A0A077ZC86_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZC86, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 382 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
1M78.6Confident91.7Very high214 Ų214128.2 Ų128.2100%1.05459%0.594SS**  0-46.60-152.4178.4-72.300110.8R3 E4M1-R3 PolarHBondContact O-N 3.26Å; M1-E4 PolarHBondContact O-N 3.03Å
2E91.8Very high91.6Very high158 Ų158128.3 Ų128.374%0.73860%0.595SS**Hα-helixtrans-59-30-177.1-146.8170.5-162.900116.6T5 L6E2-T5 WeakPolarHBondContact CA-OG1 2.95Å; E2-T5 PolarHBondContact O-OG1 2.96Å; E2-L6 PolarHBondContact O-N 3.3Å
3R92.6Very high91.2Very high224 Ų224123.3 Ų123.385%0.84559%0.59SS**Hα-helixtrans-69.4-34.2178.8-169.9177.5-179.7-1780.7113.2M1 R7M1-R3 PolarHBondContact O-N 3.26Å; R3-R7 PolarHBondContact O-N 3.11Å
4E93.9Very high90.8Very high73 Ų73127.1 Ų127.134%0.34160%0.595SS.*Hα-helixtrans-78.8-30.5-178.7-173.360.7-167.800111.6M1 R7 R8M1-E4 PolarHBondContact O-N 3.03Å; E4-R7 PolarHBondContact O-N 3.01Å; E4-R7 IonicContact OE1-CZ 3.68Å; E4-R7 IonicContact OE1-NE 2.97Å; E4-R7 PolarHBondContact OE1-NE 3.2Å; E4-R7 IonicContact OE1-NH2 3.52Å; E4-R7 PolarHBondContact OE1-NH2 3.36Å; E4-R7 IonicContact OE2-CZ 3.62Å; E4-R7 IonicContact OE2-NE 2.81Å; E4-R7 PolarHBondContact OE2-NE 3.21Å; E4-R7 IonicContact OE2-NH2 3.77Å; E4-R8 PolarHBondContact O-N 3.39Å
5T94.5Very high90.3Very high74 Ų74132.5 Ų132.545%0.45461%0.608SS.*Hα-helixtrans-66.5-42.7173.649.40000111.4E2 R7 R8 Q9E2-T5 WeakPolarHBondContact CA-OG1 2.95Å; E2-T5 PolarHBondContact O-OG1 2.96Å; T5-R7 VanDerWaalsContact C-N 3.33Å; T5-R7 PolarHBondContact O-N 3.08Å; T5-R8 PolarHBondContact O-N 3.34Å; T5-Q9 WeakPolarHBondContact O-CB 3.13Å; T5-Q9 PolarHBondContact O-N 3.5Å
6L94.4Very high89.5Confident106 Ų106129.4 Ų129.456%0.55561%0.605SS**Hα-helixtrans-64.2-37173.9-70.3172.5000112.3E2 Q9 A10E2-L6 PolarHBondContact O-N 3.3Å; L6-Q9 PolarHBondContact O-N 2.93Å; L6-A10 WeakPolarHBondContact O-CB 3.19Å; L6-A10 PolarHBondContact O-N 3.47Å
7R94.4Very high88.1Confident138 Ų138124.5 Ų124.552%0.52160%0.597SS.*Hα-helixtrans-63.3-44.6176-164.7177.277.199.85.9111.8R3 E4 T5 E11R3-R7 PolarHBondContact O-N 3.11Å; E4-R7 PolarHBondContact O-N 3.01Å; E4-R7 IonicContact OE1-CZ 3.68Å; E4-R7 IonicContact OE1-NE 2.97Å; E4-R7 PolarHBondContact OE1-NE 3.2Å; E4-R7 IonicContact OE1-NH2 3.52Å; E4-R7 PolarHBondContact OE1-NH2 3.36Å; E4-R7 IonicContact OE2-CZ 3.62Å; E4-R7 IonicContact OE2-NE 2.81Å; E4-R7 PolarHBondContact OE2-NE 3.21Å; E4-R7 IonicContact OE2-NH2 3.77Å; T5-R7 VanDerWaalsContact C-N 3.33Å; T5-R7 PolarHBondContact O-N 3.08Å; R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 PolarHBondContact O-N 3.03Å; R7-E11 VanDerWaalsContact O-N 3.1Å
