A0A5K4F516_SCHMA Loading...

C2H2-type domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F516, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 471 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M35.6Very low30.2Very low241 Ų241147.5 Ų147.5100%1.18782%0.817SS**  0119.20-74.5173.2152.700107.2N3M1-N3 PolarHBondContact O-N 3.09Å
2T32.3Very low29.8Very low142 Ų142146.7 Ų146.787%0.87181%0.808SS**  trans-66.8112.8-171.810.60000110.5I4T2-I4 PolarHBondContact O-N 3.39Å; T2-I4 VanDerWaalsContact O-N 3.17Å
3N25.1Very low29.6Very low163 Ų163147.5 Ų147.587%0.87281%0.809SS**  trans-65.4104.6170.7-96.8-36.6000109.4M1 S5M1-N3 PolarHBondContact O-N 3.09Å; N3-S5 VanDerWaalsContact C-N 3.35Å; N3-S5 PolarHBondContact O-N 3.48Å
4I33.5Very low29.4Very low149 Ų149145.1 Ų145.176%0.76480%0.801SS**  trans-84.390.1163.9-59.9172.8000105.8T2 T6T2-I4 PolarHBondContact O-N 3.39Å; T2-I4 VanDerWaalsContact O-N 3.17Å; I4-T6 PolarHBondContact O-N 2.94Å; I4-T6 VanDerWaalsContact O-N 3.08Å
5S29Very low29.5Very low105 Ų105144.5 Ų144.573%0.73481%0.811SS**  trans-68.8100.7170.4-174.70000108N3 R7N3-S5 VanDerWaalsContact C-N 3.35Å; N3-S5 PolarHBondContact O-N 3.48Å; S5-R7 PolarHBondContact O-N 2.91Å
6T31.7Very low29.4Very low128 Ų128138.6 Ų138.679%0.78579%0.793SS**  trans-66.784.4166.745.70000108I4 S8I4-T6 PolarHBondContact O-N 2.94Å; I4-T6 VanDerWaalsContact O-N 3.08Å; T6-S8 PolarHBondContact O-N 2.81Å
7R28.9Very low29.6Very low235 Ų235138.2 Ų138.289%0.88779%0.794SS**  trans-65.598.7170-158.8179-173.6-165.51.4106.5S5 G9S5-R7 PolarHBondContact O-N 2.91Å; R7-G9 VanDerWaalsContact C-N 3.31Å; R7-G9 PolarHBondContact O-N 3.05Å
8S30.9Very low29.8Very low110 Ų110136.7 Ų136.777%0.76979%0.793SS**  trans-59.197.8170.560.20000107.4T6 S10T6-S8 PolarHBondContact O-N 2.81Å; S8-S10 VanDerWaalsContact C-N 3.27Å; S8-S10 PolarHBondContact O-N 3.5Å
9G28.6Very low30.3Very low55 Ų55136.7 Ų136.757%0.56779%0.788SS**  trans-64.795169.400000107.4R7 F11R7-G9 VanDerWaalsContact C-N 3.31Å; R7-G9 PolarHBondContact O-N 3.05Å; G9-F11 VanDerWaalsContact C-N 3.35Å; G9-F11 WeakPolarHBondContact O-CD2 3.38Å; G9-F11 PolarHBondContact O-N 2.71Å
10S26.5Very low30.5Very low99 Ų99136 Ų13669%0.69279%0.786SS**  trans-55.4103.6160.246.40000106.8S8 I12S8-S10 VanDerWaalsContact C-N 3.27Å; S8-S10 PolarHBondContact O-N 3.5Å; S10-I12 PolarHBondContact O-N 2.93Å
11F29.8Very low30.7Very low195 Ų195132.2 Ų132.286%0.85577%0.766SS**  trans-62.794.9165.6-76.5-92000106.4G9 L13G9-F11 VanDerWaalsContact C-N 3.35Å; G9-F11 WeakPolarHBondContact O-CD2 3.38Å; G9-F11 PolarHBondContact O-N 2.71Å; F11-L13 PolarHBondContact O-N 3.21Å
12I25.9Very low31.4Very low138 Ų138125.8 Ų125.871%0.70873%0.728SS**  trans-64.895.6161.8-61.3174.2000104S10 T14S10-I12 PolarHBondContact O-N 2.93Å; I12-T14 HydrophobicContact CG2-CG2 4.16Å; I12-T14 PolarHBondContact O-N 3Å
13L27.6Very low31.9Very low157 Ų157123.8 Ų123.882%0.82272%0.718SS**  trans-63.887.8163.8-78160.3000105.9F11 S15F11-L13 PolarHBondContact O-N 3.21Å; L13-S15 PolarHBondContact O-N 3.13Å
14T26.2Very low32.7Very low115 Ų115121 Ų12171%0.70670%0.7SS**  trans-57.7122.8165.138.10000107I12 G16I12-T14 HydrophobicContact CG2-CG2 4.16Å; I12-T14 PolarHBondContact O-N 3Å; T14-G16 PolarHBondContact O-N 3.47Å
15S30.9Very low33Very low136 Ų136117.3 Ų117.395%0.95168%0.677SS**SBendtrans-61.877.6177.9-34.20000110.1L13L13-S15 PolarHBondContact O-N 3.13Å
16G27.5Very low33.6Very low50 Ų50116.3 Ų116.352%0.51566%0.663SS.*SBendtrans-160.5111.1-175.100000109.6T14T14-G16 PolarHBondContact O-N 3.47Å
17T33.5Very low33.9Very low131 Ų131117.7 Ų117.780%0.80466%0.66SS**  trans55.781.2168.459.20000115.4I19T17-I19 PolarHBondContact O-N 2.78Å
18S32.7Very low34.3Very low111 Ų111115.6 Ų115.678%0.77665%0.654SS**  trans-60.3109.3151.944.60000107.8V20S18-V20 PolarHBondContact O-N 3.3Å
19I39.7Very low34.7Very low137 Ų137118.5 Ų118.570%0.70365%0.649SS**  trans-67104.9168.8-61.2168.4000104.8T17 P21T17-I19 PolarHBondContact O-N 2.78Å; I19-P21 WeakPolarHBondContact O-CD 3.35Å
20V34.2Very low34.9Very low123 Ų123122.7 Ų122.775%0.74565%0.652SS**  trans-86.299.2167.3-179.60000105.9S18S18-V20 PolarHBondContact O-N 3.3Å
21P34.8Very low35Very low57 Ų57123.6 Ų123.637%0.3765%0.649SS.*  trans-67.4142.4174.529-34.2000109.4I19 Y29I19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-Y29 HydrophobicContact CB-CE2 4.43Å
22R50.8Low35.2Very low105 Ų105121.6 Ų121.640%0.39665%0.646SS.*  trans-69.6153.1179.4-54.2-174.5170175-4.3111.2E24 Y25R22-E24 VanDerWaalsContact CB-CD 3.48Å; R22-E24 HydrophobicContact CB-CG 4.34Å; R22-E24 WeakPolarHBondContact CB-OE2 3.38Å; R22-E24 WeakPolarHBondContact CD-OE1 3.31Å; R22-E24 IonicContact NH1-OE1 3.25Å; R22-E24 PolarHBondContact NH1-OE1 3.04Å; R22-E24 PolarHBondContact O-N 3.41Å; R22-E24 VanDerWaalsContact O-N 3.16Å; R22-Y25 HydrophobicContact CB-CD2 3.89Å; R22-Y25 HydrophobicContact CB-CE2 4.26Å; R22-Y25 HydrophobicContact CG-CD2 4.43Å; R22-Y25 HydrophobicContact CG-CE2 4.47Å; R22-Y25 PolarHBondContact O-N 3.08Å
23P42.6Very low35.3Very low101 Ų101120.8 Ų120.866%0.65665%0.653SS**Hα-helixtrans-52.6-38.6-178.8-24.533.1000113.3Y25 L26P23-Y25 PolarHBondContact O-N 3.27Å; P23-Y25 VanDerWaalsContact O-N 3.13Å; P23-L26 WeakPolarHBondContact O-CB 3.41Å; P23-L26 PolarHBondContact O-N 3Å; P23-L26 VanDerWaalsContact O-N 3.12Å
24E41Very low35.4Very low105 Ų105117.4 Ų117.449%0.49165%0.648SS.*Hα-helixtrans-66.7-13.8-179.765.1-94.1-153.400114.7R22R22-E24 VanDerWaalsContact CB-CD 3.48Å; R22-E24 HydrophobicContact CB-CG 4.34Å; R22-E24 WeakPolarHBondContact CB-OE2 3.38Å; R22-E24 WeakPolarHBondContact CD-OE1 3.31Å; R22-E24 IonicContact NH1-OE1 3.25Å; R22-E24 PolarHBondContact NH1-OE1 3.04Å; R22-E24 PolarHBondContact O-N 3.41Å; R22-E24 VanDerWaalsContact O-N 3.16Å
25Y41Very low35.5Very low70 Ų70117.8 Ų117.828%0.27565%0.652SS.*Hα-helixtrans-100.8-8.3175.9-61.5-72.6000113.2R22 P23 E27 Y28 Y29 P55R22-Y25 HydrophobicContact CB-CD2 3.89Å; R22-Y25 HydrophobicContact CB-CE2 4.26Å; R22-Y25 HydrophobicContact CG-CD2 4.43Å; R22-Y25 HydrophobicContact CG-CE2 4.47Å; R22-Y25 PolarHBondContact O-N 3.08Å; P23-Y25 PolarHBondContact O-N 3.27Å; P23-Y25 VanDerWaalsContact O-N 3.13Å; Y25-E27 PolarHBondContact O-N 3.36Å; Y25-Y28 PolarHBondContact O-N 3.09Å; Y25-Y28 VanDerWaalsContact O-N 3.08Å; Y25-Y29 VanDerWaalsContact O-CD2 3.31Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.48Å; Y25-Y29 PolarHBondContact O-N 3.08Å; Y25-P55 HydrophobicContact CE1-CG 4.18Å; Y25-P55 WeakPolarHBondContact OH-CD 3.16Å; Y25-P55 VanDerWaalsContact OH-CG 3.24Å; Y25-P55 WeakPolarHBondContact OH-CG 3.42Å
26L41.7Very low35.2Very low84 Ų84116.9 Ų116.944%0.4465%0.646SS.*Hα-helixtrans-60.1-37177.6-80166.1000111.2P23 Y28 Y29 F30P23-L26 WeakPolarHBondContact O-CB 3.41Å; P23-L26 PolarHBondContact O-N 3Å; P23-L26 VanDerWaalsContact O-N 3.12Å; L26-Y28 PolarHBondContact O-N 2.97Å; L26-Y29 PolarHBondContact O-N 2.99Å; L26-F30 HydrophobicContact CD2-CD2 4.46Å; L26-F30 HydrophobicContact CD2-CE2 4.06Å; L26-F30 WeakPolarHBondContact O-CD2 3.41Å; L26-F30 PolarHBondContact O-N 3.34Å
27E37.2Very low35.3Very low158 Ų158119.2 Ų119.274%0.73866%0.66SS**Hα-helixtrans-60.9-31.3176.3-70.4-164.7161.500113.2Y25 N31Y25-E27 PolarHBondContact O-N 3.36Å; E27-N31 PolarHBondContact O-ND2 3.13Å
28Y37.8Very low34.9Very low190 Ų190121.6 Ų121.675%0.74566%0.662SS**Hα-helixtrans-79.2-28.4180-112.9-85.6000113.2Y25 L26Y25-Y28 PolarHBondContact O-N 3.09Å; Y25-Y28 VanDerWaalsContact O-N 3.08Å; L26-Y28 PolarHBondContact O-N 2.97Å
29Y38Very low34.5Very low172 Ų172127.2 Ų127.268%0.67567%0.666SS**Hα-helixtrans-77.8-24.7177.6-79.6-78.9000112.9P21 Y25 L26P21-Y29 HydrophobicContact CB-CE2 4.43Å; Y25-Y29 VanDerWaalsContact O-CD2 3.31Å; Y25-Y29 WeakPolarHBondContact O-CD2 3.48Å; Y25-Y29 PolarHBondContact O-N 3.08Å; L26-Y29 PolarHBondContact O-N 2.99Å
30F33.8Very low34Very low142 Ų142126.9 Ų126.962%0.62367%0.67SS**  trans-105.212.8-174.7-74.2-76.2000115.3L26 L32L26-F30 HydrophobicContact CD2-CD2 4.46Å; L26-F30 HydrophobicContact CD2-CE2 4.06Å; L26-F30 WeakPolarHBondContact O-CD2 3.41Å; L26-F30 PolarHBondContact O-N 3.34Å; F30-L32 HydrophobicContact CD1-CD1 4.31Å; F30-L32 PolarHBondContact O-N 2.97Å
31N28.5Very low33.8Very low119 Ų119130.9 Ų130.964%0.63668%0.681SS**  trans-73.272.9167.4-78.8-34000111.3E27 S33E27-N31 PolarHBondContact O-ND2 3.13Å; N31-S33 PolarHBondContact O-N 3.28Å
32L33.5Very low33.4Very low152 Ų152131.1 Ų131.180%0.79669%0.688SS**  trans-73.212.1171-88.1127.9000113.7F30F30-L32 HydrophobicContact CD1-CD1 4.31Å; F30-L32 PolarHBondContact O-N 2.97Å
33S28.5Very low32.3Very low122 Ų122134.7 Ų134.785%0.85371%0.706SS**  trans-116.464.4-177.4-62.40000112.1N31N31-S33 PolarHBondContact O-N 3.28Å
34A29.2Very low32Very low86 Ų86138.4 Ų138.471%0.71172%0.72SS**SBendtrans-145.2129.1155.600000110
35P28.5Very low31.5Very low122 Ų122137.2 Ų137.279%0.79272%0.723SS**  trans-77.5131.1-164.5-6.423.8000112.2A37P35-A37 PolarHBondContact O-N 3.28Å
36S25.2Very low31.1Very low117 Ų117142 Ų14282%0.81875%0.754SS**  trans25.279.6149.166.10000117.4
37A28.8Very low30.7Very low99 Ų99146.7 Ų146.782%0.81877%0.77SS**  trans-102.6101.8153.200000108.4P35P35-A37 PolarHBondContact O-N 3.28Å
38H25.9Very low30.5Very low182 Ų182148.5 Ų148.584%0.84378%0.779SS**  trans-50137.5170.2-89.8-50000112.1
39R25Very low30.6Very low228 Ų228144.9 Ų144.986%0.8678%0.776SS**  trans57.7103.6155.3-68.3-177.3179.5-179.20.7116.2
40T27.6Very low30.5Very low130 Ų130141.2 Ų141.280%0.79877%0.769SS**  -153.685.1115.2-50.90000108.2A42T40-A42 HydrophobicContact CG2-CB 4.08Å; T40-A42 PolarHBondContact O-N 3.22Å; T40-A42 VanDerWaalsContact O-N 3.13Å
41Q29.7Very low31Very low207 Ų207139.4 Ų139.497%0.96777%0.769SS**  trans-82.576.1167.5-157.117230.500106.7
42A27.6Very low31.7Very low62 Ų62140.4 Ų140.451%0.51277%0.774SS.*  trans-153.9122.8174.100000109.8T40T40-A42 HydrophobicContact CG2-CB 4.08Å; T40-A42 PolarHBondContact O-N 3.22Å; T40-A42 VanDerWaalsContact O-N 3.13Å
43F28.3Very low31.9Very low180 Ų180138.8 Ų138.879%0.78977%0.767SS**  trans73.265.1167.5-69.3-86.6000118.3S45F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 WeakPolarHBondContact CD1-OG 3.47Å
44L35.1Very low32.3Very low179 Ų179136 Ų13694%0.93775%0.751SS**  trans-91.682.5130.8-70.6173.4000106.6
45S31.5Very low32.8Very low81 Ų81135.1 Ų135.157%0.56674%0.738SS**  trans-56.9143.8164.9-79.70000109F43 K47F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 WeakPolarHBondContact CD1-OG 3.47Å; S45-K47 PolarHBondContact O-N 3.38Å
46D32.4Very low32.9Very low170 Ų170135.6 Ų135.691%0.90974%0.738SS**  trans-47.761.8173.7-59.8-52000114.3E48D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 2.85Å; D46-E48 VanDerWaalsContact O-N 3.09Å
47K31.9Very low33.3Very low182 Ų182138.2 Ų138.279%0.79174%0.735SS**  trans-74.697.1157-92-175.6174-178.60104.9S45 V49S45-K47 PolarHBondContact O-N 3.38Å; K47-V49 VanDerWaalsContact O-CG2 3.27Å; K47-V49 WeakPolarHBondContact O-CG2 3.35Å; K47-V49 PolarHBondContact O-N 3.28Å
48E34.3Very low33.3Very low197 Ų197139.1 Ų139.192%0.92174%0.735SS**  trans-46.292.5160.1-143.6172.7-17500107.8D46 N50D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 2.85Å; D46-E48 VanDerWaalsContact O-N 3.09Å; E48-N50 PolarHBondContact O-N 3.13Å
49V38.6Very low33.5Very low113 Ų113137.8 Ų137.869%0.68573%0.733SS**  trans-75.398-179-179.80000105.8K47 T51K47-V49 VanDerWaalsContact O-CG2 3.27Å; K47-V49 WeakPolarHBondContact O-CG2 3.35Å; K47-V49 PolarHBondContact O-N 3.28Å; V49-T51 PolarHBondContact O-N 2.89Å
50N36.3Very low33.6Very low96 Ų96136.3 Ų136.351%0.51374%0.736SS.*  trans-62.4101.1171179.3-1.7000109.1E48 N52 N53E48-N50 PolarHBondContact O-N 3.13Å; N50-N52 PolarHBondContact O-N 3.23Å; N50-N52 WeakPolarHBondContact OD1-CB 3.43Å; N50-N52 PolarHBondContact OD1-N 3.21Å; N50-N52 VanDerWaalsContact OD1-N 3.09Å; N50-N53 PolarHBondContact O-N 2.85Å
51T45.6Very low33.7Very low103 Ų103140.6 Ų140.663%0.63274%0.737SS**THydrogen-bonded Turntrans-72.8-1.1-177.951.90000114.2V49 N53V49-T51 PolarHBondContact O-N 2.89Å; T51-N53 VanDerWaalsContact C-N 3.29Å
52N42Very low33.7Very low140 Ų140139.8 Ų139.875%0.74973%0.731SS**THydrogen-bonded Turntrans-79.5-13173.6-67.1-40.8000113.3N50N50-N52 PolarHBondContact O-N 3.23Å; N50-N52 WeakPolarHBondContact OD1-CB 3.43Å; N50-N52 PolarHBondContact OD1-N 3.21Å; N50-N52 VanDerWaalsContact OD1-N 3.09Å
53N38Very low33.6Very low118 Ų118141.3 Ų141.363%0.63174%0.737SS**SBendtrans-115.9126173.3-67.625.1000107.8N50 T51N50-N53 PolarHBondContact O-N 2.85Å; T51-N53 VanDerWaalsContact C-N 3.29Å
54A36.3Very low33.6Very low65 Ų65141.9 Ų141.954%0.53774%0.742SS.*  trans-47.9142.5176.500000111.2V56A54-V56 PolarHBondContact O-N 3.16Å; A54-V56 VanDerWaalsContact O-N 3.09Å
55P40.2Very low33.1Very low67 Ų67139 Ų13944%0.43574%0.737SS.*  trans-59.2119.3-176.522.6-31.6000110.3Y25 F57Y25-P55 HydrophobicContact CE1-CG 4.18Å; Y25-P55 WeakPolarHBondContact OH-CD 3.16Å; Y25-P55 VanDerWaalsContact OH-CG 3.24Å; Y25-P55 WeakPolarHBondContact OH-CG 3.42Å; P55-F57 PolarHBondContact O-N 3.04Å; P55-F57 VanDerWaalsContact O-N 3.14Å
56V31.6Very low32.9Very low131 Ų131140.4 Ų140.479%0.79475%0.747SS**  trans-73.7104.1169.9-179.40000106.8A54 C58A54-V56 PolarHBondContact O-N 3.16Å; A54-V56 VanDerWaalsContact O-N 3.09Å; V56-C58 PolarHBondContact O-N 2.91Å
57F33.7Very low32.7Very low172 Ų172143.3 Ų143.375%0.75475%0.745SS**  trans-59107.9167.2-67.2-87.2000108.6P55 L59P55-F57 PolarHBondContact O-N 3.04Å; P55-F57 VanDerWaalsContact O-N 3.14Å; F57-L59 VanDerWaalsContact C-N 3.34Å; F57-L59 PolarHBondContact O-N 3.4Å
58C28.3Very low32.6Very low119 Ų119143.2 Ų143.280%0.80475%0.752SS**  trans-67.698.1165-750000107.1V56 E60V56-C58 PolarHBondContact O-N 2.91Å; C58-E60 PolarHBondContact O-N 3.35Å
59L29.6Very low32.3Very low154 Ų154138.9 Ų138.981%0.80674%0.743SS**  trans-59114.2166.4-153.384.8000106.5F57 R61F57-L59 VanDerWaalsContact C-N 3.34Å; F57-L59 PolarHBondContact O-N 3.4Å; L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.03Å
60E26.3Very low31.9Very low196 Ų196139.3 Ų139.392%0.91675%0.749SS**  trans-6084.2-175.6-163.9-178.5-153.800110.1C58C58-E60 PolarHBondContact O-N 3.35Å
61R30.4Very low31.4Very low221 Ų221141.7 Ų141.783%0.83476%0.757SS**  trans-98.8100.5169.2-154.3-175.1-67.7156-2.5107L59 S63L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.03Å; R61-S63 PolarHBondContact O-N 2.76Å
62K29.1Very low30.5Very low190 Ų190142.8 Ų142.883%0.82677%0.768SS**  trans-1102.3161.4-87.4159.8170.4168.90114.1
63S25.6Very low29.8Very low93 Ų93143.9 Ų143.965%0.6577%0.766SS**  trans25.3106.913755.90000117.5R61R61-S63 PolarHBondContact O-N 2.76Å
64H28.5Very low29.1Very low193 Ų193149.7 Ų149.789%0.89478%0.78SS**  -141108.4128.3-76.9-62.7000108.7S66H64-S66 PolarHBondContact O-N 2.79Å
65S24.6Very low28.7Very low118 Ų118153.5 Ų153.583%0.82580%0.796SS**  trans-63116.8168.3169.10000109.3
66S28.7Very low28Very low111 Ų111158.5 Ų158.578%0.77681%0.813SS**  trans-143.599148.861.60000108.2H64H64-S66 PolarHBondContact O-N 2.79Å
67R27.1Very low28.3Very low230 Ų230157.2 Ų157.287%0.86881%0.807SS**  trans-47.2137.4152.2-66.2177.7174.7-156.7-2.7107.5
68L30Very low27.7Very low181 Ų181155.1 Ų155.195%0.94881%0.813SS**  trans-168.9141.5140.5-97.5168.6000110.8
69S28Very low27.8Very low105 Ų105155.1 Ų155.173%0.73481%0.814SS**  trans-59.6158.3-169.5-151.50000115E71S69-E71 PolarHBondContact O-N 3.16Å
70P29.8Very low27.3Very low122 Ų122151.1 Ų151.179%0.79281%0.81SS**  trans-84.1108.4178.532.6-27.4000110.2
71E26.4Very low27.5Very low147 Ų147147.3 Ų147.369%0.68780%0.802SS**  trans-144.198.4159.8-154.7157.3155.600111.1S69 K73S69-E71 PolarHBondContact O-N 3.16Å; E71-K73 PolarHBondContact O-N 3.14Å; E71-K73 VanDerWaalsContact O-N 3.1Å; E71-K73 IonicContact OE1-NZ 2.81Å; E71-K73 PolarHBondContact OE1-NZ 2.8Å
72S26.5Very low27.2Very low125 Ų125142.3 Ų142.387%0.87480%0.801SS**  trans-76.487.3174.2167.70000109.7
73K27.3Very low26.9Very low163 Ų163136.7 Ų136.771%0.70980%0.797SS**  trans-112121.4159-77.7174.7-178.2146.50109.4E71E71-K73 PolarHBondContact O-N 3.14Å; E71-K73 VanDerWaalsContact O-N 3.1Å; E71-K73 IonicContact OE1-NZ 2.81Å; E71-K73 PolarHBondContact OE1-NZ 2.8Å
74R22.9Very low26.8Very low241 Ų241139.9 Ų139.991%0.90981%0.807SS**  trans-55.1126.4176.2-55.8173.2-168.21712.2110.8
75V29Very low26.8Very low145 Ų145142.5 Ų142.588%0.87981%0.809SS**  trans-154.9123.4149.5175.30000109.2
76H24.1Very low26.8Very low171 Ų171144.5 Ų144.579%0.79281%0.809SS**  trans-65.8-178.9163.1-93.4-92.6000111.8
77P39.4Very low26.8Very low104 Ų104146 Ų14668%0.67581%0.814SS**  cis-132.2175-28.933.1-13.5000113.3
78C20.4Very low26.8Very low128 Ų128141.7 Ų141.787%0.86581%0.808SS**  trans27.3115150.9-75.60000120.7
79S29.1Very low26.5Very low120 Ų120136.6 Ų136.684%0.83979%0.788SS**  trans-150.1109.114123.20000109.4
80G19.3Very low26.8Very low69 Ų69139.1 Ų139.171%0.71179%0.793SS**  trans-77.2-176.8144.600000109.2
81P31.7Very low26.7Very low117 Ų117140.3 Ų140.376%0.7679%0.793SS**  cis-138.5-166.218.738-17000114.3
