A0A087WSD2_MOUSE Loading...

Membrane-spanning 4-domains, subfamily A, member 14

AlphaFold DB , UniProt , Accession A0A087WSD2, Species MOUSE (Mus musculus, Mouse), Gene Ms4a14, Length 1,232 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.1Very low34.4Very low236 Ų236169 Ų169100%1.16383%0.83SS**  0158.30-83.1155158.500107.6
2E36.8Very low34.2Very low191 Ų191167.3 Ų167.389%0.89382%0.818SS**  trans57.9112.6-176.3-74.3160.4106.700116.7
3S32.7Very low33.9Very low103 Ų103164.1 Ų164.172%0.7281%0.814SS**PPolyproline II helixtrans-70.4155.7160.2-57.70000109.9S5S3-S5 PolarHBondContact O-N 2.76Å
4P40.3Very low34.1Very low132 Ų132161.2 Ų161.286%0.85780%0.801SS**PPolyproline II helixtrans-58.5126.4171.125.6-34000110.3
5S36.1Very low34Very low111 Ų111159.2 Ų159.278%0.77680%0.801SS**PPolyproline II helixtrans-63.8159.6-178-41.90000112.1S3 E7S3-S5 PolarHBondContact O-N 2.76Å; S5-E7 PolarHBondContact O-N 3.23Å
6E34.9Very low34.5Very low193 Ų193154.4 Ų154.490%0.90278%0.777SS**  trans-51.9105.5-176.2-62.5172.590.600113.2K8E6-K8 PolarHBondContact O-N 2.81Å
7E33.6Very low34.9Very low194 Ų194150.4 Ų150.491%0.90776%0.759SS**  trans-69.790.5159.8-177.8155.9-172.100108.5S5 R9S5-E7 PolarHBondContact O-N 3.23Å; E7-R9 PolarHBondContact O-N 2.88Å
8K33.9Very low35.6Very low172 Ų172149.2 Ų149.275%0.74876%0.763SS**  trans-21.697.1179.5-172170.6-173.3167.80113.1E6 R10E6-K8 PolarHBondContact O-N 2.81Å; K8-R10 VanDerWaalsContact C-N 3.29Å; K8-R10 PolarHBondContact O-N 3.39Å
9R32.1Very low35.8Very low219 Ų219149.4 Ų149.483%0.82677%0.766SS**  trans-5589.7171.8-165.2-170.6-154.3-171.16.1109E7 N11E7-R9 PolarHBondContact O-N 2.88Å; R9-N11 PolarHBondContact O-N 2.86Å
10R30.6Very low35.8Very low196 Ų196148.5 Ų148.574%0.7476%0.759SS**  trans-73.470.1177.7-89.7-165.7-80.3-177.5-6.1109.8K8 H12K8-R10 VanDerWaalsContact C-N 3.29Å; K8-R10 PolarHBondContact O-N 3.39Å; R10-H12 PolarHBondContact O-N 3.06Å; R10-H12 PolarHBondContact O-ND1 2.82Å
11N31.6Very low36.1Very low112 Ų112148.1 Ų148.160%0.59976%0.764SS**  trans-48.7111.3150-68.34.4000105.9R9 V13R9-N11 PolarHBondContact O-N 2.86Å; N11-V13 PolarHBondContact O-N 2.96Å
12H32.1Very low35.9Very low149 Ų149140 Ų14069%0.6973%0.727SS**  trans-75.383.3179-79.250.4000107.9R10 I14R10-H12 PolarHBondContact O-N 3.06Å; R10-H12 PolarHBondContact O-ND1 2.82Å; H12-I14 HydrophobicContact CB-CG1 4.4Å; H12-I14 PolarHBondContact O-N 3.14Å
13V29.4Very low35.7Very low125 Ų125137.8 Ų137.876%0.75872%0.72SS**  trans-68.590.2165.2-179.20000106.5N11 T15N11-V13 PolarHBondContact O-N 2.96Å; V13-T15 PolarHBondContact O-N 3.17Å
14I37.1Very low35.8Very low124 Ų124138.4 Ų138.464%0.63672%0.72SS**  trans-77.7103.9171.8-60.8173.5000106H12 I16H12-I14 HydrophobicContact CB-CG1 4.4Å; H12-I14 PolarHBondContact O-N 3.14Å; I14-I16 HydrophobicContact CG2-CG1 4.16Å; I14-I16 PolarHBondContact O-N 3.09Å
15T32.7Very low35.6Very low131 Ų131135.1 Ų135.180%0.80470%0.704SS**  trans-69.7114.3168.8-52.10000108.1V13V13-T15 PolarHBondContact O-N 3.17Å
16I42Very low35.3Very low82 Ų82140.2 Ų140.242%0.42171%0.708SS.*  trans-93.1128.1-178.8-60163.5000108.2I14 V22I14-I16 HydrophobicContact CG2-CG1 4.16Å; I14-I16 PolarHBondContact O-N 3.09Å; I16-V22 HydrophobicContact CB-CG2 4.43Å; I16-V22 HydrophobicContact CD1-CB 3.89Å; I16-V22 HydrophobicContact CD1-CG1 3.79Å; I16-V22 HydrophobicContact CD1-CG2 4.35Å; I16-V22 HydrophobicContact CG1-CB 4.14Å; I16-V22 HydrophobicContact CG1-CG1 4.2Å; I16-V22 HydrophobicContact CG1-CG2 4.03Å; I16-V22 HydrophobicContact CG2-CB 4Å; I16-V22 HydrophobicContact CG2-CG2 3.63Å
17D42Very low35.3Very low87 Ų87136.9 Ų136.947%0.46570%0.703SS.*  trans-69.6137.1172.4-173.4-69.6000109.7N19 E20D17-N19 PolarHBondContact O-N 2.98Å; D17-N19 PolarHBondContact OD1-N 3.39Å; D17-E20 HydrophobicContact CB-CG 4.23Å; D17-E20 PolarHBondContact O-N 3.4Å
18P47Very low35.4Very low129 Ų129137.3 Ų137.384%0.83870%0.698SS**THydrogen-bonded Turntrans-61.9-6.4-177.724.8-35.4000115.6
19N38.7Very low35.7Very low153 Ų153140 Ų14082%0.81870%0.703SS**THydrogen-bonded Turntrans-99.9-3.4169.1-74.7-55.7000114.9D17D17-N19 PolarHBondContact O-N 2.98Å; D17-N19 PolarHBondContact OD1-N 3.39Å
20E36.8Very low36.3Very low131 Ų131132.8 Ų132.861%0.61269%0.685SS**  trans-97.4124.6-178.9-70.9-162.3151.500113.1D17 V22D17-E20 HydrophobicContact CB-CG 4.23Å; D17-E20 PolarHBondContact O-N 3.4Å; E20-V22 HydrophobicContact CB-CG2 4.33Å; E20-V22 PolarHBondContact O-N 3.04Å
21T42.2Very low36.9Very low141 Ų141128.6 Ų128.687%0.86567%0.673SS**  trans-81.776.5-178.81.10000111.4L23T21-L23 PolarHBondContact O-N 3.07Å
22V30.7Very low37.8Very low64 Ų64126.8 Ų126.839%0.38867%0.669SS.*  trans-83.3103.8-179.6176.70000111.2I16 E20 T24I16-V22 HydrophobicContact CB-CG2 4.43Å; I16-V22 HydrophobicContact CD1-CB 3.89Å; I16-V22 HydrophobicContact CD1-CG1 3.79Å; I16-V22 HydrophobicContact CD1-CG2 4.35Å; I16-V22 HydrophobicContact CG1-CB 4.14Å; I16-V22 HydrophobicContact CG1-CG1 4.2Å; I16-V22 HydrophobicContact CG1-CG2 4.03Å; I16-V22 HydrophobicContact CG2-CB 4Å; I16-V22 HydrophobicContact CG2-CG2 3.63Å; E20-V22 HydrophobicContact CB-CG2 4.33Å; E20-V22 PolarHBondContact O-N 3.04Å; V22-T24 HydrophobicContact CG1-CG2 4.39Å; V22-T24 PolarHBondContact O-N 3.26Å
23L33.9Very low38.9Very low145 Ų145123.3 Ų123.376%0.75966%0.662SS**  trans-85.399174.8-129.276.1000110.8T21 A25T21-L23 PolarHBondContact O-N 3.07Å; L23-A25 PolarHBondContact O-N 3.11Å; L23-A25 VanDerWaalsContact O-N 3.12Å
24T33.3Very low39.9Very low117 Ų117122.5 Ų122.572%0.71865%0.653SS**  trans-7888174.534.10000111.6V22V22-T24 HydrophobicContact CG1-CG2 4.39Å; V22-T24 PolarHBondContact O-N 3.26Å
25A36Very low40.6Very low62 Ų62119.1 Ų119.151%0.51264%0.636SS.*  trans-86.1120.9176.500000112.3L23L23-A25 PolarHBondContact O-N 3.11Å; L23-A25 VanDerWaalsContact O-N 3.12Å
26Y30.1Very low41.5Very low219 Ų219117.4 Ų117.486%0.85962%0.621SS**  trans-75129.7170.2-77.9-88.4000110.8Y28Y26-Y28 PolarHBondContact O-N 3.11Å; Y26-Y28 VanDerWaalsContact O-N 3.12Å
27P36.5Very low42Very low123 Ų123118.3 Ų118.380%0.79962%0.623SS**  trans-8293.9-176.932-34.5000111.6R29P27-R29 PolarHBondContact O-N 3.28Å
28Y33.7Very low42.4Very low203 Ų203118.4 Ų118.480%0.79662%0.623SS**  trans-60.3134.6159.6-168.8-96.1000109.1Y26 P30Y26-Y28 PolarHBondContact O-N 3.11Å; Y26-Y28 VanDerWaalsContact O-N 3.12Å; Y28-P30 WeakPolarHBondContact O-CD 3.17Å
29R40.2Very low42.8Very low228 Ų228119.8 Ų119.886%0.8662%0.615SS**  trans-77.2108.7170.6-79.6-172.4-177169.21.8108.8P27P27-R29 PolarHBondContact O-N 3.28Å
30P46.1Very low43.5Very low68 Ų68113.1 Ų113.144%0.44258%0.583SS.*  trans-59.3159.2152.630.6-36000108.5Y28 S32 L35Y28-P30 WeakPolarHBondContact O-CD 3.17Å; P30-S32 PolarHBondContact O-N 3.49Å; P30-L35 HydrophobicContact CB-CB 4.38Å; P30-L35 HydrophobicContact CB-CD1 3.64Å; P30-L35 HydrophobicContact CG-CB 4.37Å; P30-L35 HydrophobicContact CG-CD1 3.69Å
31H43.8Very low44.8Very low107 Ų107112.4 Ų112.450%0.49558%0.58SS.*  trans-56.2107.6164.3-108.4-74.5000108.1S33 L34 L35H31-S33 PolarHBondContact ND1-OG 2.79Å; H31-S33 PolarHBondContact O-N 3.12Å; H31-L34 HydrophobicContact CB-CB 4.34Å; H31-L34 PolarHBondContact O-N 2.65Å; H31-L35 PolarHBondContact O-N 3.47Å; H31-L35 VanDerWaalsContact O-N 3.13Å
32S50.5Low46.2Very low75 Ų75108 Ų10852%0.52455%0.554SS.*Hα-helixtrans-56.2-41.9-178.648.10000109.7P30 L34 L35 D36P30-S32 PolarHBondContact O-N 3.49Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3.26Å; S32-L34 VanDerWaalsContact O-N 3.15Å; S32-L35 PolarHBondContact O-N 3.49Å; S32-D36 WeakPolarHBondContact CB-OD2 3.4Å; S32-D36 WeakPolarHBondContact O-CA 3.06Å; S32-D36 WeakPolarHBondContact O-CB 3.44Å; S32-D36 VanDerWaalsContact O-CG 3.29Å; S32-D36 PolarHBondContact O-N 2.83Å
33S53.4Low48.6Very low76 Ų76108.1 Ų108.153%0.53155%0.549SS..Hα-helixtrans-45.3-44170.451.20000114.7H31 F37H31-S33 PolarHBondContact ND1-OG 2.79Å; H31-S33 PolarHBondContact O-N 3.12Å; S33-F37 WeakPolarHBondContact O-CB 3.3Å; S33-F37 PolarHBondContact O-N 3.24Å
34L51.9Low51.1Low108 Ų108104.6 Ų104.657%0.56553%0.531SS*.Hα-helixtrans-84.1-42.9-176.8-142.4178.2000111.5H31 S32 F37 L38H31-L34 HydrophobicContact CB-CB 4.34Å; H31-L34 PolarHBondContact O-N 2.65Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3.26Å; S32-L34 VanDerWaalsContact O-N 3.15Å; L34-F37 WeakPolarHBondContact O-CB 3.17Å; L34-F37 PolarHBondContact O-N 3.26Å; L34-F37 VanDerWaalsContact O-N 3.15Å; L34-L38 HydrophobicContact CD2-CD1 3.65Å; L34-L38 HydrophobicContact CD2-CG 3.96Å; L34-L38 PolarHBondContact O-N 3Å
35L51.7Low53.7Low53 Ų53100.1 Ų100.128%0.27750%0.502SS..Hα-helixtrans-77.1-24.9-178.6-128.4160.9000112.7P30 H31 S32 K39P30-L35 HydrophobicContact CB-CB 4.38Å; P30-L35 HydrophobicContact CB-CD1 3.64Å; P30-L35 HydrophobicContact CG-CB 4.37Å; P30-L35 HydrophobicContact CG-CD1 3.69Å; H31-L35 PolarHBondContact O-N 3.47Å; H31-L35 VanDerWaalsContact O-N 3.13Å; S32-L35 PolarHBondContact O-N 3.49Å; L35-K39 HydrophobicContact CD2-CD 4.36Å; L35-K39 HydrophobicContact CD2-CG 4.29Å; L35-K39 VanDerWaalsContact O-CB 3.23Å; L35-K39 WeakPolarHBondContact O-CB 3.08Å; L35-K39 VanDerWaalsContact O-CG 3.3Å; L35-K39 WeakPolarHBondContact O-CG 3.49Å; L35-K39 PolarHBondContact O-N 3.15Å
36D51.7Low56.3Low94 Ų9497.1 Ų97.150%0.50348%0.478SS..Hα-helixtrans-87.7-1.5167.6-56.8-36.5000112.8S32 G40S32-D36 WeakPolarHBondContact CB-OD2 3.4Å; S32-D36 WeakPolarHBondContact O-CA 3.06Å; S32-D36 WeakPolarHBondContact O-CB 3.44Å; S32-D36 VanDerWaalsContact O-CG 3.29Å; S32-D36 PolarHBondContact O-N 2.83Å; D36-G40 WeakPolarHBondContact O-CA 3.23Å; D36-G40 PolarHBondContact O-N 3.06Å; D36-G40 VanDerWaalsContact O-N 3.15Å
37F51.8Low59.2Low102 Ų10288.8 Ų88.845%0.44745%0.454SS..Hα-helixtrans-92.5-33.7163.1-169.6-76000110.9S33 L34 G40 L44S33-F37 WeakPolarHBondContact O-CB 3.3Å; S33-F37 PolarHBondContact O-N 3.24Å; L34-F37 WeakPolarHBondContact O-CB 3.17Å; L34-F37 PolarHBondContact O-N 3.26Å; L34-F37 VanDerWaalsContact O-N 3.15Å; F37-G40 VanDerWaalsContact C-N 3.25Å; F37-G40 VanDerWaalsContact O-CA 3.32Å; F37-G40 WeakPolarHBondContact O-CA 3.31Å; F37-G40 PolarHBondContact O-N 3.26Å; F37-L44 HydrophobicContact CD2-CD2 3.87Å; F37-L44 HydrophobicContact CE1-CD2 4.45Å; F37-L44 HydrophobicContact CE2-CD2 3.45Å; F37-L44 VanDerWaalsContact CE2-CD2 3.45Å; F37-L44 HydrophobicContact CZ-CD2 3.78Å
38L51.3Low61.9Low89 Ų8985.4 Ų85.447%0.46643%0.428SS..Hα-helixtrans-82-30.1173.4-67.7174.2000113.7L34 L180L34-L38 HydrophobicContact CD2-CD1 3.65Å; L34-L38 HydrophobicContact CD2-CG 3.96Å; L34-L38 PolarHBondContact O-N 3Å; L38-L180 WeakPolarHBondContact O-CD1 3.42Å
39K54.3Low64.7Low157 Ų15775.7 Ų75.768%0.68339%0.39SS*.SBendtrans-80.5-3.2154.8-67.9173.3176.7171.80112.3L35L35-K39 HydrophobicContact CD2-CD 4.36Å; L35-K39 HydrophobicContact CD2-CG 4.29Å; L35-K39 VanDerWaalsContact O-CB 3.23Å; L35-K39 WeakPolarHBondContact O-CB 3.08Å; L35-K39 VanDerWaalsContact O-CG 3.3Å; L35-K39 WeakPolarHBondContact O-CG 3.49Å; L35-K39 PolarHBondContact O-N 3.15Å
40G54.6Low67.3Low14 Ų1466.5 Ų66.514%0.14436%0.358CS..SBendtrans-55.1148.5-170.700000111.8D36 F37 P42D36-G40 WeakPolarHBondContact O-CA 3.23Å; D36-G40 PolarHBondContact O-N 3.06Å; D36-G40 VanDerWaalsContact O-N 3.15Å; F37-G40 VanDerWaalsContact C-N 3.25Å; F37-G40 VanDerWaalsContact O-CA 3.32Å; F37-G40 WeakPolarHBondContact O-CA 3.31Å; F37-G40 PolarHBondContact O-N 3.26Å; G40-P42 VanDerWaalsContact O-N 3.16Å
41E62.9Low69.6Low115 Ų11568.5 Ų68.554%0.53736%0.364SS..  trans-47.4127.6-173.9-59.1-159.1113.400109.5K43 L44E41-K43 HydrophobicContact CB-CB 4.13Å; E41-K43 HydrophobicContact CB-CD 4.3Å; E41-K43 HydrophobicContact CB-CG 4.14Å; E41-K43 PolarHBondContact O-N 3.04Å; E41-K43 WeakPolarHBondContact OE1-CE 3.24Å; E41-K43 IonicContact OE1-NZ 2.63Å; E41-K43 PolarHBondContact OE1-NZ 3.21Å; E41-K43 WeakPolarHBondContact OE2-CD 3.34Å; E41-K43 WeakPolarHBondContact OE2-CE 3.26Å; E41-K43 IonicContact OE2-NZ 2.65Å; E41-K43 PolarHBondContact OE2-NZ 3.39Å; E41-L44 PolarHBondContact O-N 3.21Å
42P72.3Confident72.1Confident50 Ų5064.8 Ų64.833%0.32535%0.348SS..Hα-helixtrans-59.2-16.6-176.522.3-33.3000112.4G40 L44 L45 G46 T97G40-P42 VanDerWaalsContact O-N 3.16Å; P42-L44 VanDerWaalsContact C-N 3.27Å; P42-L44 PolarHBondContact O-N 3.4Å; P42-L45 PolarHBondContact O-N 2.97Å; P42-G46 PolarHBondContact O-N 2.84Å; P42-T97 HydrophobicContact CB-CG2 4.18Å; P42-T97 WeakPolarHBondContact O-CG2 3.43Å
43K80.9Confident74.2Confident65 Ų6561.3 Ų61.328%0.28332%0.323SS..Hα-helixtrans-46.1-42.3163.4-52.3-178.6-156.4153.70113.8E41 A47 M98E41-K43 HydrophobicContact CB-CB 4.13Å; E41-K43 HydrophobicContact CB-CD 4.3Å; E41-K43 HydrophobicContact CB-CG 4.14Å; E41-K43 PolarHBondContact O-N 3.04Å; E41-K43 WeakPolarHBondContact OE1-CE 3.24Å; E41-K43 IonicContact OE1-NZ 2.63Å; E41-K43 PolarHBondContact OE1-NZ 3.21Å; E41-K43 WeakPolarHBondContact OE2-CD 3.34Å; E41-K43 WeakPolarHBondContact OE2-CE 3.26Å; E41-K43 IonicContact OE2-NZ 2.65Å; E41-K43 PolarHBondContact OE2-NZ 3.39Å; K43-A47 VanDerWaalsContact O-CB 3.25Å; K43-A47 WeakPolarHBondContact O-CB 3.35Å; K43-A47 PolarHBondContact O-N 3.11Å; K43-M98 HydrophobicContact CB-CG 4.31Å; K43-M98 HydrophobicContact CG-CG 4.44Å
44L87Confident76.2Confident72 Ų7262.5 Ų62.538%0.37732%0.324SS..Hα-helixtrans-72.4-47.6-178.5-178.457.7000111.8F37 E41 P42 G46 A47 I48F37-L44 HydrophobicContact CD2-CD2 3.87Å; F37-L44 HydrophobicContact CE1-CD2 4.45Å; F37-L44 HydrophobicContact CE2-CD2 3.45Å; F37-L44 VanDerWaalsContact CE2-CD2 3.45Å; F37-L44 HydrophobicContact CZ-CD2 3.78Å; E41-L44 PolarHBondContact O-N 3.21Å; P42-L44 VanDerWaalsContact C-N 3.27Å; P42-L44 PolarHBondContact O-N 3.4Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.17Å; L44-A47 PolarHBondContact O-N 3.06Å; L44-I48 HydrophobicContact CD1-CD1 4.32Å; L44-I48 HydrophobicContact CG-CD1 4.2Å; L44-I48 WeakPolarHBondContact O-CG1 3.45Å; L44-I48 PolarHBondContact O-N 3.18Å
45L87.5Confident78.3Confident22 Ų2260 Ų6012%0.11531%0.313CS..Hα-helixtrans-61-42.8175.1-78.671.6000110.3P42 A47 I48 Q49 I173 T176 V177P42-L45 PolarHBondContact O-N 2.97Å; L45-A47 PolarHBondContact O-N 3.22Å; L45-I48 PolarHBondContact O-N 3.07Å; L45-Q49 WeakPolarHBondContact O-CG 3.49Å; L45-Q49 PolarHBondContact O-N 3.31Å; L45-I173 HydrophobicContact CB-CG2 4.29Å; L45-I173 HydrophobicContact CD2-CG2 4.46Å; L45-T176 HydrophobicContact CD2-CG2 4.39Å; L45-V177 HydrophobicContact CB-CG2 4.33Å; L45-V177 HydrophobicContact CD2-CG2 3.75Å
46G90Very high80.4Confident0 Ų057.5 Ų57.50%030%0.299CS..Hα-helixtrans-62.5-37.2174.300000113.8P42 L44 Q49 I50 G94P42-G46 PolarHBondContact O-N 2.84Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.17Å; G46-Q49 PolarHBondContact O-N 2.94Å; G46-I50 WeakPolarHBondContact O-CD1 3.33Å; G46-I50 VanDerWaalsContact O-CG1 3.26Å; G46-I50 WeakPolarHBondContact O-CG1 3.29Å; G46-I50 PolarHBondContact O-N 3.11Å; G46-G94 WeakPolarHBondContact O-CA 3.28Å
47A91.6Very high82.4Confident43 Ų4355.2 Ų55.236%0.35529%0.289SS..Hα-helixtrans-67.7-34.917400000112.5K43 L44 L45 I50 L51K43-A47 VanDerWaalsContact O-CB 3.25Å; K43-A47 WeakPolarHBondContact O-CB 3.35Å; K43-A47 PolarHBondContact O-N 3.11Å; L44-A47 PolarHBondContact O-N 3.06Å; L45-A47 PolarHBondContact O-N 3.22Å; A47-I50 PolarHBondContact O-N 3Å; A47-L51 PolarHBondContact O-N 3.41Å
48I92.6Very high84.4Confident52 Ų5251.8 Ų51.827%0.26728%0.283SS..Hα-helixtrans-68.2-44.3174.1-64.3164.1000110.3L44 L45 I50 L51 L52 I173L44-I48 HydrophobicContact CD1-CD1 4.32Å; L44-I48 HydrophobicContact CG-CD1 4.2Å; L44-I48 WeakPolarHBondContact O-CG1 3.45Å; L44-I48 PolarHBondContact O-N 3.18Å; L45-I48 PolarHBondContact O-N 3.07Å; I48-I50 VanDerWaalsContact C-N 3.3Å; I48-I50 PolarHBondContact O-N 3.28Å; I48-L51 PolarHBondContact O-N 3Å; I48-L51 VanDerWaalsContact O-N 3.09Å; I48-L52 HydrophobicContact CG2-CD1 3.82Å; I48-L52 HydrophobicContact CG2-CG 4.13Å; I48-L52 WeakPolarHBondContact O-CG 3.24Å; I48-L52 PolarHBondContact O-N 3.22Å; I48-I173 HydrophobicContact CB-CD1 4.38Å; I48-I173 HydrophobicContact CG2-CD1 3.55Å
49Q93.2Very high86.4Confident0 Ų050.1 Ų50.10%027%0.271CS..Hα-helixtrans-56.6-42.2172.6-67.2179.9-57.600111.8L45 G46 L51 S53 T97 N115 I173L45-Q49 WeakPolarHBondContact O-CG 3.49Å; L45-Q49 PolarHBondContact O-N 3.31Å; G46-Q49 PolarHBondContact O-N 2.94Å; Q49-L51 PolarHBondContact O-N 3.03Å; Q49-S53 WeakPolarHBondContact O-CB 3.24Å; Q49-S53 PolarHBondContact O-N 3.01Å; Q49-T97 PolarHBondContact OE1-OG1 3.21Å; Q49-N115 PolarHBondContact NE2-OD1 2.9Å; Q49-N115 VanDerWaalsContact NE2-OD1 3.13Å; Q49-I173 HydrophobicContact CG-CG2 3.73Å
50I94.4Very high88.2Confident34 Ų3442.6 Ų42.617%0.17424%0.239CC..Hα-helixtrans-63.2-41.4175.2-68.7162.9000111.4G46 A47 I48 L54 L91 L95G46-I50 WeakPolarHBondContact O-CD1 3.33Å; G46-I50 VanDerWaalsContact O-CG1 3.26Å; G46-I50 WeakPolarHBondContact O-CG1 3.29Å; G46-I50 PolarHBondContact O-N 3.11Å; A47-I50 PolarHBondContact O-N 3Å; I48-I50 VanDerWaalsContact C-N 3.3Å; I48-I50 PolarHBondContact O-N 3.28Å; I50-L54 HydrophobicContact CG2-CD1 4.27Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.39Å; I50-L91 HydrophobicContact CB-CD1 4.41Å; I50-L91 HydrophobicContact CG1-CD1 4.22Å; I50-L91 HydrophobicContact CG2-CD1 3.96Å; I50-L95 HydrophobicContact CD1-CD2 3.88Å; I50-L95 HydrophobicContact CD1-CG 4.12Å; I50-L95 HydrophobicContact CG1-CG 4.43Å
51L95.1Very high89.8Confident110 Ų11045.3 Ų45.358%0.57625%0.25SS*.Hα-helixtrans-68.1-47179.7-17862.7000112.1A47 I48 Q49 L54 V55A47-L51 PolarHBondContact O-N 3.41Å; I48-L51 PolarHBondContact O-N 3Å; I48-L51 VanDerWaalsContact O-N 3.09Å; Q49-L51 PolarHBondContact O-N 3.03Å; L51-L54 PolarHBondContact O-N 3.49Å; L51-V55 WeakPolarHBondContact O-CG2 3.28Å; L51-V55 PolarHBondContact O-N 3.28Å; L51-V55 VanDerWaalsContact O-N 3.11Å
52L94.9Very high91.1Very high29 Ų2943.4 Ų43.415%0.15224%0.243CC..Hα-helixtrans-64.1-44.7179.5-66.8175.7000111.3I48 L54 V55 I56 I166 V169 E170 I173I48-L52 HydrophobicContact CG2-CD1 3.82Å; I48-L52 HydrophobicContact CG2-CG 4.13Å; I48-L52 WeakPolarHBondContact O-CG 3.24Å; I48-L52 PolarHBondContact O-N 3.22Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 3.33Å; L52-V55 PolarHBondContact O-N 2.89Å; L52-V55 VanDerWaalsContact O-N 3.07Å; L52-I56 WeakPolarHBondContact O-CG1 3.17Å; L52-I56 PolarHBondContact O-N 2.92Å; L52-I166 HydrophobicContact CB-CG2 4.07Å; L52-I166 HydrophobicContact CD2-CG2 4.12Å; L52-V169 HydrophobicContact CD1-CB 4.3Å; L52-V169 HydrophobicContact CD1-CG1 3.61Å; L52-E170 HydrophobicContact CB-CG 4.15Å; L52-E170 WeakPolarHBondContact CB-OE1 3.33Å; L52-E170 HydrophobicContact CD1-CG 4.19Å; L52-I173 HydrophobicContact CD1-CD1 3.8Å
53S95.6Very high91.7Very high2 Ų241.1 Ų41.11%0.01423%0.228CC..Hα-helixtrans-48.5-50.4169.2170.50000112.9Q49 V55 I56 V57 A87 L91Q49-S53 WeakPolarHBondContact O-CB 3.24Å; Q49-S53 PolarHBondContact O-N 3.01Å; S53-V55 VanDerWaalsContact C-N 3.3Å; S53-V55 PolarHBondContact O-N 3.41Å; S53-I56 PolarHBondContact O-N 2.78Å; S53-V57 PolarHBondContact O-N 2.87Å; S53-A87 PolarHBondContact OG-O 3.23Å; S53-L91 WeakPolarHBondContact OG-CB 3.48Å
54L95.4Very high92Very high102 Ų10239 Ų3953%0.53422%0.223SC..Hα-helixtrans-64.6-33.5179.7-70.9170000112.6I50 L51 L52 V57 G58I50-L54 HydrophobicContact CG2-CD1 4.27Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.47Å; I50-L54 PolarHBondContact O-N 3.39Å; L51-L54 PolarHBondContact O-N 3.49Å; L52-L54 VanDerWaalsContact C-N 3.33Å; L52-L54 PolarHBondContact O-N 3.33Å; L54-V57 PolarHBondContact O-N 2.79Å; L54-G58 PolarHBondContact O-N 2.06Å
55V95.8Very high91.8Very high55 Ų5540.3 Ų40.333%0.33323%0.229SC..Hα-helixtrans-70.7-38.5174.9176.90000111.5L51 L52 S53 G58 F59 I166L51-V55 WeakPolarHBondContact O-CG2 3.28Å; L51-V55 PolarHBondContact O-N 3.28Å; L51-V55 VanDerWaalsContact O-N 3.11Å; L52-V55 PolarHBondContact O-N 2.89Å; L52-V55 VanDerWaalsContact O-N 3.07Å; S53-V55 VanDerWaalsContact C-N 3.3Å; S53-V55 PolarHBondContact O-N 3.41Å; V55-G58 WeakPolarHBondContact O-CA 3.47Å; V55-G58 PolarHBondContact O-N 3.33Å; V55-G58 VanDerWaalsContact O-N 3.11Å; V55-F59 HydrophobicContact CG1-CD2 3.7Å; V55-F59 HydrophobicContact CG1-CE2 3.5Å; V55-F59 WeakPolarHBondContact O-CD2 3.14Å; V55-F59 PolarHBondContact O-N 3.37Å; V55-I166 HydrophobicContact CB-CD1 4.39Å; V55-I166 HydrophobicContact CG1-CD1 3.56Å
56I95Very high91.4Very high0 Ų042.9 Ų42.90%024%0.243CC..Hα-helixtrans-59.9-45.7172.5-64.2164.8000110.4L52 S53 G58 F59 G60 P83 A87 F90 L163 I166 T167 E170L52-I56 WeakPolarHBondContact O-CG1 3.17Å; L52-I56 PolarHBondContact O-N 2.92Å; S53-I56 PolarHBondContact O-N 2.78Å; I56-G58 VanDerWaalsContact C-N 3.28Å; I56-G58 PolarHBondContact O-N 3.33Å; I56-F59 PolarHBondContact O-N 2.92Å; I56-G60 PolarHBondContact O-N 2.87Å; I56-P83 HydrophobicContact CG2-CB 3.99Å; I56-A87 HydrophobicContact CB-CB 4.19Å; I56-A87 HydrophobicContact CG2-CB 4.03Å; I56-F90 HydrophobicContact CD1-CD2 3.57Å; I56-F90 HydrophobicContact CD1-CE2 3.65Å; I56-L163 HydrophobicContact CB-CD2 4.42Å; I56-L163 HydrophobicContact CG1-CD2 4.37Å; I56-L163 HydrophobicContact CG2-CD2 4.09Å; I56-I166 HydrophobicContact CD1-CG2 3.82Å; I56-I166 HydrophobicContact CG1-CG2 3.62Å; I56-T167 HydrophobicContact CD1-CG2 4.47Å; I56-E170 HydrophobicContact CD1-CG 4.42Å
57V94.9Very high90.7Very high46 Ų4644.2 Ų44.228%0.27925%0.249SC..Hα-helixtrans-61.6-37.8174.2176.50000111.1S53 L54 G60 N61 A87S53-V57 PolarHBondContact O-N 2.87Å; L54-V57 PolarHBondContact O-N 2.79Å; V57-G60 PolarHBondContact O-N 2.81Å; V57-N61 VanDerWaalsContact CG1-ND2 3.33Å; V57-N61 WeakPolarHBondContact CG1-ND2 3.36Å; V57-N61 PolarHBondContact O-N 3.35Å; V57-N61 PolarHBondContact O-ND2 2.98Å; V57-A87 HydrophobicContact CG2-CB 3.44Å; V57-A87 VanDerWaalsContact CG2-CB 3.44Å
58G93.4Very high89.9Confident31 Ų3146.9 Ų46.932%0.3226%0.261SS..Hα-helixtrans-57.2-57.2174.400000112.4L54 V55 I56 G60 N61 I62L54-G58 PolarHBondContact O-N 2.06Å; V55-G58 WeakPolarHBondContact O-CA 3.47Å; V55-G58 PolarHBondContact O-N 3.33Å; V55-G58 VanDerWaalsContact O-N 3.11Å; I56-G58 VanDerWaalsContact C-N 3.28Å; I56-G58 PolarHBondContact O-N 3.33Å; G58-G60 VanDerWaalsContact C-N 3.34Å; G58-G60 PolarHBondContact O-N 3.27Å; G58-N61 PolarHBondContact O-N 3.37Å; G58-I62 WeakPolarHBondContact O-CG1 3.44Å; G58-I62 PolarHBondContact O-N 2.83Å
59F92.5Very high88.5Confident53 Ų5352.3 Ų52.323%0.23228%0.283CS..Hα-helixtrans-65-35.7177.4-74.2-64.4000112.9V55 I56 N61 I62 L63 I159 V162 L163 I166V55-F59 HydrophobicContact CG1-CD2 3.7Å; V55-F59 HydrophobicContact CG1-CE2 3.5Å; V55-F59 WeakPolarHBondContact O-CD2 3.14Å; V55-F59 PolarHBondContact O-N 3.37Å; I56-F59 PolarHBondContact O-N 2.92Å; F59-N61 PolarHBondContact O-N 3.1Å; F59-I62 HydrophobicContact CD1-CD1 4.19Å; F59-I62 PolarHBondContact O-N 3.11Å; F59-L63 WeakPolarHBondContact O-CG 3.3Å; F59-L63 PolarHBondContact O-N 3.11Å; F59-I159 HydrophobicContact CB-CG2 3.94Å; F59-I159 HydrophobicContact CD1-CB 4.46Å; F59-I159 HydrophobicContact CD1-CG1 4.15Å; F59-I159 HydrophobicContact CD1-CG2 3.68Å; F59-I159 HydrophobicContact CE1-CG1 4.4Å; F59-I159 HydrophobicContact CG-CG2 4.08Å; F59-V162 HydrophobicContact CD2-CG1 4.1Å; F59-V162 HydrophobicContact CE2-CB 4.45Å; F59-V162 HydrophobicContact CE2-CG1 3.42Å; F59-V162 VanDerWaalsContact CE2-CG1 3.42Å; F59-V162 HydrophobicContact CZ-CB 4.45Å; F59-V162 HydrophobicContact CZ-CG1 3.72Å; F59-L163 HydrophobicContact CB-CD1 4.37Å; F59-L163 HydrophobicContact CB-CD2 3.95Å; F59-L163 HydrophobicContact CB-CG 4.16Å; F59-I166 HydrophobicContact CD2-CD1 4.46Å; F59-I166 HydrophobicContact CE2-CD1 4.34Å
60G92.1Very high87.1Confident0 Ų056.5 Ų56.50%031%0.312CS..Hα-helixtrans-57.9-44.3172.900000113.2I56 V57 G58 A64 P83I56-G60 PolarHBondContact O-N 2.87Å; V57-G60 PolarHBondContact O-N 2.81Å; G58-G60 VanDerWaalsContact C-N 3.34Å; G58-G60 PolarHBondContact O-N 3.27Å; G60-A64 VanDerWaalsContact O-CB 3.24Å; G60-A64 WeakPolarHBondContact O-CB 3.29Å; G60-A64 PolarHBondContact O-N 3.36Å; G60-P83 VanDerWaalsContact CA-CB 3.46Å
61N89.4Confident85.5Confident71 Ų7157.7 Ų57.738%0.3832%0.324SS..Hα-helixtrans-68.2-40.4173.6-78.8-75.3000112.3V57 G58 F59 A64 L65V57-N61 VanDerWaalsContact CG1-ND2 3.33Å; V57-N61 WeakPolarHBondContact CG1-ND2 3.36Å; V57-N61 PolarHBondContact O-N 3.35Å; V57-N61 PolarHBondContact O-ND2 2.98Å; G58-N61 PolarHBondContact O-N 3.37Å; F59-N61 PolarHBondContact O-N 3.1Å; N61-A64 PolarHBondContact O-N 2.83Å; N61-L65 VanDerWaalsContact O-CB 3.31Å; N61-L65 WeakPolarHBondContact O-CB 3.38Å; N61-L65 VanDerWaalsContact O-CG 3.23Å; N61-L65 WeakPolarHBondContact O-CG 3.49Å; N61-L65 PolarHBondContact O-N 2.96Å
62I88.9Confident83.9Confident75 Ų7561.4 Ų61.439%0.38534%0.335SS..Hα-helixtrans-59.6-48176.5-69.1165.2000110.3G58 F59 N66 I159G58-I62 WeakPolarHBondContact O-CG1 3.44Å; G58-I62 PolarHBondContact O-N 2.83Å; F59-I62 HydrophobicContact CD1-CD1 4.19Å; F59-I62 PolarHBondContact O-N 3.11Å; I62-N66 WeakPolarHBondContact O-CB 3.44Å; I62-N66 PolarHBondContact O-N 3.11Å; I62-N66 PolarHBondContact O-ND2 2.96Å; I62-I159 HydrophobicContact CG2-CD1 3.94Å
63L86.3Confident82.6Confident2 Ų266.7 Ų66.71%0.0136%0.359CS..Hα-helixtrans-61.8-53175.4-69.8173.8000111.2F59 L65 N66 F67 I78 L156 I159 L163F59-L63 WeakPolarHBondContact O-CG 3.3Å; F59-L63 PolarHBondContact O-N 3.11Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.41Å; L63-N66 PolarHBondContact O-N 3.4Å; L63-N66 VanDerWaalsContact O-N 3.15Å; L63-F67 HydrophobicContact CD2-CE2 4.17Å; L63-F67 VanDerWaalsContact O-CD2 3.24Å; L63-F67 WeakPolarHBondContact O-CD2 3.29Å; L63-F67 PolarHBondContact O-N 3.42Å; L63-I78 HydrophobicContact CB-CD1 3.57Å; L63-I78 HydrophobicContact CB-CG1 3.89Å; L63-I78 HydrophobicContact CD1-CD1 4Å; L63-I78 HydrophobicContact CD1-CG1 4.24Å; L63-I78 HydrophobicContact CG-CD1 4.46Å; L63-L156 HydrophobicContact CD2-CD1 3.63Å; L63-I159 HydrophobicContact CD1-CG2 3.86Å; L63-I159 HydrophobicContact CD2-CB 4.14Å; L63-I159 HydrophobicContact CD2-CD1 4.06Å; L63-I159 HydrophobicContact CD2-CG2 3.79Å; L63-I159 HydrophobicContact CG-CG2 3.75Å; L63-L163 HydrophobicContact CD1-CD1 3.75Å
64A85.8Confident81.6Confident21 Ų2171.1 Ų71.117%0.17438%0.378CS..Hα-helixtrans-56.9-41.7-178.100000112.4G60 N61 T68 F84G60-A64 VanDerWaalsContact O-CB 3.24Å; G60-A64 WeakPolarHBondContact O-CB 3.29Å; G60-A64 PolarHBondContact O-N 3.36Å; N61-A64 PolarHBondContact O-N 2.83Å; A64-T68 VanDerWaalsContact O-CB 3.26Å; A64-T68 WeakPolarHBondContact O-CB 3.11Å; A64-T68 PolarHBondContact O-N 3.41Å; A64-T68 PolarHBondContact O-OG1 2.98Å; A64-F84 HydrophobicContact CB-CZ 4.03Å
65L84.1Confident80.8Confident98 Ų9866.8 Ų66.851%0.51336%0.356SS..Hα-helixtrans-64.6-49.9175.2-72.2169.2000111.6N61 L63 F67 T68 F69N61-L65 VanDerWaalsContact O-CB 3.31Å; N61-L65 WeakPolarHBondContact O-CB 3.38Å; N61-L65 VanDerWaalsContact O-CG 3.23Å; N61-L65 WeakPolarHBondContact O-CG 3.49Å; N61-L65 PolarHBondContact O-N 2.96Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.41Å; L65-F67 PolarHBondContact O-N 3.29Å; L65-T68 PolarHBondContact O-N 3.44Å; L65-F69 HydrophobicContact CD2-CE2 4.33Å; L65-F69 WeakPolarHBondContact O-CD2 3.3Å; L65-F69 PolarHBondContact O-N 3.46Å
66N78.9Confident80.2Confident77 Ų7766 Ų6641%0.41235%0.35SS..Hα-helixtrans-58.4-44.8-179.5-82.5-68.3000112.5I62 L63 F69 S70I62-N66 WeakPolarHBondContact O-CB 3.44Å; I62-N66 PolarHBondContact O-N 3.11Å; I62-N66 PolarHBondContact O-ND2 2.96Å; L63-N66 PolarHBondContact O-N 3.4Å; L63-N66 VanDerWaalsContact O-N 3.15Å; N66-F69 PolarHBondContact O-N 2.99Å; N66-S70 VanDerWaalsContact O-CB 3.24Å; N66-S70 WeakPolarHBondContact O-CB 3.49Å; N66-S70 PolarHBondContact O-N 2.92Å; N66-S70 PolarHBondContact O-OG 3.46Å; N66-S70 VanDerWaalsContact O-OG 3.04Å
67F75.5Confident79.7Confident27 Ų2766 Ų6612%0.11835%0.35CS..Hα-helixtrans-70.5-36.9177.9-75.1-71.5000113L63 L65 F69 S70 S71 E73 F74 P75 L156L63-F67 HydrophobicContact CD2-CE2 4.17Å; L63-F67 VanDerWaalsContact O-CD2 3.24Å; L63-F67 WeakPolarHBondContact O-CD2 3.29Å; L63-F67 PolarHBondContact O-N 3.42Å; L65-F67 PolarHBondContact O-N 3.29Å; F67-F69 PolarHBondContact O-N 2.71Å; F67-F69 VanDerWaalsContact O-N 3.17Å; F67-S70 PolarHBondContact O-N 2.95Å; F67-S71 PolarHBondContact O-N 2.94Å; F67-E73 WeakPolarHBondContact CD1-O 3.39Å; F67-F74 HydrophobicContact CB-CD1 3.63Å; F67-F74 HydrophobicContact CB-CE1 3.74Å; F67-F74 HydrophobicContact CG-CD1 4.31Å; F67-P75 HydrophobicContact CD2-CG 4.08Å; F67-P75 VanDerWaalsContact CE2-CD 3.44Å; F67-P75 HydrophobicContact CE2-CG 3.53Å; F67-P75 VanDerWaalsContact CZ-CD 3.49Å; F67-P75 HydrophobicContact CZ-CG 3.83Å; F67-L156 HydrophobicContact CE2-CD1 3.69Å; F67-L156 HydrophobicContact CZ-CD1 3.66Å; F67-L156 HydrophobicContact CZ-CD2 3.78Å; F67-L156 HydrophobicContact CZ-CG 4.33Å
68T73.5Confident79.2Confident99 Ų9964.9 Ų64.961%0.60734%0.342SS*.Hα-helixtrans-59-27.6175.6-61.50000112.7A64 L65A64-T68 VanDerWaalsContact O-CB 3.26Å; A64-T68 WeakPolarHBondContact O-CB 3.11Å; A64-T68 PolarHBondContact O-N 3.41Å; A64-T68 PolarHBondContact O-OG1 2.98Å; L65-T68 PolarHBondContact O-N 3.44Å
69F64.3Low78.9Confident167 Ų16769.5 Ų69.573%0.73236%0.359SS*.Hα-helixtrans-95.9-18.3178.1-66.8-60000115.1L65 N66 F67L65-F69 HydrophobicContact CD2-CE2 4.33Å; L65-F69 WeakPolarHBondContact O-CD2 3.3Å; L65-F69 PolarHBondContact O-N 3.46Å; N66-F69 PolarHBondContact O-N 2.99Å; F67-F69 PolarHBondContact O-N 2.71Å; F67-F69 VanDerWaalsContact O-N 3.17Å
70S63.2Low78.8Confident88 Ų8869.5 Ų69.562%0.61536%0.363SS*.Hα-helixtrans-130-13.2-159.2-53.60000117.6N66 F67N66-S70 VanDerWaalsContact O-CB 3.24Å; N66-S70 WeakPolarHBondContact O-CB 3.49Å; N66-S70 PolarHBondContact O-N 2.92Å; N66-S70 PolarHBondContact O-OG 3.46Å; N66-S70 VanDerWaalsContact O-OG 3.04Å; F67-S70 PolarHBondContact O-N 2.95Å
71S61.1Low78.7Confident59 Ų5970.4 Ų70.441%0.41337%0.373SS..  trans-150151.7-171.4-47.30000114.9F67 E73F67-S71 PolarHBondContact O-N 2.94Å; S71-E73 WeakPolarHBondContact CB-O 3.38Å
72K60.4Low78.9Confident188 Ų18867.1 Ų67.182%0.81736%0.355SS*.SBendtrans-81.2-20.2167.5-74.1-173.4176.2-177.70113.2
73E69.3Low79.1Confident139 Ų13963.6 Ų63.665%0.6534%0.337SS*.  trans-108.3131.8-176.5-64.9179.2-175.800109.4F67 S71F67-E73 WeakPolarHBondContact CD1-O 3.39Å; S71-E73 WeakPolarHBondContact CB-O 3.38Å
74F73.2Confident79.5Confident95 Ų9567.1 Ų67.142%0.41735%0.352SS..  trans-111.5136.9179.5-63-91.9000108.9F67 I78F67-F74 HydrophobicContact CB-CD1 3.63Å; F67-F74 HydrophobicContact CB-CE1 3.74Å; F67-F74 HydrophobicContact CG-CD1 4.31Å; F74-I78 HydrophobicContact CD1-CG2 4.25Å
75P78.2Confident79.9Confident12 Ų1271.3 Ų71.38%0.07836%0.364CS..  trans-63.6147.3174.527.9-35000110.3F67 V77 I78 L79 L156F67-P75 HydrophobicContact CD2-CG 4.08Å; F67-P75 VanDerWaalsContact CE2-CD 3.44Å; F67-P75 HydrophobicContact CE2-CG 3.53Å; F67-P75 VanDerWaalsContact CZ-CD 3.49Å; F67-P75 HydrophobicContact CZ-CG 3.83Å; P75-V77 PolarHBondContact O-N 3.45Å; P75-V77 VanDerWaalsContact O-N 3.11Å; P75-I78 HydrophobicContact CG-CB 4.18Å; P75-I78 HydrophobicContact CG-CG1 3.92Å; P75-I78 PolarHBondContact O-N 2.82Å; P75-L79 PolarHBondContact O-N 3.26Å; P75-L79 VanDerWaalsContact O-N 3.1Å; P75-L156 HydrophobicContact CG-CD1 4.49Å
76L83.3Confident80.5Confident37 Ų3766.7 Ų66.719%0.19434%0.339CS..Hα-helixtrans-54.7-36.6-172.7-164.871.7000113.2I78 L79 T80 L128 L131L76-I78 VanDerWaalsContact C-N 3.27Å; L76-I78 PolarHBondContact O-N 3.46Å; L76-L79 PolarHBondContact O-N 3.18Å; L76-T80 HydrophobicContact CG-CG2 4.34Å; L76-T80 WeakPolarHBondContact O-CB 3.24Å; L76-T80 WeakPolarHBondContact O-CG2 3.49Å; L76-T80 PolarHBondContact O-N 2.88Å; L76-T80 PolarHBondContact O-OG1 3.2Å; L76-L128 HydrophobicContact CD2-CD2 3.89Å; L76-L128 HydrophobicContact CG-CD2 4.2Å; L76-L131 HydrophobicContact CD2-CB 3.83Å; L76-L131 HydrophobicContact CD2-CD1 4.13Å
