolarHBondContact OG-CB 3.48Å; E210-S223 WeakPolarHBondContact OE1-CA 3.34Å; Y219-S223 WeakPolarHBondContact CD2-OG 3.41Å; D220-S223 WeakPolarHBondContact O-CB 3.28Å; D220-S223 PolarHBondContact O-N 3.44Å; D220-S223 VanDerWaalsContact O-N 3.09Å; D220-S223 PolarHBondContact O-OG 3.49Å; F221-S223 PolarHBondContact O-N 2.79Å; S223-I225 VanDerWaalsContact C-N 3.29Å; S223-I225 PolarHBondContact O-N 3.19Å; S223-Y226 PolarHBondContact O-N 3.48Å; S223-S227 PolarHBondContact O-N 3.27Å; S223-S227 VanDerWaalsContact O-N 3.13Å; S223-S227 PolarHBondContact O-OG 3.19Å
224D98.8Very high97.1Very high0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-68.6-30.3174.8-69.4-31.6000111.7L146 H150 V155 H156 R157 V159 F221 R222 S227 L228L146-D224 HydrophobicContact CD1-CB 4.38Å; L146-D224 HydrophobicContact CD2-CB 4.01Å; H150-D224 IonicContact CD2-OD2 3.15Å; H150-D224 IonicContact CE1-OD2 2.67Å; H150-D224 IonicContact NE2-OD2 3.26Å; H150-D224 PolarHBondContact NE2-OD2 2.93Å; V155-D224 WeakPolarHBondContact CG1-OD2 3.16Å; H156-D224 WeakPolarHBondContact CB-OD2 3.16Å; H156-D224 PolarHBondContact N-OD1 3.25Å; H156-D224 PolarHBondContact N-OD2 3.13Å; R157-D224 PolarHBondContact N-OD1 2.92Å; V159-D224 HydrophobicContact CG2-CB 4.08Å; F221-D224 WeakPolarHBondContact O-CB 3.38Å; F221-D224 PolarHBondContact O-N 3.31Å; F221-D224 VanDerWaalsContact O-N 3.16Å; R222-D224 VanDerWaalsContact C-N 3.3Å; D224-S227 CarbonylContact O-C 3.59Å; D224-S227 WeakPolarHBondContact O-CB 3.48Å; D224-S227 PolarHBondContact O-N 3.23Å; D224-L228 WeakPolarHBondContact O-CB 3.36Å; D224-L228 PolarHBondContact O-N 2.78Å
225I98.8Very high97.4Very high0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-68.8-38.8177.7-56.2-57.8000111.1R222 S223 S227 L228 G229 C326 R334 A337 L340R222-I225 WeakPolarHBondContact O-CB 3.41Å; R222-I225 PolarHBondContact O-N 2.73Å; S223-I225 VanDerWaalsContact C-N 3.29Å; S223-I225 PolarHBondContact O-N 3.19Å; I225-S227 VanDerWaalsContact C-N 3.35Å; I225-L228 WeakPolarHBondContact O-CB 3.25Å; I225-L228 PolarHBondContact O-N 3.01Å; I225-G229 PolarHBondContact O-N 3.21Å; I225-G229 VanDerWaalsContact O-N 3.09Å; I225-C326 HydrophobicContact CG2-CB 4.31Å; I225-C326 WeakPolarHBondContact O-CB 3Å; I225-R334 HydrophobicContact CG2-CB 4.27Å; I225-A337 HydrophobicContact CD1-CB 4.05Å; I225-L340 HydrophobicContact CD1-CD1 4.34Å; I225-L340 HydrophobicContact CG2-CD1 3.66Å
226Y98.6Very high97.7Very high6 Ų620.4 Ų20.42%0.02410%0.1CC..Hα-helixtrans-61.9-45.6170.1177.3-81.4000111.3L207 S208 P209 R222 S223 L228 G229 I230 K254 C326 L327L207-Y226 WeakPolarHBondContact O-CE1 3.45Å; S208-Y226 VanDerWaalsContact CA-CD1 3.4Å; P209-Y226 HydrophobicContact CG-CE2 4.29Å; R222-Y226 PolarHBondContact O-N 2.88Å; S223-Y226 PolarHBondContact O-N 3.48Å; Y226-L228 PolarHBondContact O-N 2.47Å; Y226-G229 WeakPolarHBondContact O-CA 3.49Å; Y226-G229 PolarHBondContact O-N 3.13Å; Y226-I230 HydrophobicContact CD1-CG1 3.93Å; Y226-I230 HydrophobicContact CE1-CD1 3.84Å; Y226-I230 HydrophobicContact CE1-CG1 3.47Å; Y226-I230 VanDerWaalsContact CE1-CG1 3.47Å; Y226-I230 PolarHBondContact O-N 2.96Å; Y226-K254 PolarHBondContact OH-NZ 3.05Å; Y226-C326 WeakPolarHBondContact CA-O 3.06Å; Y226-L327 HydrophobicContact CD2-CD2 3.87Å; Y226-L327 HydrophobicContact CE2-CD2 3.82Å; Y226-L327 HydrophobicContact CG-CD2 4.25Å
227S98.8Very high97.8Very high2 Ų212.5 Ų12.51%0.0146%0.059CC..Hα-helixtrans-60.5-35.1177.9-52.60000111.9W206 S223 D224 I225 I230 T231W206-S227 WeakPolarHBondContact O-CA 3.22Å; W206-S227 WeakPolarHBondContact O-CB 3.48Å; W206-S227 PolarHBondContact O-OG 3.01Å; S223-S227 PolarHBondContact O-N 3.27Å; S223-S227 VanDerWaalsContact O-N 3.13Å; S223-S227 PolarHBondContact O-OG 3.19Å; D224-S227 CarbonylContact O-C 3.59Å; D224-S227 WeakPolarHBondContact O-CB 3.48Å; D224-S227 PolarHBondContact O-N 3.23Å; I225-S227 VanDerWaalsContact C-N 3.35Å; S227-I230 PolarHBondContact O-N 2.86Å; S227-T231 WeakPolarHBondContact O-CB 3.37Å; S227-T231 PolarHBondContact O-N 3.18Å; S227-T231 PolarHBondContact O-OG1 3.18Å
228L98.9Very high97.9Very high0 Ų06.7 Ų6.70%03%0.034CC..Hα-helixtrans-63.3-41.5171.7-175.273.5000111.8L139 M142 L143 L146 V159 D224 I225 Y226 T231 A232 F322 L340L139-L228 HydrophobicContact CD2-CD1 3.73Å; L139-L228 HydrophobicContact CD2-CG 4.28Å; M142-L228 HydrophobicContact CB-CD1 3.87Å; M142-L228 HydrophobicContact CE-CD1 3.67Å; M142-L228 HydrophobicContact SD-CD1 3.98Å; L143-L228 HydrophobicContact CD1-CD2 4.46Å; L143-L228 HydrophobicContact CD2-CD2 3.42Å; L143-L228 VanDerWaalsContact CD2-CD2 3.42Å; L143-L228 HydrophobicContact CG-CD2 3.76Å; L146-L228 HydrophobicContact CD1-CD1 4.44Å; V159-L228 HydrophobicContact CG1-CB 4.38Å; V159-L228 HydrophobicContact CG1-CD1 4.37Å; D224-L228 WeakPolarHBondContact O-CB 3.36Å; D224-L228 PolarHBondContact O-N 2.78Å; I225-L228 WeakPolarHBondContact O-CB 3.25Å; I225-L228 PolarHBondContact O-N 3.01Å; Y226-L228 PolarHBondContact O-N 2.47Å; L228-T231 CarbonylContact O-C 3.14Å; L228-T231 WeakPolarHBondContact O-CB 3.2Å; L228-T231 PolarHBondContact O-N 3.19Å; L228-A232 PolarHBondContact O-N 3.21Å; L228-F322 HydrophobicContact CD2-CZ 4.03Å; L228-L340 HydrophobicContact CD2-CD1 4.47Å
229G98.8Very high97.9Very high0 Ų09.1 Ų9.10%04%0.043CC..Hα-helixtrans-61.7-43.6173.400000112.7I225 Y226 T231 A232 C233I225-G229 PolarHBondContact O-N 3.21Å; I225-G229 VanDerWaalsContact O-N 3.09Å; Y226-G229 WeakPolarHBondContact O-CA 3.49Å; Y226-G229 PolarHBondContact O-N 3.13Å; G229-T231 VanDerWaalsContact C-N 3.3Å; G229-T231 PolarHBondContact O-N 3.35Å; G229-A232 WeakPolarHBondContact O-CB 3.46Å; G229-A232 PolarHBondContact O-N 3.49Å; G229-C233 PolarHBondContact O-N 2.71Å; G229-C233 VanDerWaalsContact O-N 3.07Å
230I98.7Very high97.8Very high0 Ų09.3 Ų9.30%04%0.044CC..Hα-helixtrans-62.6-40.2174-60.4-62.8000110.7W206 Y226 S227 A232 C233 E234 V240 P241 P260 L327W206-I230 HydrophobicContact CB-CG2 4.42Å; W206-I230 HydrophobicContact CG-CG2 3.99Å; Y226-I230 HydrophobicContact CD1-CG1 3.93Å; Y226-I230 HydrophobicContact CE1-CD1 3.84Å; Y226-I230 HydrophobicContact CE1-CG1 3.47Å; Y226-I230 VanDerWaalsContact CE1-CG1 3.47Å; Y226-I230 PolarHBondContact O-N 2.96Å; S227-I230 PolarHBondContact O-N 2.86Å; I230-A232 VanDerWaalsContact C-N 3.33Å; I230-A232 PolarHBondContact O-N 2.81Å; I230-C233 PolarHBondContact O-N 3.06Å; I230-E234 PolarHBondContact O-N 3.24Å; I230-V240 HydrophobicContact CG2-CG2 3.79Å; I230-P241 HydrophobicContact CD1-CG 4.38Å; I230-P241 HydrophobicContact CG2-CG 4.23Å; I230-P260 HydrophobicContact CD1-CB 4.3Å; I230-P260 HydrophobicContact CD1-CG 3.74Å; I230-L327 HydrophobicContact CD1-CD2 3.68Å; I230-L327 HydrophobicContact CG1-CD2 3.91Å
231T98.8Very high97.7Very high0 Ų09.4 Ų9.40%05%0.046CC..Hα-helixtrans-65.3-36.7176.1-52.50000111.7M142 V159 K160 A161 S227 L228 G229 E234 L235M142-T231 HydrophobicContact CE-CG2 3.92Å; M142-T231 HydrophobicContact SD-CG2 4.28Å; V159-T231 PolarHBondContact O-OG1 3.25Å; K160-T231 WeakPolarHBondContact CA-OG1 3Å; A161-T231 HydrophobicContact CB-CG2 4.43Å; S227-T231 WeakPolarHBondContact O-CB 3.37Å; S227-T231 PolarHBondContact O-N 3.18Å; S227-T231 PolarHBondContact O-OG1 3.18Å; L228-T231 CarbonylContact O-C 3.14Å; L228-T231 WeakPolarHBondContact O-CB 3.2Å; L228-T231 PolarHBondContact O-N 3.19Å; G229-T231 VanDerWaalsContact C-N 3.3Å; G229-T231 PolarHBondContact O-N 3.35Å; T231-E234 WeakPolarHBondContact O-CB 3.47Å; T231-E234 PolarHBondContact O-N 3.34Å; T231-L235 HydrophobicContact CG2-CD1 4.06Å; T231-L235 HydrophobicContact CG2-CG 4.26Å; T231-L235 WeakPolarHBondContact O-CB 3.26Å; T231-L235 VanDerWaalsContact O-CG 3.23Å; T231-L235 WeakPolarHBondContact O-CG 3.3Å; T231-L235 PolarHBondContact O-N 3.44Å
232A98.8Very high97.5Very high0 Ų08.1 Ų8.10%04%0.04CC..Hα-helixtrans-62-43.4173.800000111.5L139 L228 G229 I230 L235 A236 F319 V323L139-A232 HydrophobicContact CD1-CB 3.75Å; L139-A232 HydrophobicContact CD2-CB 4.25Å; L228-A232 PolarHBondContact O-N 3.21Å; G229-A232 WeakPolarHBondContact O-CB 3.46Å; G229-A232 PolarHBondContact O-N 3.49Å; I230-A232 VanDerWaalsContact C-N 3.33Å; I230-A232 PolarHBondContact O-N 2.81Å; A232-L235 PolarHBondContact O-N 3.09Å; A232-A236 WeakPolarHBondContact O-CB 3.16Å; A232-A236 PolarHBondContact O-N 3.23Å; A232-F319 HydrophobicContact CB-CE2 4.12Å; A232-F319 HydrophobicContact CB-CZ 4.38Å; A232-V323 HydrophobicContact CB-CG2 3.84Å
233C98.5Very high96.9Very high0 Ų012 Ų120%06%0.058CC..Hα-helixtrans-63.3-40.4171.6-63.80000112G229 I230 A236 N237 P241G229-C233 PolarHBondContact O-N 2.71Å; G229-C233 VanDerWaalsContact O-N 3.07Å; I230-C233 PolarHBondContact O-N 3.06Å; C233-A236 PolarHBondContact O-N 2.89Å; C233-N237 WeakPolarHBondContact O-CB 3.35Å; C233-N237 PolarHBondContact O-N 3.19Å; C233-N237 PolarHBondContact O-ND2 2.8Å; C233-P241 HydrophobicContact CB-CG 3.75Å
234E98.4Very high96.4Very high3 Ų318.8 Ų18.81%0.0149%0.094CC..Hα-helixtrans-60.5-47.8176.6-179.9-176-16400112.1R119 I122 A161 W206 I230 T231 G238 H239 V240R119-E234 IonicContact NH1-OE1 3.84Å; I122-E234 HydrophobicContact CD1-CG 4.26Å; A161-E234 HydrophobicContact CB-CG 4.15Å; A161-E234 VanDerWaalsContact CB-OE2 3.22Å; A161-E234 WeakPolarHBondContact CB-OE2 3.45Å; A161-E234 PolarHBondContact N-OE2 3.28Å; W206-E234 WeakPolarHBondContact CZ2-OE2 3.36Å; W206-E234 PolarHBondContact NE1-OE2 3.41Å; I230-E234 PolarHBondContact O-N 3.24Å; T231-E234 WeakPolarHBondContact O-CB 3.47Å; T231-E234 PolarHBondContact O-N 3.34Å; E234-G238 WeakPolarHBondContact O-CA 3.41Å; E234-G238 PolarHBondContact O-N 3.48Å; E234-H239 WeakPolarHBondContact CA-O 3.21Å; E234-V240 HydrophobicContact CB-CB 4.41Å; E234-V240 HydrophobicContact CG-CB 4.25Å
235L98.5Very high96.1Very high0 Ų021.3 Ų21.30%011%0.107CC..Hα-helixtrans-65.7-39.5178.8-66.9165.8000111.8A118 I122 G129 M130 I135 I138 L139 A161 T231 A232A118-L235 HydrophobicContact CB-CD2 3.69Å; I122-L235 HydrophobicContact CD1-CD2 4.2Å; G129-L235 CarbonylContact C-O 3.6Å; G129-L235 VanDerWaalsContact CA-O 3.29Å; G129-L235 WeakPolarHBondContact CA-O 3.43Å; M130-L235 PolarHBondContact N-O 2.97Å; M130-L235 HydrophobicContact SD-CD2 3.99Å; I135-L235 HydrophobicContact CD1-CB 4.2Å; I135-L235 HydrophobicContact CG1-CB 4Å; I135-L235 HydrophobicContact CG2-CB 4.3Å; I135-L235 HydrophobicContact CG2-CD1 4.21Å; I138-L235 HydrophobicContact CD1-CD2 4.35Å; I138-L235 HydrophobicContact CG2-CD1 3.77Å; L139-L235 HydrophobicContact CD2-CD1 4.04Å; L139-L235 HydrophobicContact CG-CD1 4.39Å; A161-L235 HydrophobicContact CB-CD2 4.12Å; T231-L235 HydrophobicContact CG2-CD1 4.06Å; T231-L235 HydrophobicContact CG2-CG 4.26Å; T231-L235 WeakPolarHBondContact O-CB 3.26Å; T231-L235 VanDerWaalsContact O-CG 3.23Å; T231-L235 WeakPolarHBondContact O-CG 3.3Å; T231-L235 PolarHBondContact O-N 3.44Å; A232-L235 PolarHBondContact O-N 3.09Å