82S23.8Very low27.1Very low115 Ų115142 Ų14280%0.80481%0.806SS**  trans86.4123.8138.360.60000120.4
83G23.3Very low27.4Very low72 Ų72142.6 Ų142.674%0.74280%0.798SS**  trans136.381.8132.300000116.4
84D22.4Very low27.5Very low160 Ų160141 Ų14186%0.85680%0.797SS**  trans-7128.3149-62.2-49.3000118.1
85R28.3Very low28.1Very low248 Ų248137.1 Ų137.194%0.93679%0.793SS**  -160.2115.3128.6-112.8173.3-172.1-160.52112.7
86L26.1Very low28.1Very low160 Ų160137.3 Ų137.384%0.83879%0.788SS**  trans-53.3144.9161.9-69144.9000112.5
87T27.9Very low28.1Very low143 Ų143140 Ų14088%0.87779%0.791SS**  trans154138.8148.841.10000108.1
88N26.1Very low27.6Very low140 Ų140140 Ų14075%0.74979%0.791SS**  cis-166.7148-7.1-173.618.6000105.7
89S25.8Very low27.8Very low73 Ų73145.6 Ų145.651%0.5180%0.795SS.*  trans30.2119.6150.967.40000120.9
90N33.3Very low28Very low159 Ų159146 Ų14685%0.8579%0.792SS**  -177.8121.2102.3-86-20.2000112.1
91N27.4Very low28.3Very low146 Ų146147 Ų14778%0.78179%0.788SS**  trans-64.5137.8169.6-64.6-49000111.5
92L35.2Very low28.2Very low184 Ų184148.3 Ų148.396%0.96379%0.789SS**  trans-142.192.7139.5-92.4175.3000107.4
93L32.9Very low28.2Very low137 Ų137153.2 Ų153.272%0.71779%0.79SS**  trans-89.7128.5-179.1-146.3112.8000109.1
94N28.6Very low28.6Very low129 Ų129155 Ų15569%0.6979%0.789SS**  trans54.497.2146.2-65-12.9000119.9
95I36.3Very low29Very low160 Ų160154.7 Ų154.782%0.82178%0.782SS**  trans-93.6103.7141.7-61.2177000107.1
96L28.2Very low29.4Very low149 Ų149153.4 Ų153.478%0.7878%0.783SS**  trans-67.8127.3177.1-17075000110.2
97W25.8Very low29.5Very low226 Ų226154.7 Ų154.786%0.85679%0.785SS**  trans-124.5142.9155.6-77.889.4000110
98P28.7Very low29.5Very low104 Ų104152 Ų15268%0.67578%0.778SS**  trans-87.9138.6-147.2-9.128.3000113.3
99R23.7Very low29.7Very low247 Ų247151.8 Ų151.893%0.93278%0.781SS**  trans-91.1110.7169.5-175.4-177-169.8171.72.7108.4
100T33.1Very low30.3Very low127 Ų127155.7 Ų155.778%0.77980%0.795SS**  trans-121.4100.8163.252.50000105.2
101S26.2Very low30Very low91 Ų91159.8 Ų159.864%0.63680%0.799SS**  57.9120.472.7-142.60000113.7
102D30Very low30.2Very low144 Ų144159.3 Ų159.377%0.7780%0.796SS**  trans97.292.1151.3-50.8-42.3000121
103R22.1Very low29.9Very low218 Ų218156.2 Ų156.282%0.82379%0.79SS**  trans-37.2143139-160.5-167.7170.4174.6-3.9112
104P32.8Very low29.9Very low111 Ų111155 Ų15572%0.72179%0.793SS**  -139.5150.498.325.6-5.7000115.4
105E29.7Very low30.1Very low153 Ų153154.6 Ų154.672%0.71580%0.798SS**  trans29.2112.1145.4-65.8175.8153.500121.4
106F37.8Very low29.9Very low220 Ų220151.8 Ų151.897%0.96579%0.792SS**  -146.385.5129.6-95-78000108.5
107E27.3Very low30Very low187 Ų187153.2 Ų153.287%0.87480%0.799SS**  trans-78.1117.6151.5-77.2-177.1161.700107.1
108A28.8Very low30.4Very low88 Ų88146.5 Ų146.573%0.72779%0.787SS**  trans158.5138.7133.200000111.4
109V30.8Very low30.7Very low134 Ų134151.2 Ų151.281%0.81280%0.797SS**  trans77.976.1163.7-156.70000116
110L36.7Very low31.4Very low156 Ų156147.4 Ų147.482%0.81780%0.795SS**  trans-156.966130.1-99.7154.6000107.9N112L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 3.18Å
111R28.4Very low31.3Very low245 Ų245146.3 Ų146.393%0.92579%0.792SS**  trans-68.798.3153-90.5-170.5-178.7-175.71.6106
112N31.2Very low31.7Very low135 Ų135148.1 Ų148.172%0.72280%0.799SS**  trans-140.689.3155.5-89.6-16.6000107.9L110 S114L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 3.18Å; N112-S114 PolarHBondContact O-N 2.78Å
113S28.3Very low31.6Very low120 Ų120151 Ų15184%0.83980%0.801SS**  trans18.796.9145.1-48.60000117.3
114S33Very low32.1Very low110 Ų110145.7 Ų145.777%0.76980%0.795SS**  trans-142.9138.4149.3-75.80000107.9N112 S116N112-S114 PolarHBondContact O-N 2.78Å; S114-S116 PolarHBondContact O-N 2.86Å; S114-S116 VanDerWaalsContact O-N 3.14Å
115P32.4Very low32.3Very low122 Ų122146.3 Ų146.379%0.79280%0.801SS**  trans-74.1112.1-155.529.1-33000110.9L117P115-L117 PolarHBondContact O-N 3.25Å; P115-L117 VanDerWaalsContact O-N 3.15Å
116S31.9Very low32.4Very low100 Ų100146.3 Ų146.370%0.69981%0.806SS**  trans-68.7107.216355.20000108.6S114 S118S114-S116 PolarHBondContact O-N 2.86Å; S114-S116 VanDerWaalsContact O-N 3.14Å; S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 3.36Å
117L32.1Very low32.1Very low179 Ų179140.8 Ų140.894%0.93780%0.795SS**  trans-6186.1170.1-77.1157.4000110.3P115P115-L117 PolarHBondContact O-N 3.25Å; P115-L117 VanDerWaalsContact O-N 3.15Å
118S32.9Very low32.4Very low85 Ų85141.3 Ų141.359%0.59479%0.794SS**  trans-129.367.2169.8640000110.3S116S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 3.36Å
119F35.4Very low32.6Very low203 Ų203142.3 Ų142.389%0.8979%0.792SS**  trans-138.464.7163.2-74.6-77.4000109.9
120L37.7Very low32.6Very low168 Ų168144.7 Ų144.788%0.8879%0.794SS**  trans-96.990.6145.9-144.176.1000106.3T122L120-T122 PolarHBondContact O-N 3.45Å
121S32.3Very low32.3Very low103 Ų103142.2 Ų142.272%0.7279%0.789SS**  trans-47.9109.4174.8-175.10000109.6Y123S121-Y123 PolarHBondContact O-N 2.75Å
122T34.5Very low32.4Very low129 Ų129136.5 Ų136.579%0.79179%0.785SS**PPolyproline II helixtrans-75.1118.2167.4-51.60000106.1L120L120-T122 PolarHBondContact O-N 3.45Å
123Y28.1Very low32.3Very low206 Ų206137.4 Ų137.481%0.80879%0.79SS**PPolyproline II helixtrans-48.5130174.9-94.6-97.7000110.5S121 S125S121-Y123 PolarHBondContact O-N 2.75Å; Y123-S125 PolarHBondContact O-N 2.81Å
124P32Very low32.7Very low106 Ų106136.7 Ų136.769%0.68878%0.783SS**PPolyproline II helixtrans-69.5116.1174.627.2-29.3000108.3D126P124-D126 PolarHBondContact O-N 3.37Å
125S37Very low32.6Very low123 Ų123140.7 Ų140.786%0.8679%0.786SS**  trans-74.1110.4163.5-68.20000107.4Y123 S127Y123-S125 PolarHBondContact O-N 2.81Å; S125-S127 PolarHBondContact O-N 2.97Å
126D31.3Very low32.6Very low153 Ų153140.8 Ų140.882%0.81879%0.79SS**  trans-54.6130.9177.2-82.6-40.7000111.8P124P124-D126 PolarHBondContact O-N 3.37Å
127S31.1Very low32.6Very low104 Ų104145.9 Ų145.973%0.72780%0.795SS**  trans-48.9132.8169.250.40000114.2S125S125-S127 PolarHBondContact O-N 2.97Å
128K34.8Very low32.6Very low198 Ų198144.5 Ų144.586%0.86179%0.788SS**  trans-143.490.6141.6-103.7178.9-176.3176.40110.2
129T32.4Very low32.6Very low110 Ų110148.1 Ų148.168%0.67580%0.801SS**  trans41.1106.3130.757.60000118.4
130H32.1Very low32.4Very low184 Ų184143.3 Ų143.385%0.85280%0.798SS**  167.5142.798.4-102.3-73.3000113
131S29.4Very low32.3Very low104 Ų104140 Ų14073%0.72779%0.789SS**  trans82.393.3153.3-145.90000118.3
132C30.5Very low32.2Very low124 Ų124143.8 Ų143.884%0.83880%0.795SS**  trans-62130.4148.5-65.90000109.4
133D30Very low32.1Very low154 Ų154142.3 Ų142.382%0.82479%0.791SS**  trans-139.9105.8153.2-131.6-22.5000108.8
134P35.4Very low32.5Very low105 Ų105140 Ų14068%0.68279%0.79SS**  trans-97.395.9179.833.9-24.5000108.9
135K30.4Very low32.7Very low195 Ų195145 Ų14585%0.84880%0.796SS**  trans177.195.2159.1-99148.1-174.3179.60111.3
136S32.6Very low32.4Very low124 Ų124145.2 Ų145.287%0.86779%0.787SS**  trans-14891.9143.958.60000109.2
137Y32.6Very low33Very low206 Ų206143.6 Ų143.681%0.80879%0.785SS**  trans-61.8144.5158.6-79.1-93.3000109.3
138L32.7Very low33.3Very low151 Ų151144.5 Ų144.579%0.79178%0.782SS**  trans67.987.6155.4-58.8164.5000116.7
139N31.4Very low33.6Very low161 Ų161142 Ų14286%0.86178%0.783SS**  trans-139.592.2134.3-92.7-39.9000109.3S141N139-S141 PolarHBondContact O-N 2.96Å
140A32Very low34.3Very low101 Ų101140.6 Ų140.684%0.83578%0.783SS**  trans-68.597.7159.800000108.3
141S36Very low35.1Very low99 Ų99139.2 Ų139.269%0.69278%0.782SS**  trans-121.686.5163.8-66.70000108.4N139 S143N139-S141 PolarHBondContact O-N 2.96Å; S141-S143 PolarHBondContact O-N 2.79Å
142Q29.7Very low36Very low182 Ų182140.2 Ų140.285%0.8579%0.789SS**  trans25.597.6140.9-68.8175.5-14.200116.1
143S33.7Very low37.1Very low99 Ų99143.4 Ų143.469%0.69279%0.788SS**  trans-13385.4136.2-1650000106.8S141 R145S141-S143 PolarHBondContact O-N 2.79Å; S143-R145 PolarHBondContact O-N 2.5Å
144I36.2Very low38.5Very low156 Ų156138.4 Ų138.480%0.877%0.766SS**  trans-64.480.1154.9-62.3167000104.2
145R35Very low40Very low213 Ų213140.7 Ų140.780%0.80477%0.767SS**  trans-101103169.6-148.7-179.8-168.4-176.73.5104.2S143 P147S143-R145 PolarHBondContact O-N 2.5Å; R145-P147 WeakPolarHBondContact O-CD 3.25Å
146D30.4Very low42Very low126 Ų126134.6 Ų134.667%0.67475%0.753SS**  trans-35.6109.2175.7-67.9-60.2000111N148D146-N148 PolarHBondContact O-N 3.43Å
147P44.3Very low44.2Very low120 Ų120133.9 Ų133.978%0.77974%0.736SS**  trans-82.346.7170.635.8-32.6000108.4R145R145-P147 WeakPolarHBondContact O-CD 3.25Å
148N37.3Very low46.9Very low123 Ų123126.1 Ų126.166%0.65872%0.718SS**  trans-136.359.3-172.8-75.2-35.2000110D146D146-N148 PolarHBondContact O-N 3.43Å
149T41.5Very low49.7Very low144 Ų144123.5 Ų123.588%0.88370%0.702SS**SBendtrans-179.4135.4139.717.70000111.2
150A46.5Very low52.6Low82 Ų82118.4 Ų118.468%0.67868%0.682SS**SBendtrans73.477.7164.800000116.9
151N50.2Low55.4Low155 Ų155115.8 Ų115.883%0.82965%0.653SS**  -17637.7118.9-83.7-18.3000112K153N151-K153 PolarHBondContact O-N 2.87Å; N151-K153 VanDerWaalsContact O-N 3.14Å
152S47.2Very low58.1Low125 Ų125117.7 Ų117.787%0.87465%0.651SS**  trans-77.225159.650.50000111.7S154S152-S154 PolarHBondContact O-N 2.81Å
153K54.9Low61.1Low190 Ų190113.4 Ų113.483%0.82663%0.632SS**  trans-72.685.8175.2-150.2164.9-174.3174.90107.7N151N151-K153 PolarHBondContact O-N 2.87Å; N151-K153 VanDerWaalsContact O-N 3.14Å
154S57.8Low63.9Low50 Ų50113.8 Ų113.835%0.3562%0.619SS.*  trans57.879.3154.358.40000116.5S152 A156 H157 G158S152-S154 PolarHBondContact O-N 2.81Å; S154-A156 PolarHBondContact O-N 3.22Å; S154-H157 VanDerWaalsContact CB-CB 3.49Å; S154-H157 PolarHBondContact O-N 3.08Å; S154-H157 WeakPolarHBondContact OG-CB 3.41Å; S154-G158 PolarHBondContact O-N 3.17Å; S154-G158 VanDerWaalsContact O-N 3.14Å
155H67.3Low66.6Low152 Ų152113.9 Ų113.970%0.70461%0.609SS**Hα-helixtrans-47.5-39.3156.8-177.361.8000111.4H157 G158 Q159H155-H157 PolarHBondContact O-N 3.19Å; H155-G158 PolarHBondContact O-N 3.15Å; H155-Q159 PolarHBondContact NE2-NE2 3.02Å; H155-Q159 WeakPolarHBondContact O-CG 3.48Å; H155-Q159 PolarHBondContact O-N 3Å
156A73.5Confident69.4Low68 Ų68106.5 Ų106.556%0.56259%0.59SS**Hα-helixtrans-60.7-37.317400000114.1S154 Q159 A160S154-A156 PolarHBondContact O-N 3.22Å; A156-Q159 PolarHBondContact O-N 3.06Å; A156-A160 WeakPolarHBondContact O-CB 3.33Å; A156-A160 PolarHBondContact O-N 3.41Å
157H78.8Confident72.4Confident109 Ų109108.5 Ų108.551%0.50559%0.588SS.*Hα-helixtrans-71.9-36176.2-172.367.4000111.4S154 H155 A160 E161S154-H157 VanDerWaalsContact CB-CB 3.49Å; S154-H157 PolarHBondContact O-N 3.08Å; S154-H157 WeakPolarHBondContact OG-CB 3.41Å; H155-H157 PolarHBondContact O-N 3.19Å; H157-A160 PolarHBondContact O-N 3.21Å; H157-E161 WeakPolarHBondContact O-CB 3.44Å; H157-E161 PolarHBondContact O-N 3.3Å
158G89.4Confident74.7Confident42 Ų42106.5 Ų106.543%0.43357%0.568SS.*Hα-helixtrans-61.4-44.1172.400000111.9S154 H155 E161 Q162S154-G158 PolarHBondContact O-N 3.17Å; S154-G158 VanDerWaalsContact O-N 3.14Å; H155-G158 PolarHBondContact O-N 3.15Å; G158-E161 PolarHBondContact O-N 3.28Å; G158-Q162 WeakPolarHBondContact O-CB 3.2Å; G158-Q162 PolarHBondContact O-N 3.36Å
159Q91.5Very high77.3Confident97 Ų97103.6 Ų103.645%0.45356%0.558SS.*Hα-helixtrans-64.5-47.8175.1-71.4-174.3-11.600112.2H155 A156 E161 Q162 I163H155-Q159 PolarHBondContact NE2-NE2 3.02Å; H155-Q159 WeakPolarHBondContact O-CG 3.48Å; H155-Q159 PolarHBondContact O-N 3Å; A156-Q159 PolarHBondContact O-N 3.06Å; Q159-E161 VanDerWaalsContact C-N 3.31Å; Q159-E161 PolarHBondContact O-N 2.88Å; Q159-Q162 PolarHBondContact O-N 3.27Å; Q159-Q162 VanDerWaalsContact O-N 3.16Å; Q159-I163 WeakPolarHBondContact O-CG1 3.29Å; Q159-I163 PolarHBondContact O-N 3.18Å
160A90.7Very high79.7Confident53 Ų53101.7 Ų101.744%0.43854%0.541SS..Hα-helixtrans-60.6-40.4177.300000112A156 H157 I163 R164A156-A160 WeakPolarHBondContact O-CB 3.33Å; A156-A160 PolarHBondContact O-N 3.41Å; H157-A160 PolarHBondContact O-N 3.21Å; A160-I163 PolarHBondContact O-N 3.09Å; A160-R164 WeakPolarHBondContact O-CB 3.45Å; A160-R164 PolarHBondContact O-N 3.41Å
161E92Very high81.9Confident47 Ų47101.3 Ų101.322%0.2253%0.531CS..Hα-helixtrans-65.5-40174.6174.562-17800112.1H157 G158 Q159 R164 R165H157-E161 WeakPolarHBondContact O-CB 3.44Å; H157-E161 PolarHBondContact O-N 3.3Å; G158-E161 PolarHBondContact O-N 3.28Å; Q159-E161 VanDerWaalsContact C-N 3.31Å; Q159-E161 PolarHBondContact O-N 2.88Å; E161-R164 PolarHBondContact O-N 3.05Å; E161-R164 IonicContact OE2-CZ 3.99Å; E161-R164 IonicContact OE2-NE 3.32Å; E161-R164 PolarHBondContact OE2-NE 2.91Å; E161-R164 IonicContact OE2-NH2 3.46Å; E161-R164 PolarHBondContact OE2-NH2 3.37Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.39Å; E161-R165 IonicContact OE1-CZ 2.8Å; E161-R165 VanDerWaalsContact OE1-CZ 3.25Å; E161-R165 IonicContact OE1-NE 2.57Å; E161-R165 PolarHBondContact OE1-NE 3.37Å; E161-R165 IonicContact OE1-NH2 3.57Å; E161-R165 PolarHBondContact OE1-NH2 2.89Å
162Q93.1Very high83.9Confident139 Ų13995.1 Ų95.165%0.6550%0.496SS*.Hα-helixtrans-65.1-43.7176.8-173.4174.39.700111.7G158 Q159 R164 R165 S166G158-Q162 WeakPolarHBondContact O-CB 3.2Å; G158-Q162 PolarHBondContact O-N 3.36Å; Q159-Q162 PolarHBondContact O-N 3.27Å; Q159-Q162 VanDerWaalsContact O-N 3.16Å; Q162-R164 VanDerWaalsContact C-N 3.31Å; Q162-R164 PolarHBondContact O-N 3.5Å; Q162-R165 PolarHBondContact O-N 3.39Å; Q162-S166 PolarHBondContact O-N 3.45Å; Q162-S166 PolarHBondContact O-OG 2.95Å
163I92.5Very high85.9Confident91 Ų9192.6 Ų92.647%0.46748%0.479SS..Hα-helixtrans-62.3-40.3174.8-66.4165.4000110.6Q159 A160 S166 R167Q159-I163 WeakPolarHBondContact O-CG1 3.29Å; Q159-I163 PolarHBondContact O-N 3.18Å; A160-I163 PolarHBondContact O-N 3.09Å; I163-S166 WeakPolarHBondContact CA-OG 3.41Å; I163-S166 PolarHBondContact O-N 2.78Å; I163-S166 PolarHBondContact O-OG 3.32Å; I163-R167 HydrophobicContact CG2-CG 4.48Å; I163-R167 WeakPolarHBondContact O-CB 3.49Å; I163-R167 WeakPolarHBondContact O-CG 3.41Å; I163-R167 PolarHBondContact O-N 2.83Å
164R92.7Very high87.7Confident108 Ų10888.3 Ų88.341%0.40846%0.464SS..Hα-helixtrans-61.8-46.8175.2171.4167.848.9-161.2-11111.8A160 E161 Q162 S166 R167 E168A160-R164 WeakPolarHBondContact O-CB 3.45Å; A160-R164 PolarHBondContact O-N 3.41Å; E161-R164 PolarHBondContact O-N 3.05Å; E161-R164 IonicContact OE2-CZ 3.99Å; E161-R164 IonicContact OE2-NE 3.32Å; E161-R164 PolarHBondContact OE2-NE 2.91Å; E161-R164 IonicContact OE2-NH2 3.46Å; E161-R164 PolarHBondContact OE2-NH2 3.37Å; Q162-R164 VanDerWaalsContact C-N 3.31Å; Q162-R164 PolarHBondContact O-N 3.5Å; R164-S166 VanDerWaalsContact C-N 3.35Å; R164-S166 PolarHBondContact O-N 3.24Å; R164-R167 PolarHBondContact O-N 3.23Å; R164-E168 WeakPolarHBondContact O-CB 3.41Å; R164-E168 PolarHBondContact O-N 3.32Å
165R91.8Very high89.3Confident157 Ų15787.7 Ų87.759%0.59246%0.457SS*.Hα-helixtrans-64.9-37.5177.6-71.7179.3-174.1-132.8-4.2112.5E161 Q162 S169E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.39Å; E161-R165 IonicContact OE1-CZ 2.8Å; E161-R165 VanDerWaalsContact OE1-CZ 3.25Å; E161-R165 IonicContact OE1-NE 2.57Å; E161-R165 PolarHBondContact OE1-NE 3.37Å; E161-R165 IonicContact OE1-NH2 3.57Å; E161-R165 PolarHBondContact OE1-NH2 2.89Å; Q162-R165 PolarHBondContact O-N 3.39Å; R165-S169 WeakPolarHBondContact O-CB 3.08Å; R165-S169 PolarHBondContact O-N 2.94Å
166S93.4Very high90.3Very high59 Ų5982.5 Ų82.541%0.41343%0.434SS..Hα-helixtrans-67.4-45.9177.5690000111.2Q162 I163 R164 E168 S169 I170Q162-S166 PolarHBondContact O-N 3.45Å; Q162-S166 PolarHBondContact O-OG 2.95Å; I163-S166 WeakPolarHBondContact CA-OG 3.41Å; I163-S166 PolarHBondContact O-N 2.78Å; I163-S166 PolarHBondContact O-OG 3.32Å; R164-S166 VanDerWaalsContact C-N 3.35Å; R164-S166 PolarHBondContact O-N 3.24Å; S166-E168 PolarHBondContact O-N 3.47Å; S166-S169 WeakPolarHBondContact O-CB 3.21Å; S166-S169 PolarHBondContact O-N 2.63Å; S166-I170 WeakPolarHBondContact O-CG1 3.46Å; S166-I170 PolarHBondContact O-N 3.23Å
167R95Very high91.1Very high168 Ų16881.8 Ų81.863%0.63443%0.425SS*.Hα-helixtrans-58.2-48.4174-73.8178.6174-171.9-3.4111.8I163 R164 S169 I170 T171I163-R167 HydrophobicContact CG2-CG 4.48Å; I163-R167 WeakPolarHBondContact O-CB 3.49Å; I163-R167 WeakPolarHBondContact O-CG 3.41Å; I163-R167 PolarHBondContact O-N 2.83Å; R164-R167 PolarHBondContact O-N 3.23Å; R167-S169 VanDerWaalsContact C-N 3.31Å; R167-S169 PolarHBondContact O-N 2.77Å; R167-I170 PolarHBondContact O-N 3.3Å; R167-T171 PolarHBondContact O-N 2.94Å; R167-T171 PolarHBondContact O-OG1 3.37Å; R167-T171 VanDerWaalsContact O-OG1 3.09Å
168E92.1Very high91.7Very high77 Ų7782.8 Ų82.836%0.3643%0.43SS..Hα-helixtrans-59.3-42.6176.9-164.2-157.7156.700111.4R164 S166 I170 T171 F172 K209R164-E168 WeakPolarHBondContact O-CB 3.41Å; R164-E168 PolarHBondContact O-N 3.32Å; S166-E168 PolarHBondContact O-N 3.47Å; E168-I170 PolarHBondContact O-N 3.3Å; E168-T171 PolarHBondContact O-N 2.89Å; E168-F172 HydrophobicContact CG-CD2 3.81Å; E168-F172 HydrophobicContact CG-CE2 3.68Å; E168-F172 VanDerWaalsContact O-CD2 3.23Å; E168-F172 WeakPolarHBondContact O-CD2 3.47Å; E168-F172 PolarHBondContact O-N 2.97Å; E168-F172 VanDerWaalsContact OE1-CE2 3.31Å; E168-F172 WeakPolarHBondContact OE1-CE2 3.41Å; E168-K209 IonicContact OE1-NZ 3.88Å; E168-K209 PolarHBondContact OE1-NZ 2.82Å; E168-K209 IonicContact OE2-NZ 3.92Å; E168-K209 PolarHBondContact OE2-NZ 2.8Å