77V85.3Confident81.3Confident0 Ų063 Ų630%032%0.32CS..Hα-helixtrans-54.9-36.6172.7161.50000113.3P75 T80 G81 Y82 P83 L128 S132 L160P75-V77 PolarHBondContact O-N 3.45Å; P75-V77 VanDerWaalsContact O-N 3.11Å; V77-T80 PolarHBondContact O-OG1 3.02Å; V77-G81 PolarHBondContact O-N 2.97Å; V77-Y82 PolarHBondContact O-N 2.96Å; V77-P83 HydrophobicContact CG1-CG 3.57Å; V77-P83 VanDerWaalsContact O-CD 3.24Å; V77-P83 WeakPolarHBondContact O-CD 3.37Å; V77-L128 HydrophobicContact CG2-CB 4.18Å; V77-S132 WeakPolarHBondContact CG2-OG 3.31Å; V77-S132 PolarHBondContact N-OG 2.83Å; V77-L160 HydrophobicContact CG2-CD2 4.47Å
78I85.4Confident82.2Confident23 Ų2365.6 Ų65.612%0.11834%0.338CS..Hα-helixtrans-85.9-39.5179.1-64-64.5000111.3L63 F74 P75 L76 T80 G81 P83L63-I78 HydrophobicContact CB-CD1 3.57Å; L63-I78 HydrophobicContact CB-CG1 3.89Å; L63-I78 HydrophobicContact CD1-CD1 4Å; L63-I78 HydrophobicContact CD1-CG1 4.24Å; L63-I78 HydrophobicContact CG-CD1 4.46Å; F74-I78 HydrophobicContact CD1-CG2 4.25Å; P75-I78 HydrophobicContact CG-CB 4.18Å; P75-I78 HydrophobicContact CG-CG1 3.92Å; P75-I78 PolarHBondContact O-N 2.82Å; L76-I78 VanDerWaalsContact C-N 3.27Å; L76-I78 PolarHBondContact O-N 3.46Å; I78-T80 VanDerWaalsContact C-N 3.28Å; I78-T80 PolarHBondContact O-N 3.23Å; I78-G81 PolarHBondContact O-N 2.88Å; I78-P83 HydrophobicContact CD1-CG 4.19Å
79L85.9Confident83.3Confident129 Ų12962.3 Ų62.368%0.67532%0.316SS*.Hα-helixtrans-60.4-37.5175.3-176.662.8000112.3P75 L76 G81P75-L79 PolarHBondContact O-N 3.26Å; P75-L79 VanDerWaalsContact O-N 3.1Å; L76-L79 PolarHBondContact O-N 3.18Å; L79-G81 VanDerWaalsContact C-N 3.29Å
80T90Very high84.8Confident53 Ų5354.4 Ų54.433%0.32528%0.281SS..THydrogen-bonded Turntrans-81.9-2.3174.655.80000114L76 V77 I78 Y82 W85 L128L76-T80 HydrophobicContact CG-CG2 4.34Å; L76-T80 WeakPolarHBondContact O-CB 3.24Å; L76-T80 WeakPolarHBondContact O-CG2 3.49Å; L76-T80 PolarHBondContact O-N 2.88Å; L76-T80 PolarHBondContact O-OG1 3.2Å; V77-T80 PolarHBondContact O-OG1 3.02Å; I78-T80 VanDerWaalsContact C-N 3.28Å; I78-T80 PolarHBondContact O-N 3.23Å; T80-Y82 PolarHBondContact O-N 2.96Å; T80-Y82 VanDerWaalsContact O-N 3.14Å; T80-W85 PolarHBondContact O-NE1 3.48Å; T80-L128 HydrophobicContact CG2-CD1 4.45Å; T80-L128 HydrophobicContact CG2-CD2 3.9Å
81G91.2Very high86.3Confident19 Ų1952.9 Ų52.920%0.19627%0.266CS..THydrogen-bonded Turntrans61.418-179.300000115V77 I78 L79 F84 W85V77-G81 PolarHBondContact O-N 2.97Å; I78-G81 PolarHBondContact O-N 2.88Å; L79-G81 VanDerWaalsContact C-N 3.29Å; G81-F84 WeakPolarHBondContact O-CB 3.4Å; G81-F84 PolarHBondContact O-N 3.39Å; G81-W85 VanDerWaalsContact C-CD1 3.49Å; G81-W85 PolarHBondContact O-N 3.07Å
82Y93.9Very high87.8Confident2 Ų254.3 Ų54.31%0.00827%0.269CS..Hα-helixtrans-53-45.2-170.3171.7-99.5000114.4V77 T80 F84 W85 G86 F90 T121 L128 T167V77-Y82 PolarHBondContact O-N 2.96Å; T80-Y82 PolarHBondContact O-N 2.96Å; T80-Y82 VanDerWaalsContact O-N 3.14Å; Y82-F84 PolarHBondContact O-N 2.97Å; Y82-W85 HydrophobicContact CD2-CH2 4.13Å; Y82-W85 AromaticContact CD2-CZ2 3.77Å; Y82-W85 HydrophobicContact CD2-CZ2 3.77Å; Y82-W85 HydrophobicContact CE2-CH2 4.44Å; Y82-G86 WeakPolarHBondContact O-CA 3.43Å; Y82-G86 PolarHBondContact O-N 3.34Å; Y82-F90 WeakPolarHBondContact OH-CE2 3.37Å; Y82-F90 WeakPolarHBondContact OH-CZ 3.35Å; Y82-T121 HydrophobicContact CE2-CG2 4.17Å; Y82-T121 WeakPolarHBondContact CE2-O 3.27Å; Y82-T121 PolarHBondContact OH-O 3.27Å; Y82-L128 HydrophobicContact CD2-CD1 4.36Å; Y82-L128 HydrophobicContact CG-CD1 4.35Å; Y82-T167 HydrophobicContact CE1-CG2 3.87Å; Y82-T167 VanDerWaalsContact OH-CG2 3.24Å; Y82-T167 WeakPolarHBondContact OH-CG2 3.33Å
83P93.3Very high89.3Confident0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-63.1-13.3179.3-25.337.1000114.8I56 G60 V77 I78 A87I56-P83 HydrophobicContact CG2-CB 3.99Å; G60-P83 VanDerWaalsContact CA-CB 3.46Å; V77-P83 HydrophobicContact CG1-CG 3.57Å; V77-P83 VanDerWaalsContact O-CD 3.24Å; V77-P83 WeakPolarHBondContact O-CD 3.37Å; I78-P83 HydrophobicContact CD1-CG 4.19Å; P83-A87 VanDerWaalsContact O-CB 3.27Å; P83-A87 WeakPolarHBondContact O-CB 3.4Å
84F94.2Very high90.4Very high77 Ų7738.7 Ų38.734%0.33820%0.199SC..Hα-helixtrans-97.2-57.5177.6-54.3-75.6000111.2A64 G81 Y82 V88A64-F84 HydrophobicContact CB-CZ 4.03Å; G81-F84 WeakPolarHBondContact O-CB 3.4Å; G81-F84 PolarHBondContact O-N 3.39Å; Y82-F84 PolarHBondContact O-N 2.97Å; F84-V88 WeakPolarHBondContact O-CG2 3.45Å; F84-V88 PolarHBondContact O-N 3.14Å
85W94.8Very high91.2Very high109 Ų10937.8 Ų37.841%0.41320%0.198SC..Hα-helixtrans-74-36.6-176.570.4-103.4000112.7T80 G81 Y82 V88 I89 T121 A124T80-W85 PolarHBondContact O-NE1 3.48Å; G81-W85 VanDerWaalsContact C-CD1 3.49Å; G81-W85 PolarHBondContact O-N 3.07Å; Y82-W85 HydrophobicContact CD2-CH2 4.13Å; Y82-W85 AromaticContact CD2-CZ2 3.77Å; Y82-W85 HydrophobicContact CD2-CZ2 3.77Å; Y82-W85 HydrophobicContact CE2-CH2 4.44Å; W85-V88 PolarHBondContact O-N 2.81Å; W85-I89 HydrophobicContact CE3-CD1 3.84Å; W85-I89 HydrophobicContact CZ3-CD1 3.94Å; W85-I89 PolarHBondContact O-N 3.22Å; W85-T121 HydrophobicContact CE3-CG2 4.38Å; W85-T121 HydrophobicContact CH2-CG2 4.39Å; W85-T121 HydrophobicContact CZ3-CG2 3.75Å; W85-A124 HydrophobicContact CH2-CB 4.41Å
86G95.3Very high91.7Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-65.3-44.2177.100000111.5Y82 V88 I89 F90 T121Y82-G86 WeakPolarHBondContact O-CA 3.43Å; Y82-G86 PolarHBondContact O-N 3.34Å; G86-V88 VanDerWaalsContact C-N 3.32Å; G86-V88 PolarHBondContact O-N 3.21Å; G86-I89 WeakPolarHBondContact O-CB 3.5Å; G86-I89 PolarHBondContact O-N 3.33Å; G86-I89 VanDerWaalsContact O-N 3.09Å; G86-F90 VanDerWaalsContact O-CD2 3.27Å; G86-F90 WeakPolarHBondContact O-CD2 3.28Å; G86-F90 WeakPolarHBondContact O-CG 3.39Å; G86-F90 PolarHBondContact O-N 2.7Å; G86-T121 VanDerWaalsContact CA-CG2 3.5Å
87A95.3Very high91.8Very high1 Ų137.3 Ų37.31%0.00820%0.196CC..Hα-helixtrans-62.9-34.8176.200000113.3S53 I56 V57 P83 I89 F90 L91S53-A87 PolarHBondContact OG-O 3.23Å; I56-A87 HydrophobicContact CB-CB 4.19Å; I56-A87 HydrophobicContact CG2-CB 4.03Å; V57-A87 HydrophobicContact CG2-CB 3.44Å; V57-A87 VanDerWaalsContact CG2-CB 3.44Å; P83-A87 VanDerWaalsContact O-CB 3.27Å; P83-A87 WeakPolarHBondContact O-CB 3.4Å; A87-I89 VanDerWaalsContact C-N 3.32Å; A87-I89 PolarHBondContact O-N 3.19Å; A87-F90 PolarHBondContact O-N 3.31Å; A87-L91 WeakPolarHBondContact O-CB 3.17Å; A87-L91 PolarHBondContact O-N 3.22Å
88V95.7Very high91.6Very high80 Ų8041.1 Ų41.149%0.48522%0.215SC..Hα-helixtrans-62.3-38.8173167.20000111.4F84 W85 G86 L91 L92F84-V88 WeakPolarHBondContact O-CG2 3.45Å; F84-V88 PolarHBondContact O-N 3.14Å; W85-V88 PolarHBondContact O-N 2.81Å; G86-V88 VanDerWaalsContact C-N 3.32Å; G86-V88 PolarHBondContact O-N 3.21Å; V88-L91 PolarHBondContact O-N 3.37Å; V88-L92 HydrophobicContact CG1-CD1 3.95Å; V88-L92 HydrophobicContact CG1-CG 4.46Å; V88-L92 WeakPolarHBondContact O-CB 3.4Å; V88-L92 VanDerWaalsContact O-CG 3.26Å; V88-L92 WeakPolarHBondContact O-CG 3.49Å; V88-L92 PolarHBondContact O-N 3.43Å
89I95.3Very high91.1Very high31 Ų3142.9 Ų42.916%0.15923%0.229CC..Hα-helixtrans-67.4-43.1175.8-65.6172.8000110.9W85 G86 A87 L91 L92 T93 L117 T121W85-I89 HydrophobicContact CE3-CD1 3.84Å; W85-I89 HydrophobicContact CZ3-CD1 3.94Å; W85-I89 PolarHBondContact O-N 3.22Å; G86-I89 WeakPolarHBondContact O-CB 3.5Å; G86-I89 PolarHBondContact O-N 3.33Å; G86-I89 VanDerWaalsContact O-N 3.09Å; A87-I89 VanDerWaalsContact C-N 3.32Å; A87-I89 PolarHBondContact O-N 3.19Å; I89-L91 PolarHBondContact O-N 3.36Å; I89-L92 PolarHBondContact O-N 3.19Å; I89-T93 VanDerWaalsContact O-CB 3.31Å; I89-T93 WeakPolarHBondContact O-CB 3.4Å; I89-T93 PolarHBondContact O-N 3.26Å; I89-T93 PolarHBondContact O-OG1 3.22Å; I89-L117 HydrophobicContact CD1-CG 4.45Å; I89-L117 HydrophobicContact CG2-CD2 4.23Å; I89-L117 HydrophobicContact CG2-CG 3.96Å; I89-T121 HydrophobicContact CB-CG2 4.26Å; I89-T121 HydrophobicContact CD1-CG2 4.18Å; I89-T121 WeakPolarHBondContact CD1-OG1 3.3Å; I89-T121 HydrophobicContact CG2-CG2 4.41Å
90F95.8Very high89.8Confident0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-61.3-42.6174.5-59.9-41000112.1I56 Y82 G86 A87 T93 G94 S118 T121 A122 E170I56-F90 HydrophobicContact CD1-CD2 3.57Å; I56-F90 HydrophobicContact CD1-CE2 3.65Å; Y82-F90 WeakPolarHBondContact OH-CE2 3.37Å; Y82-F90 WeakPolarHBondContact OH-CZ 3.35Å; G86-F90 VanDerWaalsContact O-CD2 3.27Å; G86-F90 WeakPolarHBondContact O-CD2 3.28Å; G86-F90 WeakPolarHBondContact O-CG 3.39Å; G86-F90 PolarHBondContact O-N 2.7Å; A87-F90 PolarHBondContact O-N 3.31Å; F90-T93 PolarHBondContact O-N 3.5Å; F90-G94 PolarHBondContact O-N 3.09Å; F90-S118 VanDerWaalsContact CD1-OG 3.29Å; F90-S118 WeakPolarHBondContact CD1-OG 3.42Å; F90-T121 HydrophobicContact CE1-CG2 4.04Å; F90-T121 HydrophobicContact CE2-CG2 4.41Å; F90-T121 HydrophobicContact CZ-CG2 3.86Å; F90-A122 HydrophobicContact CE1-CB 4.08Å; F90-A122 HydrophobicContact CZ-CB 3.96Å; F90-E170 HydrophobicContact CD1-CB 4.24Å; F90-E170 HydrophobicContact CD1-CG 4.28Å; F90-E170 HydrophobicContact CD2-CG 4.14Å; F90-E170 HydrophobicContact CE1-CB 3.93Å; F90-E170 HydrophobicContact CE1-CG 4.37Å; F90-E170 HydrophobicContact CE2-CB 4.38Å; F90-E170 HydrophobicContact CE2-CG 4.23Å; F90-E170 HydrophobicContact CG-CG 4.19Å; F90-E170 HydrophobicContact CZ-CB 4.01Å; F90-E170 HydrophobicContact CZ-CG 4.34Å
91L95.1Very high88.3Confident56 Ų5646.1 Ų46.129%0.29324%0.241SC..Hα-helixtrans-61-49.7176.7-17366.3000111.9I50 S53 A87 V88 I89 T93 G94 L95I50-L91 HydrophobicContact CB-CD1 4.41Å; I50-L91 HydrophobicContact CG1-CD1 4.22Å; I50-L91 HydrophobicContact CG2-CD1 3.96Å; S53-L91 WeakPolarHBondContact OG-CB 3.48Å; A87-L91 WeakPolarHBondContact O-CB 3.17Å; A87-L91 PolarHBondContact O-N 3.22Å; V88-L91 PolarHBondContact O-N 3.37Å; I89-L91 PolarHBondContact O-N 3.36Å; L91-T93 VanDerWaalsContact C-N 3.29Å; L91-T93 PolarHBondContact O-N 3.46Å; L91-G94 PolarHBondContact O-N 3.04Å; L91-L95 HydrophobicContact CG-CD1 4.19Å; L91-L95 WeakPolarHBondContact O-CB 3.19Å; L91-L95 VanDerWaalsContact O-CG 3.25Å; L91-L95 WeakPolarHBondContact O-CG 3.26Å; L91-L95 PolarHBondContact O-N 2.88Å
92L92.9Very high86.8Confident89 Ų8953.3 Ų53.347%0.46627%0.267SS..Hα-helixtrans-62.3-38.6177.2-71.6170.9000111.5V88 I89 V96V88-L92 HydrophobicContact CG1-CD1 3.95Å; V88-L92 HydrophobicContact CG1-CG 4.46Å; V88-L92 WeakPolarHBondContact O-CB 3.4Å; V88-L92 VanDerWaalsContact O-CG 3.26Å; V88-L92 WeakPolarHBondContact O-CG 3.49Å; V88-L92 PolarHBondContact O-N 3.43Å; I89-L92 PolarHBondContact O-N 3.19Å; L92-V96 WeakPolarHBondContact O-CB 3.4Å; L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 3.35Å
93T92.8Very high84.8Confident0 Ų058.8 Ų58.80%030%0.303CS..Hα-helixtrans-64.4-50.4176.4-58.70000110.9I89 F90 L91 L95 V96 T97 M114 N115I89-T93 VanDerWaalsContact O-CB 3.31Å; I89-T93 WeakPolarHBondContact O-CB 3.4Å; I89-T93 PolarHBondContact O-N 3.26Å; I89-T93 PolarHBondContact O-OG1 3.22Å; F90-T93 PolarHBondContact O-N 3.5Å; L91-T93 VanDerWaalsContact C-N 3.29Å; L91-T93 PolarHBondContact O-N 3.46Å; T93-L95 PolarHBondContact O-N 3.49Å; T93-V96 CarbonylContact O-C 3.08Å; T93-V96 PolarHBondContact O-N 3.07Å; T93-V96 VanDerWaalsContact O-N 3.14Å; T93-T97 WeakPolarHBondContact O-CB 3.27Å; T93-T97 PolarHBondContact O-N 3.37Å; T93-T97 PolarHBondContact O-OG1 3.24Å; T93-M114 HydrophobicContact CG2-CB 4.27Å; T93-M114 PolarHBondContact OG1-O 3.05Å; T93-N115 HydrophobicContact CG2-CB 4.3Å; T93-N115 VanDerWaalsContact CG2-CG 3.44Å; T93-N115 VanDerWaalsContact CG2-OD1 3.26Å; T93-N115 WeakPolarHBondContact CG2-OD1 3.28Å
94G91.8Very high83.2Confident0 Ų067.6 Ų67.60%034%0.336CS..Hα-helixtrans-60.7-41.1178.300000113.6G46 F90 L91 V96 T97 M98G46-G94 WeakPolarHBondContact O-CA 3.28Å; F90-G94 PolarHBondContact O-N 3.09Å; L91-G94 PolarHBondContact O-N 3.04Å; G94-V96 VanDerWaalsContact C-N 3.34Å; G94-V96 PolarHBondContact O-N 3.11Å; G94-T97 PolarHBondContact O-N 3.03Å; G94-M98 WeakPolarHBondContact O-CB 3.5Å; G94-M98 PolarHBondContact O-N 2.88Å
95L90.4Very high81.5Confident75 Ų7574.9 Ų74.939%0.39336%0.361SS..Hα-helixtrans-61.7-40173.8-72168.6000112.4I50 L91 T93 M98 S99I50-L95 HydrophobicContact CD1-CD2 3.88Å; I50-L95 HydrophobicContact CD1-CG 4.12Å; I50-L95 HydrophobicContact CG1-CG 4.43Å; L91-L95 HydrophobicContact CG-CD1 4.19Å; L91-L95 WeakPolarHBondContact O-CB 3.19Å; L91-L95 VanDerWaalsContact O-CG 3.25Å; L91-L95 WeakPolarHBondContact O-CG 3.26Å; L91-L95 PolarHBondContact O-N 2.88Å; T93-L95 PolarHBondContact O-N 3.49Å; L95-M98 HydrophobicContact CD2-CE 4.24Å; L95-S99 PolarHBondContact O-N 3.25Å; L95-S99 PolarHBondContact O-OG 3.2Å
96V87.3Confident79.9Confident32 Ų3276.4 Ų76.419%0.19438%0.376CS..Hα-helixtrans-71.9-39.8176.4166.70000111.4L92 T93 G94 M98 S99 L107 V111 M114L92-V96 WeakPolarHBondContact O-CB 3.4Å; L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 3.35Å; T93-V96 CarbonylContact O-C 3.08Å; T93-V96 PolarHBondContact O-N 3.07Å; T93-V96 VanDerWaalsContact O-N 3.14Å; G94-V96 VanDerWaalsContact C-N 3.34Å; G94-V96 PolarHBondContact O-N 3.11Å; V96-M98 VanDerWaalsContact C-N 3.34Å; V96-M98 PolarHBondContact O-N 2.7Å; V96-S99 WeakPolarHBondContact O-CB 3.46Å; V96-S99 PolarHBondContact O-N 3.21Å; V96-L107 HydrophobicContact CG1-CD1 4.32Å; V96-V111 HydrophobicContact CG1-CB 4.18Å; V96-V111 HydrophobicContact CG1-CG2 3.58Å; V96-M114 HydrophobicContact CG1-CG 4.33Å
97T85.8Confident78.4Confident7 Ų779 Ų794%0.04339%0.39CS..Hα-helixtrans-63.5-37.5175-57.90000111.7P42 Q49 T93 G94 S99 N115 V177P42-T97 HydrophobicContact CB-CG2 4.18Å; P42-T97 WeakPolarHBondContact O-CG2 3.43Å; Q49-T97 PolarHBondContact OE1-OG1 3.21Å; T93-T97 WeakPolarHBondContact O-CB 3.27Å; T93-T97 PolarHBondContact O-N 3.37Å; T93-T97 PolarHBondContact O-OG1 3.24Å; G94-T97 PolarHBondContact O-N 3.03Å; T97-S99 VanDerWaalsContact C-N 3.31Å; T97-S99 PolarHBondContact O-N 2.91Å; T97-N115 PolarHBondContact OG1-ND2 2.93Å; T97-V177 HydrophobicContact CG2-CG1 4.33Å; T97-V177 HydrophobicContact CG2-CG2 4.31Å
98M81.6Confident77Confident80 Ų8083 Ų8339%0.39441%0.407SS..Hα-helixtrans-70.3-22.2176.2-175.3179.268.300113.9K43 G94 L95 V96 H100K43-M98 HydrophobicContact CB-CG 4.31Å; K43-M98 HydrophobicContact CG-CG 4.44Å; G94-M98 WeakPolarHBondContact O-CB 3.5Å; G94-M98 PolarHBondContact O-N 2.88Å; L95-M98 HydrophobicContact CD2-CE 4.24Å; V96-M98 VanDerWaalsContact C-N 3.34Å; V96-M98 PolarHBondContact O-N 2.7Å; M98-H100 VanDerWaalsContact C-N 3.32Å; M98-H100 PolarHBondContact O-N 3.03Å
99S74.2Confident75.8Confident61 Ų6186.1 Ų86.143%0.42742%0.416SS..  trans-76.869.9-171.7-67.40000113.4L95 V96 T97 L107L95-S99 PolarHBondContact O-N 3.25Å; L95-S99 PolarHBondContact O-OG 3.2Å; V96-S99 WeakPolarHBondContact O-CB 3.46Å; V96-S99 PolarHBondContact O-N 3.21Å; T97-S99 VanDerWaalsContact C-N 3.31Å; T97-S99 PolarHBondContact O-N 2.91Å; S99-L107 VanDerWaalsContact O-CD2 3.3Å; S99-L107 WeakPolarHBondContact O-CD2 3.3Å
100H59.3Low75.1Confident116 Ų11685.8 Ų85.854%0.53742%0.421SS..  trans-85.2-29.1-171.8-165.5-106.2000115.3M98 K102M98-H100 VanDerWaalsContact C-N 3.32Å; M98-H100 PolarHBondContact O-N 3.03Å; H100-K102 PolarHBondContact O-N 3.46Å; H100-K102 VanDerWaalsContact O-N 3.13Å
101D58.6Low74.5Confident133 Ų13386.3 Ų86.371%0.71142%0.424SS*.SBendtrans-79.5-2.7-150.1-62.7-23.2000117.5
102K59.3Low74Confident171 Ų17186.1 Ų86.174%0.74343%0.425SS*.SBendtrans-142.2119.4172.7-67.2-170.6179.9178.60112.8H100 R104H100-K102 PolarHBondContact O-N 3.46Å; H100-K102 VanDerWaalsContact O-N 3.13Å; K102-R104 VanDerWaalsContact C-N 3.28Å; K102-R104 PolarHBondContact O-N 2.93Å
103P52.2Low73.7Confident116 Ų11685.9 Ų85.975%0.75343%0.427SS*.  trans-79.462.8-174.133.7-37.7000113.6R105P103-R105 PolarHBondContact O-N 3.36Å
104R60.3Low73.5Confident185 Ų18589 Ų8970%0.69844%0.442SS*.  trans-65.9125162.5-73.6-172.4172.3-166.2-2.3108.5K102 I106 L107 K108K102-R104 VanDerWaalsContact C-N 3.28Å; K102-R104 PolarHBondContact O-N 2.93Å; R104-I106 PolarHBondContact O-N 2.85Å; R104-I106 VanDerWaalsContact O-N 3.12Å; R104-L107 HydrophobicContact CB-CB 4.48Å; R104-L107 WeakPolarHBondContact O-CB 3.34Å; R104-L107 PolarHBondContact O-N 3.04Å; R104-K108 PolarHBondContact O-N 3.45Å
105R58.1Low73.4Confident230 Ų23089 Ų8987%0.86844%0.442SS*.Hα-helixtrans-51.6-38.3179.3-67.3-175.4-177.6177.51.1112.5P103 L107 K108 Q109P103-R105 PolarHBondContact O-N 3.36Å; R105-L107 VanDerWaalsContact C-N 3.31Å; R105-L107 PolarHBondContact O-N 3.05Å; R105-K108 WeakPolarHBondContact O-CB 3.26Å; R105-K108 PolarHBondContact O-N 3.32Å; R105-Q109 PolarHBondContact O-N 2.87Å
106I60.9Low73.5Confident141 Ų14187.3 Ų87.372%0.72344%0.435SS*.Hα-helixtrans-51.2-47.2174.4-59165.8000111.8R104 K108 Q109 G110R104-I106 PolarHBondContact O-N 2.85Å; R104-I106 VanDerWaalsContact O-N 3.12Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 3.44Å; I106-Q109 PolarHBondContact O-N 3.38Å; I106-G110 PolarHBondContact O-N 3.37Å
107L63.9Low73.8Confident56 Ų5689.5 Ų89.529%0.29345%0.446SS..Hα-helixtrans-69-28.6-179.2-170.959.5000111.8V96 S99 R104 R105 Q109 G110 V111V96-L107 HydrophobicContact CG1-CD1 4.32Å; S99-L107 VanDerWaalsContact O-CD2 3.3Å; S99-L107 WeakPolarHBondContact O-CD2 3.3Å; R104-L107 HydrophobicContact CB-CB 4.48Å; R104-L107 WeakPolarHBondContact O-CB 3.34Å; R104-L107 PolarHBondContact O-N 3.04Å; R105-L107 VanDerWaalsContact C-N 3.31Å; R105-L107 PolarHBondContact O-N 3.05Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 2.84Å; L107-G110 PolarHBondContact O-N 3.35Å; L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 3.28Å
108K65Low74.3Confident84 Ų8489.2 Ų89.237%0.36544%0.443SS..Hα-helixtrans-65.2-36.9176.5-76.5-159.7173.2-1680112.9R104 R105 I106 T112 R181R104-K108 PolarHBondContact O-N 3.45Å; R105-K108 WeakPolarHBondContact O-CB 3.26Å; R105-K108 PolarHBondContact O-N 3.32Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 3.44Å; K108-T112 PolarHBondContact O-OG1 3.47Å; K108-R181 VanDerWaalsContact CA-NH2 3.35Å; K108-R181 PolarHBondContact O-NE 3.09Å; K108-R181 PolarHBondContact O-NH2 3.18Å
109Q71.7Confident74.9Confident146 Ų14686.3 Ų86.368%0.68243%0.431SS*.Hα-helixtrans-77.4-42174.9-168168.6-0.700111.2R105 I106 L107 V111 T112 T113R105-Q109 PolarHBondContact O-N 2.87Å; I106-Q109 PolarHBondContact O-N 3.38Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 2.84Å; Q109-V111 PolarHBondContact O-N 2.85Å; Q109-T112 WeakPolarHBondContact O-CB 3.39Å; Q109-T112 PolarHBondContact O-N 2.98Å; Q109-T113 PolarHBondContact O-N 2.92Å; Q109-T113 PolarHBondContact O-OG1 3.45Å
110G79.8Confident75.9Confident24 Ų2488.3 Ų88.325%0.24744%0.437CS..Hα-helixtrans-52.6-46.3179.200000114.3I106 L107 T112 T113 M114I106-G110 PolarHBondContact O-N 3.37Å; L107-G110 PolarHBondContact O-N 3.35Å; G110-T112 VanDerWaalsContact C-N 3.31Å; G110-T112 PolarHBondContact O-N 3.32Å; G110-T113 PolarHBondContact O-N 2.7Å; G110-M114 WeakPolarHBondContact O-CB 3.26Å; G110-M114 VanDerWaalsContact O-CG 3.26Å; G110-M114 WeakPolarHBondContact O-CG 3.46Å; G110-M114 PolarHBondContact O-N 2.96Å
111V83.6Confident77.6Confident11 Ų1183 Ų837%0.06741%0.413CS..Hα-helixtrans-60-39.5177.6177.80000112.1V96 L107 Q109 N115 V177V96-V111 HydrophobicContact CG1-CB 4.18Å; V96-V111 HydrophobicContact CG1-CG2 3.58Å; L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 3.28Å; Q109-V111 PolarHBondContact O-N 2.85Å; V111-N115 PolarHBondContact O-N 3.03Å; V111-N115 VanDerWaalsContact O-N 3.12Å; V111-N115 PolarHBondContact O-ND2 3.48Å; V111-V177 HydrophobicContact CG1-CG1 4.28Å
112T84.3Confident79.4Confident52 Ų5276.7 Ų76.732%0.31938%0.379SS..Hα-helixtrans-66.9-49.6178.2-42.30000110.4K108 Q109 G110 M114 N115 V116 R181K108-T112 PolarHBondContact O-OG1 3.47Å; Q109-T112 WeakPolarHBondContact O-CB 3.39Å; Q109-T112 PolarHBondContact O-N 2.98Å; G110-T112 VanDerWaalsContact C-N 3.31Å; G110-T112 PolarHBondContact O-N 3.32Å; T112-M114 PolarHBondContact O-N 3.08Å; T112-N115 PolarHBondContact O-N 3.4Å; T112-V116 WeakPolarHBondContact O-CG2 3.27Å; T112-V116 PolarHBondContact O-N 3.43Å; T112-R181 WeakPolarHBondContact OG1-CD 3.26Å; T112-R181 PolarHBondContact OG1-NE 3.34Å
113T87.6Confident81.2Confident83 Ų8372.6 Ų72.651%0.50936%0.364SS..Hα-helixtrans-62.7-40.9-179.3-56.30000112.1Q109 G110 V116 L117Q109-T113 PolarHBondContact O-N 2.92Å; Q109-T113 PolarHBondContact O-OG1 3.45Å; G110-T113 PolarHBondContact O-N 2.7Å; T113-V116 PolarHBondContact O-N 3.11Å; T113-L117 PolarHBondContact O-N 3.4Å
114M87.5Confident83.2Confident66 Ų6668.8 Ų68.833%0.32534%0.343SS..Hα-helixtrans-66.6-42.4177.3-68.9-62.2178.400112T93 V96 G110 T112 V116 L117 S118T93-M114 HydrophobicContact CG2-CB 4.27Å; T93-M114 PolarHBondContact OG1-O 3.05Å; V96-M114 HydrophobicContact CG1-CG 4.33Å; G110-M114 WeakPolarHBondContact O-CB 3.26Å; G110-M114 VanDerWaalsContact O-CG 3.26Å; G110-M114 WeakPolarHBondContact O-CG 3.46Å; G110-M114 PolarHBondContact O-N 2.96Å; T112-M114 PolarHBondContact O-N 3.08Å; M114-V116 VanDerWaalsContact C-N 3.3Å; M114-V116 PolarHBondContact O-N 3.01Å; M114-L117 PolarHBondContact O-N 2.91Å; M114-S118 VanDerWaalsContact O-CB 3.28Å; M114-S118 WeakPolarHBondContact O-CB 3.4Å; M114-S118 PolarHBondContact O-N 3.41Å
115N90.9Very high84.9Confident0 Ų060 Ų600%031%0.31CS..Hα-helixtrans-70.9-23.9177.3-75.1-88.6000113.1Q49 T93 T97 V111 T112 S118 S119 V177 V178Q49-N115 PolarHBondContact NE2-OD1 2.9Å; Q49-N115 VanDerWaalsContact NE2-OD1 3.13Å; T93-N115 HydrophobicContact CG2-CB 4.3Å; T93-N115 VanDerWaalsContact CG2-CG 3.44Å; T93-N115 VanDerWaalsContact CG2-OD1 3.26Å; T93-N115 WeakPolarHBondContact CG2-OD1 3.28Å; T97-N115 PolarHBondContact OG1-ND2 2.93Å; V111-N115 PolarHBondContact O-N 3.03Å; V111-N115 VanDerWaalsContact O-N 3.12Å; V111-N115 PolarHBondContact O-ND2 3.48Å; T112-N115 PolarHBondContact O-N 3.4Å; N115-S118 WeakPolarHBondContact O-CB 3.36Å; N115-S119 PolarHBondContact O-N 3.26Å; N115-S119 PolarHBondContact O-OG 3.21Å; N115-V177 HydrophobicContact CB-CB 4.5Å; N115-V177 HydrophobicContact CB-CG1 4.34Å; N115-V178 HydrophobicContact CB-CG2 3.69Å
116V92.2Very high86.7Confident39 Ų3950.3 Ų50.324%0.23628%0.275CS..Hα-helixtrans-72.7-41.5167.7171.90000111.6T112 T113 M114 S118 S119 L120 V178T112-V116 WeakPolarHBondContact O-CG2 3.27Å; T112-V116 PolarHBondContact O-N 3.43Å; T113-V116 PolarHBondContact O-N 3.11Å; M114-V116 VanDerWaalsContact C-N 3.3Å; M114-V116 PolarHBondContact O-N 3.01Å; V116-S118 VanDerWaalsContact C-N 3.26Å; V116-S118 PolarHBondContact O-N 2.89Å; V116-S119 PolarHBondContact O-N 3.08Å; V116-S119 PolarHBondContact O-OG 3.12Å; V116-L120 HydrophobicContact CG1-CD1 4.37Å; V116-L120 WeakPolarHBondContact O-CG 3.46Å; V116-L120 PolarHBondContact O-N 3.03Å; V116-L120 VanDerWaalsContact O-N 3.08Å; V116-V178 HydrophobicContact CG2-CG2 4.06Å
117L93.6Very high88.2Confident79 Ų7946 Ų4641%0.41426%0.26SS..Hα-helixtrans-63.1-36.8173.2-177.762.1000111.4I89 T113 M114 T121I89-L117 HydrophobicContact CD1-CG 4.45Å; I89-L117 HydrophobicContact CG2-CD2 4.23Å; I89-L117 HydrophobicContact CG2-CG 3.96Å; T113-L117 PolarHBondContact O-N 3.4Å; M114-L117 PolarHBondContact O-N 2.91Å; L117-T121 VanDerWaalsContact O-CB 3.29Å; L117-T121 WeakPolarHBondContact O-CB 3.42Å; L117-T121 PolarHBondContact O-N 3.37Å; L117-T121 PolarHBondContact O-OG1 2.83Å
118S95Very high89.6Confident0 Ų044.7 Ų44.70%025%0.253CS..Hα-helixtrans-62.7-48173.6-171.90000112.1F90 M114 N115 V116 L120 T121 A122 S174F90-S118 VanDerWaalsContact CD1-OG 3.29Å; F90-S118 WeakPolarHBondContact CD1-OG 3.42Å; M114-S118 VanDerWaalsContact O-CB 3.28Å; M114-S118 WeakPolarHBondContact O-CB 3.4Å; M114-S118 PolarHBondContact O-N 3.41Å; N115-S118 WeakPolarHBondContact O-CB 3.36Å; V116-S118 VanDerWaalsContact C-N 3.26Å; V116-S118 PolarHBondContact O-N 2.89Å; S118-L120 PolarHBondContact O-N 3.02Å; S118-T121 WeakPolarHBondContact O-CB 3.44Å; S118-T121 PolarHBondContact O-N 3.41Å; S118-T121 VanDerWaalsContact O-N 3.16Å; S118-A122 PolarHBondContact O-N 3.41Å; S118-S174 WeakPolarHBondContact CB-OG 3.47Å; S118-S174 PolarHBondContact OG-OG 3.06Å
119S95.1Very high90.9Very high19 Ų1940.7 Ų40.713%0.13324%0.236CC..Hα-helixtrans-65.1-38.5177.763.40000112.7N115 V116 T121 A122 L123N115-S119 PolarHBondContact O-N 3.26Å; N115-S119 PolarHBondContact O-OG 3.21Å; V116-S119 PolarHBondContact O-N 3.08Å; V116-S119 PolarHBondContact O-OG 3.12Å; S119-T121 VanDerWaalsContact C-N 3.34Å; S119-A122 PolarHBondContact O-N 3.09Å; S119-L123 WeakPolarHBondContact O-CG 3.26Å; S119-L123 PolarHBondContact O-N 2.77Å
120L95.5Very high91.8Very high104 Ų10437.9 Ų37.955%0.54523%0.225SC..Hα-helixtrans-62.8-39.9171.7-68.1172.1000112.2V116 S118 L123 A124V116-L120 HydrophobicContact CG1-CD1 4.37Å; V116-L120 WeakPolarHBondContact O-CG 3.46Å; V116-L120 PolarHBondContact O-N 3.03Å; V116-L120 VanDerWaalsContact O-N 3.08Å; S118-L120 PolarHBondContact O-N 3.02Å; L120-L123 PolarHBondContact O-N 3.12Å; L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 2.79Å
121T95.3Very high92.3Very high5 Ų540.9 Ų40.93%0.03124%0.235CC..Hα-helixtrans-66.2-38.2176.2-62.80000112.1Y82 W85 G86 I89 F90 L117 S118 S119 G125Y82-T121 HydrophobicContact CE2-CG2 4.17Å; Y82-T121 WeakPolarHBondContact CE2-O 3.27Å; Y82-T121 PolarHBondContact OH-O 3.27Å; W85-T121 HydrophobicContact CE3-CG2 4.38Å; W85-T121 HydrophobicContact CH2-CG2 4.39Å; W85-T121 HydrophobicContact CZ3-CG2 3.75Å; G86-T121 VanDerWaalsContact CA-CG2 3.5Å; I89-T121 HydrophobicContact CB-CG2 4.26Å; I89-T121 HydrophobicContact CD1-CG2 4.18Å; I89-T121 WeakPolarHBondContact CD1-OG1 3.3Å; I89-T121 HydrophobicContact CG2-CG2 4.41Å; F90-T121 HydrophobicContact CE1-CG2 4.04Å; F90-T121 HydrophobicContact CE2-CG2 4.41Å; F90-T121 HydrophobicContact CZ-CG2 3.86Å; L117-T121 VanDerWaalsContact O-CB 3.29Å; L117-T121 WeakPolarHBondContact O-CB 3.42Å; L117-T121 PolarHBondContact O-N 3.37Å; L117-T121 PolarHBondContact O-OG1 2.83Å; S118-T121 WeakPolarHBondContact O-CB 3.44Å; S118-T121 PolarHBondContact O-N 3.41Å; S118-T121 VanDerWaalsContact O-N 3.16Å; S119-T121 VanDerWaalsContact C-N 3.34Å; T121-G125 PolarHBondContact O-N 3.31Å
122A96.5Very high92.5Very high0 Ų040.4 Ų40.40%023%0.232CC..Hα-helixtrans-69.2-41.917500000111.8F90 S118 S119 G125 I126 L171F90-A122 HydrophobicContact CE1-CB 4.08Å; F90-A122 HydrophobicContact CZ-CB 3.96Å; S118-A122 PolarHBondContact O-N 3.41Å; S119-A122 PolarHBondContact O-N 3.09Å; A122-G125 PolarHBondContact O-N 3.06Å; A122-I126 VanDerWaalsContact O-CG1 3.28Å; A122-I126 WeakPolarHBondContact O-CG1 3.44Å; A122-I126 PolarHBondContact O-N 3.12Å; A122-L171 HydrophobicContact CB-CB 3.75Å; A122-L171 HydrophobicContact CB-CD1 4.25Å
123L96.1Very high92.7Very high84 Ų8440.4 Ų40.444%0.4423%0.228SC..Hα-helixtrans-61.1-44.1174.1-72.1167.7000112.2S119 L120 G125 I126 A127 L171S119-L123 WeakPolarHBondContact O-CG 3.26Å; S119-L123 PolarHBondContact O-N 2.77Å; L120-L123 PolarHBondContact O-N 3.12Å; L123-G125 VanDerWaalsContact C-N 3.33Å; L123-G125 PolarHBondContact O-N 3.49Å; L123-I126 PolarHBondContact O-N 3.11Å; L123-A127 WeakPolarHBondContact O-CB 3.47Å; L123-A127 PolarHBondContact O-N 2.63Å; L123-L171 HydrophobicContact CD2-CD1 4.46Å; L123-L171 HydrophobicContact CD2-CD2 3.8Å; L123-L171 HydrophobicContact CG-CD1 4.12Å; L123-L171 HydrophobicContact CG-CD2 4.29Å
124A95.1Very high92.5Very high37 Ų3741.2 Ų41.231%0.30623%0.233SC..Hα-helixtrans-61.9-40.5173.500000111.9W85 L120 A127 L128W85-A124 HydrophobicContact CH2-CB 4.41Å; L120-A124 WeakPolarHBondContact O-CB 3.36Å; L120-A124 PolarHBondContact O-N 2.79Å; A124-A127 PolarHBondContact O-N 3.07Å; A124-L128 WeakPolarHBondContact O-CB 3.26Å; A124-L128 VanDerWaalsContact O-CG 3.27Å; A124-L128 WeakPolarHBondContact O-CG 3.43Å; A124-L128 PolarHBondContact O-N 2.89Å
125G95.1Very high91.9Very high0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-61.8-46.517500000114T121 A122 L123 L128 T129T121-G125 PolarHBondContact O-N 3.31Å; A122-G125 PolarHBondContact O-N 3.06Å; L123-G125 VanDerWaalsContact C-N 3.33Å; L123-G125 PolarHBondContact O-N 3.49Å; G125-L128 PolarHBondContact O-N 2.94Å; G125-T129 VanDerWaalsContact O-CB 3.3Å; G125-T129 WeakPolarHBondContact O-CB 3.33Å; G125-T129 PolarHBondContact O-N 3.2Å; G125-T129 PolarHBondContact O-OG1 3Å
126I95.1Very high90.8Very high27 Ų2743.4 Ų43.414%0.13824%0.242CC..Hα-helixtrans-59.5-48.7175.6-70161.6000109.5A122 L123 L128 T129 L130 L164 I168 L171A122-I126 VanDerWaalsContact O-CG1 3.28Å; A122-I126 WeakPolarHBondContact O-CG1 3.44Å; A122-I126 PolarHBondContact O-N 3.12Å; L123-I126 PolarHBondContact O-N 3.11Å; I126-L128 PolarHBondContact O-N 3.17Å; I126-T129 PolarHBondContact O-N 2.88Å; I126-L130 HydrophobicContact CG2-CD1 3.79Å; I126-L130 HydrophobicContact CG2-CG 4.39Å; I126-L130 WeakPolarHBondContact O-CB 3.24Å; I126-L130 VanDerWaalsContact O-CG 3.28Å; I126-L130 WeakPolarHBondContact O-CG 3.45Å; I126-L130 PolarHBondContact O-N 3.46Å; I126-L164 HydrophobicContact CB-CD1 4.41Å; I126-L164 HydrophobicContact CG1-CD1 4.25Å; I126-L164 HydrophobicContact CG2-CD1 4.05Å; I126-I168 HydrophobicContact CD1-CG1 3.88Å; I126-I168 HydrophobicContact CG1-CG1 4.15Å; I126-L171 HydrophobicContact CD1-CB 4.45Å; I126-L171 HydrophobicContact CD1-CD2 3.82Å
127A94.2Very high89.3Confident49 Ų4949.6 Ų49.641%0.40527%0.268SS..Hα-helixtrans-59.4-47.8177.500000112.7L123 A124 T129 L130 L131L123-A127 WeakPolarHBondContact O-CB 3.47Å; L123-A127 PolarHBondContact O-N 2.63Å; A124-A127 PolarHBondContact O-N 3.07Å; A127-T129 VanDerWaalsContact C-N 3.31Å; A127-T129 PolarHBondContact O-N 3.09Å; A127-L130 PolarHBondContact O-N 3.05Å; A127-L131 WeakPolarHBondContact O-CB 3.25Å; A127-L131 VanDerWaalsContact O-CG 3.26Å; A127-L131 WeakPolarHBondContact O-CG 3.46Å; A127-L131 PolarHBondContact O-N 3.14Å
128L92.8Very high87.7Confident30 Ų3055.2 Ų55.216%0.15728%0.284CS..Hα-helixtrans-64.3-34.3177.9-71.9169.6000112.9L76 V77 T80 Y82 A124 G125 I126 S132L76-L128 HydrophobicContact CD2-CD2 3.89Å; L76-L128 HydrophobicContact CG-CD2 4.2Å; V77-L128 HydrophobicContact CG2-CB 4.18Å; T80-L128 HydrophobicContact CG2-CD1 4.45Å; T80-L128 HydrophobicContact CG2-CD2 3.9Å; Y82-L128 HydrophobicContact CD2-CD1 4.36Å; Y82-L128 HydrophobicContact CG-CD1 4.35Å; A124-L128 WeakPolarHBondContact O-CB 3.26Å; A124-L128 VanDerWaalsContact O-CG 3.27Å; A124-L128 WeakPolarHBondContact O-CG 3.43Å; A124-L128 PolarHBondContact O-N 2.89Å; G125-L128 PolarHBondContact O-N 2.94Å; I126-L128 PolarHBondContact O-N 3.17Å; L128-S132 WeakPolarHBondContact O-CB 3.28Å; L128-S132 PolarHBondContact O-N 3.36Å; L128-S132 PolarHBondContact O-OG 3.4Å
129T91.6Very high86.2Confident0 Ų059.2 Ų59.20%031%0.308CS..Hα-helixtrans-72.6-43.7178.1-54.10000110.9G125 I126 A127 S132 F133 L160 L164G125-T129 VanDerWaalsContact O-CB 3.3Å; G125-T129 WeakPolarHBondContact O-CB 3.33Å; G125-T129 PolarHBondContact O-N 3.2Å; G125-T129 PolarHBondContact O-OG1 3Å; I126-T129 PolarHBondContact O-N 2.88Å; A127-T129 VanDerWaalsContact C-N 3.31Å; A127-T129 PolarHBondContact O-N 3.09Å; T129-S132 WeakPolarHBondContact O-CB 3.4Å; T129-S132 PolarHBondContact O-N 3.41Å; T129-S132 VanDerWaalsContact O-N 3.11Å; T129-F133 HydrophobicContact CG2-CD2 4.26Å; T129-F133 HydrophobicContact CG2-CE2 3.93Å; T129-F133 VanDerWaalsContact O-CD2 3.26Å; T129-F133 WeakPolarHBondContact O-CD2 3.47Å; T129-F133 PolarHBondContact O-N 3.49Å; T129-L160 HydrophobicContact CG2-CB 4.31Å; T129-L160 HydrophobicContact CG2-CD2 4.4Å; T129-L164 HydrophobicContact CG2-CB 3.97Å; T129-L164 HydrophobicContact CG2-CD1 4.47Å
130L91.8Very high84.7Confident87 Ų8760.3 Ų60.346%0.45532%0.315SS..Hα-helixtrans-62.6-41173.1-68.3172.1000112.2I126 A127 S132 F133 T134 L164I126-L130 HydrophobicContact CG2-CD1 3.79Å; I126-L130 HydrophobicContact CG2-CG 4.39Å; I126-L130 WeakPolarHBondContact O-CB 3.24Å; I126-L130 VanDerWaalsContact O-CG 3.28Å; I126-L130 WeakPolarHBondContact O-CG 3.45Å; I126-L130 PolarHBondContact O-N 3.46Å; A127-L130 PolarHBondContact O-N 3.05Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.01Å; L130-F133 WeakPolarHBondContact O-CB 3.29Å; L130-F133 PolarHBondContact O-N 2.87Å; L130-T134 PolarHBondContact O-N 3.45Å; L130-T134 VanDerWaalsContact O-N 3.08Å; L130-L164 HydrophobicContact CD2-CD1 4.45Å; L130-L164 HydrophobicContact CD2-CD2 4.09Å; L130-L164 HydrophobicContact CG-CD1 4.42Å