8R93.8Very high86.5Confident157 Ų157122.3 Ų122.359%0.59260%0.603SS**Hα-helixtrans-64.7-43.5175-74.6-172.8-162.3143.54.1112.4E4 T5 A10 E11 E12E4-R8 PolarHBondContact O-N 3.39Å; T5-R8 PolarHBondContact O-N 3.34Å; R8-A10 VanDerWaalsContact C-N 3.32Å; R8-A10 PolarHBondContact O-N 3.3Å; R8-E11 PolarHBondContact O-N 3.36Å; R8-E11 VanDerWaalsContact O-N 3.13Å; R8-E12 WeakPolarHBondContact O-CB 3.44Å; R8-E12 PolarHBondContact O-N 3.26Å
9Q92.5Very high85.1Confident128 Ų128122.4 Ų122.460%0.59861%0.611SS**Hα-helixtrans-62.5-39.5179.2-168.61781000112T5 L6 E12 A13T5-Q9 WeakPolarHBondContact O-CB 3.13Å; T5-Q9 PolarHBondContact O-N 3.5Å; L6-Q9 PolarHBondContact O-N 2.93Å; Q9-E12 PolarHBondContact O-N 2.89Å; Q9-A13 VanDerWaalsContact O-CB 3.32Å; Q9-A13 WeakPolarHBondContact O-CB 3.44Å; Q9-A13 PolarHBondContact O-N 2.82Å
10A91Very high83.8Confident53 Ų53124.6 Ų124.644%0.43862%0.619SS.*Hα-helixtrans-70.8-28.217500000113.4L6 R8 R14L6-A10 WeakPolarHBondContact O-CB 3.19Å; L6-A10 PolarHBondContact O-N 3.47Å; R8-A10 VanDerWaalsContact C-N 3.32Å; R8-A10 PolarHBondContact O-N 3.3Å; A10-R14 WeakPolarHBondContact O-CG 3.48Å; A10-R14 PolarHBondContact O-N 2.99Å; A10-R14 PolarHBondContact O-NE 2.9Å
11E91Very high82.5Confident85 Ų85122.1 Ų122.140%0.39761%0.614SS.*Hα-helixtrans-77.7-36174.4-165.3161.7-172.800111.9R7 R8 R14 R15R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 PolarHBondContact O-N 3.03Å; R7-E11 VanDerWaalsContact O-N 3.1Å; R8-E11 PolarHBondContact O-N 3.36Å; R8-E11 VanDerWaalsContact O-N 3.13Å; E11-R14 PolarHBondContact O-N 3.25Å; E11-R15 PolarHBondContact O-N 3.32Å; E11-R15 VanDerWaalsContact O-N 3.08Å
12E90.3Very high81.7Confident129 Ų129119.7 Ų119.760%0.60360%0.604SS**Hα-helixtrans-69-41.5172.7-170.9161.9-160.900111.7R8 Q9 R14 R15 C16R8-E12 WeakPolarHBondContact O-CB 3.44Å; R8-E12 PolarHBondContact O-N 3.26Å; Q9-E12 PolarHBondContact O-N 2.89Å; E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 3.03Å; E12-R15 PolarHBondContact O-N 2.76Å; E12-C16 PolarHBondContact O-N 2.91Å; E12-C16 PolarHBondContact O-SG 3.35Å
13A87.1Confident80.5Confident64 Ų64118.9 Ų118.953%0.52961%0.605SS.*Hα-helixtrans-59.8-36.5172.300000112.4Q9 G17Q9-A13 VanDerWaalsContact O-CB 3.32Å; Q9-A13 WeakPolarHBondContact O-CB 3.44Å; Q9-A13 PolarHBondContact O-N 2.82Å; A13-G17 PolarHBondContact O-N 2.95Å
14R85.3Confident79.2Confident177 Ų177111.2 Ų111.267%0.66860%0.595SS**Hα-helixtrans-70.7-29.1173.6-76.5-176.2-70.4164.42.5113.3A10 E11 E12A10-R14 WeakPolarHBondContact O-CG 3.48Å; A10-R14 PolarHBondContact O-N 2.99Å; A10-R14 PolarHBondContact O-NE 2.9Å; E11-R14 PolarHBondContact O-N 3.25Å; E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 3.03Å
15R84.1Confident77.9Confident207 Ų207112.5 Ų112.578%0.78161%0.608SS**Hα-helixtrans-75.9-39.5173-81.8-173173179.1-1.3112.5E11 E12E11-R15 PolarHBondContact O-N 3.32Å; E11-R15 VanDerWaalsContact O-N 3.08Å; E12-R15 PolarHBondContact O-N 2.76Å