169S90.9Very high91.6Very high63 Ų6381 Ų8144%0.44141%0.41SS..Hα-helixtrans-60.9-44.1176.3-168.30000112R165 S166 R167 F172 S173R165-S169 WeakPolarHBondContact O-CB 3.08Å; R165-S169 PolarHBondContact O-N 2.94Å; S166-S169 WeakPolarHBondContact O-CB 3.21Å; S166-S169 PolarHBondContact O-N 2.63Å; R167-S169 VanDerWaalsContact C-N 3.31Å; R167-S169 PolarHBondContact O-N 2.77Å; S169-F172 PolarHBondContact O-N 3.3Å; S169-S173 WeakPolarHBondContact O-CB 3.32Å; S169-S173 PolarHBondContact O-N 3.4Å; S169-S173 PolarHBondContact O-OG 3.36Å; S169-S173 VanDerWaalsContact O-OG 3.09Å
170I93.2Very high91.4Very high103 Ų10379.6 Ų79.653%0.52841%0.411SS..Hα-helixtrans-61.2-47.5177.2-67.4163.2000110.1S166 R167 E168 F172 S173 L174S166-I170 WeakPolarHBondContact O-CG1 3.46Å; S166-I170 PolarHBondContact O-N 3.23Å; R167-I170 PolarHBondContact O-N 3.3Å; E168-I170 PolarHBondContact O-N 3.3Å; I170-F172 VanDerWaalsContact C-N 3.35Å; I170-F172 PolarHBondContact O-N 3.49Å; I170-S173 PolarHBondContact O-N 2.94Å; I170-L174 HydrophobicContact CG2-CD1 4.17Å; I170-L174 WeakPolarHBondContact O-CG 3.37Å; I170-L174 PolarHBondContact O-N 2.97Å
171T91.7Very high91.3Very high75 Ų7581.8 Ų81.846%0.4642%0.415SS..Hα-helixtrans-59.3-44.4178.1-54.90000111.8R167 E168 L174 I175R167-T171 PolarHBondContact O-N 2.94Å; R167-T171 PolarHBondContact O-OG1 3.37Å; R167-T171 VanDerWaalsContact O-OG1 3.09Å; E168-T171 PolarHBondContact O-N 2.89Å; T171-L174 PolarHBondContact O-N 3.32Å; T171-I175 HydrophobicContact CG2-CD1 4.06Å; T171-I175 VanDerWaalsContact O-CG1 3.31Å; T171-I175 WeakPolarHBondContact O-CG1 3.44Å; T171-I175 PolarHBondContact O-N 3.18Å
172F91.4Very high91Very high24 Ų2483.7 Ų83.711%0.10543%0.431CS..Hα-helixtrans-68.3-35.9177.8-84.4-69.2000113.2E168 S169 I170 L174 I175 D176 K209 L213E168-F172 HydrophobicContact CG-CD2 3.81Å; E168-F172 HydrophobicContact CG-CE2 3.68Å; E168-F172 VanDerWaalsContact O-CD2 3.23Å; E168-F172 WeakPolarHBondContact O-CD2 3.47Å; E168-F172 PolarHBondContact O-N 2.97Å; E168-F172 VanDerWaalsContact OE1-CE2 3.31Å; E168-F172 WeakPolarHBondContact OE1-CE2 3.41Å; S169-F172 PolarHBondContact O-N 3.3Å; I170-F172 VanDerWaalsContact C-N 3.35Å; I170-F172 PolarHBondContact O-N 3.49Å; F172-L174 VanDerWaalsContact C-N 3.32Å; F172-I175 HydrophobicContact CD1-CD1 4.32Å; F172-I175 HydrophobicContact CE1-CD1 4.5Å; F172-I175 PolarHBondContact O-N 3.5Å; F172-D176 WeakPolarHBondContact O-CB 3.3Å; F172-D176 PolarHBondContact O-N 3.47Å; F172-K209 HydrophobicContact CD1-CB 4.03Å; F172-K209 HydrophobicContact CD1-CD 4.49Å; F172-K209 HydrophobicContact CD1-CG 3.8Å; F172-K209 HydrophobicContact CD2-CD 3.65Å; F172-K209 VanDerWaalsContact CD2-CE 3.5Å; F172-K209 HydrophobicContact CD2-CG 3.85Å; F172-K209 HydrophobicContact CE1-CB 3.61Å; F172-K209 HydrophobicContact CE1-CD 4.43Å; F172-K209 HydrophobicContact CE1-CG 3.86Å; F172-K209 HydrophobicContact CE2-CB 4.21Å; F172-K209 HydrophobicContact CE2-CD 3.59Å; F172-K209 HydrophobicContact CE2-CG 3.93Å; F172-K209 HydrophobicContact CG-CB 4.49Å; F172-K209 HydrophobicContact CG-CD 4.13Å; F172-K209 HydrophobicContact CG-CG 3.81Å; F172-K209 HydrophobicContact CZ-CB 3.72Å; F172-K209 HydrophobicContact CZ-CD 4Å; F172-K209 HydrophobicContact CZ-CG 3.93Å; F172-L213 HydrophobicContact CE1-CD1 4.31Å; F172-L213 HydrophobicContact CE1-CD2 4.09Å; F172-L213 HydrophobicContact CE1-CG 3.87Å; F172-L213 HydrophobicContact CZ-CD1 4.02Å; F172-L213 HydrophobicContact CZ-CD2 4.24Å; F172-L213 HydrophobicContact CZ-CG 4.07Å
173S89.7Confident90.6Very high72 Ų7281.5 Ų81.550%0.50343%0.429SS..Hα-helixtrans-61.7-40.9172.6-67.80000111.8S169 I170 D176 S177S169-S173 WeakPolarHBondContact O-CB 3.32Å; S169-S173 PolarHBondContact O-N 3.4Å; S169-S173 PolarHBondContact O-OG 3.36Å; S169-S173 VanDerWaalsContact O-OG 3.09Å; I170-S173 PolarHBondContact O-N 2.94Å; S173-D176 PolarHBondContact O-N 2.83Å; S173-S177 PolarHBondContact O-N 3.46Å; S173-S177 PolarHBondContact O-OG 3.49Å
174L92.7Very high90.3Very high101 Ų10179.3 Ų79.353%0.52942%0.418SS..Hα-helixtrans-65.2-42.9175-71.2170.3000112.4I170 T171 F172 D176 S177 Q178I170-L174 HydrophobicContact CG2-CD1 4.17Å; I170-L174 WeakPolarHBondContact O-CG 3.37Å; I170-L174 PolarHBondContact O-N 2.97Å; T171-L174 PolarHBondContact O-N 3.32Å; F172-L174 VanDerWaalsContact C-N 3.32Å; L174-D176 VanDerWaalsContact C-N 3.34Å; L174-S177 WeakPolarHBondContact CA-OG 3.39Å; L174-S177 PolarHBondContact O-N 3.21Å; L174-S177 PolarHBondContact O-OG 3.12Å; L174-Q178 WeakPolarHBondContact O-CG 3.21Å; L174-Q178 PolarHBondContact O-N 2.97Å
175I90.7Very high90.1Very high36 Ų3676 Ų7619%0.18541%0.408CS..Hα-helixtrans-61.4-46.5174.7-68.1166000109.9T171 F172 S177 Q178 L179 N212 V216T171-I175 HydrophobicContact CG2-CD1 4.06Å; T171-I175 VanDerWaalsContact O-CG1 3.31Å; T171-I175 WeakPolarHBondContact O-CG1 3.44Å; T171-I175 PolarHBondContact O-N 3.18Å; F172-I175 HydrophobicContact CD1-CD1 4.32Å; F172-I175 HydrophobicContact CE1-CD1 4.5Å; F172-I175 PolarHBondContact O-N 3.5Å; I175-S177 VanDerWaalsContact C-N 3.33Å; I175-S177 PolarHBondContact O-N 2.72Å; I175-Q178 PolarHBondContact O-N 3.24Å; I175-L179 HydrophobicContact CG2-CD1 3.79Å; I175-L179 HydrophobicContact CG2-CG 4.17Å; I175-L179 WeakPolarHBondContact O-CB 3.14Å; I175-L179 VanDerWaalsContact O-CG 3.28Å; I175-L179 WeakPolarHBondContact O-CG 3.48Å; I175-L179 PolarHBondContact O-N 2.99Å; I175-N212 HydrophobicContact CG2-CB 4.05Å; I175-V216 HydrophobicContact CG2-CG2 3.68Å
176D89.3Confident89.8Confident44 Ų4474.4 Ų74.424%0.23541%0.407CS..Hα-helixtrans-60.5-41.9178.8-94.2-44.8000112.2F172 S173 L174 S180 R188 T207 N212F172-D176 WeakPolarHBondContact O-CB 3.3Å; F172-D176 PolarHBondContact O-N 3.47Å; S173-D176 PolarHBondContact O-N 2.83Å; L174-D176 VanDerWaalsContact C-N 3.34Å; D176-S180 WeakPolarHBondContact O-CB 3.34Å; D176-S180 PolarHBondContact O-N 3.37Å; D176-S180 VanDerWaalsContact O-N 3.14Å; D176-R188 PolarHBondContact O-NH1 3.33Å; D176-R188 IonicContact OD1-CZ 2.74Å; D176-R188 IonicContact OD1-NH1 2.69Å; D176-R188 IonicContact OD1-NH2 2.86Å; D176-R188 PolarHBondContact OD1-NH2 3.45Å; D176-T207 PolarHBondContact OD1-OG1 3.15Å; D176-T207 VanDerWaalsContact OD1-OG1 3.13Å; D176-N212 PolarHBondContact OD1-ND2 3.49Å; D176-N212 PolarHBondContact OD1-OD1 3.44Å; D176-N212 PolarHBondContact OD2-ND2 3.4Å
177S89.6Confident89.4Confident53 Ų5374.8 Ų74.837%0.37140%0.404SS..Hα-helixtrans-65.6-45.617757.90000111.4S173 L174 I175 L179 S180 I181S173-S177 PolarHBondContact O-N 3.46Å; S173-S177 PolarHBondContact O-OG 3.49Å; L174-S177 WeakPolarHBondContact CA-OG 3.39Å; L174-S177 PolarHBondContact O-N 3.21Å; L174-S177 PolarHBondContact O-OG 3.12Å; I175-S177 VanDerWaalsContact C-N 3.33Å; I175-S177 PolarHBondContact O-N 2.72Å; S177-L179 PolarHBondContact O-N 3.3Å; S177-S180 PolarHBondContact O-N 3.24Å; S177-S180 VanDerWaalsContact O-N 3.09Å; S177-S180 PolarHBondContact O-OG 3.22Å; S177-I181 WeakPolarHBondContact O-CG1 3.25Å
178Q91.2Very high88.9Confident129 Ų12968.2 Ų68.260%0.60338%0.379SS*.Hα-helixtrans-65.2-40.7178.8-72.9-167.1-600112.5L174 I175 S180 I181L174-Q178 WeakPolarHBondContact O-CG 3.21Å; L174-Q178 PolarHBondContact O-N 2.97Å; I175-Q178 PolarHBondContact O-N 3.24Å; Q178-S180 PolarHBondContact O-N 3.28Å; Q178-I181 PolarHBondContact O-N 3.14Å
179L88.7Confident88.5Confident5 Ų568.2 Ų68.23%0.02638%0.382CS..THydrogen-bonded Turntrans-70-11175.5-68.6-178.4000113.4I175 S177 L184 N185 R188 N212 V215 V216 I219I175-L179 HydrophobicContact CG2-CD1 3.79Å; I175-L179 HydrophobicContact CG2-CG 4.17Å; I175-L179 WeakPolarHBondContact O-CB 3.14Å; I175-L179 VanDerWaalsContact O-CG 3.28Å; I175-L179 WeakPolarHBondContact O-CG 3.48Å; I175-L179 PolarHBondContact O-N 2.99Å; S177-L179 PolarHBondContact O-N 3.3Å; L179-L184 HydrophobicContact CD2-CB 4.26Å; L179-L184 HydrophobicContact CD2-CD1 4.36Å; L179-N185 WeakPolarHBondContact O-CA 2.96Å; L179-N185 PolarHBondContact O-N 3.12Å; L179-R188 WeakPolarHBondContact O-CD 3.45Å; L179-N212 HydrophobicContact CD1-CB 4.13Å; L179-V215 HydrophobicContact CD1-CB 4.26Å; L179-V215 HydrophobicContact CD1-CG1 4.11Å; L179-V215 HydrophobicContact CD2-CG1 3.84Å; L179-V216 HydrophobicContact CD1-CG2 4.09Å; L179-V216 HydrophobicContact CD2-CG2 4.3Å; L179-V216 HydrophobicContact CG-CG2 4.44Å; L179-I219 HydrophobicContact CD2-CD1 3.53Å
180S87.3Confident88.2Confident67 Ų6769.8 Ų69.847%0.46938%0.384SS..THydrogen-bonded Turntrans-89.4-10.1175.973.50000113.4D176 S177 Q178 N185D176-S180 WeakPolarHBondContact O-CB 3.34Å; D176-S180 PolarHBondContact O-N 3.37Å; D176-S180 VanDerWaalsContact O-N 3.14Å; S177-S180 PolarHBondContact O-N 3.24Å; S177-S180 VanDerWaalsContact O-N 3.09Å; S177-S180 PolarHBondContact O-OG 3.22Å; Q178-S180 PolarHBondContact O-N 3.28Å; S180-N185 WeakPolarHBondContact O-CB 3.24Å
181I88.2Confident87.7Confident100 Ų10066.6 Ų66.651%0.51337%0.366SS..SBendtrans-95.7140.4-178.7-58.6164.8000109.4S177 Q178 L184 N185S177-I181 WeakPolarHBondContact O-CG1 3.25Å; Q178-I181 PolarHBondContact O-N 3.14Å; I181-L184 PolarHBondContact O-N 2.72Å; I181-N185 PolarHBondContact O-N 3.01Å; I181-N185 VanDerWaalsContact O-N 3.1Å
182P85Confident87.3Confident86 Ų8664.5 Ų64.556%0.55835%0.352SS*.THydrogen-bonded Turntrans-57.9146.4170.3-21.731.1000112.5N185P182-N185 WeakPolarHBondContact CA-OD1 3.49Å
183P85.6Confident86.8Confident93 Ų9369.7 Ų69.760%0.60438%0.376SS*.THydrogen-bonded Turncis-85.4-3.60.134.1-35.6000114N185 Q186P183-N185 VanDerWaalsContact C-N 3.32Å; P183-N185 PolarHBondContact O-N 3.16Å; P183-Q186 PolarHBondContact O-N 2.91Å
184L86.9Confident86.3Confident46 Ų4671.4 Ų71.424%0.24138%0.384CS..Hα-helixtrans-70.7-27.7-171.3-58.2-175.4000113.3L179 I181 Q186 I187 R188 I219L179-L184 HydrophobicContact CD2-CB 4.26Å; L179-L184 HydrophobicContact CD2-CD1 4.36Å; I181-L184 PolarHBondContact O-N 2.72Å; L184-Q186 VanDerWaalsContact C-N 3.27Å; L184-Q186 PolarHBondContact O-N 2.76Å; L184-I187 HydrophobicContact CD2-CD1 4.26Å; L184-I187 PolarHBondContact O-N 3.45Å; L184-I187 VanDerWaalsContact O-N 3.17Å; L184-R188 PolarHBondContact O-N 3.43Å; L184-I219 HydrophobicContact CB-CD1 4.5Å; L184-I219 HydrophobicContact CD2-CD1 3.89Å; L184-I219 HydrophobicContact CD2-CG1 4.29Å; L184-I219 HydrophobicContact CD2-CG2 4.08Å
185N87.2Confident85.2Confident38 Ų3874.4 Ų74.420%0.20339%0.388CS..Hα-helixtrans-57.3-38.6175.467.8-8.8000113.2L179 S180 I181 P182 P183 I187 R188 D189L179-N185 WeakPolarHBondContact O-CA 2.96Å; L179-N185 PolarHBondContact O-N 3.12Å; S180-N185 WeakPolarHBondContact O-CB 3.24Å; I181-N185 PolarHBondContact O-N 3.01Å; I181-N185 VanDerWaalsContact O-N 3.1Å; P182-N185 WeakPolarHBondContact CA-OD1 3.49Å; P183-N185 VanDerWaalsContact C-N 3.32Å; P183-N185 PolarHBondContact O-N 3.16Å; N185-I187 VanDerWaalsContact C-N 3.34Å; N185-I187 PolarHBondContact O-N 3.42Å; N185-R188 WeakPolarHBondContact O-CB 3.28Å; N185-R188 PolarHBondContact O-N 2.97Å; N185-D189 WeakPolarHBondContact O-CB 3.5Å; N185-D189 PolarHBondContact O-N 3.17Å
186Q86.4Confident84Confident123 Ų12376.4 Ų76.458%0.57541%0.405SS*.Hα-helixtrans-63.8-41.9177.8-62.7178.416.200111.1P183 L184 D189 I190P183-Q186 PolarHBondContact O-N 2.91Å; L184-Q186 VanDerWaalsContact C-N 3.27Å; L184-Q186 PolarHBondContact O-N 2.76Å; Q186-D189 PolarHBondContact O-N 3.11Å; Q186-I190 WeakPolarHBondContact O-CB 3.32Å; Q186-I190 WeakPolarHBondContact O-CD1 3.45Å; Q186-I190 WeakPolarHBondContact O-CG1 3.49Å; Q186-I190 PolarHBondContact O-N 2.89Å
187I84.6Confident82.5Confident67 Ų6780.3 Ų80.334%0.34443%0.431SS..Hα-helixtrans-64.6-44.1177.8-58174000109.9L184 N185 Y191 V215 I219L184-I187 HydrophobicContact CD2-CD1 4.26Å; L184-I187 PolarHBondContact O-N 3.45Å; L184-I187 VanDerWaalsContact O-N 3.17Å; N185-I187 VanDerWaalsContact C-N 3.34Å; N185-I187 PolarHBondContact O-N 3.42Å; I187-Y191 VanDerWaalsContact O-CB 3.23Å; I187-Y191 WeakPolarHBondContact O-CB 3.38Å; I187-Y191 PolarHBondContact O-N 3.3Å; I187-V215 HydrophobicContact CG2-CG1 4.37Å; I187-I219 HydrophobicContact CD1-CG1 4Å; I187-I219 HydrophobicContact CG2-CG1 4.13Å
188R84.5Confident80.4Confident30 Ų3084 Ų8411%0.11346%0.455CS..Hα-helixtrans-59.5-47.5175.7-179.8-165.3-174.8144.34.3111.3D176 L179 L184 N185 Y191 L192 T207 V215D176-R188 PolarHBondContact O-NH1 3.33Å; D176-R188 IonicContact OD1-CZ 2.74Å; D176-R188 IonicContact OD1-NH1 2.69Å; D176-R188 IonicContact OD1-NH2 2.86Å; D176-R188 PolarHBondContact OD1-NH2 3.45Å; L179-R188 WeakPolarHBondContact O-CD 3.45Å; L184-R188 PolarHBondContact O-N 3.43Å; N185-R188 WeakPolarHBondContact O-CB 3.28Å; N185-R188 PolarHBondContact O-N 2.97Å; R188-Y191 WeakPolarHBondContact O-CB 3.25Å; R188-Y191 PolarHBondContact O-N 2.94Å; R188-L192 HydrophobicContact CG-CD1 4.1Å; R188-L192 WeakPolarHBondContact O-CB 3.4Å; R188-L192 WeakPolarHBondContact O-CG 3.38Å; R188-L192 PolarHBondContact O-N 2.97Å; R188-T207 PolarHBondContact NH2-OG1 2.8Å; R188-V215 HydrophobicContact CB-CG1 4.3Å
189D83.7Confident78.5Confident77 Ų7780.6 Ų80.641%0.41246%0.455SS..Hα-helixtrans-65.9-44.5-177.9-70.1-17.4000111.3N185 Q186 Y191 L192 Q193N185-D189 WeakPolarHBondContact O-CB 3.5Å; N185-D189 PolarHBondContact O-N 3.17Å; Q186-D189 PolarHBondContact O-N 3.11Å; D189-Y191 VanDerWaalsContact C-N 3.32Å; D189-Y191 PolarHBondContact O-N 2.89Å; D189-L192 PolarHBondContact O-N 3.33Å; D189-Q193 WeakPolarHBondContact O-CB 3.33Å; D189-Q193 WeakPolarHBondContact O-CG 3.36Å; D189-Q193 PolarHBondContact O-N 3.44Å
190I84.2Confident76.4Confident96 Ų9687.7 Ų87.749%0.49249%0.493SS..Hα-helixtrans-60.2-43.8173.7-68.9165.4000110.5Q186 L192 Q193 T194Q186-I190 WeakPolarHBondContact O-CB 3.32Å; Q186-I190 WeakPolarHBondContact O-CD1 3.45Å; Q186-I190 WeakPolarHBondContact O-CG1 3.49Å; Q186-I190 PolarHBondContact O-N 2.89Å; I190-L192 VanDerWaalsContact C-N 3.34Å; I190-L192 PolarHBondContact O-N 3.26Å; I190-Q193 PolarHBondContact O-N 3.33Å; I190-T194 WeakPolarHBondContact O-CB 3.38Å; I190-T194 PolarHBondContact O-N 2.88Å; I190-T194 PolarHBondContact O-OG1 3.47Å
191Y83.9Confident74.5Confident37 Ų3789.3 Ų89.315%0.14550%0.504CS..Hα-helixtrans-62.8-41.7179-171.9-83.9000111.9I187 R188 D189 R195 T211 S214 V215I187-Y191 VanDerWaalsContact O-CB 3.23Å; I187-Y191 WeakPolarHBondContact O-CB 3.38Å; I187-Y191 PolarHBondContact O-N 3.3Å; R188-Y191 WeakPolarHBondContact O-CB 3.25Å; R188-Y191 PolarHBondContact O-N 2.94Å; D189-Y191 VanDerWaalsContact C-N 3.32Å; D189-Y191 PolarHBondContact O-N 2.89Å; Y191-R195 HydrophobicContact CE1-CG 4.36Å; Y191-R195 PolarHBondContact O-N 3.41Å; Y191-R195 PolarHBondContact OH-NE 3.04Å; Y191-R195 PolarHBondContact OH-NH2 3.46Å; Y191-T211 HydrophobicContact CD1-CG2 3.86Å; Y191-T211 HydrophobicContact CE1-CG2 3.87Å; Y191-S214 VanDerWaalsContact CZ-OG 3.29Å; Y191-S214 WeakPolarHBondContact OH-CB 3.39Å; Y191-S214 PolarHBondContact OH-OG 2.92Å; Y191-V215 HydrophobicContact CD1-CG2 3.57Å; Y191-V215 HydrophobicContact CD2-CG2 4.13Å; Y191-V215 HydrophobicContact CE1-CG2 4.2Å; Y191-V215 HydrophobicContact CG-CG2 3.54Å
192L81.7Confident72.6Confident31 Ų3192 Ų9216%0.16252%0.52CS..Hα-helixtrans-65.5-46.6175.3-74.9170.5000111.7R188 D189 I190 T194 R195 S196 A205 T207 T211R188-L192 HydrophobicContact CG-CD1 4.1Å; R188-L192 WeakPolarHBondContact O-CB 3.4Å; R188-L192 WeakPolarHBondContact O-CG 3.38Å; R188-L192 PolarHBondContact O-N 2.97Å; D189-L192 PolarHBondContact O-N 3.33Å; I190-L192 VanDerWaalsContact C-N 3.34Å; I190-L192 PolarHBondContact O-N 3.26Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 2.69Å; L192-R195 PolarHBondContact O-N 3.38Å; L192-S196 WeakPolarHBondContact O-CB 3.42Å; L192-S196 PolarHBondContact O-N 3.37Å; L192-S196 PolarHBondContact O-OG 3.4Å; L192-A205 HydrophobicContact CD1-CB 4.46Å; L192-A205 HydrophobicContact CD2-CB 4.26Å; L192-T207 HydrophobicContact CD1-CG2 3.73Å; L192-T207 HydrophobicContact CD2-CG2 4.2Å; L192-T207 HydrophobicContact CG-CG2 4.49Å; L192-T211 HydrophobicContact CD2-CG2 3.67Å; L192-T211 HydrophobicContact CG-CG2 4.41Å
193Q82.1Confident71.1Confident132 Ų13292.6 Ų92.662%0.61753%0.526SS*.Hα-helixtrans-59.9-41.9177.4-74.91726.100112.1D189 I190 R195 S196D189-Q193 WeakPolarHBondContact O-CB 3.33Å; D189-Q193 WeakPolarHBondContact O-CG 3.36Å; D189-Q193 PolarHBondContact O-N 3.44Å; I190-Q193 PolarHBondContact O-N 3.33Å; Q193-R195 VanDerWaalsContact C-N 3.32Å; Q193-R195 PolarHBondContact O-N 3.01Å; Q193-S196 WeakPolarHBondContact CA-OG 3.34Å; Q193-S196 PolarHBondContact O-N 3.5Å; Q193-S196 PolarHBondContact O-OG 2.96Å; Q193-S196 VanDerWaalsContact O-OG 3.08Å
194T79Confident69.6Low108 Ų10894.7 Ų94.766%0.66354%0.537SS*.Hα-helixtrans-69.1-31.5-178.5-52.80000112I190 L192I190-T194 WeakPolarHBondContact O-CB 3.38Å; I190-T194 PolarHBondContact O-N 2.88Å; I190-T194 PolarHBondContact O-OG1 3.47Å; L192-T194 VanDerWaalsContact C-N 3.33Å; L192-T194 PolarHBondContact O-N 2.69Å