131L89.8Confident82.9Confident86 Ų8662.8 Ų62.845%0.4532%0.324SS..Hα-helixtrans-64.7-29.3172.4-72.1169.2000112.9L76 A127 T134 Q135L76-L131 HydrophobicContact CD2-CB 3.83Å; L76-L131 HydrophobicContact CD2-CD1 4.13Å; A127-L131 WeakPolarHBondContact O-CB 3.25Å; A127-L131 VanDerWaalsContact O-CG 3.26Å; A127-L131 WeakPolarHBondContact O-CG 3.46Å; A127-L131 PolarHBondContact O-N 3.14Å; L131-T134 PolarHBondContact O-OG1 2.77Å; L131-T134 VanDerWaalsContact O-OG1 3.12Å; L131-Q135 VanDerWaalsContact O-CG 3.28Å; L131-Q135 WeakPolarHBondContact O-CG 3.31Å; L131-Q135 PolarHBondContact O-N 3.02Å
132S88.1Confident81Confident1 Ų167.8 Ų67.81%0.00735%0.354CS..Hα-helixtrans-73.7-34173.9-59.40000112V77 L128 T129 L130 Q136V77-S132 WeakPolarHBondContact CG2-OG 3.31Å; V77-S132 PolarHBondContact N-OG 2.83Å; L128-S132 WeakPolarHBondContact O-CB 3.28Å; L128-S132 PolarHBondContact O-N 3.36Å; L128-S132 PolarHBondContact O-OG 3.4Å; T129-S132 WeakPolarHBondContact O-CB 3.4Å; T129-S132 PolarHBondContact O-N 3.41Å; T129-S132 VanDerWaalsContact O-N 3.11Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.01Å; S132-Q136 WeakPolarHBondContact O-CG 3.38Å; S132-Q136 PolarHBondContact O-N 2.97Å
133F87Confident78.8Confident52 Ų5274.3 Ų74.323%0.22840%0.397CS..Hα-helixtrans-64.6-44.7171.7-80.1-66.3000112.2T129 L130 Q135 Q136 L157 L160 L164T129-F133 HydrophobicContact CG2-CD2 4.26Å; T129-F133 HydrophobicContact CG2-CE2 3.93Å; T129-F133 VanDerWaalsContact O-CD2 3.26Å; T129-F133 WeakPolarHBondContact O-CD2 3.47Å; T129-F133 PolarHBondContact O-N 3.49Å; L130-F133 WeakPolarHBondContact O-CB 3.29Å; L130-F133 PolarHBondContact O-N 2.87Å; F133-Q135 VanDerWaalsContact C-N 3.32Å; F133-Q135 PolarHBondContact O-N 3Å; F133-Q136 PolarHBondContact O-N 3.47Å; F133-L157 HydrophobicContact CD1-CD2 3.62Å; F133-L157 HydrophobicContact CE1-CD2 3.71Å; F133-L160 HydrophobicContact CD1-CD1 4.42Å; F133-L160 HydrophobicContact CE1-CB 3.88Å; F133-L160 HydrophobicContact CE1-CD1 4.48Å; F133-L160 HydrophobicContact CE2-CB 3.92Å; F133-L160 HydrophobicContact CZ-CB 3.53Å; F133-L164 HydrophobicContact CE2-CB 4.46Å; F133-L164 HydrophobicContact CE2-CD2 4.04Å
134T83.8Confident76.6Confident100 Ų10075 Ų7561%0.61341%0.409SS*.Hα-helixtrans-67.3-32.5179.458.40000112.8L130 L131L130-T134 PolarHBondContact O-N 3.45Å; L130-T134 VanDerWaalsContact O-N 3.08Å; L131-T134 PolarHBondContact O-OG1 2.77Å; L131-T134 VanDerWaalsContact O-OG1 3.12Å
135Q76.1Confident74.2Confident98 Ų9879.9 Ų79.946%0.45843%0.429SS..Hα-helixtrans-70.9-34.4176-74.9176.8-5.800113.5L131 F133 H137 R138L131-Q135 VanDerWaalsContact O-CG 3.28Å; L131-Q135 WeakPolarHBondContact O-CG 3.31Å; L131-Q135 PolarHBondContact O-N 3.02Å; F133-Q135 VanDerWaalsContact C-N 3.32Å; F133-Q135 PolarHBondContact O-N 3Å; Q135-H137 PolarHBondContact O-N 2.94Å; Q135-R138 PolarHBondContact O-N 3.23Å
136Q66.5Low72.4Confident14 Ų1486.7 Ų86.77%0.06546%0.461CS..Hα-helixtrans-63.6-25-175.6-82.5169.318.300113.9S132 F133 R138 V139 L156 L157S132-Q136 WeakPolarHBondContact O-CG 3.38Å; S132-Q136 PolarHBondContact O-N 2.97Å; F133-Q136 PolarHBondContact O-N 3.47Å; Q136-R138 PolarHBondContact O-N 3.47Å; Q136-V139 PolarHBondContact O-N 3.46Å; Q136-L156 HydrophobicContact CG-CD2 4.21Å; Q136-L156 VanDerWaalsContact NE2-CD2 3.26Å; Q136-L156 VanDerWaalsContact NE2-CG 3.33Å; Q136-L157 VanDerWaalsContact OE1-CD2 3.3Å
137H60.4Low70.8Confident169 Ų16987.9 Ų87.978%0.78248%0.479SS*.THydrogen-bonded Turntrans-62.2-8.6179.4-128.2-51.6000115.2Q135Q135-H137 PolarHBondContact O-N 2.94Å
138R61.8Low69.6Low198 Ų19889.9 Ų89.975%0.74749%0.489SS*.THydrogen-bonded Turntrans-99.6-10.6172.6-71.3-172.8177.3178.20.7114.8Q135 Q136 Q141Q135-R138 PolarHBondContact O-N 3.23Å; Q136-R138 PolarHBondContact O-N 3.47Å; R138-Q141 WeakPolarHBondContact O-CB 3.24Å
139V61.9Low68.6Low83 Ų8391.4 Ų91.450%0.50350%0.501SS..THydrogen-bonded Turntrans-79.9-46.3-158.8178.70000114.1Q136 Q141Q136-V139 PolarHBondContact O-N 3.46Å; V139-Q141 VanDerWaalsContact C-N 3.3Å; V139-Q141 PolarHBondContact O-N 2.74Å
140C63.8Low67.8Low42 Ų4295.9 Ų95.928%0.28453%0.528SS..THydrogen-bonded Turntrans-91.136.4175.9-69.10000112.9T142 C149C140-T142 VanDerWaalsContact C-N 3.29Å; C140-T142 PolarHBondContact O-N 3.39Å; C140-C149 HydrophobicContact CB-CB 4.23Å; C140-C149 WeakPolarHBondContact CB-SG 3.49Å; C140-C149 WeakPolarHBondContact SG-CB 3.45Å; C140-C149 CovalentContact SG-SG 2.06Å; C140-C149 PolarHBondContact SG-SG 3.45Å
141Q57.5Low67.1Low157 Ų15796.6 Ų96.673%0.73454%0.536SS*.  trans-82.66.5-175.8-150.1176.429.100115R138 V139R138-Q141 WeakPolarHBondContact O-CB 3.24Å; V139-Q141 VanDerWaalsContact C-N 3.3Å; V139-Q141 PolarHBondContact O-N 2.74Å
142T56.4Low66.4Low109 Ų10994.2 Ų94.267%0.66953%0.532SS*.SBendtrans-108.1135.117253.80000110.7C140 S144C140-T142 VanDerWaalsContact C-N 3.29Å; C140-T142 PolarHBondContact O-N 3.39Å; T142-S144 PolarHBondContact O-N 3.28Å
143P50.5Low66Low137 Ų13797.2 Ų97.289%0.8955%0.546SS*.  trans-78.367.3178.433.8-36000110.5
144S49.7Very low65.8Low99 Ų9999 Ų9969%0.69256%0.562SS**  trans-69.5144.4167.8-155.40000109.9T142T142-S144 PolarHBondContact O-N 3.28Å
145L45.3Very low65.8Low139 Ų13998.8 Ų98.873%0.72856%0.556SS**SBendtrans-69.2172.9164.5-146.770.9000109.4
146E55.7Low66.2Low144 Ų14495.3 Ų95.367%0.67354%0.54SS*.SBendtrans66.7141.5-171.8-73.852.7-96.900115.4P148E146-P148 WeakPolarHBondContact O-CD 3.32Å
147G62.4Low67.2Low51 Ų5197.5 Ų97.553%0.52655%0.552SS.*THydrogen-bonded Turntrans-81.7-1.4-174.500000120.3C149 V151G147-C149 VanDerWaalsContact C-N 3.33Å; G147-C149 PolarHBondContact O-N 2.9Å; G147-V151 PolarHBondContact O-N 3.48Å
148P69.1Low68.7Low92 Ų9291.1 Ų91.160%0.59753%0.532SS*.Hα-helixtrans-74.6-15.1-171.130.4-33.9000114.6E146 G152E146-P148 WeakPolarHBondContact O-CD 3.32Å; P148-G152 PolarHBondContact O-N 2.83Å
149C71.1Confident70Confident62 Ų6282.3 Ų82.342%0.41950%0.5SS..Hα-helixtrans-60.7-53.7173.1-146.10000109.8C140 G147 V151 G152 E153C140-C149 HydrophobicContact CB-CB 4.23Å; C140-C149 WeakPolarHBondContact CB-SG 3.49Å; C140-C149 WeakPolarHBondContact SG-CB 3.45Å; C140-C149 CovalentContact SG-SG 2.06Å; C140-C149 PolarHBondContact SG-SG 3.45Å; G147-C149 VanDerWaalsContact C-N 3.33Å; G147-C149 PolarHBondContact O-N 2.9Å; C149-V151 PolarHBondContact O-N 3.05Å; C149-G152 PolarHBondContact O-N 3.35Å; C149-E153 VanDerWaalsContact O-CB 3.28Å; C149-E153 WeakPolarHBondContact O-CB 3.27Å; C149-E153 PolarHBondContact O-N 2.94Å
150V74.2Confident71.4Confident94 Ų9478.3 Ų78.357%0.5748%0.476SS*.Hα-helixtrans-62.3-40.7-179.1-175.50000112.1T154V150-T154 VanDerWaalsContact O-CB 3.29Å; V150-T154 WeakPolarHBondContact O-CB 3.29Å; V150-T154 PolarHBondContact O-N 3.5Å; V150-T154 PolarHBondContact O-OG1 2.72Å
151V77Confident72.8Confident102 Ų10278.8 Ų78.862%0.61848%0.479SS*.Hα-helixtrans-69.3-41.4177.6179.10000111.2G147 C149 L155G147-V151 PolarHBondContact O-N 3.48Å; C149-V151 PolarHBondContact O-N 3.05Å; V151-L155 VanDerWaalsContact O-CB 3.3Å; V151-L155 WeakPolarHBondContact O-CB 3.28Å; V151-L155 PolarHBondContact O-N 3.16Å
152G77.1Confident74.6Confident36 Ų3673.9 Ų73.937%0.37146%0.46SS..Hα-helixtrans-64.7-45.1176.200000112.3P148 C149 L155 L156P148-G152 PolarHBondContact O-N 2.83Å; C149-G152 PolarHBondContact O-N 3.35Å; G152-L155 PolarHBondContact O-N 2.92Å; G152-L156 WeakPolarHBondContact O-CB 3.48Å; G152-L156 PolarHBondContact O-N 2.8Å
153E78.5Confident76.4Confident63 Ų6368.9 Ų68.929%0.29443%0.429SS..Hα-helixtrans-60.5-49174.5-175-179.4173.500111.4C149 L155 L156 L157C149-E153 VanDerWaalsContact O-CB 3.28Å; C149-E153 WeakPolarHBondContact O-CB 3.27Å; C149-E153 PolarHBondContact O-N 2.94Å; E153-L155 PolarHBondContact O-N 3.45Å; E153-L156 WeakPolarHBondContact O-CB 3.28Å; E153-L156 PolarHBondContact O-N 3.19Å; E153-L157 HydrophobicContact CG-CD1 3.9Å; E153-L157 HydrophobicContact CG-CG 4.39Å; E153-L157 WeakPolarHBondContact O-CB 3.26Å; E153-L157 VanDerWaalsContact O-CG 3.3Å; E153-L157 WeakPolarHBondContact O-CG 3.42Å; E153-L157 PolarHBondContact O-N 3.43Å
154T83.4Confident78.5Confident91 Ų9163.8 Ų63.856%0.55840%0.395SS*.Hα-helixtrans-60.7-43.5178-570000111.8V150 G158V150-T154 VanDerWaalsContact O-CB 3.29Å; V150-T154 WeakPolarHBondContact O-CB 3.29Å; V150-T154 PolarHBondContact O-N 3.5Å; V150-T154 PolarHBondContact O-OG1 2.72Å; T154-G158 PolarHBondContact O-N 2.99Å
155L84.5Confident80.7Confident95 Ų9563.9 Ų63.950%0.49739%0.386SS..Hα-helixtrans-63.7-42.1176-178.467.7000111.6V151 G152 E153 G158 I159V151-L155 VanDerWaalsContact O-CB 3.3Å; V151-L155 WeakPolarHBondContact O-CB 3.28Å; V151-L155 PolarHBondContact O-N 3.16Å; G152-L155 PolarHBondContact O-N 2.92Å; E153-L155 PolarHBondContact O-N 3.45Å; L155-G158 PolarHBondContact O-N 2.84Å; L155-I159 HydrophobicContact CD1-CD1 4.24Å; L155-I159 HydrophobicContact CG-CD1 4.01Å; L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.42Å; L155-I159 PolarHBondContact O-N 3.43Å
156L84.4Confident83.1Confident25 Ų2558.1 Ų58.113%0.13136%0.356CS..Hα-helixtrans-66.9-48.2-179.317760.9000112.1L63 F67 P75 Q136 G152 E153 G158 I159 L160L63-L156 HydrophobicContact CD2-CD1 3.63Å; F67-L156 HydrophobicContact CE2-CD1 3.69Å; F67-L156 HydrophobicContact CZ-CD1 3.66Å; F67-L156 HydrophobicContact CZ-CD2 3.78Å; F67-L156 HydrophobicContact CZ-CG 4.33Å; P75-L156 HydrophobicContact CG-CD1 4.49Å; Q136-L156 HydrophobicContact CG-CD2 4.21Å; Q136-L156 VanDerWaalsContact NE2-CD2 3.26Å; Q136-L156 VanDerWaalsContact NE2-CG 3.33Å; G152-L156 WeakPolarHBondContact O-CB 3.48Å; G152-L156 PolarHBondContact O-N 2.8Å; E153-L156 WeakPolarHBondContact O-CB 3.28Å; E153-L156 PolarHBondContact O-N 3.19Å; L156-G158 VanDerWaalsContact C-N 3.3Å; L156-G158 PolarHBondContact O-N 2.96Å; L156-I159 PolarHBondContact O-N 3.48Å; L156-L160 WeakPolarHBondContact O-CG 3.45Å; L156-L160 PolarHBondContact O-N 2.95Å
157L86.8Confident85Confident59 Ų5951.2 Ų51.231%0.30932%0.324SS..Hα-helixtrans-58.8-42.4173.1-71.8169.5000111F133 Q136 E153 L160 S161F133-L157 HydrophobicContact CD1-CD2 3.62Å; F133-L157 HydrophobicContact CE1-CD2 3.71Å; Q136-L157 VanDerWaalsContact OE1-CD2 3.3Å; E153-L157 HydrophobicContact CG-CD1 3.9Å; E153-L157 HydrophobicContact CG-CG 4.39Å; E153-L157 WeakPolarHBondContact O-CB 3.26Å; E153-L157 VanDerWaalsContact O-CG 3.3Å; E153-L157 WeakPolarHBondContact O-CG 3.42Å; E153-L157 PolarHBondContact O-N 3.43Å; L157-L160 PolarHBondContact O-N 3Å; L157-S161 VanDerWaalsContact O-CB 3.28Å; L157-S161 WeakPolarHBondContact O-CB 3.47Å; L157-S161 PolarHBondContact O-N 2.97Å
158G90.5Very high86.6Confident36 Ų3652.8 Ų52.837%0.37132%0.319SS..Hα-helixtrans-59.7-47.1174.500000112.8T154 L155 L156 S161 V162T154-G158 PolarHBondContact O-N 2.99Å; L155-G158 PolarHBondContact O-N 2.84Å; L156-G158 VanDerWaalsContact C-N 3.3Å; L156-G158 PolarHBondContact O-N 2.96Å; G158-S161 PolarHBondContact O-N 3.49Å; G158-V162 WeakPolarHBondContact O-CG2 3.46Å; G158-V162 PolarHBondContact O-N 2.85Å
159I90.8Very high87.8Confident12 Ų1251 Ų516%0.06231%0.306CS..Hα-helixtrans-67.7-41.1178.2-65.4163.4000111.5F59 I62 L63 L155 L156 S161 V162 L163F59-I159 HydrophobicContact CB-CG2 3.94Å; F59-I159 HydrophobicContact CD1-CB 4.46Å; F59-I159 HydrophobicContact CD1-CG1 4.15Å; F59-I159 HydrophobicContact CD1-CG2 3.68Å; F59-I159 HydrophobicContact CE1-CG1 4.4Å; F59-I159 HydrophobicContact CG-CG2 4.08Å; I62-I159 HydrophobicContact CG2-CD1 3.94Å; L63-I159 HydrophobicContact CD1-CG2 3.86Å; L63-I159 HydrophobicContact CD2-CB 4.14Å; L63-I159 HydrophobicContact CD2-CD1 4.06Å; L63-I159 HydrophobicContact CD2-CG2 3.79Å; L63-I159 HydrophobicContact CG-CG2 3.75Å; L155-I159 HydrophobicContact CD1-CD1 4.24Å; L155-I159 HydrophobicContact CG-CD1 4.01Å; L155-I159 VanDerWaalsContact O-CG1 3.29Å; L155-I159 WeakPolarHBondContact O-CG1 3.42Å; L155-I159 PolarHBondContact O-N 3.43Å; L156-I159 PolarHBondContact O-N 3.48Å; I159-S161 VanDerWaalsContact C-N 3.3Å; I159-S161 PolarHBondContact O-N 3.04Å; I159-V162 PolarHBondContact O-N 3.35Å; I159-L163 HydrophobicContact CG2-CD1 4.11Å; I159-L163 WeakPolarHBondContact O-CB 3.24Å; I159-L163 WeakPolarHBondContact O-CG 3.43Å; I159-L163 PolarHBondContact O-N 3.5Å
160L91.4Very high89Confident0 Ų048 Ų480%029%0.286CS..Hα-helixtrans-63.2-36.4174.1-72.8-167.3000112.1V77 T129 F133 L156 L157 L163 L164V77-L160 HydrophobicContact CG2-CD2 4.47Å; T129-L160 HydrophobicContact CG2-CB 4.31Å; T129-L160 HydrophobicContact CG2-CD2 4.4Å; F133-L160 HydrophobicContact CD1-CD1 4.42Å; F133-L160 HydrophobicContact CE1-CB 3.88Å; F133-L160 HydrophobicContact CE1-CD1 4.48Å; F133-L160 HydrophobicContact CE2-CB 3.92Å; F133-L160 HydrophobicContact CZ-CB 3.53Å; L156-L160 WeakPolarHBondContact O-CG 3.45Å; L156-L160 PolarHBondContact O-N 2.95Å; L157-L160 PolarHBondContact O-N 3Å; L160-L163 HydrophobicContact CD2-CD1 4.38Å; L160-L163 PolarHBondContact O-N 2.62Å; L160-L164 WeakPolarHBondContact O-CB 3.26Å; L160-L164 PolarHBondContact O-N 3.42Å
161S92.6Very high90Very high51 Ų5145.2 Ų45.236%0.35727%0.268SS..Hα-helixtrans-65.1-45.1176.6-176.20000111.3L157 G158 I159 L163 L164 I165L157-S161 VanDerWaalsContact O-CB 3.28Å; L157-S161 WeakPolarHBondContact O-CB 3.47Å; L157-S161 PolarHBondContact O-N 2.97Å; G158-S161 PolarHBondContact O-N 3.49Å; I159-S161 VanDerWaalsContact C-N 3.3Å; I159-S161 PolarHBondContact O-N 3.04Å; S161-L163 PolarHBondContact O-N 3.18Å; S161-L164 PolarHBondContact O-N 3.04Å; S161-I165 VanDerWaalsContact O-CG1 3.31Å; S161-I165 WeakPolarHBondContact O-CG1 3.27Å; S161-I165 PolarHBondContact O-N 3.33Å
162V94.4Very high90.8Very high55 Ų5543.3 Ų43.333%0.33326%0.259SS..Hα-helixtrans-63.4-40174.6174.80000111.7F59 G158 I159 I165 I166F59-V162 HydrophobicContact CD2-CG1 4.1Å; F59-V162 HydrophobicContact CE2-CB 4.45Å; F59-V162 HydrophobicContact CE2-CG1 3.42Å; F59-V162 VanDerWaalsContact CE2-CG1 3.42Å; F59-V162 HydrophobicContact CZ-CB 4.45Å; F59-V162 HydrophobicContact CZ-CG1 3.72Å; G158-V162 WeakPolarHBondContact O-CG2 3.46Å; G158-V162 PolarHBondContact O-N 2.85Å; I159-V162 PolarHBondContact O-N 3.35Å; V162-I165 PolarHBondContact O-N 2.83Å; V162-I166 HydrophobicContact CG1-CD1 3.69Å; V162-I166 HydrophobicContact CG1-CG1 4.41Å; V162-I166 WeakPolarHBondContact O-CB 3.26Å; V162-I166 VanDerWaalsContact O-CG1 3.24Å; V162-I166 WeakPolarHBondContact O-CG1 3.35Å; V162-I166 PolarHBondContact O-N 3.4Å
163L94.2Very high91.5Very high3 Ų342.5 Ų42.52%0.01625%0.246CC..Hα-helixtrans-64-39.9173.6-76170.5000112.5I56 F59 L63 I159 L160 S161 I166 T167I56-L163 HydrophobicContact CB-CD2 4.42Å; I56-L163 HydrophobicContact CG1-CD2 4.37Å; I56-L163 HydrophobicContact CG2-CD2 4.09Å; F59-L163 HydrophobicContact CB-CD1 4.37Å; F59-L163 HydrophobicContact CB-CD2 3.95Å; F59-L163 HydrophobicContact CB-CG 4.16Å; L63-L163 HydrophobicContact CD1-CD1 3.75Å; I159-L163 HydrophobicContact CG2-CD1 4.11Å; I159-L163 WeakPolarHBondContact O-CB 3.24Å; I159-L163 WeakPolarHBondContact O-CG 3.43Å; I159-L163 PolarHBondContact O-N 3.5Å; L160-L163 HydrophobicContact CD2-CD1 4.38Å; L160-L163 PolarHBondContact O-N 2.62Å; S161-L163 PolarHBondContact O-N 3.18Å; L163-I166 PolarHBondContact O-N 3.03Å; L163-T167 WeakPolarHBondContact O-CB 3.41Å; L163-T167 VanDerWaalsContact O-CG2 3.32Å; L163-T167 WeakPolarHBondContact O-CG2 3.45Å; L163-T167 PolarHBondContact O-N 3.13Å; L163-T167 PolarHBondContact O-OG1 3.45Å
164L94.9Very high92.2Very high31 Ų3139.5 Ų39.516%0.16223%0.232CC..Hα-helixtrans-63.1-47.3175.8-177.361.8000111.1I126 T129 L130 F133 L160 S161 I166 T167 I168I126-L164 HydrophobicContact CB-CD1 4.41Å; I126-L164 HydrophobicContact CG1-CD1 4.25Å; I126-L164 HydrophobicContact CG2-CD1 4.05Å; T129-L164 HydrophobicContact CG2-CB 3.97Å; T129-L164 HydrophobicContact CG2-CD1 4.47Å; L130-L164 HydrophobicContact CD2-CD1 4.45Å; L130-L164 HydrophobicContact CD2-CD2 4.09Å; L130-L164 HydrophobicContact CG-CD1 4.42Å; F133-L164 HydrophobicContact CE2-CB 4.46Å; F133-L164 HydrophobicContact CE2-CD2 4.04Å; L160-L164 WeakPolarHBondContact O-CB 3.26Å; L160-L164 PolarHBondContact O-N 3.42Å; S161-L164 PolarHBondContact O-N 3.04Å; L164-I166 PolarHBondContact O-N 3.21Å; L164-T167 PolarHBondContact O-N 3.44Å; L164-T167 PolarHBondContact O-OG1 3.03Å; L164-T167 VanDerWaalsContact O-OG1 3.05Å; L164-I168 HydrophobicContact CD1-CD1 4.1Å; L164-I168 HydrophobicContact CG-CD1 3.97Å; L164-I168 WeakPolarHBondContact O-CD1 3.47Å; L164-I168 VanDerWaalsContact O-CG1 3.27Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 3.02Å
165I95.9Very high92.5Very high100 Ų10038.4 Ų38.451%0.51323%0.225SC..Hα-helixtrans-59.8-47.5176.9-66.9163.3000110.7S161 V162 T167 I168 V169S161-I165 VanDerWaalsContact O-CG1 3.31Å; S161-I165 WeakPolarHBondContact O-CG1 3.27Å; S161-I165 PolarHBondContact O-N 3.33Å; V162-I165 PolarHBondContact O-N 2.83Å; I165-T167 PolarHBondContact O-N 3.47Å; I165-I168 PolarHBondContact O-N 3.06Å; I165-V169 WeakPolarHBondContact O-CG2 3.37Å; I165-V169 PolarHBondContact O-N 3.01Å
166I95.5Very high92.7Very high18 Ų1836.3 Ų36.39%0.09222%0.216CC..Hα-helixtrans-64-40.7-180-68.7167.3000111.5L52 V55 I56 F59 V162 L163 L164 V169 E170L52-I166 HydrophobicContact CB-CG2 4.07Å; L52-I166 HydrophobicContact CD2-CG2 4.12Å; V55-I166 HydrophobicContact CB-CD1 4.39Å; V55-I166 HydrophobicContact CG1-CD1 3.56Å; I56-I166 HydrophobicContact CD1-CG2 3.82Å; I56-I166 HydrophobicContact CG1-CG2 3.62Å; F59-I166 HydrophobicContact CD2-CD1 4.46Å; F59-I166 HydrophobicContact CE2-CD1 4.34Å; V162-I166 HydrophobicContact CG1-CD1 3.69Å; V162-I166 HydrophobicContact CG1-CG1 4.41Å; V162-I166 WeakPolarHBondContact O-CB 3.26Å; V162-I166 VanDerWaalsContact O-CG1 3.24Å; V162-I166 WeakPolarHBondContact O-CG1 3.35Å; V162-I166 PolarHBondContact O-N 3.4Å; L163-I166 PolarHBondContact O-N 3.03Å; L164-I166 PolarHBondContact O-N 3.21Å; I166-V169 PolarHBondContact O-N 3.06Å; I166-E170 PolarHBondContact O-N 3.32Å
167T95.6Very high92.8Very high0 Ų035.7 Ų35.70%021%0.213CC..Hα-helixtrans-71.3-30179.350.80000113.2I56 Y82 L163 L164 I165 E170 L171I56-T167 HydrophobicContact CD1-CG2 4.47Å; Y82-T167 HydrophobicContact CE1-CG2 3.87Å; Y82-T167 VanDerWaalsContact OH-CG2 3.24Å; Y82-T167 WeakPolarHBondContact OH-CG2 3.33Å; L163-T167 WeakPolarHBondContact O-CB 3.41Å; L163-T167 VanDerWaalsContact O-CG2 3.32Å; L163-T167 WeakPolarHBondContact O-CG2 3.45Å; L163-T167 PolarHBondContact O-N 3.13Å; L163-T167 PolarHBondContact O-OG1 3.45Å; L164-T167 PolarHBondContact O-N 3.44Å; L164-T167 PolarHBondContact O-OG1 3.03Å; L164-T167 VanDerWaalsContact O-OG1 3.05Å; I165-T167 PolarHBondContact O-N 3.47Å; T167-E170 PolarHBondContact O-N 2.89Å; T167-L171 WeakPolarHBondContact O-CB 3.4Å; T167-L171 PolarHBondContact O-N 2.88Å
168I96.2Very high92.7Very high84 Ų8434.6 Ų34.643%0.43121%0.209SC..Hα-helixtrans-65.9-38.1168.4-68.9165.1000111.1I126 L164 I165 L171 S172I126-I168 HydrophobicContact CD1-CG1 3.88Å; I126-I168 HydrophobicContact CG1-CG1 4.15Å; L164-I168 HydrophobicContact CD1-CD1 4.1Å; L164-I168 HydrophobicContact CG-CD1 3.97Å; L164-I168 WeakPolarHBondContact O-CD1 3.47Å; L164-I168 VanDerWaalsContact O-CG1 3.27Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 3.02Å; I165-I168 PolarHBondContact O-N 3.06Å; I168-L171 PolarHBondContact O-N 3.23Å; I168-S172 PolarHBondContact O-N 3.43Å
169V95.8Very high92.4Very high54 Ų5435.2 Ų35.233%0.32721%0.208SC..Hα-helixtrans-69.5-40.5174.7176.90000111.8L52 I165 I166 L171 S172 I173L52-V169 HydrophobicContact CD1-CB 4.3Å; L52-V169 HydrophobicContact CD1-CG1 3.61Å; I165-V169 WeakPolarHBondContact O-CG2 3.37Å; I165-V169 PolarHBondContact O-N 3.01Å; I166-V169 PolarHBondContact O-N 3.06Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.33Å; V169-S172 PolarHBondContact O-N 3.47Å; V169-S172 PolarHBondContact O-OG 3.11Å; V169-S172 VanDerWaalsContact O-OG 3.06Å; V169-I173 HydrophobicContact CG1-CD1 3.76Å; V169-I173 HydrophobicContact CG1-CG1 4.3Å; V169-I173 VanDerWaalsContact O-CG1 3.31Å; V169-I173 WeakPolarHBondContact O-CG1 3.38Å; V169-I173 PolarHBondContact O-N 3.04Å
170E95.5Very high91.7Very high0 Ų037.8 Ų37.80%022%0.221CC..Hα-helixtrans-62.2-38.6172.8-77-75.2-159.500112.1L52 I56 F90 I166 T167 S174L52-E170 HydrophobicContact CB-CG 4.15Å; L52-E170 WeakPolarHBondContact CB-OE1 3.33Å; L52-E170 HydrophobicContact CD1-CG 4.19Å; I56-E170 HydrophobicContact CD1-CG 4.42Å; F90-E170 HydrophobicContact CD1-CB 4.24Å; F90-E170 HydrophobicContact CD1-CG 4.28Å; F90-E170 HydrophobicContact CD2-CG 4.14Å; F90-E170 HydrophobicContact CE1-CB 3.93Å; F90-E170 HydrophobicContact CE1-CG 4.37Å; F90-E170 HydrophobicContact CE2-CB 4.38Å; F90-E170 HydrophobicContact CE2-CG 4.23Å; F90-E170 HydrophobicContact CG-CG 4.19Å; F90-E170 HydrophobicContact CZ-CB 4.01Å; F90-E170 HydrophobicContact CZ-CG 4.34Å; I166-E170 PolarHBondContact O-N 3.32Å; T167-E170 PolarHBondContact O-N 2.89Å; E170-S174 WeakPolarHBondContact O-CB 3.5Å; E170-S174 PolarHBondContact O-N 3.39Å; E170-S174 PolarHBondContact O-OG 2.87Å
171L95.6Very high90.7Very high35 Ų3540.8 Ų40.818%0.18323%0.233CC..Hα-helixtrans-61.9-48.2172.6-178.758.7000111.3A122 L123 I126 T167 I168 V169 S174 V175A122-L171 HydrophobicContact CB-CB 3.75Å; A122-L171 HydrophobicContact CB-CD1 4.25Å; L123-L171 HydrophobicContact CD2-CD1 4.46Å; L123-L171 HydrophobicContact CD2-CD2 3.8Å; L123-L171 HydrophobicContact CG-CD1 4.12Å; L123-L171 HydrophobicContact CG-CD2 4.29Å; I126-L171 HydrophobicContact CD1-CB 4.45Å; I126-L171 HydrophobicContact CD1-CD2 3.82Å; T167-L171 WeakPolarHBondContact O-CB 3.4Å; T167-L171 PolarHBondContact O-N 2.88Å; I168-L171 PolarHBondContact O-N 3.23Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.33Å; L171-S174 PolarHBondContact O-N 3.07Å; L171-V175 HydrophobicContact CD1-CG2 3.94Å; L171-V175 HydrophobicContact CG-CG2 4.43Å; L171-V175 WeakPolarHBondContact O-CB 3.48Å; L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.25Å; L171-V175 PolarHBondContact O-N 3.37Å
172S93.5Very high89.3Confident61 Ų6141.3 Ų41.343%0.42724%0.236SC..Hα-helixtrans-67.2-38.5-177.376.10000112.4I168 V169 T176I168-S172 PolarHBondContact O-N 3.43Å; V169-S172 PolarHBondContact O-N 3.47Å; V169-S172 PolarHBondContact O-OG 3.11Å; V169-S172 VanDerWaalsContact O-OG 3.06Å; S172-T176 WeakPolarHBondContact O-CB 3.34Å; S172-T176 PolarHBondContact O-N 2.86Å; S172-T176 PolarHBondContact O-OG1 3.45Å
173I91.8Very high87.5Confident20 Ų2048.1 Ų48.110%0.10326%0.256CS..Hα-helixtrans-65.1-47.4172.8-64.1166.5000110.3L45 I48 Q49 L52 V169 V175 T176 V177L45-I173 HydrophobicContact CB-CG2 4.29Å; L45-I173 HydrophobicContact CD2-CG2 4.46Å; I48-I173 HydrophobicContact CB-CD1 4.38Å; I48-I173 HydrophobicContact CG2-CD1 3.55Å; Q49-I173 HydrophobicContact CG-CG2 3.73Å; L52-I173 HydrophobicContact CD1-CD1 3.8Å; V169-I173 HydrophobicContact CG1-CD1 3.76Å; V169-I173 HydrophobicContact CG1-CG1 4.3Å; V169-I173 VanDerWaalsContact O-CG1 3.31Å; V169-I173 WeakPolarHBondContact O-CG1 3.38Å; V169-I173 PolarHBondContact O-N 3.04Å; I173-V175 PolarHBondContact O-N 3.25Å; I173-T176 WeakPolarHBondContact O-CB 3.3Å; I173-T176 PolarHBondContact O-N 3.33Å; I173-T176 VanDerWaalsContact O-N 3.13Å; I173-V177 HydrophobicContact CG2-CG2 4.32Å; I173-V177 WeakPolarHBondContact O-CG2 3.42Å; I173-V177 PolarHBondContact O-N 3.14Å
174S92.1Very high85.4Confident0 Ų052.3 Ų52.30%028%0.284CS..Hα-helixtrans-60.5-45.6-179.8-590000111.9S118 E170 L171 V177 V178S118-S174 WeakPolarHBondContact CB-OG 3.47Å; S118-S174 PolarHBondContact OG-OG 3.06Å; E170-S174 WeakPolarHBondContact O-CB 3.5Å; E170-S174 PolarHBondContact O-N 3.39Å; E170-S174 PolarHBondContact O-OG 2.87Å; L171-S174 PolarHBondContact O-N 3.07Å; S174-V177 PolarHBondContact O-N 2.95Å; S174-V178 WeakPolarHBondContact O-CG2 3.37Å; S174-V178 PolarHBondContact O-N 3.21Å
175V91.2Very high82.9Confident67 Ų6759.5 Ų59.541%0.40631%0.309SS..Hα-helixtrans-65-37.9174.7171.20000111.3L171 I173 V178 S179L171-V175 HydrophobicContact CD1-CG2 3.94Å; L171-V175 HydrophobicContact CG-CG2 4.43Å; L171-V175 WeakPolarHBondContact O-CB 3.48Å; L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.25Å; L171-V175 PolarHBondContact O-N 3.37Å; I173-V175 PolarHBondContact O-N 3.25Å; V175-V178 PolarHBondContact O-N 3.44Å; V175-S179 VanDerWaalsContact O-CB 3.22Å; V175-S179 WeakPolarHBondContact O-CB 3.31Å; V175-S179 PolarHBondContact O-N 2.86Å; V175-S179 PolarHBondContact O-OG 3.46Å
176T87.9Confident80.2Confident51 Ų5159.6 Ų59.631%0.31332%0.315SS..Hα-helixtrans-64.4-45.1175.4-62.70000111.5L45 S172 I173 V178 S179 L180L45-T176 HydrophobicContact CD2-CG2 4.39Å; S172-T176 WeakPolarHBondContact O-CB 3.34Å; S172-T176 PolarHBondContact O-N 2.86Å; S172-T176 PolarHBondContact O-OG1 3.45Å; I173-T176 WeakPolarHBondContact O-CB 3.3Å; I173-T176 PolarHBondContact O-N 3.33Å; I173-T176 VanDerWaalsContact O-N 3.13Å; T176-V178 PolarHBondContact O-N 3.18Å; T176-S179 PolarHBondContact O-N 3.14Å; T176-L180 HydrophobicContact CG2-CD1 3.76Å; T176-L180 HydrophobicContact CG2-CG 4.16Å; T176-L180 WeakPolarHBondContact O-CB 3.4Å; T176-L180 WeakPolarHBondContact O-CG 3.43Å; T176-L180 PolarHBondContact O-N 3.43Å
177V85.7Confident77.3Confident13 Ų1360.8 Ų60.88%0.07932%0.324CS..Hα-helixtrans-62.7-41.9176.6175.50000111L45 T97 V111 N115 I173 S174 R181L45-V177 HydrophobicContact CB-CG2 4.33Å; L45-V177 HydrophobicContact CD2-CG2 3.75Å; T97-V177 HydrophobicContact CG2-CG1 4.33Å; T97-V177 HydrophobicContact CG2-CG2 4.31Å; V111-V177 HydrophobicContact CG1-CG1 4.28Å; N115-V177 HydrophobicContact CB-CB 4.5Å; N115-V177 HydrophobicContact CB-CG1 4.34Å; I173-V177 HydrophobicContact CG2-CG2 4.32Å; I173-V177 WeakPolarHBondContact O-CG2 3.42Å; I173-V177 PolarHBondContact O-N 3.14Å; S174-V177 PolarHBondContact O-N 2.95Å; V177-R181 WeakPolarHBondContact O-CB 3.44Å; V177-R181 PolarHBondContact O-N 2.86Å
178V85.9Confident74.5Confident36 Ų3667.3 Ų67.322%0.21837%0.367CS..Hα-helixtrans-64.5-40.4173.6173.60000111.8N115 V116 S174 V175 T176 R181 S182N115-V178 HydrophobicContact CB-CG2 3.69Å; V116-V178 HydrophobicContact CG2-CG2 4.06Å; S174-V178 WeakPolarHBondContact O-CG2 3.37Å; S174-V178 PolarHBondContact O-N 3.21Å; V175-V178 PolarHBondContact O-N 3.44Å; T176-V178 PolarHBondContact O-N 3.18Å; V178-R181 PolarHBondContact O-N 2.9Å; V178-S182 VanDerWaalsContact O-CB 3.31Å; V178-S182 WeakPolarHBondContact O-CB 3.39Å; V178-S182 PolarHBondContact O-N 3.45Å; V178-S182 PolarHBondContact O-OG 2.88Å
179S83.8Confident71.6Confident49 Ų4971.7 Ų71.734%0.34338%0.378SS..Hα-helixtrans-70.3-46.8-177.7-62.30000112.7V175 T176 R181 S182 R183V175-S179 VanDerWaalsContact O-CB 3.22Å; V175-S179 WeakPolarHBondContact O-CB 3.31Å; V175-S179 PolarHBondContact O-N 2.86Å; V175-S179 PolarHBondContact O-OG 3.46Å; T176-S179 PolarHBondContact O-N 3.14Å; S179-R181 VanDerWaalsContact C-N 3.33Å; S179-R181 PolarHBondContact O-N 3.49Å; S179-S182 PolarHBondContact O-OG 2.97Å; S179-S182 VanDerWaalsContact O-OG 3.09Å; S179-R183 WeakPolarHBondContact O-CB 3.46Å; S179-R183 WeakPolarHBondContact O-CG 3.39Å; S179-R183 PolarHBondContact O-N 2.87Å
180L76.4Confident68.7Low65 Ų6575.4 Ų75.434%0.3439%0.392SS..Hα-helixtrans-60.1-44.8172.6-69.4171.9000110.6L38 T176 S182 R183 C184L38-L180 WeakPolarHBondContact O-CD1 3.42Å; T176-L180 HydrophobicContact CG2-CD1 3.76Å; T176-L180 HydrophobicContact CG2-CG 4.16Å; T176-L180 WeakPolarHBondContact O-CB 3.4Å; T176-L180 WeakPolarHBondContact O-CG 3.43Å; T176-L180 PolarHBondContact O-N 3.43Å; L180-S182 PolarHBondContact O-N 3.37Å; L180-R183 PolarHBondContact O-N 3.44Å; L180-C184 WeakPolarHBondContact O-CB 3.5Å; L180-C184 PolarHBondContact O-N 3.24Å; L180-C184 PolarHBondContact O-SG 3.48Å
181R70.3Confident65.9Low64 Ų6478.6 Ų78.624%0.24242%0.418CS..Hα-helixtrans-68.2-36.8-177.4-171.9173.7-159.879.85113.7K108 T112 V177 V178 S179K108-R181 VanDerWaalsContact CA-NH2 3.35Å; K108-R181 PolarHBondContact O-NE 3.09Å; K108-R181 PolarHBondContact O-NH2 3.18Å; T112-R181 WeakPolarHBondContact OG1-CD 3.26Å; T112-R181 PolarHBondContact OG1-NE 3.34Å; V177-R181 WeakPolarHBondContact O-CB 3.44Å; V177-R181 PolarHBondContact O-N 2.86Å; V178-R181 PolarHBondContact O-N 2.9Å; S179-R181 VanDerWaalsContact C-N 3.33Å; S179-R181 PolarHBondContact O-N 3.49Å
182S63.7Low63.1Low61 Ų6182 Ų8243%0.42744%0.44SS..Hα-helixtrans-75.2-35176.653.50000112.5V178 S179 L180 T186V178-S182 VanDerWaalsContact O-CB 3.31Å; V178-S182 WeakPolarHBondContact O-CB 3.39Å; V178-S182 PolarHBondContact O-N 3.45Å; V178-S182 PolarHBondContact O-OG 2.88Å; S179-S182 PolarHBondContact O-OG 2.97Å; S179-S182 VanDerWaalsContact O-OG 3.09Å; L180-S182 PolarHBondContact O-N 3.37Å; S182-T186 WeakPolarHBondContact O-CG2 3.21Å; S182-T186 PolarHBondContact O-OG1 3.06Å
183R55.7Low60.4Low199 Ų19984.6 Ų84.675%0.75144%0.444SS*.Hα-helixtrans-78.9-36.3176.7-68.6-178.1177.6-174.50113.6S179 L180S179-R183 WeakPolarHBondContact O-CB 3.46Å; S179-R183 WeakPolarHBondContact O-CG 3.39Å; S179-R183 PolarHBondContact O-N 2.87Å; L180-R183 PolarHBondContact O-N 3.44Å
184C50Low57.5Low90 Ų9089.5 Ų89.561%0.60847%0.465SS*.THydrogen-bonded Turntrans-86.9-0.7-173.6-64.30000116.1L180L180-C184 WeakPolarHBondContact O-CB 3.5Å; L180-C184 PolarHBondContact O-N 3.24Å; L180-C184 PolarHBondContact O-SG 3.48Å
185W42.7Very low55Low183 Ų18394.8 Ų94.869%0.69349%0.488SS*.THydrogen-bonded Turntrans-134.9-0.7-176.6-79.488.8000115.9
186T39.4Very low52.3Low102 Ų10296.2 Ų96.263%0.62650%0.499SS*.SBendtrans-84.7-29.7-177.738.90000113.8S182S182-T186 WeakPolarHBondContact O-CG2 3.21Å; S182-T186 PolarHBondContact O-OG1 3.06Å
187S34Very low49.7Very low42 Ų4298.5 Ų98.529%0.29452%0.517SS..  trans-139.3116.2175.3-80.90000111.8R189 E190S187-R189 PolarHBondContact O-N 2.91Å; S187-E190 VanDerWaalsContact CB-CD 3.45Å; S187-E190 WeakPolarHBondContact CB-OE1 3.28Å; S187-E190 PolarHBondContact O-N 3.25Å; S187-E190 PolarHBondContact OG-OE1 3.44Å
188P38.3Very low47.6Very low138 Ų138106.7 Ų106.790%0.89655%0.554SS**THydrogen-bonded Turntrans-7633.6172.134.6-36.9000112.4
189R33.7Very low45.2Very low175 Ų175108.2 Ų108.266%0.6658%0.577SS**THydrogen-bonded Turntrans-147.8-0.3-173.1-65.3-170.3177.7-150.8-4113.7S187S187-R189 PolarHBondContact O-N 2.91Å
190E35.5Very low42.7Very low132 Ų132110.9 Ų110.962%0.61760%0.602SS**  trans-105.297.2-178.4-75.9172.5-136.700110S187S187-E190 VanDerWaalsContact CB-CD 3.45Å; S187-E190 WeakPolarHBondContact CB-OE1 3.28Å; S187-E190 PolarHBondContact O-N 3.25Å; S187-E190 PolarHBondContact OG-OE1 3.44Å
191A36.6Very low40.7Very low68 Ų68115.8 Ų115.856%0.56262%0.623SS**PPolyproline II helixtrans-91.5119.2167.600000109F193A191-F193 HydrophobicContact CB-CD2 4.42Å; A191-F193 HydrophobicContact CB-CE2 3.68Å; A191-F193 HydrophobicContact CB-CZ 3.98Å
192V37.7Very low38.8Very low106 Ų106120 Ų12064%0.64265%0.65SS**PPolyproline II helixtrans-90.7117.5174.2-179.10000108.4
193F35.3Very low37.5Very low115 Ų115124.2 Ų124.250%0.50467%0.674SS.*PPolyproline II helixtrans-98143.1175.6-63.6-87.8000110.1A191 F195A191-F193 HydrophobicContact CB-CD2 4.42Å; A191-F193 HydrophobicContact CB-CE2 3.68Å; A191-F193 HydrophobicContact CB-CZ 3.98Å; F193-F195 HydrophobicContact CB-CE2 3.79Å; F193-F195 HydrophobicContact CB-CZ 4.25Å
194F32.2Very low36.5Very low123 Ų123124 Ų12454%0.53968%0.681SS.*  trans-107.1130.1178-59.7-93.3000108.9
195F38.5Very low35.7Very low112 Ų112128.2 Ų128.249%0.49169%0.692SS.*BIsolated β-bridgetrans-126.9124.7174.3-63.4-84.3000109F193 F242F193-F195 HydrophobicContact CB-CE2 3.79Å; F193-F195 HydrophobicContact CB-CZ 4.25Å; F195-F242 HydrophobicContact CB-CE2 4.37Å; F195-F242 HydrophobicContact CD2-CD2 4.2Å; F195-F242 HydrophobicContact CD2-CE2 4.09Å
196P35.5Very low35.5Very low97 Ų97124.8 Ų124.863%0.6369%0.693SS**  trans-73.8141.9163.332.2-31.7000109.1
197S33.5Very low35.2Very low98 Ų98124.5 Ų124.569%0.68570%0.701SS**  trans-84.4108.6162.7-1730000107.5G199S197-G199 PolarHBondContact O-N 3.17Å