236A97.6Very high95.9Very high0 Ų024.9 Ų24.90%013%0.13CC..Hα-helixtrans-70-51.7177.700000111.2G129 I135 A232 C233 L262 R313 F315 F319G129-A236 VanDerWaalsContact CA-O 3.29Å; G129-A236 WeakPolarHBondContact CA-O 3.43Å; I135-A236 HydrophobicContact CD1-CB 3.98Å; A232-A236 WeakPolarHBondContact O-CB 3.16Å; A232-A236 PolarHBondContact O-N 3.23Å; C233-A236 PolarHBondContact O-N 2.89Å; A236-L262 HydrophobicContact CB-CD2 3.46Å; A236-L262 VanDerWaalsContact CB-CD2 3.46Å; A236-R313 PolarHBondContact O-NH1 3.04Å; A236-R313 PolarHBondContact O-NH2 3.07Å; A236-F315 HydrophobicContact CB-CE1 4.39Å; A236-F315 HydrophobicContact CB-CE2 4.04Å; A236-F315 HydrophobicContact CB-CZ 3.66Å; A236-F319 HydrophobicContact CB-CE1 4.05Å; A236-F319 HydrophobicContact CB-CZ 4.2Å
237N95.9Very high95.5Very high5 Ų527.3 Ų27.33%0.02715%0.151CC..Hα-helixtrans-88.4-8.7-167.9-55.6-18.1000113.3C233 H239 C261 L263C233-N237 WeakPolarHBondContact O-CB 3.35Å; C233-N237 PolarHBondContact O-N 3.19Å; C233-N237 PolarHBondContact O-ND2 2.8Å; N237-H239 PolarHBondContact O-N 3.31Å; N237-H239 PolarHBondContact O-ND1 2.61Å; N237-C261 PolarHBondContact ND2-O 2.87Å; N237-C261 VanDerWaalsContact ND2-O 3.1Å; N237-L263 HydrophobicContact CB-CB 4.46Å; N237-L263 HydrophobicContact CB-CD1 4.19Å; N237-L263 HydrophobicContact CB-CG 4.41Å; N237-L263 WeakPolarHBondContact OD1-CB 3.44Å; N237-L263 PolarHBondContact OD1-N 3.44Å
238G95.3Very high95.2Very high8 Ų832.6 Ų32.68%0.08218%0.184CC..SBendtrans76.3-4.1-174.200000114.2I122 S127 E234I122-G238 WeakPolarHBondContact CG2-O 3.22Å; S127-G238 WeakPolarHBondContact O-CA 3.49Å; E234-G238 WeakPolarHBondContact O-CA 3.41Å; E234-G238 PolarHBondContact O-N 3.48Å
239H94.6Very high95Very high60 Ų6036.8 Ų36.828%0.27820%0.203SC..SBendtrans-146.7147.3177.262.7-79.5000110.7E234 N237 K243 Y311E234-H239 WeakPolarHBondContact CA-O 3.21Å; N237-H239 PolarHBondContact O-N 3.31Å; N237-H239 PolarHBondContact O-ND1 2.61Å; H239-K243 HydrophobicContact CB-CD 4.48Å; H239-Y311 PolarHBondContact CE1-OH 2.74Å
240V96Very high94.9Very high7 Ų737.1 Ų37.14%0.04221%0.205CC..  trans-68.8139.9176.9660000110P205 W206 I230 E234 K243P205-V240 HydrophobicContact CB-CG2 3.88Å; W206-V240 HydrophobicContact CD2-CG2 3.94Å; W206-V240 VanDerWaalsContact CE2-CG2 3.43Å; W206-V240 HydrophobicContact CE3-CG2 4.37Å; W206-V240 HydrophobicContact CH2-CB 4.07Å; W206-V240 HydrophobicContact CH2-CG1 3.95Å; W206-V240 HydrophobicContact CH2-CG2 3.96Å; W206-V240 HydrophobicContact CZ2-CB 3.66Å; W206-V240 HydrophobicContact CZ2-CG1 4.07Å; W206-V240 HydrophobicContact CZ2-CG2 3.48Å; W206-V240 VanDerWaalsContact CZ2-CG2 3.48Å; W206-V240 HydrophobicContact CZ3-CG2 4.38Å; I230-V240 HydrophobicContact CG2-CG2 3.79Å; E234-V240 HydrophobicContact CB-CB 4.41Å; E234-V240 HydrophobicContact CG-CB 4.25Å; V240-K243 HydrophobicContact CG1-CB 3.71Å; V240-K243 HydrophobicContact CG1-CG 4.03Å; V240-K243 WeakPolarHBondContact O-CB 3.36Å; V240-K243 PolarHBondContact O-N 2.63Å
241P94.9Very high94.5Very high15 Ų1539.7 Ų39.710%0.09722%0.218CC..THydrogen-bonded Turntrans-49.2142.2165-28.535000112.1I230 C233 K243 P260I230-P241 HydrophobicContact CD1-CG 4.38Å; I230-P241 HydrophobicContact CG2-CG 4.23Å; C233-P241 HydrophobicContact CB-CG 3.75Å; P241-K243 PolarHBondContact O-N 2.92Å; P241-P260 HydrophobicContact CB-CB 3.75Å; P241-P260 HydrophobicContact CB-CG 3.76Å; P241-P260 HydrophobicContact CG-CB 3.62Å; P241-P260 HydrophobicContact CG-CG 4.1Å
242F92.8Very high94.2Very high31 Ų3144.1 Ų44.114%0.13624%0.241CC..THydrogen-bonded Turntrans64.413.9177.1-40.7-73.5000116.4D244 M245 M250 E253 K254 T258 P260F242-D244 PolarHBondContact O-N 3.27Å; F242-D244 VanDerWaalsContact O-N 3.08Å; F242-M245 HydrophobicContact CB-CB 4.14Å; F242-M245 HydrophobicContact CD1-CE 4.02Å; F242-M245 HydrophobicContact CD1-SD 3.8Å; F242-M245 WeakPolarHBondContact O-CB 3.45Å; F242-M245 PolarHBondContact O-N 3.13Å; F242-M250 HydrophobicContact CB-CB 4.21Å; F242-M250 HydrophobicContact CB-CG 3.69Å; F242-M250 HydrophobicContact CB-SD 4Å; F242-M250 HydrophobicContact CD1-CG 4.36Å; F242-M250 HydrophobicContact CD2-CG 4.08Å; F242-M250 HydrophobicContact CG-CG 3.81Å; F242-E253 HydrophobicContact CE1-CB 4Å; F242-K254 HydrophobicContact CE2-CG 4.27Å; F242-K254 HydrophobicContact CZ-CG 4.4Å; F242-T258 HydrophobicContact CE1-CG2 4.46Å; F242-P260 HydrophobicContact CE2-CG 3.46Å; F242-P260 VanDerWaalsContact CE2-CG 3.46Å; F242-P260 HydrophobicContact CZ-CG 3.61Å
243K85.4Confident94Very high112 Ų11246.6 Ų46.649%0.48725%0.253SS..THydrogen-bonded Turntrans-47.2-41.5-175.3-173.4-176.1171.5-161.40114.9H239 V240 P241H239-K243 HydrophobicContact CB-CD 4.48Å; V240-K243 HydrophobicContact CG1-CB 3.71Å; V240-K243 HydrophobicContact CG1-CG 4.03Å; V240-K243 WeakPolarHBondContact O-CB 3.36Å; V240-K243 PolarHBondContact O-N 2.63Å; P241-K243 PolarHBondContact O-N 2.92Å
244D87.3Confident93.8Very high146 Ų14646.8 Ų46.878%0.78125%0.254SS*.THydrogen-bonded Turntrans-107.311.4-174.5-53.2-51.6000112.7F242F242-D244 PolarHBondContact O-N 3.27Å; F242-D244 VanDerWaalsContact O-N 3.08Å
245M92.8Very high93.4Very high53 Ų5350 Ų5026%0.26127%0.27SS..SBendtrans-90.4131.8-179.8-171.5174.9-75.400110.3F242 A247 Q249 M250 E253F242-M245 HydrophobicContact CB-CB 4.14Å; F242-M245 HydrophobicContact CD1-CE 4.02Å; F242-M245 HydrophobicContact CD1-SD 3.8Å; F242-M245 WeakPolarHBondContact O-CB 3.45Å; F242-M245 PolarHBondContact O-N 3.13Å; M245-A247 PolarHBondContact O-N 3.33Å; M245-Q249 HydrophobicContact CE-CG 4.43Å; M245-Q249 HydrophobicContact CG-CB 3.75Å; M245-Q249 HydrophobicContact CG-CG 3.75Å; M245-Q249 HydrophobicContact SD-CB 4.18Å; M245-Q249 HydrophobicContact SD-CG 3.76Å; M245-M250 HydrophobicContact CB-CB 4.37Å; M245-M250 HydrophobicContact CG-CB 4.09Å; M245-M250 WeakPolarHBondContact SD-CA 3.45Å; M245-M250 HydrophobicContact SD-CB 3.9Å; M245-M250 PolarHBondContact SD-N 3.45Å; M245-M250 VanDerWaalsContact SD-N 3.38Å; M245-E253 HydrophobicContact CE-CG 3.92Å; M245-E253 HydrophobicContact SD-CB 4.4Å; M245-E253 HydrophobicContact SD-CG 3.64Å
246P94.4Very high93.1Very high75 Ų7555.1 Ų55.149%0.48730%0.298SS..  trans-53.5142172.4-2634.4000111.8T248 Q249 M250P246-T248 PolarHBondContact O-N 2.99Å; P246-T248 VanDerWaalsContact O-N 3.12Å; P246-Q249 HydrophobicContact CB-CB 4.42Å; P246-Q249 WeakPolarHBondContact O-CB 3.44Å; P246-Q249 PolarHBondContact O-N 2.99Å; P246-M250 PolarHBondContact O-N 3.31Å
247A91.5Very high92.5Very high56 Ų5656.5 Ų56.546%0.46331%0.312SS..Hα-helixtrans-55.3-37.9-172.300000113.7L204 M245 L251L204-A247 HydrophobicContact CD1-CB 4.17Å; M245-A247 PolarHBondContact O-N 3.33Å; A247-L251 WeakPolarHBondContact O-CB 3.44Å; A247-L251 PolarHBondContact O-N 3.26Å
248T91.9Very high92.2Very high114 Ų11459.2 Ų59.270%0.69933%0.329SS*.Hα-helixtrans-69.1-37.4177.549.60000112.7P246 L252P246-T248 PolarHBondContact O-N 2.99Å; P246-T248 VanDerWaalsContact O-N 3.12Å; T248-L252 PolarHBondContact O-N 3.4Å; T248-L252 VanDerWaalsContact O-N 3.09Å
249Q94.8Very high91.8Very high88 Ų8862.7 Ų62.741%0.41135%0.348SS..Hα-helixtrans-70.1-44.8175.5-174.9-177.3-7.900110.6M245 P246 L251 L252 E253M245-Q249 HydrophobicContact CE-CG 4.43Å; M245-Q249 HydrophobicContact CG-CB 3.75Å; M245-Q249 HydrophobicContact CG-CG 3.75Å; M245-Q249 HydrophobicContact SD-CB 4.18Å; M245-Q249 HydrophobicContact SD-CG 3.76Å; P246-Q249 HydrophobicContact CB-CB 4.42Å; P246-Q249 WeakPolarHBondContact O-CB 3.44Å; P246-Q249 PolarHBondContact O-N 2.99Å; Q249-L251 VanDerWaalsContact C-N 3.28Å; Q249-L251 PolarHBondContact O-N 3.09Å; Q249-L252 WeakPolarHBondContact O-CB 3.43Å; Q249-L252 PolarHBondContact O-N 3.33Å; Q249-E253 WeakPolarHBondContact O-CG 3.39Å; Q249-E253 PolarHBondContact O-N 2.95Å
250M95.3Very high91.6Very high7 Ų760.6 Ų60.63%0.03434%0.34CS..Hα-helixtrans-58.6-41.2175.1172.1-166.47400111.9L204 P205 F242 M245 P246 L252 E253 K254L204-M250 HydrophobicContact CB-CE 3.61Å; P205-M250 VanDerWaalsContact CA-SD 3.52Å; P205-M250 HydrophobicContact CB-SD 4.06Å; P205-M250 HydrophobicContact CG-SD 3.99Å; F242-M250 HydrophobicContact CB-CB 4.21Å; F242-M250 HydrophobicContact CB-CG 3.69Å; F242-M250 HydrophobicContact CB-SD 4Å; F242-M250 HydrophobicContact CD1-CG 4.36Å; F242-M250 HydrophobicContact CD2-CG 4.08Å; F242-M250 HydrophobicContact CG-CG 3.81Å; M245-M250 HydrophobicContact CB-CB 4.37Å; M245-M250 HydrophobicContact CG-CB 4.09Å; M245-M250 WeakPolarHBondContact SD-CA 3.45Å; M245-M250 HydrophobicContact SD-CB 3.9Å; M245-M250 PolarHBondContact SD-N 3.45Å; M245-M250 VanDerWaalsContact SD-N 3.38Å; P246-M250 PolarHBondContact O-N 3.31Å; M250-L252 VanDerWaalsContact C-N 3.35Å; M250-E253 PolarHBondContact O-N 3.07Å; M250-K254 HydrophobicContact CG-CD 4.21Å; M250-K254 WeakPolarHBondContact O-CB 3.38Å; M250-K254 WeakPolarHBondContact O-CG 3.47Å; M250-K254 PolarHBondContact O-N 2.91Å
251L92.1Very high91.4Very high54 Ų5462.9 Ų62.928%0.28336%0.356SS..Hα-helixtrans-58.2-49.1172.9175.257.7000110.9L212 A247 Q249 E253 K254 L255L212-L251 HydrophobicContact CB-CD1 3.6Å; L212-L251 HydrophobicContact CD1-CD1 4.25Å; A247-L251 WeakPolarHBondContact O-CB 3.44Å; A247-L251 PolarHBondContact O-N 3.26Å; Q249-L251 VanDerWaalsContact C-N 3.28Å; Q249-L251 PolarHBondContact O-N 3.09Å; L251-E253 PolarHBondContact O-N 3.2Å; L251-K254 PolarHBondContact O-N 3.36Å; L251-L255 HydrophobicContact CD1-CD1 3.8Å; L251-L255 HydrophobicContact CD1-CD2 4.49Å; L251-L255 HydrophobicContact CD1-CG 3.95Å; L251-L255 HydrophobicContact CG-CD1 3.94Å; L251-L255 HydrophobicContact CG-CG 4.44Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.46Å; L251-L255 PolarHBondContact O-N 2.83Å
252L92.2Very high91.4Very high93 Ų9362.1 Ų62.149%0.48735%0.351SS..Hα-helixtrans-60.3-44.5179.6-176.362.4000112T248 Q249 M250 K254 L255 N256T248-L252 PolarHBondContact O-N 3.4Å; T248-L252 VanDerWaalsContact O-N 3.09Å; Q249-L252 WeakPolarHBondContact O-CB 3.43Å; Q249-L252 PolarHBondContact O-N 3.33Å; M250-L252 VanDerWaalsContact C-N 3.35Å; L252-K254 PolarHBondContact O-N 3.16Å; L252-L255 PolarHBondContact O-N 2.77Å; L252-N256 VanDerWaalsContact O-CB 3.28Å; L252-N256 WeakPolarHBondContact O-CB 3.34Å; L252-N256 PolarHBondContact O-N 2.82Å; L252-N256 PolarHBondContact O-ND2 2.75Å