195R68.8Low68.2Low165 Ų16594.8 Ų94.862%0.62355%0.545SS*.Hα-helixtrans-88.3-23.7176.5-77.7-169.6176.5-108.21.7113.9Y191 L192 Q193 T197Y191-R195 HydrophobicContact CE1-CG 4.36Å; Y191-R195 PolarHBondContact O-N 3.41Å; Y191-R195 PolarHBondContact OH-NE 3.04Å; Y191-R195 PolarHBondContact OH-NH2 3.46Å; L192-R195 PolarHBondContact O-N 3.38Å; Q193-R195 VanDerWaalsContact C-N 3.32Å; Q193-R195 PolarHBondContact O-N 3.01Å; R195-T197 PolarHBondContact O-N 3.06Å
196S66.8Low67.1Low77 Ų77104.1 Ų104.154%0.53858%0.577SS.*SBendtrans-76.172.3169.766.40000108.7L192 Q193 C198L192-S196 WeakPolarHBondContact O-CB 3.42Å; L192-S196 PolarHBondContact O-N 3.37Å; L192-S196 PolarHBondContact O-OG 3.4Å; Q193-S196 WeakPolarHBondContact CA-OG 3.34Å; Q193-S196 PolarHBondContact O-N 3.5Å; Q193-S196 PolarHBondContact O-OG 2.96Å; Q193-S196 VanDerWaalsContact O-OG 3.08Å; S196-C198 PolarHBondContact O-N 3.02Å
197T57.5Low66.4Low126 Ų12699.6 Ų99.677%0.77356%0.558SS**  trans-57.4109171.2-51.60000108.2R195R195-T197 PolarHBondContact O-N 3.06Å
198C45.7Very low66.1Low130 Ų13099.9 Ų99.988%0.87856%0.563SS**SBendtrans54.886.4158.2-1500000115.5S196S196-C198 PolarHBondContact O-N 3.02Å
199G50.9Low66.1Low59 Ų59102.9 Ų102.961%0.60858%0.577SS**  trans173.196.9168.600000113.4
200N44.2Very low66.2Low153 Ų153107.3 Ų107.382%0.81859%0.592SS**  trans52.9118.6152.4-61.656.3000118.6
201S47.4Very low66.3Low102 Ų102103.8 Ų103.871%0.71358%0.576SS**THydrogen-bonded Turntrans-29.2138.6161.837.10000115.4
202N49Very low66.5Low156 Ų156102.1 Ų102.183%0.83457%0.569SS**THydrogen-bonded Turntrans83.912.1162.6-49.3-13.8000118.5T204N202-T204 PolarHBondContact O-N 3.29Å; N202-T204 VanDerWaalsContact O-N 3.14Å
203S52.3Low66.9Low99 Ų99105 Ų10569%0.69258%0.584SS**  trans-69.2113.8164-172.10000109A205S203-A205 PolarHBondContact O-N 3.3Å
204T55Low67.2Low136 Ų136100.2 Ų100.283%0.83457%0.566SS**  trans-58.686.7155.740.90000106.6N202 R206N202-T204 PolarHBondContact O-N 3.29Å; N202-T204 VanDerWaalsContact O-N 3.14Å; T204-R206 VanDerWaalsContact C-N 3.31Å; T204-R206 PolarHBondContact O-N 3.32Å
205A57.6Low67.7Low49 Ų4995.1 Ų95.141%0.40553%0.534SS..  trans-61.898.4-177.300000107.3L192 S203 T207L192-A205 HydrophobicContact CD1-CB 4.46Å; L192-A205 HydrophobicContact CD2-CB 4.26Å; S203-A205 PolarHBondContact O-N 3.3Å; A205-T207 PolarHBondContact O-N 2.85Å
206R64.1Low68.8Low234 Ų23489.4 Ų89.488%0.88352%0.518SS*.  trans-55110177.4-175.2177.9-177.4175.92.1106.9T204 T208T204-R206 VanDerWaalsContact C-N 3.31Å; T204-R206 PolarHBondContact O-N 3.32Å; R206-T208 PolarHBondContact O-N 3.04Å
207T70.8Confident69.9Low28 Ų2891.5 Ų91.517%0.17252%0.519CS..  trans-67.8123.5180490000108.5D176 R188 L192 A205 N212D176-T207 PolarHBondContact OD1-OG1 3.15Å; D176-T207 VanDerWaalsContact OD1-OG1 3.13Å; R188-T207 PolarHBondContact NH2-OG1 2.8Å; L192-T207 HydrophobicContact CD1-CG2 3.73Å; L192-T207 HydrophobicContact CD2-CG2 4.2Å; L192-T207 HydrophobicContact CG-CG2 4.49Å; A205-T207 PolarHBondContact O-N 2.85Å; T207-N212 WeakPolarHBondContact CB-OD1 3.18Å
208T79.3Confident71.3Confident73 Ų7387.2 Ų87.245%0.44849%0.492SS..  trans-81.4152173.770.40000108.7R206 K210 T211 N212R206-T208 PolarHBondContact O-N 3.04Å; T208-K210 PolarHBondContact O-N 3.05Å; T208-K210 VanDerWaalsContact O-N 3.1Å; T208-T211 WeakPolarHBondContact O-CA 3.36Å; T208-T211 WeakPolarHBondContact O-CB 2.9Å; T208-T211 PolarHBondContact O-N 2.98Å; T208-T211 PolarHBondContact OG1-N 2.06Å; T208-T211 VanDerWaalsContact OG1-N 3.08Å; T208-T211 PolarHBondContact OG1-OG1 3.47Å; T208-N212 PolarHBondContact O-N 3.17Å
209K84.9Confident73.4Confident93 Ų9382.4 Ų82.440%0.40446%0.457SS..Hα-helixtrans-46.6-40.5169.9-68.9-177.7170.7-174.90111.7E168 F172 N212 L213E168-K209 IonicContact OE1-NZ 3.88Å; E168-K209 PolarHBondContact OE1-NZ 2.82Å; E168-K209 IonicContact OE2-NZ 3.92Å; E168-K209 PolarHBondContact OE2-NZ 2.8Å; F172-K209 HydrophobicContact CD1-CB 4.03Å; F172-K209 HydrophobicContact CD1-CD 4.49Å; F172-K209 HydrophobicContact CD1-CG 3.8Å; F172-K209 HydrophobicContact CD2-CD 3.65Å; F172-K209 VanDerWaalsContact CD2-CE 3.5Å; F172-K209 HydrophobicContact CD2-CG 3.85Å; F172-K209 HydrophobicContact CE1-CB 3.61Å; F172-K209 HydrophobicContact CE1-CD 4.43Å; F172-K209 HydrophobicContact CE1-CG 3.86Å; F172-K209 HydrophobicContact CE2-CB 4.21Å; F172-K209 HydrophobicContact CE2-CD 3.59Å; F172-K209 HydrophobicContact CE2-CG 3.93Å; F172-K209 HydrophobicContact CG-CB 4.49Å; F172-K209 HydrophobicContact CG-CD 4.13Å; F172-K209 HydrophobicContact CG-CG 3.81Å; F172-K209 HydrophobicContact CZ-CB 3.72Å; F172-K209 HydrophobicContact CZ-CD 4Å; F172-K209 HydrophobicContact CZ-CG 3.93Å; K209-N212 PolarHBondContact O-N 3.45Å; K209-L213 WeakPolarHBondContact O-CG 3.38Å; K209-L213 PolarHBondContact O-N 3.24Å
210K85.7Confident75.3Confident169 Ų16983.1 Ų83.174%0.73545%0.45SS*.Hα-helixtrans-63.7-41.7176.8-174.9175.4-178.71750112.8T208 S214T208-K210 PolarHBondContact O-N 3.05Å; T208-K210 VanDerWaalsContact O-N 3.1Å; K210-S214 PolarHBondContact O-N 3.23Å
211T85.6Confident77.3Confident23 Ų2381.8 Ų81.814%0.14143%0.433CS..Hα-helixtrans-63-49.5175.5-51.90000110.5Y191 L192 T208 L213 S214 V215Y191-T211 HydrophobicContact CD1-CG2 3.86Å; Y191-T211 HydrophobicContact CE1-CG2 3.87Å; L192-T211 HydrophobicContact CD2-CG2 3.67Å; L192-T211 HydrophobicContact CG-CG2 4.41Å; T208-T211 WeakPolarHBondContact O-CA 3.36Å; T208-T211 WeakPolarHBondContact O-CB 2.9Å; T208-T211 PolarHBondContact O-N 2.98Å; T208-T211 PolarHBondContact OG1-N 2.06Å; T208-T211 VanDerWaalsContact OG1-N 3.08Å; T208-T211 PolarHBondContact OG1-OG1 3.47Å; T211-L213 PolarHBondContact O-N 3.33Å; T211-S214 PolarHBondContact O-N 3.12Å; T211-S214 VanDerWaalsContact O-N 3.09Å; T211-V215 HydrophobicContact CG2-CG2 4.45Å; T211-V215 WeakPolarHBondContact O-CG2 3.42Å; T211-V215 PolarHBondContact O-N 3.09Å
212N87.8Confident79.2Confident1 Ų183.1 Ų83.11%0.00543%0.427CS..Hα-helixtrans-59.1-48.1-180-69.2-11.7000111.6I175 D176 L179 T207 T208 K209 S214 V215 V216I175-N212 HydrophobicContact CG2-CB 4.05Å; D176-N212 PolarHBondContact OD1-ND2 3.49Å; D176-N212 PolarHBondContact OD1-OD1 3.44Å; D176-N212 PolarHBondContact OD2-ND2 3.4Å; L179-N212 HydrophobicContact CD1-CB 4.13Å; T207-N212 WeakPolarHBondContact CB-OD1 3.18Å; T208-N212 PolarHBondContact O-N 3.17Å; K209-N212 PolarHBondContact O-N 3.45Å; N212-S214 VanDerWaalsContact C-N 3.26Å; N212-S214 PolarHBondContact O-N 3.1Å; N212-V215 PolarHBondContact O-N 3.29Å; N212-V215 VanDerWaalsContact O-N 3.15Å; N212-V216 WeakPolarHBondContact O-CG2 3.44Å; N212-V216 PolarHBondContact O-N 3.23Å
213L89.9Confident81.1Confident91 Ų9183.2 Ų83.248%0.47642%0.415SS..Hα-helixtrans-58.7-39.4175.9-72.2176.9000112.1F172 K209 T211 H217F172-L213 HydrophobicContact CE1-CD1 4.31Å; F172-L213 HydrophobicContact CE1-CD2 4.09Å; F172-L213 HydrophobicContact CE1-CG 3.87Å; F172-L213 HydrophobicContact CZ-CD1 4.02Å; F172-L213 HydrophobicContact CZ-CD2 4.24Å; F172-L213 HydrophobicContact CZ-CG 4.07Å; K209-L213 WeakPolarHBondContact O-CG 3.38Å; K209-L213 PolarHBondContact O-N 3.24Å; T211-L213 PolarHBondContact O-N 3.33Å; L213-H217 WeakPolarHBondContact O-CB 3.39Å; L213-H217 PolarHBondContact O-N 3.45Å
214S88.6Confident82.7Confident33 Ų3382.8 Ų82.823%0.23140%0.404CS..Hα-helixtrans-70-34.9178-169.80000113Y191 K210 T211 N212 T218Y191-S214 VanDerWaalsContact CZ-OG 3.29Å; Y191-S214 WeakPolarHBondContact OH-CB 3.39Å; Y191-S214 PolarHBondContact OH-OG 2.92Å; K210-S214 PolarHBondContact O-N 3.23Å; T211-S214 PolarHBondContact O-N 3.12Å; T211-S214 VanDerWaalsContact O-N 3.09Å; N212-S214 VanDerWaalsContact C-N 3.26Å; N212-S214 PolarHBondContact O-N 3.1Å; S214-T218 WeakPolarHBondContact O-CB 3.45Å; S214-T218 PolarHBondContact O-N 3.29Å; S214-T218 PolarHBondContact O-OG1 3.5Å
215V89.5Confident84.1Confident0 Ų077.6 Ų77.60%037%0.37CS..Hα-helixtrans-66.6-49.1174.4172.90000109.6L179 I187 R188 Y191 T211 N212 H217 T218 I219L179-V215 HydrophobicContact CD1-CB 4.26Å; L179-V215 HydrophobicContact CD1-CG1 4.11Å; L179-V215 HydrophobicContact CD2-CG1 3.84Å; I187-V215 HydrophobicContact CG2-CG1 4.37Å; R188-V215 HydrophobicContact CB-CG1 4.3Å; Y191-V215 HydrophobicContact CD1-CG2 3.57Å; Y191-V215 HydrophobicContact CD2-CG2 4.13Å; Y191-V215 HydrophobicContact CE1-CG2 4.2Å; Y191-V215 HydrophobicContact CG-CG2 3.54Å; T211-V215 HydrophobicContact CG2-CG2 4.45Å; T211-V215 WeakPolarHBondContact O-CG2 3.42Å; T211-V215 PolarHBondContact O-N 3.09Å; N212-V215 PolarHBondContact O-N 3.29Å; N212-V215 VanDerWaalsContact O-N 3.15Å; V215-H217 PolarHBondContact O-N 3.4Å; V215-T218 WeakPolarHBondContact O-CA 3.48Å; V215-T218 WeakPolarHBondContact O-CB 3.32Å; V215-T218 PolarHBondContact O-N 3.26Å; V215-T218 VanDerWaalsContact O-N 3.07Å; V215-I219 HydrophobicContact CG1-CD1 3.72Å; V215-I219 HydrophobicContact CG1-CG1 4.45Å; V215-I219 WeakPolarHBondContact O-CG1 3.06Å; V215-I219 PolarHBondContact O-N 3.38Å
216V91.6Very high85.4Confident46 Ų4679 Ų7928%0.27937%0.368SS..Hα-helixtrans-55.8-50.1175.2172.50000111I175 L179 N212 T218 I219 V220I175-V216 HydrophobicContact CG2-CG2 3.68Å; L179-V216 HydrophobicContact CD1-CG2 4.09Å; L179-V216 HydrophobicContact CD2-CG2 4.3Å; L179-V216 HydrophobicContact CG-CG2 4.44Å; N212-V216 WeakPolarHBondContact O-CG2 3.44Å; N212-V216 PolarHBondContact O-N 3.23Å; V216-T218 PolarHBondContact O-N 3.15Å; V216-I219 PolarHBondContact O-N 3.39Å; V216-I219 VanDerWaalsContact O-N 3.16Å; V216-V220 HydrophobicContact CG1-CG2 4.22Å; V216-V220 WeakPolarHBondContact O-CG2 3Å; V216-V220 PolarHBondContact O-N 3.27Å
217H89.9Confident86.5Confident121 Ų12174.9 Ų74.956%0.5635%0.354SS*.Hα-helixtrans-57.8-38.6177.8178-89.3000111.9L213 V215 R221L213-H217 WeakPolarHBondContact O-CB 3.39Å; L213-H217 PolarHBondContact O-N 3.45Å; V215-H217 PolarHBondContact O-N 3.4Å; H217-R221 VanDerWaalsContact O-CB 3.27Å; H217-R221 WeakPolarHBondContact O-CB 3.44Å; H217-R221 PolarHBondContact O-N 2.97Å
218T88.3Confident87.2Confident35 Ų3576.4 Ų76.422%0.21536%0.36CS..Hα-helixtrans-66.2-47.8176.9-58.10000111S214 V215 V216 V220 R221 F222S214-T218 WeakPolarHBondContact O-CB 3.45Å; S214-T218 PolarHBondContact O-N 3.29Å; S214-T218 PolarHBondContact O-OG1 3.5Å; V215-T218 WeakPolarHBondContact O-CA 3.48Å; V215-T218 WeakPolarHBondContact O-CB 3.32Å; V215-T218 PolarHBondContact O-N 3.26Å; V215-T218 VanDerWaalsContact O-N 3.07Å; V216-T218 PolarHBondContact O-N 3.15Å; T218-V220 PolarHBondContact O-N 2.94Å; T218-R221 PolarHBondContact O-N 3.18Å; T218-F222 HydrophobicContact CG2-CD2 3.66Å; T218-F222 HydrophobicContact CG2-CE2 3.44Å; T218-F222 VanDerWaalsContact CG2-CE2 3.44Å; T218-F222 WeakPolarHBondContact O-CD2 3.27Å; T218-F222 PolarHBondContact O-N 3.26Å
219I89.3Confident87.5Confident29 Ų2976 Ų7615%0.14936%0.355CS..Hα-helixtrans-58.4-49.3177.3-67.1158.6000110.9L179 L184 I187 V215 V216 R221 F222 R223L179-I219 HydrophobicContact CD2-CD1 3.53Å; L184-I219 HydrophobicContact CB-CD1 4.5Å; L184-I219 HydrophobicContact CD2-CD1 3.89Å; L184-I219 HydrophobicContact CD2-CG1 4.29Å; L184-I219 HydrophobicContact CD2-CG2 4.08Å; I187-I219 HydrophobicContact CD1-CG1 4Å; I187-I219 HydrophobicContact CG2-CG1 4.13Å; V215-I219 HydrophobicContact CG1-CD1 3.72Å; V215-I219 HydrophobicContact CG1-CG1 4.45Å; V215-I219 WeakPolarHBondContact O-CG1 3.06Å; V215-I219 PolarHBondContact O-N 3.38Å; V216-I219 PolarHBondContact O-N 3.39Å; V216-I219 VanDerWaalsContact O-N 3.16Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 2.99Å; I219-F222 PolarHBondContact O-N 3.39Å; I219-R223 PolarHBondContact O-N 3.39Å
220V90Very high87.6Confident74 Ų7476.7 Ų76.745%0.44836%0.36SS..Hα-helixtrans-59.5-45.7178.4171.40000110.6V216 T218 F222 R223 I224V216-V220 HydrophobicContact CG1-CG2 4.22Å; V216-V220 WeakPolarHBondContact O-CG2 3Å; V216-V220 PolarHBondContact O-N 3.27Å; T218-V220 PolarHBondContact O-N 2.94Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 3.13Å; V220-R223 PolarHBondContact O-N 3.14Å; V220-I224 HydrophobicContact CG1-CD1 3.76Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 VanDerWaalsContact O-CG1 3.32Å; V220-I224 WeakPolarHBondContact O-CG1 3.42Å; V220-I224 PolarHBondContact O-N 3.45Å
221R87.7Confident87.7Confident126 Ų12672 Ų7248%0.47534%0.342SS..Hα-helixtrans-60.1-40.7177.3-172.9-179.1-176.3-168.60.1112.1H217 T218 I219 K225H217-R221 VanDerWaalsContact O-CB 3.27Å; H217-R221 WeakPolarHBondContact O-CB 3.44Å; H217-R221 PolarHBondContact O-N 2.97Å; T218-R221 PolarHBondContact O-N 3.18Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 2.99Å; R221-K225 WeakPolarHBondContact O-CG 3.33Å; R221-K225 PolarHBondContact O-N 3.05Å; R221-K225 VanDerWaalsContact O-N 3.13Å
222F86.4Confident87.7Confident130 Ų13073.3 Ų73.357%0.5734%0.344SS*.Hα-helixtrans-66.8-44.7176.5-83.7-68.6000112T218 I219 V220 I224 K225 E226T218-F222 HydrophobicContact CG2-CD2 3.66Å; T218-F222 HydrophobicContact CG2-CE2 3.44Å; T218-F222 VanDerWaalsContact CG2-CE2 3.44Å; T218-F222 WeakPolarHBondContact O-CD2 3.27Å; T218-F222 PolarHBondContact O-N 3.26Å; I219-F222 PolarHBondContact O-N 3.39Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 3.13Å; F222-I224 PolarHBondContact O-N 2.57Å; F222-K225 WeakPolarHBondContact O-CB 3.4Å; F222-K225 PolarHBondContact O-N 3.19Å; F222-K225 VanDerWaalsContact O-N 3.14Å; F222-E226 PolarHBondContact O-N 3.14Å
223R88.3Confident87.8Confident157 Ų15777.5 Ų77.559%0.59236%0.364SS*.Hα-helixtrans-63.8-39.3177.6-88.6-45-154.9-155.616.7113.5I219 V220 K225 E226 Y227I219-R223 PolarHBondContact O-N 3.39Å; V220-R223 PolarHBondContact O-N 3.14Å; R223-K225 VanDerWaalsContact C-N 3.31Å; R223-K225 PolarHBondContact O-N 3.06Å; R223-E226 WeakPolarHBondContact CD-OE2 3.33Å; R223-E226 IonicContact CZ-OE1 2.59Å; R223-E226 IonicContact CZ-OE2 3.38Å; R223-E226 IonicContact NE-OE2 2.77Å; R223-E226 IonicContact NH1-OE1 2.74Å; R223-E226 PolarHBondContact NH1-OE1 3.19Å; R223-E226 IonicContact NH1-OE2 2.7Å; R223-E226 PolarHBondContact NH1-OE2 3.06Å; R223-E226 PolarHBondContact O-N 2.75Å; R223-Y227 WeakPolarHBondContact O-CB 3.37Å; R223-Y227 PolarHBondContact O-N 3.01Å
224I86Confident87.7Confident90 Ų9078.3 Ų78.346%0.46237%0.365SS..Hα-helixtrans-60.8-44.1173.4-67.8167.7000110.3V220 F222 E226 Y227 L228V220-I224 HydrophobicContact CG1-CD1 3.76Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 VanDerWaalsContact O-CG1 3.32Å; V220-I224 WeakPolarHBondContact O-CG1 3.42Å; V220-I224 PolarHBondContact O-N 3.45Å; F222-I224 PolarHBondContact O-N 2.57Å; I224-E226 PolarHBondContact O-N 2.91Å; I224-Y227 PolarHBondContact O-N 3Å; I224-L228 HydrophobicContact CG2-CD1 4.07Å; I224-L228 HydrophobicContact CG2-CG 4.45Å; I224-L228 VanDerWaalsContact O-CG 3.25Å; I224-L228 WeakPolarHBondContact O-CG 3.15Å; I224-L228 PolarHBondContact O-N 3.22Å
225K84.1Confident87.8Confident28 Ų2880.4 Ų80.412%0.12237%0.373CS..Hα-helixtrans-60.3-45178-79.9-176.8167.6-166.70112.4R221 F222 R223 L228 I229 F276 D279 L280R221-K225 WeakPolarHBondContact O-CG 3.33Å; R221-K225 PolarHBondContact O-N 3.05Å; R221-K225 VanDerWaalsContact O-N 3.13Å; F222-K225 WeakPolarHBondContact O-CB 3.4Å; F222-K225 PolarHBondContact O-N 3.19Å; F222-K225 VanDerWaalsContact O-N 3.14Å; R223-K225 VanDerWaalsContact C-N 3.31Å; R223-K225 PolarHBondContact O-N 3.06Å; K225-L228 PolarHBondContact O-N 3.22Å; K225-I229 WeakPolarHBondContact O-CG1 3.31Å; K225-I229 PolarHBondContact O-N 2.97Å; K225-F276 HydrophobicContact CG-CE2 4.16Å; K225-F276 HydrophobicContact CG-CZ 4.17Å; K225-D279 IonicContact NZ-OD2 3.99Å; K225-D279 PolarHBondContact NZ-OD2 3.41Å; K225-L280 HydrophobicContact CB-CD2 4.27Å; K225-L280 HydrophobicContact CG-CD2 4.37Å
226E84.8Confident87.8Confident78 Ų7881.8 Ų81.836%0.36438%0.38SS..Hα-helixtrans-64.9-44.8179.4-172.5174.7175.500112F222 R223 I224 L228 I229 E230F222-E226 PolarHBondContact O-N 3.14Å; R223-E226 WeakPolarHBondContact CD-OE2 3.33Å; R223-E226 IonicContact CZ-OE1 2.59Å; R223-E226 IonicContact CZ-OE2 3.38Å; R223-E226 IonicContact NE-OE2 2.77Å; R223-E226 IonicContact NH1-OE1 2.74Å; R223-E226 PolarHBondContact NH1-OE1 3.19Å; R223-E226 IonicContact NH1-OE2 2.7Å; R223-E226 PolarHBondContact NH1-OE2 3.06Å; R223-E226 PolarHBondContact O-N 2.75Å; I224-E226 PolarHBondContact O-N 2.91Å; E226-L228 VanDerWaalsContact C-N 3.26Å; E226-L228 PolarHBondContact O-N 3.09Å; E226-I229 WeakPolarHBondContact O-CB 3.45Å; E226-I229 PolarHBondContact O-N 3.43Å; E226-E230 PolarHBondContact O-N 2.88Å
227Y87.8Confident87.8Confident147 Ų14786.2 Ų86.258%0.57639%0.391SS*.Hα-helixtrans-57.6-39.6173.6-179.4-101.1000112.2R223 I224 I229 E230 L231R223-Y227 WeakPolarHBondContact O-CB 3.37Å; R223-Y227 PolarHBondContact O-N 3.01Å; I224-Y227 PolarHBondContact O-N 3Å; Y227-I229 VanDerWaalsContact C-N 3.34Å; Y227-I229 PolarHBondContact O-N 3.27Å; Y227-E230 PolarHBondContact O-N 3.49Å; Y227-L231 HydrophobicContact CE1-CD2 4.49Å; Y227-L231 VanDerWaalsContact O-CB 3.28Å; Y227-L231 WeakPolarHBondContact O-CB 3.28Å; Y227-L231 PolarHBondContact O-N 3.16Å