198E40.5Very low35.1Very low186 Ų186128.6 Ų128.687%0.86973%0.726SS**  trans-66.8125.1169.3-70.8-167.7122.900109.1
199G35.5Very low34.9Very low68 Ų68131.5 Ų131.570%0.70173%0.728SS**  trans-74.6132.8175.400000110S197 Q201S197-G199 PolarHBondContact O-N 3.17Å; G199-Q201 PolarHBondContact O-N 3.06Å
200A31.9Very low34.8Very low104 Ų104131.5 Ų131.586%0.8674%0.735SS**  trans-63.7115.9-17800000111.8
201Q34.5Very low34.6Very low169 Ų169132.1 Ų132.179%0.7974%0.743SS**  trans-139102.8160.8-71.5-161.62.200111.7G199G199-Q201 PolarHBondContact O-N 3.06Å
202N30.7Very low34.2Very low152 Ų152135.9 Ų135.981%0.81375%0.754SS**  trans52.892.5131.9-48.6-14.6000119
203T36.1Very low33.6Very low149 Ų149137 Ų13791%0.91476%0.761SS**  trans-136.3141.9147.4-54.80000108.7
204E33.7Very low33.2Very low195 Ų195139 Ų13991%0.91178%0.776SS**  trans-91.2169.2-172.1-130.4160.5100.800114
205H34.7Very low32.8Very low178 Ų178140.2 Ų140.282%0.82478%0.783SS**  trans-70.4173.8-174.8-104.7-122.9000114.2
206P36.8Very low32.2Very low112 Ų112144.6 Ų144.673%0.72780%0.803SS**  cis-144178.3-46.139.6-21.4000114.7
207A32.9Very low31.7Very low95 Ų95146.6 Ų146.679%0.78580%0.804SS**  trans-148.4149.4154.100000110.8
208P33.6Very low31.4Very low128 Ų128151.3 Ų151.383%0.83181%0.812SS**  trans-114.1100.6-168.237.2-24.5000114.5
209E33Very low30.7Very low200 Ų200148.3 Ų148.394%0.93580%0.798SS**  trans-132.9146.4167.7-71.9-167.5136.500113.7
210E32.9Very low30.3Very low174 Ų174153.5 Ų153.581%0.81380%0.804SS**  trans-4100.4-177.6-57-161.7109.100122.3N212E210-N212 PolarHBondContact O-N 3.35Å; E210-N212 PolarHBondContact O-ND2 2.8Å
211N29.7Very low30.2Very low145 Ų145156.8 Ų156.878%0.77580%0.799SS**  58.551.5115-164.230.4000118.3
212N29.3Very low29.7Very low148 Ų148153.9 Ų153.979%0.79180%0.797SS**  trans-134.146.5166.5-80-81000112.7E210 L214E210-N212 PolarHBondContact O-N 3.35Å; E210-N212 PolarHBondContact O-ND2 2.8Å; N212-L214 VanDerWaalsContact C-N 3.33Å; N212-L214 PolarHBondContact O-N 3.46Å
213T24.5Very low29.7Very low128 Ų128151.9 Ų151.979%0.78580%0.796SS**  trans-7578.8-179.6-45.70000111.8Q215T213-Q215 VanDerWaalsContact C-N 3.3Å; T213-Q215 PolarHBondContact O-N 3.13Å
214L27Very low29.5Very low159 Ų159153.8 Ų153.883%0.83279%0.791SS**  trans-70.785.6168.1-86.3171.5000110.5N212 F216N212-L214 VanDerWaalsContact C-N 3.33Å; N212-L214 PolarHBondContact O-N 3.46Å; L214-F216 PolarHBondContact O-N 3.21Å
215Q23.6Very low29.6Very low147 Ų147152 Ų15269%0.68779%0.787SS**  trans-57.1131.7156.4-80.5-174.4-29.400109.2T213 E217T213-Q215 VanDerWaalsContact C-N 3.3Å; T213-Q215 PolarHBondContact O-N 3.13Å; Q215-E217 HydrophobicContact CB-CB 4.39Å; Q215-E217 PolarHBondContact O-N 2.97Å
216F27.1Very low29.4Very low204 Ų204151.1 Ų151.190%0.89579%0.789SS**  trans-7654161-83.4-90.4000110.5L214 F218L214-F216 PolarHBondContact O-N 3.21Å; F216-F218 PolarHBondContact O-N 2.85Å
217E23.3Very low29.1Very low140 Ų140152.1 Ų152.165%0.65479%0.793SS**  trans-73.9108.6166.7-170.8179.8-161.400108Q215 Q219Q215-E217 HydrophobicContact CB-CB 4.39Å; Q215-E217 PolarHBondContact O-N 2.97Å; E217-Q219 PolarHBondContact O-N 2.65Å
218F28.5Very low29.2Very low196 Ų196152.9 Ų152.986%0.8680%0.799SS**  trans-7772.3-176.4-153.4-86.4000109.9F216 E220F216-F218 PolarHBondContact O-N 2.85Å; F218-E220 PolarHBondContact O-N 2.72Å
219Q24.4Very low29.3Very low124 Ų124150.7 Ų150.758%0.57979%0.788SS**  trans-66.191.9-173.6-171-179.110700111.5E217 K221E217-Q219 PolarHBondContact O-N 2.65Å; Q219-K221 PolarHBondContact O-N 2.94Å; Q219-K221 VanDerWaalsContact OE1-NZ 3.11Å
220E28.6Very low29.3Very low176 Ų176146.2 Ų146.282%0.82278%0.778SS**  trans-65.290.9175.2-170.1-174.3143.500110.4F218 S222F218-E220 PolarHBondContact O-N 2.72Å; E220-S222 PolarHBondContact O-N 2.96Å
221K28.5Very low29.6Very low173 Ų173144.7 Ų144.775%0.75277%0.774SS**  trans-75.576.6176.2-108.6172.5-179.2147.50111.6Q219 S223Q219-K221 PolarHBondContact O-N 2.94Å; Q219-K221 VanDerWaalsContact OE1-NZ 3.11Å; K221-S223 PolarHBondContact O-N 3.43Å
222S25Very low29.9Very low108 Ų108146.4 Ų146.476%0.75578%0.775SS**  trans0.297.7159.3-172.10000115.1E220E220-S222 PolarHBondContact O-N 2.96Å
223S31Very low30.3Very low111 Ų111142.9 Ų142.978%0.77676%0.761SS**  trans-134.6118.3158.7-174.20000107.4K221 D225K221-S223 PolarHBondContact O-N 3.43Å; S223-D225 PolarHBondContact O-N 2.96Å
224K30.7Very low30.9Very low189 Ų189141 Ų14182%0.82275%0.75SS**  trans-68.5100.5-179.3-73.1179.6173.8-179.70110.5
225D36.5Very low31.3Very low156 Ų156139.8 Ų139.883%0.83474%0.738SS**  trans-161.6131.1144.4-95.2-34.7000110.3S223 T227S223-D225 PolarHBondContact O-N 2.96Å; D225-T227 PolarHBondContact O-N 3.43Å
226N30.3Very low31.8Very low160 Ų160137.1 Ų137.186%0.85673%0.728SS**  trans-93.184-155.3-62.9-21.2000114.1
227T31.9Very low32.1Very low133 Ų133131 Ų13182%0.81672%0.723SS**  trans-149.457.4166-380000114.2D225 S229D225-T227 PolarHBondContact O-N 3.43Å; T227-S229 PolarHBondContact O-N 3.05Å
228A33.1Very low32.9Very low111 Ų111127.8 Ų127.892%0.91773%0.727SS**  trans-71.495.9171.400000111.1S230A228-S230 PolarHBondContact O-N 3.47Å
229S37.4Very low33Very low83 Ų83125.2 Ų125.258%0.5871%0.712SS**  trans-77.9114.317965.20000111.5T227T227-S229 PolarHBondContact O-N 3.05Å
230S32.3Very low33.4Very low105 Ų105120 Ų12073%0.73469%0.69SS**PPolyproline II helixtrans-63.1138-178.752.60000113.1A228A228-S230 PolarHBondContact O-N 3.47Å
231I38.9Very low33.9Very low142 Ų142116 Ų11673%0.72867%0.67SS**PPolyproline II helixtrans-82.9116.2173.6-58.9174.6000107.5
232K36Very low34.3Very low182 Ų182113.2 Ų113.279%0.79166%0.658SS**PPolyproline II helixtrans-95119.8166.9-72.8-165.6173.3-167.30109.7
233S38.6Very low34.8Very low73 Ų73116.5 Ų116.551%0.5166%0.659SS.*PPolyproline II helixtrans-77.4152163.644.20000110.6
234V36.9Very low34.9Very low89 Ų89117.6 Ų117.654%0.53966%0.656SS.*  trans-139.8139.7164.7-179.40000106.1L236 F241V234-L236 HydrophobicContact CG1-CD1 4.04Å; V234-F241 PolarHBondContact O-N 3.4Å
235F35.3Very low34.9Very low133 Ų133117.7 Ų117.758%0.58365%0.651SS**EExtended strand (participates in β ladder)trans-116.2129.7179.2-70.2-89.4000110.1A240F235-A240 HydrophobicContact CD1-CB 4.08Å; F235-A240 HydrophobicContact CE1-CB 3.72Å; F235-A240 HydrophobicContact CZ-CB 4.48Å
236L34.3Very low34.9Very low91 Ų91116.1 Ų116.148%0.47665%0.647SS.*EExtended strand (participates in β ladder)trans-131.7124.6165-95.484.4000108.5V234 G238 Y239 F241V234-L236 HydrophobicContact CG1-CD1 4.04Å; L236-G238 PolarHBondContact O-N 2.93Å; L236-Y239 PolarHBondContact N-O 3.22Å; L236-Y239 PolarHBondContact O-N 3.34Å; L236-F241 HydrophobicContact CB-CE2 4.22Å
237G33.2Very low34.9Very low77 Ų77113.1 Ų113.179%0.79464%0.638SS**THydrogen-bonded Turntrans50.351.6163.100000116.1Y239G237-Y239 VanDerWaalsContact C-N 3.33Å; G237-Y239 WeakPolarHBondContact O-CD2 3.42Å; G237-Y239 WeakPolarHBondContact O-CE2 3.49Å; G237-Y239 PolarHBondContact O-N 3.34Å
238G38.7Very low34.9Very low71 Ų71116.4 Ų116.473%0.73264%0.635SS**THydrogen-bonded Turntrans82.7-1.317800000115.8L236L236-G238 PolarHBondContact O-N 2.93Å
239Y31Very low35Very low143 Ų143118.6 Ų118.656%0.56163%0.63SS**EExtended strand (participates in β ladder)trans-111.2132.6177.8-56.9-80.3000112.1L236 G237L236-Y239 PolarHBondContact N-O 3.22Å; L236-Y239 PolarHBondContact O-N 3.34Å; G237-Y239 VanDerWaalsContact C-N 3.33Å; G237-Y239 WeakPolarHBondContact O-CD2 3.42Å; G237-Y239 WeakPolarHBondContact O-CE2 3.49Å; G237-Y239 PolarHBondContact O-N 3.34Å
240A34.2Very low34.6Very low13 Ų13119.3 Ų119.311%0.10764%0.635CS.*EExtended strand (participates in β ladder)trans-99.1134.7170.200000110.6F235 F242F235-A240 HydrophobicContact CD1-CB 4.08Å; F235-A240 HydrophobicContact CE1-CB 3.72Å; F235-A240 HydrophobicContact CZ-CB 4.48Å; A240-F242 HydrophobicContact CB-CE2 3.86Å; A240-F242 HydrophobicContact CB-CZ 4.1Å
241F37.4Very low34.6Very low92 Ų92119.7 Ų119.740%0.40464%0.637SS.*  trans-111.4122.1-177.5-60.2-83.9000111.9V234 L236V234-F241 PolarHBondContact O-N 3.4Å; L236-F241 HydrophobicContact CB-CE2 4.22Å
242F37.9Very low34.2Very low115 Ų115118 Ų11850%0.50463%0.634SS.*  trans-112.4137.8179.6-59-82.2000111.8F195 A240F195-F242 HydrophobicContact CB-CE2 4.37Å; F195-F242 HydrophobicContact CD2-CD2 4.2Å; F195-F242 HydrophobicContact CD2-CE2 4.09Å; A240-F242 HydrophobicContact CB-CE2 3.86Å; A240-F242 HydrophobicContact CB-CZ 4.1Å
243K35.2Very low34Very low177 Ų177114.4 Ų114.477%0.7763%0.629SS**  trans-113.587.9-179.7-173.1177.2-178.3172.90111.5R245K243-R245 PolarHBondContact O-N 2.86Å
244L33.7Very low33.8Very low135 Ų135120.3 Ų120.371%0.70765%0.646SS**  trans-75.5120.2173.8-78.5158000111.1
245R30.8Very low33.5Very low190 Ų190121.7 Ų121.772%0.71765%0.654SS**  trans-95.7113.4163.4-92-177.9169.5159.6-5.8109.1K243 S247K243-R245 PolarHBondContact O-N 2.86Å; R245-S247 VanDerWaalsContact C-N 3.31Å; R245-S247 PolarHBondContact O-N 3.32Å
246V34.9Very low33.4Very low124 Ų124122.4 Ų122.475%0.75266%0.663SS**  trans-79.983.2168.2-175.80000109.1R248V246-R248 PolarHBondContact O-N 3.45Å; V246-R248 VanDerWaalsContact O-N 3.12Å
247S30.8Very low33.2Very low96 Ų96125.8 Ų125.867%0.67168%0.676SS**  trans-66105.6169.8-670000109.4R245 I249R245-S247 VanDerWaalsContact C-N 3.31Å; R245-S247 PolarHBondContact O-N 3.32Å; S247-I249 PolarHBondContact O-N 3.12Å
248R32Very low33Very low203 Ų203130.9 Ų130.977%0.76668%0.68SS**  trans-68100.3170.6-115.5-166.7-65.8170.60.6108.6V246 S250V246-R248 PolarHBondContact O-N 3.45Å; V246-R248 VanDerWaalsContact O-N 3.12Å; R248-S250 PolarHBondContact O-N 3.06Å; R248-S250 VanDerWaalsContact O-N 3.15Å
249I34.7Very low32.8Very low157 Ų157136.4 Ų136.481%0.80568%0.683SS**  trans-59.3116.8167.1-59.2173.3000106.8S247 S251S247-I249 PolarHBondContact O-N 3.12Å; I249-S251 PolarHBondContact O-N 3.31Å; I249-S251 VanDerWaalsContact O-N 3.08Å
250S28.8Very low32.8Very low97 Ų97133.9 Ų133.968%0.67869%0.687SS**  trans-7599175.556.40000109R248 T252R248-S250 PolarHBondContact O-N 3.06Å; R248-S250 VanDerWaalsContact O-N 3.15Å; S250-T252 PolarHBondContact O-N 3.35Å
251S32.5Very low32.8Very low113 Ų113138.3 Ų138.379%0.7971%0.709SS**  trans-6874.1171.243.40000110.9I249 P253I249-S251 PolarHBondContact O-N 3.31Å; I249-S251 VanDerWaalsContact O-N 3.08Å; S251-P253 WeakPolarHBondContact O-CD 3.33Å
252T32.2Very low32.6Very low108 Ų108143.1 Ų143.166%0.66373%0.729SS**  trans-63.2122.2165.442.40000108.3S250 K254S250-T252 PolarHBondContact O-N 3.35Å; T252-K254 PolarHBondContact O-N 3.35Å; T252-K254 VanDerWaalsContact O-N 3.07Å
253P31.3Very low32.4Very low106 Ų106141.6 Ų141.669%0.68875%0.746SS**  trans-66115.4179.625.6-32.5000108.9S251 T255S251-P253 WeakPolarHBondContact O-CD 3.33Å; P253-T255 PolarHBondContact O-N 3.05Å
254K33.5Very low32.4Very low197 Ų197139.7 Ų139.786%0.85775%0.749SS**  trans-69.583.5170-80-176.1176.2175.40108.9T252 I256T252-K254 PolarHBondContact O-N 3.35Å; T252-K254 VanDerWaalsContact O-N 3.07Å; K254-I256 PolarHBondContact O-N 3.21Å
255T31.3Very low32.3Very low117 Ų117136.9 Ų136.972%0.71874%0.741SS**  trans-62.7101.9170.6-56.20000109P253 Q257P253-T255 PolarHBondContact O-N 3.05Å; T255-Q257 PolarHBondContact O-N 2.94Å
256I32.3Very low32.5Very low149 Ų149136.9 Ų136.976%0.76475%0.746SS**  trans-69.895.4178.2-59.1177.5000108.2K254 Q258K254-I256 PolarHBondContact O-N 3.21Å; I256-Q258 PolarHBondContact O-N 3.4Å
257Q30Very low32.4Very low161 Ų161138.7 Ų138.775%0.75275%0.749SS**  trans-70.482.9169.7-95-73.2-10.500109.6T255 K259T255-Q257 PolarHBondContact O-N 2.94Å; Q257-K259 PolarHBondContact O-N 3.37Å
258Q30.3Very low32.3Very low185 Ų185143.6 Ų143.686%0.86475%0.754SS**  trans-73.268.8176.4-168.6-176.311.300110.7I256I256-Q258 PolarHBondContact O-N 3.4Å
259K33.5Very low32.5Very low187 Ų187140.1 Ų140.181%0.81376%0.755SS**  trans-94.1111.7172.4-166.5167.4-175.2176.50110.6Q257Q257-K259 PolarHBondContact O-N 3.37Å
260S30.7Very low32.5Very low90 Ų90137.1 Ų137.163%0.62975%0.746SS**  trans-73.2163.5-179.2-167.60000113.3
261D34.9Very low32.9Very low106 Ų106141.7 Ų141.757%0.56776%0.756SS**  trans80.596.6158.2-67.2-71.9000121.4
262K34.3Very low32.8Very low193 Ų193141.9 Ų141.984%0.83974%0.744SS**  62.5108.6123.6-63.6165-175.6133.90118.7
263G33.6Very low32.8Very low82 Ų82143.9 Ų143.985%0.84575%0.746SS**  trans-166.770.1171.700000114
264T34.5Very low32.8Very low137 Ų137147.1 Ų147.184%0.8475%0.752SS**  trans-62.3126-166.8-54.70000117.3
265S31.4Very low32.8Very low77 Ų77141.3 Ų141.354%0.53874%0.741SS.*  trans60.6129.3144.1-1630000121.2
266F35.3Very low32.9Very low189 Ų189142 Ų14283%0.82975%0.745SS**  -167.8-177.795.8-107.3-74.3000113.9
267M31.8Very low33.2Very low163 Ų163140.2 Ų140.280%0.80374%0.744SS**  trans-92.2135-154.1-74.617115800116.7
268Y29.2Very low33.4Very low199 Ų199137.9 Ų137.978%0.7874%0.742SS**  39.1113.1108.9-137.8-86000119.9P270Y268-P270 HydrophobicContact CD1-CG 4.47Å; Y268-P270 HydrophobicContact CE1-CG 3.92Å
269V37Very low33.4Very low130 Ų130136.9 Ų136.979%0.78874%0.742SS**  trans-151.2125.9140.2-1760000109.3
270P33.6Very low33.3Very low94 Ų94132.9 Ų132.961%0.6174%0.737SS**  trans-111.6150.9157.736.9-28.5000111.4Y268Y268-P270 HydrophobicContact CD1-CG 4.47Å; Y268-P270 HydrophobicContact CE1-CG 3.92Å
271E36.9Very low33.4Very low193 Ų193134.3 Ų134.390%0.90274%0.744SS**  trans-141.6161.4171.9-148.6164.5132.700110
272E31.8Very low33.1Very low116 Ų116137.5 Ų137.554%0.54276%0.756SS.*  trans-134.7172.2-155.7-149.9-174.2103.700111.8
273Q32.1Very low33Very low151 Ų151136.6 Ų136.671%0.70676%0.755SS**  trans68153.5164.7-70.7156.833.900116.7
274E31.3Very low32.8Very low174 Ų174139.5 Ų139.581%0.81375%0.746SS**  cis-159.7174.9-27.2-159.3179.19800108.7
275A33.4Very low32.9Very low75 Ų75140.1 Ų140.162%0.6274%0.743SS**  trans80.7110.8147.800000121.5
276T32Very low32.9Very low131 Ų131143.9 Ų143.980%0.80475%0.75SS**  trans90.4124.1142.1-24.50000119.6
277P39.4Very low32.8Very low112 Ų112141.3 Ų141.373%0.72774%0.744SS**  trans-83.4-177.7166.640.1-38.5000111
278P35.1Very low33Very low111 Ų111140.6 Ų140.672%0.72174%0.743SS**  cis-143-157.417.845.5-25.1000115.6
279L29.1Very low33.5Very low164 Ų164135.7 Ų135.786%0.85974%0.744SS**  trans78.6140.6163.2-116.369000118.1
280S31.7Very low33.5Very low103 Ų103136.9 Ų136.972%0.7275%0.745SS**  trans-80151.3171.1-1740000110.4
281P33Very low33.8Very low120 Ų120138.1 Ų138.178%0.77975%0.753SS**  -134.8145.912436.9-28.1000113.9
282E29.1Very low34Very low174 Ų174133.6 Ų133.681%0.81374%0.74SS**  trans-65.4140.3152.1-67.5158.856.600109.8
283Q31.9Very low34.4Very low173 Ų173133.3 Ų133.381%0.80875%0.749SS**  178.1146121.5-99.3175-0.800112.1
284E29.5Very low34.7Very low144 Ų144134.1 Ų134.167%0.67376%0.757SS**  trans41.5136.9147.4-58.6-155.8102.300119.9
285I36.1Very low34.9Very low149 Ų149131.6 Ų131.676%0.76475%0.754SS**  -153.7125.974.7-85.1157.4000110.5
286K32.1Very low35.1Very low157 Ų157133.9 Ų133.968%0.68376%0.762SS**  trans36.5136.4137.2-58174.9179.9165.10118.6
287L33.1Very low35.2Very low135 Ų135137.9 Ų137.971%0.70776%0.764SS**  cis-168.5148.424-153.267.1000110.9
288N35.3Very low35.1Very low148 Ų148137.5 Ų137.579%0.79176%0.762SS**  trans64.1137.2161.3-61.1-23.7000118.3
289A40.8Very low34.9Very low96 Ų96137.3 Ų137.379%0.79376%0.763SS**  cis-150.2151-3.600000112.8
290L36.5Very low35Very low155 Ų155137.5 Ų137.581%0.81276%0.759SS**  trans-73.5174.2167.4-77.6117.2000111.2
291P40.2Very low35.1Very low119 Ų119138.2 Ų138.277%0.77376%0.755SS**  cis-142.8161.120.143-24.7000119.5
292P39.8Very low35.4Very low99 Ų99139.7 Ų139.764%0.64376%0.755SS**  trans-97.4-150.7152.536.8-25.4000110.3
293P42Very low35.8Very low110 Ų110136.9 Ų136.971%0.71475%0.752SS**  -106.2-167.9-75.338.6-23.7000111.4
294L37.8Very low35.7Very low167 Ų167133.7 Ų133.787%0.87475%0.748SS**  trans175.1161.7133.3-95.3163.5000112.7
295T35.4Very low36Very low122 Ų122134.8 Ų134.875%0.74875%0.754SS**  trans-95.2162.9179.555.30000111.5
296P37.9Very low35.7Very low123 Ų123135.6 Ų135.680%0.79975%0.751SS**  -152.2178.484.840.1-20000117.5
297Y33.6Very low35.9Very low215 Ų215134.4 Ų134.484%0.84375%0.753SS**  trans-65.6178.8165.2-72.4-100.6000113.4
298P38.3Very low36Very low104 Ų104132.2 Ų132.268%0.67575%0.748SS**  cis-140.3-173.1-44.140.8-23.7000114.4
299S31Very low36Very low107 Ų107131.6 Ų131.675%0.74875%0.75SS**  trans72.8125.1146.7-62.10000123.3
300E30.7Very low35.6Very low168 Ų168131.9 Ų131.979%0.78574%0.742SS**  trans84.8142.9138.7-118.4-179.897.300123.5
301N33.8Very low35.7Very low117 Ų117130.9 Ų130.963%0.62674%0.738SS**  trans71.795159.5-61.3-51000122.2
302I38.1Very low35.6Very low152 Ų152132.1 Ų132.178%0.77973%0.733SS**  31.9132.8104.3-65.8172.7000116.4
303P38.1Very low35.7Very low115 Ų115133.7 Ų133.775%0.74774%0.735SS**  cis-143.317838.726.1-0.2000119.2
304S30.1Very low35.6Very low105 Ų105135.1 Ų135.173%0.73474%0.737SS**  trans11.6150.2137.4-134.10000120.1
305Q34.9Very low35.4Very low168 Ų168134.6 Ų134.679%0.78574%0.735SS**  cis-142.2160.532.2-63167.3-126.600109.9
306K30.5Very low35.3Very low165 Ų165133.3 Ų133.372%0.71774%0.736SS**  cis69.110241.1-166-174.9176.3-176.20116.1
307D36.8Very low35.2Very low133 Ų133134 Ų13471%0.71173%0.733SS**  trans179.6134.2132.4-80.7-23.8000105.9
308S33.6Very low35.3Very low88 Ų88132.1 Ų132.162%0.61574%0.737SS**  cis7997.125.182.90000116.5
309T35.6Very low35Very low136 Ų136132.8 Ų132.883%0.83474%0.744SS**  trans173.7150.1153.9-81.30000109.2
310T33.3Very low35.1Very low102 Ų102131.6 Ų131.663%0.62674%0.736SS**  cis-162.3-177.3-38.6-60.80000105.4
311D37.3Very low35.4Very low133 Ų133131.3 Ų131.371%0.71174%0.738SS**  trans76.2143.5164-51-48.9000116.1
312H38.5Very low35.5Very low145 Ų145132.6 Ų132.667%0.67174%0.744SS**  cis-160.1132.81.6-144.9-133.8000110.7
313L42.5Very low35.2Very low132 Ų132133.6 Ų133.669%0.69174%0.744SS**  trans59152.4155.5-54.9-177.3000118.7
314N39Very low34.9Very low140 Ų140137 Ų13775%0.74975%0.75SS**  cis-148.3168.87.1-115.7-13.2000110.7
315D33.7Very low35Very low157 Ų157138.4 Ų138.484%0.8476%0.755SS**  trans-73174.7-178.3-74-76.2000117
316A34.8Very low34.9Very low94 Ų94134.4 Ų134.478%0.77775%0.745SS**  trans81.985.2155.500000119.3
317D35.1Very low35Very low137 Ų137133.1 Ų133.173%0.73375%0.746SS**  -155.846.7120.1-132.3-25000113.6S320D317-S320 PolarHBondContact OD1-OG 3.05Å
318L36.2Very low34.9Very low177 Ų177136.3 Ų136.393%0.92776%0.759SS**SBendtrans-104.928.8177.4-152.181.1000113
319S31.8Very low34.7Very low118 Ų118141.1 Ų141.183%0.82577%0.772SS**SBendtrans-154.637.2174.960.60000114.9
320S33.4Very low34.5Very low81 Ų81139.1 Ų139.157%0.56676%0.764SS**  trans-131.7136.6153.272.10000107.2D317D317-S320 PolarHBondContact OD1-OG 3.05Å
321I36Very low34.6Very low163 Ų163141.9 Ų141.984%0.83678%0.775SS**SBendcis-121.312119.1-65.1153.5000110.3
322I35.4Very low34.4Very low144 Ų144143 Ų14374%0.73878%0.78SS**  trans-141.5143.9166.2-53.8-178.4000107.8
323H33.3Very low34.2Very low172 Ų172144 Ų14480%0.79679%0.789SS**  trans78.4149.9-175.9-61.5-76.4000117
324Q30.4Very low33.7Very low187 Ų187144.8 Ų144.887%0.87479%0.794SS**  trans64.4125.9-167.3-64-179.8-21.400113.9
325T32.6Very low33.2Very low134 Ų134149 Ų14982%0.82280%0.801SS**  cis-138.3149.84-260000111.1
326S32.4Very low33.1Very low84 Ų84149.7 Ų149.759%0.58780%0.799SS**  trans-79.8-177.6165.648.10000111.2
327D32.5Very low32.9Very low138 Ų138152 Ų15274%0.73880%0.799SS**  trans66.677.7155.5-47.7-47.1000118.5
328M34.6Very low32.8Very low200 Ų200150.3 Ų150.399%0.98580%0.804SS**  -147.699.7116.2-110.4-173.9-170.300111.9
329Q30.4Very low32.5Very low189 Ų189147 Ų14788%0.88380%0.795SS**  trans-99.9115.3175.8173.5-1685.800109.8
330S32.1Very low32.4Very low95 Ų95148 Ų14866%0.66480%0.796SS**  trans-171.8129.1153.557.70000111.8
331N34.4Very low32.4Very low159 Ų159149.5 Ų149.585%0.8580%0.802SS**SBendtrans65.3126168-43.8-39.5000115.2
332L33.3Very low32.1Very low158 Ų158152.1 Ų152.183%0.82780%0.801SS**  cis-146.1112.410.8-153.7169.8000109.6
333L33.7Very low31.8Very low165 Ų165155 Ų15586%0.86481%0.809SS**  trans-117.1113.4170.7-109.8175.2000107.3
334D33.1Very low31.5Very low149 Ų149156.2 Ų156.280%0.79781%0.812SS**  trans-169.590.7163.5-108.1-31.3000110.9
335Y28.7Very low31.6Very low229 Ų229153.7 Ų153.790%0.89881%0.809SS**SBend-176.448.5124.2-136.7-93.7000114
336E31.4Very low31.5Very low171 Ų171153.2 Ų153.280%0.79981%0.808SS**SBendtrans-127.4139.9162.9-161.5-179.5139.300110.1
337N30.5Very low31.5Very low143 Ų143154.7 Ų154.777%0.76582%0.819SS**  trans86.876.7179.9-59.4-71.8000119
338A32.4Very low31.6Very low101 Ų101152.8 Ų152.884%0.83582%0.816SS**  trans-141.7125.8137.800000109.6
339S30.9Very low31.6Very low106 Ų106151.5 Ų151.574%0.74181%0.807SS**  cis-149.9134-2.251.30000111.9
340V29.2Very low31.9Very low141 Ų141150.4 Ų150.486%0.85581%0.808SS**  trans-123.570.7174.4-175.40000110.1
341T33.3Very low31.7Very low111 Ų111151.2 Ų151.268%0.68181%0.813SS**  trans-150.7108.9171.821.70000109
342R30.2Very low31.6Very low219 Ų219152.1 Ų152.183%0.82682%0.817SS**  92.979.475.9-172.1-167.8-75.8178-3.9113.1
343F28.5Very low31.4Very low204 Ų204151.9 Ų151.990%0.89581%0.812SS**  trans-133.497.1150.5-87.7-89.4000106.8
344K28Very low31.3Very low197 Ų197153.9 Ų153.986%0.85781%0.814SS**  72.579.367.5-162.8178-174.9178.30112.5
345T32.1Very low31.2Very low135 Ų135150.6 Ų150.683%0.82880%0.803SS**  trans-119.1145.7160.139.20000109.4
346P29.4Very low31.4Very low123 Ų123146.3 Ų146.380%0.79980%0.803SS**  trans-95.1140.5-172.135.3-33.1000113.1
347S32.7Very low31.5Very low116 Ų116142.4 Ų142.481%0.81180%0.8SS**  -174154.310755.20000112.3
348S34.7Very low31.8Very low98 Ų98143.2 Ų143.269%0.68580%0.804SS**  trans-54.6141.5179.748.10000116.1
349H35.5Very low32Very low172 Ų172146.8 Ų146.880%0.79681%0.808SS**  trans29.6114.8136.4-57.1-92.2000118.8
350N35.6Very low32.3Very low166 Ų166145.6 Ų145.689%0.88880%0.8SS**  -155145.492.8-97.9-28.6000112
351S29.2Very low32.6Very low112 Ų112144.4 Ų144.478%0.78380%0.798SS**  trans-97.9132.6-171.952.40000112.5
352L30.5Very low32.9Very low179 Ų179146.5 Ų146.594%0.93780%0.8SS**  trans-131.5143149.3-94172.7000109.4
353H30.3Very low33.4Very low152 Ų152140.3 Ų140.370%0.70479%0.79SS**  trans-113.1124-159.7164.4-76.2000111.1S355H353-S355 PolarHBondContact CE1-OG 3.08Å
354F30.4Very low33.9Very low207 Ų207137.6 Ų137.691%0.90878%0.784SS**  trans-133.6121170.2-90.8-81.2000111.1
355S31.1Very low34.4Very low81 Ų81135.5 Ų135.557%0.56678%0.779SS**  trans-83.5153.9176.9-52.80000111.8H353 A357H353-S355 PolarHBondContact CE1-OG 3.08Å; S355-A357 PolarHBondContact O-N 3.35Å
356P32.8Very low34.8Very low139 Ų139132 Ų13290%0.90376%0.764SS**SBendtrans-85100.1-168.932.4-34.9000113.2
357A35.2Very low35.2Very low89 Ų89130 Ų13074%0.73675%0.753SS**  trans-153.952.5174.400000114.6S355S355-A357 PolarHBondContact O-N 3.35Å
358N35.4Very low35.4Very low159 Ų159131.6 Ų131.685%0.8575%0.751SS**  trans-170.894.5158.7-102-33000111.9
359L36.9Very low35.6Very low176 Ų176132 Ų13292%0.92176%0.755SS**  trans-128.676.7169.3-81.7169.7000109.6
360S36.9Very low35.7Very low82 Ų82129.2 Ų129.257%0.57375%0.75SS**  trans-75.3142.9172179.80000111Q362S360-Q362 PolarHBondContact O-N 3.48Å
361S35Very low35.8Very low115 Ų115129.7 Ų129.780%0.80475%0.747SS**THydrogen-bonded Turntrans-67.914.3-168.6-48.90000116.5
362Q40.8Very low36Very low156 Ų156131.2 Ų131.273%0.72975%0.751SS**THydrogen-bonded Turntrans-94.6-27.8-177.4-67.3177.5-13.500113.5S360 L364 M365S360-Q362 PolarHBondContact O-N 3.48Å; Q362-L364 PolarHBondContact O-N 3Å; Q362-M365 PolarHBondContact O-N 3.36Å
363S40.8Very low36.1Very low89 Ų89130.6 Ų130.662%0.62275%0.747SS**Hα-helixtrans-64.8-35.9-173.5177.60000114M365 A366S363-M365 PolarHBondContact O-N 3.01Å; S363-A366 PolarHBondContact O-N 3.2Å
364L38.7Very low36.2Very low146 Ų146132.7 Ų132.776%0.76476%0.758SS**Hα-helixtrans-74.7-20.9-176.9-81.7166.3000114.3Q362Q362-L364 PolarHBondContact O-N 3Å
365M38.9Very low36.3Very low154 Ų154133.9 Ų133.976%0.75976%0.758SS**Hα-helixtrans-80.1-30.1173.1-69.6-65.2-74.600111.9Q362 S363Q362-M365 PolarHBondContact O-N 3.36Å; S363-M365 PolarHBondContact O-N 3.01Å
366A40.7Very low36.2Very low62 Ų62137.5 Ų137.551%0.51276%0.763SS.*Hα-helixtrans-67.4-36.2177.500000112.6S363 L368 S369 T370S363-A366 PolarHBondContact O-N 3.2Å; A366-L368 VanDerWaalsContact C-N 3.31Å; A366-L368 PolarHBondContact O-N 3.29Å; A366-S369 PolarHBondContact O-N 3.06Å; A366-T370 PolarHBondContact O-OG1 3.29Å
367S37Very low36.4Very low79 Ų79139.2 Ų139.255%0.55276%0.759SS**THydrogen-bonded Turntrans-73.6-11-171.1-170.50000115.7
368L37.9Very low36.4Very low150 Ų150140.4 Ų140.479%0.78576%0.76SS**THydrogen-bonded Turntrans-98.7-13176.7-85.778.5000113.4A366 T370A366-L368 VanDerWaalsContact C-N 3.31Å; A366-L368 PolarHBondContact O-N 3.29Å; L368-T370 VanDerWaalsContact C-N 3.3Å; L368-T370 PolarHBondContact O-N 2.99Å
369S38.4Very low36.3Very low108 Ų108137.4 Ų137.476%0.75575%0.751SS**SBendtrans-86.612.2-179-620000114.4A366A366-S369 PolarHBondContact O-N 3.06Å
370T38.2Very low36.1Very low112 Ų112139.3 Ų139.369%0.68775%0.752SS**SBendtrans-131.521.3-164.8-20.90000115.6A366 L368A366-T370 PolarHBondContact O-OG1 3.29Å; L368-T370 VanDerWaalsContact C-N 3.3Å; L368-T370 PolarHBondContact O-N 2.99Å
371Q35.9Very low35.9Very low177 Ų177143 Ų14383%0.82776%0.76SS**SBendtrans-121.39.1178-69.4-163.333.300116.1
372V34.1Very low35.9Very low144 Ų144144.6 Ų144.687%0.87376%0.758SS**SBendtrans-123.553.7172.2-165.10000110.7
373L32.5Very low35.5Very low165 Ų165141.4 Ų141.486%0.86475%0.753SS**  trans-156.257.4171.1-117.6169.6000113
374Q32.7Very low34.9Very low197 Ų197144.7 Ų144.792%0.92176%0.758SS**  trans-128.483.7158-82.4-151-31.400111
375Y31.7Very low34.7Very low231 Ų231143.5 Ų143.591%0.90676%0.762SS**  trans-124.3141.9150.1-129.1-98.8000109.9Q377Y375-Q377 PolarHBondContact O-N 3.32Å
376K30.7Very low34.4Very low157 Ų157145 Ų14568%0.68376%0.761SS**  trans-87.897.4-161.2-174.1-178.8177.4-1740111P378K376-P378 WeakPolarHBondContact O-CD 3.37Å
377Q35.7Very low34.1Very low175 Ų175149 Ų14982%0.81877%0.774SS**PPolyproline II helixtrans-59.9127.1178-176.2176.2-4.800112.1Y375Y375-Q377 PolarHBondContact O-N 3.32Å
378P36.2Very low34.1Very low115 Ų115153.3 Ų153.375%0.74779%0.79SS**PPolyproline II helixtrans-74.6136.9165.8-12.629.2000110.5K376K376-P378 WeakPolarHBondContact O-CD 3.37Å
379S33.6Very low34Very low95 Ų95153.7 Ų153.766%0.66479%0.791SS**PPolyproline II helixtrans-92.6129.2-178.755.10000112.9
380F32Very low33.8Very low216 Ų216153.1 Ų153.195%0.94779%0.787SS**  trans-126.6159.5148.9-87.6-86000108.6
381H33.2Very low33.5Very low159 Ų159154.3 Ų154.374%0.73679%0.785SS**  trans-144155.2-152.4-122.8-81.3000111.5
382I33.5Very low33.3Very low149 Ų149154.6 Ų154.676%0.76478%0.779SS**  trans71.9134.7157.9-64.8159.3000114.9
383S32.3Very low33.4Very low90 Ų90155.6 Ų155.663%0.62977%0.773SS**  cis-148.1138.1-12.6-106.70000107.7
384Q30.1Very low33.6Very low157 Ų157155 Ų15573%0.73477%0.769SS**  55.3101.681.2-88.2-164.8-13.900116.8Y386Q384-Y386 HydrophobicContact CG-CE2 4.31Å
385S34.1Very low33.8Very low121 Ų121151 Ų15185%0.84676%0.763SS**  trans-147.7147.1136.855.80000108.3
386Y31.2Very low34Very low185 Ų185147.9 Ų147.973%0.72576%0.757SS**  trans-113.4-174.1-169.5-90.8-92.9000112.5Q384Q384-Y386 HydrophobicContact CG-CE2 4.31Å
387D34.7Very low34.3Very low147 Ų147145.8 Ų145.879%0.78675%0.753SS**  trans76.9127.5161.8-46.3-46.7000115.2
388L38.3Very low34.3Very low170 Ų170144.6 Ų144.689%0.8975%0.751SS**  cis-141.3178.735.7-93163.8000115.1
389I33.9Very low34.3Very low157 Ų157143.9 Ų143.981%0.80575%0.746SS**  trans-102.5173.9177.2-64.6166.1000109.6
390S34.3Very low34.2Very low96 Ų96147.5 Ų147.567%0.67175%0.75SS**  trans86145.7170.5-60.30000116.5
391E33Very low34.2Very low138 Ų138143.5 Ų143.565%0.64574%0.735SS**  cis-162.3144.5-9.4-112.6-178.2165.800111.5
392Y31.9Very low34.2Very low182 Ų182141.5 Ų141.571%0.71473%0.729SS**  trans58.1-171.5151.5-66.6-149.2000115.5
393F35.1Very low34.2Very low166 Ų166141.5 Ų141.573%0.72873%0.731SS**  cis-136.5134-3.2-99.7-83.8000105.4
394L37.6Very low34.2Very low151 Ų151145.1 Ų145.179%0.79174%0.738SS**  47.5124.463.6-15379.8000116.8
395S36.9Very low34.4Very low114 Ų114142.9 Ų142.980%0.79774%0.739SS**  trans104.5135.7160.3-580000117.7
396E35.8Very low34.4Very low166 Ų166145.3 Ų145.378%0.77674%0.737SS**  trans-124.5145.9173.9-140.7-174.2109.200108.6
397N36.6Very low34.8Very low112 Ų112142.6 Ų142.660%0.59974%0.735SS**  trans62.499.9160-53.9-33000120.8
398I36.8Very low34.8Very low150 Ų150140.9 Ų140.977%0.76973%0.73SS**  64.8137.8105.7-72.9164.6000119.1
399P35.4Very low34.9Very low100 Ų100138 Ų13865%0.64972%0.722SS**  cis-143.8-148.5-18.739-15.4000114.5
400F32.4Very low35Very low172 Ų172135.3 Ų135.375%0.75472%0.717SS**  trans88.684.7168.4-76.1-75.5000121.5
401Q32.1Very low35.1Very low132 Ų132138 Ų13862%0.61772%0.719SS**  66.5131.3104-166.9169.1-2.300123.2
402D31.7Very low35.2Very low117 Ų117140.5 Ų140.563%0.62672%0.724SS**  trans53.7142.9157.2-64.6-32.6000120.2
403N33.3Very low35.3Very low149 Ų149137.6 Ų137.680%0.79773%0.725SS**  cis-154.8-179.840.7-140.3-47.5000114.9
404Q32.7Very low35.5Very low166 Ų166134.7 Ų134.778%0.77672%0.723SS**  trans-96.6153.2-169.3-52.5175.826.900116
405S35.4Very low35.1Very low109 Ų109132 Ų13276%0.76272%0.716SS**  trans-167122.4141.4-7.10000108.8
406Q34.2Very low34.9Very low172 Ų172134.4 Ų134.480%0.80472%0.715SS**  56.812687.3-72.8179.2-23.100113.8
407D38.9Very low34.6Very low128 Ų128132.1 Ų132.168%0.68471%0.708SS**  cis-150.4134.126.8-101.5-53.8000116.2
408T34.3Very low34.7Very low111 Ų111133.7 Ų133.768%0.68172%0.715SS**  36.6147.9106.6-27.20000120.4
409P40.8Very low34.6Very low109 Ų109133.3 Ų133.371%0.70871%0.71SS**  cis-141.8-157.9-32.442.2-23.5000115.3
410S35.4Very low34.4Very low101 Ų101135.7 Ų135.771%0.70671%0.711SS**  trans100146.6150.7850000118.1
411Q36Very low34.3Very low152 Ų152134.2 Ų134.271%0.7171%0.706SS**  cis-162.3161.5-4.9-127.7171.217.300114.5
412Y36.5Very low34.3Very low192 Ų192133.5 Ų133.575%0.75371%0.706SS**  trans70.7113.6153.9-73.8-61.2000125.8
413T34Very low34.1Very low121 Ų121134.7 Ų134.774%0.74271%0.71SS**  trans-60.9-169.8147.623.80000115.5
414P38.7Very low34Very low104 Ų104135 Ų13568%0.67571%0.711SS**  cis-143.6-177.2-20.732.8-10.1000117.6
415S29.2Very low34.1Very low94 Ų94131.1 Ų131.166%0.65771%0.707SS**  trans76.1145.2132.1-86.50000126.8
416Q32.1Very low33.9Very low165 Ų165133.6 Ų133.677%0.77171%0.707SS**  trans74.9154140.4-77.5166.6-54.500119.2
417D31.1Very low33.7Very low118 Ų118131.1 Ų131.163%0.63170%0.699SS**  cis-160.4-178.26.1-138.5-44.7000113
418I38.6Very low33.6Very low145 Ų145131.8 Ų131.874%0.74470%0.701SS**  trans70.2145.8151.1-70.5159.1000119
419Q34.4Very low33.4Very low142 Ų142130.5 Ų130.566%0.66470%0.697SS**  cis-169.8148.1-30.7-109.2-149.8-1000111.6
420F31.4Very low33.1Very low151 Ų151133.2 Ų133.266%0.66270%0.697SS**  trans62.8113.8134-79.8-129.2000124.5
421Q29.4Very low32.9Very low140 Ų140135.3 Ų135.365%0.65470%0.696SS**  88.8123.9103-170.7157.823.100123.1
422D32.4Very low32.6Very low117 Ų117134.2 Ų134.263%0.62669%0.691SS**  120.8147126-106.23000124.1
423M28.4Very low32.6Very low142 Ų142132.1 Ų132.170%0.769%0.691SS**  trans80.196.8147.8-76.5-176.4-78.800123.5
424L31.2Very low32.4Very low156 Ų156133.3 Ų133.382%0.81769%0.688SS**  82.6146.8113.9-73172.2000123
425A32.9Very low32Very low84 Ų84132.7 Ų132.769%0.69469%0.686SS**  trans75.5141.2144.800000120.3
426Q31.3Very low32Very low162 Ų162135.9 Ų135.976%0.75769%0.691SS**  cis-167.2147.9-25.2-140.6175.5-59.700112
427D31.8Very low32Very low120 Ų120135.8 Ų135.864%0.64269%0.691SS**  trans71.4152.3138.2-104.9-38.4000125.8
428I36Very low31.9Very low142 Ų142135.1 Ų135.173%0.72870%0.695SS**  trans73.3143.3149.3-71.5160.1000120.5
429S29.8Very low32Very low84 Ų84133.2 Ų133.259%0.58769%0.692SS**  cis-172.3-161.6-48.165.20000109.9
430F34.4Very low31.8Very low165 Ų165132.3 Ų132.372%0.72469%0.692SS**  trans77.3108.9178.9-56.8-77.3000115.8