16C77.4Confident76.4Confident84 Ų84113.9 Ų113.957%0.56862%0.618SS**Hα-helixtrans-78.5-34.2-179.1-66.30000112.5E12 A18 T19E12-C16 PolarHBondContact O-N 2.91Å; E12-C16 PolarHBondContact O-SG 3.35Å; C16-A18 VanDerWaalsContact C-N 3.3Å; C16-A18 PolarHBondContact O-N 3.5Å; C16-T19 PolarHBondContact O-OG1 3.07Å
17G64.6Low75Confident45 Ų45116.2 Ų116.246%0.46463%0.63SS.*G310 helixtrans-75.3-7.2-176.200000115.9A13 T19A13-G17 PolarHBondContact O-N 2.95Å; G17-T19 VanDerWaalsContact C-N 3.29Å; G17-T19 PolarHBondContact O-N 3.03Å
18A59.6Low73.5Confident85 Ų85116.3 Ų116.370%0.70264%0.641SS**G310 helixtrans-86.48.1-177.200000114.4C16C16-A18 VanDerWaalsContact C-N 3.3Å; C16-A18 PolarHBondContact O-N 3.5Å
19T59.6Low72.2Confident125 Ų125113.9 Ų113.977%0.76765%0.648SS**G310 helixtrans-110.610177.854.40000113.7C16 G17 S21C16-T19 PolarHBondContact O-OG1 3.07Å; G17-T19 VanDerWaalsContact C-N 3.29Å; G17-T19 PolarHBondContact O-N 3.03Å; T19-S21 PolarHBondContact O-N 3.38Å
20E59.2Low70.8Confident165 Ų165113.1 Ų113.177%0.77165%0.648SS**  trans-69.5105.9172-70.4-169.6167.900109.8I22E20-I22 PolarHBondContact O-N 2.95Å
21S57.9Low70Confident73 Ų73114.5 Ų114.551%0.5167%0.667SS.*  trans-36.3120.3171.556.20000111.8T19 N23T19-S21 PolarHBondContact O-N 3.38Å; S21-N23 PolarHBondContact O-N 3.41Å
22I60.3Low69.5Low164 Ų164116.4 Ų116.484%0.84169%0.685SS**THydrogen-bonded Turntrans-65-2.1180-63.7170.1000112.5E20E20-I22 PolarHBondContact O-N 2.95Å
23N66.4Low69.2Low141 Ų141117.5 Ų117.575%0.75469%0.688SS**THydrogen-bonded Turntrans-147.115.7-179.9-86.2-31.8000116.7S21 V25S21-N23 PolarHBondContact O-N 3.41Å; N23-V25 PolarHBondContact O-N 3Å
24G65.2Low69.2Low62 Ų62119.5 Ų119.564%0.63970%0.695SS**SBendtrans613.5175.700000116.3P26G24-P26 WeakPolarHBondContact O-CD 3.49Å
25V67.8Low69.3Low101 Ų101118.3 Ų118.361%0.61270%0.701SS**  trans-89.8115.6170.4-176.30000106.6N23 L27N23-V25 PolarHBondContact O-N 3Å; V25-L27 PolarHBondContact O-N 3.45Å
26P62.2Low69.7Low103 Ų103116.6 Ų116.667%0.66970%0.699SS**  trans-53.9114.9168.2-18.229.8000107.3G24 D28G24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-D28 VanDerWaalsContact C-N 3.34Å; P26-D28 PolarHBondContact O-N 3.14Å
27L65.1Low70.5Confident154 Ų154115.3 Ų115.381%0.80670%0.701SS**  trans-63.9107.1164.7-75.1169.3000104.9V25 S29V25-L27 PolarHBondContact O-N 3.45Å; L27-S29 WeakPolarHBondContact O-CB 3.42Å; L27-S29 PolarHBondContact O-N 3.49Å; L27-S29 PolarHBondContact O-OG 3.23Å
28D64.2Low71.8Confident141 Ų141118.5 Ų118.575%0.75471%0.713SS**  trans-56.782.3166.9-77.3-29000107.6P26 D30P26-D28 VanDerWaalsContact C-N 3.34Å; P26-D28 PolarHBondContact O-N 3.14Å; D28-D30 PolarHBondContact O-N 3.02Å; D28-D30 VanDerWaalsContact O-N 3.11Å