253E94.4Very high91.2Very high51 Ų5162.4 Ų62.424%0.23835%0.354CS..Hα-helixtrans-58.2-47.2175.6-69.7-59.2152.400111.9F242 M245 Q249 M250 L251 L255 N256 G257 T258F242-E253 HydrophobicContact CE1-CB 4Å; M245-E253 HydrophobicContact CE-CG 3.92Å; M245-E253 HydrophobicContact SD-CB 4.4Å; M245-E253 HydrophobicContact SD-CG 3.64Å; Q249-E253 WeakPolarHBondContact O-CG 3.39Å; Q249-E253 PolarHBondContact O-N 2.95Å; M250-E253 PolarHBondContact O-N 3.07Å; L251-E253 PolarHBondContact O-N 3.2Å; E253-L255 VanDerWaalsContact C-N 3.33Å; E253-L255 PolarHBondContact O-N 3.21Å; E253-N256 PolarHBondContact O-N 3.21Å; E253-G257 PolarHBondContact O-N 2.84Å; E253-G257 VanDerWaalsContact O-N 3.15Å; E253-T258 WeakPolarHBondContact O-CB 3.45Å; E253-T258 PolarHBondContact O-N 3.3Å; E253-T258 PolarHBondContact O-OG1 3.23Å; E253-T258 WeakPolarHBondContact OE2-CB 3.26Å; E253-T258 PolarHBondContact OE2-OG1 2.9Å
254K94Very high91.3Very high4 Ų457.1 Ų57.12%0.01733%0.331CS..Hα-helixtrans-61.8-39.1177.8-77.8174.6-179.2-91.60112.4P205 L207 P209 L212 Y226 F242 M250 L251 L252P205-K254 WeakPolarHBondContact O-CE 3.15Å; P205-K254 PolarHBondContact O-NZ 2.98Å; L207-K254 PolarHBondContact O-NZ 3.29Å; P209-K254 HydrophobicContact CB-CB 4.46Å; P209-K254 HydrophobicContact CG-CB 4.18Å; L212-K254 HydrophobicContact CD1-CD 3.54Å; Y226-K254 PolarHBondContact OH-NZ 3.05Å; F242-K254 HydrophobicContact CE2-CG 4.27Å; F242-K254 HydrophobicContact CZ-CG 4.4Å; M250-K254 HydrophobicContact CG-CD 4.21Å; M250-K254 WeakPolarHBondContact O-CB 3.38Å; M250-K254 WeakPolarHBondContact O-CG 3.47Å; M250-K254 PolarHBondContact O-N 2.91Å; L251-K254 PolarHBondContact O-N 3.36Å; L252-K254 PolarHBondContact O-N 3.16Å
255L89.6Confident91.2Very high70 Ų7052.8 Ų52.837%0.36631%0.31SS..Hα-helixtrans-74.6-36.1178.5-66.7177.3000112.5P209 Q213 L251 L252 E253 G257P209-L255 HydrophobicContact CB-CD2 4.35Å; Q213-L255 HydrophobicContact CB-CD2 4.22Å; L251-L255 HydrophobicContact CD1-CD1 3.8Å; L251-L255 HydrophobicContact CD1-CD2 4.49Å; L251-L255 HydrophobicContact CD1-CG 3.95Å; L251-L255 HydrophobicContact CG-CD1 3.94Å; L251-L255 HydrophobicContact CG-CG 4.44Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.46Å; L251-L255 PolarHBondContact O-N 2.83Å; L252-L255 PolarHBondContact O-N 2.77Å; E253-L255 VanDerWaalsContact C-N 3.33Å; E253-L255 PolarHBondContact O-N 3.21Å; L255-G257 PolarHBondContact O-N 3.21Å
256N91.7Very high90.7Very high109 Ų10954.5 Ų54.558%0.58332%0.323SS*.Hα-helixtrans-71.7-11.5176.7-72.4-14.1000113L252 E253L252-N256 VanDerWaalsContact O-CB 3.28Å; L252-N256 WeakPolarHBondContact O-CB 3.34Å; L252-N256 PolarHBondContact O-N 2.82Å; L252-N256 PolarHBondContact O-ND2 2.75Å; E253-N256 PolarHBondContact O-N 3.21Å
257G85.8Confident90.1Very high29 Ų2953.3 Ų53.330%0.29932%0.315SS..THydrogen-bonded Turntrans92.721.117500000113.9E253 L255 V259E253-G257 PolarHBondContact O-N 2.84Å; E253-G257 VanDerWaalsContact O-N 3.15Å; L255-G257 PolarHBondContact O-N 3.21Å; G257-V259 WeakPolarHBondContact O-CG2 3.4Å; G257-V259 PolarHBondContact O-N 3.02Å
258T88.7Confident89.5Confident61 Ų6151.4 Ų51.437%0.37430%0.296SS..  trans-64.7115168.5-590000108.6F242 E253F242-T258 HydrophobicContact CE1-CG2 4.46Å; E253-T258 WeakPolarHBondContact O-CB 3.45Å; E253-T258 PolarHBondContact O-N 3.3Å; E253-T258 PolarHBondContact O-OG1 3.23Å; E253-T258 WeakPolarHBondContact OE2-CB 3.26Å; E253-T258 PolarHBondContact OE2-OG1 2.9Å
259V87Confident88.8Confident81 Ų8148.5 Ų48.549%0.49128%0.28SS..  trans-101.7116.8-178.4-176.90000109G257 L327G257-V259 WeakPolarHBondContact O-CG2 3.4Å; G257-V259 PolarHBondContact O-N 3.02Å; V259-L327 HydrophobicContact CG1-CB 3.77Å; V259-L327 HydrophobicContact CG1-CD1 4.18Å
260P91.3Very high87.7Confident17 Ų1749 Ų4911%0.1129%0.29CS..  trans-58.5148.2171.5-26.136.6000112.1I230 P241 F242 L327I230-P260 HydrophobicContact CD1-CB 4.3Å; I230-P260 HydrophobicContact CD1-CG 3.74Å; P241-P260 HydrophobicContact CB-CB 3.75Å; P241-P260 HydrophobicContact CB-CG 3.76Å; P241-P260 HydrophobicContact CG-CB 3.62Å; P241-P260 HydrophobicContact CG-CG 4.1Å; F242-P260 HydrophobicContact CE2-CG 3.46Å; F242-P260 VanDerWaalsContact CE2-CG 3.46Å; F242-P260 HydrophobicContact CZ-CG 3.61Å; P260-L327 HydrophobicContact CB-CD1 4.2Å; P260-L327 WeakPolarHBondContact O-CD1 3.31Å
261C91.9Very high86.7Confident54 Ų5454.8 Ų54.837%0.36532%0.318SS..  trans-128.7166.9179.160.40000112.1N237 T267N237-C261 PolarHBondContact ND2-O 2.87Å; N237-C261 VanDerWaalsContact ND2-O 3.1Å; C261-T267 HydrophobicContact CB-CG2 4.3Å
262L93.9Very high85.7Confident0 Ų057.3 Ų57.30%033%0.328CS..  trans-71124.4166.8-61177.5000108.3A236 D264 T267 F315 F319 V323A236-L262 HydrophobicContact CB-CD2 3.46Å; A236-L262 VanDerWaalsContact CB-CD2 3.46Å; L262-D264 PolarHBondContact O-N 3.35Å; L262-T267 WeakPolarHBondContact O-CB 3.38Å; L262-T267 VanDerWaalsContact O-CG2 3.31Å; L262-T267 WeakPolarHBondContact O-CG2 3.4Å; L262-T267 PolarHBondContact O-OG1 2.81Å; L262-F315 HydrophobicContact CB-CD2 3.85Å; L262-F315 HydrophobicContact CB-CE2 4.17Å; L262-F315 HydrophobicContact CD1-CB 4.2Å; L262-F315 HydrophobicContact CD1-CD2 4.2Å; L262-F315 HydrophobicContact CD1-CG 4.27Å; L262-F319 HydrophobicContact CD1-CB 4.19Å; L262-F319 HydrophobicContact CD1-CD1 3.38Å; L262-F319 HydrophobicContact CD1-CD2 4.1Å; L262-F319 HydrophobicContact CD1-CE1 3.59Å; L262-F319 HydrophobicContact CD1-CE2 4.29Å; L262-F319 HydrophobicContact CD1-CG 3.63Å; L262-F319 HydrophobicContact CD1-CZ 4.04Å; L262-F319 HydrophobicContact CD2-CD1 4.36Å; L262-F319 HydrophobicContact CD2-CE1 3.68Å; L262-F319 HydrophobicContact CD2-CE2 4.32Å; L262-F319 HydrophobicContact CD2-CZ 3.64Å; L262-F319 HydrophobicContact CG-CE1 4.29Å; L262-F319 HydrophobicContact CG-CZ 4.5Å; L262-V323 HydrophobicContact CD1-CG2 4.05Å; L262-V323 HydrophobicContact CD2-CG2 3.88Å; L262-V323 HydrophobicContact CG-CB 4.45Å; L262-V323 HydrophobicContact CG-CG2 3.97Å
263L89.8Confident84.4Confident37 Ų3754.1 Ų54.119%0.19431%0.311CS..  trans-85.1108.4-178.5-66.4-177.6000110.2N237 I268 Y311N237-L263 HydrophobicContact CB-CB 4.46Å; N237-L263 HydrophobicContact CB-CD1 4.19Å; N237-L263 HydrophobicContact CB-CG 4.41Å; N237-L263 WeakPolarHBondContact OD1-CB 3.44Å; N237-L263 PolarHBondContact OD1-N 3.44Å; L263-I268 HydrophobicContact CB-CD1 4Å; L263-I268 HydrophobicContact CD2-CD1 4.22Å; L263-I268 HydrophobicContact CD2-CG1 4.22Å; L263-Y311 HydrophobicContact CB-CD1 3.9Å; L263-Y311 HydrophobicContact CB-CD2 4.27Å; L263-Y311 HydrophobicContact CB-CE1 4.13Å; L263-Y311 HydrophobicContact CB-CG 4Å; L263-Y311 HydrophobicContact CD1-CE1 4.24Å; L263-Y311 HydrophobicContact CD1-CE2 4.03Å
264D87.3Confident82.8Confident0 Ų056 Ų560%033%0.33CS..SBendtrans-155.1-178.1-178.878.8-5.9000111.5L262 T266 T267 I268 R313 F315 H320L262-D264 PolarHBondContact O-N 3.35Å; D264-T266 PolarHBondContact O-N 3.19Å; D264-T266 VanDerWaalsContact O-N 3.09Å; D264-T266 WeakPolarHBondContact OD1-CA 3.31Å; D264-T266 WeakPolarHBondContact OD1-CB 3.39Å; D264-T266 PolarHBondContact OD1-N 3.01Å; D264-T266 PolarHBondContact OD1-OG1 3.12Å; D264-T266 PolarHBondContact OD2-OG1 3.04Å; D264-T267 PolarHBondContact N-OG1 3.21Å; D264-T267 PolarHBondContact O-N 3.43Å; D264-T267 PolarHBondContact O-OG1 3.47Å; D264-T267 VanDerWaalsContact O-OG1 3.09Å; D264-T267 PolarHBondContact OD1-N 2.88Å; D264-T267 PolarHBondContact OD1-OG1 3.29Å; D264-I268 PolarHBondContact O-N 2.62Å; D264-R313 WeakPolarHBondContact CB-O 3.49Å; D264-F315 HydrophobicContact CB-CD2 3.76Å; D264-F315 HydrophobicContact CB-CE2 4.19Å; D264-F315 PolarHBondContact OD2-N 2.98Å; D264-H320 IonicContact OD1-CE1 3.58Å; D264-H320 IonicContact OD1-NE2 3.71Å; D264-H320 IonicContact OD2-CE1 3.5Å; D264-H320 IonicContact OD2-NE2 2.97Å; D264-H320 PolarHBondContact OD2-NE2 3.41Å
265T84.6Confident81.2Confident55 Ų5561.3 Ų61.334%0.33736%0.358SS..THydrogen-bonded Turntrans-61.8-13.4178.746.80000115.6L273 Y311 R313 T314T265-L273 HydrophobicContact CG2-CD1 4.01Å; T265-Y311 PolarHBondContact N-O 2.97Å; T265-R313 WeakPolarHBondContact CG2-O 3.48Å; T265-R313 PolarHBondContact N-O 2.85Å; T265-R313 PolarHBondContact OG1-O 3.32Å; T265-T314 PolarHBondContact OG1-OG1 3.44Å
266T82.8Confident79.3Confident89 Ų8966.8 Ų66.855%0.54638%0.379SS..THydrogen-bonded Turntrans-95.2-17.1-179.967.80000113.1D264 T314 H320D264-T266 PolarHBondContact O-N 3.19Å; D264-T266 VanDerWaalsContact O-N 3.09Å; D264-T266 WeakPolarHBondContact OD1-CA 3.31Å; D264-T266 WeakPolarHBondContact OD1-CB 3.39Å; D264-T266 PolarHBondContact OD1-N 3.01Å; D264-T266 PolarHBondContact OD1-OG1 3.12Å; D264-T266 PolarHBondContact OD2-OG1 3.04Å; T266-T314 HydrophobicContact CG2-CG2 3.92Å; T266-H320 PolarHBondContact OG1-NE2 3.45Å
267T82.1Confident77.1Confident50 Ų5066.3 Ų66.331%0.30738%0.382SS..THydrogen-bonded Turntrans-112.7-25.8-175.448.40000112.6C261 L262 D264C261-T267 HydrophobicContact CB-CG2 4.3Å; L262-T267 WeakPolarHBondContact O-CB 3.38Å; L262-T267 VanDerWaalsContact O-CG2 3.31Å; L262-T267 WeakPolarHBondContact O-CG2 3.4Å; L262-T267 PolarHBondContact O-OG1 2.81Å; D264-T267 PolarHBondContact N-OG1 3.21Å; D264-T267 PolarHBondContact O-N 3.43Å; D264-T267 PolarHBondContact O-OG1 3.47Å; D264-T267 VanDerWaalsContact O-OG1 3.09Å; D264-T267 PolarHBondContact OD1-N 2.88Å; D264-T267 PolarHBondContact OD1-OG1 3.29Å
268I78.7Confident74.9Confident16 Ų1670.4 Ų70.48%0.08241%0.406CS..SBendtrans-99127.1177.9-57.6173.5000109.4L263 D264 E272 L273 Y311L263-I268 HydrophobicContact CB-CD1 4Å; L263-I268 HydrophobicContact CD2-CD1 4.22Å; L263-I268 HydrophobicContact CD2-CG1 4.22Å; D264-I268 PolarHBondContact O-N 2.62Å; I268-E272 HydrophobicContact CG2-CB 3.67Å; I268-L273 HydrophobicContact CB-CD2 3.98Å; I268-L273 HydrophobicContact CB-CG 4.13Å; I268-L273 HydrophobicContact CD1-CD2 4.17Å; I268-L273 HydrophobicContact CG2-CD2 3.77Å; I268-L273 HydrophobicContact CG2-CG 3.74Å; I268-Y311 HydrophobicContact CD1-CD2 3.36Å; I268-Y311 HydrophobicContact CD1-CE2 4.33Å; I268-Y311 HydrophobicContact CD1-CG 3.73Å
269P77.4Confident72.8Confident54 Ų5479.1 Ų79.135%0.35143%0.432SS..  trans-56.7143174.9-2332.6000112.4E271 E272 L273P269-E271 VanDerWaalsContact CB-OE2 3.26Å; P269-E271 WeakPolarHBondContact CB-OE2 3.45Å; P269-E271 PolarHBondContact O-N 2.9Å; P269-E271 VanDerWaalsContact O-N 3.09Å; P269-E272 PolarHBondContact O-N 2.83Å; P269-L273 PolarHBondContact O-N 2.98Å
270P71.3Confident70.4Confident97 Ų9780.9 Ų80.963%0.6345%0.448SS*.Hα-helixtrans-54.3-31.2178.3-26.234.7000114E272 L273 S274P270-E272 VanDerWaalsContact C-N 3.33Å; P270-E272 PolarHBondContact O-N 3.24Å; P270-L273 PolarHBondContact O-N 3.12Å; P270-S274 PolarHBondContact O-N 3.15Å