431Q31.3Very low31.9Very low146 Ų146131.9 Ų131.968%0.68269%0.692SS**  81.411462.4-75.3-171-77.700113
432E29.8Very low32.1Very low128 Ų128131.1 Ų131.160%0.59869%0.693SS**  87.7119.279.1-153.2-171.2145.300110.1
433I37.2Very low32.3Very low149 Ų149131.4 Ų131.476%0.76470%0.698SS**  174.9155.493.4-83168.2000105.9
434Q28.4Very low32.6Very low145 Ų145131.8 Ų131.868%0.67870%0.702SS**  cis-179.1161-29.9-162.6175.57400106.9
435S31Very low32.5Very low91 Ų91134.5 Ų134.564%0.63670%0.703SS**  trans69.8130.4164.9-51.30000118.1
436Q28.6Very low32.5Very low162 Ų162139.6 Ų139.676%0.75771%0.713SS**  cis84.8107.735.3-173.6-173.9-2000113.7
437E31.9Very low32.3Very low162 Ų162140 Ų14076%0.75771%0.714SS**  -174.716897.2-160.2131.811400111.2
438S30.2Very low32.4Very low105 Ų105140.5 Ų140.573%0.73472%0.722SS**  trans-120.5-159.3179.7-35.80000109.4
439P39.3Very low32.4Very low104 Ų104139.4 Ų139.468%0.67572%0.724SS**  cis-132-159.7-33.332.2-10.4000112.1
440N31.8Very low32.7Very low123 Ų123141.2 Ų141.266%0.65873%0.734SS**  trans99.4117.7139.7-8110000123.5
441Q33.3Very low32.6Very low143 Ų143142.8 Ų142.867%0.66874%0.744SS**  94.7112.8121.4-75.1-177.3-86.700122.5
442D32.8Very low32.7Very low124 Ų124144 Ų14466%0.66375%0.749SS**  91.8118.6114.5-68.9-4.2000123.4
443V36.8Very low32.8Very low122 Ų122144 Ų14474%0.73976%0.758SS**  114123114.6153.90000121.1
444L34Very low32.8Very low150 Ų150142.1 Ų142.179%0.78576%0.756SS**  trans100.6138.6148.7-126.865.4000122.7
445Y30.4Very low32.8Very low213 Ų213140.2 Ų140.284%0.83576%0.759SS**  trans-84.7165.2174.5-51.6-104000111.6
446Q32Very low32.7Very low192 Ų192145 Ų14590%0.89777%0.771SS**  -179.3175.799.4-154.6148.716.900111.3
447E28.3Very low33Very low170 Ų170140.4 Ų140.479%0.79477%0.767SS**  trans-103.1-166.7-158.8-55.4-175.485.800116.8
448T32.2Very low33.1Very low131 Ų131139.1 Ų139.180%0.80477%0.77SS**  trans88.5147.5159.637.60000118.9
449P36.3Very low33.2Very low118 Ų118139.6 Ų139.677%0.76677%0.771SS**  -131.3-143-123.238-14.4000114.6
450P36.5Very low32.9Very low123 Ų123145.3 Ų145.380%0.79978%0.781SS**  -101.9159.3-113.739.2-26.2000115.6
451Q32.7Very low33Very low198 Ų198148 Ų14893%0.92579%0.789SS**  trans-147158.7157.1-154.3168.211.800110.8
452E33.8Very low33.1Very low170 Ų170148.6 Ų148.679%0.79480%0.797SS**  trans-97.1158.2-154.8-49.9179.698.600116.6
453T32.3Very low33.3Very low128 Ų128149.9 Ų149.979%0.78580%0.803SS**  trans67.6155.1153.257.70000120.4
454P36.3Very low33.3Very low111 Ų111149.2 Ų149.272%0.72180%0.801SS**  cis-140171.2-36.137.6-21.8000115.2
455S29Very low33.3Very low105 Ų105153.1 Ų153.173%0.73481%0.807SS**  trans69.4102.2147.1-172.20000119.9
456Q29.1Very low33.4Very low191 Ų191150.9 Ų150.989%0.89381%0.805SS**  176149.3113-82.3-117.3-12.500111.9
457G33.5Very low33.3Very low66 Ų66147.1 Ų147.168%0.6879%0.794SS**  trans82154.8-17900000114.1
458T34.5Very low33.6Very low134 Ų134146 Ų14682%0.82279%0.793SS**  cis-154.6156.6-9.67.30000108.2
459P33.4Very low33.5Very low116 Ų116143.4 Ų143.475%0.75377%0.774SS**  trans-78.5138-168.231.5-34.7000113.4
460Y32.4Very low33.5Very low223 Ų223143.7 Ų143.788%0.87577%0.768SS**  trans-85.3148.6160.3-97.5-96.9000110.5
461Q33.8Very low33.1Very low180 Ų180143.5 Ų143.584%0.84175%0.754SS**  trans-114.2102.3174.7-63.8179.9-82.200108.8
462D34.7Very low33.1Very low156 Ų156141 Ų14183%0.83475%0.747SS**PPolyproline II helixtrans-71.1143.2170.3-78.7-55.9000111.3
463L37.2Very low33Very low151 Ų151138.7 Ų138.779%0.79175%0.745SS**PPolyproline II helixtrans-70.8140.6-174.1-88.762.6000111.2Y465L463-Y465 PolarHBondContact O-N 3.05Å
464P36.9Very low32.8Very low108 Ų108136.5 Ų136.570%0.70174%0.735SS**PPolyproline II helixtrans-69.5128.5175.828.7-33.7000110.7Q466P464-Q466 VanDerWaalsContact C-N 3.26Å; P464-Q466 PolarHBondContact O-N 2.97Å
465Y33.4Very low33Very low231 Ų231137.6 Ų137.691%0.90674%0.742SS**  trans-62.786.8164.4-90.2-94000110.1L463 V467L463-Y465 PolarHBondContact O-N 3.05Å; Y465-V467 PolarHBondContact O-N 3.13Å
466Q33.4Very low33.1Very low167 Ų167141 Ų14178%0.7875%0.746SS**  trans-69.3110.8163.1-74.9-74.320.300107.8P464 L468P464-Q466 VanDerWaalsContact C-N 3.26Å; P464-Q466 PolarHBondContact O-N 2.97Å; Q466-L468 PolarHBondContact O-N 2.87Å
467V30.6Very low33.3Very low113 Ų113135.5 Ų135.569%0.68574%0.741SS**  trans-64.299176.2178.80000107.9Y465 L469Y465-V467 PolarHBondContact O-N 3.13Å; V467-L469 HydrophobicContact CG1-CD2 3.89Å; V467-L469 HydrophobicContact CG1-CG 4.16Å; V467-L469 PolarHBondContact O-N 3.43Å
468L33.4Very low33.4Very low145 Ų145138.4 Ų138.476%0.75975%0.746SS**  trans-75.887.8177.4-151.8162.3000108.1Q466 I470Q466-L468 PolarHBondContact O-N 2.87Å; L468-I470 HydrophobicContact CD2-CD1 4.33Å; L468-I470 HydrophobicContact CD2-CG1 3.79Å; L468-I470 PolarHBondContact O-N 3.32Å
469L29.8Very low33.4Very low77 Ų77138 Ų13840%0.40375%0.745SS.*  trans-59.795179.5-73.5174000110.2V467 F1028V467-L469 HydrophobicContact CG1-CD2 3.89Å; V467-L469 HydrophobicContact CG1-CG 4.16Å; V467-L469 PolarHBondContact O-N 3.43Å; L469-F1028 HydrophobicContact CB-CD1 4.22Å; L469-F1028 HydrophobicContact CB-CD2 3.85Å; L469-F1028 HydrophobicContact CB-CE1 3.79Å; L469-F1028 HydrophobicContact CB-CE2 3.43Å; L469-F1028 VanDerWaalsContact CB-CE2 3.43Å; L469-F1028 HydrophobicContact CB-CG 4.29Å; L469-F1028 HydrophobicContact CB-CZ 3.41Å; L469-F1028 VanDerWaalsContact CB-CZ 3.41Å; L469-F1028 HydrophobicContact CD1-CD1 4.33Å; L469-F1028 HydrophobicContact CD1-CD2 4.2Å; L469-F1028 HydrophobicContact CD1-CG 4.14Å; L469-F1028 HydrophobicContact CD2-CD1 4.02Å; L469-F1028 HydrophobicContact CD2-CE1 3.88Å; L469-F1028 HydrophobicContact CD2-CZ 4.39Å; L469-F1028 HydrophobicContact CG-CD1 4.44Å; L469-F1028 HydrophobicContact CG-CE1 4.32Å; L469-F1028 HydrophobicContact CG-CZ 4.4Å; L469-F1028 WeakPolarHBondContact O-CE2 3.48Å; L469-F1028 WeakPolarHBondContact O-CZ 3.31Å
470I36Very low33.4Very low125 Ų125141.1 Ų141.164%0.64174%0.743SS**  trans-95.3123.2170.4-63.1175.6000109L468 D472L468-I470 HydrophobicContact CD2-CD1 4.33Å; L468-I470 HydrophobicContact CD2-CG1 3.79Å; L468-I470 PolarHBondContact O-N 3.32Å; I470-D472 HydrophobicContact CG2-CB 4.24Å; I470-D472 VanDerWaalsContact CG2-OD2 3.3Å; I470-D472 WeakPolarHBondContact CG2-OD2 2.98Å
471K28.4Very low33.5Very low118 Ų118139 Ų13951%0.51374%0.741SS.*  trans-127.872.2174.1-178.9-158.4175.3177.30107.5Q1026 S1027 F1028K471-Q1026 PolarHBondContact NZ-O 3.48Å; K471-S1027 VanDerWaalsContact CD-CB 3.49Å; K471-F1028 HydrophobicContact CB-CE1 3.79Å; K471-F1028 HydrophobicContact CB-CE2 3.99Å; K471-F1028 HydrophobicContact CB-CZ 3.34Å
472D32.9Very low33.5Very low146 Ų146139.7 Ų139.778%0.78174%0.737SS**  trans-96.9133.8177.6-79.8-56.4000112.4I470I470-D472 HydrophobicContact CG2-CB 4.24Å; I470-D472 VanDerWaalsContact CG2-OD2 3.3Å; I470-D472 WeakPolarHBondContact CG2-OD2 2.98Å
473T31.1Very low33.7Very low122 Ų122139.3 Ų139.375%0.74873%0.734SS**  trans-88.8142.5-173.8-59.80000109.4
474S28.4Very low33.4Very low81 Ų81139.4 Ų139.457%0.56673%0.734SS**  trans7.9115.9162.5-171.50000118.1Q476S474-Q476 PolarHBondContact O-N 2.98Å
475P41Very low33.3Very low135 Ų135140 Ų14088%0.87774%0.736SS**  trans-73.393.7158.131-31.7000109.5
476Q31.9Very low33.3Very low176 Ų176137.2 Ų137.282%0.82273%0.728SS**  trans-82.9133.6160.5-72.7-166.50.900110S474S474-Q476 PolarHBondContact O-N 2.98Å
477G32.9Very low33.4Very low75 Ų75137.7 Ų137.777%0.77373%0.731SS**  trans66.874.3150.900000118.2
478T35.7Very low33.8Very low128 Ų128138.1 Ų138.179%0.78573%0.728SS**  trans-122.8136144.849.80000109.5
479P34.5Very low33.7Very low124 Ų124137 Ų13781%0.80573%0.729SS**  trans-80.6132.9-174.430.8-33.6000111.5Q481P479-Q481 PolarHBondContact O-N 2.94Å; P479-Q481 VanDerWaalsContact O-N 3.09Å
480Y32.2Very low33.9Very low182 Ų182141.9 Ų141.971%0.71475%0.747SS**  trans-71101.7171-84.2-93.9000110.4Y482Y480-Y482 VanDerWaalsContact C-N 3.29Å; Y480-Y482 PolarHBondContact O-N 3.25Å
481Q34.5Very low33.7Very low179 Ų179144.3 Ų144.384%0.83676%0.756SS**  trans-65.490.3158-93.1-82.4-7.800108.6P479 I483P479-Q481 PolarHBondContact O-N 2.94Å; P479-Q481 VanDerWaalsContact O-N 3.09Å; Q481-I483 PolarHBondContact O-N 2.88Å
482Y35.3Very low33.9Very low195 Ų195146.7 Ų146.777%0.76577%0.769SS**  trans-69.1113.4167.3-94.4-92.3000108.8Y480 L484Y480-Y482 VanDerWaalsContact C-N 3.29Å; Y480-Y482 PolarHBondContact O-N 3.25Å; Y482-L484 PolarHBondContact O-N 2.97Å; Y482-L484 VanDerWaalsContact O-N 3.11Å
483I37.9Very low33.7Very low148 Ų148145.8 Ų145.876%0.75977%0.769SS**  trans-64.6112.5167-67.1172.3000107.1Q481 T485Q481-I483 PolarHBondContact O-N 2.88Å; I483-T485 VanDerWaalsContact C-N 3.3Å; I483-T485 PolarHBondContact O-N 3.01Å
484L31.7Very low33.8Very low153 Ų153145.7 Ų145.780%0.80177%0.771SS**  trans-76.577.8-176.4-174.974.1000110.7Y482 K486Y482-L484 PolarHBondContact O-N 2.97Å; Y482-L484 VanDerWaalsContact O-N 3.11Å; L484-K486 PolarHBondContact O-N 2.67Å; L484-K486 VanDerWaalsContact O-N 3.11Å
485T34.8Very low33.9Very low119 Ų119147.2 Ų147.273%0.7378%0.781SS**  trans-70.5103166-47.40000108.4I483 E487I483-T485 VanDerWaalsContact C-N 3.3Å; I483-T485 PolarHBondContact O-N 3.01Å; T485-E487 PolarHBondContact O-N 3.36Å; T485-E487 VanDerWaalsContact O-N 3.11Å
486K33Very low33.4Very low173 Ų173150.3 Ų150.375%0.75278%0.784SS**  trans-62.6108.1169.2-78.5-174.3173-173.80109.2L484L484-K486 PolarHBondContact O-N 2.67Å; L484-K486 VanDerWaalsContact O-N 3.11Å
487E34.3Very low33.3Very low178 Ų178145.6 Ų145.683%0.83278%0.782SS**  trans-77128.1150.4-72.9-170.7155.700107.9T485T485-E487 PolarHBondContact O-N 3.36Å; T485-E487 VanDerWaalsContact O-N 3.11Å
488I40.1Very low33.1Very low122 Ų122148.5 Ų148.563%0.62679%0.786SS**  trans-86.9135.7-170.9-64.4172000108.7F490I488-F490 HydrophobicContact CG2-CE2 4.45Å; I488-F490 PolarHBondContact O-N 3.16Å; I488-F490 VanDerWaalsContact O-N 3.09Å
489P32.2Very low32.9Very low120 Ų120149.4 Ų149.478%0.77979%0.785SS**  trans-72104.8178.729.5-34.3000110.6Q491P489-Q491 PolarHBondContact O-N 3.07Å; P489-Q491 VanDerWaalsContact O-N 3.12Å
490F34Very low32.6Very low180 Ų180147.9 Ų147.979%0.78978%0.777SS**  trans-77.799173.2-94.8-88.3000111.4I488I488-F490 HydrophobicContact CG2-CE2 4.45Å; I488-F490 PolarHBondContact O-N 3.16Å; I488-F490 VanDerWaalsContact O-N 3.09Å
491Q30.6Very low32.3Very low176 Ų176146.5 Ų146.582%0.82278%0.777SS**  trans-90.6115167.6175.6-176.89.700108.6P489P489-Q491 PolarHBondContact O-N 3.07Å; P489-Q491 VanDerWaalsContact O-N 3.12Å
492E33.2Very low31.9Very low169 Ų169145.7 Ų145.779%0.7977%0.773SS**  trans-117.8128.4171-70.6-141.7143.400112.1
493T28.7Very low31.6Very low126 Ų126141 Ų14177%0.77377%0.769SS**  trans-168.4152.3163.27.50000107.2
494P33.6Very low31.5Very low121 Ų121138.8 Ų138.879%0.78676%0.764SS**  -136152.6-113.137.9-21.4000116.8
495S30.3Very low31.4Very low112 Ų112136.1 Ų136.178%0.78376%0.759SS**  trans-168.3119.2156.753.80000116
496Q29.4Very low30.9Very low200 Ų200138.4 Ų138.494%0.93576%0.761SS**  trans39.1136.6139.1-51.8-172.9800122.6
497G31.2Very low30.6Very low77 Ų77140.5 Ų140.579%0.79476%0.764SS**  trans165.969.8162.400000119.2
498T28.3Very low30.2Very low137 Ų137138.3 Ų138.384%0.8476%0.763SS**  trans-17.3119.2159.9-50.30000116.1
499L30.4Very low29.5Very low147 Ų147139.9 Ų139.977%0.7777%0.772SS**  74.511152-157.2-167.4000114.7
500S28Very low29.2Very low91 Ų91138.8 Ų138.864%0.63677%0.767SS**  trans-174.7134.9144.9-110.50000115.9
501Q27.2Very low28.8Very low154 Ų154139.9 Ų139.972%0.7277%0.772SS**  trans60.5151.1143.5-67.2174.1-89.300120.3
502E26.5Very low28.8Very low161 Ų161135.3 Ų135.375%0.75277%0.772SS**  cis-151.5179.9-6.3-134.4175.2119.400113.9
503S28.4Very low28.6Very low97 Ų97133.8 Ų133.868%0.67877%0.774SS**  trans-152.9169.8166.8-139.70000106.5
504P35Very low28.8Very low101 Ų101133.2 Ų133.266%0.65677%0.773SS**  cis-143.5179.4939.3-18000116.6
505S29.8Very low28.4Very low98 Ų98131.9 Ų131.969%0.68577%0.766SS**  trans45.3129.5143.267.50000122.5
506Q25.6Very low28.3Very low167 Ų167134.9 Ų134.978%0.7877%0.768SS**  -175.1162.7108.9-98.9-166.5-88.100113.3
507W25.3Very low28.5Very low216 Ų216128.4 Ų128.482%0.81876%0.755SS**  trans-25.1156.7169-40.574000117
508T26.8Very low28.6Very low132 Ų132131.7 Ų131.781%0.8176%0.76SS**  cis-168.4152.849.9-40.70000114.9
509L24.9Very low28.9Very low156 Ų156130 Ų13082%0.81775%0.753SS**  trans-54.4131.9166.317379.3000115.3
510S25.9Very low29.3Very low97 Ų97128.3 Ų128.368%0.67875%0.751SS**  177.4126.9128.1-850000118.1
511K26.4Very low29.5Very low202 Ų202133.3 Ų133.388%0.87876%0.762SS**  trans39.5126.7138-57.3-175.2178.2-177.50121.5
512G29.6Very low30Very low81 Ų81129.9 Ų129.984%0.83577%0.767SS**  trans-166.733173.500000120.4
513T28.7Very low30.2Very low136 Ų136128.2 Ų128.283%0.83477%0.768SS**  trans-62.6163.3166.839.40000113.6
514P32.7Very low30.6Very low115 Ų115128.7 Ų128.775%0.74777%0.77SS**  cis-142.6-177.7-6.541.2-22.7000116.8
515S26Very low30.7Very low92 Ų92128.4 Ų128.464%0.64377%0.77SS**  trans62.4141.2138.4-165.60000122.1
516Q29.1Very low30.8Very low176 Ų176132.1 Ų132.182%0.82278%0.776SS**  167.4135.4111-85.6-64.5-2.100113.3
517G32.5Very low31.3Very low64 Ų64129.8 Ų129.866%0.6677%0.773SS**  trans74.1149.9158.700000118.6
518T33.5Very low31.5Very low146 Ų146125.4 Ų125.490%0.89677%0.771SS**  cis-152.7145.8-11.6-34.30000110.6
519S34.4Very low32.3Very low100 Ų100124.8 Ų124.870%0.69977%0.769SS**  trans-91.1170.4178.7-167.80000112.2K521S519-K521 PolarHBondContact OG-N 2.87Å
520P40.1Very low33.1Very low113 Ų113122.7 Ų122.773%0.73476%0.764SS**  -152.2134.495.736.5-17.3000118.8
521K30.3Very low33.3Very low195 Ų195127.5 Ų127.585%0.84878%0.776SS**  trans62.5132135.5-64.6179.4175.3177.60122.2S519S519-K521 PolarHBondContact OG-N 2.87Å
522G38.5Very low33.8Very low82 Ų82120.7 Ų120.785%0.84576%0.764SS**  trans-177.658168.100000113.6
523T30.9Very low33.8Very low126 Ų126123.4 Ų123.477%0.77376%0.764SS**  trans-95.5179.1-159.8-16.90000114.2
524P37.5Very low34.2Very low108 Ų108122.1 Ų122.170%0.70176%0.758SS**  -123.2-169.3-99.944.9-30.2000114.7
525S35.4Very low34.1Very low94 Ų94121.4 Ų121.466%0.65776%0.756SS**  trans-175.1129.7130.4-860000116.5
526Q32.3Very low34.5Very low177 Ų177126.1 Ų126.183%0.82777%0.767SS**  trans51.4149.6130.3-44.9-178.630.900120.8
527V36.5Very low34.8Very low118 Ų118121.2 Ų121.272%0.71577%0.765SS**  cis-139.3126.914.2178.70000112.5
528T29.5Very low34.5Very low124 Ų124124.8 Ų124.876%0.76177%0.774SS**  trans19.7125141.6-420000123.5
529P43.7Very low34.6Very low119 Ų119123.1 Ų123.177%0.77377%0.765SS**  trans-115.5159.9159.540.6-32.2000114.8
530P41.1Very low34.3Very low111 Ų111122.2 Ų122.272%0.72176%0.759SS**  trans-144.1167159.742.3-27.6000117
531Q31.5Very low33.7Very low198 Ų198125.5 Ų125.593%0.92577%0.765SS**  trans67.8131.5162.6-65.4176-42.500119.5
532G35.8Very low33.7Very low60 Ų60119.4 Ų119.462%0.61976%0.757SS**  cis-175.2132.4-8.600000110.7
533T30.6Very low33.2Very low137 Ų137122.2 Ų122.284%0.8476%0.758SS**  62.6142.383.360.70000116.2
534P36.5Very low33Very low109 Ų109121 Ų12171%0.70876%0.755SS**  cis-148.9-169.1-28.340.3-20.4000115.4
535S29.7Very low32.8Very low100 Ų100123.8 Ų123.870%0.69976%0.762SS**  trans93.6148.2136-770000123.7
536Q35Very low32.4Very low191 Ų191127.1 Ų127.189%0.89377%0.768SS**  trans70129.3173.5-44-62.8-0.700115.9
537G35.3Very low32.6Very low74 Ų74125.4 Ų125.476%0.76377%0.769SS**  cis-169.5144.8-6.700000112.5
538T27.1Very low32.1Very low138 Ų138124.6 Ų124.685%0.84777%0.769SS**  trans-110.9176.6-176.752.50000111.1
539P35.3Very low32.4Very low111 Ų111124.5 Ų124.572%0.72177%0.77SS**  -133.9-133.3-52.240.8-22000109.1
540S27.3Very low31.9Very low81 Ų81124.4 Ų124.457%0.56677%0.773SS**  trans77.6112.7157.9-76.70000120.2
541E28Very low31.3Very low183 Ų183127.3 Ų127.386%0.85578%0.777SS**  52.2129.2118.9-60.5161.4107.700120.5
542G29.3Very low31.5Very low66 Ų66124.4 Ų124.468%0.6877%0.772SS**  trans149.8115.5134.300000116.9
543T29.2Very low31.2Very low141 Ų141126.5 Ų126.587%0.86577%0.773SS**  trans65.899.7137.5-44.70000118.3
544S26.5Very low31.7Very low102 Ų102125.4 Ų125.471%0.71377%0.768SS**  trans-15139141.9178.30000116.3
545L33Very low31.7Very low165 Ų165125.7 Ų125.786%0.86477%0.77SS**  trans-152.2119.7131.4-111.4176.7000113.1
546Q26.9Very low31.7Very low164 Ų164130.6 Ų130.677%0.76678%0.782SS**  trans-56134.5170.7171.2-172.11.300113.3
547V36Very low31.8Very low141 Ų141125.2 Ų125.286%0.85578%0.777SS**  trans-137.9134.3160.8-169.30000109.1
548S26.9Very low31.6Very low101 Ų101128.3 Ų128.371%0.70678%0.781SS**  trans-98.4177.2-177.1-120.80000112
549P35.7Very low32Very low122 Ų122127.1 Ų127.179%0.79278%0.776SS**  trans-89.3167.1-151.435.8-37.5000115.1
550S33.2Very low32Very low118 Ų118127.2 Ų127.283%0.82578%0.779SS**  trans-127118.7167.1-69.40000110.9
551E27.8Very low32.2Very low172 Ų172131.6 Ų131.680%0.80479%0.791SS**  trans-72133.7171.7-178.6-165.914200111
552V35.8Very low32.6Very low137 Ų137129 Ų12983%0.8379%0.787SS**  trans-140.8110.6163.5-171.40000110.1
553T30.5Very low32.6Very low104 Ų104131.7 Ų131.764%0.63879%0.791SS**  trans-85.8147-179-69.10000111.1
554P41.8Very low32.9Very low113 Ų113130 Ų13073%0.73478%0.782SS**  trans-99.5-177.5-161.340.2-38.6000114.5
555P36.5Very low33.2Very low116 Ų116130.3 Ų130.375%0.75378%0.784SS**  trans-131.4124.1152.635.6-21.5000115.6
556Q29Very low33.2Very low203 Ų203131 Ų13195%0.94978%0.783SS**  trans34.3131.3132.7-59.8179.9-23.100122
557G37.7Very low33.6Very low77 Ų77127 Ų12779%0.79479%0.785SS**  trans-172.2107.816000000113.9
558T30.3Very low33.3Very low139 Ų139126.2 Ų126.285%0.85378%0.781SS**  trans-130.5178.9178.254.80000110.1
559P35.8Very low33.7Very low114 Ų114126.8 Ų126.874%0.7478%0.783SS**  -131172.8-59.139-24.9000113.3
560S35.2Very low33.5Very low112 Ų112125.8 Ų125.878%0.78378%0.779SS**  trans-164.6132.4156.7-74.20000108.4
561E30.8Very low33.3Very low173 Ų173129.1 Ų129.181%0.80878%0.781SS**  58125.885.6-127.5-179.8130.800112.4
562V36.6Very low33.6Very low129 Ų129124.4 Ų124.478%0.78278%0.779SS**  cis-144.6172.339.8-160.10000113.8
563T29.2Very low33.3Very low122 Ų122124.5 Ų124.575%0.74878%0.78SS**  trans-91.2-166-162.5-21.40000115
564P36.7Very low33.2Very low105 Ų105124.5 Ų124.568%0.68278%0.784SS**  -122.2-173-112.445.5-29.7000116
565S33Very low32.7Very low109 Ų109125.8 Ų125.876%0.76278%0.784SS**  trans-177.4112.7135.7-83.20000112
566Q31Very low32.3Very low181 Ų181128.5 Ų128.585%0.84679%0.786SS**  74.1102.994.9-72.1-75.1-21.800115.1
567G35.3Very low32.6Very low78 Ų78124.9 Ų124.980%0.80478%0.778SS**  trans178.898.3173.800000111.9
568T30.7Very low32Very low126 Ų126127 Ų12777%0.77378%0.781SS**  trans-114.2174.6-173.850.70000111.5
569P35.7Very low32.1Very low113 Ų113125.6 Ų125.673%0.73477%0.774SS**  cis-133.2175.1-48.338.6-24.6000112.2
570S30.4Very low31.8Very low101 Ų101125.4 Ų125.471%0.70678%0.775SS**  trans-179.7147.9130.6-1150000114.4
571E30.9Very low31.5Very low188 Ų188128.3 Ų128.388%0.87978%0.776SS**  trans33.9118.3147-60.5176.4132.200120.7
572G33.1Very low31.6Very low73 Ų73125.3 Ų125.375%0.75377%0.77SS**  trans178.485.3172.900000116
573T29.5Very low31.3Very low139 Ų139125.7 Ų125.785%0.85377%0.772SS**  trans49105.6137.6-51.60000121.5
574S29.2Very low31.7Very low104 Ų104125 Ų12573%0.72777%0.77SS**  trans79.8172.4134.1-153.30000121.5
575L31.5Very low31.5Very low139 Ų139126.2 Ų126.273%0.72878%0.778SS**  trans77.4118.3171.4-54.1-177.7000119
576Q28.1Very low31.4Very low173 Ų173130.4 Ų130.481%0.80879%0.786SS**  trans36.5131.4143-65.7166-9500120.5
577V33.9Very low31.6Very low128 Ų128125.5 Ų125.578%0.77678%0.784SS**  -171.6138.8111.9143.40000108.8P579V577-P579 HydrophobicContact CG1-CG 4.15Å
578S26.1Very low31.5Very low122 Ų122128.3 Ų128.385%0.85379%0.785SS**  trans-95.5128.5166.9-1800000109.2
579P32Very low31.8Very low108 Ų108127.6 Ų127.670%0.70178%0.783SS**  trans-140.7163.3154.635.5-18.2000114.7V577V577-P579 HydrophobicContact CG1-CG 4.15Å
580S28.9Very low31.7Very low111 Ų111127.3 Ų127.378%0.77678%0.783SS**  trans-78.7158.2-173-43.40000115.7
581E28.6Very low31.7Very low172 Ų172130.2 Ų130.280%0.80479%0.786SS**  trans72.4178.3139.1-130.5-159.2109.300122
582V32.7Very low31.8Very low110 Ų110130.6 Ų130.667%0.66779%0.79SS**  trans75.996.1169.8-161.50000119.3P584V582-P584 WeakPolarHBondContact O-CD 3.03Å
583T31.6Very low31.7Very low137 Ų137132.6 Ų132.684%0.8479%0.788SS**  trans-76.1128.8159.3-58.60000112.1
584P37Very low32.3Very low107 Ų107131.1 Ų131.170%0.69578%0.78SS**  trans-106.7159.3168-1.324000114.2V582V582-P584 WeakPolarHBondContact O-CD 3.03Å
585P33.5Very low32.7Very low131 Ų131131.6 Ų131.685%0.85178%0.781SS**  trans-103.1-178.2-161.840.5-38.5000117.1
586Q29.2Very low32.6Very low198 Ų198133.5 Ų133.593%0.92579%0.786SS**  trans-61.4158.7-177.7-62-179.4-10.600115.9
587G35.3Very low32.9Very low78 Ų78129 Ų12980%0.80479%0.786SS**  trans-160.2113.3161.500000113.9
588T34.7Very low32.9Very low136 Ų136128.9 Ų128.983%0.83479%0.786SS**  trans-88161.4167.151.80000111
589P36.6Very low33.4Very low112 Ų112128.4 Ų128.473%0.72778%0.78SS**  -153.2152.6116.637-19.3000117.8
590S32.8Very low33.4Very low106 Ų106128.7 Ų128.774%0.74179%0.785SS**  trans49.8106138-58.80000123.5
591E30.3Very low33.5Very low162 Ų162132.2 Ų132.276%0.75779%0.789SS**  66.3109106.1-166.1175-172.300121.5
592M33Very low33.8Very low196 Ų196127.6 Ų127.697%0.96679%0.788SS**  trans-143.3148.5130.6-84.5-166.1-178.300109.5
593T32.2Very low33.7Very low116 Ų116127.7 Ų127.771%0.71279%0.789SS**  trans-122.9-177.3-161.6-5.80000111.7
594P41.6Very low33.7Very low107 Ų107126.1 Ų126.170%0.69578%0.783SS**  trans-109.8-160.7-137.836.7-16.8000113.5
595P36.8Very low33.6Very low114 Ų114126.2 Ų126.274%0.7478%0.784SS**  -148.3146.79138-20.6000118
596Q30Very low33.3Very low179 Ų179127.9 Ų127.984%0.83678%0.781SS**  trans35.8130.3137.5-61.5-179.5-25.200123.1
597G34.3Very low33.6Very low79 Ų79122.4 Ų122.481%0.81478%0.777SS**  trans-149.2122143.500000109
598T32.8Very low33.4Very low126 Ų126124 Ų12477%0.77377%0.771SS**  trans-134.4-172.1-170.369.50000110.7
599P37.3Very low33.4Very low112 Ų112123 Ų12373%0.72777%0.767SS**  -127.3-179.1-120.331-6.5000115.6
600S33.1Very low33.1Very low114 Ų114121.7 Ų121.780%0.79776%0.76SS**  trans-159.3123.1154.2-69.40000106.4
601E30.7Very low32.9Very low184 Ų184124.5 Ų124.586%0.8676%0.762SS**  71.2131.463.5-66.8-136.7125.500114.3
602G34.6Very low32.9Very low76 Ų76126.1 Ų126.178%0.78477%0.769SS**  trans173.3110.4-175.600000109.2
603T31.2Very low32.7Very low112 Ų112122.7 Ų122.769%0.68776%0.76SS**  trans-141.2134.6-146-53.50000113.2
604S30Very low33.2Very low104 Ų104122.4 Ų122.473%0.72776%0.76SS**  trans65.7178.1164.6-105.10000117.2
605P35.2Very low33Very low109 Ų109122.1 Ų122.171%0.70876%0.758SS**  cis-129.1162-3.125.4-2.5000118
606Q27.7Very low32.6Very low166 Ų166126 Ų12678%0.77677%0.766SS**  trans15.7139144.3-64162.9-97.400122.6
607G34.8Very low32.8Very low82 Ų82120.9 Ų120.985%0.84576%0.762SS**  trans-147.4106.3153.600000110.3
608T30.7Very low32.9Very low111 Ų111123.7 Ų123.768%0.68176%0.763SS**  trans-140.6167.3-168.840.20000109.5
609P36.3Very low33.1Very low117 Ų117122.6 Ų122.676%0.7676%0.759SS**  cis-136.4-121.4-20.137.1-14.3000111.3
610S28.9Very low32.8Very low83 Ų83121.5 Ų121.558%0.5875%0.753SS**  trans77.7109.3179.3-63.40000115.1
611E29.5Very low32.7Very low166 Ų166124 Ų12478%0.77675%0.753SS**  84.9142.273.7-75.6160.5127.200110.9
612E30.5Very low32.9Very low195 Ų195118.5 Ų118.591%0.91175%0.745SS**  cis-117.9-168.124.8-63.7-179.6117.900115.4
613T28.5Very low32.8Very low124 Ų124119.9 Ų119.976%0.76174%0.739SS**  trans-132.1147.5-158.1-63.20000111.3
614P42.4Very low32.8Very low110 Ų110122.1 Ų122.171%0.71475%0.746SS**  trans-77.4180178.535.1-39.8000112.9
615P37.1Very low33.1Very low102 Ų102121.6 Ų121.666%0.66274%0.74SS**  -152.9164.7113.839.9-24.1000117.7
616Q29.6Very low32.8Very low194 Ų194125.7 Ų125.791%0.90775%0.75SS**  trans65.4150.2144.9-72.3154.8-4.700120.7
617G33.6Very low33.1Very low73 Ų73121.4 Ų121.475%0.75375%0.75SS**  cis-161.3149.5300000116.9
618T35.5Very low33.1Very low137 Ų137124 Ų12484%0.8475%0.75SS**  trans-72.7179.7153.651.90000109.8
619P37.1Very low33.4Very low104 Ų104124.8 Ų124.868%0.67576%0.757SS**  cis-153.3-164.524.944.2-21.2000118.2
620S31.1Very low33Very low88 Ų88124.4 Ų124.462%0.61576%0.757SS**  trans71.7155.6145.3-72.40000119.7
621E32.7Very low33.1Very low167 Ų167129.7 Ų129.778%0.7877%0.772SS**  cis-157.2167.9-16.2-113.2162.2112.700107
622G34.8Very low33.3Very low69 Ų69125 Ų12571%0.71177%0.768SS**  cis178.4-158.96.800000108.7
623T32.4Very low33.4Very low105 Ų105122.5 Ų122.564%0.64477%0.766SS**  cis-178.1109.9-30.3-85.80000109.7
624L31Very low34.1Very low159 Ų159122 Ų12283%0.83277%0.766SS**  trans63.5-177.4144.1-66.4-175.3000120.5
625P35.4Very low33.9Very low93 Ų93121.9 Ų121.960%0.60476%0.764SS**  cis-139.3-176.3-4837.9-21.2000116.6
626Q29Very low33.5Very low195 Ų195126.4 Ų126.491%0.91178%0.777SS**  trans71.8152.5153.9-77.3165.2-7.700118.8
627G34.3Very low33.7Very low76 Ų76120.7 Ų120.778%0.78477%0.77SS**  cis-169.4175.6-1.100000113.8
628T34.5Very low33.6Very low137 Ų137123.7 Ų123.784%0.8477%0.774SS**  trans-103.2161.5-176.651.20000113.9
629P36.5Very low33.6Very low127 Ų127122.9 Ų122.983%0.82577%0.771SS**  -140.418012238.7-25.7000115.1
630S28.6Very low33.3Very low109 Ų109123.2 Ų123.276%0.76278%0.776SS**  trans-110.2-155.4-171.4-44.60000113.6
631Q31.9Very low33.3Very low194 Ų194129 Ų12991%0.90779%0.793SS**  trans85.2133.4-176.3-43.8-57.3-2.300114.2
632G32.6Very low33.4Very low67 Ų67124.4 Ų124.469%0.69179%0.791SS**  cis-156-174.9-200000111.7
633T32.7Very low33.3Very low142 Ų142127.4 Ų127.487%0.87180%0.795SS**  trans-135.9-177.6-171.2-10.60000112.1
634P44.2Very low33.6Very low115 Ų115128 Ų12875%0.74780%0.801SS**  trans-108.9-156.1-133.939.9-19.1000112.6
635P36.4Very low33.9Very low106 Ų106125.6 Ų125.669%0.68880%0.795SS**  -154.8165.97241.5-20.5000119.1
636Q29.8Very low33.7Very low197 Ų197130.8 Ų130.892%0.92181%0.811SS**  trans38.4138.3143.3-67.8-177.8-41.400124.1
637G33.9Very low34Very low74 Ų74125.3 Ų125.376%0.76381%0.807SS**  trans-169.1111.2153.800000113.5
638T31.4Very low33.9Very low137 Ų137128.6 Ų128.684%0.8481%0.812SS**  trans-135.9127.2177.8520000112.1
639P36.2Very low33.9Very low120 Ų120127.8 Ų127.878%0.77981%0.809SS**  trans-134.4131.4137.220.8-1000111.1
640S30.8Very low33.8Very low111 Ų111127.8 Ų127.878%0.77681%0.812SS**  82.195.369.2-64.30000115
641E30.7Very low34Very low208 Ų208131.8 Ų131.897%0.97282%0.819SS**  trans52.1128146.6-57.1-169.8126.200122.3
642G34.6Very low34.1Very low71 Ų71126 Ų12673%0.73281%0.81SS**  trans178.7124.3163.500000112.1
643T31.7Very low34.1Very low133 Ų133129 Ų12982%0.81682%0.816SS**  trans-165.6146.3-173.1-490000112
644P39.7Very low34.2Very low118 Ų118127.7 Ų127.777%0.76681%0.81SS**  cis-105.3-103.5-29.231.6-11.4000108.8
645P36.8Very low33.9Very low107 Ų107128.4 Ų128.470%0.69581%0.814SS**  cis-121.7165.7-11.642-26.7000116.7
646Q30.9Very low33.8Very low203 Ų203132.8 Ų132.895%0.94983%0.826SS**  trans12.7130.1155.5-67.1179.4-34.500122.6
647G35.3Very low34.1Very low80 Ų80127.2 Ų127.283%0.82582%0.821SS**  trans-17212415500000111.9
648T33.6Very low34Very low145 Ų145130.1 Ų130.189%0.8982%0.824SS**  trans-94.5160.5-174.923.50000113.9
649P33.9Very low34.3Very low119 Ų119129.3 Ų129.377%0.77382%0.821SS**  trans-89.5177.5-160.836.1-38.6000115.3
650S34.3Very low34.2Very low127 Ų127129.5 Ų129.589%0.88883%0.825SS**  trans-148.4144.6166-760000112.3
651Q31.9Very low34.2Very low194 Ų194133.5 Ų133.591%0.90783%0.832SS**  trans-83.4159.2-172.7-72.7-83-0.700113.2
652G35.2Very low34.4Very low71 Ų71127.4 Ų127.473%0.73283%0.825SS**  trans-161.3104.3173.600000113.6
653T31.8Very low34.2Very low132 Ų132130.2 Ų130.281%0.8183%0.828SS**PPolyproline II helixtrans-80.5143.1-167.1-39.80000114.8
654P35.3Very low34.5Very low114 Ų114129.3 Ų129.374%0.7482%0.824SS**PPolyproline II helixtrans-86.7152.8174.834.7-36.4000114.4
655P38.7Very low34.2Very low129 Ų129128.6 Ų128.684%0.83882%0.822SS**PPolyproline II helixtrans-102.7157.6171.837.4-32.1000114.4
656Q33Very low33.7Very low199 Ų199131.8 Ų131.893%0.9383%0.828SS**PPolyproline II helixtrans-86.6163.6-175.2-61170.7-53.100114.7
657G35.9Very low33.6Very low80 Ų80129.5 Ų129.583%0.82582%0.817SS**  trans-145.4106.6167.400000112.5
658T32.7Very low33.4Very low134 Ų134131.2 Ų131.282%0.82281%0.811SS**  trans-67.7164.9-165.838.90000118.3
659P38.2Very low33.3Very low120 Ų120131.4 Ų131.478%0.77981%0.806SS**  trans-98-171.3-168.240.3-38.6000115.8
660S33.4Very low33.3Very low124 Ų124131.9 Ų131.987%0.86781%0.81SS**  trans-151.4153.3164.8-70.80000112.5
661E30Very low33.1Very low195 Ų195136 Ų13691%0.91181%0.806SS**  trans-94167.5-169.6-59.3172.394.900114.6
662G35.4Very low33.2Very low80 Ų80135.9 Ų135.983%0.82581%0.805SS**  trans-17393.7171.100000114.2
663T29.4Very low33Very low130 Ų130137.9 Ų137.980%0.79880%0.803SS**  trans-100.8-177.1-170.23.60000113.2
664P39.3Very low33.1Very low114 Ų114137.8 Ų137.874%0.7481%0.805SS**  trans-119-175.1-131.944.2-32.4000117.4
665S32.6Very low32.7Very low103 Ų103137.5 Ų137.572%0.7281%0.805SS**  trans-151.7133.5161.6-71.60000108.8
666Q27.2Very low32.2Very low175 Ų175140.9 Ų140.982%0.81881%0.81SS**  56.9131.474.3-71.6-166.187.600112.8
667E28.9Very low32.3Very low155 Ų155135.2 Ų135.272%0.72481%0.805SS**  cis-140.1-164.61.9-111.5-147.1101.800108.7
668T31.3Very low32Very low115 Ų115137.8 Ų137.871%0.70681%0.805SS**  cis-153.9170.615.3-28.40000110.1
669L30.7Very low32.1Very low149 Ų149137 Ų13778%0.7880%0.802SS**  trans-98.3166.8159.8-76.7161.7000110.9
670P34.1Very low32Very low130 Ų130135.9 Ų135.984%0.84480%0.795SS**  -144.216298.137.6-22.6000116.1
671R31Very low31.7Very low214 Ų214139.2 Ų139.281%0.80880%0.797SS**  trans-113.2122.8177.1160.3-158-176.6-101.37.2108.5
672E32.9Very low32.1Very low190 Ų190133.8 Ų133.889%0.88879%0.793SS**  trans-139.7152.6164-75.2-145.1147.900113.7
673T30.2Very low31.7Very low114 Ų114136.5 Ų136.570%0.69979%0.794SS**  trans-135.6131178.245.30000109.4
674P35.2Very low32Very low129 Ų129135.4 Ų135.484%0.83879%0.789SS**  trans-97.1148.7160.5-5.325.5000112
675S25.8Very low31.4Very low108 Ų108134.9 Ų134.976%0.75579%0.788SS**  trans-110.8-176.4173.5-68.60000111.1
676E28.3Very low31.3Very low201 Ų201139.6 Ų139.694%0.93980%0.799SS**  trans84.9134.8163.7-49.2-164.19300117.6
677G35.1Very low31.7Very low79 Ų79135.2 Ų135.281%0.81480%0.8SS**  trans160.928.2-174.600000117.8
678T29.4Very low31.8Very low135 Ų135134.4 Ų134.483%0.82881%0.806SS**  trans-66.7173.2173.67.10000112.6
679P35.9Very low32Very low117 Ų117134 Ų13476%0.7681%0.806SS**  cis-134.8-133.44.930.4-1.7000114.4
680P37Very low32.1Very low97 Ų97132 Ų13263%0.6380%0.804SS**  -135.5179.3-98.245.4-28.2000118
681Q27Very low31.8Very low193 Ų193134.6 Ų134.690%0.90281%0.805SS**  trans58.4130.6147.1-76.8168.9-34.900121.5
682G37.2Very low31.9Very low82 Ų82133.7 Ų133.785%0.84581%0.81SS**  trans-175.951176.200000117.6
683T27.4Very low31.6Very low136 Ų136130.7 Ų130.783%0.83480%0.804SS**  trans-73.5166.1168.834.50000113.2
684P34.8Very low31.9Very low108 Ų108131.8 Ų131.870%0.70181%0.811SS**  cis-141.5-171.4-13.238.5-18.2000116
685S27.1Very low31.9Very low102 Ų102131.1 Ų131.171%0.71381%0.807SS**  trans86.9143.5139.2-71.70000124.1
686E31.6Very low32Very low203 Ų203135.6 Ų135.695%0.94982%0.815SS**  trans69.4131.5158.5-68.4-178.9129.500121.4
687G35.6Very low31.9Very low82 Ų82134.6 Ų134.685%0.84581%0.811SS**  trans132.876.8160.400000119.3
688T30.6Very low31.6Very low139 Ų139137.2 Ų137.285%0.85381%0.811SS**  trans-66.6160.7160.7-13.30000110.4
689P35.3Very low31.7Very low107 Ų107135.7 Ų135.770%0.69580%0.804SS**  cis-150.6-169.13045.5-23.7000119
690S32Very low31.6Very low107 Ų107136.4 Ų136.475%0.74881%0.808SS**  trans65.1114160.5-56.80000118.4
691Q28.5Very low31.3Very low183 Ų183140.7 Ų140.786%0.85582%0.82SS**  80.198.260.7-74.5-1592800115.9
692E34Very low31.4Very low196 Ų196140.5 Ų140.592%0.91682%0.816SS**  trans-134.1163144.9-85.5-167.1105.900108.1