29S64.8Low73.4Confident105 Ų105121 Ų12173%0.73472%0.722SS**  trans-87.238.6-174.346.90000110.4L27 G31L27-S29 WeakPolarHBondContact O-CB 3.42Å; L27-S29 PolarHBondContact O-N 3.49Å; L27-S29 PolarHBondContact O-OG 3.23Å; S29-G31 PolarHBondContact O-N 3.24Å
30D64.9Low75.1Confident112 Ų112121.1 Ų121.160%0.59972%0.722SS**  trans-64.882.3152.3-74.2-17.1000105.5D28 T32 K33D28-D30 PolarHBondContact O-N 3.02Å; D28-D30 VanDerWaalsContact O-N 3.11Å; D30-T32 PolarHBondContact O-N 3.3Å; D30-T32 PolarHBondContact O-OG1 3.13Å; D30-K33 PolarHBondContact O-N 2.81Å
31G73.9Confident76.7Confident82 Ų82121.5 Ų121.585%0.84572%0.722SS**THydrogen-bonded Turntrans-62.421.7-17600000114.6S29S29-G31 PolarHBondContact O-N 3.24Å
32T80.3Confident78.4Confident126 Ų126125.3 Ų125.377%0.77373%0.734SS**THydrogen-bonded Turntrans-98.2-14.417646.60000112.7D30D30-T32 PolarHBondContact O-N 3.3Å; D30-T32 PolarHBondContact O-OG1 3.13Å
33K83Confident79.7Confident152 Ų152122.9 Ų122.966%0.66173%0.731SS**SBendtrans-87.3126.7177.2-68.4177.5-173.9166.20111D30D30-K33 PolarHBondContact O-N 2.81Å
34P86.6Confident80.4Confident105 Ų105121.1 Ų121.168%0.68272%0.721SS**  trans-63.6144.5174.627.7-33.8000110.5F36P34-F36 PolarHBondContact O-N 2.94Å
35I89.2Confident81Confident153 Ų153126.9 Ų126.979%0.78572%0.724SS**SBendtrans-58.3-36.6177.8-63.4172.4000110.9
36F92.4Very high82.1Confident170 Ų170127.5 Ų127.575%0.74672%0.724SS**SBendtrans-106.1134.4178.7-61.3-73.3000110.6P34P34-F36 PolarHBondContact O-N 2.94Å
37G92.4Very high83.6Confident58 Ų58126.7 Ų126.760%0.59871%0.714SS**PPolyproline II helixtrans-63.4164.5165.800000111.5
38P93.1Very high85.1Confident112 Ų112123.6 Ų123.673%0.72771%0.705SS**PPolyproline II helixtrans-59.3142.617426.4-33.5000110.3V40P38-V40 PolarHBondContact O-N 3.26Å
39P93.3Very high86.5Confident137 Ų137121.7 Ų121.789%0.8969%0.694SS**PPolyproline II helixtrans-54.5136.2176.6-2634.1000112.1
40V94.6Very high87.9Confident128 Ų128120.4 Ų120.478%0.77668%0.677SS**  trans-107.8135.2179.7-177.10000109.6P38 I42P38-V40 PolarHBondContact O-N 3.26Å; V40-I42 PolarHBondContact O-N 2.93Å
41K93.6Very high89.3Confident173 Ų173121.3 Ų121.375%0.75267%0.672SS**  trans-70.3118.3174.9-67.4-170.9177.3-168.70109.9
42I92.8Very high90.4Very high152 Ų152124.4 Ų124.478%0.77966%0.662SS**  trans-87.3121.5174.1-59.4172.1000108V40 N44V40-I42 PolarHBondContact O-N 2.93Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 HydrophobicContact CG2-CB 3.9Å
43C88.7Confident91.1Very high114 Ų114122.7 Ų122.777%0.7765%0.647SS**  trans-91.410.5-178.7-64.40000113.5R45C43-R45 PolarHBondContact O-N 3.2Å; C43-R45 VanDerWaalsContact O-N 3.08Å