271E74.1Confident67.8Low130 Ų13084.1 Ų84.161%0.60748%0.476SS*.Hα-helixtrans-62.7-40.9177.6-60.175.9-163.800111.1P269 S274P269-E271 VanDerWaalsContact CB-OE2 3.26Å; P269-E271 WeakPolarHBondContact CB-OE2 3.45Å; P269-E271 PolarHBondContact O-N 2.9Å; P269-E271 VanDerWaalsContact O-N 3.09Å; E271-S274 PolarHBondContact O-N 3.3Å; E271-S274 PolarHBondContact O-OG 2.84Å
272E71.2Confident65.5Low107 Ų10786.2 Ų86.250%0.550%0.497SS..Hα-helixtrans-75.1-32.9179.6-68.6-178.4-168.900112.4I268 P269 P270 S274 L275I268-E272 HydrophobicContact CG2-CB 3.67Å; P269-E272 PolarHBondContact O-N 2.83Å; P270-E272 VanDerWaalsContact C-N 3.33Å; P270-E272 PolarHBondContact O-N 3.24Å; E272-S274 PolarHBondContact O-N 3.43Å; E272-L275 PolarHBondContact O-N 3.32Å
273L64.8Low62.6Low26 Ų2694 Ų9414%0.13654%0.538CS..Hα-helixtrans-67.9-22.1174-65.4171.1000113.1T265 I268 P269 P270 H309T265-L273 HydrophobicContact CG2-CD1 4.01Å; I268-L273 HydrophobicContact CB-CD2 3.98Å; I268-L273 HydrophobicContact CB-CG 4.13Å; I268-L273 HydrophobicContact CD1-CD2 4.17Å; I268-L273 HydrophobicContact CG2-CD2 3.77Å; I268-L273 HydrophobicContact CG2-CG 3.74Å; P269-L273 PolarHBondContact O-N 2.98Å; P270-L273 PolarHBondContact O-N 3.12Å; L273-H309 HydrophobicContact CD2-CB 4.33Å; L273-H309 VanDerWaalsContact O-CB 3.31Å; L273-H309 WeakPolarHBondContact O-CB 3.44Å
274S61.4Low60.3Low90 Ų9097.9 Ų97.963%0.62957%0.569SS**THydrogen-bonded Turntrans-87.6-14.6-18076.40000113.8P270 E271 E272 K276P270-S274 PolarHBondContact O-N 3.15Å; E271-S274 PolarHBondContact O-N 3.3Å; E271-S274 PolarHBondContact O-OG 2.84Å; E272-S274 PolarHBondContact O-N 3.43Å; S274-K276 PolarHBondContact O-N 3.16Å
275L59.4Low57.7Low115 Ų115101.3 Ų101.360%0.60260%0.604SS**SBendtrans-74119.4178.5-70.4167.1000109.3E272E272-L275 PolarHBondContact O-N 3.32Å
276K50Low55.2Low186 Ų186106.6 Ų106.681%0.80963%0.628SS**  trans-60.2134172.8-71.3-178.5177.6178.10108.8S274 S278S274-K276 PolarHBondContact O-N 3.16Å; K276-S278 PolarHBondContact O-N 3.01Å
277P45.3Very low52.6Low99 Ų99107.5 Ų107.564%0.64364%0.637SS**  trans-59.2114.417418-24.4000108.2R279P277-R279 PolarHBondContact O-N 3.45Å
278S40.4Very low50.2Low115 Ų115114.3 Ų114.380%0.80467%0.666SS**  trans-65.9108176-68.60000107.2K276 S280K276-S278 PolarHBondContact O-N 3.01Å; S278-S280 VanDerWaalsContact C-N 3.27Å; S278-S280 PolarHBondContact O-N 3.35Å
279R43.1Very low47.7Very low244 Ų244117 Ų11792%0.92170%0.697SS**  trans-6588.9168.3-75.5-179.1158.9-174.7-5.9108.2P277 A281P277-R279 PolarHBondContact O-N 3.45Å; R279-A281 PolarHBondContact O-N 3.34Å; R279-A281 VanDerWaalsContact O-N 3.1Å
280S38.3Very low46.3Very low118 Ų118120.3 Ų120.383%0.82572%0.719SS**  trans-81.673.5161.573.20000108.5S278S278-S280 VanDerWaalsContact C-N 3.27Å; S278-S280 PolarHBondContact O-N 3.35Å
281A36.6Very low44.3Very low85 Ų85127.5 Ų127.570%0.70273%0.733SS**  trans-79.8122.8153.100000106R279 D283R279-A281 PolarHBondContact O-N 3.34Å; R279-A281 VanDerWaalsContact O-N 3.1Å; A281-D283 PolarHBondContact O-N 3.16Å
282A43.3Very low42.2Very low98 Ų98126.3 Ų126.381%0.8175%0.745SS**  trans-51.9128.9165.800000108.8
283D32.3Very low40.1Very low163 Ų163125.1 Ų125.187%0.87276%0.762SS**  trans-141.7124.9150.8-141.1-2000109.7A281A281-D283 PolarHBondContact O-N 3.16Å
284S41.4Very low38.3Very low118 Ų118127.6 Ų127.683%0.82579%0.794SS**  trans-90.4137.3176.7-61.90000108.4
285G32.2Very low37.2Very low72 Ų72129 Ų12974%0.74280%0.801SS**  trans126.191.6153.100000118
286I32.8Very low36Very low166 Ų166134.6 Ų134.685%0.85181%0.814SS**  27.6115.4117.4-59.7164.6000118.4
287C28.2Very low35Very low109 Ų109135.1 Ų135.174%0.73682%0.819SS**  158.7142.5105.8-116.60000115.3
288E31.1Very low34.3Very low193 Ų193135.2 Ų135.290%0.90282%0.822SS**  trans18.7138.1156.5-58.2-170.1148.700121.5
289G27.9Very low33.9Very low71 Ų71137.7 Ų137.773%0.73283%0.826SS**  cis160.7176.142.400000109.5
290P47.8Very low33.2Very low125 Ų125129.4 Ų129.481%0.81282%0.817SS**  trans-111.1147.2-152.437.6-28.6000116.9
291R29Very low32.7Very low247 Ų247132.9 Ų132.993%0.93282%0.82SS**  trans174.7129.6137.1-101.8171.2178.9-170.50.8116
292A30.2Very low32.6Very low105 Ų105134.8 Ų134.887%0.86883%0.825SS**  trans55.3127.5133.600000124.3
293G26.7Very low32.1Very low82 Ų82134.9 Ų134.985%0.84582%0.82SS**  trans127.7110.2142.400000116.9
294G26.1Very low32.3Very low78 Ų78133 Ų13380%0.80482%0.819SS**  trans-78.9-160.3172.300000113.9
295P39.9Very low32.2Very low119 Ų119132.4 Ų132.477%0.77382%0.815SS**  cis-132.1166.8-1.239.1-20.8000116.2
296R33.1Very low32.7Very low234 Ų234134.6 Ų134.688%0.88382%0.819SS**  trans22121.8152.2-67.4-179.7172.2179.4-2.8120.4
297H28.9Very low33.1Very low196 Ų196130.9 Ų130.991%0.90782%0.822SS**  trans-126.4126.1138.4-83.2-75.3000110.6
298S31.9Very low34.6Very low101 Ų101127.9 Ų127.971%0.70681%0.809SS**  trans-90.1151.5172.536.60000111
299N31.7Very low36.2Very low167 Ų167120.6 Ų120.689%0.89378%0.775SS**  trans77.295.5166.6-64.22.8000117.8
300G26.9Very low38.1Very low71 Ų71119.3 Ų119.373%0.73275%0.754SS**  trans-144.5108.1143.500000106.8
301E27.8Very low39.5Very low191 Ų191115.1 Ų115.189%0.89372%0.722SS**  trans-50.5131.9168.5-69.2177.4139.100108.9S303E301-S303 PolarHBondContact O-N 2.65Å
302P35.2Very low41.8Very low124 Ų124107.7 Ų107.781%0.80570%0.701SS**  trans-72.5106.1170.723.4-18.9000107.3S304P302-S304 PolarHBondContact O-N 3.35Å
303S32.7Very low44.4Very low101 Ų101105.7 Ų105.771%0.70667%0.671SS**  trans-38.2128.5159.548.40000110.1E301 S305E301-S303 PolarHBondContact O-N 2.65Å; S303-S305 VanDerWaalsContact C-N 3.27Å; S303-S305 PolarHBondContact O-N 3.04Å
304S37.3Very low47.5Very low123 Ų123106.2 Ų106.286%0.8666%0.657SS**  trans-61.972.6-177.854.70000113.7P302P302-S304 PolarHBondContact O-N 3.35Å
305S39.8Very low50.8Low105 Ų105103 Ų10373%0.73462%0.621SS**  trans-100.290156.5610000107.5S303 G307S303-S305 VanDerWaalsContact C-N 3.27Å; S303-S305 PolarHBondContact O-N 3.04Å; S305-G307 PolarHBondContact O-N 3.19Å
306S41.6Very low53.6Low119 Ų11998.5 Ų98.583%0.83259%0.593SS**  trans-53.995.1-176.98.60000112.1G308S306-G308 PolarHBondContact O-N 3.27Å
307G42.2Very low56.6Low87 Ų8792 Ų9290%0.89758%0.581SS**  trans-75.667.7165.400000111.1S305S305-G307 PolarHBondContact O-N 3.19Å
308G58Low59.9Low46 Ų4687 Ų8747%0.47456%0.558SS.*  trans-87.7160.517200000112.1S306S306-G308 PolarHBondContact O-N 3.27Å
309H66.2Low63.1Low41 Ų4182.2 Ų82.219%0.1953%0.525CS..  trans-59.5141.3172.4-160.7-88000110.1L273 Y311 N312L273-H309 HydrophobicContact CD2-CB 4.33Å; L273-H309 VanDerWaalsContact O-CB 3.31Å; L273-H309 WeakPolarHBondContact O-CB 3.44Å; H309-Y311 AromaticContact CE1-CD2 3.33Å; H309-Y311 WeakPolarHBondContact CE1-CD2 3.29Å; H309-Y311 AromaticContact CE1-CE2 3.78Å; H309-Y311 AromaticContact ND1-CD2 3.48Å; H309-Y311 WeakPolarHBondContact ND1-CD2 3.46Å; H309-Y311 PolarHBondContact O-N 2.99Å; H309-N312 PolarHBondContact N-ND2 3.44Å; H309-N312 WeakPolarHBondContact O-CB 3.3Å; H309-N312 PolarHBondContact O-N 2.76Å; H309-N312 VanDerWaalsContact O-N 3.1Å
310P66.7Low66.3Low43 Ų4376.1 Ų76.128%0.27949%0.491SS..THydrogen-bonded Turntrans-57.9-17.9-176.721.4-34.5000114.2D128D128-P310 HydrophobicContact CB-CB 4.17Å; D128-P310 WeakPolarHBondContact OD1-CB 3.45Å
311Y77.5Confident69.7Low37 Ų3775.9 Ų75.915%0.14547%0.473CS..THydrogen-bonded Turntrans-106.420.4-178.1-46.8-53.3000114.4H239 L263 T265 I268 H309 R313H239-Y311 PolarHBondContact CE1-OH 2.74Å; L263-Y311 HydrophobicContact CB-CD1 3.9Å; L263-Y311 HydrophobicContact CB-CD2 4.27Å; L263-Y311 HydrophobicContact CB-CE1 4.13Å; L263-Y311 HydrophobicContact CB-CG 4Å; L263-Y311 HydrophobicContact CD1-CE1 4.24Å; L263-Y311 HydrophobicContact CD1-CE2 4.03Å; T265-Y311 PolarHBondContact N-O 2.97Å; I268-Y311 HydrophobicContact CD1-CD2 3.36Å; I268-Y311 HydrophobicContact CD1-CE2 4.33Å; I268-Y311 HydrophobicContact CD1-CG 3.73Å; H309-Y311 AromaticContact CE1-CD2 3.33Å; H309-Y311 WeakPolarHBondContact CE1-CD2 3.29Å; H309-Y311 AromaticContact CE1-CE2 3.78Å; H309-Y311 AromaticContact ND1-CD2 3.48Å; H309-Y311 WeakPolarHBondContact ND1-CD2 3.46Å; H309-Y311 PolarHBondContact O-N 2.99Å; Y311-R313 PolarHBondContact O-N 3.19Å
312N77.3Confident73Confident91 Ų9166.8 Ų66.849%0.48743%0.43SS..  trans-67.48.8175.9-83.9-4.1000115H309H309-N312 PolarHBondContact N-ND2 3.44Å; H309-N312 WeakPolarHBondContact O-CB 3.3Å; H309-N312 PolarHBondContact O-N 2.76Å; H309-N312 VanDerWaalsContact O-N 3.1Å
313R84.7Confident76Confident64 Ų6461.1 Ų61.124%0.24239%0.393CS..  trans-89.6178.3174.866.5177.8177.4-139.8-26.3111.5D128 A236 D264 T265 Y311D128-R313 VanDerWaalsContact O-CZ 3.24Å; D128-R313 PolarHBondContact O-NH1 3.35Å; D128-R313 PolarHBondContact O-NH2 3.09Å; A236-R313 PolarHBondContact O-NH1 3.04Å; A236-R313 PolarHBondContact O-NH2 3.07Å; D264-R313 WeakPolarHBondContact CB-O 3.49Å; T265-R313 WeakPolarHBondContact CG2-O 3.48Å; T265-R313 PolarHBondContact N-O 2.85Å; T265-R313 PolarHBondContact OG1-O 3.32Å; Y311-R313 PolarHBondContact O-N 3.19Å
314T91.7Very high79.1Confident92 Ų9261.5 Ų61.556%0.56438%0.384SS*.  trans-137.1131.8175.7-49.20000108.7T265 T266T265-T314 PolarHBondContact OG1-OG1 3.44Å; T266-T314 HydrophobicContact CG2-CG2 3.92Å
315F96.1Very high82Confident10 Ų1059.9 Ų59.94%0.04436%0.359CS..  trans-94.2156.5171.9-67-67.6000111.5E132 A236 L262 D264 F319E132-F315 HydrophobicContact CB-CD1 4.16Å; E132-F315 HydrophobicContact CB-CE1 4.5Å; E132-F315 HydrophobicContact CG-CD1 4.45Å; A236-F315 HydrophobicContact CB-CE1 4.39Å; A236-F315 HydrophobicContact CB-CE2 4.04Å; A236-F315 HydrophobicContact CB-CZ 3.66Å; L262-F315 HydrophobicContact CB-CD2 3.85Å; L262-F315 HydrophobicContact CB-CE2 4.17Å; L262-F315 HydrophobicContact CD1-CB 4.2Å; L262-F315 HydrophobicContact CD1-CD2 4.2Å; L262-F315 HydrophobicContact CD1-CG 4.27Å; D264-F315 HydrophobicContact CB-CD2 3.76Å; D264-F315 HydrophobicContact CB-CE2 4.19Å; D264-F315 PolarHBondContact OD2-N 2.98Å; F315-F319 HydrophobicContact CB-CD1 3.92Å; F315-F319 AromaticContact CD1-CD1 3.57Å; F315-F319 HydrophobicContact CD1-CD1 3.57Å; F315-F319 AromaticContact CD1-CE1 3.79Å; F315-F319 HydrophobicContact CD1-CE1 3.79Å; F315-F319 HydrophobicContact CE1-CD1 4.18Å; F315-F319 AromaticContact CE1-CE1 3.92Å; F315-F319 HydrophobicContact CE1-CE1 3.92Å; F315-F319 AromaticContact CG-CD1 3.81Å; F315-F319 HydrophobicContact CG-CD1 3.81Å; F315-F319 HydrophobicContact CG-CE1 4.18Å; F315-F319 HydrophobicContact CZ-CE1 4.41Å