693T26.3Very low31.1Very low126 Ų126143.4 Ų143.477%0.77381%0.811SS**  trans-142.4106.6-163.2-61.50000114.1
694V36.3Very low31.1Very low138 Ų138141 Ų14184%0.83680%0.801SS**  trans-150.6172.3170.4-125.10000109.2
695P35Very low31.1Very low115 Ų115145.1 Ų145.175%0.74781%0.808SS**  -124.8159-111.940.6-25.3000116.5
696Q28.4Very low31.3Very low201 Ų201148.4 Ų148.494%0.93981%0.812SS**  trans-159.8163.7152.7-124.9172.8-1.100113.8
697E26.6Very low31.5Very low180 Ų180145.4 Ų145.484%0.84180%0.802SS**  trans-96.6-168.4-173.6-58-164118.500114.2
698T27.7Very low31.4Very low135 Ų135148.9 Ų148.983%0.82880%0.8SS**  trans82.5155.4165.816.40000116.9
699P32.1Very low31.5Very low103 Ų103150.1 Ų150.167%0.66980%0.8SS**  -134.7169.1-108.941.9-25.2000116.1
700P32.7Very low31.3Very low132 Ų132151 Ų15186%0.85780%0.804SS**  trans-121.9168.4164.937.5-25.4000114.8
701Q30.7Very low31.2Very low187 Ų187155.8 Ų155.887%0.87481%0.811SS**  trans-106.4141.6-177.1-60.4172.2-4.200111.9
702K29.2Very low31.3Very low188 Ų188155.1 Ų155.182%0.81781%0.814SS**  trans54.9132.8138-164178.7-178.2-178.10120.7
703L31Very low31.3Very low143 Ų143156.8 Ų156.875%0.74981%0.811SS**  trans103.1132.1148.6-99.3159.7000121.6
704S28Very low31.6Very low87 Ų87155.7 Ų155.761%0.60881%0.809SS**  trans85.2153.4157.874.10000119.8
705F34.2Very low31.2Very low194 Ų194155.5 Ų155.585%0.85181%0.813SS**  trans60.5107.3-168.8-51.4-79.3000113.5
706Q32Very low31.1Very low171 Ų171157.4 Ų157.480%0.79981%0.812SS**  cis75.1120.219.1-147.2170116.800115.5
707D35.5Very low31Very low139 Ų139155.7 Ų155.774%0.74380%0.804SS**  trans83144.8165.5-61-25000123.4
708I33.2Very low31.2Very low155 Ų155151.4 Ų151.480%0.79579%0.791SS**  trans66.178.6168.7-32.4-174.9000118.3
709L32.9Very low31.2Very low166 Ų166146.7 Ų146.787%0.86977%0.766SS**  -155.9155.4101.7-127.2127.4000113.2
710T32.1Very low31.2Very low124 Ų124148 Ų14876%0.76176%0.758SS**  trans-92.8155.7-158.142.40000115.5
711K28.9Very low31.2Very low209 Ų209146.2 Ų146.291%0.90974%0.738SS**  trans85.767147.9-155.8177.4-173.91750118.1
712D31.3Very low31Very low169 Ų169145.8 Ų145.890%0.90474%0.736SS**  trans-111.7158150.6-150.9-20.3000110.2
713R33.5Very low31.2Very low231 Ų231141.9 Ų141.987%0.87273%0.728SS**  trans-140.7125.4-168177.6171.8175.9157.41.6114.8
714S31.8Very low31.3Very low103 Ų103140.2 Ų140.272%0.7273%0.726SS**  trans76.579.9154.9-170.10000118.1
715S29.4Very low31.6Very low133 Ų133146.3 Ų146.393%0.9374%0.742SS**  trans-127.187.4154.6-70.20000110.4
716Q31.5Very low31.5Very low155 Ų155145.1 Ų145.172%0.72474%0.739SS**  trans-157.3111.3164.5-154.2155.521.600105.7
717E27.5Very low31.4Very low165 Ų165143.2 Ų143.277%0.77174%0.735SS**  67.777.678-169.7-169-145.400111.8
718T30.5Very low31.4Very low90 Ų90144.5 Ų144.555%0.55274%0.74SS**  trans-137.398.1151.915.40000109.7Y720T718-Y720 HydrophobicContact CG2-CE2 4.49Å; T718-Y720 VanDerWaalsContact O-CD2 3.26Å; T718-Y720 WeakPolarHBondContact O-CD2 3.19Å; T718-Y720 WeakPolarHBondContact O-CE2 3.42Å; T718-Y720 PolarHBondContact OG1-OH 2.99Å
719A27.8Very low31.3Very low37 Ų37142.4 Ų142.431%0.30673%0.734SS.*  -15.7133123.600000114.3S1178 C1179A719-S1178 VanDerWaalsContact O-CB 3.31Å; A719-S1178 WeakPolarHBondContact O-CB 3.31Å; A719-S1178 PolarHBondContact O-OG 3.02Å; A719-S1178 VanDerWaalsContact O-OG 3.06Å; A719-C1179 VanDerWaalsContact CA-SG 3.58Å; A719-C1179 HydrophobicContact CB-CB 4.1Å; A719-C1179 WeakPolarHBondContact CB-SG 3.02Å
720Y32.5Very low31.2Very low130 Ų130139.7 Ų139.751%0.5173%0.725SS.*  trans-140.8138.2166.5-73.5-70.3000109.9T718 C1179 Q1180T718-Y720 HydrophobicContact CG2-CE2 4.49Å; T718-Y720 VanDerWaalsContact O-CD2 3.26Å; T718-Y720 WeakPolarHBondContact O-CD2 3.19Å; T718-Y720 WeakPolarHBondContact O-CE2 3.42Å; T718-Y720 PolarHBondContact OG1-OH 2.99Å; Y720-C1179 CarbonylContact O-C 3.57Å; Y720-C1179 WeakPolarHBondContact O-CA 3.35Å; Y720-C1179 PolarHBondContact O-N 2.94Å; Y720-Q1180 WeakPolarHBondContact O-CB 3.24Å; Y720-Q1180 VanDerWaalsContact O-CD 3.24Å; Y720-Q1180 WeakPolarHBondContact O-CG 3.45Å; Y720-Q1180 PolarHBondContact O-N 3.41Å; Y720-Q1180 PolarHBondContact O-NE2 2.9Å
721Q31.3Very low31.1Very low95 Ų95141.3 Ų141.344%0.44472%0.724SS.*  trans-136.2165.3-174.2176.3-170.4-25.800107.4V1177 S1178 C1179Q721-V1177 VanDerWaalsContact C-CG1 3.41Å; Q721-V1177 HydrophobicContact CB-CB 4.33Å; Q721-V1177 HydrophobicContact CB-CG1 3.45Å; Q721-V1177 VanDerWaalsContact CB-CG1 3.45Å; Q721-V1177 HydrophobicContact CG-CB 4.43Å; Q721-V1177 HydrophobicContact CG-CG1 3.73Å; Q721-V1177 VanDerWaalsContact O-CG1 3.27Å; Q721-V1177 WeakPolarHBondContact O-CG1 3.42Å; Q721-S1178 VanDerWaalsContact CB-N 3.29Å; Q721-C1179 WeakPolarHBondContact CB-O 3.33Å
722E27.4Very low31.5Very low178 Ų178138.8 Ų138.883%0.83272%0.72SS**  trans-77127.3-176.6-57.7169130.800111.4
723T32.3Very low31.4Very low105 Ų105141.6 Ų141.664%0.64472%0.718SS**  trans-149.9151.1141.622.60000109.6V1177T723-V1177 HydrophobicContact CG2-CG2 4.11Å
724P34.7Very low31.6Very low108 Ų108135.4 Ų135.470%0.70171%0.708SS**  trans-91.2166.7-166.636.8-36.9000113.3
725F32.6Very low31.7Very low215 Ų215135.5 Ų135.594%0.94371%0.709SS**  trans-118.8118.3158.8-79.8-82.3000109.8
726Q32.3Very low31.8Very low170 Ų170137.2 Ų137.279%0.79470%0.702SS**  trans-113.6146162.5-77.5177.8-19.500109
727D31.5Very low31.9Very low131 Ų131136.1 Ų136.170%0.70170%0.701SS**  trans36.4103149.6-55.5-24000120.5
728L33.8Very low32.3Very low165 Ų165133.4 Ų133.486%0.86470%0.7SS**  -162.5108.2116.7-124.265.4000107
729V31.6Very low32.3Very low111 Ų111135.6 Ų135.667%0.67370%0.704SS**  52.410265.5-1680000112.5
730T30.8Very low32.5Very low109 Ų109142.8 Ų142.867%0.66973%0.725SS**  trans155118.7132.7-67.70000112.4
731Q31.2Very low32.3Very low159 Ų159144.7 Ų144.774%0.74374%0.736SS**  trans34.9129149.6-52.9168.410.600119.3
732N36.4Very low32.4Very low155 Ų155148.9 Ų148.983%0.82976%0.755SS**  -159174.974.9-104.3-73.6000115.9
733R30.2Very low32.5Very low229 Ų229146.2 Ų146.286%0.86475%0.752SS**  trans-118.8-162.2-158.8-151.1-163.6176.5-179.61.3112.2
734P36.2Very low32.7Very low101 Ų101146.4 Ų146.466%0.65676%0.755SS**  -111.1175.8-108.540.9-27.1000116.6
735S34.1Very low32.6Very low105 Ų105145.3 Ų145.373%0.73475%0.75SS**  trans-162.1134.2138.9-75.80000107.2
736Q31.3Very low32.4Very low169 Ų169142.1 Ų142.179%0.7974%0.737SS**  57.7134.872.9-68.6-172.6-61.600112.7
737D35.1Very low32.2Very low132 Ų132141 Ų14171%0.70673%0.732SS**  cis-155.9-175.523.6-148.5-15.5000113.9
738S35.2Very low32.3Very low108 Ų108140.2 Ų140.276%0.75573%0.727SS**  trans84150.6165.4-53.60000119.6
739Q29.4Very low31.9Very low136 Ų136140.1 Ų140.164%0.63672%0.72SS**  -170.4164.7-74.2-175.5179.124.500110
740Y31.8Very low31.9Very low187 Ų187143.3 Ų143.373%0.73373%0.725SS**  trans74.7127.2173.5-47.8-80.2000116.6
741K28.4Very low31.7Very low170 Ų170144.9 Ų144.974%0.73973%0.725SS**  cis91.311316.9-168.3-161.8171.9-164.90115.6
742E33.6Very low31.5Very low183 Ų183143 Ų14386%0.85572%0.72SS**  -165.5157.8121.3-110.2173.3-168.600115.6
743T30.6Very low31.1Very low123 Ų123141.7 Ų141.776%0.75572%0.717SS**  trans-105.3-161.5178.4-20000108.9
744P35.5Very low31.2Very low109 Ų109135.3 Ų135.371%0.70871%0.706SS**  cis-114.4-168.2-1.732.7-8.9000111.6
745S33.2Very low30.7Very low85 Ų85138.2 Ų138.259%0.59471%0.708SS**  cis-164.2143.646.9-89.40000110.3
746Q27.8Very low30.4Very low147 Ų147140.5 Ų140.569%0.68771%0.707SS**  56.5140.591.6-52.4167.5-82.200114.4
747E28.5Very low30.6Very low146 Ų146139.3 Ų139.368%0.68271%0.707SS**  cis-162.2170.6-5.1-108.9162.4-117.900106
748I34.4Very low30.4Very low116 Ų116138.7 Ų138.760%0.59571%0.708SS**  cis-146.1145.714.4-124.6154.7000105.6F750I748-F750 HydrophobicContact CG2-CD2 3.82Å; I748-F750 HydrophobicContact CG2-CE2 3.82Å
749F24.2Very low30.5Very low163 Ų163139.4 Ų139.472%0.71571%0.709SS**  63.6160.979.4-114.3-86.9000117
750F32.3Very low30.3Very low178 Ų178137.5 Ų137.578%0.78171%0.711SS**  trans68.7113.7-163.4-45-71.5000112.9I748I748-F750 HydrophobicContact CG2-CD2 3.82Å; I748-F750 HydrophobicContact CG2-CE2 3.82Å
751Q26.7Very low30.5Very low141 Ų141137.6 Ų137.666%0.65972%0.719SS**  cis68.3135.77.3-154.7174.2-6.300117.2
752D27.2Very low30.5Very low121 Ų121135.8 Ų135.865%0.64772%0.717SS**  trans84.7100.8165-66.1-30000122.5
753T27.3Very low30.7Very low126 Ų126134.3 Ų134.377%0.77371%0.713SS**  trans79.1170.5132.871.50000119.5
754P32.7Very low30.6Very low95 Ų95134.7 Ų134.762%0.61771%0.707SS**  -134.1-143.3-68.542.5-25.9000112.3
755F26.2Very low30.3Very low163 Ų163138.8 Ų138.872%0.71571%0.709SS**  trans83110.7178.1-58.8-75000115.4
756Q28.1Very low30.1Very low152 Ų152141.7 Ų141.771%0.7171%0.713SS**  69.111677.3-72.2-174.1-1.500112.3
757N34.2Very low30.1Very low145 Ų145140.9 Ų140.978%0.77571%0.714SS**  -164.5159.659.9-84.4-69.3000114.2
758T32Very low30.5Very low119 Ų119142.5 Ų142.573%0.7373%0.725SS**  trans-75.3177.1166.67.50000112.2
759P35.7Very low30.4Very low122 Ų122143.9 Ų143.979%0.79273%0.733SS**  cis-121165.927.841.3-27.7000115.7
760S26.4Very low30.6Very low96 Ų96140.1 Ų140.167%0.67173%0.727SS**  cis90.679.115.2-160.40000118
761Q36Very low30.5Very low190 Ų190140.4 Ų140.489%0.88873%0.731SS**  trans-147.6122.4144.4-62.4-172.6-13.100104.5
762N27.4Very low30.6Very low132 Ų132139.4 Ų139.471%0.70673%0.73SS**  cis82.3143.233.4-156.711.5000114.2
763I37.8Very low30.7Very low152 Ų152141 Ų14178%0.77973%0.731SS**  trans92.699.5-154.3-58.1157.1000109.8
764Q28.5Very low30.9Very low131 Ų131142.1 Ų142.161%0.61273%0.731SS**  cis85.6151.230.5-160169.7-0.800114.5
765Y29.9Very low30.9Very low195 Ų195142 Ų14277%0.76573%0.732SS**  trans77.5110.4-171.1-52.4-73.5000113.3
766Q29.1Very low31.1Very low146 Ų146143.1 Ų143.168%0.68274%0.74SS**  cis72.7133.410.3-150179.4-1.300116
767D28.6Very low31.3Very low130 Ų130139.7 Ų139.770%0.69575%0.745SS**  trans59107.2170.9-54.5-31.1000119.9
768I35Very low31.1Very low179 Ų179138 Ų13892%0.91874%0.744SS**  -133.8112.1112.7-59.2-173.2000108.2
769L32.9Very low31.1Very low145 Ų145140.1 Ų140.176%0.75975%0.746SS**  trans-128.8124.6169.7-177.9125.5000109.2
770S29.4Very low30.8Very low85 Ų85140 Ų14059%0.59474%0.743SS**  trans68.2147.8161-64.30000120.9
771Q29.2Very low31.1Very low183 Ų183143.1 Ų143.186%0.85575%0.747SS**  trans68.5152.9154.3-71.7172.670.400118.8
772D28.5Very low31Very low120 Ų120140.8 Ų140.864%0.64274%0.741SS**  cis-175.4171.1-21.7179.624.9000107.1
773K31.1Very low31.3Very low155 Ų155139.2 Ų139.267%0.67474%0.74SS**  trans81.9123157.2-55.5-165.4177.1170.80122
774I30.4Very low30.9Very low150 Ų150137.8 Ų137.877%0.76974%0.738SS**  73.7129.4126.5-67.8174.4000117
775S32.4Very low30.9Very low91 Ų91136.3 Ų136.364%0.63674%0.742SS**  cis-168.5163.6-0.2-115.70000115.2
776Q30.6Very low30.8Very low188 Ų188135.1 Ų135.188%0.87974%0.744SS**  trans70.3103.3144.9-72.6176.73.300123.1
777G31.5Very low30.7Very low80 Ų80135.5 Ų135.583%0.82575%0.746SS**  trans87.3152.7130.900000119
778S30.1Very low30.5Very low108 Ų108137.1 Ų137.176%0.75575%0.751SS**  cis-173.4161-16.464.20000107.7
779Q33.3Very low30.1Very low164 Ų164133.2 Ų133.277%0.76675%0.745SS**  cis-128.1165.37-67.5177.525.500109
780T29.5Very low29.8Very low119 Ų119131.8 Ų131.873%0.7375%0.748SS**  cis93.3136.127.3-34.30000115.6
781Q31.4Very low29.9Very low162 Ų162132.5 Ų132.576%0.75775%0.753SS**  trans79.3123.7173.2-55.9-161.8-45.900117.3
782N35.1Very low29.9Very low141 Ų141131.6 Ų131.675%0.75475%0.753SS**  cis-141.1179.3-10.7-73.3-37.6000106.9
783S32.3Very low30Very low99 Ų99133.1 Ų133.169%0.69276%0.761SS**  cis-154.216211-142.50000107
784V29.7Very low30Very low122 Ų122134.6 Ų134.674%0.73977%0.77SS**  cis74.9115.5231780000113.7
785S28.3Very low30Very low100 Ų100132.8 Ų132.870%0.69977%0.766SS**  cis-166-177.9-5.1-99.60000111.9
786Q29.3Very low29.9Very low170 Ų170136.3 Ų136.379%0.79478%0.777SS**  trans74.3152.7160.4-71.9-172.7-65.200119.3
787E25.5Very low29.9Very low155 Ų155134.6 Ų134.672%0.72477%0.774SS**  cis-156.8-152.8-33.9-142.3179.713000111.1
788M24.6Very low30Very low164 Ų164137 Ų13781%0.80877%0.773SS**  trans-78.8157.3-165.3-138.2169.8-64.700115.3
789A26.2Very low30Very low97 Ų97139.7 Ų139.780%0.80277%0.773SS**  trans77.8150.9162.900000119.7
790S27.6Very low29.9Very low115 Ų115137.4 Ų137.480%0.80477%0.77SS**  trans63.6106.8176.4-159.50000118.2
791S32.4Very low29.9Very low100 Ų100139.3 Ų139.370%0.69977%0.77SS**  trans-171.271.7144.7-80.70000110.5
792D29.1Very low29.8Very low163 Ų163138.3 Ų138.387%0.87277%0.769SS**  trans-57.9156.2144.4-81.4-66.8000109.2
793L30.4Very low29.6Very low152 Ų152138.6 Ų138.680%0.79677%0.766SS**  trans67.758.6172.7-154.579.6000117V795L793-V795 VanDerWaalsContact C-N 3.33Å; L793-V795 HydrophobicContact CD1-CB 4.4Å; L793-V795 HydrophobicContact CD1-CG2 4.02Å
794Q30.3Very low29.5Very low187 Ų187142.5 Ų142.587%0.87477%0.773SS**  trans-94.668.3144.9-74.4-160.430.500111.2
795V30.9Very low29.5Very low111 Ų111145.6 Ų145.667%0.67377%0.773SS**  trans-86.9149.91601740000108.5L793L793-V795 VanDerWaalsContact C-N 3.33Å; L793-V795 HydrophobicContact CD1-CB 4.4Å; L793-V795 HydrophobicContact CD1-CG2 4.02Å
796L30.7Very low29.9Very low166 Ų166146.1 Ų146.187%0.86977%0.774SS**SBendtrans92.7135.6167.4-14771.3000117.3
797N29Very low30Very low152 Ų152145.6 Ų145.681%0.81377%0.772SS**  trans74.943.6163.6-144.327.5000119.4
798T35.5Very low30.6Very low131 Ų131143.8 Ų143.880%0.80477%0.771SS**  trans-97.2128.4143.8-67.50000109.2V800T798-V800 PolarHBondContact O-N 3.42Å
799Q29.4Very low31.1Very low164 Ų164144.3 Ų144.377%0.76677%0.769SS**  trans-70.297.1-178.4-179.6-178.483.300110.6Q801Q799-Q801 PolarHBondContact O-N 3.35Å; Q799-Q801 VanDerWaalsContact O-N 3.08Å
800V30.8Very low31.6Very low115 Ų115149.9 Ų149.970%0.69777%0.77SS**  trans-65.8108.9167.8179.50000108.1T798 I802T798-V800 PolarHBondContact O-N 3.42Å; V800-I802 VanDerWaalsContact C-N 3.3Å; V800-I802 HydrophobicContact CG1-CG1 4.03Å; V800-I802 PolarHBondContact O-N 3.29Å
801Q29.1Very low32.6Very low159 Ų159151.4 Ų151.474%0.74376%0.759SS**  trans-66.297.2159.5-74.9-1681.300107.5Q799 Q803Q799-Q801 PolarHBondContact O-N 3.35Å; Q799-Q801 VanDerWaalsContact O-N 3.08Å; Q801-Q803 PolarHBondContact O-N 3.3Å
802I30.7Very low33.7Very low142 Ų142151.4 Ų151.473%0.72875%0.751SS**  trans-67.389.3167.3-58.2175.8000106.1V800 Q804V800-I802 VanDerWaalsContact C-N 3.3Å; V800-I802 HydrophobicContact CG1-CG1 4.03Å; V800-I802 PolarHBondContact O-N 3.29Å; I802-Q804 PolarHBondContact O-N 2.77Å
803Q30.2Very low35.5Very low147 Ų147149.6 Ų149.669%0.68774%0.74SS**  trans-64.6109.9169.9-170172.49500106.5Q801 Y805Q801-Q803 PolarHBondContact O-N 3.3Å; Q803-Y805 WeakPolarHBondContact O-CD2 3.46Å; Q803-Y805 PolarHBondContact O-N 2.93Å
804Q30Very low36.9Very low180 Ų180151 Ų15184%0.84174%0.735SS**  trans-77.386.6-160.5-169.8170.6-200111.1I802I802-Q804 PolarHBondContact O-N 2.77Å
805Y29.6Very low39Very low187 Ų187144.5 Ų144.573%0.73371%0.707SS**PPolyproline II helixtrans-56.5139.1166.9-70.6-87.9000109.7Q803 E807Q803-Y805 WeakPolarHBondContact O-CD2 3.46Å; Q803-Y805 PolarHBondContact O-N 2.93Å; Y805-E807 PolarHBondContact O-N 3.05Å
806P35.9Very low41Very low112 Ų112143.8 Ų143.873%0.72770%0.697SS**PPolyproline II helixtrans-68.5119.5178.127.8-33.2000109.7V808P806-V808 PolarHBondContact O-N 2.86Å
807E31.6Very low43.2Very low159 Ų159139.7 Ų139.774%0.74368%0.679SS**PPolyproline II helixtrans-59121167.5-75.6-165.4130.400109.3Y805 F809Y805-E807 PolarHBondContact O-N 3.05Å; E807-F809 HydrophobicContact CB-CD2 4.1Å; E807-F809 HydrophobicContact CB-CE2 4.32Å; E807-F809 PolarHBondContact O-N 2.86Å; E807-F809 WeakPolarHBondContact OE2-CE2 3.45Å
808V38.6Very low45.4Very low116 Ų116137.8 Ų137.870%0.70367%0.666SS**  trans-74.484.7170.3-178.10000107.4P806 Y810P806-V808 PolarHBondContact O-N 2.86Å; V808-Y810 WeakPolarHBondContact O-CD2 3.34Å; V808-Y810 PolarHBondContact O-N 2.65Å
809F35.4Very low47.4Very low175 Ų175136.4 Ų136.477%0.76865%0.651SS**  trans-58.8101.6170.6-101.7-99.5000109.3E807 R811E807-F809 HydrophobicContact CB-CD2 4.1Å; E807-F809 HydrophobicContact CB-CE2 4.32Å; E807-F809 PolarHBondContact O-N 2.86Å; E807-F809 WeakPolarHBondContact OE2-CE2 3.45Å; F809-R811 PolarHBondContact O-N 3.39Å; F809-R811 VanDerWaalsContact O-N 3.14Å
810Y35.9Very low49.7Very low214 Ų214133.3 Ų133.384%0.83964%0.639SS**  trans-60115.9167.8-77.8-93000108.4V808V808-Y810 WeakPolarHBondContact O-CD2 3.34Å; V808-Y810 PolarHBondContact O-N 2.65Å
811R49.1Very low52.1Low147 Ų147130.8 Ų130.856%0.55562%0.624SS**  trans-62.2141.4165.5-82.6-171.8165.3-150.3-3.6108.4F809 I813 E816 E819F809-R811 PolarHBondContact O-N 3.39Å; F809-R811 VanDerWaalsContact O-N 3.14Å; R811-I813 PolarHBondContact O-N 2.8Å; R811-I813 VanDerWaalsContact O-N 3.14Å; R811-E816 HydrophobicContact CB-CG 4.42Å; R811-E819 IonicContact NH1-OE1 2.86Å; R811-E819 PolarHBondContact NH1-OE1 2.69Å; R811-E819 IonicContact NH1-OE2 3.33Å; R811-E819 PolarHBondContact NH1-OE2 3.12Å
812D54.8Low54.4Low100 Ų100129.8 Ų129.854%0.53562%0.619SS.*  trans-55.9121.1168.8174.55000108.5R814 T815D812-R814 PolarHBondContact O-N 2.84Å; D812-R814 VanDerWaalsContact OD1-CB 3.23Å; D812-R814 WeakPolarHBondContact OD1-CB 3.32Å; D812-R814 PolarHBondContact OD1-N 3.38Å; D812-R814 WeakPolarHBondContact OD2-CB 3.43Å; D812-T815 WeakPolarHBondContact O-CA 3.43Å; D812-T815 WeakPolarHBondContact O-CB 3.21Å; D812-T815 PolarHBondContact O-N 2.81Å; D812-T815 PolarHBondContact O-OG1 3.46Å
813I67.2Low56.6Low125 Ų125128.3 Ų128.364%0.64161%0.609SS**Hα-helixtrans-52.1-30.8-179.9-62.6168.7000110.8R811 T815 E816 V817R811-I813 PolarHBondContact O-N 2.8Å; R811-I813 VanDerWaalsContact O-N 3.14Å; I813-T815 PolarHBondContact O-N 3.32Å; I813-E816 PolarHBondContact O-N 3.13Å; I813-V817 HydrophobicContact CG2-CG2 4.18Å; I813-V817 WeakPolarHBondContact O-CB 3.5Å; I813-V817 VanDerWaalsContact O-CG2 3.31Å; I813-V817 WeakPolarHBondContact O-CG2 3.31Å; I813-V817 PolarHBondContact O-N 3.41Å
814R61.1Low58.4Low183 Ų183129.2 Ų129.269%0.69161%0.606SS**Hα-helixtrans-59.4-31.9174.1-166.7-179.5-176.1-178.81113D812 M818D812-R814 PolarHBondContact O-N 2.84Å; D812-R814 VanDerWaalsContact OD1-CB 3.23Å; D812-R814 WeakPolarHBondContact OD1-CB 3.32Å; D812-R814 PolarHBondContact OD1-N 3.38Å; D812-R814 WeakPolarHBondContact OD2-CB 3.43Å; R814-M818 WeakPolarHBondContact O-CG 3.21Å; R814-M818 PolarHBondContact O-N 3.13Å; R814-M818 VanDerWaalsContact O-N 3.16Å
815T74.6Confident60.4Low49 Ų49127.4 Ų127.430%0.30160%0.596SS.*Hα-helixtrans-72.9-49.3178-49.50000110.8D812 I813 V817 M818 E819D812-T815 WeakPolarHBondContact O-CA 3.43Å; D812-T815 WeakPolarHBondContact O-CB 3.21Å; D812-T815 PolarHBondContact O-N 2.81Å; D812-T815 PolarHBondContact O-OG1 3.46Å; I813-T815 PolarHBondContact O-N 3.32Å; T815-V817 VanDerWaalsContact C-N 3.33Å; T815-V817 PolarHBondContact O-N 2.83Å; T815-M818 WeakPolarHBondContact O-CB 3.47Å; T815-M818 PolarHBondContact O-N 2.88Å; T815-M818 VanDerWaalsContact O-N 3.07Å; T815-E819 PolarHBondContact O-N 3.44Å
816E72.1Confident62.5Low96 Ų96121.4 Ų121.445%0.44958%0.581SS.*Hα-helixtrans-61.5-42.3177.9-63.1-171.8157.300111.4R811 I813 M818 E819 L820R811-E816 HydrophobicContact CB-CG 4.42Å; I813-E816 PolarHBondContact O-N 3.13Å; E816-M818 VanDerWaalsContact C-N 3.29Å; E816-M818 PolarHBondContact O-N 3.43Å; E816-E819 PolarHBondContact O-N 3.03Å; E816-L820 WeakPolarHBondContact O-CB 3.37Å; E816-L820 WeakPolarHBondContact O-CG 3.47Å; E816-L820 PolarHBondContact O-N 3.44Å
817V76.3Confident64Low81 Ų81119.3 Ų119.349%0.49156%0.564SS.*Hα-helixtrans-62.7-34.4174.9172.20000111.8I813 T815 T821I813-V817 HydrophobicContact CG2-CG2 4.18Å; I813-V817 WeakPolarHBondContact O-CB 3.5Å; I813-V817 VanDerWaalsContact O-CG2 3.31Å; I813-V817 WeakPolarHBondContact O-CG2 3.31Å; I813-V817 PolarHBondContact O-N 3.41Å; T815-V817 VanDerWaalsContact C-N 3.33Å; T815-V817 PolarHBondContact O-N 2.83Å; V817-T821 WeakPolarHBondContact O-CB 3.46Å; V817-T821 PolarHBondContact O-N 3.42Å; V817-T821 PolarHBondContact O-OG1 3.47Å
818M75.3Confident64.9Low111 Ų111118 Ų11855%0.54756%0.558SS.*Hα-helixtrans-72-41.6173.1-78.3-168.7-58.800113R814 T815 E816 T821 Q822R814-M818 WeakPolarHBondContact O-CG 3.21Å; R814-M818 PolarHBondContact O-N 3.13Å; R814-M818 VanDerWaalsContact O-N 3.16Å; T815-M818 WeakPolarHBondContact O-CB 3.47Å; T815-M818 PolarHBondContact O-N 2.88Å; T815-M818 VanDerWaalsContact O-N 3.07Å; E816-M818 VanDerWaalsContact C-N 3.29Å; E816-M818 PolarHBondContact O-N 3.43Å; M818-T821 PolarHBondContact O-N 3.3Å; M818-Q822 WeakPolarHBondContact O-CB 3.47Å; M818-Q822 PolarHBondContact O-N 3.07Å
819E77.9Confident65.5Low103 Ų103115.8 Ų115.848%0.48156%0.558SS.*Hα-helixtrans-63.2-46.4176.3-73.8179.6136.800110.9R811 T815 E816 T821 Q822 E823R811-E819 IonicContact NH1-OE1 2.86Å; R811-E819 PolarHBondContact NH1-OE1 2.69Å; R811-E819 IonicContact NH1-OE2 3.33Å; R811-E819 PolarHBondContact NH1-OE2 3.12Å; T815-E819 PolarHBondContact O-N 3.44Å; E816-E819 PolarHBondContact O-N 3.03Å; E819-T821 PolarHBondContact O-N 2.88Å; E819-Q822 WeakPolarHBondContact O-CB 3.44Å; E819-Q822 PolarHBondContact O-N 3.33Å; E819-E823 PolarHBondContact O-N 3.49Å
820L76.8Confident66.1Low99 Ų99113.4 Ų113.452%0.51855%0.548SS..Hα-helixtrans-64.5-36.8174.9-68.5169.4000112.6E816 E823 W824E816-L820 WeakPolarHBondContact O-CB 3.37Å; E816-L820 WeakPolarHBondContact O-CG 3.47Å; E816-L820 PolarHBondContact O-N 3.44Å; L820-E823 PolarHBondContact O-N 3.02Å; L820-W824 WeakPolarHBondContact O-CB 3.4Å; L820-W824 PolarHBondContact O-N 3.03Å
821T82.9Confident66.2Low62 Ų62112.5 Ų112.538%0.3855%0.548SS..Hα-helixtrans-68.3-36174.5-61.70000112.1V817 M818 E819 K825V817-T821 WeakPolarHBondContact O-CB 3.46Å; V817-T821 PolarHBondContact O-N 3.42Å; V817-T821 PolarHBondContact O-OG1 3.47Å; M818-T821 PolarHBondContact O-N 3.3Å; E819-T821 PolarHBondContact O-N 2.88Å; T821-K825 HydrophobicContact CG2-CD 4.44Å; T821-K825 WeakPolarHBondContact O-CB 3.21Å; T821-K825 WeakPolarHBondContact O-CG 3.29Å; T821-K825 PolarHBondContact O-N 3.17Å; T821-K825 VanDerWaalsContact O-N 3.13Å
822Q75.8Confident65.9Low138 Ų138111.9 Ų111.965%0.64556%0.563SS**Hα-helixtrans-63.9-47.4170.9-89.3-79.6-12.100111.1M818 E819 K825 S826M818-Q822 WeakPolarHBondContact O-CB 3.47Å; M818-Q822 PolarHBondContact O-N 3.07Å; E819-Q822 WeakPolarHBondContact O-CB 3.44Å; E819-Q822 PolarHBondContact O-N 3.33Å; Q822-K825 PolarHBondContact O-N 3.04Å; Q822-S826 WeakPolarHBondContact O-CB 3.42Å; Q822-S826 PolarHBondContact O-N 3.43Å
823E76.7Confident65Low110 Ų110112.7 Ų112.751%0.51457%0.572SS.*Hα-helixtrans-63.6-44.1178.8177.8159.1-160.200112.1E819 L820 K825 S826 N827E819-E823 PolarHBondContact O-N 3.49Å; L820-E823 PolarHBondContact O-N 3.02Å; E823-K825 VanDerWaalsContact C-N 3.33Å; E823-K825 PolarHBondContact O-N 3.22Å; E823-S826 CarbonylContact O-C 3.6Å; E823-S826 WeakPolarHBondContact O-CA 3.39Å; E823-S826 WeakPolarHBondContact O-CB 3.39Å; E823-S826 PolarHBondContact O-N 3.37Å; E823-N827 VanDerWaalsContact CG-ND2 3.26Å; E823-N827 WeakPolarHBondContact CG-ND2 3.48Å; E823-N827 WeakPolarHBondContact O-CB 3.27Å; E823-N827 PolarHBondContact O-N 3.01Å; E823-N827 PolarHBondContact OE1-ND2 2.82Å; E823-N827 VanDerWaalsContact OE1-ND2 3.12Å
824W69.1Low63.6Low167 Ų167117.6 Ų117.663%0.63358%0.582SS**Hα-helixtrans-59.7-43.2176.3-172.585.9000111.8L820 S826 N827 Q828L820-W824 WeakPolarHBondContact O-CB 3.4Å; L820-W824 PolarHBondContact O-N 3.03Å; W824-S826 VanDerWaalsContact C-N 3.34Å; W824-S826 PolarHBondContact O-N 3.24Å; W824-N827 PolarHBondContact O-N 3.37Å; W824-Q828 HydrophobicContact CD2-CG 4.39Å; W824-Q828 HydrophobicContact CE3-CG 4.25Å; W824-Q828 HydrophobicContact CZ3-CG 4.35Å; W824-Q828 VanDerWaalsContact O-CG 3.26Å; W824-Q828 WeakPolarHBondContact O-CG 3.47Å; W824-Q828 PolarHBondContact O-N 3.15Å
825K71.9Confident62.1Low141 Ų141119.1 Ų119.161%0.61359%0.588SS**Hα-helixtrans-64.6-34172.7-75177.5178.4177.90112.9T821 Q822 E823T821-K825 HydrophobicContact CG2-CD 4.44Å; T821-K825 WeakPolarHBondContact O-CB 3.21Å; T821-K825 WeakPolarHBondContact O-CG 3.29Å; T821-K825 PolarHBondContact O-N 3.17Å; T821-K825 VanDerWaalsContact O-N 3.13Å; Q822-K825 PolarHBondContact O-N 3.04Å; E823-K825 VanDerWaalsContact C-N 3.33Å; E823-K825 PolarHBondContact O-N 3.22Å
826S73.1Confident60.2Low61 Ų61124.6 Ų124.643%0.42761%0.614SS.*Hα-helixtrans-69.2-37.7174.7-177.30000112.5Q822 E823 W824 K830Q822-S826 WeakPolarHBondContact O-CB 3.42Å; Q822-S826 PolarHBondContact O-N 3.43Å; E823-S826 CarbonylContact O-C 3.6Å; E823-S826 WeakPolarHBondContact O-CA 3.39Å; E823-S826 WeakPolarHBondContact O-CB 3.39Å; E823-S826 PolarHBondContact O-N 3.37Å; W824-S826 VanDerWaalsContact C-N 3.34Å; W824-S826 PolarHBondContact O-N 3.24Å; S826-K830 VanDerWaalsContact O-CE 3.24Å; S826-K830 WeakPolarHBondContact O-CE 3.21Å; S826-K830 PolarHBondContact O-NZ 3.49Å; S826-K830 PolarHBondContact OG-NZ 3.48Å
827N67.5Low58.1Low68 Ų68124.2 Ų124.236%0.36462%0.622SS.*Hα-helixtrans-85.6-22.3-175.6-71.2-24.3000113.5E823 W824 G829 K830E823-N827 VanDerWaalsContact CG-ND2 3.26Å; E823-N827 WeakPolarHBondContact CG-ND2 3.48Å; E823-N827 WeakPolarHBondContact O-CB 3.27Å; E823-N827 PolarHBondContact O-N 3.01Å; E823-N827 PolarHBondContact OE1-ND2 2.82Å; E823-N827 VanDerWaalsContact OE1-ND2 3.12Å; W824-N827 PolarHBondContact O-N 3.37Å; N827-G829 PolarHBondContact O-N 3.04Å; N827-K830 PolarHBondContact O-N 3.48Å; N827-K830 PolarHBondContact OD1-NZ 3.06Å
828Q50.7Low56.1Low132 Ų132128.2 Ų128.262%0.61764%0.64SS**THydrogen-bonded Turntrans-48.7-28.9166.6-81-90-5.100113.7W824W824-Q828 HydrophobicContact CD2-CG 4.39Å; W824-Q828 HydrophobicContact CE3-CG 4.25Å; W824-Q828 HydrophobicContact CZ3-CG 4.35Å; W824-Q828 VanDerWaalsContact O-CG 3.26Å; W824-Q828 WeakPolarHBondContact O-CG 3.47Å; W824-Q828 PolarHBondContact O-N 3.15Å
829G51.5Low54Low69 Ų69127.3 Ų127.371%0.71165%0.645SS**THydrogen-bonded Turntrans-83-9.6179.300000116.6N827N827-G829 PolarHBondContact O-N 3.04Å
830K47.1Very low52Low126 Ų126130.1 Ų130.155%0.54866%0.662SS.*  trans-111.6105.6-162.4-61.6172.2-162152.60112.6S826 N827 P832S826-K830 VanDerWaalsContact O-CE 3.24Å; S826-K830 WeakPolarHBondContact O-CE 3.21Å; S826-K830 PolarHBondContact O-NZ 3.49Å; S826-K830 PolarHBondContact OG-NZ 3.48Å; N827-K830 PolarHBondContact O-N 3.48Å; N827-K830 PolarHBondContact OD1-NZ 3.06Å; K830-P832 WeakPolarHBondContact O-CD 3.34Å
831K38.8Very low50Low195 Ų195131.2 Ų131.285%0.84868%0.675SS**  trans-77.6114.8176.9-65.6177.2-178.4174.40111.8T833K831-T833 PolarHBondContact O-OG1 2.84Å
832P42.2Very low47.5Very low133 Ų133131.7 Ų131.786%0.86469%0.692SS**  trans-73.2134.6-179.129.5-34.6000112.1K830K830-P832 WeakPolarHBondContact O-CD 3.34Å
833T37Very low45.6Very low118 Ų118134.6 Ų134.672%0.72470%0.703SS**  trans-130.7108.8-172.2-600000113.6K831K831-T833 PolarHBondContact O-OG1 2.84Å
834R36.6Very low43.7Very low227 Ų227138.5 Ų138.586%0.85772%0.721SS**  trans58.2113.4154-67179.5172174.9-1.8121.8
835R30.8Very low42Very low216 Ų216134.5 Ų134.582%0.81573%0.731SS**  43.3116.9127.9-63.1-172.6179.7-165.30.2121.1
836L34.2Very low40.1Very low163 Ų163136.1 Ų136.185%0.85374%0.741SS**  -135149113.2-74.3100.3000108
837S28.2Very low38.2Very low88 Ų88139.9 Ų139.962%0.61576%0.761SS**  cis88.968.93.4-41.30000118.1
838L34Very low36.4Very low165 Ų165144.8 Ų144.886%0.86478%0.781SS**  trans-136.1171160.2-105.8167.2000112.8
839S30.7Very low35.8Very low93 Ų93143.6 Ų143.665%0.6579%0.785SS**  trans-156.3171-142.6-56.10000115.6
840L36.6Very low34.9Very low162 Ų162149.8 Ų149.885%0.84879%0.792SS**  trans73.9164.6165.8-88.471.3000117.5
841P35.1Very low33.9Very low122 Ų122154.9 Ų154.979%0.79281%0.808SS**  cis-133.5-177.9-29.836.9-20000113.3
842G30Very low33.7Very low71 Ų71156.7 Ų156.773%0.73281%0.811SS**  trans-138.5162.7173.900000115.5
843K36.3Very low32.9Very low199 Ų199155.3 Ų155.387%0.86581%0.805SS**  trans-146.4115.2168.1-84.3-176.3178.3175.10108.6
844H35.8Very low32.9Very low193 Ų193155.7 Ų155.789%0.89481%0.807SS**  72103.191.5-88.9-69.6000115.9
845G34.4Very low32.5Very low83 Ų83151.4 Ų151.486%0.85680%0.801SS**  trans-166.6122163.300000108.8
846Q31.8Very low32.8Very low174 Ų174148.9 Ų148.981%0.81380%0.802SS**  trans-130.6119.2-161.2179-169.948.400112.4
847V33.8Very low32.6Very low140 Ų140149.8 Ų149.885%0.84880%0.802SS**  trans-141.6117.7163.5-172.90000110.6
848H29.7Very low33Very low171 Ų171152.1 Ų152.179%0.79281%0.812SS**  trans-106152.9161.7-86.1-59.4000108.2
849P37.2Very low32.9Very low107 Ų107153.7 Ų153.770%0.69581%0.812SS**  -152.1143.499.736.1-17.5000118
850K32.3Very low33Very low199 Ų199153.6 Ų153.687%0.86581%0.812SS**  trans60.7115.7133.8-62.8173.6-177.71740121.1
851R27.4Very low32.7Very low233 Ų233154.1 Ų154.188%0.87981%0.81SS**  trans-32.4148.3151.5-48.3168.7-177.8171.8-1.7114.5
852Y32.9Very low32.7Very low234 Ų234157.3 Ų157.392%0.91881%0.811SS**  -139.6145.2119.2-103.2-79000109.5
853S27.1Very low32.9Very low103 Ų103160.5 Ų160.572%0.7282%0.819SS**  trans-122.2135173.8-169.70000107.8
854V35.3Very low32.7Very low127 Ų127162.5 Ų162.577%0.7782%0.821SS**  trans-138.5107.1175.2179.50000108
855D30.2Very low32.7Very low137 Ų137164.6 Ų164.673%0.73382%0.821SS**  trans-65140.4162.8-71.9-82.3000109.9
856L35.4Very low32.7Very low162 Ų162172 Ų17285%0.84883%0.825SS**  trans-138.6113.1155.5-144.376.3000109.5
857Q29.9Very low32.8Very low183 Ų183168.9 Ų168.986%0.85582%0.822SS**  trans-79.2129.6-176.3-60.5177.37.700110.9
858V37.4Very low33.1Very low136 Ų136170.2 Ų170.282%0.82482%0.819SS**  trans-128.798.9161.5-175.10000110.1
859K32.9Very low33.8Very low198 Ų198166.6 Ų166.686%0.86181%0.806SS**  trans-69147.3161.6167.2-171.2179-174.60108.7
860S30.8Very low34Very low91 Ų91167.8 Ų167.864%0.63681%0.806SS**  cis-122.4-174.93.247.50000109.8
861E31.5Very low34.4Very low174 Ų174165.4 Ų165.481%0.81380%0.798SS**  cis-165164.929.5-150.3152.5142.600111.3
862K34.4Very low35.1Very low189 Ų189157.3 Ų157.382%0.82278%0.777SS**  trans-145.6125.3179-84.2-170176.2-178.20113.8
863P35Very low35.7Very low138 Ų138151.9 Ų151.990%0.89676%0.758SS**  trans-73.6121.3160.5-13.629.7000111.1
864R32.4Very low36.8Very low241 Ų241150.2 Ų150.291%0.90974%0.744SS**  trans-96.9115.1164-84179.4167.8173.4-4.7109.4
865R35.4Very low37.3Very low237 Ų237148 Ų14889%0.89473%0.733SS**  trans-158.793.6152.2-75.5-155.5-171.5-150.64.7110.4
866Y33.4Very low38.1Very low237 Ų237150.9 Ų150.993%0.92973%0.734SS**  trans-164.759.4164.9-121.5-71.2000111.2
867S34Very low38.9Very low109 Ų109152.8 Ų152.876%0.76273%0.73SS**  trans-158.159.2-17258.60000113.5
868E41.6Very low39.9Very low168 Ų168151 Ų15179%0.78572%0.72SS**SBendtrans-145.7-50.2171-105.7159170.300110.9L870 Q871E868-L870 PolarHBondContact O-N 3.19Å; E868-Q871 PolarHBondContact O-N 2.74Å
869D43.2Very low41.2Very low95 Ų95147.6 Ų147.651%0.50870%0.702SS.*Hα-helixtrans-652.6176.6-173.648.9000115S872 K873D869-S872 PolarHBondContact O-OG 2.84Å; D869-S872 VanDerWaalsContact O-OG 3.11Å; D869-S872 PolarHBondContact OD1-OG 3.19Å; D869-K873 WeakPolarHBondContact O-CD 3.48Å; D869-K873 IonicContact OD1-NZ 2.62Å; D869-K873 IonicContact OD2-NZ 3.84Å; D869-K873 PolarHBondContact OD2-NZ 2.89Å
870L42.1Very low42.8Very low132 Ų132142.5 Ų142.569%0.69168%0.683SS**Hα-helixtrans-85.5-32.3170-140.773.3000112.1E868 K873 T874E868-L870 PolarHBondContact O-N 3.19Å; L870-K873 PolarHBondContact O-N 3.29Å; L870-T874 WeakPolarHBondContact O-CG2 3.41Å; L870-T874 PolarHBondContact O-N 3.2Å
871Q40.3Very low44.4Very low150 Ų150141 Ų14170%0.70167%0.668SS**Hα-helixtrans-71.8-42.6-178.3-76.1-170.9-11.800111.9E868 K873 T874 S875E868-Q871 PolarHBondContact O-N 2.74Å; Q871-K873 VanDerWaalsContact C-N 3.29Å; Q871-K873 PolarHBondContact O-N 3.09Å; Q871-T874 WeakPolarHBondContact CA-OG1 3.33Å; Q871-T874 PolarHBondContact O-N 2.91Å; Q871-T874 VanDerWaalsContact O-N 3.07Å; Q871-T874 PolarHBondContact O-OG1 3.25Å; Q871-S875 PolarHBondContact O-N 3.14Å