44N80.7Confident91.7Very high103 Ų103119.3 Ų119.355%0.55163%0.634SS**  trans-73.9102.2-179.5-169.7-3.5000110.2I42 D46I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 HydrophobicContact CG2-CB 3.9Å; N44-D46 VanDerWaalsContact C-N 3.28Å; N44-D46 PolarHBondContact O-N 3.21Å; N44-D46 PolarHBondContact OD1-N 3.17Å
45R77.6Confident92.1Very high184 Ų184123.2 Ų123.269%0.69464%0.64SS**THydrogen-bonded Turntrans-84.21.2-177.3-67.3-176.1177.5174.3-1.3113.7C43C43-R45 PolarHBondContact O-N 3.2Å; C43-R45 VanDerWaalsContact O-N 3.08Å
46D90.4Very high92.5Very high113 Ų113120.4 Ų120.460%0.60463%0.633SS**THydrogen-bonded Turntrans-91.9-3.3-172.8-68.3-44.6000114.7N44 S48 R51N44-D46 VanDerWaalsContact C-N 3.28Å; N44-D46 PolarHBondContact O-N 3.21Å; N44-D46 PolarHBondContact OD1-N 3.17Å; D46-S48 PolarHBondContact O-N 3.47Å; D46-R51 PolarHBondContact O-NH2 3.48Å; D46-R51 IonicContact OD1-NH1 3.36Å
47D93.9Very high92.6Very high86 Ų86118 Ų11846%0.4663%0.627SS.*  trans-66.3126.6173.8-169.7-6.7000110.5L49 H50 R51D47-L49 PolarHBondContact O-N 2.76Å; D47-L49 PolarHBondContact OD1-N 3.18Å; D47-L49 VanDerWaalsContact OD1-N 3.08Å; D47-H50 HydrophobicContact CB-CB 3.87Å; D47-H50 PolarHBondContact O-N 2.94Å; D47-R51 PolarHBondContact O-N 3.02Å
48S95.6Very high92.8Very high90 Ų90117 Ų11763%0.62962%0.617SS**Hα-helixtrans-61.9-34.2178.7610000111.2D46 R51 K52D46-S48 PolarHBondContact O-N 3.47Å; S48-R51 PolarHBondContact O-N 2.96Å; S48-K52 WeakPolarHBondContact O-CB 3.33Å; S48-K52 PolarHBondContact O-N 2.98Å
49L95.4Very high92.8Very high100 Ų100114.6 Ų114.652%0.52460%0.598SS.*Hα-helixtrans-66.8-46.2175-179.462.7000111D47 R51 K52 L53D47-L49 PolarHBondContact O-N 2.76Å; D47-L49 PolarHBondContact OD1-N 3.18Å; D47-L49 VanDerWaalsContact OD1-N 3.08Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.49Å; L49-K52 PolarHBondContact O-N 3.44Å; L49-L53 HydrophobicContact CD1-CD1 4.26Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 4.05Å; L49-L53 HydrophobicContact CG-CG 4.46Å; L49-L53 WeakPolarHBondContact O-CB 3.36Å; L49-L53 WeakPolarHBondContact O-CG 3.23Å; L49-L53 PolarHBondContact O-N 3.35Å
50H93.9Very high92.8Very high79 Ų79114.2 Ų114.237%0.36658%0.582SS.*Hα-helixtrans-57.3-45.4176.1179.973.7000111.3D47 K52 L53 Q54D47-H50 HydrophobicContact CB-CB 3.87Å; D47-H50 PolarHBondContact O-N 2.94Å; H50-K52 PolarHBondContact O-N 3.27Å; H50-L53 PolarHBondContact O-N 3.25Å; H50-Q54 VanDerWaalsContact O-CB 3.3Å; H50-Q54 WeakPolarHBondContact O-CB 3.27Å; H50-Q54 PolarHBondContact O-N 2.89Å
51R94.8Very high92.8Very high130 Ų130112.8 Ų112.849%0.49157%0.571SS.*Hα-helixtrans-62.9-40.7176.5-73.6-171.4-86.6-142.2-1.2112.8D46 D47 S48 L49 K55D46-R51 PolarHBondContact O-NH2 3.48Å; D46-R51 IonicContact OD1-NH1 3.36Å; D47-R51 PolarHBondContact O-N 3.02Å; S48-R51 PolarHBondContact O-N 2.96Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.49Å; R51-K55 WeakPolarHBondContact O-CB 3.23Å; R51-K55 PolarHBondContact O-N 2.94Å