316S97.4Very high84.8Confident26 Ų2654.9 Ų54.918%0.18232%0.324CS..  trans-65.8149.5179.277.30000111.7E132 Q318 F319 H320E132-S316 VanDerWaalsContact OE1-CB 3.24Å; E132-S316 WeakPolarHBondContact OE1-CB 3.26Å; E132-S316 PolarHBondContact OE1-OG 2.77Å; E132-S316 WeakPolarHBondContact OE2-CB 3.29Å; E132-S316 PolarHBondContact OE2-N 3.34Å; E132-S316 PolarHBondContact OE2-OG 2.69Å; S316-Q318 PolarHBondContact O-N 3.34Å; S316-Q318 VanDerWaalsContact O-N 3.14Å; S316-Q318 PolarHBondContact OG-OE1 3Å; S316-F319 PolarHBondContact O-N 3.2Å; S316-F319 PolarHBondContact OG-N 3.09Å; S316-F319 VanDerWaalsContact OG-N 3.13Å; S316-H320 PolarHBondContact O-CD2 3.03Å; S316-H320 PolarHBondContact O-N 3.07Å; S316-H320 VanDerWaalsContact O-N 3.16Å
317P97.5Very high87.5Confident98 Ų9849.4 Ų49.464%0.63629%0.285SS*.Hα-helixtrans-56.7-29.8172.7-25.534.5000112.8N321P317-N321 WeakPolarHBondContact O-CB 3.39Å; P317-N321 PolarHBondContact O-N 3.43Å
318Q98.4Very high90.1Very high90 Ų9048.4 Ų48.442%0.42126%0.257SS..Hα-helixtrans-69.7-34.3177.3-63.477.315.700111.8S316 F322 H343 P344 F345S316-Q318 PolarHBondContact O-N 3.34Å; S316-Q318 VanDerWaalsContact O-N 3.14Å; S316-Q318 PolarHBondContact OG-OE1 3Å; Q318-F322 WeakPolarHBondContact O-CB 3.49Å; Q318-F322 PolarHBondContact O-N 3.27Å; Q318-H343 PolarHBondContact O-CE1 2.88Å; Q318-P344 HydrophobicContact CG-CB 4.16Å; Q318-F345 HydrophobicContact CB-CB 4.27Å
319F98.4Very high91.8Very high0 Ų053.7 Ų53.70%026%0.263CS..Hα-helixtrans-72-44.4176.3-170.4-155.9000111.5E132 I135 L139 A232 A236 L262 F315 S316 N321 F322 V323 F345E132-F319 HydrophobicContact CG-CB 4.31Å; E132-F319 HydrophobicContact CG-CD1 3.84Å; E132-F319 HydrophobicContact CG-CG 4.21Å; I135-F319 HydrophobicContact CB-CZ 4.5Å; I135-F319 HydrophobicContact CD1-CE1 4.11Å; I135-F319 HydrophobicContact CD1-CZ 4.18Å; I135-F319 HydrophobicContact CG2-CE1 4.48Å; I135-F319 HydrophobicContact CG2-CE2 4.08Å; I135-F319 HydrophobicContact CG2-CZ 3.7Å; L139-F319 HydrophobicContact CD1-CE2 4.13Å; A232-F319 HydrophobicContact CB-CE2 4.12Å; A232-F319 HydrophobicContact CB-CZ 4.38Å; A236-F319 HydrophobicContact CB-CE1 4.05Å; A236-F319 HydrophobicContact CB-CZ 4.2Å; L262-F319 HydrophobicContact CD1-CB 4.19Å; L262-F319 HydrophobicContact CD1-CD1 3.38Å; L262-F319 HydrophobicContact CD1-CD2 4.1Å; L262-F319 HydrophobicContact CD1-CE1 3.59Å; L262-F319 HydrophobicContact CD1-CE2 4.29Å; L262-F319 HydrophobicContact CD1-CG 3.63Å; L262-F319 HydrophobicContact CD1-CZ 4.04Å; L262-F319 HydrophobicContact CD2-CD1 4.36Å; L262-F319 HydrophobicContact CD2-CE1 3.68Å; L262-F319 HydrophobicContact CD2-CE2 4.32Å; L262-F319 HydrophobicContact CD2-CZ 3.64Å; L262-F319 HydrophobicContact CG-CE1 4.29Å; L262-F319 HydrophobicContact CG-CZ 4.5Å; F315-F319 HydrophobicContact CB-CD1 3.92Å; F315-F319 AromaticContact CD1-CD1 3.57Å; F315-F319 HydrophobicContact CD1-CD1 3.57Å; F315-F319 AromaticContact CD1-CE1 3.79Å; F315-F319 HydrophobicContact CD1-CE1 3.79Å; F315-F319 HydrophobicContact CE1-CD1 4.18Å; F315-F319 AromaticContact CE1-CE1 3.92Å; F315-F319 HydrophobicContact CE1-CE1 3.92Å; F315-F319 AromaticContact CG-CD1 3.81Å; F315-F319 HydrophobicContact CG-CD1 3.81Å; F315-F319 HydrophobicContact CG-CE1 4.18Å; F315-F319 HydrophobicContact CZ-CE1 4.41Å; S316-F319 PolarHBondContact O-N 3.2Å; S316-F319 PolarHBondContact OG-N 3.09Å; S316-F319 VanDerWaalsContact OG-N 3.13Å; F319-N321 VanDerWaalsContact C-N 3.34Å; F319-N321 PolarHBondContact O-N 2.95Å; F319-F322 HydrophobicContact CD2-CD1 4.46Å; F319-F322 WeakPolarHBondContact O-CB 3.25Å; F319-F322 PolarHBondContact O-N 3.46Å; F319-V323 HydrophobicContact CD2-CG2 4.11Å; F319-V323 HydrophobicContact CE2-CG2 3.81Å; F319-V323 HydrophobicContact CZ-CG2 4.44Å; F319-V323 WeakPolarHBondContact O-CG2 3.38Å; F319-V323 PolarHBondContact O-N 3.42Å; F319-F345 HydrophobicContact CB-CD2 3.61Å; F319-F345 HydrophobicContact CB-CE2 3.47Å; F319-F345 VanDerWaalsContact CB-CE2 3.47Å; F319-F345 HydrophobicContact CB-CZ 4.38Å; F319-F345 HydrophobicContact CD1-CE2 4.23Å; F319-F345 HydrophobicContact CD2-CD1 4.45Å; F319-F345 AromaticContact CD2-CD2 3.94Å; F319-F345 HydrophobicContact CD2-CD2 3.94Å; F319-F345 AromaticContact CD2-CE1 3.97Å; F319-F345 HydrophobicContact CD2-CE1 3.97Å; F319-F345 AromaticContact CD2-CE2 3.39Å; F319-F345 HydrophobicContact CD2-CE2 3.39Å; F319-F345 HydrophobicContact CD2-CG 4.44Å; F319-F345 AromaticContact CD2-CZ 3.41Å; F319-F345 HydrophobicContact CD2-CZ 3.41Å; F319-F345 VanDerWaalsContact CD2-CZ 3.41Å; F319-F345 HydrophobicContact CE2-CE1 4.27Å; F319-F345 HydrophobicContact CE2-CE2 4.22Å; F319-F345 AromaticContact CE2-CZ 3.8Å; F319-F345 HydrophobicContact CE2-CZ 3.8Å; F319-F345 HydrophobicContact CG-CD2 4.01Å; F319-F345 AromaticContact CG-CE2 3.43Å; F319-F345 HydrophobicContact CG-CE2 3.43Å; F319-F345 VanDerWaalsContact CG-CE2 3.43Å; F319-F345 AromaticContact CG-CZ 3.88Å; F319-F345 HydrophobicContact CG-CZ 3.88Å
320H98.1Very high93.2Very high40 Ų4055.1 Ų55.119%0.18527%0.272CS..Hα-helixtrans-55.2-48.9172-79.8-73.3000111.7D264 T266 S316 F322 V323 E324D264-H320 IonicContact OD1-CE1 3.58Å; D264-H320 IonicContact OD1-NE2 3.71Å; D264-H320 IonicContact OD2-CE1 3.5Å; D264-H320 IonicContact OD2-NE2 2.97Å; D264-H320 PolarHBondContact OD2-NE2 3.41Å; T266-H320 PolarHBondContact OG1-NE2 3.45Å; S316-H320 PolarHBondContact O-CD2 3.03Å; S316-H320 PolarHBondContact O-N 3.07Å; S316-H320 VanDerWaalsContact O-N 3.16Å; H320-F322 VanDerWaalsContact C-N 3.33Å; H320-F322 PolarHBondContact O-N 3.08Å; H320-V323 PolarHBondContact O-N 2.8Å; H320-E324 WeakPolarHBondContact O-CB 3.3Å; H320-E324 PolarHBondContact O-N 3.02Å
321N98.1Very high94.6Very high66 Ų6654.5 Ų54.535%0.35327%0.268SS..Hα-helixtrans-64.1-36.5178.1-175.2-111.3000113P317 F319 E324 R325 H343P317-N321 WeakPolarHBondContact O-CB 3.39Å; P317-N321 PolarHBondContact O-N 3.43Å; F319-N321 VanDerWaalsContact C-N 3.34Å; F319-N321 PolarHBondContact O-N 2.95Å; N321-E324 PolarHBondContact O-N 3.22Å; N321-R325 VanDerWaalsContact O-CG 3.3Å; N321-R325 WeakPolarHBondContact O-CG 3.35Å; N321-R325 PolarHBondContact O-N 3.1Å; N321-H343 PolarHBondContact OD1-NE2 3.13Å
322F98.7Very high95.6Very high0 Ų058.1 Ų58.10%029%0.286CS..Hα-helixtrans-59-48.4174.6174.2-90.3000111.3L139 L143 L228 Q318 F319 H320 R325 C326 L340 H343 F345 F346L139-F322 HydrophobicContact CD1-CD1 4.37Å; L139-F322 HydrophobicContact CD1-CE1 3.75Å; L139-F322 HydrophobicContact CD1-CZ 4.36Å; L143-F322 HydrophobicContact CD1-CE2 4.1Å; L143-F322 HydrophobicContact CD1-CZ 4.25Å; L228-F322 HydrophobicContact CD2-CZ 4.03Å; Q318-F322 WeakPolarHBondContact O-CB 3.49Å; Q318-F322 PolarHBondContact O-N 3.27Å; F319-F322 HydrophobicContact CD2-CD1 4.46Å; F319-F322 WeakPolarHBondContact O-CB 3.25Å; F319-F322 PolarHBondContact O-N 3.46Å; H320-F322 VanDerWaalsContact C-N 3.33Å; H320-F322 PolarHBondContact O-N 3.08Å; F322-R325 PolarHBondContact O-N 3.49Å; F322-C326 PolarHBondContact O-N 2.93Å; F322-C326 PolarHBondContact O-SG 3.32Å; F322-L340 HydrophobicContact CD2-CD2 4.03Å; F322-L340 HydrophobicContact CE2-CB 4.29Å; F322-L340 HydrophobicContact CE2-CD1 4.34Å; F322-L340 HydrophobicContact CE2-CD2 3.85Å; F322-L340 HydrophobicContact CE2-CG 4.39Å; F322-H343 HydrophobicContact CD2-CB 4.17Å; F322-H343 AromaticContact CD2-CG 3.95Å; F322-H343 AromaticContact CD2-ND1 3.88Å; F322-F345 HydrophobicContact CB-CB 4.11Å; F322-F345 HydrophobicContact CB-CD1 4.35Å; F322-F345 HydrophobicContact CB-CG 4.26Å; F322-F345 HydrophobicContact CD1-CD1 4.42Å; F322-F345 HydrophobicContact CD2-CD1 4.19Å; F322-F345 HydrophobicContact CG-CD1 4.05Å; F322-F345 HydrophobicContact CG-CG 4.45Å; F322-F346 HydrophobicContact CD2-CE2 4.1Å; F322-F346 HydrophobicContact CD2-CZ 4.27Å; F322-F346 AromaticContact CE2-CE2 3.65Å; F322-F346 HydrophobicContact CE2-CE2 3.65Å; F322-F346 AromaticContact CE2-CZ 3.65Å; F322-F346 HydrophobicContact CE2-CZ 3.65Å; F322-F346 HydrophobicContact CZ-CE2 4.46Å; F322-F346 HydrophobicContact CZ-CZ 4.03Å
323V98.5Very high96.5Very high4 Ų458.6 Ų58.62%0.02429%0.289CS..Hα-helixtrans-65.1-45.1179.91730000111.2A232 L262 F319 H320 R325 C326 L327A232-V323 HydrophobicContact CB-CG2 3.84Å; L262-V323 HydrophobicContact CD1-CG2 4.05Å; L262-V323 HydrophobicContact CD2-CG2 3.88Å; L262-V323 HydrophobicContact CG-CB 4.45Å; L262-V323 HydrophobicContact CG-CG2 3.97Å; F319-V323 HydrophobicContact CD2-CG2 4.11Å; F319-V323 HydrophobicContact CE2-CG2 3.81Å; F319-V323 HydrophobicContact CZ-CG2 4.44Å; F319-V323 WeakPolarHBondContact O-CG2 3.38Å; F319-V323 PolarHBondContact O-N 3.42Å; H320-V323 PolarHBondContact O-N 2.8Å; V323-R325 VanDerWaalsContact C-N 3.3Å; V323-R325 PolarHBondContact O-N 3.27Å; V323-C326 WeakPolarHBondContact O-CB 3.33Å; V323-C326 PolarHBondContact O-N 3.31Å; V323-C326 VanDerWaalsContact O-N 3.07Å; V323-L327 HydrophobicContact CG1-CD1 3.61Å; V323-L327 HydrophobicContact CG1-CG 4.24Å; V323-L327 WeakPolarHBondContact O-CG 3.27Å; V323-L327 PolarHBondContact O-N 2.97Å
324E97.8Very high97.2Very high110 Ų11055.9 Ų55.951%0.51428%0.279SS..Hα-helixtrans-57.3-41.6177.3-176.9-174.7-158.300112.3H320 N321 C326 L327 Q328H320-E324 WeakPolarHBondContact O-CB 3.3Å; H320-E324 PolarHBondContact O-N 3.02Å; N321-E324 PolarHBondContact O-N 3.22Å; E324-C326 VanDerWaalsContact C-N 3.34Å; E324-L327 PolarHBondContact O-N 3.46Å; E324-Q328 PolarHBondContact O-N 2.82Å; E324-Q328 PolarHBondContact O-NE2 3.42Å
325R98.2Very high97.5Very high88 Ų8852.1 Ų52.133%0.33226%0.255SS..Hα-helixtrans-68-33.5176.7-71.3-174.472.7-176.42.1112.7N321 F322 V323 Q328 P335N321-R325 VanDerWaalsContact O-CG 3.3Å; N321-R325 WeakPolarHBondContact O-CG 3.35Å; N321-R325 PolarHBondContact O-N 3.1Å; F322-R325 PolarHBondContact O-N 3.49Å; V323-R325 VanDerWaalsContact C-N 3.3Å; V323-R325 PolarHBondContact O-N 3.27Å; R325-Q328 WeakPolarHBondContact O-CG 3.42Å; R325-P335 HydrophobicContact CB-CG 4.32Å; R325-P335 WeakPolarHBondContact O-CD 3.06Å
326C98.6Very high97.6Very high0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-71.3-37.9176.4-65.90000111.9I225 Y226 F322 V323 E324 Q328 R334I225-C326 HydrophobicContact CG2-CB 4.31Å; I225-C326 WeakPolarHBondContact O-CB 3Å; Y226-C326 WeakPolarHBondContact CA-O 3.06Å; F322-C326 PolarHBondContact O-N 2.93Å; F322-C326 PolarHBondContact O-SG 3.32Å; V323-C326 WeakPolarHBondContact O-CB 3.33Å; V323-C326 PolarHBondContact O-N 3.31Å; V323-C326 VanDerWaalsContact O-N 3.07Å; E324-C326 VanDerWaalsContact C-N 3.34Å; C326-Q328 VanDerWaalsContact C-N 3.34Å; C326-Q328 PolarHBondContact O-N 3.07Å; C326-R334 WeakPolarHBondContact O-CD 3.47Å