872S41.6Very low46.1Very low63 Ų63139.5 Ų139.544%0.44166%0.661SS.*Hα-helixtrans-50.2-48.6172.258.90000111.8D869 S875 R876D869-S872 PolarHBondContact O-OG 2.84Å; D869-S872 VanDerWaalsContact O-OG 3.11Å; D869-S872 PolarHBondContact OD1-OG 3.19Å; S872-S875 PolarHBondContact O-N 2.97Å; S872-R876 PolarHBondContact O-N 2.72Å; S872-R876 VanDerWaalsContact O-N 3.07Å
873K45.4Very low47.5Very low119 Ų119137 Ų13752%0.51765%0.652SS.*Hα-helixtrans-67.7-34.6178.3-74169.9-179154.60113D869 L870 Q871 R877D869-K873 WeakPolarHBondContact O-CD 3.48Å; D869-K873 IonicContact OD1-NZ 2.62Å; D869-K873 IonicContact OD2-NZ 3.84Å; D869-K873 PolarHBondContact OD2-NZ 2.89Å; L870-K873 PolarHBondContact O-N 3.29Å; Q871-K873 VanDerWaalsContact C-N 3.29Å; Q871-K873 PolarHBondContact O-N 3.09Å; K873-R877 PolarHBondContact O-N 2.96Å
874T51.1Low49.1Very low69 Ų69134.2 Ų134.242%0.42363%0.629SS.*Hα-helixtrans-68.7-40.2174.458.80000113.4L870 Q871 R877 K878L870-T874 WeakPolarHBondContact O-CG2 3.41Å; L870-T874 PolarHBondContact O-N 3.2Å; Q871-T874 WeakPolarHBondContact CA-OG1 3.33Å; Q871-T874 PolarHBondContact O-N 2.91Å; Q871-T874 VanDerWaalsContact O-N 3.07Å; Q871-T874 PolarHBondContact O-OG1 3.25Å; T874-R877 PolarHBondContact O-N 3.42Å; T874-K878 WeakPolarHBondContact O-CG 3.23Å; T874-K878 PolarHBondContact O-N 2.73Å
875S45.6Very low50.9Low79 Ų79128.7 Ų128.755%0.55261%0.611SS**Hα-helixtrans-68-39.9175.9-66.80000111.9Q871 S872 R877 K878 S879Q871-S875 PolarHBondContact O-N 3.14Å; S872-S875 PolarHBondContact O-N 2.97Å; S875-R877 VanDerWaalsContact C-N 3.34Å; S875-R877 PolarHBondContact O-N 3.5Å; S875-K878 PolarHBondContact O-N 3.31Å; S875-S879 PolarHBondContact O-N 3.21Å; S875-S879 VanDerWaalsContact O-N 3.13Å
876R46.4Very low52.3Low199 Ų199121 Ų12175%0.75160%0.598SS**Hα-helixtrans-64.2-37176.2-149.9174.2-167-178.84.2112.2S872 I880S872-R876 PolarHBondContact O-N 2.72Å; S872-R876 VanDerWaalsContact O-N 3.07Å; R876-I880 WeakPolarHBondContact O-CG1 3.45Å; R876-I880 PolarHBondContact O-N 2.96Å
877R52.6Low52.9Low201 Ų201120.8 Ų120.876%0.75860%0.596SS**Hα-helixtrans-64.9-42.2171.1-83-170.5172.3-166.6-2.8113.1K873 T874 S875 S879 I880 D881K873-R877 PolarHBondContact O-N 2.96Å; T874-R877 PolarHBondContact O-N 3.42Å; S875-R877 VanDerWaalsContact C-N 3.34Å; S875-R877 PolarHBondContact O-N 3.5Å; R877-S879 PolarHBondContact O-N 3.45Å; R877-I880 PolarHBondContact O-N 2.73Å; R877-D881 PolarHBondContact O-N 2.96Å
878K50.3Low53.9Low147 Ų147121.6 Ų121.664%0.63959%0.59SS**Hα-helixtrans-62.4-40.6179.5-76.3177.6177.8-178.90112.8T874 S875 Q882T874-K878 WeakPolarHBondContact O-CG 3.23Å; T874-K878 PolarHBondContact O-N 2.73Å; S875-K878 PolarHBondContact O-N 3.31Å; K878-Q882 WeakPolarHBondContact O-CB 2.93Å; K878-Q882 PolarHBondContact O-N 3.3Å
879S64.7Low53.9Low64 Ų64117.9 Ų117.945%0.44858%0.583SS.*Hα-helixtrans-61.6-43.7176.2-175.20000112.3S875 R877 Q882 Q883S875-S879 PolarHBondContact O-N 3.21Å; S875-S879 VanDerWaalsContact O-N 3.13Å; R877-S879 PolarHBondContact O-N 3.45Å; S879-Q882 PolarHBondContact O-N 3.44Å; S879-Q883 PolarHBondContact O-N 3.15Å
880I67.7Low53.8Low91 Ų91118.7 Ų118.747%0.46759%0.593SS.*Hα-helixtrans-67.4-45.5179.5-65.2169.1000111.3R876 R877 Q882 Q883 I884R876-I880 WeakPolarHBondContact O-CG1 3.45Å; R876-I880 PolarHBondContact O-N 2.96Å; R877-I880 PolarHBondContact O-N 2.73Å; I880-Q882 PolarHBondContact O-N 3.5Å; I880-Q883 PolarHBondContact O-N 3.23Å; I880-I884 HydrophobicContact CG2-CD1 3.79Å; I880-I884 HydrophobicContact CG2-CG1 4.49Å; I880-I884 WeakPolarHBondContact O-CG1 3.32Å; I880-I884 PolarHBondContact O-N 3.28Å
881D63.6Low53.4Low60 Ų60122.1 Ų122.132%0.32160%0.603SS.*Hα-helixtrans-61.9-31.2176.3-176.169.7000112.3R877 K885R877-D881 PolarHBondContact O-N 2.96Å; D881-K885 WeakPolarHBondContact O-CB 3.49Å; D881-K885 WeakPolarHBondContact O-CG 3.44Å; D881-K885 PolarHBondContact O-N 2.82Å; D881-K885 IonicContact OD1-NZ 2.86Å; D881-K885 PolarHBondContact OD1-NZ 3.15Å; D881-K885 IonicContact OD2-NZ 3.18Å; D881-K885 PolarHBondContact OD2-NZ 2.92Å
882Q68.1Low53.1Low142 Ų142124.4 Ų124.466%0.66461%0.61SS**Hα-helixtrans-76.2-36.7176.5-163.6166.311.100112.9K878 S879 I880 A886K878-Q882 WeakPolarHBondContact O-CB 2.93Å; K878-Q882 PolarHBondContact O-N 3.3Å; S879-Q882 PolarHBondContact O-N 3.44Å; I880-Q882 PolarHBondContact O-N 3.5Å; Q882-A886 PolarHBondContact O-N 2.72Å
883Q63.9Low52.7Low135 Ų135128.9 Ų128.963%0.63163%0.629SS**Hα-helixtrans-63.8-43.7169.3-75.3-174.7-13.300111.6S879 I880 K885 A886 W887S879-Q883 PolarHBondContact O-N 3.15Å; I880-Q883 PolarHBondContact O-N 3.23Å; Q883-K885 PolarHBondContact O-N 2.86Å; Q883-A886 WeakPolarHBondContact O-CB 3.32Å; Q883-A886 PolarHBondContact O-N 3.03Å; Q883-W887 PolarHBondContact O-N 3.32Å
884I68.6Low52.3Low80 Ų80130 Ų13041%0.4165%0.646SS.*Hα-helixtrans-62.4-43.2177.2-69.3169.1000110.8I880 A886 W887 I888I880-I884 HydrophobicContact CG2-CD1 3.79Å; I880-I884 HydrophobicContact CG2-CG1 4.49Å; I880-I884 WeakPolarHBondContact O-CG1 3.32Å; I880-I884 PolarHBondContact O-N 3.28Å; I884-A886 VanDerWaalsContact C-N 3.33Å; I884-A886 PolarHBondContact O-N 3.27Å; I884-W887 PolarHBondContact O-N 3.32Å; I884-I888 HydrophobicContact CG2-CD1 3.57Å; I884-I888 HydrophobicContact CG2-CG1 4.41Å; I884-I888 WeakPolarHBondContact O-CB 3.4Å; I884-I888 WeakPolarHBondContact O-CG1 3.01Å; I884-I888 PolarHBondContact O-N 3.32Å
885K68.6Low51.5Low126 Ų126133 Ų13355%0.54867%0.665SS.*Hα-helixtrans-63.1-34.5173.6-80.3-176.7176.671.70113.6D881 Q883D881-K885 WeakPolarHBondContact O-CB 3.49Å; D881-K885 WeakPolarHBondContact O-CG 3.44Å; D881-K885 PolarHBondContact O-N 2.82Å; D881-K885 IonicContact OD1-NZ 2.86Å; D881-K885 PolarHBondContact OD1-NZ 3.15Å; D881-K885 IonicContact OD2-NZ 3.18Å; D881-K885 PolarHBondContact OD2-NZ 2.92Å; Q883-K885 PolarHBondContact O-N 2.86Å
886A66Low50.9Low74 Ų74137.1 Ų137.161%0.61268%0.675SS**Hα-helixtrans-67.5-37.3174.700000112.2Q882 Q883 I884Q882-A886 PolarHBondContact O-N 2.72Å; Q883-A886 WeakPolarHBondContact O-CB 3.32Å; Q883-A886 PolarHBondContact O-N 3.03Å; I884-A886 VanDerWaalsContact C-N 3.33Å; I884-A886 PolarHBondContact O-N 3.27Å
887W46.5Very low50.3Low233 Ų233136.4 Ų136.488%0.88368%0.677SS**Hα-helixtrans-70.7-35.7176.1-113.148.4000113.6Q883 I884 S889Q883-W887 PolarHBondContact O-N 3.32Å; I884-W887 PolarHBondContact O-N 3.32Å; W887-S889 VanDerWaalsContact C-N 3.3Å; W887-S889 PolarHBondContact O-N 3.01Å
888I55Low49.4Very low127 Ų127135.6 Ų135.665%0.65168%0.682SS**THydrogen-bonded Turntrans-80.8-2.3-174.8-69.6174.6000113.1I884I884-I888 HydrophobicContact CG2-CD1 3.57Å; I884-I888 HydrophobicContact CG2-CG1 4.41Å; I884-I888 WeakPolarHBondContact O-CB 3.4Å; I884-I888 WeakPolarHBondContact O-CG1 3.01Å; I884-I888 PolarHBondContact O-N 3.32Å
889S40.5Very low48.5Very low89 Ų89136.8 Ų136.862%0.62270%0.696SS**  trans-145.368.4179.4-71.10000116.2W887W887-S889 VanDerWaalsContact C-N 3.3Å; W887-S889 PolarHBondContact O-N 3.01Å
890P41.2Very low47.2Very low112 Ų112137.4 Ų137.473%0.72771%0.705SS**PPolyproline II helixtrans-59.3134.6156.2-16.731.6000110.2K892P890-K892 PolarHBondContact O-N 2.97Å
891K34Very low45.6Very low204 Ų204144.2 Ų144.289%0.88773%0.726SS**PPolyproline II helixtrans-51.8129-168.1-66.6169.5179.1171.40114N893K891-N893 PolarHBondContact O-N 3.08Å
892K32.7Very low44.2Very low199 Ų199147 Ų14787%0.86575%0.746SS**PPolyproline II helixtrans-61.3120.1153.5-62.6178.5-179.6-1790108.5P890P890-K892 PolarHBondContact O-N 2.97Å
893N34.9Very low42.5Very low156 Ų156148.5 Ų148.583%0.83475%0.753SS**  trans169.981.9151.6-91.3-2.6000111.1K891K891-N893 PolarHBondContact O-N 3.08Å
894T36.8Very low41Very low142 Ų142147.5 Ų147.587%0.87176%0.756SS**  trans-156.1133.2142.2-67.40000106
895T34.4Very low39.2Very low133 Ų133149.2 Ų149.282%0.81677%0.77SS**  trans-148.7160.9-178.2-60.70000108.6
896E33Very low37.4Very low165 Ų165150.1 Ų150.177%0.77178%0.781SS**  trans98.1130.8159.4-145.4-179.5178.100117.5
897K33Very low35.9Very low184 Ų184155.2 Ų155.280%0.879%0.792SS**  trans69.4132-178.9-51.1-179.2-177174.10114.5
898Q33.6Very low35.1Very low184 Ų184151.9 Ų151.986%0.8679%0.791SS**  cis-133.2119.119.6-69.9167.9-115.800113.5
899D32.4Very low34.2Very low172 Ų172149.9 Ų149.992%0.9279%0.786SS**  trans-116.198.1154.5-91.2-49.9000107.8
900A36.8Very low33.9Very low78 Ų78152.7 Ų152.765%0.64579%0.789SS**  trans169.8109.8160.100000110.9
901Y33.4Very low33.5Very low233 Ų233154.7 Ų154.791%0.91479%0.789SS**  -172.4155.4109.9-111.8-82.1000109.7
902T34.1Very low33.2Very low119 Ų119152.5 Ų152.573%0.7378%0.782SS**  trans-119.4146.4-156.3-26.50000113.6
903Q32.1Very low33.1Very low174 Ų174146.6 Ų146.681%0.81377%0.77SS**  trans81.7140.6140.7-135.1167.8-0.500120.5
904T32.6Very low32.7Very low114 Ų114147.2 Ų147.270%0.69977%0.768SS**  trans96.681.8151.9-29.90000118.5
905T31.7Very low32.2Very low116 Ų116146.8 Ų146.871%0.71276%0.76SS**  23.1123.4116.7-28.30000118.1
906D30.9Very low32.1Very low145 Ų145148.9 Ų148.978%0.77576%0.761SS**  172.116394.3-125.5-41.5000114.8
907Q33.5Very low31.9Very low181 Ų181149.3 Ų149.385%0.84676%0.763SS**  trans74.1103.7164.9-57.2-169.795.900123
908L29.9Very low31.6Very low163 Ų163145.5 Ų145.585%0.85376%0.755SS**  -14.4178.8123.8-107.366000119.1
909P36.7Very low31.3Very low85 Ų85144.6 Ų144.655%0.55275%0.751SS**  cis-143.5-168.2-5.522.85.7000116.7
910H33.9Very low31Very low148 Ų148143.2 Ų143.269%0.68574%0.743SS**  trans80.8114.8155.4-60.9-54.5000119.2
911Q33.2Very low30.7Very low153 Ų153147.9 Ų147.972%0.71575%0.752SS**  95.6157.276.4-84.7-177.7-65.400112.7
912Q28.4Very low30.4Very low159 Ų159144.8 Ų144.874%0.74375%0.746SS**  cis166.3126.3-32.9167.6-176-12.200106.6
913A29.5Very low30.1Very low75 Ų75143.2 Ų143.262%0.6275%0.745SS**  trans60165164.800000117.3
914E26.1Very low29.9Very low169 Ų169143 Ų14379%0.7974%0.744SS**  cis-154.9176.9-27.4-107.9162.8132.500106.4
915D27.4Very low29.7Very low133 Ų133142.4 Ų142.471%0.71174%0.737SS**  trans48.5109.6161.2-57.8-20.9000121.2
916Q31.9Very low29.6Very low177 Ų177143.4 Ų143.483%0.82773%0.733SS**  171.9103.9112.3-92.4151.946.400114.3
917Q28Very low29.6Very low173 Ų173144.7 Ų144.781%0.80873%0.734SS**  26.4151.5111.9-154.4178.9-4.900120.9
918T27.8Very low29.4Very low105 Ų105139.1 Ų139.164%0.64472%0.719SS**  trans86.695.4154.22.90000119.1
919E26.8Very low29.5Very low165 Ų165137.7 Ų137.777%0.77171%0.713SS**  66.7119.8110.5-148.5172134.600121.3
920D26Very low29.3Very low142 Ų142139.4 Ų139.476%0.75972%0.717SS**  trans24.5101.6147.4-61.2-13.3000120.6
921Q30.6Very low28.9Very low176 Ų176139.7 Ų139.782%0.82272%0.719SS**  -142.9120.4129.7-107.6124.999.600108.8
922Q26.9Very low28.6Very low168 Ų168141 Ų14179%0.78573%0.725SS**  cis104.1101.745.8-179.3-179.27.500110.5
923A27.2Very low28.6Very low86 Ų86137.2 Ų137.271%0.71172%0.721SS**  trans69.3165.2151.800000119.6
924Q29.1Very low28.8Very low171 Ų171142.1 Ų142.180%0.79973%0.728SS**  trans73.6124.6168.4-53.5-141.8-94.800117.5
925D29.3Very low29.1Very low101 Ų101142.8 Ų142.854%0.5473%0.731SS.*  cis-162.8168.1-18.4-131.1-49.2000111.1
926Q29.5Very low29.1Very low137 Ų137143.5 Ų143.564%0.6473%0.731SS**  trans43.2120.1147.7-77.9146.655.700120.2
927Q29.6Very low29.1Very low171 Ų171140.6 Ų140.680%0.79973%0.725SS**  81.1142.1119.7-161.9165.9-9.900115.5
928A30.3Very low29.1Very low64 Ų64138.1 Ų138.153%0.52972%0.724SS.*  cis-146.2177.61200000111.4
929D32.3Very low28.9Very low134 Ų134138 Ų13872%0.71772%0.723SS**  37.3130.4129.9-44.2-11.2000119
930D30.7Very low28.8Very low121 Ų121138.4 Ų138.465%0.64773%0.725SS**  cis-158.21651.9-130.3-19.7000116.3
931Q27.1Very low28.8Very low153 Ų153140.1 Ų140.172%0.71573%0.728SS**  trans-38.6168.1165.3-58.6159.477.100116.9
932Q26.5Very low28.5Very low180 Ų180135.7 Ų135.784%0.84172%0.717SS**  trans7294.4136.7-174.6177.831.300118.7
933A29.1Very low28.4Very low81 Ų81135 Ų13567%0.66971%0.713SS**  160.7138.299.400000114.7
934K33.6Very low28.5Very low177 Ų177136.9 Ų136.977%0.7771%0.712SS**  trans66147.7163.9-59.2168.5178.9-175.60116.4
935E32.3Very low28.5Very low183 Ų183135.9 Ų135.986%0.85571%0.707SS**  cis-86.3136.8-6.9-64.9149.3108.600109.2
936E25.5Very low28.5Very low148 Ų148139.4 Ų139.469%0.69272%0.72SS**  54.9103.466.4-65.5-175.5130.500111.3
937V33.5Very low28.5Very low116 Ų116138.5 Ų138.570%0.70372%0.718SS**  57.7106.552.1-172.10000109.7V939V937-V939 HydrophobicContact CG1-CB 4.33Å; V937-V939 HydrophobicContact CG1-CG2 3.64Å
938P27.3Very low28.6Very low122 Ų122138.7 Ų138.779%0.79272%0.717SS**  -120157.669.3418.8000114.4
939V24.5Very low28.7Very low103 Ų103141.2 Ų141.262%0.62472%0.721SS**  cis77.490.834.8173.80000113.4V937V937-V939 HydrophobicContact CG1-CB 4.33Å; V937-V939 HydrophobicContact CG1-CG2 3.64Å
940Q24.5Very low28.7Very low173 Ų173141.6 Ų141.681%0.80872%0.719SS**  57.987112.4-168.4-176-25.500117.9
941Q25.6Very low28.6Very low177 Ų177143.6 Ų143.683%0.82772%0.721SS**  trans-153.3125.4145.5-98.2170.6-46.700105.7
942S24.4Very low29Very low84 Ų84142.1 Ų142.159%0.58773%0.728SS**  cis57.210526.6-160.50000112.8
943Q24.3Very low29.2Very low153 Ų153138.4 Ų138.472%0.71571%0.713SS**  trans64.5153.4176.4-65.5131.7-44.500113.7
944D29Very low29.3Very low126 Ų126141.1 Ų141.167%0.67471%0.712SS**  cis-119.8145.71.3-77.3-66.9000109.2
945E28.9Very low29.6Very low150 Ų150139.6 Ų139.670%0.70171%0.712SS**  51.368.573.3-157.1-178.6127.200114.1I947E945-I947 HydrophobicContact CG-CD1 3.81Å; E945-I947 HydrophobicContact CG-CG1 4.26Å
946Q29.4Very low29.9Very low175 Ų175135.9 Ų135.982%0.81870%0.698SS**  trans-145.4113.3142.9-113.1138.610000108.6
947I30.7Very low30.4Very low118 Ų118136 Ų13661%0.60570%0.702SS**  53.77957.8-45.6169.8000109.6E945E945-I947 HydrophobicContact CG-CD1 3.81Å; E945-I947 HydrophobicContact CG-CG1 4.26Å
948K31.5Very low30.7Very low175 Ų175134.9 Ų134.976%0.76170%0.697SS**  -159.4129.2115.2-99.8-179.6173.7169.60107.7
949D32.5Very low31Very low117 Ų117136.4 Ų136.463%0.62669%0.694SS**  52.3136.187.6-76.4-44.8000111.9
950Q31.8Very low31.4Very low142 Ų142138.4 Ų138.466%0.66470%0.697SS**  cis167.8134.16.9175.7178.6110.900102.8
951K29.5Very low31.9Very low162 Ų162137.7 Ų137.770%0.70469%0.693SS**  trans5283.4143.5-166.3-172.3176.6-178.30117I953K951-I953 HydrophobicContact CG-CD1 3.97Å; K951-I953 HydrophobicContact CG-CG1 3.78Å; K951-I953 VanDerWaalsContact O-CD1 3.24Å; K951-I953 WeakPolarHBondContact O-CD1 3.31Å
952S34.3Very low32.7Very low123 Ų123133.7 Ų133.786%0.8668%0.682SS**  trans-121.1102.3138.5-75.10000106.9
953I31.3Very low33.1Very low102 Ų102136.1 Ų136.152%0.52369%0.689SS.*  80.4124.556.9-63.3167000110.8K951K951-I953 HydrophobicContact CG-CD1 3.97Å; K951-I953 HydrophobicContact CG-CG1 3.78Å; K951-I953 VanDerWaalsContact O-CD1 3.24Å; K951-I953 WeakPolarHBondContact O-CD1 3.31Å
954E30.4Very low33.7Very low137 Ų137134.7 Ų134.764%0.6469%0.686SS**  trans63.4139.1169.4-71.2164.9116.800114.5L956E954-L956 HydrophobicContact CB-CD1 4.48Å; E954-L956 HydrophobicContact CB-CG 4.07Å; E954-L956 HydrophobicContact CG-CD2 4.17Å; E954-L956 HydrophobicContact CG-CG 3.95Å; E954-L956 WeakPolarHBondContact OE1-CD2 3.22Å
955N40.4Very low34Very low146 Ų146138 Ų13878%0.78169%0.689SS**  cis-122.2129.547.4-67.8-72.5000111.6
956L39.5Very low34.4Very low105 Ų105138.1 Ų138.155%0.5569%0.689SS.*  62.913073.5-63.8178.1000112.3E954E954-L956 HydrophobicContact CB-CD1 4.48Å; E954-L956 HydrophobicContact CB-CG 4.07Å; E954-L956 HydrophobicContact CG-CD2 4.17Å; E954-L956 HydrophobicContact CG-CG 3.95Å; E954-L956 WeakPolarHBondContact OE1-CD2 3.22Å
957L35.1Very low34.6Very low149 Ų149137.2 Ų137.278%0.7869%0.69SS**  cis-152.8-152.7-18.6-156.470.1000106.8
958P39.3Very low35Very low93 Ų93140.8 Ų140.860%0.60470%0.704SS**  trans-98-163.8-140.942.3-22000111.5
959E34.4Very low35.2Very low154 Ų154135 Ų13572%0.7270%0.695SS**  -147139.368.2-70-98.873.900110.7
960E32.6Very low35.3Very low146 Ų146138.2 Ų138.268%0.68271%0.706SS**  trans51.3146138.3-56.5-155.213100121.4
961H36Very low35.3Very low157 Ų157139.1 Ų139.173%0.72771%0.71SS**  cis-148.7173.513.8-124.47.2000110
962P40.6Very low35.5Very low93 Ų93136.3 Ų136.360%0.60471%0.711SS**  trans-114.8154.9-145.240.6-33.7000117.2
963N33.9Very low35.5Very low136 Ų136138.3 Ų138.373%0.72771%0.712SS**  trans61.6147.6134.7-75.326.2000123.3
964D36.9Very low35.7Very low122 Ų122141.2 Ų141.265%0.65272%0.721SS**  trans66.7135.3143.7-65.6-34000119.2
965R34.9Very low35.6Very low195 Ų195142.3 Ų142.374%0.73673%0.726SS**  cis-171.3172.2-18.7-132.3178.6-164.2-160.26.2110.3
966E37.5Very low35.1Very low153 Ų153144.2 Ų144.272%0.71573%0.731SS**  trans71135.2153.9-73.5155.1-165.400117.6
967D34.2Very low35.1Very low157 Ų157143.4 Ų143.484%0.8473%0.732SS**  trans-57.7158.8175.5-58-103.1000113.7
968E38.2Very low35.3Very low192 Ų192141.8 Ų141.890%0.89773%0.73SS**  trans-160160.7131.7-109.1-73.281.200111.7
969G36.5Very low34.9Very low55 Ų55145.2 Ų145.257%0.56774%0.738SS**  trans-51.8140.1-167.800000120.1
970Q33.5Very low34.7Very low183 Ų183144.6 Ų144.686%0.85574%0.735SS**  57.2118.3119.9-78.9-178.7-20.600121
971Q33Very low34.8Very low161 Ų161145.5 Ų145.575%0.75274%0.739SS**  99105.4115.9-167.9175.2-74.900121
972S32.3Very low34.7Very low104 Ų104142.1 Ų142.173%0.72774%0.738SS**  trans66.484140.1-58.40000121.4
973D34.4Very low34.3Very low165 Ų165145.9 Ų145.988%0.88275%0.748SS**  trans-86.4139.4133.1-62.8-53.6000108.3
974K35.2Very low34.4Very low163 Ų163145.2 Ų145.271%0.70975%0.748SS**  cis70.9104.115.4-159179.5175.8-176.30116.7
975E30Very low34.2Very low159 Ų159147.8 Ų147.874%0.74376%0.757SS**SBendtrans59.777.2157-67.5-179.869.300119.2
976Q28.9Very low34.1Very low187 Ų187143.9 Ų143.987%0.87476%0.757SS**  77.1-156.5129.3-145.8-174.3-86.700116.7
977P40.1Very low34Very low88 Ų88143.2 Ų143.257%0.57176%0.763SS**  -89.8168.6-128.542.6-32.9000114
978P38.5Very low33.7Very low115 Ų115144.3 Ų144.375%0.74776%0.763SS**  -118167.490.9-5.427000113.5
979E30.8Very low33.4Very low165 Ų165141.6 Ų141.677%0.77176%0.755SS**  cis69.1146.640.6-98.7169.1-176.300112.8
980E31.7Very low33.4Very low140 Ų140146.5 Ų146.565%0.65476%0.763SS**  cis-155.3-175.61.7-159-171.462.100109
981Q33.2Very low33Very low165 Ų165146.8 Ų146.877%0.77176%0.764SS**  trans76.6132.2156.6-65.7166.635.400118.2
982A34.4Very low33Very low86 Ų86143.8 Ų143.871%0.71176%0.758SS**  cis-157.3169.1-13.700000107.8
983Q33Very low32.8Very low173 Ų173147.1 Ų147.181%0.80876%0.76SS**  cis-153.1145.432.2-67-178.9-3.500112.9
984V35.5Very low32.4Very low121 Ų121145.4 Ų145.473%0.73375%0.747SS**  44.9113.2124.4-173.10000116.5
985Q32.8Very low32.2Very low176 Ų176144.5 Ų144.582%0.82275%0.745SS**  cis-148.2147.447.8-65.8179.2-9.900113.9
986P32.5Very low32.4Very low114 Ų114145.4 Ų145.474%0.7475%0.746SS**  trans-90.2171.6154.538.7-33.4000111.4
987V34.4Very low33Very low139 Ų139139.9 Ų139.984%0.84273%0.733SS**  trans179.7128.5131.9144.40000108.8
988E29.7Very low32.9Very low180 Ų180141.7 Ų141.784%0.84174%0.744SS**  trans-70.6144.6165.4-60.9155.589.300109.4
989D32.1Very low32.6Very low135 Ų135143 Ų14372%0.72275%0.745SS**  -175.6165.9116.7-126.5-26.7000116.8
990Q34.4Very low32.7Very low158 Ų158141.3 Ų141.374%0.73875%0.746SS**  trans54.7101.5145.9-73.6165.471.200120.8
991Q26.8Very low32.7Very low189 Ų189142 Ų14288%0.88375%0.749SS**  5.8165.1119.6-99-154.3-80.200121.5
992P33.2Very low32.5Very low98 Ų98140.2 Ų140.264%0.63675%0.745SS**  trans-100165.5-132.840-38.8000115.2
993K26.9Very low32.2Very low173 Ų173143.4 Ų143.475%0.75274%0.744SS**  178.9145.2128.4-104.2167.2165.4-118.20116
994E26.5Very low32.1Very low130 Ų130142.2 Ų142.261%0.60774%0.744SS**  trans63.2152.6139.4-74.3179.757.400123.4
995Q30.7Very low31.6Very low143 Ų143146.4 Ų146.467%0.66875%0.747SS**  trans72.3139.5164.5-69172.760.200117.1
996K34.8Very low31.4Very low179 Ų179146.3 Ų146.378%0.77875%0.746SS**  cis-148.1159.97.4-138.9156.7-173.6147.70114.3
997A41.6Very low31.3Very low71 Ų71144.5 Ų144.559%0.58775%0.748SS**  trans-42.7161.7171.600000115.8N999A997-N999 HydrophobicContact CB-CB 3.96Å
998P37.6Very low31.1Very low126 Ų126141.5 Ų141.582%0.81875%0.746SS**  cis-113146.520.724.9-6000114.8
999N32.2Very low31.2Very low142 Ų142141.3 Ų141.376%0.75975%0.745SS**  cis68.192.212-143.524.8000116.3A997A997-N999 HydrophobicContact CB-CB 3.96Å
1000T33.9Very low31.2Very low129 Ų129140.4 Ų140.479%0.79174%0.744SS**  trans-166.7128.1146.4-75.60000110.1
1001Q31.6Very low31.1Very low155 Ų155139.6 Ų139.672%0.72474%0.744SS**  trans18.7128.5162.1-47.6-63.3600120.1
1002L27.2Very low31.2Very low128 Ų128135.6 Ų135.667%0.6773%0.732SS**  cis76.4123.340.4-162.679.2000114.9
1003Q28.2Very low31Very low152 Ų152138.8 Ų138.871%0.7174%0.736SS**  trans36.3109.3154.5-64167.3-23.900120.4
1004N31.4Very low31Very low149 Ų149140.9 Ų140.980%0.79774%0.739SS**  -176.6129.2108.6-92.2-42.9000110.1
1005W25.6Very low31.2Very low209 Ų209138.7 Ų138.779%0.79274%0.743SS**  65.4115.492-99.372.2000115.8
1006Q28Very low31.1Very low174 Ų174137.3 Ų137.381%0.81375%0.746SS**  trans66.8151166.5-58.9177.6-10.700117.8
1007G30.6Very low30.8Very low75 Ų75140.2 Ų140.277%0.77375%0.752SS**  trans146.1-6.4163.900000120.1
1008G30Very low30.2Very low77 Ų77144.6 Ų144.679%0.79476%0.761SS**  trans75.8-175.5-176.300000113.7
1009Q31.4Very low29.8Very low176 Ų176145.3 Ų145.382%0.82276%0.757SS**  cis-144.8154.41.2-95.2-172.775.800110.3
1010V33.1Very low29.7Very low116 Ų116145 Ų14570%0.70377%0.765SS**  trans47.2120.9139.9176.50000117.9
1011L32.8Very low29.7Very low141 Ų141145.1 Ų145.174%0.73876%0.76SS**  cis-155138.111-14958.2000106.2
1012V28.4Very low29.7Very low105 Ų105145.5 Ų145.564%0.63677%0.767SS**  57124.365.6160.70000110.4
1013K28.2Very low29.9Very low165 Ų165150.4 Ų150.472%0.71778%0.777SS**  cis-157.1148.212.2-114.3165.3-165.2166.40108.3
1014R28.3Very low30.1Very low217 Ų217150.5 Ų150.582%0.81978%0.778SS**  70141.193.3-160.5-170.7-131.6164.25.6116
1015A29.7Very low30.1Very low83 Ų83148.9 Ų148.969%0.68677%0.773SS**  trans-68.3158.1170.500000113.9
1016P29.5Very low30.4Very low114 Ų114146.5 Ų146.574%0.7477%0.771SS**  -125.3156.1116.422.6-6.2000110.5
1017R28.1Very low30.4Very low241 Ų241141.3 Ų141.391%0.90975%0.754SS**  cis48.3117.88.2-83.1-159-179.8-157.61.2117.5
1018Q29.2Very low30.4Very low162 Ų162142 Ų14276%0.75774%0.736SS**  trans86.3147.1165.4-71.7-7118.600119.3
1019L28.7Very low30.4Very low141 Ų141144.3 Ų144.374%0.73873%0.726SS**  trans62.4109173.9-85.770.2000118.3
1020C30.8Very low30.3Very low137 Ų137144.3 Ų144.393%0.92672%0.723SS**  trans-15245.5139.7-134.20000110.8
1021D32.2Very low30.3Very low131 Ų131144.4 Ų144.470%0.70172%0.724SS**  trans-86.6154.9172.4-56.4-71.2000110.8
1022N32.6Very low30.2Very low163 Ų163144.9 Ų144.987%0.87272%0.723SS**  trans57.295.4175.3-68.8-4000118.2
1023W31.1Very low30.4Very low231 Ų231147.9 Ų147.988%0.87573%0.727SS**  trans-148.7122.8130.1166.7-105.5000109.2
1024E32.9Very low30.7Very low154 Ų154145 Ų14572%0.7273%0.727SS**  trans-87.1159.1-179-66.7175.3101.300112.1
1025T31.5Very low30.8Very low115 Ų115141.3 Ų141.371%0.70673%0.734SS**  trans43.892.6144.6-52.10000118.4
1026Q32.7Very low30.9Very low158 Ų158142.2 Ų142.274%0.73874%0.735SS**  -170175.9120-106.7170.319.400113.5K471K471-Q1026 PolarHBondContact NZ-O 3.48Å
1027S27.5Very low31Very low65 Ų65146.4 Ų146.446%0.45574%0.742SS.*  trans-95.7162.9172.7630000109.9K471K471-S1027 VanDerWaalsContact CD-CB 3.49Å
1028F29.9Very low31.2Very low90 Ų90145.4 Ų145.440%0.39574%0.738SS.*  cis-157-17926.2-119.4-60.6000112L469 K471L469-F1028 HydrophobicContact CB-CD1 4.22Å; L469-F1028 HydrophobicContact CB-CD2 3.85Å; L469-F1028 HydrophobicContact CB-CE1 3.79Å; L469-F1028 HydrophobicContact CB-CE2 3.43Å; L469-F1028 VanDerWaalsContact CB-CE2 3.43Å; L469-F1028 HydrophobicContact CB-CG 4.29Å; L469-F1028 HydrophobicContact CB-CZ 3.41Å; L469-F1028 VanDerWaalsContact CB-CZ 3.41Å; L469-F1028 HydrophobicContact CD1-CD1 4.33Å; L469-F1028 HydrophobicContact CD1-CD2 4.2Å; L469-F1028 HydrophobicContact CD1-CG 4.14Å; L469-F1028 HydrophobicContact CD2-CD1 4.02Å; L469-F1028 HydrophobicContact CD2-CE1 3.88Å; L469-F1028 HydrophobicContact CD2-CZ 4.39Å; L469-F1028 HydrophobicContact CG-CD1 4.44Å; L469-F1028 HydrophobicContact CG-CE1 4.32Å; L469-F1028 HydrophobicContact CG-CZ 4.4Å; L469-F1028 WeakPolarHBondContact O-CE2 3.48Å; L469-F1028 WeakPolarHBondContact O-CZ 3.31Å; K471-F1028 HydrophobicContact CB-CE1 3.79Å; K471-F1028 HydrophobicContact CB-CE2 3.99Å; K471-F1028 HydrophobicContact CB-CZ 3.34Å
1029Q30.3Very low31.3Very low126 Ų126143.6 Ų143.659%0.58974%0.744SS**  trans71.5123.7152-70.8-87.2-1.500120.7
1030F29.6Very low31.7Very low176 Ų176142.7 Ų142.777%0.77274%0.744SS**  trans60132.8142-103.8-110.4000124.2
1031T33.6Very low31.7Very low117 Ų117141.6 Ų141.672%0.71874%0.735SS**  trans66.7117.7152.538.10000122.5
1032E30.2Very low31.7Very low151 Ų151140.2 Ų140.271%0.70674%0.736SS**  trans30107.4139.7-70-160141.600120.5
1033K33Very low31.6Very low168 Ų168143 Ų14373%0.7373%0.734SS**  174150.695-101.3143.2-173.7116.40116
1034S33.7Very low31.6Very low104 Ų104138.2 Ų138.273%0.72772%0.721SS**  trans61101.1145.7-59.50000121.1
1035C30.4Very low31.5Very low140 Ų140135 Ų13595%0.94671%0.714SS**  -149.1110.9126.8-148.50000109.2
1036S32.4Very low31.6Very low103 Ų103134.9 Ų134.972%0.7271%0.708SS**  trans-141.7115.3-160.6590000114.1
1037F30.5Very low31.8Very low201 Ų201131.3 Ų131.388%0.88270%0.7SS**  trans-154.647.8166.1-145.7-93.5000116.5
1038W31.6Very low32.4Very low221 Ų221135 Ų13584%0.83771%0.71SS**SBendtrans-144.6111.5147-88.492.3000107.4T1040W1038-T1040 PolarHBondContact O-N 2.85Å
1039S32.3Very low32.8Very low124 Ų124139.5 Ų139.587%0.86773%0.725SS**  trans-79.1101.4-169.3-560000112
1040T37.4Very low33.2Very low122 Ų122135.2 Ų135.275%0.74871%0.709SS**  trans-63.7140.8162.139.40000110.2W1038 S1042W1038-T1040 PolarHBondContact O-N 2.85Å; T1040-S1042 PolarHBondContact O-N 3.42Å; T1040-S1042 VanDerWaalsContact O-N 3.14Å
1041P31.3Very low33.6Very low114 Ų114132.8 Ų132.874%0.7470%0.7SS**  trans-62.5114.5160.8-15.830000107.6W1043P1041-W1043 PolarHBondContact O-N 2.91Å; P1041-W1043 VanDerWaalsContact O-N 3.11Å
1042S31.9Very low33.9Very low101 Ų101132.6 Ų132.671%0.70669%0.694SS**  trans-64.8114.2176.355.90000109.2T1040 Q1044T1040-S1042 PolarHBondContact O-N 3.42Å; T1040-S1042 VanDerWaalsContact O-N 3.14Å; S1042-Q1044 PolarHBondContact O-N 3.32Å
1043W31Very low34.2Very low223 Ų223134 Ų13485%0.84569%0.693SS**  trans-67.782.2168.6-78.384.7000109.4P1041 I1046P1041-W1043 PolarHBondContact O-N 2.91Å; P1041-W1043 VanDerWaalsContact O-N 3.11Å; W1043-I1046 HydrophobicContact CE3-CD1 4.17Å; W1043-I1046 HydrophobicContact CZ3-CD1 3.7Å
1044Q30.2Very low34.8Very low129 Ų129130.3 Ų130.360%0.60368%0.68SS**  trans-58.9142.5156.1-66.4-167.8-83.500108S1042 I1046S1042-Q1044 PolarHBondContact O-N 3.32Å; Q1044-I1046 PolarHBondContact O-N 3.15Å
1045P29.9Very low35.4Very low88 Ų88129.3 Ų129.357%0.57167%0.673SS**  trans-58.7119.1175.825.2-34.1000109.4S1047 Q1048P1045-S1047 PolarHBondContact O-N 3.43Å; P1045-Q1048 PolarHBondContact O-N 3.42Å
1046I34.8Very low36Very low111 Ų111128.5 Ų128.557%0.56966%0.656SS**Hα-helixtrans-62.1-19.2-174.1-71.1178.7000111.5W1043 Q1044 Q1048 R1049 S1050W1043-I1046 HydrophobicContact CE3-CD1 4.17Å; W1043-I1046 HydrophobicContact CZ3-CD1 3.7Å; Q1044-I1046 PolarHBondContact O-N 3.15Å; I1046-Q1048 PolarHBondContact O-N 2.96Å; I1046-Q1048 VanDerWaalsContact O-N 3.12Å; I1046-R1049 PolarHBondContact O-N 3.21Å; I1046-S1050 WeakPolarHBondContact O-CB 3.47Å; I1046-S1050 PolarHBondContact O-N 2.85Å
1047S36.8Very low36.5Very low83 Ų83126.3 Ų126.358%0.5865%0.649SS**Hα-helixtrans-48.3-37.4172.956.70000114.1P1045P1045-S1047 PolarHBondContact O-N 3.43Å
1048Q40.5Very low36.8Very low142 Ų142125.4 Ų125.466%0.66464%0.64SS**Hα-helixtrans-89.5-36.8-174.8-152.5156.422.400113.4P1045 I1046 S1050 Q1051P1045-Q1048 PolarHBondContact O-N 3.42Å; I1046-Q1048 PolarHBondContact O-N 2.96Å; I1046-Q1048 VanDerWaalsContact O-N 3.12Å; Q1048-S1050 PolarHBondContact O-N 2.86Å; Q1048-Q1051 PolarHBondContact O-N 3.44Å
1049R38Very low37.5Very low186 Ų186124.3 Ų124.370%0.70264%0.636SS**Hα-helixtrans-70.7-18.7168.1-175.5171-82-172.5-2.2112.1I1046 Q1051I1046-R1049 PolarHBondContact O-N 3.21Å; R1049-Q1051 VanDerWaalsContact C-N 3.3Å; R1049-Q1051 PolarHBondContact O-N 2.94Å
1050S39Very low38.3Very low35 Ų35123.7 Ų123.725%0.24562%0.623CS.*Hα-helixtrans-68.1-25.8171.8-164.30000112.9I1046 Q1048 D1052 W1053 I1054I1046-S1050 WeakPolarHBondContact O-CB 3.47Å; I1046-S1050 PolarHBondContact O-N 2.85Å; Q1048-S1050 PolarHBondContact O-N 2.86Å; S1050-D1052 PolarHBondContact O-N 2.86Å; S1050-W1053 PolarHBondContact O-NE1 3.36Å; S1050-W1053 PolarHBondContact OG-NE1 3.13Å; S1050-I1054 WeakPolarHBondContact O-CD1 3.49Å; S1050-I1054 VanDerWaalsContact O-CG1 3.29Å; S1050-I1054 WeakPolarHBondContact O-CG1 3.34Å
1051Q37.4Very low38.8Very low125 Ų125127.4 Ų127.458%0.58463%0.629SS**Hα-helixtrans-76.6-23.2-179-69.5-177.5-11.500113.5Q1048 R1049 S1055Q1048-Q1051 PolarHBondContact O-N 3.44Å; R1049-Q1051 VanDerWaalsContact C-N 3.3Å; R1049-Q1051 PolarHBondContact O-N 2.94Å; Q1051-S1055 WeakPolarHBondContact O-CB 3.11Å; Q1051-S1055 PolarHBondContact O-N 3.38Å; Q1051-S1055 VanDerWaalsContact O-N 3.11Å; Q1051-S1055 PolarHBondContact O-OG 3.29Å
1052D40.6Very low40Very low114 Ų114127.2 Ų127.261%0.6162%0.621SS**Hα-helixtrans-73.5-40.9178.9-79.7-36.3000113.4S1050 S1055 Q1056S1050-D1052 PolarHBondContact O-N 2.86Å; D1052-S1055 PolarHBondContact O-N 2.93Å; D1052-Q1056 WeakPolarHBondContact O-CG 3.4Å; D1052-Q1056 PolarHBondContact O-N 2.9Å; D1052-Q1056 VanDerWaalsContact O-N 3.07Å
1053W34.8Very low40.5Very low180 Ų180127 Ų12768%0.68261%0.605SS**Hα-helixtrans-70.5-37.3176.776.1-76.2000111.6S1050 S1055 Q1056 G1057S1050-W1053 PolarHBondContact O-NE1 3.36Å; S1050-W1053 PolarHBondContact OG-NE1 3.13Å; W1053-S1055 PolarHBondContact O-N 3.48Å; W1053-Q1056 PolarHBondContact O-N 2.91Å; W1053-G1057 PolarHBondContact O-N 3.16Å
1054I46.2Very low41Very low90 Ų90123.1 Ų123.146%0.46259%0.594SS.*Hα-helixtrans-59.5-30.8171.4-66.8172.3000111.2S1050 W1058S1050-I1054 WeakPolarHBondContact O-CD1 3.49Å; S1050-I1054 VanDerWaalsContact O-CG1 3.29Å; S1050-I1054 WeakPolarHBondContact O-CG1 3.34Å; I1054-W1058 PolarHBondContact O-NE1 2.83Å
1055S46.6Very low42Very low83 Ų83120.8 Ų120.858%0.5860%0.597SS**Hα-helixtrans-85.9-19.3177.9-60.10000114.8Q1051 D1052 W1053Q1051-S1055 WeakPolarHBondContact O-CB 3.11Å; Q1051-S1055 PolarHBondContact O-N 3.38Å; Q1051-S1055 VanDerWaalsContact O-N 3.11Å; Q1051-S1055 PolarHBondContact O-OG 3.29Å; D1052-S1055 PolarHBondContact O-N 2.93Å; W1053-S1055 PolarHBondContact O-N 3.48Å
1056Q43Very low42.5Very low124 Ų124123.9 Ų123.958%0.57960%0.604SS**Hα-helixtrans-97.4-29.2179.9-70.6-72.9-0.200113.8D1052 W1053 W1058D1052-Q1056 WeakPolarHBondContact O-CG 3.4Å; D1052-Q1056 PolarHBondContact O-N 2.9Å; D1052-Q1056 VanDerWaalsContact O-N 3.07Å; W1053-Q1056 PolarHBondContact O-N 2.91Å; Q1056-W1058 VanDerWaalsContact C-N 3.29Å; Q1056-W1058 PolarHBondContact O-N 3.1Å
1057G43.4Very low42.9Very low56 Ų56124.4 Ų124.458%0.57760%0.604SS**G310 helixtrans-61.4-29.3-172.800000115.6W1053 R1059W1053-G1057 PolarHBondContact O-N 3.16Å; G1057-R1059 PolarHBondContact O-N 3Å
1058W37.2Very low42.8Very low183 Ų183129.9 Ų129.969%0.69361%0.612SS**G310 helixtrans-70.6-2.1-172.6-70.585.2000115.9I1054 Q1056 W1063I1054-W1058 PolarHBondContact O-NE1 2.83Å; Q1056-W1058 VanDerWaalsContact C-N 3.29Å; Q1056-W1058 PolarHBondContact O-N 3.1Å; W1058-W1063 HydrophobicContact CE3-CZ2 4.08Å; W1058-W1063 HydrophobicContact CH2-CH2 4.02Å; W1058-W1063 AromaticContact CH2-CZ2 3.88Å; W1058-W1063 HydrophobicContact CH2-CZ2 3.88Å; W1058-W1063 HydrophobicContact CZ3-CH2 4.07Å; W1058-W1063 AromaticContact CZ3-CZ2 3.46Å; W1058-W1063 HydrophobicContact CZ3-CZ2 3.46Å; W1058-W1063 VanDerWaalsContact CZ3-CZ2 3.46Å
1059R45.3Very low42.7Very low198 Ų198129.9 Ų129.975%0.74761%0.612SS**G310 helixtrans-90.9-4.2-171.8-139.2-175.9-58.5-91.2-1115.1G1057G1057-R1059 PolarHBondContact O-N 3Å