52K96.5Very high92.7Very high148 Ų148109.8 Ų109.864%0.64356%0.563SS**Hα-helixtrans-64.9-47.1176.6-170176.2-179.2-178.80111.1S48 L49 H50 K55 C56S48-K52 WeakPolarHBondContact O-CB 3.33Å; S48-K52 PolarHBondContact O-N 2.98Å; L49-K52 PolarHBondContact O-N 3.44Å; H50-K52 PolarHBondContact O-N 3.27Å; K52-K55 PolarHBondContact O-N 3.13Å; K52-C56 PolarHBondContact O-N 2.9Å; K52-C56 PolarHBondContact O-SG 3.21Å; K52-C56 VanDerWaalsContact O-SG 3.33Å
53L95.3Very high92.7Very high89 Ų89105 Ų10547%0.46654%0.54SS..Hα-helixtrans-62.2-45.9177.9-71.6173.3000111.9L49 H50 K55 C56 L57L49-L53 HydrophobicContact CD1-CD1 4.26Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 4.05Å; L49-L53 HydrophobicContact CG-CG 4.46Å; L49-L53 WeakPolarHBondContact O-CB 3.36Å; L49-L53 WeakPolarHBondContact O-CG 3.23Å; L49-L53 PolarHBondContact O-N 3.35Å; H50-L53 PolarHBondContact O-N 3.25Å; L53-K55 VanDerWaalsContact C-N 3.28Å; L53-K55 PolarHBondContact O-N 3.44Å; L53-C56 PolarHBondContact O-N 3.01Å; L53-L57 HydrophobicContact CD2-CD1 4.46Å; L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 PolarHBondContact O-N 2.78Å
54Q94.3Very high92.9Very high81 Ų81100.8 Ų100.838%0.37951%0.512SS..Hα-helixtrans-63-35177.2-170178.924.700111.9H50 G58H50-Q54 VanDerWaalsContact O-CB 3.3Å; H50-Q54 WeakPolarHBondContact O-CB 3.27Å; H50-Q54 PolarHBondContact O-N 2.89Å; Q54-G58 CarbonylContact O-C 3.43Å; Q54-G58 WeakPolarHBondContact O-CA 3.26Å; Q54-G58 PolarHBondContact O-N 3.46Å
55K96.4Very high93.4Very high187 Ų18797.4 Ų97.481%0.81350%0.502SS*.Hα-helixtrans-69.4-39175.3-172179.8179.6-175.30112.4R51 K52 L53R51-K55 WeakPolarHBondContact O-CB 3.23Å; R51-K55 PolarHBondContact O-N 2.94Å; K52-K55 PolarHBondContact O-N 3.13Å; L53-K55 VanDerWaalsContact C-N 3.28Å; L53-K55 PolarHBondContact O-N 3.44Å
56C96.5Very high94Very high94 Ų9492.6 Ų92.664%0.63548%0.484SS*.Hα-helixtrans-78.3-39.1-178.6-68.60000113.1K52 L53K52-C56 PolarHBondContact O-N 2.9Å; K52-C56 PolarHBondContact O-SG 3.21Å; K52-C56 VanDerWaalsContact O-SG 3.33Å; L53-C56 PolarHBondContact O-N 3.01Å
57L95.4Very high94Very high120 Ų12088.7 Ų88.763%0.62846%0.464SS*.Hα-helixtrans-107.9-9.4-171.2-58177.5000113.7L53L53-L57 HydrophobicContact CD2-CD1 4.46Å; L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 PolarHBondContact O-N 2.78Å
58G95.1Very high93.7Very high36 Ų3687.6 Ų87.637%0.37146%0.455SS..  trans81.7-168.4-172.100000113.1Q54Q54-G58 CarbonylContact O-C 3.43Å; Q54-G58 WeakPolarHBondContact O-CA 3.26Å; Q54-G58 PolarHBondContact O-N 3.46Å
59N94.5Very high93Very high63 Ų6388.8 Ų88.834%0.33745%0.448SS..  trans-76.9125.5178-177.713000110.4D61 D62 V63N59-D61 VanDerWaalsContact C-N 3.27Å; N59-D61 PolarHBondContact O-N 2.68Å; N59-D61 PolarHBondContact OD1-N 2.94Å; N59-D62 WeakPolarHBondContact CB-OD2 3.47Å; N59-D62 PolarHBondContact ND2-OD2 3.24Å; N59-D62 PolarHBondContact O-N 2.85Å; N59-D62 VanDerWaalsContact O-N 3.13Å; N59-V63 PolarHBondContact O-N 3.27Å