327L97.9Very high97.6Very high4 Ų452.3 Ų52.32%0.02126%0.259CS..THydrogen-bonded Turntrans-92.315.3-172.9-62.1179.9000114.5Y226 I230 V259 P260 V323 E324 R329Y226-L327 HydrophobicContact CD2-CD2 3.87Å; Y226-L327 HydrophobicContact CE2-CD2 3.82Å; Y226-L327 HydrophobicContact CG-CD2 4.25Å; I230-L327 HydrophobicContact CD1-CD2 3.68Å; I230-L327 HydrophobicContact CG1-CD2 3.91Å; V259-L327 HydrophobicContact CG1-CB 3.77Å; V259-L327 HydrophobicContact CG1-CD1 4.18Å; P260-L327 HydrophobicContact CB-CD1 4.2Å; P260-L327 WeakPolarHBondContact O-CD1 3.31Å; V323-L327 HydrophobicContact CG1-CD1 3.61Å; V323-L327 HydrophobicContact CG1-CG 4.24Å; V323-L327 WeakPolarHBondContact O-CG 3.27Å; V323-L327 PolarHBondContact O-N 2.97Å; E324-L327 PolarHBondContact O-N 3.46Å; L327-R329 PolarHBondContact O-N 3.04Å
328Q97.3Very high97.6Very high67 Ų6750 Ų5031%0.31325%0.248SC..  trans-54.7131.7172-66.3-63.1-48.400110.5E324 R325 C326 N333 R334E324-Q328 PolarHBondContact O-N 2.82Å; E324-Q328 PolarHBondContact O-NE2 3.42Å; R325-Q328 WeakPolarHBondContact O-CG 3.42Å; C326-Q328 VanDerWaalsContact C-N 3.34Å; C326-Q328 PolarHBondContact O-N 3.07Å; Q328-N333 HydrophobicContact CB-CB 4.13Å; Q328-N333 HydrophobicContact CG-CB 4.23Å; Q328-R334 HydrophobicContact CB-CG 3.92Å; Q328-R334 PolarHBondContact O-NE 3.19Å; Q328-R334 PolarHBondContact O-NH2 3.34Å
329R93.4Very high97.6Very high156 Ų15649.6 Ų49.659%0.58925%0.251SS*.SBendtrans-61.6-50-178.5-176.2178.966.2-175.1-2.5111.3L327 P331 R334L327-R329 PolarHBondContact O-N 3.04Å; R329-P331 WeakPolarHBondContact O-CD 3.4Å; R329-R334 PolarHBondContact O-NH2 3.49Å
330D95.4Very high97.6Very high72 Ų7249.6 Ų49.639%0.38525%0.251SS..SBendtrans-73.6118.2176.2-175.3-9.5000109.7E332 N333D330-E332 PolarHBondContact O-N 2.93Å; D330-E332 WeakPolarHBondContact OD1-CB 3.46Å; D330-E332 PolarHBondContact OD1-N 2.82Å; D330-N333 PolarHBondContact O-N 3.22Å; D330-N333 VanDerWaalsContact O-N 3.13Å
331P96.6Very high97.6Very high29 Ų2949.6 Ų49.619%0.18825%0.254CS..G310 helixtrans-58.8-27.9178.125.3-34.6000112.4E210 R222 R329 N333 R334E210-P331 HydrophobicContact CG-CG 4.41Å; R222-P331 HydrophobicContact CB-CB 4.29Å; R222-P331 WeakPolarHBondContact CD-O 3.23Å; R329-P331 WeakPolarHBondContact O-CD 3.4Å; P331-N333 PolarHBondContact O-N 2.98Å; P331-R334 WeakPolarHBondContact O-CB 3.49Å; P331-R334 PolarHBondContact O-N 3.2Å
332E96.8Very high97.5Very high113 Ų11349.5 Ų49.553%0.52827%0.269SS..G310 helixtrans-62.6-27.8178.3-60.6-63141.400113.5R222 D330R222-E332 IonicContact CZ-OE1 3.53Å; R222-E332 VanDerWaalsContact CZ-OE1 3.26Å; R222-E332 IonicContact CZ-OE2 3.31Å; R222-E332 VanDerWaalsContact NH1-CA 3.34Å; R222-E332 IonicContact NH1-OE1 2.89Å; R222-E332 PolarHBondContact NH1-OE1 3.36Å; R222-E332 VanDerWaalsContact NH1-OE1 3.15Å; R222-E332 IonicContact NH1-OE2 3.49Å; R222-E332 PolarHBondContact NH1-OE2 3Å; R222-E332 IonicContact NH2-OE1 2.7Å; R222-E332 PolarHBondContact NH2-OE1 3.26Å; R222-E332 IonicContact NH2-OE2 3.53Å; D330-E332 PolarHBondContact O-N 2.93Å; D330-E332 WeakPolarHBondContact OD1-CB 3.46Å; D330-E332 PolarHBondContact OD1-N 2.82Å
333N97.7Very high97.5Very high102 Ų10249.8 Ų49.855%0.54527%0.27SS..G310 helixtrans-86.2-8.7178.4-65.1-39.3000113Q328 D330 P331Q328-N333 HydrophobicContact CB-CB 4.13Å; Q328-N333 HydrophobicContact CG-CB 4.23Å; D330-N333 PolarHBondContact O-N 3.22Å; D330-N333 VanDerWaalsContact O-N 3.13Å; P331-N333 PolarHBondContact O-N 2.98Å
334R98.3Very high97.5Very high7 Ų752.7 Ų52.73%0.02629%0.289CS..SBendtrans-78.9127.6177.5-62.8-179.7-153.8142.810.1109.9E210 R222 I225 C326 Q328 R329 P331E210-R334 IonicContact OE1-CZ 3.65Å; E210-R334 IonicContact OE1-NH1 2.79Å; E210-R334 PolarHBondContact OE1-NH1 3.42Å; E210-R334 IonicContact OE1-NH2 2.66Å; E210-R334 IonicContact OE2-CZ 3.96Å; E210-R334 IonicContact OE2-NH1 3.08Å; E210-R334 PolarHBondContact OE2-NH1 3.03Å; E210-R334 IonicContact OE2-NH2 3.99Å; E210-R334 PolarHBondContact OE2-NH2 3.41Å; R222-R334 HydrophobicContact CB-CB 4.48Å; R222-R334 WeakPolarHBondContact O-CD 3.26Å; R222-R334 PolarHBondContact O-NH1 3.25Å; I225-R334 HydrophobicContact CG2-CB 4.27Å; C326-R334 WeakPolarHBondContact O-CD 3.47Å; Q328-R334 HydrophobicContact CB-CG 3.92Å; Q328-R334 PolarHBondContact O-NE 3.19Å; Q328-R334 PolarHBondContact O-NH2 3.34Å; R329-R334 PolarHBondContact O-NH2 3.49Å; P331-R334 WeakPolarHBondContact O-CB 3.49Å; P331-R334 PolarHBondContact O-N 3.2Å
335P98.3Very high97.6Very high12 Ų1247.5 Ų47.58%0.07827%0.265CS..PPolyproline II helixtrans-65154.7174.427.7-33.9000111.5R325 T339 L340R325-P335 HydrophobicContact CB-CG 4.32Å; R325-P335 WeakPolarHBondContact O-CD 3.06Å; P335-T339 HydrophobicContact CB-CG2 4.02Å; P335-L340 HydrophobicContact CB-CD2 4.21Å; P335-L340 HydrophobicContact CB-CG 3.98Å; P335-L340 HydrophobicContact CG-CD1 3.92Å; P335-L340 HydrophobicContact CG-CD2 3.42Å; P335-L340 VanDerWaalsContact CG-CD2 3.42Å; P335-L340 HydrophobicContact CG-CG 3.5Å
336S98.5Very high97.6Very high39 Ų3944.1 Ų44.127%0.27325%0.252SS..PPolyproline II helixtrans-70162.917172.50000111.4A338 T339 L340S336-A338 VanDerWaalsContact C-N 3.29Å; S336-A338 PolarHBondContact O-N 3.4Å; S336-T339 PolarHBondContact O-N 3.16Å; S336-T339 VanDerWaalsContact O-N 3.15Å; S336-T339 PolarHBondContact OG-N 3.46Å; S336-T339 PolarHBondContact OG-OG1 3.05Å; S336-T339 VanDerWaalsContact OG-OG1 3.09Å; S336-L340 PolarHBondContact O-N 3.16Å
337A98.3Very high97.5Very high2 Ų252 Ų522%0.01729%0.287CS..Hα-helixtrans-55.6-44.8174.300000111.8L143 L146 E147 I225 T339 L340 T341L143-A337 HydrophobicContact CD2-CB 3.99Å; L146-A337 HydrophobicContact CB-CB 4.09Å; E147-A337 HydrophobicContact CB-CB 3.97Å; I225-A337 HydrophobicContact CD1-CB 4.05Å; A337-T339 VanDerWaalsContact C-N 3.33Å; A337-T339 PolarHBondContact O-N 3.48Å; A337-L340 PolarHBondContact O-N 3.17Å; A337-L340 VanDerWaalsContact O-N 3.12Å; A337-T341 PolarHBondContact O-N 2.99Å; A337-T341 PolarHBondContact O-OG1 3.35Å; A337-T341 VanDerWaalsContact O-OG1 3.08Å
338A97.4Very high97.5Very high50 Ų5054.6 Ų54.641%0.41330%0.299SS..Hα-helixtrans-58.4-41.8177.100000112.6E147 S336E147-A338 HydrophobicContact CG-CB 4.05Å; S336-A338 VanDerWaalsContact C-N 3.29Å; S336-A338 PolarHBondContact O-N 3.4Å
339T98.2Very high97.5Very high80 Ų8053.2 Ų53.249%0.49129%0.293SS..Hα-helixtrans-68-39176.2-570000111.8P335 S336 A337 G342P335-T339 HydrophobicContact CB-CG2 4.02Å; S336-T339 PolarHBondContact O-N 3.16Å; S336-T339 VanDerWaalsContact O-N 3.15Å; S336-T339 PolarHBondContact OG-N 3.46Å; S336-T339 PolarHBondContact OG-OG1 3.05Å; S336-T339 VanDerWaalsContact OG-OG1 3.09Å; A337-T339 VanDerWaalsContact C-N 3.33Å; A337-T339 PolarHBondContact O-N 3.48Å; T339-G342 PolarHBondContact O-N 3.14Å
340L98.3Very high97.6Very high0 Ų054.8 Ų54.80%030%0.304CS..Hα-helixtrans-69.4-30.8179.2-79.5176.2000113.2L143 I225 L228 F322 P335 S336 A337 G342 H343 F346L143-L340 HydrophobicContact CD1-CB 3.86Å; L143-L340 HydrophobicContact CD2-CB 3.67Å; L143-L340 HydrophobicContact CD2-CD1 4.03Å; L143-L340 HydrophobicContact CG-CB 4.46Å; I225-L340 HydrophobicContact CD1-CD1 4.34Å; I225-L340 HydrophobicContact CG2-CD1 3.66Å; L228-L340 HydrophobicContact CD2-CD1 4.47Å; F322-L340 HydrophobicContact CD2-CD2 4.03Å; F322-L340 HydrophobicContact CE2-CB 4.29Å; F322-L340 HydrophobicContact CE2-CD1 4.34Å; F322-L340 HydrophobicContact CE2-CD2 3.85Å; F322-L340 HydrophobicContact CE2-CG 4.39Å; P335-L340 HydrophobicContact CB-CD2 4.21Å; P335-L340 HydrophobicContact CB-CG 3.98Å; P335-L340 HydrophobicContact CG-CD1 3.92Å; P335-L340 HydrophobicContact CG-CD2 3.42Å; P335-L340 VanDerWaalsContact CG-CD2 3.42Å; P335-L340 HydrophobicContact CG-CG 3.5Å; S336-L340 PolarHBondContact O-N 3.16Å; A337-L340 PolarHBondContact O-N 3.17Å; A337-L340 VanDerWaalsContact O-N 3.12Å; L340-G342 PolarHBondContact O-N 3.47Å; L340-G342 VanDerWaalsContact O-N 3.1Å; L340-H343 WeakPolarHBondContact O-CB 3.33Å; L340-H343 PolarHBondContact O-N 2.57Å; L340-F346 WeakPolarHBondContact O-CD2 3.44Å; L340-F346 WeakPolarHBondContact O-CE2 3.42Å
341T97Very high97.7Very high41 Ų4156.5 Ų56.525%0.25231%0.305SS..Hα-helixtrans-54.3-31.2174.9-59.70000112.1L140 A337L140-T341 HydrophobicContact CD1-CG2 3.96Å; A337-T341 PolarHBondContact O-N 2.99Å; A337-T341 PolarHBondContact O-OG1 3.35Å; A337-T341 VanDerWaalsContact O-OG1 3.08Å
342G97.1Very high97.6Very high63 Ų6363.9 Ų63.965%0.64933%0.329SS*.THydrogen-bonded Turntrans-876.3176.100000115.8T339 L340T339-G342 PolarHBondContact O-N 3.14Å; L340-G342 PolarHBondContact O-N 3.47Å; L340-G342 VanDerWaalsContact O-N 3.1Å
343H98.6Very high97.4Very high7 Ų761.2 Ų61.23%0.03232%0.322CS..  trans-64141.4-175.6-165.6-97.3000112.2Q318 N321 F322 L340 F345 F346Q318-H343 PolarHBondContact O-CE1 2.88Å; N321-H343 PolarHBondContact OD1-NE2 3.13Å; F322-H343 HydrophobicContact CD2-CB 4.17Å; F322-H343 AromaticContact CD2-CG 3.95Å; F322-H343 AromaticContact CD2-ND1 3.88Å; L340-H343 WeakPolarHBondContact O-CB 3.33Å; L340-H343 PolarHBondContact O-N 2.57Å; H343-F345 WeakPolarHBondContact ND1-CB 3.48Å; H343-F345 PolarHBondContact ND1-N 3.45Å; H343-F345 PolarHBondContact O-N 2.78Å; H343-F346 HydrophobicContact CB-CD2 4.01Å; H343-F346 HydrophobicContact CB-CE2 4.13Å; H343-F346 PolarHBondContact O-N 3.47Å
344P98.4Very high97.1Very high65 Ų6558.9 Ų58.942%0.42232%0.316SS..G310 helixtrans-54.4-26.4178.6-29.236.4000115.1Q318 F346 K347Q318-P344 HydrophobicContact CG-CB 4.16Å; P344-F346 PolarHBondContact O-N 2.93Å; P344-K347 WeakPolarHBondContact O-CB 3.49Å; P344-K347 PolarHBondContact O-N 2.99Å