228L86.2Confident87.9Confident60 Ų6083.9 Ų83.931%0.31439%0.386SS..Hα-helixtrans-68.2-32176.1-69.9174.4000113I224 K225 E226 R232 F276 L280I224-L228 HydrophobicContact CG2-CD1 4.07Å; I224-L228 HydrophobicContact CG2-CG 4.45Å; I224-L228 VanDerWaalsContact O-CG 3.25Å; I224-L228 WeakPolarHBondContact O-CG 3.15Å; I224-L228 PolarHBondContact O-N 3.22Å; K225-L228 PolarHBondContact O-N 3.22Å; E226-L228 VanDerWaalsContact C-N 3.26Å; E226-L228 PolarHBondContact O-N 3.09Å; L228-R232 WeakPolarHBondContact O-CB 3.37Å; L228-R232 PolarHBondContact O-N 3.18Å; L228-F276 HydrophobicContact CD1-CE1 3.65Å; L228-F276 HydrophobicContact CD1-CZ 3.78Å; L228-L280 HydrophobicContact CB-CD2 4.42Å
229I84.7Confident88Confident65 Ų6583 Ų8333%0.33338%0.379SS..Hα-helixtrans-67-49.6173.6-67.4165.8000109.6K225 E226 Y227 L231 R232 E233 L280K225-I229 WeakPolarHBondContact O-CG1 3.31Å; K225-I229 PolarHBondContact O-N 2.97Å; E226-I229 WeakPolarHBondContact O-CB 3.45Å; E226-I229 PolarHBondContact O-N 3.43Å; Y227-I229 VanDerWaalsContact C-N 3.34Å; Y227-I229 PolarHBondContact O-N 3.27Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 2.96Å; I229-R232 WeakPolarHBondContact O-CB 3.43Å; I229-R232 PolarHBondContact O-N 2.7Å; I229-R232 VanDerWaalsContact O-N 3.16Å; I229-E233 PolarHBondContact O-N 2.96Å; I229-L280 HydrophobicContact CD1-CD2 4.26Å; I229-L280 HydrophobicContact CG1-CD2 3.8Å
230E87Confident88.2Confident108 Ų10883.3 Ų83.351%0.50538%0.381SS..Hα-helixtrans-59.2-44.4177.9-70.4178.6179.700111.8E226 Y227 R232 E233 H234E226-E230 PolarHBondContact O-N 2.88Å; Y227-E230 PolarHBondContact O-N 3.49Å; E230-R232 VanDerWaalsContact C-N 3.33Å; E230-R232 PolarHBondContact O-N 3.02Å; E230-E233 PolarHBondContact O-N 3.26Å; E230-H234 WeakPolarHBondContact O-CB 3.38Å; E230-H234 PolarHBondContact O-N 3.36Å
231L88.2Confident88.2Confident70 Ų7083.9 Ų83.937%0.36639%0.385SS..Hα-helixtrans-60.9-43.2176.2-17863.1000111.4Y227 I229 H234 I235Y227-L231 HydrophobicContact CE1-CD2 4.49Å; Y227-L231 VanDerWaalsContact O-CB 3.28Å; Y227-L231 WeakPolarHBondContact O-CB 3.28Å; Y227-L231 PolarHBondContact O-N 3.16Å; I229-L231 VanDerWaalsContact C-N 3.33Å; I229-L231 PolarHBondContact O-N 2.96Å; L231-H234 PolarHBondContact O-N 2.96Å; L231-I235 HydrophobicContact CG-CD1 4.22Å; L231-I235 WeakPolarHBondContact O-CG1 3.31Å; L231-I235 PolarHBondContact O-N 3.19Å
232R86.1Confident88.5Confident50 Ų5081.3 Ų81.319%0.18938%0.381CS..Hα-helixtrans-62-45.5176.8-176.8-177.3-177.8-131.3-3111.5L228 I229 E230 H234 I235 H236 L269 E285L228-R232 WeakPolarHBondContact O-CB 3.37Å; L228-R232 PolarHBondContact O-N 3.18Å; I229-R232 WeakPolarHBondContact O-CB 3.43Å; I229-R232 PolarHBondContact O-N 2.7Å; I229-R232 VanDerWaalsContact O-N 3.16Å; E230-R232 VanDerWaalsContact C-N 3.33Å; E230-R232 PolarHBondContact O-N 3.02Å; R232-H234 VanDerWaalsContact C-N 3.31Å; R232-H234 PolarHBondContact O-N 2.9Å; R232-I235 PolarHBondContact O-N 3.46Å; R232-H236 PolarHBondContact NH2-CE1 2.99Å; R232-H236 PolarHBondContact O-N 2.9Å; R232-L269 VanDerWaalsContact NH2-CD1 3.34Å; R232-E285 IonicContact CZ-OE2 3.48Å; R232-E285 IonicContact NH1-OE2 2.99Å; R232-E285 PolarHBondContact NH1-OE2 3.37Å; R232-E285 IonicContact NH2-OE1 3.74Å; R232-E285 IonicContact NH2-OE2 2.63Å; R232-E285 PolarHBondContact NH2-OE2 3.31Å
233E88.6Confident88.7Confident89 Ų8975.1 Ų75.142%0.41635%0.353SS..Hα-helixtrans-62.3-40.2176.4-71.3-175.1174.900112I229 E230 H236 R237I229-E233 PolarHBondContact O-N 2.96Å; E230-E233 PolarHBondContact O-N 3.26Å; E233-H236 PolarHBondContact O-N 3.47Å; E233-R237 WeakPolarHBondContact O-CG 3.39Å; E233-R237 PolarHBondContact O-N 2.98Å; E233-R237 IonicContact OE2-CZ 3.87Å; E233-R237 IonicContact OE2-NH1 3.54Å; E233-R237 IonicContact OE2-NH2 2.97Å; E233-R237 PolarHBondContact OE2-NH2 3.23Å
234H89.2Confident88.9Confident108 Ų10873.6 Ų73.650%0.535%0.353SS..Hα-helixtrans-61.6-44.3175.3179.372000112E230 L231 R232 H236 R237 T238E230-H234 WeakPolarHBondContact O-CB 3.38Å; E230-H234 PolarHBondContact O-N 3.36Å; L231-H234 PolarHBondContact O-N 2.96Å; R232-H234 VanDerWaalsContact C-N 3.31Å; R232-H234 PolarHBondContact O-N 2.9Å; H234-H236 VanDerWaalsContact C-N 3.32Å; H234-H236 PolarHBondContact O-N 3.33Å; H234-R237 PolarHBondContact O-N 3.43Å; H234-T238 WeakPolarHBondContact O-CB 3.22Å; H234-T238 PolarHBondContact O-N 3.25Å; H234-T238 PolarHBondContact O-OG1 3.1Å
235I88.9Confident89.1Confident78 Ų7875.4 Ų75.440%0.436%0.363SS..Hα-helixtrans-58.6-46.4173.5-68.7164.8000110.1L231 R232 R237 T238 L239L231-I235 HydrophobicContact CG-CD1 4.22Å; L231-I235 WeakPolarHBondContact O-CG1 3.31Å; L231-I235 PolarHBondContact O-N 3.19Å; R232-I235 PolarHBondContact O-N 3.46Å; I235-R237 PolarHBondContact O-N 3.26Å; I235-T238 PolarHBondContact O-N 2.82Å; I235-L239 HydrophobicContact CG2-CD1 3.86Å; I235-L239 HydrophobicContact CG2-CG 4.24Å; I235-L239 WeakPolarHBondContact O-CB 3.42Å; I235-L239 VanDerWaalsContact O-CG 3.3Å; I235-L239 WeakPolarHBondContact O-CG 3.45Å; I235-L239 PolarHBondContact O-N 3.4Å
236H90.6Very high89.3Confident29 Ų2979.3 Ų79.313%0.13439%0.385CS..Hα-helixtrans-60.9-46.3178.6-74-174000112.8R232 E233 H234 T238 L239 D240 R255R232-H236 PolarHBondContact NH2-CE1 2.99Å; R232-H236 PolarHBondContact O-N 2.9Å; E233-H236 PolarHBondContact O-N 3.47Å; H234-H236 VanDerWaalsContact C-N 3.32Å; H234-H236 PolarHBondContact O-N 3.33Å; H236-T238 VanDerWaalsContact C-N 3.27Å; H236-T238 PolarHBondContact O-N 2.65Å; H236-L239 PolarHBondContact O-N 3.07Å; H236-D240 WeakPolarHBondContact O-CB 3.37Å; H236-D240 VanDerWaalsContact O-CG 3.22Å; H236-D240 PolarHBondContact O-N 3.19Å; H236-D240 VanDerWaalsContact O-OD2 3.08Å; H236-R255 PolarHBondContact CE1-NH2 3.5Å; H236-R255 VanDerWaalsContact CE1-NH2 3.33Å; H236-R255 VanDerWaalsContact CG-CZ 3.47Å; H236-R255 PolarHBondContact ND1-NH2 3.46Å; H236-R255 VanDerWaalsContact ND1-NH2 3.17Å
237R91.2Very high89.4Confident139 Ų13978.4 Ų78.453%0.52538%0.382SS..Hα-helixtrans-59.9-39.1176-69175.5-164.8116.57.6111.8E233 H234 I235 T241E233-R237 WeakPolarHBondContact O-CG 3.39Å; E233-R237 PolarHBondContact O-N 2.98Å; E233-R237 IonicContact OE2-CZ 3.87Å; E233-R237 IonicContact OE2-NH1 3.54Å; E233-R237 IonicContact OE2-NH2 2.97Å; E233-R237 PolarHBondContact OE2-NH2 3.23Å; H234-R237 PolarHBondContact O-N 3.43Å; I235-R237 PolarHBondContact O-N 3.26Å; R237-T241 WeakPolarHBondContact O-CB 3.33Å; R237-T241 PolarHBondContact O-N 3.39Å; R237-T241 PolarHBondContact O-OG1 3.27Å
238T92.8Very high89.2Confident72 Ų7280.3 Ų80.344%0.44240%0.396SS..Hα-helixtrans-68.3-43.8178.2-54.70000111.1H234 I235 H236 T241 L242H234-T238 WeakPolarHBondContact O-CB 3.22Å; H234-T238 PolarHBondContact O-N 3.25Å; H234-T238 PolarHBondContact O-OG1 3.1Å; I235-T238 PolarHBondContact O-N 2.82Å; H236-T238 VanDerWaalsContact C-N 3.27Å; H236-T238 PolarHBondContact O-N 2.65Å; T238-T241 PolarHBondContact O-N 3.09Å; T238-L242 WeakPolarHBondContact O-CB 3.45Å; T238-L242 PolarHBondContact O-N 2.8Å
239L90.8Very high89.3Confident15 Ų1584.3 Ų84.38%0.07942%0.418CS..Hα-helixtrans-64.1-42.7174.5-71.2175.5000112.2I235 H236 T241 L242 F243 R255 A259 L263 L265I235-L239 HydrophobicContact CG2-CD1 3.86Å; I235-L239 HydrophobicContact CG2-CG 4.24Å; I235-L239 WeakPolarHBondContact O-CB 3.42Å; I235-L239 VanDerWaalsContact O-CG 3.3Å; I235-L239 WeakPolarHBondContact O-CG 3.45Å; I235-L239 PolarHBondContact O-N 3.4Å; H236-L239 PolarHBondContact O-N 3.07Å; L239-T241 VanDerWaalsContact C-N 3.3Å; L239-T241 PolarHBondContact O-N 3.37Å; L239-L242 PolarHBondContact O-N 3.08Å; L239-F243 HydrophobicContact CB-CD2 4.35Å; L239-F243 HydrophobicContact CB-CE2 4.05Å; L239-F243 HydrophobicContact CD2-CE2 4.19Å; L239-F243 HydrophobicContact CD2-CZ 4.14Å; L239-F243 WeakPolarHBondContact O-CB 3Å; L239-F243 WeakPolarHBondContact O-CD2 3.34Å; L239-F243 WeakPolarHBondContact O-CG 3.04Å; L239-F243 PolarHBondContact O-N 3.33Å; L239-R255 HydrophobicContact CB-CG 3.97Å; L239-R255 HydrophobicContact CD1-CG 4.33Å; L239-A259 HydrophobicContact CD1-CB 4.09Å; L239-L263 HydrophobicContact CD2-CD1 3.37Å; L239-L265 HydrophobicContact CD1-CD1 4.41Å; L239-L265 HydrophobicContact CD2-CD1 4.47Å
240D91.7Very high89.6Confident37 Ų3782.7 Ų82.720%0.19841%0.408CS..Hα-helixtrans-59.6-44.4175.9-74.8-39.4000110.4H236 H244 Y250 R255H236-D240 WeakPolarHBondContact O-CB 3.37Å; H236-D240 VanDerWaalsContact O-CG 3.22Å; H236-D240 PolarHBondContact O-N 3.19Å; H236-D240 VanDerWaalsContact O-OD2 3.08Å; D240-H244 WeakPolarHBondContact O-CB 3.47Å; D240-H244 PolarHBondContact O-N 3.3Å; D240-Y250 HydrophobicContact CB-CE1 4.16Å; D240-Y250 WeakPolarHBondContact OD1-CE1 3.44Å; D240-Y250 PolarHBondContact OD1-OH 2.94Å; D240-R255 WeakPolarHBondContact OD1-CD 3.47Å; D240-R255 IonicContact OD1-NH1 2.81Å; D240-R255 IonicContact OD2-NH1 3.96Å; D240-R255 PolarHBondContact OD2-NH1 2.94Å
241T91.9Very high89.6Confident86 Ų8682 Ų8253%0.52841%0.405SS..Hα-helixtrans-63.4-45.8176-55.40000111.6R237 T238 L239 N245R237-T241 WeakPolarHBondContact O-CB 3.33Å; R237-T241 PolarHBondContact O-N 3.39Å; R237-T241 PolarHBondContact O-OG1 3.27Å; T238-T241 PolarHBondContact O-N 3.09Å; L239-T241 VanDerWaalsContact C-N 3.3Å; L239-T241 PolarHBondContact O-N 3.37Å; T241-N245 VanDerWaalsContact O-CG 3.31Å; T241-N245 PolarHBondContact O-N 3.22Å; T241-N245 PolarHBondContact O-ND2 2.96Å
242L92Very high89.5Confident72 Ų7281.3 Ų81.338%0.37741%0.409SS..Hα-helixtrans-60.5-50.1178.4-178.869.2000111.3T238 L239 N245 L246 L263T238-L242 WeakPolarHBondContact O-CB 3.45Å; T238-L242 PolarHBondContact O-N 2.8Å; L239-L242 PolarHBondContact O-N 3.08Å; L242-N245 PolarHBondContact O-N 3.38Å; L242-L246 HydrophobicContact CD1-CD1 4.06Å; L242-L246 HydrophobicContact CG-CD1 3.86Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 3.25Å; L242-L246 VanDerWaalsContact O-N 3.13Å; L242-L263 HydrophobicContact CD2-CD1 4.38Å
243F92.4Very high89.6Confident0 Ų084.1 Ų84.10%042%0.422CS..Hα-helixtrans-73.1-31.9-177.1-62.7-38.2000113.3L239 N245 L246 I247 Y250 R255 L258 A259 I262 L263L239-F243 HydrophobicContact CB-CD2 4.35Å; L239-F243 HydrophobicContact CB-CE2 4.05Å; L239-F243 HydrophobicContact CD2-CE2 4.19Å; L239-F243 HydrophobicContact CD2-CZ 4.14Å; L239-F243 WeakPolarHBondContact O-CB 3Å; L239-F243 WeakPolarHBondContact O-CD2 3.34Å; L239-F243 WeakPolarHBondContact O-CG 3.04Å; L239-F243 PolarHBondContact O-N 3.33Å; F243-N245 PolarHBondContact O-N 3.13Å; F243-L246 HydrophobicContact CD1-CD1 4.37Å; F243-L246 PolarHBondContact O-N 3.16Å; F243-L246 VanDerWaalsContact O-N 3.16Å; F243-I247 PolarHBondContact O-N 3.12Å; F243-Y250 HydrophobicContact CB-CD1 4.35Å; F243-Y250 HydrophobicContact CB-CD2 3.42Å; F243-Y250 VanDerWaalsContact CB-CD2 3.42Å; F243-Y250 HydrophobicContact CB-CE1 4.27Å; F243-Y250 HydrophobicContact CB-CE2 3.31Å; F243-Y250 HydrophobicContact CB-CG 3.94Å; F243-Y250 AromaticContact CD2-CE2 3.73Å; F243-Y250 HydrophobicContact CD2-CE2 3.73Å; F243-Y250 HydrophobicContact CG-CD2 4.38Å; F243-Y250 AromaticContact CG-CE2 3.92Å; F243-Y250 HydrophobicContact CG-CE2 3.92Å; F243-R255 HydrophobicContact CD2-CG 4.31Å; F243-R255 HydrophobicContact CE2-CG 4.2Å; F243-L258 HydrophobicContact CD1-CB 4.43Å; F243-L258 HydrophobicContact CD2-CB 4.06Å; F243-L258 HydrophobicContact CD2-CD1 4.32Å; F243-L258 HydrophobicContact CE1-CB 4.15Å; F243-L258 HydrophobicContact CE2-CB 3.73Å; F243-L258 HydrophobicContact CG-CB 4.41Å; F243-L258 HydrophobicContact CG-CD1 4.33Å; F243-L258 HydrophobicContact CZ-CB 3.8Å; F243-A259 HydrophobicContact CE2-CB 4.3Å; F243-A259 HydrophobicContact CZ-CB 4.27Å; F243-I262 HydrophobicContact CD1-CD1 4.17Å; F243-I262 HydrophobicContact CE1-CB 4.44Å; F243-I262 HydrophobicContact CE1-CD1 3.81Å; F243-L263 HydrophobicContact CZ-CD1 4.33Å
244H91.5Very high89.4Confident125 Ų12584.4 Ų84.458%0.57942%0.422SS*.Hα-helixtrans-63.1-32.1172.1-165.869000112.2D240 Y250D240-H244 WeakPolarHBondContact O-CB 3.47Å; D240-H244 PolarHBondContact O-N 3.3Å; H244-Y250 HydrophobicContact CB-CD1 4.09Å
245N90.1Very high89.3Confident127 Ų12780.4 Ų80.468%0.67940%0.403SS*.Hα-helixtrans-79-23.9174.2-68.6-34.3000113.5T241 L242 F243T241-N245 VanDerWaalsContact O-CG 3.31Å; T241-N245 PolarHBondContact O-N 3.22Å; T241-N245 PolarHBondContact O-ND2 2.96Å; L242-N245 PolarHBondContact O-N 3.38Å; F243-N245 PolarHBondContact O-N 3.13Å
246L89Confident89.1Confident111 Ų11179.2 Ų79.258%0.58140%0.397SS*.Hα-helixtrans-94.2-28.3-177.5-70.7170000113.8L242 F243L242-L246 HydrophobicContact CD1-CD1 4.06Å; L242-L246 HydrophobicContact CG-CD1 3.86Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 3.25Å; L242-L246 VanDerWaalsContact O-N 3.13Å; F243-L246 HydrophobicContact CD1-CD1 4.37Å; F243-L246 PolarHBondContact O-N 3.16Å; F243-L246 VanDerWaalsContact O-N 3.16Å
247I87.6Confident88.9Confident58 Ų5881.4 Ų81.430%0.29742%0.416SS..  trans-128.9118.3-170.8-57.1171.3000109.7F243 N249 Y250 L258F243-I247 PolarHBondContact O-N 3.12Å; I247-N249 VanDerWaalsContact C-N 3.28Å; I247-N249 PolarHBondContact O-N 2.89Å; I247-Y250 WeakPolarHBondContact O-CB 3.38Å; I247-Y250 PolarHBondContact O-N 3.47Å; I247-L258 HydrophobicContact CD1-CD1 3.65Å; I247-L258 HydrophobicContact CD1-CD2 3.71Å; I247-L258 HydrophobicContact CD1-CG 4.31Å
248E83.4Confident88.7Confident188 Ų18876 Ų7688%0.87940%0.397SS*.THydrogen-bonded Turntrans-59.8-31.5-175.2-64.3179.5173.200114.2
249N87.4Confident88.4Confident144 Ų14472.8 Ų72.877%0.7738%0.378SS*.THydrogen-bonded Turntrans-114.442.3178.8-65.2-53.1000112.1I247 E251I247-N249 VanDerWaalsContact C-N 3.28Å; I247-N249 PolarHBondContact O-N 2.89Å; N249-E251 PolarHBondContact O-N 3.33Å
250Y91Very high88.1Confident30 Ų3074.5 Ų74.512%0.11839%0.389CS..  trans-64.4130.7179.2178-110.1000112.3D240 F243 H244 I247 R255 L258D240-Y250 HydrophobicContact CB-CE1 4.16Å; D240-Y250 WeakPolarHBondContact OD1-CE1 3.44Å; D240-Y250 PolarHBondContact OD1-OH 2.94Å; F243-Y250 HydrophobicContact CB-CD1 4.35Å; F243-Y250 HydrophobicContact CB-CD2 3.42Å; F243-Y250 VanDerWaalsContact CB-CD2 3.42Å; F243-Y250 HydrophobicContact CB-CE1 4.27Å; F243-Y250 HydrophobicContact CB-CE2 3.31Å; F243-Y250 HydrophobicContact CB-CG 3.94Å; F243-Y250 AromaticContact CD2-CE2 3.73Å; F243-Y250 HydrophobicContact CD2-CE2 3.73Å; F243-Y250 HydrophobicContact CG-CD2 4.38Å; F243-Y250 AromaticContact CG-CE2 3.92Å; F243-Y250 HydrophobicContact CG-CE2 3.92Å; H244-Y250 HydrophobicContact CB-CD1 4.09Å; I247-Y250 WeakPolarHBondContact O-CB 3.38Å; I247-Y250 PolarHBondContact O-N 3.47Å; Y250-R255 WeakPolarHBondContact OH-CA 3.35Å; Y250-R255 WeakPolarHBondContact OH-CB 3.22Å; Y250-R255 WeakPolarHBondContact OH-CG 3.36Å; Y250-L258 HydrophobicContact CD2-CD1 3.75Å; Y250-L258 HydrophobicContact CE2-CD1 3.63Å
251E88Confident87.8Confident95 Ų9580.2 Ų80.244%0.44442%0.415SS..  trans-122.6136.9167.7-67.2-171.8-129.300110.3N249 K253 F254N249-E251 PolarHBondContact O-N 3.33Å; E251-K253 HydrophobicContact CB-CD 4.35Å; E251-K253 HydrophobicContact CB-CG 3.95Å; E251-K253 VanDerWaalsContact CD-CE 3.4Å; E251-K253 PolarHBondContact O-N 3.41Å; E251-K253 WeakPolarHBondContact OE1-CE 3.32Å; E251-K253 IonicContact OE1-NZ 3.59Å; E251-K253 PolarHBondContact OE1-NZ 3.48Å; E251-K253 WeakPolarHBondContact OE2-CD 3.23Å; E251-K253 WeakPolarHBondContact OE2-CE 3.31Å; E251-K253 IonicContact OE2-NZ 2.72Å; E251-K253 PolarHBondContact OE2-NZ 2.89Å; E251-F254 HydrophobicContact CB-CD2 3.9Å; E251-F254 HydrophobicContact CB-CE2 4.15Å; E251-F254 PolarHBondContact O-N 2.97Å
252A86.3Confident87.4Confident54 Ų5480.3 Ų80.345%0.44641%0.411SS..G310 helixtrans-58-18.1-17900000114.3F254 R255A252-F254 PolarHBondContact O-N 3.48Å; A252-R255 WeakPolarHBondContact O-CB 3.39Å; A252-R255 PolarHBondContact O-N 2.9Å
253K87.4Confident87.1Confident109 Ų10980.8 Ų80.847%0.47441%0.414SS..G310 helixtrans-65.3-25.1173.772.1-171.4-177.3-154.90113.1E251E251-K253 HydrophobicContact CB-CD 4.35Å; E251-K253 HydrophobicContact CB-CG 3.95Å; E251-K253 VanDerWaalsContact CD-CE 3.4Å; E251-K253 PolarHBondContact O-N 3.41Å; E251-K253 WeakPolarHBondContact OE1-CE 3.32Å; E251-K253 IonicContact OE1-NZ 3.59Å; E251-K253 PolarHBondContact OE1-NZ 3.48Å; E251-K253 WeakPolarHBondContact OE2-CD 3.23Å; E251-K253 WeakPolarHBondContact OE2-CE 3.31Å; E251-K253 IonicContact OE2-NZ 2.72Å; E251-K253 PolarHBondContact OE2-NZ 2.89Å
254F85.1Confident86.6Confident95 Ų9583.7 Ų83.742%0.41744%0.444SS..G310 helixtrans-93.3-6.1179.5-59.2-59.9000113.1E251 A252 D256 S257 L258E251-F254 HydrophobicContact CB-CD2 3.9Å; E251-F254 HydrophobicContact CB-CE2 4.15Å; E251-F254 PolarHBondContact O-N 2.97Å; A252-F254 PolarHBondContact O-N 3.48Å; F254-D256 VanDerWaalsContact C-N 3.35Å; F254-D256 PolarHBondContact O-N 3.46Å; F254-S257 WeakPolarHBondContact O-CB 3.49Å; F254-S257 PolarHBondContact O-N 2.9Å; F254-L258 HydrophobicContact CB-CD1 3.82Å; F254-L258 HydrophobicContact CB-CG 4.19Å; F254-L258 WeakPolarHBondContact O-CB 3.4Å; F254-L258 WeakPolarHBondContact O-CG 3.37Å; F254-L258 PolarHBondContact O-N 3.22Å