1060N50Low42.5Very low111 Ų111129.6 Ų129.659%0.59462%0.616SS**  trans-101.7134.4176.3-161.910.4000111.3
1061K46.6Very low42.2Very low200 Ų200134.8 Ų134.887%0.8764%0.637SS**THydrogen-bonded Turntrans-83.2-14.2-164.6-91.4-174.7172.8-1780115.8
1062D55.9Low42.3Very low110 Ų110134.7 Ų134.759%0.58864%0.644SS**THydrogen-bonded Turntrans-91.9-9.9-165.6-54-47.5000115K1064 A1065D1062-K1064 VanDerWaalsContact C-N 3.32Å; D1062-K1064 PolarHBondContact O-N 2.96Å; D1062-A1065 WeakPolarHBondContact O-CB 3.13Å; D1062-A1065 PolarHBondContact O-N 3.41Å
1063W44Very low42Very low97 Ų97137.2 Ų137.237%0.36765%0.65SS.*THydrogen-bonded Turntrans-60.7-35.7-169.575.4-83.7000114W1058 A1065 Q1066 E1067W1058-W1063 HydrophobicContact CE3-CZ2 4.08Å; W1058-W1063 HydrophobicContact CH2-CH2 4.02Å; W1058-W1063 AromaticContact CH2-CZ2 3.88Å; W1058-W1063 HydrophobicContact CH2-CZ2 3.88Å; W1058-W1063 HydrophobicContact CZ3-CH2 4.07Å; W1058-W1063 AromaticContact CZ3-CZ2 3.46Å; W1058-W1063 HydrophobicContact CZ3-CZ2 3.46Å; W1058-W1063 VanDerWaalsContact CZ3-CZ2 3.46Å; W1063-A1065 PolarHBondContact O-N 3.45Å; W1063-A1065 VanDerWaalsContact O-N 3.09Å; W1063-Q1066 PolarHBondContact O-N 3.45Å; W1063-E1067 WeakPolarHBondContact CZ3-OE1 3.4Å; W1063-E1067 VanDerWaalsContact CZ3-OE2 3.28Å; W1063-E1067 WeakPolarHBondContact CZ3-OE2 3.23Å
1064K40.4Very low42Very low141 Ų141134.8 Ų134.861%0.61366%0.657SS**Hα-helixtrans-64.4-11.6177.2-80-160.9167.8-165.60114.9D1062D1062-K1064 VanDerWaalsContact C-N 3.32Å; D1062-K1064 PolarHBondContact O-N 2.96Å
1065A51Low41.5Very low80 Ų80135.4 Ų135.466%0.66167%0.669SS**Hα-helixtrans-81.5-15.9173.500000113.4D1062 W1063D1062-A1065 WeakPolarHBondContact O-CB 3.13Å; D1062-A1065 PolarHBondContact O-N 3.41Å; W1063-A1065 PolarHBondContact O-N 3.45Å; W1063-A1065 VanDerWaalsContact O-N 3.09Å
1066Q42Very low41.3Very low153 Ų153138.4 Ų138.472%0.71568%0.678SS**Hα-helixtrans-98.1-19.2-179.3-66.9-167.9-112.300113.9W1063W1063-Q1066 PolarHBondContact O-N 3.45Å
1067E41.3Very low41.6Very low121 Ų121136.3 Ų136.357%0.56567%0.671SS**Hα-helixtrans-73-32.1-177.7-147.1162-138.100112.2W1063 Q1069 F1070W1063-E1067 WeakPolarHBondContact CZ3-OE1 3.4Å; W1063-E1067 VanDerWaalsContact CZ3-OE2 3.28Å; W1063-E1067 WeakPolarHBondContact CZ3-OE2 3.23Å; E1067-Q1069 PolarHBondContact O-N 3.48Å; E1067-Q1069 VanDerWaalsContact O-N 3.11Å; E1067-F1070 PolarHBondContact O-N 2.88Å
1068W35.6Very low41.6Very low198 Ų198141.6 Ų141.675%0.7567%0.673SS**THydrogen-bonded Turntrans-74.210.3176.4-80.195.8000115.5E1071W1068-E1071 WeakPolarHBondContact CZ3-OE2 3.3Å
1069Q38.2Very low42.4Very low143 Ų143138 Ų13867%0.66866%0.664SS**THydrogen-bonded Turntrans-107.94.9170-71.3-161.5-15.300114.1E1067E1067-Q1069 PolarHBondContact O-N 3.48Å; E1067-Q1069 VanDerWaalsContact O-N 3.11Å
1070F34.4Very low43Very low179 Ų179131 Ų13179%0.78565%0.646SS**  trans-12732.5172.5-81.5-80.4000113.3E1067 V1072E1067-F1070 PolarHBondContact O-N 2.88Å; F1070-V1072 VanDerWaalsContact C-N 3.34Å; F1070-V1072 PolarHBondContact O-N 2.87Å
1071E31.7Very low43.9Very low145 Ų145131.9 Ų131.968%0.67865%0.646SS**  trans-72.694.7158.5-171.4162.5-140.300108.5W1068 K1073W1068-E1071 WeakPolarHBondContact CZ3-OE2 3.3Å; E1071-K1073 PolarHBondContact O-N 3.17Å
1072V39.4Very low45.1Very low122 Ų122127.8 Ų127.874%0.73963%0.631SS**  trans-66.999.8178.2179.70000108.3F1070 P1074F1070-V1072 VanDerWaalsContact C-N 3.34Å; F1070-V1072 PolarHBondContact O-N 2.87Å; V1072-P1074 WeakPolarHBondContact O-CD 3.2Å
1073K34.2Very low45.9Very low168 Ų168126.6 Ų126.673%0.7362%0.623SS**  trans-52.8126.3166.9-79.1-173.8173.1-1750108.7E1071 S1075E1071-K1073 PolarHBondContact O-N 3.17Å; K1073-S1075 PolarHBondContact O-N 3.12Å
1074P35.3Very low47.4Very low128 Ų128128.4 Ų128.483%0.83164%0.64SS**  trans-74.669.2166.532.6-34.1000108.8V1072 L1076V1072-P1074 WeakPolarHBondContact O-CD 3.2Å; P1074-L1076 PolarHBondContact O-N 3.28Å
1075S35.5Very low49.1Very low103 Ų103127.4 Ų127.472%0.7264%0.637SS**  trans-92.954.1168.965.40000110.1K1073K1073-S1075 PolarHBondContact O-N 3.12Å
1076L42.3Very low50.4Low146 Ų146132.7 Ų132.776%0.76464%0.64SS**SBendtrans-70.5141.3139.6-101.770.5000106.3P1074P1074-L1076 PolarHBondContact O-N 3.28Å
1077D49.7Very low51.9Low80 Ų80129.2 Ų129.243%0.42862%0.624SS.*  trans-68134.5179-163.3-1000110E1079 S1080 Q1081D1077-E1079 PolarHBondContact O-N 2.59Å; D1077-S1080 WeakPolarHBondContact O-CA 3.39Å; D1077-S1080 VanDerWaalsContact O-CB 3.31Å; D1077-S1080 WeakPolarHBondContact O-CB 3.42Å; D1077-S1080 PolarHBondContact O-N 3.45Å; D1077-Q1081 PolarHBondContact O-N 3.46Å
1078W44.4Very low53.4Low167 Ų167126.5 Ų126.563%0.63362%0.618SS**Hα-helixtrans-60.7-3617967-74.2000110.4S1080 Q1081 E1082W1078-S1080 PolarHBondContact O-N 3.32Å; W1078-Q1081 PolarHBondContact O-N 3.48Å; W1078-E1082 HydrophobicContact CE3-CG 4.44Å; W1078-E1082 PolarHBondContact O-N 2.87Å
1079E53.1Low55.5Low108 Ų108122 Ų12251%0.50561%0.608SS.*Hα-helixtrans-61.8-31175-157.7175.2158.300111.7D1077 L1083D1077-E1079 PolarHBondContact O-N 2.59Å; E1079-L1083 WeakPolarHBondContact O-CB 3.39Å; E1079-L1083 WeakPolarHBondContact O-CG 3.16Å; E1079-L1083 PolarHBondContact O-N 3.48Å; E1079-L1083 VanDerWaalsContact O-N 3.08Å
1080S58.7Low57.4Low52 Ų52122.9 Ų122.936%0.36461%0.605SS.*Hα-helixtrans-75.5-28.5173-63.50000113.1D1077 W1078 L1084D1077-S1080 WeakPolarHBondContact O-CA 3.39Å; D1077-S1080 VanDerWaalsContact O-CB 3.31Å; D1077-S1080 WeakPolarHBondContact O-CB 3.42Å; D1077-S1080 PolarHBondContact O-N 3.45Å; W1078-S1080 PolarHBondContact O-N 3.32Å; S1080-L1084 WeakPolarHBondContact O-CB 3.37Å; S1080-L1084 PolarHBondContact O-N 3.06Å; S1080-L1084 VanDerWaalsContact O-N 3.14Å
1081Q67.6Low59.3Low128 Ų128120.4 Ų120.460%0.59860%0.596SS**Hα-helixtrans-77.8-41176.1-172.6168.1-24.400111.3D1077 W1078 L1083 L1084 E1085D1077-Q1081 PolarHBondContact O-N 3.46Å; W1078-Q1081 PolarHBondContact O-N 3.48Å; Q1081-L1083 VanDerWaalsContact C-N 3.34Å; Q1081-L1083 PolarHBondContact O-N 3.12Å; Q1081-L1084 PolarHBondContact O-N 3.34Å; Q1081-E1085 PolarHBondContact O-N 3.03Å
1082E72.9Confident61.4Low115 Ų115121.4 Ų121.454%0.53759%0.594SS.*Hα-helixtrans-62.4-39.5171.2-72.2-166.6179.300112W1078 L1084 E1085 R1086W1078-E1082 HydrophobicContact CE3-CG 4.44Å; W1078-E1082 PolarHBondContact O-N 2.87Å; E1082-L1084 VanDerWaalsContact C-N 3.34Å; E1082-L1084 PolarHBondContact O-N 3.12Å; E1082-E1085 PolarHBondContact O-N 3.17Å; E1082-R1086 WeakPolarHBondContact O-CB 3.19Å; E1082-R1086 PolarHBondContact O-N 3.49Å
1083L72.4Confident63Low84 Ų84118 Ų11844%0.4458%0.579SS.*Hα-helixtrans-61.5-40.4172.7-87.8167.5000112.5E1079 Q1081 R1086 E1087E1079-L1083 WeakPolarHBondContact O-CB 3.39Å; E1079-L1083 WeakPolarHBondContact O-CG 3.16Å; E1079-L1083 PolarHBondContact O-N 3.48Å; E1079-L1083 VanDerWaalsContact O-N 3.08Å; Q1081-L1083 VanDerWaalsContact C-N 3.34Å; Q1081-L1083 PolarHBondContact O-N 3.12Å; L1083-R1086 PolarHBondContact O-N 3.4Å; L1083-E1087 WeakPolarHBondContact O-CB 3.37Å; L1083-E1087 PolarHBondContact O-N 3.15Å
1084L75.1Confident64.9Low135 Ų135113.9 Ų113.971%0.70756%0.564SS**Hα-helixtrans-68.9-40.7178.8-157.275.9000111.8S1080 Q1081 E1082 S1088S1080-L1084 WeakPolarHBondContact O-CB 3.37Å; S1080-L1084 PolarHBondContact O-N 3.06Å; S1080-L1084 VanDerWaalsContact O-N 3.14Å; Q1081-L1084 PolarHBondContact O-N 3.34Å; E1082-L1084 VanDerWaalsContact C-N 3.34Å; E1082-L1084 PolarHBondContact O-N 3.12Å; L1084-S1088 WeakPolarHBondContact O-CB 3.38Å; L1084-S1088 PolarHBondContact O-N 3.38Å
1085E75.9Confident65.9Low121 Ų121116 Ų11657%0.56556%0.557SS**Hα-helixtrans-63.3-46.5171.8-74-160.1141.800111.2Q1081 E1082 E1087 S1088 L1089Q1081-E1085 PolarHBondContact O-N 3.03Å; E1082-E1085 PolarHBondContact O-N 3.17Å; E1085-E1087 PolarHBondContact O-N 2.99Å; E1085-S1088 PolarHBondContact O-N 2.81Å; E1085-S1088 VanDerWaalsContact O-N 3.15Å; E1085-S1088 PolarHBondContact O-OG 2.96Å; E1085-L1089 WeakPolarHBondContact O-CG 3.46Å; E1085-L1089 PolarHBondContact O-N 3.12Å
1086R78.1Confident67.2Low191 Ų191118 Ų11872%0.72156%0.555SS**Hα-helixtrans-61.3-41.9-179.5-170.8172.8-173.1162.21.8112.5E1082 L1083 L1089 R1090E1082-R1086 WeakPolarHBondContact O-CB 3.19Å; E1082-R1086 PolarHBondContact O-N 3.49Å; L1083-R1086 PolarHBondContact O-N 3.4Å; R1086-L1089 PolarHBondContact O-N 3.33Å; R1086-R1090 WeakPolarHBondContact O-CB 3.45Å; R1086-R1090 PolarHBondContact O-N 3.08Å
1087E73.2Confident68Low80 Ų80118.5 Ų118.537%0.37455%0.553SS.*Hα-helixtrans-73.7-32.6175.7-166.755.9-145.800111.7L1083 E1085 L1089 R1090 Q1091L1083-E1087 WeakPolarHBondContact O-CB 3.37Å; L1083-E1087 PolarHBondContact O-N 3.15Å; E1085-E1087 PolarHBondContact O-N 2.99Å; E1087-L1089 VanDerWaalsContact C-N 3.31Å; E1087-L1089 PolarHBondContact O-N 2.74Å; E1087-R1090 WeakPolarHBondContact O-CB 3.2Å; E1087-R1090 PolarHBondContact O-N 2.93Å; E1087-R1090 WeakPolarHBondContact OE2-CD 3.31Å; E1087-R1090 IonicContact OE2-NH1 3.57Å; E1087-Q1091 WeakPolarHBondContact O-CB 3.48Å; E1087-Q1091 WeakPolarHBondContact O-CG 3.37Å; E1087-Q1091 PolarHBondContact O-N 3.05Å
1088S73.5Confident68Low64 Ų64120.9 Ų120.945%0.44856%0.564SS.*Hα-helixtrans-64.2-35.4170.883.50000112.8L1084 E1085 R1092L1084-S1088 WeakPolarHBondContact O-CB 3.38Å; L1084-S1088 PolarHBondContact O-N 3.38Å; E1085-S1088 PolarHBondContact O-N 2.81Å; E1085-S1088 VanDerWaalsContact O-N 3.15Å; E1085-S1088 PolarHBondContact O-OG 2.96Å; S1088-R1092 VanDerWaalsContact O-CB 3.31Å; S1088-R1092 WeakPolarHBondContact O-CB 3.41Å; S1088-R1092 PolarHBondContact O-N 3.25Å
1089L80.3Confident67.8Low102 Ų102118.9 Ų118.953%0.53456%0.562SS.*Hα-helixtrans-70.3-37.2173.2-71.9169.5000111.2E1085 R1086 E1087 R1092 A1093E1085-L1089 WeakPolarHBondContact O-CG 3.46Å; E1085-L1089 PolarHBondContact O-N 3.12Å; R1086-L1089 PolarHBondContact O-N 3.33Å; E1087-L1089 VanDerWaalsContact C-N 3.31Å; E1087-L1089 PolarHBondContact O-N 2.74Å; L1089-R1092 PolarHBondContact O-N 2.83Å; L1089-A1093 WeakPolarHBondContact O-CB 3.14Å; L1089-A1093 PolarHBondContact O-N 3.02Å
1090R78.4Confident67.4Low162 Ų162118.5 Ų118.561%0.61157%0.569SS**Hα-helixtrans-65.5-45.3174.8-156-178.7-161.3177.52.1111.9R1086 E1087 A1093 L1094R1086-R1090 WeakPolarHBondContact O-CB 3.45Å; R1086-R1090 PolarHBondContact O-N 3.08Å; E1087-R1090 WeakPolarHBondContact O-CB 3.2Å; E1087-R1090 PolarHBondContact O-N 2.93Å; E1087-R1090 WeakPolarHBondContact OE2-CD 3.31Å; E1087-R1090 IonicContact OE2-NH1 3.57Å; R1090-A1093 PolarHBondContact O-N 3.07Å; R1090-L1094 WeakPolarHBondContact O-CG 3.42Å; R1090-L1094 PolarHBondContact O-N 3.24Å
1091Q73Confident66.3Low128 Ų128124.7 Ų124.760%0.59859%0.592SS**Hα-helixtrans-57.7-46.5171.3-68.5-97.3-40.100111.1E1087 A1093 L1094 Y1095E1087-Q1091 WeakPolarHBondContact O-CB 3.48Å; E1087-Q1091 WeakPolarHBondContact O-CG 3.37Å; E1087-Q1091 PolarHBondContact O-N 3.05Å; Q1091-A1093 PolarHBondContact O-N 2.86Å; Q1091-L1094 PolarHBondContact O-N 2.97Å; Q1091-Y1095 WeakPolarHBondContact O-CB 3.48Å; Q1091-Y1095 PolarHBondContact O-N 2.98Å
1092R76.5Confident64.7Low165 Ų165124.6 Ų124.662%0.62360%0.601SS**Hα-helixtrans-63.4-38.9177179.2173.9-79.8158-3.2112.6S1088 L1089 Y1095 Q1096S1088-R1092 VanDerWaalsContact O-CB 3.31Å; S1088-R1092 WeakPolarHBondContact O-CB 3.41Å; S1088-R1092 PolarHBondContact O-N 3.25Å; L1089-R1092 PolarHBondContact O-N 2.83Å; R1092-Y1095 PolarHBondContact O-N 2.81Å; R1092-Q1096 WeakPolarHBondContact O-CG 3.28Å; R1092-Q1096 PolarHBondContact O-N 2.86Å
1093A73.3Confident62.9Low51 Ų51124 Ų12442%0.42161%0.605SS.*Hα-helixtrans-66.8-44.5175.700000112L1089 R1090 Q1091 Y1095 Q1096 Q1097L1089-A1093 WeakPolarHBondContact O-CB 3.14Å; L1089-A1093 PolarHBondContact O-N 3.02Å; R1090-A1093 PolarHBondContact O-N 3.07Å; Q1091-A1093 PolarHBondContact O-N 2.86Å; A1093-Y1095 VanDerWaalsContact C-N 3.32Å; A1093-Y1095 PolarHBondContact O-N 2.77Å; A1093-Q1096 PolarHBondContact O-N 3.29Å; A1093-Q1096 VanDerWaalsContact O-N 3.16Å; A1093-Q1097 PolarHBondContact O-N 2.89Å
1094L73.1Confident60.9Low81 Ų81127.5 Ų127.542%0.42462%0.622SS.*Hα-helixtrans-61.7-40.6174.1-70.3164.9000111.5R1090 Q1091 Q1096 Q1097 I1098R1090-L1094 WeakPolarHBondContact O-CG 3.42Å; R1090-L1094 PolarHBondContact O-N 3.24Å; Q1091-L1094 PolarHBondContact O-N 2.97Å; L1094-Q1096 VanDerWaalsContact C-N 3.3Å; L1094-Q1096 PolarHBondContact O-N 3.28Å; L1094-Q1097 PolarHBondContact O-N 2.95Å; L1094-Q1097 VanDerWaalsContact O-N 3.1Å; L1094-I1098 WeakPolarHBondContact O-CB 3.49Å; L1094-I1098 WeakPolarHBondContact O-CD1 3.42Å; L1094-I1098 VanDerWaalsContact O-CG1 3.28Å; L1094-I1098 WeakPolarHBondContact O-CG1 3.23Å; L1094-I1098 PolarHBondContact O-N 3.44Å
1095Y58.1Low58.9Low174 Ų174127 Ų12768%0.68263%0.625SS**Hα-helixtrans-66-31.1175.6-157.2-91.6000112.9Q1091 R1092 A1093Q1091-Y1095 WeakPolarHBondContact O-CB 3.48Å; Q1091-Y1095 PolarHBondContact O-N 2.98Å; R1092-Y1095 PolarHBondContact O-N 2.81Å; A1093-Y1095 VanDerWaalsContact C-N 3.32Å; A1093-Y1095 PolarHBondContact O-N 2.77Å
1096Q61.4Low56.8Low143 Ų143128.3 Ų128.367%0.66863%0.631SS**Hα-helixtrans-74.2-28.9170.4-74.7-179.4-47.300113R1092 A1093 L1094R1092-Q1096 WeakPolarHBondContact O-CG 3.28Å; R1092-Q1096 PolarHBondContact O-N 2.86Å; A1093-Q1096 PolarHBondContact O-N 3.29Å; A1093-Q1096 VanDerWaalsContact O-N 3.16Å; L1094-Q1096 VanDerWaalsContact C-N 3.3Å; L1094-Q1096 PolarHBondContact O-N 3.28Å
1097Q59.7Low54.5Low157 Ų157126.8 Ų126.873%0.73463%0.632SS**Hα-helixtrans-77-25.5175.9-170.4174.80.600113A1093 L1094A1093-Q1097 PolarHBondContact O-N 2.89Å; L1094-Q1097 PolarHBondContact O-N 2.95Å; L1094-Q1097 VanDerWaalsContact O-N 3.1Å
1098I49.7Very low52.5Low130 Ų130129.3 Ų129.367%0.66765%0.653SS**SBendtrans-90.3-6.5-179.6-66.2164.5000112.4L1094 P1100L1094-I1098 WeakPolarHBondContact O-CB 3.49Å; L1094-I1098 WeakPolarHBondContact O-CD1 3.42Å; L1094-I1098 VanDerWaalsContact O-CG1 3.28Å; L1094-I1098 WeakPolarHBondContact O-CG1 3.23Å; L1094-I1098 PolarHBondContact O-N 3.44Å; I1098-P1100 VanDerWaalsContact O-CD 3.23Å; I1098-P1100 WeakPolarHBondContact O-CD 3.21Å
1099Q40.8Very low50.6Low125 Ų125132.5 Ų132.558%0.58467%0.672SS**  trans-59.5114169.9-81.8-88.2-35.700110.7Q1101Q1099-Q1101 PolarHBondContact O-N 2.95Å
1100P43.5Very low48.2Very low100 Ų100131 Ų13165%0.64968%0.681SS**  trans-69.3133.517429.7-33.2000109.1I1098 T1102I1098-P1100 VanDerWaalsContact O-CD 3.23Å; I1098-P1100 WeakPolarHBondContact O-CD 3.21Å; P1100-T1102 PolarHBondContact O-N 2.83Å
1101Q35.9Very low45.9Very low182 Ų182132.5 Ų132.585%0.8570%0.695SS**  trans-68.895.8174.4-71-163.811.900110.3Q1099 T1103Q1099-Q1101 PolarHBondContact O-N 2.95Å; Q1101-T1103 PolarHBondContact O-N 3.24Å
1102T35Very low43.8Very low127 Ų127135 Ų13578%0.77971%0.707SS**  trans-72.971.5167.433.90000110.1P1100 I1104P1100-T1102 PolarHBondContact O-N 2.83Å; T1102-I1104 PolarHBondContact O-N 2.93Å
1103T35.1Very low41.7Very low102 Ų102134.5 Ų134.563%0.62672%0.716SS**  trans-53.2118.7176.3-620000110.6Q1101 V1105Q1101-T1103 PolarHBondContact O-N 3.24Å; T1103-V1105 HydrophobicContact CG2-CG2 4.33Å; T1103-V1105 PolarHBondContact O-N 2.88Å; T1103-V1105 VanDerWaalsContact O-N 3.12Å
1104I30.4Very low39.6Very low157 Ų157141.3 Ų141.381%0.80574%0.738SS**  trans-68.4108.6-178.8-58.1170.6000109.1T1102T1102-I1104 PolarHBondContact O-N 2.93Å
1105V31.7Very low37.7Very low125 Ų125144.8 Ų144.876%0.75876%0.758SS**  trans-115.5115.8170.2-177.90000109T1103T1103-V1105 HydrophobicContact CG2-CG2 4.33Å; T1103-V1105 PolarHBondContact O-N 2.88Å; T1103-V1105 VanDerWaalsContact O-N 3.12Å
1106H31.7Very low36.2Very low148 Ų148146.4 Ų146.469%0.68576%0.764SS**  trans-72.8139.2179.9-115.3-106.7000112
1107Q29.5Very low34.8Very low159 Ų159147.2 Ų147.274%0.74377%0.771SS**  trans26.3110.8150.1-62.8171.4-69.900118.6
1108T33.1Very low33.4Very low133 Ų133149.9 Ų149.982%0.81678%0.781SS**  trans-147.3120.4135.7-64.80000108.8
1109P32Very low32.5Very low131 Ų131152.5 Ų152.585%0.85179%0.79SS**  trans-83122.4176.832-31.5000110.5
1110G29.6Very low31.9Very low71 Ų71154 Ų15473%0.73281%0.807SS**  trans-155.3141.3177.700000111.4
1111H30.2Very low31.2Very low194 Ų194152 Ų15290%0.89881%0.805SS**  trans-64.4164.8174.6-69.4-120.3000111.2
1112Q29.6Very low31Very low180 Ų180151.6 Ų151.684%0.84181%0.808SS**  trans95.571.8176.3-53.5-75.538.200117.4
1113L33.2Very low30.8Very low155 Ų155152.6 Ų152.681%0.81282%0.818SS**  trans-158.738.8142.3-140.472.9000115.8N1115L1113-N1115 PolarHBondContact O-N 2.81Å
1114Q28.9Very low30.8Very low193 Ų193156.8 Ų156.890%0.90283%0.831SS**THydrogen-bonded Turntrans-7661178.5-170.385.933.600112.2
1115N31.8Very low30.7Very low155 Ų155153.3 Ų153.383%0.82983%0.834SS**THydrogen-bonded Turntrans-164.114.1176.1-118.4-14.8000119.2L1113L1113-N1115 PolarHBondContact O-N 2.81Å
1116Y28.1Very low30.8Very low207 Ų207152.7 Ų152.781%0.81284%0.835SS**SBendtrans-128.319.1-169.6-114.4-83.9000117.8
1117I32.2Very low30.9Very low160 Ų160155.3 Ų155.382%0.82184%0.839SS**SBendtrans-13883.1172.6-51.9178.1000110
1118F30.1Very low31.2Very low214 Ų214154.5 Ų154.594%0.93984%0.835SS**  trans-176.879.7152.5-113.1-71.6000110.3
1119Q29.4Very low31.2Very low184 Ų184155.2 Ų155.286%0.8683%0.829SS**  trans-151.669.9170.6-158176.2109.600112.8
1120V29.5Very low31.3Very low156 Ų156155.6 Ų155.695%0.94582%0.824SS**  trans-129.473.8159.7-173.10000107.1
1121G28.7Very low31.6Very low59 Ų59156.7 Ų156.761%0.60882%0.82SS**SBendtrans-175130.2-176.300000112.5
1122L32.4Very low31.9Very low174 Ų174156.3 Ų156.391%0.91182%0.819SS**  trans57.383.7165.9-53.3180000116.9Q1124L1122-Q1124 PolarHBondContact O-N 2.83Å
1123C29.4Very low32.1Very low147 Ų147153.1 Ų153.199%0.99382%0.817SS**  trans-74.2101.1157.8-63.90000110.5
1124Q35Very low32.2Very low190 Ų190149 Ų14989%0.88881%0.811SS**  trans-117.4133161.6-144.7172.641.100108.5L1122L1122-Q1124 PolarHBondContact O-N 2.83Å
1125G29.5Very low32.4Very low84 Ų84146 Ų14687%0.86681%0.806SS**  trans-78.7159.9-159.900000116
1126S33Very low32.5Very low112 Ų112145.6 Ų145.678%0.78380%0.803SS**  trans-147.7136.8-178.857.70000114.4
1127R33.7Very low32.8Very low203 Ų203142.5 Ų142.577%0.76680%0.799SS**  trans164145.7158.2-102-167.3-85.3-159.1-3.6108.6
1128Q36.3Very low32.8Very low142 Ų142143 Ų14366%0.66480%0.798SS**  cis-162.8116.9-6.9-158.6159.3-9.300105.7
1129Q33.8Very low32.9Very low149 Ų149139.6 Ų139.670%0.69679%0.79SS**  96.9164.289-159.2172.30.200113.6
1130D33.7Very low33.2Very low138 Ų138136.4 Ų136.474%0.73878%0.783SS**  trans80.1138.6175.1-54.7-27.4000118.4
1131S36Very low33.6Very low94 Ų94134.7 Ų134.766%0.65777%0.768SS**  cis-168.5155.7-20.1-105.40000112.4
1132E34.9Very low33.9Very low186 Ų186139.3 Ų139.387%0.86977%0.774SS**  trans60.4161164.1-63.6179.7100.300120.4
1133S33.8Very low33.9Very low113 Ų113137.4 Ų137.479%0.7977%0.765SS**  cis-168.4157.8-42670000110
1134G35.7Very low34.1Very low68 Ų68137.1 Ų137.170%0.70175%0.753SS**  trans137.372.3157.100000123.8
1135V33.4Very low34.1Very low131 Ų131133.7 Ų133.779%0.79475%0.745SS**  65.1107.5118.1176.10000122
1136L33.5Very low34.1Very low146 Ų146137.5 Ų137.576%0.76474%0.74SS**  trans86.8122.9137.3-66.1173000125.8
1137I34.4Very low33.9Very low142 Ų142137.1 Ų137.173%0.72874%0.738SS**  97.7141.1129.6-76.9168.7000121.6
1138E33.3Very low33.8Very low170 Ų170137.3 Ų137.379%0.79474%0.738SS**  trans-65.2171.8-178.8-55.4161.2104.300112.5
1139D32.4Very low33.3Very low144 Ų144138.4 Ų138.477%0.7774%0.744SS**  -174.1159.775.5-127.3-23.9000114.7
1140V35.3Very low33.1Very low117 Ų117141.3 Ų141.371%0.70975%0.748SS**  trans63.5100.7150.3175.50000120.8
1141N37.5Very low33.1Very low120 Ų120142 Ų14264%0.64275%0.747SS**  50144.5109.8-94.128.7000124.5
1142E34.8Very low33Very low155 Ų155142.7 Ų142.772%0.72475%0.749SS**  trans67.7148.9139.5-69.9163.915100118.6
1143D33.5Very low32.7Very low134 Ų134140.6 Ų140.672%0.71774%0.74SS**  cis-158.9154.1-3.7-131.3-17.5000113.9
1144D33.3Very low32.6Very low141 Ų141141 Ų14175%0.75473%0.733SS**  trans49.6-173.6145.7-148.5-3.5000121.8
1145V34.9Very low32.6Very low119 Ų119144.4 Ų144.472%0.72174%0.74SS**  trans81.665.8168.4-156.70000118.3
1146Q30Very low32.6Very low164 Ų164145.6 Ų145.677%0.76674%0.737SS**  48.7112.6106-168.2175.796.400120.1
1147S28.9Very low32.7Very low104 Ų104147.9 Ų147.973%0.72774%0.744SS**  trans75.5134.7146.778.60000121
1148R30.4Very low32.6Very low207 Ų207146.1 Ų146.178%0.78174%0.74SS**  146.4147.3107.1-167.3170.3-166.1162.65.3112.3R1150R1148-R1150 PolarHBondContact O-N 3.2Å
1149E25.9Very low32.5Very low165 Ų165143.3 Ų143.377%0.77174%0.738SS**  trans-60.2128.5-179.9-52.7123102.400113.3
1150R29Very low32.6Very low209 Ų209145.1 Ų145.179%0.78974%0.742SS**  -171132.9129.5-111.9155.3-66.2156.69.3111.9R1148R1148-R1150 PolarHBondContact O-N 3.2Å
1151E34.4Very low32.7Very low152 Ų152147.3 Ų147.371%0.7174%0.742SS**  trans-66.3150.5146.2-151.8-147116.200108.3E1153E1151-E1153 PolarHBondContact OE1-N 2.96Å
1152P34.1Very low32.6Very low110 Ų110147 Ų14771%0.71475%0.746SS**  -147.4145.799.337.7-21.9000115.9
1153E29.2Very low32.5Very low142 Ų142143.2 Ų143.266%0.66473%0.734SS**  43.8129.6115.1-141.9-155.9130.100120.8E1151E1151-E1153 PolarHBondContact OE1-N 2.96Å
1154N30.6Very low32.7Very low120 Ų120142.4 Ų142.464%0.64273%0.729SS**  trans52.7128.6147.6-88.6-37.6000121.6
1155T36.3Very low32.6Very low141 Ų141142 Ų14287%0.86572%0.723SS**  -161.1141.2111-67.90000109.8
1156E32.3Very low32.3Very low156 Ų156144.4 Ų144.473%0.72973%0.726SS**  trans-84.7154.4176.5-55.616696.400112.6
1157E36.2Very low32.3Very low194 Ų194140.8 Ų140.891%0.90772%0.719SS**  trans-171.7115.9132.2-103.9-178.1159.800108.2
1158T33Very low32.4Very low104 Ų104144.7 Ų144.764%0.63873%0.726SS**  cis98.695.739.4-66.80000113.1
1159C30Very low32.4Very low112 Ų112141.3 Ų141.376%0.75772%0.723SS**  trans176.3143.3140.7-94.30000111.2
1160Q35.9Very low32.9Very low181 Ų181141.9 Ų141.985%0.84673%0.728SS**  cis-158.7156.6-22.6-130.517425.500109.4
1161K35.8Very low33.2Very low163 Ų163142.4 Ų142.471%0.70973%0.73SS**  trans-105164.3-177.1-140.6-170.6171.3-174.70110.7T1163K1161-T1163 HydrophobicContact CD-CG2 4.41Å; K1161-T1163 WeakPolarHBondContact CD-OG1 3.07Å
1162P35.9Very low33.5Very low113 Ų113139.4 Ų139.473%0.73472%0.724SS**  -136.9161.874.638.7-22.5000113.4
1163T33.9Very low33.4Very low76 Ų76140 Ų14047%0.46672%0.721SS.*  59.9142.453.515.30000114K1161K1161-T1163 HydrophobicContact CD-CG2 4.41Å; K1161-T1163 WeakPolarHBondContact CD-OG1 3.07Å
1164D36.5Very low33.6Very low117 Ų117140.2 Ų140.263%0.62673%0.727SS**  cis-156.8163.627.4-127.7-53.2000116.1
1165Q32.5Very low33.8Very low133 Ų133145.4 Ų145.462%0.62174%0.739SS**  trans53.2133.9150.5-82.5152.969.800125.3
1166Q28.6Very low33.7Very low169 Ų169144.1 Ų144.179%0.7973%0.733SS**  trans66.2151.4135.5-69.1174.614.700119.6
1167S29.4Very low33.7Very low88 Ų88139 Ų13962%0.61571%0.712SS**  cis-169.2155.8-14.548.40000110.6
1168E31.3Very low33.4Very low187 Ų187132.4 Ų132.487%0.87469%0.688SS**  trans66.8137.7159.8-67-179146.400120.6
1169D30.9Very low33.3Very low135 Ų135131 Ų13172%0.72268%0.681SS**  trans41.3107.1145.4-158.526.2000120.9
1170M35.7Very low33.2Very low178 Ų178132.3 Ų132.388%0.87768%0.676SS**  -173.2154.6105.8-96.2-179.9-163.100114.3
1171R36Very low32.7Very low220 Ų220128.8 Ų128.883%0.8367%0.671SS**  trans-95.9179.9173.7-131.4-170.8160.6-169.5-5.4108.9
1172P40.4Very low32.5Very low89 Ų89128.9 Ų128.958%0.57868%0.679SS**  cis-141.8-166.6-7.645.1-26.1000115.7
1173D30.3Very low32.4Very low123 Ų123128.1 Ų128.166%0.65867%0.672SS**  trans55.7105147.5-54.3-26.3000121.9
1174N34.1Very low32.2Very low146 Ų146130.6 Ų130.678%0.78169%0.689SS**  173.3119.798.6-95.9-77.1000112.2
1175Y35Very low31.9Very low228 Ų228133.5 Ų133.589%0.89469%0.693SS**  trans-176.4122.6135.4-101.1-65.4000108.8
1176P35.2Very low32Very low115 Ų115132.4 Ų132.475%0.74770%0.695SS**  trans-91.2174.1-173.336.8-36.7000113.7
1177V32.1Very low32.2Very low47 Ų47134 Ų13429%0.28570%0.696SS.*  trans-115113.7-175.9159.30000108.8Q721 T723Q721-V1177 VanDerWaalsContact C-CG1 3.41Å; Q721-V1177 HydrophobicContact CB-CB 4.33Å; Q721-V1177 HydrophobicContact CB-CG1 3.45Å; Q721-V1177 VanDerWaalsContact CB-CG1 3.45Å; Q721-V1177 HydrophobicContact CG-CB 4.43Å; Q721-V1177 HydrophobicContact CG-CG1 3.73Å; Q721-V1177 VanDerWaalsContact O-CG1 3.27Å; Q721-V1177 WeakPolarHBondContact O-CG1 3.42Å; T723-V1177 HydrophobicContact CG2-CG2 4.11Å
1178S29.4Very low32.6Very low56 Ų56135.7 Ų135.739%0.39270%0.702SS.*  trans-170.8141.8159.4-85.60000116.5A719 Q721A719-S1178 VanDerWaalsContact O-CB 3.31Å; A719-S1178 WeakPolarHBondContact O-CB 3.31Å; A719-S1178 PolarHBondContact O-OG 3.02Å; A719-S1178 VanDerWaalsContact O-OG 3.06Å; Q721-S1178 VanDerWaalsContact CB-N 3.29Å
1179C30Very low32.8Very low75 Ų75131.9 Ų131.951%0.50769%0.692SS.*  trans94.7132.8-167.6-86.40000114.5A719 Y720 Q721A719-C1179 VanDerWaalsContact CA-SG 3.58Å; A719-C1179 HydrophobicContact CB-CB 4.1Å; A719-C1179 WeakPolarHBondContact CB-SG 3.02Å; Y720-C1179 CarbonylContact O-C 3.57Å; Y720-C1179 WeakPolarHBondContact O-CA 3.35Å; Y720-C1179 PolarHBondContact O-N 2.94Å; Q721-C1179 WeakPolarHBondContact CB-O 3.33Å
1180Q27.8Very low32.8Very low140 Ų140129.4 Ų129.465%0.65468%0.684SS**  cis78.7146.3-3.4-79.1178.232.700124.2Y720Y720-Q1180 WeakPolarHBondContact O-CB 3.24Å; Y720-Q1180 VanDerWaalsContact O-CD 3.24Å; Y720-Q1180 WeakPolarHBondContact O-CG 3.45Å; Y720-Q1180 PolarHBondContact O-N 3.41Å; Y720-Q1180 PolarHBondContact O-NE2 2.9Å
1181S26.7Very low32.8Very low106 Ų106127 Ų12774%0.74167%0.674SS**  trans56.990.5159.1-179.30000119.7
1182L30.5Very low32.7Very low165 Ų165121.1 Ų121.186%0.86467%0.666SS**  trans-154.693.9154.3-111145.6000115.7
1183V34.9Very low32.4Very low97 Ų97123 Ų12359%0.58867%0.672SS**  trans46113.7135.7-168.60000120.6Y1185V1183-Y1185 HydrophobicContact CG1-CD2 3.44Å; V1183-Y1185 VanDerWaalsContact CG1-CD2 3.44Å; V1183-Y1185 HydrophobicContact CG1-CE2 4.36Å; V1183-Y1185 HydrophobicContact CG1-CG 3.94Å; V1183-Y1185 PolarHBondContact O-N 2.92Å
1184P29.8Very low32.7Very low128 Ų128123.5 Ų123.583%0.83167%0.673SS**  trans-85.581.1165.234.8-33.4000112.4
1185Y29.1Very low32.7Very low178 Ų178120.6 Ų120.670%0.69867%0.669SS**  trans-131.163.3176.7-92.3-108.6000112.7V1183V1183-Y1185 HydrophobicContact CG1-CD2 3.44Å; V1183-Y1185 VanDerWaalsContact CG1-CD2 3.44Å; V1183-Y1185 HydrophobicContact CG1-CE2 4.36Å; V1183-Y1185 HydrophobicContact CG1-CG 3.94Å; V1183-Y1185 PolarHBondContact O-N 2.92Å
1186T35.6Very low32.7Very low110 Ų110114 Ų11468%0.67566%0.657SS**SBendtrans-130.6-22175.246.70000114.7V1188T1186-V1188 PolarHBondContact O-N 2.89Å
1187Y31.8Very low32.4Very low204 Ų204117.5 Ų117.580%0.866%0.663SS**THydrogen-bonded Turntrans-80.6-16.8-169.1-127.3-92000115.9
1188V38Very low32.3Very low122 Ų122124.4 Ų124.474%0.73969%0.692SS**THydrogen-bonded Turntrans-78.1-21.9-173.8-176.50000112.6T1186T1186-V1188 PolarHBondContact O-N 2.89Å
1189T35.7Very low32.4Very low108 Ų108131.3 Ų131.366%0.66372%0.718SS**SBendtrans-79.1-21.1-174.1-360000113.6
1190C30.7Very low32.6Very low83 Ų83133.5 Ų133.556%0.56173%0.729SS**G310 helixtrans-78.9-30.3-175.3-64.90000113.7S1192 N1193C1190-S1192 PolarHBondContact O-N 3.28Å; C1190-N1193 PolarHBondContact O-N 2.86Å
1191L35.6Very low32.8Very low128 Ų128135.1 Ų135.167%0.6774%0.737SS**G310 helixtrans-73.5-6.6-174.2-66.3176.3000114.4I1194L1191-I1194 HydrophobicContact CD2-CD1 4.22Å
1192S34.9Very low33.3Very low95 Ų95137.5 Ų137.566%0.66474%0.741SS**G310 helixtrans-86.7-8.7174.6-60.30000114.1C1190C1190-S1192 PolarHBondContact O-N 3.28Å
1193N33.8Very low33.3Very low130 Ų130136 Ų13670%0.69573%0.734SS**SBendtrans-105.21.7-172.2-67.8-2.5000114.2C1190C1190-N1193 PolarHBondContact O-N 2.86Å
1194I35.5Very low33.4Very low132 Ų132137.3 Ų137.368%0.67774%0.742SS**SBendtrans-91.7-2-174.3-57.1175.7000111.6L1191L1191-I1194 HydrophobicContact CD2-CD1 4.22Å
1195A35.3Very low33.6Very low86 Ų86137.1 Ų137.171%0.71174%0.741SS**SBendtrans-100.235.5-177.800000113.6
1196S34.1Very low33.6Very low90 Ų90134.2 Ų134.263%0.62975%0.745SS**  trans-14967.1-178.4-60.30000112
1197E28.9Very low33.6Very low187 Ų187135 Ų13587%0.87476%0.756SS**  trans-86.7147.5158.9-64.6-172.9110.300109.4
1198Q29.3Very low33.4Very low193 Ų193128.6 Ų128.690%0.90275%0.751SS**  trans79.380.9-167.7-55.2-171.1-8.900116.7
1199E32.8Very low33.1Very low201 Ų201128.4 Ų128.494%0.93976%0.755SS**  -150164.8109.4-124.1179.8137.300110.3
1200V32.9Very low33Very low121 Ų121127.5 Ų127.573%0.73375%0.753SS**  trans-115.8158.8-164.4163.80000111.5
1201Q32.9Very low33.2Very low174 Ų174131.9 Ų131.981%0.81376%0.763SS**  trans86.1146.8167.5-83.9152.7-6.500120.8
1202N36.4Very low33.1Very low155 Ų155132.7 Ų132.783%0.82977%0.768SS**  trans70.2104.7167.3-66.8-12.2000120.5
1203N31.2Very low33.3Very low135 Ų135136.3 Ų136.372%0.72278%0.779SS**  trans-87.7133.1173.4-53.5-90.8000111.3
1204T36.5Very low33.2Very low124 Ų124137 Ų13776%0.76178%0.782SS**  trans-149.4110155.1-59.80000110.4
1205P34.3Very low33.1Very low123 Ų123135.2 Ų135.280%0.79978%0.778SS**  trans-92.2119172.933.1-29.1000111.3
1206C29.8Very low32.9Very low118 Ų118137 Ų13780%0.79778%0.781SS**  trans-100.6113.5170.6-65.70000110.7
1207S34.3Very low32.9Very low127 Ų127137.6 Ų137.689%0.88879%0.785SS**  trans-66.1153.7168.7-59.30000111.7
1208G29.4Very low33.1Very low69 Ų69133.4 Ų133.471%0.71178%0.776SS**  trans-145.2157.3173.500000111.5
1209S30.6Very low33.2Very low117 Ų117129.7 Ų129.782%0.81877%0.767SS**  trans75.2135-158.6-153.60000111.8
1210S33.5Very low33.1Very low90 Ų90124.5 Ų124.563%0.62975%0.752SS**  cis-151.6159.916.6-136.10000114.1
1211K36.3Very low33.1Very low175 Ų175128.3 Ų128.376%0.76176%0.755SS**  trans70.2107.2158-63.7166-175.3176.30119.4
1212D32.2Very low33.1Very low145 Ų145127 Ų12778%0.77575%0.749SS**  38.7110.9119.1-42.1-43.9000119.7
1213L39Very low33Very low170 Ų170129.2 Ų129.289%0.8975%0.745SS**  -173.9170.6120.6-100.1162.1000111.9
1214N32.9Very low33Very low144 Ų144128.1 Ų128.177%0.7774%0.74SS**  trans-67.6168.3170.2-63.7-44.3000110.1
1215T33.2Very low33Very low95 Ų95130.5 Ų130.558%0.58374%0.742SS**  cis-158.1164.240.7-570000113.2
1216T30.9Very low33Very low125 Ų125132.7 Ų132.777%0.76774%0.742SS**  trans-66.1132.7-179.7-53.90000116.2
1217S34.2Very low33.3Very low102 Ų102135.4 Ų135.471%0.71374%0.743SS**  trans172.1130.5141.3-81.90000108.9
1218S32Very low33.4Very low99 Ų99133.6 Ų133.669%0.69273%0.73SS**  cis63.4123.247.891.20000112.3
1219T32.5Very low33.9Very low115 Ų115138.1 Ų138.171%0.70673%0.733SS**  cis-159.5155.224.647.60000113.2
1220S29.9Very low34.3Very low92 Ų92139.1 Ų139.164%0.64373%0.729SS**  trans63.2156.3149.868.30000119
1221Y34.3Very low34.2Very low201 Ų201139.8 Ų139.879%0.78873%0.734SS**  cis-143.516324-109.6-78.1000113.6
1222Q32.8Very low34.4Very low145 Ų145143.2 Ų143.268%0.67876%0.76SS**  trans-70.4158.6161.6-54163-90.200111.6
1223R33.1Very low34.5Very low202 Ų202143.1 Ų143.176%0.76276%0.759SS**  -168.7145.1107.4-173.1159-74100.30.7113.4
1224D32.1Very low34.3Very low113 Ų113141.7 Ų141.760%0.60475%0.752SS**  trans-65147.4-177.9-30.5-86.4000115.3
1225Q36Very low34.4Very low174 Ų174141.6 Ų141.681%0.81375%0.751SS**  trans157.5121.9132-84.616433.100108.5
1226Q33.7Very low34.4Very low169 Ų169144.3 Ų144.379%0.7976%0.761SS**  cis88.5140.747.3-168.9178.119.600112
1227Q37.1Very low34.6Very low175 Ų175145.5 Ų145.582%0.81876%0.761SS**  trans73.5119.8-168.7-69.7166.5-28.500112.1
1228S36Very low34.7Very low88 Ų88148.4 Ų148.462%0.61576%0.764SS**  75.4142.864.884.90000112
1229E39.1Very low34.9Very low164 Ų164151.9 Ų151.977%0.76677%0.769SS**  cis-144.1173.515.1-117.9127.7129.100111.5
1230D38.9Very low35.1Very low139 Ų139154.8 Ų154.874%0.74377%0.774SS**  trans31.9126.4157-101.6-55.7000124.5
1231S33.2Very low35.5Very low104 Ų104160 Ų16073%0.72779%0.785SS**  trans46.1107.3131.2-57.80000122.6
1232D39.7Very low35.6Very low246 Ų246156.3 Ų156.3100%1.31679%0.785SS**  -1510122.7-118.1-8.6000109.1

Retrieved 1,232 of 1,232 residues in 541.3 ms (Link to these results)