345F98.6Very high96.8Very high1 Ų162.9 Ų62.90%0.00434%0.336CS..G310 helixtrans-51.5-37173.5174-120.5000112.8E132 A136 L139 Q318 F319 F322 H343 K347 Q348E132-F345 HydrophobicContact CG-CE2 3.64Å; E132-F345 HydrophobicContact CG-CZ 4.28Å; A136-F345 HydrophobicContact CB-CE1 3.83Å; A136-F345 HydrophobicContact CB-CE2 4.28Å; A136-F345 HydrophobicContact CB-CZ 3.64Å; L139-F345 HydrophobicContact CD1-CE1 4.04Å; Q318-F345 HydrophobicContact CB-CB 4.27Å; F319-F345 HydrophobicContact CB-CD2 3.61Å; F319-F345 HydrophobicContact CB-CE2 3.47Å; F319-F345 VanDerWaalsContact CB-CE2 3.47Å; F319-F345 HydrophobicContact CB-CZ 4.38Å; F319-F345 HydrophobicContact CD1-CE2 4.23Å; F319-F345 HydrophobicContact CD2-CD1 4.45Å; F319-F345 AromaticContact CD2-CD2 3.94Å; F319-F345 HydrophobicContact CD2-CD2 3.94Å; F319-F345 AromaticContact CD2-CE1 3.97Å; F319-F345 HydrophobicContact CD2-CE1 3.97Å; F319-F345 AromaticContact CD2-CE2 3.39Å; F319-F345 HydrophobicContact CD2-CE2 3.39Å; F319-F345 HydrophobicContact CD2-CG 4.44Å; F319-F345 AromaticContact CD2-CZ 3.41Å; F319-F345 HydrophobicContact CD2-CZ 3.41Å; F319-F345 VanDerWaalsContact CD2-CZ 3.41Å; F319-F345 HydrophobicContact CE2-CE1 4.27Å; F319-F345 HydrophobicContact CE2-CE2 4.22Å; F319-F345 AromaticContact CE2-CZ 3.8Å; F319-F345 HydrophobicContact CE2-CZ 3.8Å; F319-F345 HydrophobicContact CG-CD2 4.01Å; F319-F345 AromaticContact CG-CE2 3.43Å; F319-F345 HydrophobicContact CG-CE2 3.43Å; F319-F345 VanDerWaalsContact CG-CE2 3.43Å; F319-F345 AromaticContact CG-CZ 3.88Å; F319-F345 HydrophobicContact CG-CZ 3.88Å; F322-F345 HydrophobicContact CB-CB 4.11Å; F322-F345 HydrophobicContact CB-CD1 4.35Å; F322-F345 HydrophobicContact CB-CG 4.26Å; F322-F345 HydrophobicContact CD1-CD1 4.42Å; F322-F345 HydrophobicContact CD2-CD1 4.19Å; F322-F345 HydrophobicContact CG-CD1 4.05Å; F322-F345 HydrophobicContact CG-CG 4.45Å; H343-F345 WeakPolarHBondContact ND1-CB 3.48Å; H343-F345 PolarHBondContact ND1-N 3.45Å; H343-F345 PolarHBondContact O-N 2.78Å; F345-K347 VanDerWaalsContact C-N 3.34Å; F345-K347 PolarHBondContact O-N 3.21Å; F345-Q348 VanDerWaalsContact CD2-NE2 3.34Å; F345-Q348 VanDerWaalsContact O-CG 3.31Å; F345-Q348 WeakPolarHBondContact O-CG 3.29Å; F345-Q348 PolarHBondContact O-NE2 2.99Å
346F98.5Very high96.7Very high16 Ų1662.6 Ų62.67%0.0733%0.334CS..G310 helixtrans-82.2-7-178.5-59.4-65000114A136 L139 L140 L143 F322 L340 H343 P344 Q348 I349A136-F346 HydrophobicContact CB-CD1 4.4Å; A136-F346 WeakPolarHBondContact O-CE1 3.24Å; L139-F346 HydrophobicContact CB-CE1 4.1Å; L139-F346 HydrophobicContact CB-CZ 4.24Å; L140-F346 HydrophobicContact CB-CD1 3.91Å; L140-F346 HydrophobicContact CB-CE1 3.9Å; L140-F346 HydrophobicContact CD1-CD1 4.33Å; L140-F346 HydrophobicContact CD1-CG 4.32Å; L143-F346 HydrophobicContact CD1-CE2 3.46Å; L143-F346 VanDerWaalsContact CD1-CE2 3.46Å; L143-F346 HydrophobicContact CD1-CZ 3.4Å; L143-F346 VanDerWaalsContact CD1-CZ 3.4Å; F322-F346 HydrophobicContact CD2-CE2 4.1Å; F322-F346 HydrophobicContact CD2-CZ 4.27Å; F322-F346 AromaticContact CE2-CE2 3.65Å; F322-F346 HydrophobicContact CE2-CE2 3.65Å; F322-F346 AromaticContact CE2-CZ 3.65Å; F322-F346 HydrophobicContact CE2-CZ 3.65Å; F322-F346 HydrophobicContact CZ-CE2 4.46Å; F322-F346 HydrophobicContact CZ-CZ 4.03Å; L340-F346 WeakPolarHBondContact O-CD2 3.44Å; L340-F346 WeakPolarHBondContact O-CE2 3.42Å; H343-F346 HydrophobicContact CB-CD2 4.01Å; H343-F346 HydrophobicContact CB-CE2 4.13Å; H343-F346 PolarHBondContact O-N 3.47Å; P344-F346 PolarHBondContact O-N 2.93Å; F346-Q348 PolarHBondContact O-N 3.03Å; F346-Q348 VanDerWaalsContact O-N 3.12Å; F346-I349 HydrophobicContact CB-CD1 4.46Å; F346-I349 HydrophobicContact CD1-CD1 4.03Å; F346-I349 WeakPolarHBondContact O-CB 3.39Å; F346-I349 PolarHBondContact O-N 3.32Å
347K97.6Very high96.5Very high167 Ų16760.7 Ų60.773%0.72632%0.321SS*.G310 helixtrans-64.7-15.3176.8-68.1-177.2176.7-177.30113.4P344 F345 I349P344-K347 WeakPolarHBondContact O-CB 3.49Å; P344-K347 PolarHBondContact O-N 2.99Å; F345-K347 VanDerWaalsContact C-N 3.34Å; F345-K347 PolarHBondContact O-N 3.21Å; K347-I349 VanDerWaalsContact C-N 3.26Å
348Q96.9Very high96.4Very high58 Ų5862.1 Ų62.127%0.27133%0.33SS..G310 helixtrans-71.7-20173.670.1-175.1-70.100113.4E132 L133 A136 F345 F346 K350E132-Q348 PolarHBondContact OE1-NE2 3.12Å; L133-Q348 HydrophobicContact CD1-CB 4.4Å; L133-Q348 HydrophobicContact CD1-CG 3.83Å; A136-Q348 HydrophobicContact CB-CG 4.13Å; F345-Q348 VanDerWaalsContact CD2-NE2 3.34Å; F345-Q348 VanDerWaalsContact O-CG 3.31Å; F345-Q348 WeakPolarHBondContact O-CG 3.29Å; F345-Q348 PolarHBondContact O-NE2 2.99Å; F346-Q348 PolarHBondContact O-N 3.03Å; F346-Q348 VanDerWaalsContact O-N 3.12Å; Q348-K350 PolarHBondContact O-N 3.04Å
349I97.4Very high96.2Very high37 Ų3764.6 Ų64.619%0.1933%0.333CS..  trans-75.9113.5178.2-66.7170.8000109.1L133 A136 Y137 L140 F346 K347L133-I349 HydrophobicContact CD1-CG1 4.42Å; A136-I349 HydrophobicContact CB-CD1 4.04Å; A136-I349 HydrophobicContact CB-CG1 4.16Å; Y137-I349 HydrophobicContact CD1-CD1 4.3Å; Y137-I349 HydrophobicContact CD1-CG1 4.41Å; Y137-I349 HydrophobicContact CD1-CG2 4.21Å; Y137-I349 HydrophobicContact CD2-CG1 4.44Å; Y137-I349 HydrophobicContact CE1-CB 4.46Å; Y137-I349 HydrophobicContact CE1-CG1 4.31Å; Y137-I349 HydrophobicContact CE1-CG2 3.49Å; Y137-I349 VanDerWaalsContact CE1-CG2 3.49Å; Y137-I349 HydrophobicContact CE2-CG1 4.31Å; Y137-I349 HydrophobicContact CG-CD1 4.42Å; Y137-I349 HydrophobicContact CG-CG1 4.47Å; L140-I349 HydrophobicContact CB-CD1 4.15Å; L140-I349 HydrophobicContact CD2-CD1 3.64Å; F346-I349 HydrophobicContact CB-CD1 4.46Å; F346-I349 HydrophobicContact CD1-CD1 4.03Å; F346-I349 WeakPolarHBondContact O-CB 3.39Å; F346-I349 PolarHBondContact O-N 3.32Å; K347-I349 VanDerWaalsContact C-N 3.26Å
350K96.3Very high96.1Very high190 Ų19063.1 Ų63.183%0.82632%0.322SS*.  trans-115.2-24.6-177.3-64.5177.2-176.9177.40114.1Q348Q348-K350 PolarHBondContact O-N 3.04Å
351R96.6Very high95.9Very high107 Ų10763.1 Ų63.140%0.40432%0.322SS..SBendtrans-113.7162.3-176.8-69.9171.168.6-169.51.8110.4Y137 E355 A356 E359Y137-R351 WeakPolarHBondContact CE1-O 3.39Å; Y137-R351 PolarHBondContact OH-N 3.35Å; Y137-R351 PolarHBondContact OH-O 3.37Å; R351-E355 IonicContact NE-OE2 3.6Å; R351-E355 PolarHBondContact NH2-O 3.15Å; R351-A356 HydrophobicContact CB-CB 4.08Å; R351-E359 IonicContact CZ-OE1 3.55Å; R351-E359 IonicContact CZ-OE2 3.6Å; R351-E359 IonicContact NH1-OE1 2.69Å; R351-E359 IonicContact NH1-OE2 3.94Å; R351-E359 PolarHBondContact NH1-OE2 2.67Å; R351-E359 IonicContact NH2-OE1 3.54Å; R351-E359 PolarHBondContact NH2-OE1 3.05Å; R351-E359 IonicContact NH2-OE2 3.72Å; R351-E359 PolarHBondContact NH2-OE2 2.7Å
352R94.4Very high95.6Very high185 Ų18568 Ų6870%0.69834%0.341SS*.  trans-67.3149173.7-67.7-179.2176.6-176.31.2110.1A354 E355 A356R352-A354 PolarHBondContact O-N 2.92Å; R352-E355 HydrophobicContact CB-CG 4.48Å; R352-E355 PolarHBondContact O-N 2.67Å; R352-A356 PolarHBondContact O-N 3.28Å; R352-A356 VanDerWaalsContact O-N 3.16Å
353P92.7Very high95.2Very high56 Ų5670 Ų7036%0.36434%0.344SS..Hα-helixtrans-51.9-41.1177.7-25.532.6000112.7Y137 G170 E355 A356 L357Y137-P353 HydrophobicContact CD1-CB 4.09Å; Y137-P353 HydrophobicContact CD1-CG 3.95Å; Y137-P353 HydrophobicContact CE1-CB 4.37Å; Y137-P353 HydrophobicContact CE1-CG 4.13Å; G170-P353 WeakPolarHBondContact O-CB 3.42Å; P353-E355 PolarHBondContact O-N 3.21Å; P353-A356 PolarHBondContact O-N 3.26Å; P353-L357 HydrophobicContact CB-CD1 4.18Å; P353-L357 WeakPolarHBondContact O-CB 3.23Å; P353-L357 PolarHBondContact O-N 3.13Å
354A91.6Very high94.7Very high53 Ų5370.4 Ų70.444%0.43835%0.346SS..Hα-helixtrans-63.6-23.4-179.400000115.7D169 R352D169-A354 WeakPolarHBondContact O-CA 3.47Å; D169-A354 WeakPolarHBondContact O-CB 3.35Å; R352-A354 PolarHBondContact O-N 2.92Å
355E92.5Very high94.2Very high92 Ų9271.9 Ų71.943%0.4336%0.358SS..Hα-helixtrans-93.3-30.6177.9-64163.5-156.700111.7R351 R352 P353R351-E355 IonicContact NE-OE2 3.6Å; R351-E355 PolarHBondContact NH2-O 3.15Å; R352-E355 HydrophobicContact CB-CG 4.48Å; R352-E355 PolarHBondContact O-N 2.67Å; P353-E355 PolarHBondContact O-N 3.21Å
356A95.7Very high93.6Very high5 Ų573.2 Ų73.24%0.04137%0.367CS..Hα-helixtrans-101.7-44-17000000113.5Y137 R351 R352 P353 E359 L360Y137-A356 HydrophobicContact CE1-CB 4.39Å; Y137-A356 HydrophobicContact CE2-CB 3.7Å; Y137-A356 WeakPolarHBondContact OH-CB 3.29Å; R351-A356 HydrophobicContact CB-CB 4.08Å; R352-A356 PolarHBondContact O-N 3.28Å; R352-A356 VanDerWaalsContact O-N 3.16Å; P353-A356 PolarHBondContact O-N 3.26Å; A356-E359 PolarHBondContact O-N 3.21Å; A356-L360 HydrophobicContact CB-CD1 4.35Å; A356-L360 VanDerWaalsContact O-CG 3.25Å; A356-L360 WeakPolarHBondContact O-CG 3.21Å; A356-L360 PolarHBondContact O-N 2.89Å
357L94.8Very high92.8Very high0 Ų076.5 Ų76.50%038%0.384CS..Hα-helixtrans-62.6-44.6-174.1-86.5177.7000113.2T134 Y137 G170 V172 P353 E359 L360 L361T134-L357 HydrophobicContact CG2-CD2 4Å; Y137-L357 HydrophobicContact CD1-CG 4.48Å; Y137-L357 HydrophobicContact CD2-CD2 4.3Å; Y137-L357 HydrophobicContact CD2-CG 4.35Å; Y137-L357 HydrophobicContact CG-CD1 4.44Å; Y137-L357 HydrophobicContact CG-CD2 4.16Å; Y137-L357 HydrophobicContact CG-CG 3.98Å; G170-L357 VanDerWaalsContact O-CD1 3.28Å; G170-L357 WeakPolarHBondContact O-CD1 3.4Å; V172-L357 HydrophobicContact CG2-CD1 3.58Å; P353-L357 HydrophobicContact CB-CD1 4.18Å; P353-L357 WeakPolarHBondContact O-CB 3.23Å; P353-L357 PolarHBondContact O-N 3.13Å; L357-E359 PolarHBondContact O-N 3.24Å; L357-L360 PolarHBondContact O-N 2.86Å; L357-L360 VanDerWaalsContact O-N 3.13Å; L357-L361 WeakPolarHBondContact O-CB 3.38Å; L357-L361 VanDerWaalsContact O-CG 3.24Å; L357-L361 WeakPolarHBondContact O-CG 3.31Å; L357-L361 PolarHBondContact O-N 3.05Å
358P94.7Very high91.5Very high31 Ų3172.8 Ų72.820%0.20138%0.376CS..Hα-helixtrans-58.4-35.5176.4-27.136.9000113.4
359E94.7Very high89.4Confident102 Ų10275.2 Ų75.248%0.47740%0.398SS..Hα-helixtrans-70.1-42.8175.1-64.3175.5-171.400111.5R351 A356 L357 L361 Q362R351-E359 IonicContact CZ-OE1 3.55Å; R351-E359 IonicContact CZ-OE2 3.6Å; R351-E359 IonicContact NH1-OE1 2.69Å; R351-E359 IonicContact NH1-OE2 3.94Å; R351-E359 PolarHBondContact NH1-OE2 2.67Å; R351-E359 IonicContact NH2-OE1 3.54Å; R351-E359 PolarHBondContact NH2-OE1 3.05Å; R351-E359 IonicContact NH2-OE2 3.72Å; R351-E359 PolarHBondContact NH2-OE2 2.7Å; A356-E359 PolarHBondContact O-N 3.21Å; L357-E359 PolarHBondContact O-N 3.24Å; E359-L361 VanDerWaalsContact C-N 3.29Å; E359-L361 PolarHBondContact O-N 2.92Å; E359-Q362 WeakPolarHBondContact O-CB 3.24Å; E359-Q362 WeakPolarHBondContact O-CG 3.38Å; E359-Q362 PolarHBondContact O-N 3.36Å
360L95.5Very high87.7Confident50 Ų5076.6 Ų76.626%0.26240%0.402SS..Hα-helixtrans-70.7-23.9-179.1-68.8169.6000113.6L133 Y137 A356 L357 Q362L133-L360 HydrophobicContact CB-CD1 4.39Å; L133-L360 HydrophobicContact CD2-CD1 3.94Å; L133-L360 HydrophobicContact CD2-CD2 4.03Å; L133-L360 HydrophobicContact CG-CD1 3.79Å; L133-L360 HydrophobicContact CG-CD2 4.49Å; Y137-L360 HydrophobicContact CD2-CD1 3.93Å; Y137-L360 HydrophobicContact CE2-CD1 3.96Å; A356-L360 HydrophobicContact CB-CD1 4.35Å; A356-L360 VanDerWaalsContact O-CG 3.25Å; A356-L360 WeakPolarHBondContact O-CG 3.21Å; A356-L360 PolarHBondContact O-N 2.89Å; L357-L360 PolarHBondContact O-N 2.86Å; L357-L360 VanDerWaalsContact O-N 3.13Å; L360-Q362 VanDerWaalsContact C-N 3.31Å