255R86.9Confident85.9Confident24 Ų2481.7 Ų81.79%0.09144%0.436CS..Hα-helixtrans-47.2-54.4-175.2-172.5-178.352.1-121.4-10.5112.8H236 L239 D240 F243 Y250 A252 S257 L258 A259H236-R255 PolarHBondContact CE1-NH2 3.5Å; H236-R255 VanDerWaalsContact CE1-NH2 3.33Å; H236-R255 VanDerWaalsContact CG-CZ 3.47Å; H236-R255 PolarHBondContact ND1-NH2 3.46Å; H236-R255 VanDerWaalsContact ND1-NH2 3.17Å; L239-R255 HydrophobicContact CB-CG 3.97Å; L239-R255 HydrophobicContact CD1-CG 4.33Å; D240-R255 WeakPolarHBondContact OD1-CD 3.47Å; D240-R255 IonicContact OD1-NH1 2.81Å; D240-R255 IonicContact OD2-NH1 3.96Å; D240-R255 PolarHBondContact OD2-NH1 2.94Å; F243-R255 HydrophobicContact CD2-CG 4.31Å; F243-R255 HydrophobicContact CE2-CG 4.2Å; Y250-R255 WeakPolarHBondContact OH-CA 3.35Å; Y250-R255 WeakPolarHBondContact OH-CB 3.22Å; Y250-R255 WeakPolarHBondContact OH-CG 3.36Å; A252-R255 WeakPolarHBondContact O-CB 3.39Å; A252-R255 PolarHBondContact O-N 2.9Å; R255-S257 VanDerWaalsContact C-N 3.3Å; R255-S257 PolarHBondContact O-N 3.38Å; R255-L258 PolarHBondContact O-N 2.92Å; R255-A259 WeakPolarHBondContact O-CB 3.44Å; R255-A259 PolarHBondContact O-N 3.49Å
256D84.9Confident85Confident54 Ų5480.1 Ų80.129%0.28944%0.435SS..Hα-helixtrans-71-30.7-173.5-56.4-15.8000111.4F254 T260F254-D256 VanDerWaalsContact C-N 3.35Å; F254-D256 PolarHBondContact O-N 3.46Å; D256-T260 WeakPolarHBondContact O-CB 3.43Å; D256-T260 PolarHBondContact O-N 3.19Å; D256-T260 VanDerWaalsContact O-N 3.09Å; D256-T260 PolarHBondContact O-OG1 2.96Å
257S85.7Confident83.7Confident74 Ų7478.5 Ų78.552%0.51743%0.433SS..Hα-helixtrans-69.2-46.2174-600000110.9F254 R255 T260 E261F254-S257 WeakPolarHBondContact O-CB 3.49Å; F254-S257 PolarHBondContact O-N 2.9Å; R255-S257 VanDerWaalsContact C-N 3.3Å; R255-S257 PolarHBondContact O-N 3.38Å; S257-T260 WeakPolarHBondContact O-CB 3.16Å; S257-T260 PolarHBondContact O-N 2.96Å; S257-E261 WeakPolarHBondContact O-CB 3.23Å; S257-E261 PolarHBondContact O-N 3.35Å
258L86Confident82.3Confident25 Ų2582.5 Ų82.513%0.13145%0.445CS..Hα-helixtrans-67-38.8177.2-70.7167.7000112.1F243 I247 Y250 F254 R255 T260 E261 I262F243-L258 HydrophobicContact CD1-CB 4.43Å; F243-L258 HydrophobicContact CD2-CB 4.06Å; F243-L258 HydrophobicContact CD2-CD1 4.32Å; F243-L258 HydrophobicContact CE1-CB 4.15Å; F243-L258 HydrophobicContact CE2-CB 3.73Å; F243-L258 HydrophobicContact CG-CB 4.41Å; F243-L258 HydrophobicContact CG-CD1 4.33Å; F243-L258 HydrophobicContact CZ-CB 3.8Å; I247-L258 HydrophobicContact CD1-CD1 3.65Å; I247-L258 HydrophobicContact CD1-CD2 3.71Å; I247-L258 HydrophobicContact CD1-CG 4.31Å; Y250-L258 HydrophobicContact CD2-CD1 3.75Å; Y250-L258 HydrophobicContact CE2-CD1 3.63Å; F254-L258 HydrophobicContact CB-CD1 3.82Å; F254-L258 HydrophobicContact CB-CG 4.19Å; F254-L258 WeakPolarHBondContact O-CB 3.4Å; F254-L258 WeakPolarHBondContact O-CG 3.37Å; F254-L258 PolarHBondContact O-N 3.22Å; R255-L258 PolarHBondContact O-N 2.92Å; L258-T260 VanDerWaalsContact C-N 3.25Å; L258-T260 PolarHBondContact O-N 2.96Å; L258-E261 PolarHBondContact O-N 3.49Å; L258-I262 HydrophobicContact CB-CD1 4.27Å; L258-I262 HydrophobicContact CD2-CD1 3.96Å; L258-I262 VanDerWaalsContact O-CB 3.25Å; L258-I262 WeakPolarHBondContact O-CB 3.43Å; L258-I262 WeakPolarHBondContact O-CG1 3.18Å; L258-I262 PolarHBondContact O-N 3.04Å
259A86.5Confident81.3Confident5 Ų578.3 Ų78.34%0.04143%0.428CS..Hα-helixtrans-60.2-38.117200000111.7L239 F243 R255 L263 G264 L265L239-A259 HydrophobicContact CD1-CB 4.09Å; F243-A259 HydrophobicContact CE2-CB 4.3Å; F243-A259 HydrophobicContact CZ-CB 4.27Å; R255-A259 WeakPolarHBondContact O-CB 3.44Å; R255-A259 PolarHBondContact O-N 3.49Å; A259-L263 CarbonylContact O-C 3.51Å; A259-L263 WeakPolarHBondContact O-CA 3.39Å; A259-L263 WeakPolarHBondContact O-CB 3.41Å; A259-L263 PolarHBondContact O-N 3.09Å; A259-G264 PolarHBondContact O-N 3.32Å; A259-L265 HydrophobicContact CB-CB 4.27Å; A259-L265 HydrophobicContact CB-CD1 4.06Å; A259-L265 PolarHBondContact O-N 3.07Å
260T86Confident80.3Confident52 Ų5273.8 Ų73.832%0.31941%0.407SS..Hα-helixtrans-71.1-42175.1-50.90000112.3D256 S257 L258 G264 L265 S267D256-T260 WeakPolarHBondContact O-CB 3.43Å; D256-T260 PolarHBondContact O-N 3.19Å; D256-T260 VanDerWaalsContact O-N 3.09Å; D256-T260 PolarHBondContact O-OG1 2.96Å; S257-T260 WeakPolarHBondContact O-CB 3.16Å; S257-T260 PolarHBondContact O-N 2.96Å; L258-T260 VanDerWaalsContact C-N 3.25Å; L258-T260 PolarHBondContact O-N 2.96Å; T260-G264 VanDerWaalsContact O-CA 3.29Å; T260-G264 WeakPolarHBondContact O-CA 3.43Å; T260-G264 PolarHBondContact O-N 2.85Å; T260-L265 WeakPolarHBondContact CA-O 3.46Å; T260-L265 WeakPolarHBondContact CB-O 3.33Å; T260-L265 WeakPolarHBondContact CG2-O 3.24Å; T260-L265 PolarHBondContact OG1-O 2.7Å; T260-S267 WeakPolarHBondContact OG1-CB 3.5Å; T260-S267 PolarHBondContact OG1-N 2.83Å
261E84.9Confident79.1Confident157 Ų15780.7 Ų80.773%0.73444%0.438SS*.Hα-helixtrans-76.8-44.3-175.2-173.7174.1-176.200113S257 L258S257-E261 WeakPolarHBondContact O-CB 3.23Å; S257-E261 PolarHBondContact O-N 3.35Å; L258-E261 PolarHBondContact O-N 3.49Å
262I83.6Confident77.7Confident87 Ų8780.2 Ų80.245%0.44644%0.443SS..Hα-helixtrans-89.3-45.2-173.2-59.5173.9000111.2F243 L258F243-I262 HydrophobicContact CD1-CD1 4.17Å; F243-I262 HydrophobicContact CE1-CB 4.44Å; F243-I262 HydrophobicContact CE1-CD1 3.81Å; L258-I262 HydrophobicContact CB-CD1 4.27Å; L258-I262 HydrophobicContact CD2-CD1 3.96Å; L258-I262 VanDerWaalsContact O-CB 3.25Å; L258-I262 WeakPolarHBondContact O-CB 3.43Å; L258-I262 WeakPolarHBondContact O-CG1 3.18Å; L258-I262 PolarHBondContact O-N 3.04Å
263L84.9Confident76.7Confident83 Ų8384.7 Ų84.744%0.43546%0.459SS..SBendtrans-101.1-5.7-173.8-57.4175.2000113L239 L242 F243 A259 L265L239-L263 HydrophobicContact CD2-CD1 3.37Å; L242-L263 HydrophobicContact CD2-CD1 4.38Å; F243-L263 HydrophobicContact CZ-CD1 4.33Å; A259-L263 CarbonylContact O-C 3.51Å; A259-L263 WeakPolarHBondContact O-CA 3.39Å; A259-L263 WeakPolarHBondContact O-CB 3.41Å; A259-L263 PolarHBondContact O-N 3.09Å; L263-L265 HydrophobicContact CB-CD1 4.15Å; L263-L265 HydrophobicContact CB-CG 3.9Å; L263-L265 HydrophobicContact CD1-CD1 4Å; L263-L265 PolarHBondContact O-N 3.42Å
264G81.7Confident75.8Confident61 Ų6180.7 Ų80.763%0.62945%0.445SS*.  trans66.716.5-175.400000113.8A259 T260 S266A259-G264 PolarHBondContact O-N 3.32Å; T260-G264 VanDerWaalsContact O-CA 3.29Å; T260-G264 WeakPolarHBondContact O-CA 3.43Å; T260-G264 PolarHBondContact O-N 2.85Å; G264-S266 PolarHBondContact O-N 3.04Å
265L76.8Confident74.7Confident82 Ų8282.6 Ų82.643%0.42946%0.46SS..  trans-71.1123.6177.8-64.7176000109.2L239 A259 T260 L263 S267L239-L265 HydrophobicContact CD1-CD1 4.41Å; L239-L265 HydrophobicContact CD2-CD1 4.47Å; A259-L265 HydrophobicContact CB-CB 4.27Å; A259-L265 HydrophobicContact CB-CD1 4.06Å; A259-L265 PolarHBondContact O-N 3.07Å; T260-L265 WeakPolarHBondContact CA-O 3.46Å; T260-L265 WeakPolarHBondContact CB-O 3.33Å; T260-L265 WeakPolarHBondContact CG2-O 3.24Å; T260-L265 PolarHBondContact OG1-O 2.7Å; L263-L265 HydrophobicContact CB-CD1 4.15Å; L263-L265 HydrophobicContact CB-CG 3.9Å; L263-L265 HydrophobicContact CD1-CD1 4Å; L263-L265 PolarHBondContact O-N 3.42Å; L265-S267 PolarHBondContact O-N 3.22Å; L265-S267 VanDerWaalsContact O-N 3.14Å
266S71.2Confident73.4Confident94 Ų9485 Ų8566%0.65747%0.471SS*.  trans-61.5121.1178.755.90000111.3G264 R268G264-S266 PolarHBondContact O-N 3.04Å; S266-R268 PolarHBondContact O-N 2.93Å; S266-R268 VanDerWaalsContact O-N 3.12Å
267S63.5Low72.5Confident77 Ų7783.7 Ų83.754%0.53847%0.466SS..SBendtrans-57-24.4172.257.30000113.8T260 L265 L269T260-S267 WeakPolarHBondContact OG1-CB 3.5Å; T260-S267 PolarHBondContact OG1-N 2.83Å; L265-S267 PolarHBondContact O-N 3.22Å; L265-S267 VanDerWaalsContact O-N 3.14Å; S267-L269 PolarHBondContact O-N 3.38Å
268R57.9Low71.3Confident142 Ų14282.7 Ų82.754%0.53646%0.458SS..  trans-83104.7176.2-66.7-173175.4-129-10.7109.7S266 C270S266-R268 PolarHBondContact O-N 2.93Å; S266-R268 VanDerWaalsContact O-N 3.12Å; R268-C270 PolarHBondContact O-N 3.4Å
269L61.4Low69.8Low101 Ų10185.6 Ų85.653%0.52947%0.474SS..  trans-64.7-19.9177.3-69.8156.3000113.3R232 S267R232-L269 VanDerWaalsContact NH2-CD1 3.34Å; S267-L269 PolarHBondContact O-N 3.38Å
270C66.2Low68.3Low49 Ų4987 Ų8733%0.33148%0.481SS..SBendtrans-166.5178.7172.5-153.20000111.6R268 C274 C277R268-C270 PolarHBondContact O-N 3.4Å; C270-C274 HydrophobicContact CB-CB 3.53Å; C270-C274 WeakPolarHBondContact CB-SG 3.19Å; C270-C274 WeakPolarHBondContact SG-CB 3.36Å; C270-C274 CovalentContact SG-SG 2.06Å; C270-C274 PolarHBondContact SG-SG 3.09Å; C270-C277 HydrophobicContact CB-CB 3.55Å; C270-C277 WeakPolarHBondContact CB-SG 3.35Å; C270-C277 VanDerWaalsContact SG-SG 3.7Å
271F65.7Low66.8Low174 Ų17485.8 Ų85.876%0.76347%0.472SS*.  trans-59.7148.5161.7-66.4-80.2000110.6D273 C274F271-D273 PolarHBondContact O-N 2.86Å; F271-C274 WeakPolarHBondContact O-CB 3.35Å; F271-C274 PolarHBondContact O-N 3.44Å; F271-C274 VanDerWaalsContact O-N 3.14Å
272P58.9Low65.3Low85 Ų8581.9 Ų81.955%0.55246%0.459SS*.THydrogen-bonded Turntrans-60.4-27.8-178.223.6-33.4000113.6C274P272-C274 VanDerWaalsContact C-N 3.29Å; P272-C274 PolarHBondContact O-N 3.15Å
273D64.8Low63.5Low148 Ų14886.8 Ų86.879%0.79147%0.472SS*.THydrogen-bonded Turntrans-92.219.4-179.3-54.9-43.6000113.3F271 D275F271-D273 PolarHBondContact O-N 2.86Å; D273-D275 PolarHBondContact O-N 3.14Å
274C70.1Confident61.7Low25 Ų2589 Ų8917%0.16949%0.485CS..  trans-84.593.6-174.7-176.60000110.9C270 F271 P272 F276 C277 S278C270-C274 HydrophobicContact CB-CB 3.53Å; C270-C274 WeakPolarHBondContact CB-SG 3.19Å; C270-C274 WeakPolarHBondContact SG-CB 3.36Å; C270-C274 CovalentContact SG-SG 2.06Å; C270-C274 PolarHBondContact SG-SG 3.09Å; F271-C274 WeakPolarHBondContact O-CB 3.35Å; F271-C274 PolarHBondContact O-N 3.44Å; F271-C274 VanDerWaalsContact O-N 3.14Å; P272-C274 VanDerWaalsContact C-N 3.29Å; P272-C274 PolarHBondContact O-N 3.15Å; C274-F276 PolarHBondContact O-N 3.15Å; C274-C277 HydrophobicContact CB-CB 4.29Å; C274-C277 PolarHBondContact O-N 3.37Å; C274-S278 PolarHBondContact O-N 3.14Å; C274-S278 PolarHBondContact O-OG 2.9Å
275D60.9Low60.2Low136 Ų13687.5 Ų87.573%0.72746%0.461SS*.Hα-helixtrans-48.1-34.3177.2-70.9-26.2000113D273D273-D275 PolarHBondContact O-N 3.14Å
276F59.6Low58.7Low75 Ų7589.1 Ų89.133%0.32946%0.462SS..Hα-helixtrans-70.7-40-178.8-164.8-99.8000113.1K225 L228 C274 L280K225-F276 HydrophobicContact CG-CE2 4.16Å; K225-F276 HydrophobicContact CG-CZ 4.17Å; L228-F276 HydrophobicContact CD1-CE1 3.65Å; L228-F276 HydrophobicContact CD1-CZ 3.78Å; C274-F276 PolarHBondContact O-N 3.15Å; F276-L280 HydrophobicContact CD1-CD1 3.72Å; F276-L280 HydrophobicContact CE1-CD1 3.58Å; F276-L280 HydrophobicContact CE1-CG 4.5Å; F276-L280 HydrophobicContact CZ-CD1 4.49Å; F276-L280 WeakPolarHBondContact O-CG 3.1Å; F276-L280 PolarHBondContact O-N 2.92Å
277C65.3Low57.3Low26 Ų2690.8 Ų90.818%0.17645%0.454CS..Hα-helixtrans-84.6-29.4-177.9-68.70000112.6C270 C274 D279 L280 L281C270-C277 HydrophobicContact CB-CB 3.55Å; C270-C277 WeakPolarHBondContact CB-SG 3.35Å; C270-C277 VanDerWaalsContact SG-SG 3.7Å; C274-C277 HydrophobicContact CB-CB 4.29Å; C274-C277 PolarHBondContact O-N 3.37Å; C277-D279 PolarHBondContact O-N 2.94Å; C277-L280 PolarHBondContact O-N 3.13Å; C277-L280 VanDerWaalsContact O-N 3.12Å; C277-L281 WeakPolarHBondContact O-CD1 3.44Å; C277-L281 WeakPolarHBondContact O-CG 3.36Å; C277-L281 PolarHBondContact O-N 2.72Å; C277-L281 VanDerWaalsContact O-N 3.1Å
278S61.3Low56.4Low52 Ų5294 Ų9436%0.36445%0.454SS..Hα-helixtrans-53.6-36.7169.6-64.10000112.3C274 R286C274-S278 PolarHBondContact O-N 3.14Å; C274-S278 PolarHBondContact O-OG 2.9Å; S278-R286 PolarHBondContact O-NE 2.84Å; S278-R286 PolarHBondContact O-NH2 3.43Å
279D55.2Low56Low87 Ų8790.5 Ų90.547%0.46545%0.449SS..Hα-helixtrans-77.4-33.4177.5-79.5-12.8000114K225 C277K225-D279 IonicContact NZ-OD2 3.99Å; K225-D279 PolarHBondContact NZ-OD2 3.41Å; C277-D279 PolarHBondContact O-N 2.94Å
280L54Low55.2Low33 Ų3392.1 Ų92.117%0.17345%0.454CS..Hα-helixtrans-77.7-23-178.8-72169000113.1K225 L228 I229 F276 C277 T282K225-L280 HydrophobicContact CB-CD2 4.27Å; K225-L280 HydrophobicContact CG-CD2 4.37Å; L228-L280 HydrophobicContact CB-CD2 4.42Å; I229-L280 HydrophobicContact CD1-CD2 4.26Å; I229-L280 HydrophobicContact CG1-CD2 3.8Å; F276-L280 HydrophobicContact CD1-CD1 3.72Å; F276-L280 HydrophobicContact CE1-CD1 3.58Å; F276-L280 HydrophobicContact CE1-CG 4.5Å; F276-L280 HydrophobicContact CZ-CD1 4.49Å; F276-L280 WeakPolarHBondContact O-CG 3.1Å; F276-L280 PolarHBondContact O-N 2.92Å; C277-L280 PolarHBondContact O-N 3.13Å; C277-L280 VanDerWaalsContact O-N 3.12Å; L280-T282 PolarHBondContact O-N 3.34Å
281L55.7Low53.8Low28 Ų2894.5 Ų94.515%0.14746%0.463CS..SBendtrans-65.7114.5172.8-72.2152.5000108.7C277 E285 R286C277-L281 WeakPolarHBondContact O-CD1 3.44Å; C277-L281 WeakPolarHBondContact O-CG 3.36Å; C277-L281 PolarHBondContact O-N 2.72Å; C277-L281 VanDerWaalsContact O-N 3.1Å; L281-E285 HydrophobicContact CB-CB 4.18Å; L281-E285 HydrophobicContact CD2-CB 3.49Å; L281-E285 VanDerWaalsContact CD2-CB 3.49Å; L281-E285 HydrophobicContact CD2-CG 4.47Å; L281-E285 HydrophobicContact CG-CB 4.46Å; L281-R286 HydrophobicContact CB-CG 3.71Å; L281-R286 PolarHBondContact O-NE 3Å
282T52.4Low52.5Low74 Ų7493.2 Ų93.245%0.45446%0.459SS..  trans-54.6152.8166.649.20000109.2L280 D284 E285 R286L280-T282 PolarHBondContact O-N 3.34Å; T282-D284 PolarHBondContact O-N 3.26Å; T282-E285 PolarHBondContact O-N 3.17Å; T282-E285 WeakPolarHBondContact OG1-CG 3.48Å; T282-R286 PolarHBondContact O-N 2.9Å
283R47.1Very low51.7Low190 Ų19093.5 Ų93.572%0.71746%0.456SS*.Hα-helixtrans-49.2-35.5-175.1-170.5-180177-178.6-1.4112.6Y287R283-Y287 HydrophobicContact CG-CE2 4.11Å; R283-Y287 WeakPolarHBondContact O-CD2 3.36Å; R283-Y287 WeakPolarHBondContact O-CE2 3.34Å
284D47Very low50.7Low131 Ų13193 Ų9370%0.70145%0.453SS*.Hα-helixtrans-70.1-33.7177.4-74.5-31.5000114.2T282T282-D284 PolarHBondContact O-N 3.26Å
285E48.7Very low48.9Very low29 Ų2997 Ų9714%0.13648%0.48CS..Hα-helixtrans-77.1-30-179.4-68.1-96.1135.600112.5R232 L281 T282 Y287 R288 T289R232-E285 IonicContact CZ-OE2 3.48Å; R232-E285 IonicContact NH1-OE2 2.99Å; R232-E285 PolarHBondContact NH1-OE2 3.37Å; R232-E285 IonicContact NH2-OE1 3.74Å; R232-E285 IonicContact NH2-OE2 2.63Å; R232-E285 PolarHBondContact NH2-OE2 3.31Å; L281-E285 HydrophobicContact CB-CB 4.18Å; L281-E285 HydrophobicContact CD2-CB 3.49Å; L281-E285 VanDerWaalsContact CD2-CB 3.49Å; L281-E285 HydrophobicContact CD2-CG 4.47Å; L281-E285 HydrophobicContact CG-CB 4.46Å; T282-E285 PolarHBondContact O-N 3.17Å; T282-E285 WeakPolarHBondContact OG1-CG 3.48Å; E285-Y287 VanDerWaalsContact C-N 3.26Å; E285-Y287 PolarHBondContact O-N 2.91Å; E285-R288 PolarHBondContact O-N 3.34Å; E285-T289 PolarHBondContact O-N 3.24Å; E285-T289 VanDerWaalsContact O-N 3.09Å; E285-T289 PolarHBondContact O-OG1 2.96Å
286R45.4Very low47.5Very low116 Ų11699 Ų9944%0.43848%0.477SS..Hα-helixtrans-60.4-37.5173.8-66.3-173.5-175.4161.82.2112S278 L281 T282 R288 Q290S278-R286 PolarHBondContact O-NE 2.84Å; S278-R286 PolarHBondContact O-NH2 3.43Å; L281-R286 HydrophobicContact CB-CG 3.71Å; L281-R286 PolarHBondContact O-NE 3Å; T282-R286 PolarHBondContact O-N 2.9Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-Q290 PolarHBondContact O-N 2.97Å
287Y42Very low46.5Very low129 Ų129100.7 Ų100.751%0.50650%0.496SS..Hα-helixtrans-67.8-32.9174.8-69.7-71.1000111.7R283 E285 N291R283-Y287 HydrophobicContact CG-CE2 4.11Å; R283-Y287 WeakPolarHBondContact O-CD2 3.36Å; R283-Y287 WeakPolarHBondContact O-CE2 3.34Å; E285-Y287 VanDerWaalsContact C-N 3.26Å; E285-Y287 PolarHBondContact O-N 2.91Å; Y287-N291 PolarHBondContact O-N 2.9Å; Y287-N291 PolarHBondContact O-ND2 3.05Å
288R45.7Very low45Very low143 Ų143106 Ų10654%0.5452%0.523SS..Hα-helixtrans-72.4-42.2178.8-75.8-168.4171.3167.9-1.2113.2E285 R286 N291 H292E285-R288 PolarHBondContact O-N 3.34Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R288-N291 PolarHBondContact O-N 2.9Å; R288-H292 PolarHBondContact O-CD2 3.22Å; R288-H292 PolarHBondContact O-N 3.03Å; R288-H292 VanDerWaalsContact O-N 3.15Å
289T48.8Very low43.5Very low69 Ų69108.7 Ų108.742%0.42354%0.541SS..Hα-helixtrans-68.7-40.7179.114.60000112.2E285 N291 H292 D293E285-T289 PolarHBondContact O-N 3.24Å; E285-T289 VanDerWaalsContact O-N 3.09Å; E285-T289 PolarHBondContact O-OG1 2.96Å; T289-N291 VanDerWaalsContact C-N 3.31Å; T289-N291 PolarHBondContact O-N 3.4Å; T289-H292 PolarHBondContact O-N 3.06Å; T289-D293 PolarHBondContact O-N 3.23Å
290Q45.1Very low42.4Very low136 Ų136113.3 Ų113.364%0.63655%0.554SS**Hα-helixtrans-62.4-35.8174.4-84.5-174.9-7.400113.2R286 D293 L294R286-Q290 PolarHBondContact O-N 2.97Å; Q290-D293 PolarHBondContact O-N 2.91Å; Q290-L294 PolarHBondContact O-N 3.23Å
291N35.8Very low41.7Very low98 Ų98117.7 Ų117.752%0.52458%0.584SS.*Hα-helixtrans-71.8-32177-77.5-49.9000112.7Y287 R288 T289 D293 L294 C295Y287-N291 PolarHBondContact O-N 2.9Å; Y287-N291 PolarHBondContact O-ND2 3.05Å; R288-N291 PolarHBondContact O-N 2.9Å; T289-N291 VanDerWaalsContact C-N 3.31Å; T289-N291 PolarHBondContact O-N 3.4Å; N291-D293 VanDerWaalsContact C-N 3.34Å; N291-D293 PolarHBondContact O-N 3.48Å; N291-L294 PolarHBondContact O-N 3.14Å; N291-C295 PolarHBondContact O-N 3.44Å
292H40Very low40.6Very low147 Ų147121.6 Ų121.668%0.68161%0.614SS**Hα-helixtrans-67.5-32.1174.8-88.2-60.3000113.2R288 T289 C295R288-H292 PolarHBondContact O-CD2 3.22Å; R288-H292 PolarHBondContact O-N 3.03Å; R288-H292 VanDerWaalsContact O-N 3.15Å; T289-H292 PolarHBondContact O-N 3.06Å; H292-C295 PolarHBondContact O-N 3.05Å
293D42.1Very low39.6Very low92 Ų92128.8 Ų128.849%0.49263%0.633SS.*Hα-helixtrans-72.9-25.8175.5-79.6-31.8000113T289 Q290 N291 C295T289-D293 PolarHBondContact O-N 3.23Å; Q290-D293 PolarHBondContact O-N 2.91Å; N291-D293 VanDerWaalsContact C-N 3.34Å; N291-D293 PolarHBondContact O-N 3.48Å; D293-C295 VanDerWaalsContact C-N 3.35Å
294L42.3Very low38.8Very low137 Ų137127.7 Ų127.772%0.71764%0.64SS**Hα-helixtrans-72.9-24.6173.3-74.1162.3000113.3Q290 N291Q290-L294 PolarHBondContact O-N 3.23Å; N291-L294 PolarHBondContact O-N 3.14Å
295C33Very low38.1Very low109 Ų109127.9 Ų127.974%0.73665%0.646SS**THydrogen-bonded Turntrans-89.74.7178.8-76.10000114.2N291 H292 D293 P297N291-C295 PolarHBondContact O-N 3.44Å; H292-C295 PolarHBondContact O-N 3.05Å; D293-C295 VanDerWaalsContact C-N 3.35Å; C295-P297 WeakPolarHBondContact O-CD 3.49Å
296R31.8Very low37.3Very low177 Ų177131 Ų13167%0.66867%0.671SS**SBendtrans-82.8116.6167.8-159.6177.8-173.4-176.12108.1N298R296-N298 VanDerWaalsContact C-N 3.34Å; R296-N298 PolarHBondContact O-N 2.97Å
297P38.3Very low36.6Very low111 Ų111134.1 Ų134.172%0.72169%0.69SS**  trans-62.4102.8172.724.2-30.4000107.5C295 S299C295-P297 WeakPolarHBondContact O-CD 3.49Å; P297-S299 VanDerWaalsContact C-N 3.31Å; P297-S299 PolarHBondContact O-N 3.45Å; P297-S299 PolarHBondContact O-OG 2.97Å
298N34.7Very low35.9Very low139 Ų139135.6 Ų135.674%0.74371%0.705SS**  trans-66.194.9-177.3-147.5-0.9000107.3R296 Y300R296-N298 VanDerWaalsContact C-N 3.34Å; R296-N298 PolarHBondContact O-N 2.97Å; N298-Y300 PolarHBondContact O-N 2.86Å
299S28.7Very low35.1Very low108 Ų108134.4 Ų134.476%0.75572%0.716SS**  trans-83.766.5175.116.40000107.9P297P297-S299 VanDerWaalsContact C-N 3.31Å; P297-S299 PolarHBondContact O-N 3.45Å; P297-S299 PolarHBondContact O-OG 2.97Å
300Y32.3Very low34.2Very low183 Ų183136 Ų13672%0.71873%0.73SS**  trans-130.2120.1162-81.7-77.5000108.5N298 S302N298-Y300 PolarHBondContact O-N 2.86Å; Y300-S302 PolarHBondContact O-N 3.39Å
301P38.8Very low33.4Very low125 Ų125136.8 Ų136.881%0.81274%0.739SS**  trans-79.273.2175.733.6-31.5000108.7R303P301-R303 VanDerWaalsContact C-N 3.26Å; P301-R303 PolarHBondContact O-N 3.48Å
302S33.5Very low33Very low111 Ų111138.4 Ų138.478%0.77676%0.756SS**  trans-81.684168.5-76.20000109Y300 L304Y300-S302 PolarHBondContact O-N 3.39Å; S302-L304 PolarHBondContact O-N 2.74Å
303R29.9Very low32.5Very low225 Ų225137 Ų13785%0.84976%0.76SS**  trans10.5105.4144.9-68.8-177.6166.7-160.2-4.2115.1P301 V305P301-R303 VanDerWaalsContact C-N 3.26Å; P301-R303 PolarHBondContact O-N 3.48Å; R303-V305 PolarHBondContact O-N 2.59Å
304L30.3Very low31.8Very low166 Ų166137.1 Ų137.187%0.86977%0.768SS**  16.284.4126.6-64.9167.7000114.6S302S302-L304 PolarHBondContact O-N 2.74Å
305V33.2Very low31.5Very low136 Ų136136.6 Ų136.682%0.82477%0.773SS**  trans-111.584.2139.9-179.80000105.3R303 Q307R303-V305 PolarHBondContact O-N 2.59Å; V305-Q307 PolarHBondContact O-N 3.02Å
306S30.9Very low31.1Very low94 Ų94140.3 Ų140.366%0.65778%0.777SS**  trans-46.710216737.30000110.6I308S306-I308 PolarHBondContact O-N 3.16Å
307Q31.2Very low31.6Very low182 Ų182137.2 Ų137.285%0.8578%0.78SS**  trans-72.2116152.4-70-175.2-2.700106.6V305 P309V305-Q307 PolarHBondContact O-N 3.02Å; Q307-P309 WeakPolarHBondContact O-CD 3.36Å
308I28.4Very low31.7Very low159 Ų159136.8 Ų136.882%0.81578%0.777SS**  trans-52.8114.4-175.9-62.6157.8000110.1S306S306-I308 PolarHBondContact O-N 3.16Å
309P28.5Very low31.6Very low118 Ų118139 Ų13977%0.76678%0.783SS**  trans-87.7119166.13.216.6000108.4Q307 N311Q307-P309 WeakPolarHBondContact O-CD 3.36Å; P309-N311 PolarHBondContact O-N 2.91Å
310S30.6Very low31.5Very low104 Ų104141.1 Ų141.173%0.72778%0.784SS**  trans-70.7119.8172.166.20000110.2
311N27Very low31.4Very low151 Ų151138.1 Ų138.181%0.80779%0.79SS**  trans44.1104.6144.8-59.9-4.3000118.1P309P309-N311 PolarHBondContact O-N 2.91Å
312C28.7Very low30.7Very low133 Ų133137.9 Ų137.990%0.89979%0.786SS**  -165.8150.4127-100.20000110.5
313P29.5Very low30.5Very low116 Ų116138.1 Ų138.175%0.75379%0.788SS**  trans-95.1155.6-146.136-33.5000115.1
314S25.9Very low30.2Very low96 Ų96136.7 Ų136.767%0.67179%0.789SS**  trans-42.1149.5166.2500000115.2
315P35.8Very low30.4Very low126 Ų126134.8 Ų134.882%0.81879%0.786SS**  -141.7139.397.332.3-14.6000115.5
316F26.2Very low29.9Very low186 Ų186133.5 Ų133.582%0.81678%0.783SS**  trans-57.5-176.7160.7-78.2-79.5000114
317P40.6Very low29.9Very low112 Ų112137 Ų13773%0.72779%0.794SS**  cis-137.9-139-19.729.1-1.3000111.7
318P41.8Very low29.6Very low103 Ų103135.5 Ų135.567%0.66979%0.792SS**  -138-170.7-89.346.4-28000115.9
319Q31.2Very low29.8Very low186 Ų186134.6 Ų134.687%0.86979%0.794SS**  trans97.4135.1145-77.1-170.414.100122.3
320I27.9Very low29.7Very low151 Ų151133.2 Ų133.277%0.77479%0.793SS**  trans-98.5136.2-170.7-62.7159.5000107.5
321S29.1Very low29.6Very low121 Ų121139.7 Ų139.785%0.84680%0.802SS**  trans-134.9111.8164.6-720000110
322T25.2Very low29.4Very low119 Ų119137.2 Ų137.273%0.7380%0.796SS**  trans-81.3128.716833.20000110.3
323S28.3Very low29.3Very low117 Ų117138.5 Ų138.582%0.81879%0.793SS**  trans-128120.2166.144.90000110.3
324F25Very low29.1Very low195 Ų195138.8 Ų138.886%0.85579%0.793SS**PPolyproline II helixtrans-86.9137.7172.4-73.3-92.9000109.9
325P33Very low29Very low125 Ų125139 Ų13981%0.81280%0.795SS**PPolyproline II helixtrans-95.5121.6169.531.7-26.4000112.2
326S23.8Very low28.7Very low110 Ų110140.4 Ų140.477%0.76980%0.795SS**PPolyproline II helixtrans-77.4139156.8-86.50000109.5
327N30.6Very low28.7Very low166 Ų166135.7 Ų135.789%0.88879%0.791SS**  trans-151.3101.5153-91.5-24.1000109.8
328D25.3Very low27.9Very low151 Ų151136 Ų13681%0.80780%0.795SS**  trans-68.6141.7151.7-75.2-51.8000109.2
329T32Very low27.2Very low140 Ų140140.8 Ų140.886%0.85980%0.802SS**  163.4120.9122.8-59.70000110.1
330A25.6Very low27Very low90 Ų90138.3 Ų138.374%0.74479%0.793SS**  trans-78.8140.6173.200000113.3
331R28.5Very low26.8Very low240 Ų240134.2 Ų134.291%0.90679%0.788SS**  trans-170.6100.8151.8-114.4179.1179.1171.80.1106.6
332S22.7Very low26.9Very low99 Ų99134.8 Ų134.869%0.69279%0.786SS**  64.5119.779.8-67.20000115.6
333L26.7Very low27Very low160 Ų160135.3 Ų135.384%0.83879%0.789SS**  trans75.7136.4149.1-59.4152.6000115.2
334T26Very low27Very low121 Ų121136.1 Ų136.174%0.74278%0.784SS**  cis-172.8154.221.211.10000110.4
335S24.7Very low27.1Very low102 Ų102134.3 Ų134.371%0.71378%0.784SS**  trans-10.3143.3155.9-48.90000121.6
336D28.8Very low26.9Very low154 Ų154134.1 Ų134.182%0.82478%0.78SS**  trans153.5104130.9-77.9-11.9000108.7
337A25.1Very low27.1Very low88 Ų88137.6 Ų137.673%0.72778%0.781SS**  73119.382.800000115.1
338S25Very low27.3Very low117 Ų117135.5 Ų135.582%0.81878%0.777SS**  trans77.7117.3160.275.90000119.5
339Y27.7Very low27.3Very low205 Ų205135.2 Ų135.280%0.80478%0.775SS**  156.7114.5107-155.8-101.9000111.9
340I26.2Very low27.1Very low133 Ų133140 Ų14068%0.68278%0.778SS**  trans31.7117.7141.7-49.1-173.4000119.5
341G24.2Very low27.2Very low66 Ų66140.4 Ų140.468%0.6878%0.775SS**  trans90.7107.2135.300000116.6
342V30.3Very low27.3Very low133 Ų133134.9 Ų134.981%0.80677%0.768SS**  169.9129.4126.1158.10000107.2N344V342-N344 PolarHBondContact O-N 2.93Å; V342-N344 VanDerWaalsContact O-N 3.09Å
343V28.5Very low27.7Very low130 Ų130136 Ų13679%0.78877%0.773SS**  trans-49.6108.5172-178.90000109.5
344N28.5Very low28.2Very low134 Ų134134 Ų13472%0.71777%0.767SS**  trans-140.9117.6155.9-96-17.1000107.5V342 V346V342-N344 PolarHBondContact O-N 2.93Å; V342-N344 VanDerWaalsContact O-N 3.09Å; N344-V346 HydrophobicContact CB-CG2 4.34Å; N344-V346 PolarHBondContact O-N 3.3Å
345N26.7Very low28.3Very low157 Ų157135.6 Ų135.684%0.8477%0.771SS**  trans-58.882.5165.5-71.5-19.2000108.6
346V28Very low28.6Very low121 Ų121141.7 Ų141.773%0.73378%0.778SS**  trans-92.5101.5164.8-179.60000105.5N344N344-V346 HydrophobicContact CB-CG2 4.34Å; N344-V346 PolarHBondContact O-N 3.3Å
347F28.2Very low28.5Very low182 Ų182140.1 Ų140.180%0.79878%0.778SS**  trans-39.3130.5161.5-91.5-99.3000109.5D349F347-D349 PolarHBondContact O-N 2.7Å
348P34.1Very low28.7Very low122 Ų122143.4 Ų143.479%0.79278%0.783SS**  trans-61.5114.3178.623.3-30.7000109R350P348-R350 PolarHBondContact O-N 3.38Å
349D26.1Very low29Very low146 Ų146145.8 Ų145.878%0.78179%0.787SS**  trans-59.3128.6173.8-165.15.2000109.3F347 S351F347-D349 PolarHBondContact O-N 2.7Å; D349-S351 PolarHBondContact O-N 3.1Å
350R28.6Very low29.2Very low240 Ų240144.8 Ų144.891%0.90679%0.789SS**  trans-72.693.6-173.4-178.9-174.7-170.2172.93.4108P348P348-R350 PolarHBondContact O-N 3.38Å
351S27.9Very low29.5Very low98 Ų98145.3 Ų145.369%0.68579%0.794SS**  trans-130.495.2168.157.80000111.5D349D349-S351 PolarHBondContact O-N 3.1Å
352T29.7Very low30.1Very low125 Ų125152.6 Ų152.677%0.76781%0.807SS**  175121.4121.331.40000109V354T352-V354 PolarHBondContact O-N 3.4Å
353P30.9Very low30.3Very low121 Ų121152.1 Ų152.179%0.78680%0.804SS**  trans-76.2111.9174.130.3-28.3000108D355P353-D355 VanDerWaalsContact C-N 3.35Å; P353-D355 PolarHBondContact O-N 2.6Å; P353-D355 VanDerWaalsContact O-N 3.13Å
354V37.1Very low30.7Very low118 Ų118150.7 Ų150.772%0.71581%0.806SS**  trans-76.197.8161.3178.60000106.2T352 R356T352-V354 PolarHBondContact O-N 3.4Å; V354-R356 HydrophobicContact CG1-CG 4.13Å; V354-R356 PolarHBondContact O-N 2.97Å
355D28Very low30.9Very low156 Ų156151.4 Ų151.483%0.83481%0.808SS**  trans-51.4102.3157.1-94.1-40.7000108.4P353P353-D355 VanDerWaalsContact C-N 3.35Å; P353-D355 PolarHBondContact O-N 2.6Å; P353-D355 VanDerWaalsContact O-N 3.13Å
356R30.3Very low31.5Very low229 Ų229151.8 Ų151.886%0.86481%0.809SS**  trans-128.4116.8155-86.3-169.9177.5179.30.6108.6V354V354-R356 HydrophobicContact CG1-CG 4.13Å; V354-R356 PolarHBondContact O-N 2.97Å
357C27.9Very low32.1Very low121 Ų121152.7 Ų152.782%0.81881%0.809SS**  trans-50.3152.1-174.6-56.90000113.9D359C357-D359 PolarHBondContact O-N 3.04Å
358N28.2Very low32.5Very low157 Ų157148.8 Ų148.884%0.8481%0.805SS**  trans-16.2116.9154.4-80.3-12.1000114.3
359D31.9Very low32.5Very low167 Ų167145.7 Ų145.789%0.89380%0.795SS**  trans-139.9127.7140.5-90.9-38.8000110C357 N361C357-D359 PolarHBondContact O-N 3.04Å; D359-N361 PolarHBondContact O-N 2.7Å
360H32.7Very low33Very low184 Ų184144.8 Ų144.885%0.85279%0.789SS**  trans-61.9110177.2-74.3-50.9000110.7
361N32.1Very low33.3Very low145 Ų145140.8 Ų140.878%0.77579%0.786SS**  trans-169.2103.8145.1-90.9-29.5000109.9D359 T363D359-N361 PolarHBondContact O-N 2.7Å; N361-T363 VanDerWaalsContact C-N 3.26Å; N361-T363 PolarHBondContact O-N 3.01Å
362K36.4Very low33.8Very low219 Ų219144.3 Ų144.395%0.95279%0.791SS**  trans-8325.5-172-85.2-176.2175.5-179.70115.2
363T34.3Very low34Very low123 Ų123147.4 Ų147.476%0.75579%0.79SS**SBendtrans-138.1121.6172.848.90000108.4N361N361-T363 VanDerWaalsContact C-N 3.26Å; N361-T363 PolarHBondContact O-N 3.01Å
364A36.5Very low34.3Very low99 Ų99149.3 Ų149.382%0.81879%0.793SS**  trans93.257.717800000117.5
365I33.7Very low34.2Very low150 Ų150153.1 Ų153.177%0.76980%0.8SS**  trans-140.470148.2-46176000109.2
366I39Very low34.7Very low165 Ų165151.2 Ų151.285%0.84680%0.797SS**  trans-129.970.1152.4-49.7176.1000104.9
367N39.8Very low35Very low139 Ų139146.2 Ų146.274%0.74379%0.787SS**  trans-148.444.9174.6-104.6-13.5000110.7
368S37.8Very low35.8Very low101 Ų101145.2 Ų145.271%0.70678%0.779SS**SBendtrans-129.94174.351.10000114.1
369G33.4Very low36.3Very low57 Ų57142.1 Ų142.159%0.58877%0.77SS**SBendtrans-98-27.1175.600000115.2
370L37.7Very low36.7Very low127 Ų127143.4 Ų143.467%0.66576%0.763SS**G310 helixtrans-83.3-12.5-170.8-83.6162.6000115Q372L370-Q372 PolarHBondContact O-N 2.88Å
371N34.8Very low37.4Very low155 Ų155140.3 Ų140.383%0.82976%0.757SS**G310 helixtrans-78.42.2178-75.4-21.5000114.3
372Q37.9Very low37.9Very low172 Ų172141.4 Ų141.480%0.80476%0.762SS**G310 helixtrans-106.8-4.1176.3-71.7-174.514.500114.3L370 L374L370-Q372 PolarHBondContact O-N 2.88Å; Q372-L374 PolarHBondContact O-N 3.08Å; Q372-L374 VanDerWaalsContact O-N 3.13Å
373Y34.2Very low38Very low190 Ų190139 Ų13975%0.74576%0.755SS**  trans-82.192.3167.7-87.7-89.2000108.7F375Y373-F375 PolarHBondContact O-N 3.33Å; Y373-F375 VanDerWaalsContact O-N 3.08Å
374L36.5Very low38.2Very low161 Ų161142.3 Ų142.384%0.84376%0.758SS**  trans-57.1112.5159.6-88.2104.1000107.3Q372 P376Q372-L374 PolarHBondContact O-N 3.08Å; Q372-L374 VanDerWaalsContact O-N 3.13Å; L374-P376 WeakPolarHBondContact O-CD 3.35Å
375F35.9Very low38.2Very low198 Ų198143.1 Ų143.187%0.86876%0.755SS**PPolyproline II helixtrans-52.2122.3166.2-77.5-91.3000108.4Y373 D377Y373-F375 PolarHBondContact O-N 3.33Å; Y373-F375 VanDerWaalsContact O-N 3.08Å; F375-D377 PolarHBondContact O-N 2.82Å
376P37.2Very low38.3Very low117 Ų117143.8 Ų143.876%0.7676%0.76SS**PPolyproline II helixtrans-62.1136.4167.9-1730.4000108.7L374L374-P376 WeakPolarHBondContact O-CD 3.35Å
377D37.8Very low38.3Very low124 Ų124140.2 Ų140.266%0.66375%0.747SS**PPolyproline II helixtrans-48133-178.6-101.5-42.2000111.6F375 S379 Y380F375-D377 PolarHBondContact O-N 2.82Å; D377-S379 PolarHBondContact O-N 2.87Å; D377-Y380 PolarHBondContact O-N 2.78Å
378P44.7Very low38Very low100 Ų100138.4 Ų138.465%0.64975%0.745SS**G310 helixtrans-67.2-1.7-172.526-33.8000114.5Y380P378-Y380 VanDerWaalsContact C-N 3.28Å; P378-Y380 PolarHBondContact O-N 2.9Å
379S38.1Very low38Very low91 Ų91142.6 Ų142.664%0.63675%0.747SS**G310 helixtrans-69.8-20.1177.956.40000114.1D377D377-S379 PolarHBondContact O-N 2.87Å
380Y40.3Very low38.1Very low194 Ų194147.5 Ų147.576%0.76175%0.754SS**G310 helixtrans-92-6.3-178.1-78.4-79.9000114.9D377 P378D377-Y380 PolarHBondContact O-N 2.78Å; P378-Y380 VanDerWaalsContact C-N 3.28Å; P378-Y380 PolarHBondContact O-N 2.9Å
381V47.7Very low38Very low120 Ų120147.7 Ų147.773%0.72776%0.756SS**SBendtrans-91.4-13.4-172.2-177.20000113.2
382L41.6Very low38Very low167 Ų167146.8 Ų146.887%0.87475%0.751SS**SBendtrans-93.81.9-176.4-83.2164.9000115.5
383E40.1Very low37.9Very low170 Ų170143.6 Ų143.679%0.79474%0.743SS**SBendtrans-96.8-0.2-173.3-141.2-174.6-178.200115.1P385E383-P385 WeakPolarHBondContact O-CD 3.19Å
384K38.5Very low37.7Very low191 Ų191143.2 Ų143.283%0.8375%0.745SS**SBendtrans-102.4109.9172.6-107.6176.4177.6174.50110.2L386K384-L386 PolarHBondContact O-N 3.28Å
385P35.9Very low37.6Very low117 Ų117140.5 Ų140.576%0.7673%0.732SS**PPolyproline II helixtrans-55.5130.9168.7-18.529.5000109.1E383E383-P385 WeakPolarHBondContact O-CD 3.19Å
386L35.7Very low37.7Very low164 Ų164136.4 Ų136.486%0.85973%0.728SS**PPolyproline II helixtrans-54.9129.6172.8-69.5165.4000108.5K384 S388K384-L386 PolarHBondContact O-N 3.28Å; L386-S388 PolarHBondContact O-N 3.46Å; L386-S388 VanDerWaalsContact O-N 3.09Å
387P38.6Very low37.4Very low89 Ų89141 Ų14158%0.57873%0.73SS**PPolyproline II helixtrans-61.3118.3176.4-17.628.3000109.7Y389P387-Y389 HydrophobicContact CB-CD2 4.05Å; P387-Y389 HydrophobicContact CB-CE2 3.59Å; P387-Y389 HydrophobicContact CG-CE2 4.09Å; P387-Y389 WeakPolarHBondContact O-CD2 3.06Å; P387-Y389 PolarHBondContact O-N 3.25Å
388S33.6Very low37.3Very low101 Ų101143.5 Ų143.571%0.70674%0.737SS**  trans-67.897.8166.2176.60000107.8L386 H390L386-S388 PolarHBondContact O-N 3.46Å; L386-S388 VanDerWaalsContact O-N 3.09Å; S388-H390 PolarHBondContact O-N 2.71Å; S388-H390 VanDerWaalsContact O-N 3.16Å
389Y37.7Very low36.7Very low189 Ų189147.2 Ų147.274%0.74175%0.746SS**  trans-81.589.7171.3-72.5-77.8000108.8P387 N391P387-Y389 HydrophobicContact CB-CD2 4.05Å; P387-Y389 HydrophobicContact CB-CE2 3.59Å; P387-Y389 HydrophobicContact CG-CE2 4.09Å; P387-Y389 WeakPolarHBondContact O-CD2 3.06Å; P387-Y389 PolarHBondContact O-N 3.25Å; Y389-N391 PolarHBondContact O-N 3.27Å
390H34.7Very low36.3Very low160 Ų160151.1 Ų151.174%0.74175%0.754SS**  trans-59.7104.2149.9-82.7-80.2000107.1S388 N392S388-H390 PolarHBondContact O-N 2.71Å; S388-H390 VanDerWaalsContact O-N 3.16Å; H390-N392 PolarHBondContact O-N 3.44Å
391N36.5Very low36Very low132 Ų132153.7 Ų153.771%0.70676%0.762SS**  trans-68.976.8173.1-85.1-15.6000110Y389 V393Y389-N391 PolarHBondContact O-N 3.27Å; N391-V393 HydrophobicContact CB-CG2 4.33Å; N391-V393 PolarHBondContact O-N 2.88Å; N391-V393 VanDerWaalsContact O-N 3.08Å
392N34Very low35.3Very low135 Ų135153.1 Ų153.172%0.72276%0.759SS**  trans-79.560.5155-73-16.5000108.2H390 F394H390-N392 PolarHBondContact O-N 3.44Å; N392-F394 VanDerWaalsContact C-N 3.35Å; N392-F394 PolarHBondContact O-N 3.36Å