361L94.8Very high85Confident0 Ų075.8 Ų75.80%040%0.402CS..THydrogen-bonded Turntrans-83.7-3.7177.5-69.6175.2000113.1Y115 L121 F126 T134 I166 L357 E359 V364Y115-L361 HydrophobicContact CD1-CD1 3.94Å; Y115-L361 HydrophobicContact CD2-CD1 4.1Å; Y115-L361 HydrophobicContact CE1-CB 4.16Å; Y115-L361 HydrophobicContact CE1-CD1 4.04Å; Y115-L361 HydrophobicContact CE2-CD1 4.21Å; Y115-L361 HydrophobicContact CG-CD1 3.97Å; L121-L361 HydrophobicContact CD1-CD1 4.4Å; L121-L361 HydrophobicContact CD1-CD2 3.87Å; F126-L361 HydrophobicContact CE2-CD2 4.1Å; F126-L361 HydrophobicContact CZ-CD2 4.41Å; T134-L361 HydrophobicContact CG2-CD2 3.97Å; I166-L361 HydrophobicContact CD1-CD1 4.36Å; I166-L361 HydrophobicContact CG2-CD1 4.24Å; L357-L361 WeakPolarHBondContact O-CB 3.38Å; L357-L361 VanDerWaalsContact O-CG 3.24Å; L357-L361 WeakPolarHBondContact O-CG 3.31Å; L357-L361 PolarHBondContact O-N 3.05Å; E359-L361 VanDerWaalsContact C-N 3.29Å; E359-L361 PolarHBondContact O-N 2.92Å; L361-V364 WeakPolarHBondContact O-CA 3.4Å; L361-V364 WeakPolarHBondContact O-CB 3.4Å; L361-V364 VanDerWaalsContact O-CG2 3.29Å; L361-V364 WeakPolarHBondContact O-CG2 3.46Å; L361-V364 PolarHBondContact O-N 3.15Å
362Q90.6Very high82.2Confident142 Ų14275.9 Ų75.966%0.66442%0.419SS*.THydrogen-bonded Turntrans-58.4141.5172.8-70.1-169-6.600111.2E359 L360E359-Q362 WeakPolarHBondContact O-CB 3.24Å; E359-Q362 WeakPolarHBondContact O-CG 3.38Å; E359-Q362 PolarHBondContact O-N 3.36Å; L360-Q362 VanDerWaalsContact C-N 3.31Å
363P87.8Confident79.3Confident107 Ų10772.2 Ų72.270%0.69542%0.421SS*.THydrogen-bonded Turncis-85.85.211.335.5-37.2000115.1S365P363-S365 PolarHBondContact O-N 3.22Å
364V89.6Confident76.4Confident15 Ų1572 Ų729%0.09143%0.429CS..PPolyproline II helixtrans-64.6123.8-179.8-167.70000109.6Y115 L121 H125 F126 L361Y115-V364 HydrophobicContact CD1-CG1 4.1Å; Y115-V364 HydrophobicContact CE1-CG1 4.4Å; L121-V364 HydrophobicContact CD2-CB 4.36Å; L121-V364 HydrophobicContact CD2-CG1 3.83Å; L121-V364 HydrophobicContact CD2-CG2 4.25Å; H125-V364 HydrophobicContact CB-CG2 3.51Å; F126-V364 HydrophobicContact CE2-CG2 3.74Å; F126-V364 HydrophobicContact CZ-CG2 4.17Å; L361-V364 WeakPolarHBondContact O-CA 3.4Å; L361-V364 WeakPolarHBondContact O-CB 3.4Å; L361-V364 VanDerWaalsContact O-CG2 3.29Å; L361-V364 WeakPolarHBondContact O-CG2 3.46Å; L361-V364 PolarHBondContact O-N 3.15Å
365S86.1Confident74.1Confident96 Ų9675.7 Ų75.767%0.67145%0.449SS*.PPolyproline II helixtrans-95.9141.1170.5-63.60000109.7P363P363-S365 PolarHBondContact O-N 3.22Å
366P86.9Confident71.4Confident29 Ų2979.5 Ų79.519%0.18847%0.467CS..PPolyproline II helixtrans-63.2148.4175.225.5-28.1000109.3A114 Y115 A168 T368A114-P366 HydrophobicContact CB-CB 3.81Å; Y115-P366 HydrophobicContact CD1-CB 4.37Å; Y115-P366 HydrophobicContact CD2-CB 4.22Å; Y115-P366 HydrophobicContact CE1-CB 4.03Å; Y115-P366 HydrophobicContact CE1-CG 4.36Å; Y115-P366 HydrophobicContact CE2-CB 3.86Å; Y115-P366 HydrophobicContact CE2-CG 4.3Å; Y115-P366 HydrophobicContact CG-CB 4.46Å; Y115-P366 WeakPolarHBondContact OH-CD 3.33Å; A168-P366 HydrophobicContact CB-CB 4.26Å; P366-T368 HydrophobicContact CB-CG2 4.22Å; P366-T368 HydrophobicContact CG-CG2 3.95Å; P366-T368 PolarHBondContact O-N 3.12Å; P366-T368 PolarHBondContact O-OG1 3.08Å
367I81.4Confident68.2Low85 Ų8586 Ų8644%0.43650%0.5SS..SBendtrans-67.4101.4174.8-59171.3000107.8F112 A114 F370F112-I367 HydrophobicContact CE1-CB 4.16Å; F112-I367 HydrophobicContact CE1-CG2 4.31Å; F112-I367 HydrophobicContact CZ-CB 3.97Å; F112-I367 HydrophobicContact CZ-CD1 4.25Å; F112-I367 HydrophobicContact CZ-CG2 4.12Å; A114-I367 WeakPolarHBondContact O-CG1 3.3Å; A114-I367 PolarHBondContact O-N 2.96Å; I367-F370 HydrophobicContact CG2-CD1 4.44Å; I367-F370 HydrophobicContact CG2-CE1 3.9Å; I367-F370 VanDerWaalsContact O-CZ 3.23Å; I367-F370 WeakPolarHBondContact O-CZ 3.32Å
368T70.6Confident65Low89 Ų8990.9 Ų90.955%0.54654%0.535SS..  trans-123.2-20.9-179.754.70000113P366 F370P366-T368 HydrophobicContact CB-CG2 4.22Å; P366-T368 HydrophobicContact CG-CG2 3.95Å; P366-T368 PolarHBondContact O-N 3.12Å; P366-T368 PolarHBondContact O-OG1 3.08Å; T368-F370 WeakPolarHBondContact O-CD2 3.36Å; T368-F370 WeakPolarHBondContact O-CE2 3.46Å; T368-F370 PolarHBondContact O-N 3.09Å
369C52.5Low62Low108 Ų10895.8 Ų95.873%0.7356%0.564SS**  trans-85.298.8173.6-83.30000110
370F61.3Low59.2Low66 Ų6696.7 Ų96.729%0.28958%0.582SS.*  trans-100.662.7174.3-50.2-72.4000108.6L50 H59 F112 I367 T368 S372L50-F370 HydrophobicContact CD1-CE1 4.07Å; L50-F370 HydrophobicContact CD2-CD1 3.56Å; L50-F370 HydrophobicContact CD2-CE1 3.66Å; H59-F370 HydrophobicContact CB-CE1 4.45Å; H59-F370 HydrophobicContact CB-CZ 4.19Å; H59-F370 AromaticContact CD2-CD1 3.77Å; H59-F370 AromaticContact CD2-CG 3.75Å; H59-F370 AromaticContact CE1-CD2 3.15Å; H59-F370 WeakPolarHBondContact CE1-CD2 3.25Å; H59-F370 AromaticContact CE1-CE2 3.74Å; H59-F370 AromaticContact CE1-CG 3.37Å; H59-F370 WeakPolarHBondContact CE1-CG 3.23Å; H59-F370 AromaticContact CG-CD2 3.96Å; H59-F370 AromaticContact CG-CE2 3.86Å; H59-F370 AromaticContact CG-CZ 3.87Å; H59-F370 AromaticContact ND1-CD2 3.38Å; H59-F370 WeakPolarHBondContact ND1-CD2 3.42Å; H59-F370 AromaticContact ND1-CE2 3.43Å; H59-F370 WeakPolarHBondContact ND1-CE2 3.18Å; H59-F370 AromaticContact ND1-CG 3.85Å; H59-F370 AromaticContact ND1-CZ 3.94Å; H59-F370 WeakPolarHBondContact NE2-CB 3.15Å; H59-F370 AromaticContact NE2-CD1 3.79Å; H59-F370 AromaticContact NE2-CD2 3.63Å; H59-F370 AromaticContact NE2-CG 3.3Å; H59-F370 VanDerWaalsContact NE2-CG 3.3Å; H59-F370 WeakPolarHBondContact NE2-CG 3.13Å; F112-F370 HydrophobicContact CD1-CE1 4.27Å; F112-F370 HydrophobicContact CD1-CZ 4.08Å; F112-F370 AromaticContact CE1-CE1 3.75Å; F112-F370 HydrophobicContact CE1-CE1 3.75Å; F112-F370 AromaticContact CE1-CZ 3.78Å; F112-F370 HydrophobicContact CE1-CZ 3.78Å; F112-F370 HydrophobicContact CZ-CE1 4.43Å; I367-F370 HydrophobicContact CG2-CD1 4.44Å; I367-F370 HydrophobicContact CG2-CE1 3.9Å; I367-F370 VanDerWaalsContact O-CZ 3.23Å; I367-F370 WeakPolarHBondContact O-CZ 3.32Å; T368-F370 WeakPolarHBondContact O-CD2 3.36Å; T368-F370 WeakPolarHBondContact O-CE2 3.46Å; T368-F370 PolarHBondContact O-N 3.09Å; F370-S372 PolarHBondContact O-N 2.97Å
371E40.3Very low56.2Low174 Ų17497.1 Ų97.181%0.81360%0.598SS**  trans-66.6125.6173.9-74.8-173170.700108.7S373E371-S373 VanDerWaalsContact C-N 3.29Å; E371-S373 PolarHBondContact O-N 3.36Å
372S36.9Very low53.3Low108 Ų108104.7 Ų104.776%0.75564%0.638SS**  trans-63.490.2168.749.10000108.5F370 G374F370-S372 PolarHBondContact O-N 2.97Å; S372-G374 VanDerWaalsContact C-N 3.29Å; S372-G374 PolarHBondContact O-N 3.19Å
373S34Very low50.6Low108 Ų108103 Ų10376%0.75565%0.647SS**  trans-64.7101.915446.20000106.4E371E371-S373 VanDerWaalsContact C-N 3.29Å; E371-S373 PolarHBondContact O-N 3.36Å
374G32.1Very low48.2Very low51 Ų51102.7 Ų102.753%0.52665%0.648SS.*  trans-54.3155.5169.700000110.5S372 Q376S372-G374 VanDerWaalsContact C-N 3.29Å; S372-G374 PolarHBondContact O-N 3.19Å; G374-Q376 PolarHBondContact O-N 3.22Å
375P42.9Very low45.4Very low132 Ų132109.3 Ų109.386%0.85768%0.682SS**SBendtrans-74.5100.717629.4-28.9000108.7
376Q35.9Very low42.9Very low172 Ų172113.2 Ų113.280%0.80469%0.69SS**  trans164.6131.2158.6-95.3173.75.500107.5G374G374-Q376 PolarHBondContact O-N 3.22Å
377D29.7Very low40.6Very low140 Ų140118 Ų11875%0.74972%0.724SS**  cis-156.3138.130.2-87.3-45.9000111.6
378S27.4Very low38.8Very low103 Ų103117 Ų11772%0.7273%0.734SS**  167.170126.947.30000111.2
379V30.4Very low36.9Very low135 Ų135121 Ų12182%0.81875%0.751SS**  trans-120.356.9147.6-169.10000107.6G381V379-G381 VanDerWaalsContact C-N 3.28Å; V379-G381 PolarHBondContact O-N 2.89Å
380S37Very low36.2Very low121 Ų121121.1 Ų121.185%0.84675%0.754SS**  trans-87.377.4158.744.50000107.6
381G32.8Very low35.3Very low58 Ų58125.4 Ų125.460%0.59877%0.774SS**SBendtrans169.949.9178.800000114.2V379V379-G381 VanDerWaalsContact C-N 3.28Å; V379-G381 PolarHBondContact O-N 2.89Å
382L33.4Very low35Very low160 Ų160124.9 Ų124.984%0.83878%0.776SS**SBendtrans-172.841.3156.9-102153.3000111.9
383A34.2Very low35Very low105 Ų105127.7 Ų127.787%0.86878%0.777SS**SBendtrans-126.262.2168.200000109.6
384S37.1Very low35.4Very low101 Ų101129 Ų12971%0.70678%0.781SS**SBendtrans-167.3126.3158.8-156.50000107
385L29.6Very low35.6Very low155 Ų155133.3 Ų133.381%0.81279%0.791SS**SBendtrans80.6111.4-168.9-56.3134.3000112.1
386E34.6Very low35.3Very low177 Ų177134.5 Ų134.583%0.82779%0.791SS**  cis-146.4121.320.2-96.3167.8143.600110.7G388E386-G388 PolarHBondContact O-N 3.1Å
387S39.3Very low36.2Very low131 Ų131137 Ų13792%0.91679%0.793SS**  trans-64113.4147.652.90000108.8
388G42.6Very low36.6Very low62 Ų62138.2 Ų138.264%0.63980%0.799SS**  trans157.476.917200000111.5E386E386-G388 PolarHBondContact O-N 3.1Å
389L31.3Very low37.4Very low173 Ų173146.1 Ų146.191%0.90682%0.821SS**  trans178.259.3142.9-90.9171.4000108.8
390S37.4Very low37.7Very low112 Ų112146.7 Ų146.778%0.78382%0.821SS**  trans-84.893.7151.555.80000107.1
391H43.4Very low37.8Very low156 Ų156148.1 Ų148.172%0.72282%0.82SS**  trans175.5100.2148.2-104.8-72000107.6
392L33.2Very low38.1Very low163 Ų163153.1 Ų153.185%0.85383%0.832SS**  -174.196.1124.8-92.5160.4000105.7V394L392-V394 PolarHBondContact O-N 3.36Å
393E36.6Very low38.3Very low167 Ų167152.6 Ų152.678%0.7883%0.832SS**  trans-47.3119.3159.3-69.4162.6148.400107.6
394V42.9Very low38.6Very low136 Ų136155.6 Ų155.682%0.82483%0.83SS**  trans-85.9111.4161.3179.60000104.3L392 D396L392-V394 PolarHBondContact O-N 3.36Å; V394-D396 PolarHBondContact O-N 3.02Å
395D35.9Very low38.7Very low141 Ų141159.3 Ų159.375%0.75484%0.838SS**  trans-44.8112.9174.2-71.1-50.9000109.8
396D37.1Very low39.3Very low157 Ų157159.6 Ų159.684%0.8484%0.84SS**  trans-65.4132.8166.1-133.2-6000106.9V394 D398V394-D396 PolarHBondContact O-N 3.02Å; D396-D398 PolarHBondContact O-N 3.04Å
397W53.9Low39.7Very low224 Ų224158.2 Ų158.285%0.84884%0.841SS**  trans-67.6117.3-174.3-65.988.3000110.5F399W397-F399 PolarHBondContact O-N 3.2Å; W397-F399 VanDerWaalsContact O-N 3.14Å
398D37.8Very low39.8Very low165 Ų165160.5 Ų160.588%0.88284%0.835SS**  trans-63.2107169.8-101.8-19.4000110.5D396D396-D398 PolarHBondContact O-N 3.04Å
399F44.9Very low39.5Very low270 Ų270169.5 Ų169.5100%1.18485%0.853SS**  trans-136.20157.2-79.8-67.4000111.6W397W397-F399 PolarHBondContact O-N 3.2Å; W397-F399 VanDerWaalsContact O-N 3.14Å

Retrieved 399 of 399 residues in 845.4 ms (Link to these results)

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