393V37Very low34.9Very low105 Ų105156.5 Ų156.564%0.63676%0.76SS**  trans-84.789.9169.3-177.30000106.2N391 D395N391-V393 HydrophobicContact CB-CG2 4.33Å; N391-V393 PolarHBondContact O-N 2.88Å; N391-V393 VanDerWaalsContact O-N 3.08Å; V393-D395 HydrophobicContact CG1-CB 4.44Å; V393-D395 PolarHBondContact O-N 3.17Å
394F29.7Very low34.5Very low182 Ų182154.9 Ų154.980%0.79876%0.756SS**  trans-61.582.5159.8-82.5-89.2000108.3N392 S396N392-F394 VanDerWaalsContact C-N 3.35Å; N392-F394 PolarHBondContact O-N 3.36Å; F394-S396 PolarHBondContact O-N 3.08Å; F394-S396 PolarHBondContact O-OG 3.23Å
395D34.4Very low34.5Very low105 Ų105153.4 Ų153.456%0.56176%0.757SS**  trans-71.495.3171.6-159.1-7.6000108.4V393 R397V393-D395 HydrophobicContact CG1-CB 4.44Å; V393-D395 PolarHBondContact O-N 3.17Å; D395-R397 PolarHBondContact O-N 3.21Å
396S37.2Very low34.1Very low111 Ų111152.6 Ų152.678%0.77675%0.754SS**THydrogen-bonded Turntrans-74.637.9-175.8-62.10000113.2F394F394-S396 PolarHBondContact O-N 3.08Å; F394-S396 PolarHBondContact O-OG 3.23Å
397R32Very low34Very low214 Ų214151.5 Ų151.581%0.80875%0.754SS**THydrogen-bonded Turntrans-136.330176.8-76.9-161.2-88.8-171.3-7.3115.3D395 H399D395-R397 PolarHBondContact O-N 3.21Å; R397-H399 PolarHBondContact O-N 2.86Å
398H36.2Very low33.5Very low176 Ų176151.7 Ų151.782%0.81576%0.758SS**  trans-75.791.3162.9-75-45.2000111.6E400H398-E400 PolarHBondContact O-N 2.88Å
399H31.9Very low33.5Very low179 Ų179154.2 Ų154.283%0.82976%0.763SS**  trans-56.798.6154.7-84.7-72.4000110R397 R401R397-H399 PolarHBondContact O-N 2.86Å; H399-R401 PolarHBondContact O-N 2.87Å
400E29.9Very low33Very low172 Ų172153.1 Ų153.180%0.80476%0.764SS**  trans19.784.7134.5-159.9-179.6-172.100115.9H398H398-E400 PolarHBondContact O-N 2.88Å
401R33.5Very low33Very low248 Ų248153.8 Ų153.894%0.93677%0.765SS**  trans-134.869.6142.7-71.6-165.2-178.8123.32108.5H399 R403H399-R401 PolarHBondContact O-N 2.87Å; R401-R403 PolarHBondContact O-N 3.14Å
402V32.8Very low32.8Very low108 Ų108153.1 Ų153.166%0.65577%0.768SS**  trans-67.1107.8169.2172.50000107.8L404V402-L404 HydrophobicContact CG1-CD1 4.15Å; V402-L404 HydrophobicContact CG1-CD2 3.99Å; V402-L404 HydrophobicContact CG1-CG 3.62Å
403R33.9Very low32.8Very low238 Ų238155.4 Ų155.490%0.89877%0.774SS**  trans-108.3106.8156.2-104.4-173.1154.894.90.7106.8R401 D405R401-R403 PolarHBondContact O-N 3.14Å; R403-D405 PolarHBondContact O-N 2.79Å
404L31.4Very low32.6Very low136 Ų136157.3 Ų157.371%0.71278%0.781SS**  trans-78.1105.3175.9-66.6158.6000108.1V402V402-L404 HydrophobicContact CG1-CD1 4.15Å; V402-L404 HydrophobicContact CG1-CD2 3.99Å; V402-L404 HydrophobicContact CG1-CG 3.62Å
405D38.2Very low32.9Very low160 Ų160157.1 Ų157.186%0.85679%0.787SS**  trans-124.294.9150.9-73.5-39.5000106.4R403R403-D405 PolarHBondContact O-N 2.79Å
406S27.1Very low33Very low100 Ų100158.9 Ų158.970%0.69980%0.797SS**  trans-69.6122.7-171.3-450000112
407T33.4Very low32.8Very low141 Ų141164.8 Ų164.887%0.86580%0.803SS**  trans-117.3103.3144.647.20000107.1L409T407-L409 PolarHBondContact O-N 3.09Å
408S27.4Very low33.1Very low93 Ų93158.6 Ų158.665%0.6580%0.798SS**  trans-70.3110-178.9-1750000109.4
409L34Very low32.9Very low154 Ų154156.6 Ų156.681%0.80679%0.794SS**  trans-9898.2157.7-86.6162.2000106.6T407 F411T407-L409 PolarHBondContact O-N 3.09Å; L409-F411 PolarHBondContact O-N 2.85Å; L409-F411 VanDerWaalsContact O-N 3.15Å
410H27.5Very low32.9Very low167 Ų167154 Ų15477%0.77379%0.794SS**  trans-59.6108.6168.9-97.4-72.2000109
411F35.5Very low33Very low174 Ų174151.2 Ų151.276%0.76379%0.789SS**  trans-88.4127.2152.5-74.2-82.6000107.1L409 E413L409-F411 PolarHBondContact O-N 2.85Å; L409-F411 VanDerWaalsContact O-N 3.15Å; F411-E413 PolarHBondContact O-N 3.43Å; F411-E413 VanDerWaalsContact O-N 3.17Å
412P32.3Very low33Very low117 Ų117143.4 Ų143.476%0.7678%0.777SS**  trans-64.8116.8179.323.7-30000110.2D414P412-D414 PolarHBondContact O-N 3.03Å; P412-D414 VanDerWaalsContact O-N 3.14Å
413E34.5Very low32.9Very low183 Ų183145 Ų14586%0.85578%0.782SS**  trans-66.293.6163.1-72.6163.4141.500108.1F411F411-E413 PolarHBondContact O-N 3.43Å; F411-E413 VanDerWaalsContact O-N 3.17Å
414D31.8Very low33Very low145 Ų145140.9 Ų140.978%0.77578%0.778SS**  trans-159.148.7167-92.9-29.7000111.4P412P412-D414 PolarHBondContact O-N 3.03Å; P412-D414 VanDerWaalsContact O-N 3.14Å
415L37Very low33.2Very low178 Ų178141.2 Ų141.293%0.93278%0.779SS**  trans-128.758.5162.2-85.6157.8000108.8Y417L415-Y417 PolarHBondContact O-N 3.4Å
416D36.4Very low32.8Very low143 Ų143139.3 Ų139.377%0.76578%0.776SS**  trans-64.4118.7162.7-88.6-30.4000109.5A418D416-A418 PolarHBondContact O-N 3.09Å
417Y33.2Very low33.1Very low234 Ų234144.1 Ų144.192%0.91878%0.784SS**  trans38.379.5146.3-87.2-94.5000116.8L415L415-Y417 PolarHBondContact O-N 3.4Å
418A36.8Very low33.1Very low84 Ų84141.8 Ų141.869%0.69477%0.774SS**  trans-111.9109150.900000108.9D416 C420D416-A418 PolarHBondContact O-N 3.09Å; A418-C420 VanDerWaalsContact C-N 3.35Å; A418-C420 PolarHBondContact O-N 3.2Å
419D33.4Very low33.4Very low135 Ų135143.1 Ų143.172%0.72278%0.78SS**  trans-55.788.8169.1-171.22.8000110.2T421D419-T421 PolarHBondContact O-N 3.35Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.2Å; D419-T421 PolarHBondContact OD1-OG1 2.86Å
420C31.9Very low33.5Very low124 Ų124145.1 Ų145.184%0.83878%0.782SS**  trans-89.157.2173.9-68.10000110.2A418 A422A418-C420 VanDerWaalsContact C-N 3.35Å; A418-C420 PolarHBondContact O-N 3.2Å; C420-A422 PolarHBondContact O-N 2.72Å
421T30.1Very low33.7Very low114 Ų114140.7 Ų140.770%0.69978%0.782SS**  trans-92.565.6164.647.40000110.3D419D419-T421 PolarHBondContact O-N 3.35Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.2Å; D419-T421 PolarHBondContact OD1-OG1 2.86Å
422A34.2Very low34Very low83 Ų83141 Ų14169%0.68679%0.786SS**SBendtrans-169.3113.8161.500000111C420C420-A422 PolarHBondContact O-N 2.72Å
423N31.4Very low34.2Very low142 Ų142143.8 Ų143.876%0.75979%0.789SS**  trans25.7128.1140.7-63.1-2000119.6
424D35.9Very low34.5Very low152 Ų152142.8 Ų142.881%0.81379%0.788SS**  trans69.854.5144.7-53.7-30.8000118.4
425I35.7Very low35Very low143 Ų143140.9 Ų140.973%0.73378%0.782SS**  trans-113.9116.1152.6-54.5177000108F427I425-F427 PolarHBondContact O-N 2.74Å
426P30.1Very low35.6Very low120 Ų120136.7 Ų136.778%0.77976%0.76SS**  trans-65.7111.4-17926.7-32000108.7S428P426-S428 PolarHBondContact O-N 2.87Å
427F32.8Very low35.8Very low201 Ų201136.2 Ų136.288%0.88276%0.757SS**  trans-65.985.7165.6-74.2-86.1000108I425I425-F427 PolarHBondContact O-N 2.74Å
428S32.6Very low36.3Very low92 Ų92131.1 Ų131.164%0.64374%0.741SS**  trans-59.9129.2156.5-161.20000106.3P426 F430P426-S428 PolarHBondContact O-N 2.87Å; S428-F430 PolarHBondContact O-N 3.23Å
429P34.9Very low36.7Very low120 Ų120130.5 Ų130.578%0.77973%0.732SS**  trans-61.7109.8-173.823.6-31.3000108.2G431P429-G431 PolarHBondContact O-N 2.86Å
430F35.5Very low37.2Very low196 Ų196129.8 Ų129.886%0.8673%0.727SS**  trans-63.3106.8169.9-96.2-92.1000106.8S428 E432S428-F430 PolarHBondContact O-N 3.23Å; F430-E432 PolarHBondContact O-N 2.89Å
431G32.7Very low37.9Very low74 Ų74128.7 Ų128.776%0.76372%0.717SS**  trans-7.88817200000116.2P429 E433P429-G431 PolarHBondContact O-N 2.86Å; G431-E433 PolarHBondContact O-N 2.75Å; G431-E433 VanDerWaalsContact O-N 3.08Å
432E41.7Very low38.3Very low180 Ų180130 Ų13084%0.84171%0.713SS**  trans-71.892.2148.5-70.3177.9-166.600105.5F430 L434F430-E432 PolarHBondContact O-N 2.89Å; E432-L434 PolarHBondContact O-N 2.86Å
433E36.5Very low38.6Very low177 Ų177132.7 Ų132.783%0.82772%0.716SS**  trans-50.7109.3163.3-175.1172.1-170.500106.6G431 V435G431-E433 PolarHBondContact O-N 2.75Å; G431-E433 VanDerWaalsContact O-N 3.08Å; E433-V435 VanDerWaalsContact C-N 3.3Å; E433-V435 PolarHBondContact O-N 3.44Å
434L40.6Very low38.8Very low162 Ų162131.4 Ų131.485%0.84872%0.718SS**  trans-56100.9174.8-71.2168000106.3E432 D436E432-L434 PolarHBondContact O-N 2.86Å; L434-D436 PolarHBondContact O-N 2.83Å
435V41Very low38.6Very low104 Ų104129.7 Ų129.763%0.6371%0.708SS**  trans-62.793.5171.6177.40000105.6E433 L437 L440E433-V435 VanDerWaalsContact C-N 3.3Å; E433-V435 PolarHBondContact O-N 3.44Å; V435-L437 PolarHBondContact O-N 3.44Å; V435-L440 HydrophobicContact CG1-CD1 4.1Å; V435-L440 HydrophobicContact CG1-CG 4.17Å
436D50.8Low38.5Very low91 Ų91128.1 Ų128.149%0.48771%0.709SS.*  trans-59.9122.3174-176.89000107.3L434 H438 S439L434-D436 PolarHBondContact O-N 2.83Å; D436-H438 PolarHBondContact O-N 3.45Å; D436-H438 IonicContact OD1-CD2 2.7Å; D436-H438 PolarHBondContact OD1-CD2 3.29Å; D436-H438 IonicContact OD1-CG 3.47Å; D436-H438 PolarHBondContact OD1-N 3.22Å; D436-H438 IonicContact OD2-CD2 3.35Å; D436-S439 WeakPolarHBondContact O-CB 3.44Å; D436-S439 PolarHBondContact O-N 3.08Å
437L40.9Very low38.9Very low133 Ų133129.9 Ų129.970%0.69671%0.712SS**THydrogen-bonded Turntrans-58.1-20.6-175.4-138.680000111.6V435 S439 L440V435-L437 PolarHBondContact O-N 3.44Å; L437-S439 VanDerWaalsContact C-N 3.34Å; L437-L440 PolarHBondContact O-N 2.76Å
438H42.6Very low39.1Very low127 Ų127126.8 Ų126.859%0.58870%0.704SS**THydrogen-bonded Turntrans-66.1-30.8173-71.4-70.2000113.4D436 L440 V441 F442D436-H438 PolarHBondContact O-N 3.45Å; D436-H438 IonicContact OD1-CD2 2.7Å; D436-H438 PolarHBondContact OD1-CD2 3.29Å; D436-H438 IonicContact OD1-CG 3.47Å; D436-H438 PolarHBondContact OD1-N 3.22Å; D436-H438 IonicContact OD2-CD2 3.35Å; H438-L440 PolarHBondContact O-N 3.14Å; H438-V441 PolarHBondContact O-N 3.13Å; H438-F442 VanDerWaalsContact O-CD2 3.24Å; H438-F442 WeakPolarHBondContact O-CD2 3.44Å
439S44.7Very low39.2Very low71 Ų71128.3 Ų128.350%0.49771%0.711SS.*Hα-helixtrans-68.4-34.7177.6-59.90000112.2D436 L437 V441 F442D436-S439 WeakPolarHBondContact O-CB 3.44Å; D436-S439 PolarHBondContact O-N 3.08Å; L437-S439 VanDerWaalsContact C-N 3.34Å; S439-V441 VanDerWaalsContact C-N 3.25Å; S439-V441 PolarHBondContact O-N 2.98Å; S439-F442 PolarHBondContact O-N 3.03Å
440L44.1Very low39.3Very low119 Ų119127.9 Ų127.962%0.62371%0.711SS**Hα-helixtrans-71.1-17.5179.2-70.5172.5000113.8V435 L437 H438V435-L440 HydrophobicContact CG1-CD1 4.1Å; V435-L440 HydrophobicContact CG1-CG 4.17Å; L437-L440 PolarHBondContact O-N 2.76Å; H438-L440 PolarHBondContact O-N 3.14Å
441V46.4Very low39.3Very low102 Ų102126.3 Ų126.362%0.61871%0.711SS**Hα-helixtrans-89.1-17.9179.3-178.60000112H438 S439H438-V441 PolarHBondContact O-N 3.13Å; S439-V441 VanDerWaalsContact C-N 3.25Å; S439-V441 PolarHBondContact O-N 2.98Å
442F40.1Very low39.7Very low140 Ų140128.6 Ų128.661%0.61471%0.71SS**Hα-helixtrans-102.3-7.9-176.5-72.6-69.5000115.8H438 S439 S444 I445H438-F442 VanDerWaalsContact O-CD2 3.24Å; H438-F442 WeakPolarHBondContact O-CD2 3.44Å; S439-F442 PolarHBondContact O-N 3.03Å; F442-S444 PolarHBondContact O-N 3.01Å; F442-I445 PolarHBondContact O-N 3.14Å
443D39.3Very low39.6Very low141 Ų141126.3 Ų126.375%0.75470%0.704SS**THydrogen-bonded Turntrans-75.621.1178-83-12000115
444S36.2Very low39.8Very low115 Ų115126.9 Ų126.980%0.80471%0.706SS**THydrogen-bonded Turntrans-133.215.1171-69.50000114.9F442F442-S444 PolarHBondContact O-N 3.01Å
445I32.5Very low40.1Very low116 Ų116124.6 Ų124.660%0.59570%0.7SS**  trans-132.468173.6-44.1176.2000109.9F442F442-I445 PolarHBondContact O-N 3.14Å
446S33.7Very low40.2Very low110 Ų110124.3 Ų124.377%0.76970%0.702SS**  trans-68.5130.7158.6-56.10000109.1
447D37Very low39.7Very low156 Ų156127.5 Ų127.583%0.83471%0.712SS**SBendtrans80.346.4163.7-62-24.8000120.5
448I37.3Very low40.2Very low137 Ų137125.2 Ų125.270%0.70370%0.7SS**  trans-137.3120.8151.4-54.1176.9000110.1S450I448-S450 PolarHBondContact O-N 2.96Å
449P35.9Very low40.4Very low123 Ų123125.2 Ų125.280%0.79971%0.712SS**  trans-63.5127.4-176.924.4-32.2000111.6N451P449-N451 PolarHBondContact O-N 2.99Å; P449-N451 VanDerWaalsContact O-N 3.11Å
450S36.5Very low40.7Very low111 Ų111125.2 Ų125.278%0.77672%0.716SS**  trans-62.2100.5176.243.50000111.8I448I448-S450 PolarHBondContact O-N 2.96Å
451N34.2Very low40.8Very low163 Ų163128 Ų12887%0.87272%0.72SS**  trans-135.771.4152.3-95.5-39.7000106.5P449P449-N451 PolarHBondContact O-N 2.99Å; P449-N451 VanDerWaalsContact O-N 3.11Å
452V43Very low41Very low122 Ų122127.7 Ų127.774%0.73972%0.715SS**  trans-104.693166.6-175.40000105.4E454V452-E454 PolarHBondContact O-N 2.77Å
453D38Very low41.6Very low132 Ų132126.5 Ų126.571%0.70671%0.714SS**  trans-49129.7165.2-103.9-37.8000108.6T455D453-T455 PolarHBondContact O-N 3.06Å
454E41.9Very low42.5Very low189 Ų189123.2 Ų123.288%0.88370%0.702SS**THydrogen-bonded Turntrans-66.924.1176.7-63.7-147.2148.100114V452V452-E454 PolarHBondContact O-N 2.77Å
455T45.4Very low43.5Very low115 Ų115122.8 Ų122.871%0.70669%0.69SS**THydrogen-bonded Turntrans-98.15175.258.80000113.2D453 F457D453-T455 PolarHBondContact O-N 3.06Å; T455-F457 PolarHBondContact O-N 2.97Å
456S44.3Very low44.5Very low98 Ų98123 Ų12369%0.68569%0.692SS**  trans-78.550.6170.765.90000112.3
457F40.4Very low45.7Very low157 Ų157124.2 Ų124.269%0.68969%0.687SS**  trans-87.5123.4156.9-110.8-92.6000107.6T455 P459T455-F457 PolarHBondContact O-N 2.97Å; F457-P459 WeakPolarHBondContact O-CD 3.27Å
458D50.1Low46.5Very low85 Ų85123.9 Ų123.946%0.45568%0.681SS.*  trans-60.6118.4178.6-175.5-7.1000110A460 Y461D458-A460 PolarHBondContact O-N 2.9Å; D458-A460 WeakPolarHBondContact OD1-CB 3.35Å; D458-A460 PolarHBondContact OD1-N 3.42Å; D458-Y461 HydrophobicContact CB-CD2 4.37Å; D458-Y461 PolarHBondContact O-N 2.74Å
459P48Very low47.3Very low127 Ų127124.8 Ų124.883%0.82568%0.681SS**THydrogen-bonded Turntrans-61.4-9.6178.8-20.331.2000114.3F457 Y461F457-P459 WeakPolarHBondContact O-CD 3.27Å; P459-Y461 VanDerWaalsContact C-N 3.26Å
460A49.9Very low48.1Very low72 Ų72127.6 Ų127.660%0.59568%0.682SS**THydrogen-bonded Turntrans-76.2-11.9174.400000113.7D458D458-A460 PolarHBondContact O-N 2.9Å; D458-A460 WeakPolarHBondContact OD1-CB 3.35Å; D458-A460 PolarHBondContact OD1-N 3.42Å
461Y46.2Very low48.7Very low177 Ų177129.3 Ų129.369%0.69470%0.702SS**  trans-116.276.9174.7-70.1-83.3000109.4D458 P459 I463D458-Y461 HydrophobicContact CB-CD2 4.37Å; D458-Y461 PolarHBondContact O-N 2.74Å; P459-Y461 VanDerWaalsContact C-N 3.26Å; Y461-I463 PolarHBondContact O-N 2.62Å
462D50.7Low49.4Very low96 Ų96127.6 Ų127.651%0.51369%0.694SS.*  trans-66.4120161-164.7-26.1000107S464 D465D462-S464 PolarHBondContact O-N 3.2Å; D462-S464 VanDerWaalsContact OD1-CB 3.25Å; D462-S464 WeakPolarHBondContact OD1-CB 3.22Å; D462-S464 PolarHBondContact OD1-N 2.97Å; D462-S464 VanDerWaalsContact OD1-N 3.12Å; D462-S464 PolarHBondContact OD1-OG 3.39Å; D462-D465 PolarHBondContact O-N 3.29Å
463I53.3Low49.7Very low115 Ų115127.9 Ų127.959%0.5969%0.691SS**Hα-helixtrans-53.3-25178.6-64.8164.9000110.6Y461 D465 L466 M467Y461-I463 PolarHBondContact O-N 2.62Å; I463-D465 VanDerWaalsContact C-N 3.32Å; I463-D465 PolarHBondContact O-N 3.35Å; I463-L466 PolarHBondContact O-N 3.09Å; I463-M467 WeakPolarHBondContact O-CG 3.39Å; I463-M467 PolarHBondContact O-N 3.38Å
464S59.2Low50.4Low72 Ų72127.7 Ų127.750%0.50369%0.69SS.*Hα-helixtrans-58.4-36.4173.7-49.60000113.6D462 M467 Q468D462-S464 PolarHBondContact O-N 3.2Å; D462-S464 VanDerWaalsContact OD1-CB 3.25Å; D462-S464 WeakPolarHBondContact OD1-CB 3.22Å; D462-S464 PolarHBondContact OD1-N 2.97Å; D462-S464 VanDerWaalsContact OD1-N 3.12Å; D462-S464 PolarHBondContact OD1-OG 3.39Å; S464-M467 PolarHBondContact O-N 3.22Å; S464-Q468 PolarHBondContact O-N 2.84Å
465D56.6Low50.9Low105 Ų105124.1 Ų124.156%0.56168%0.679SS**Hα-helixtrans-72.3-30.6178.6-83.6-11.2000111.9D462 I463D462-D465 PolarHBondContact O-N 3.29Å; I463-D465 VanDerWaalsContact C-N 3.32Å; I463-D465 PolarHBondContact O-N 3.35Å
466L53.3Low51.2Low121 Ų121124.6 Ų124.663%0.63468%0.677SS**Hα-helixtrans-74.2-32.8176.7-162.271.8000111.8I463 H469I463-L466 PolarHBondContact O-N 3.09Å; L466-H469 PolarHBondContact O-N 3.46Å
467M59.6Low51.7Low136 Ų136126.4 Ų126.467%0.6768%0.677SS**Hα-helixtrans-71.7-26.6178.5-72.7-105.2-61.400113.2I463 S464 H469 F470 A471I463-M467 WeakPolarHBondContact O-CG 3.39Å; I463-M467 PolarHBondContact O-N 3.38Å; S464-M467 PolarHBondContact O-N 3.22Å; M467-H469 PolarHBondContact O-N 3.18Å; M467-F470 PolarHBondContact O-N 3.1Å; M467-F470 VanDerWaalsContact O-N 3.15Å; M467-A471 PolarHBondContact O-N 2.81Å
468Q53.4Low52.5Low149 Ų149124.2 Ų124.270%0.69668%0.676SS**THydrogen-bonded Turntrans-66.2-17.8177-96-173.65.500113.9S464 F470S464-Q468 PolarHBondContact O-N 2.84Å; Q468-F470 VanDerWaalsContact C-N 3.3Å
469H54.1Low52.7Low155 Ų155127.2 Ų127.272%0.71869%0.693SS**THydrogen-bonded Turntrans-80.6-9.3175.4-71-51.7000114L466 M467L466-H469 PolarHBondContact O-N 3.46Å; M467-H469 PolarHBondContact O-N 3.18Å
470F53Low53.1Low183 Ų183127.3 Ų127.380%0.80368%0.682SS**  trans-120.11.4-176.6-64.8-74.7000114.7M467 Q468M467-F470 PolarHBondContact O-N 3.1Å; M467-F470 VanDerWaalsContact O-N 3.15Å; Q468-F470 VanDerWaalsContact C-N 3.3Å
471A47.9Very low53.4Low146 Ų146132.3 Ų132.3100%1.20769%0.69SS**  trans-101.50170.700000110.1M467M467-A471 PolarHBondContact O-N 2.81Å

Retrieved 471 of 471 residues in 102.8 ms (Link to these results)