60F93.7Very high92.2Very high128 Ų12889.5 Ų89.556%0.56145%0.453SS*.Hα-helixtrans-58.5-37.7-177.7178.1-98.3000112.6D62 V63 S64 F68F60-D62 PolarHBondContact O-N 3.47Å; F60-V63 PolarHBondContact O-N 2.76Å; F60-S64 WeakPolarHBondContact O-CA 3.37Å; F60-S64 WeakPolarHBondContact O-CB 3.16Å; F60-S64 PolarHBondContact O-N 3.25Å; F60-S64 PolarHBondContact O-OG 3.43Å; F60-F68 HydrophobicContact CE2-CE2 4.5Å; F60-F68 HydrophobicContact CZ-CE2 4.01Å
61D93.2Very high91.2Very high99 Ų9989.5 Ų89.553%0.52945%0.454SS..Hα-helixtrans-62-34.9-179.3-69.7-38.3000111.5N59 S64N59-D61 VanDerWaalsContact C-N 3.27Å; N59-D61 PolarHBondContact O-N 2.68Å; N59-D61 PolarHBondContact OD1-N 2.94Å; D61-S64 PolarHBondContact O-OG 3.49Å
62D93.1Very high89.8Confident109 Ų10991.6 Ų91.658%0.58347%0.469SS*.Hα-helixtrans-74-37.5178.5-59.1-31.1000112N59 F60 Y66N59-D62 WeakPolarHBondContact CB-OD2 3.47Å; N59-D62 PolarHBondContact ND2-OD2 3.24Å; N59-D62 PolarHBondContact O-N 2.85Å; N59-D62 VanDerWaalsContact O-N 3.13Å; F60-D62 PolarHBondContact O-N 3.47Å; D62-Y66 WeakPolarHBondContact O-CD2 3.12Å; D62-Y66 WeakPolarHBondContact O-CE2 3.5Å
63V91.1Very high88Confident52 Ų5292 Ų9232%0.31547%0.467SS..Hα-helixtrans-82.8-32.5-177.7-177.70000112.1N59 F60 G65 Y66 L67N59-V63 PolarHBondContact O-N 3.27Å; F60-V63 PolarHBondContact O-N 2.76Å; V63-G65 PolarHBondContact O-N 3.03Å; V63-Y66 WeakPolarHBondContact O-CB 3.42Å; V63-Y66 PolarHBondContact O-N 3.42Å; V63-L67 HydrophobicContact CG1-CD1 4.08Å; V63-L67 HydrophobicContact CG1-CG 4.17Å; V63-L67 PolarHBondContact O-N 3.24Å; V63-L67 VanDerWaalsContact O-N 3.17Å
64S92.8Very high86.1Confident25 Ų2592.1 Ų92.118%0.17548%0.476CS..Hα-helixtrans-58.6-34.7-176.468.10000112.4F60 D61 Y66 L67 F68F60-S64 WeakPolarHBondContact O-CA 3.37Å; F60-S64 WeakPolarHBondContact O-CB 3.16Å; F60-S64 PolarHBondContact O-N 3.25Å; F60-S64 PolarHBondContact O-OG 3.43Å; D61-S64 PolarHBondContact O-OG 3.49Å; S64-Y66 VanDerWaalsContact C-N 3.25Å; S64-Y66 PolarHBondContact O-N 3.25Å; S64-L67 PolarHBondContact O-N 2.99Å; S64-F68 VanDerWaalsContact O-CD2 3.23Å; S64-F68 WeakPolarHBondContact O-CD2 3.42Å; S64-F68 PolarHBondContact O-N 2.96Å
65G91.6Very high84.5Confident33 Ų3392.6 Ų92.634%0.3450%0.502SS..Hα-helixtrans-59.8-34.2173.600000112.8V63 K69V63-G65 PolarHBondContact O-N 3.03Å; G65-K69 WeakPolarHBondContact O-CB 3.23Å; G65-K69 WeakPolarHBondContact O-CD 3.3Å; G65-K69 WeakPolarHBondContact O-CE 3.5Å; G65-K69 WeakPolarHBondContact O-CG 3.28Å; G65-K69 PolarHBondContact O-N 3.07Å
66Y90Very high82.4Confident82 Ų8294.1 Ų94.132%0.32250%0.503SS..Hα-helixtrans-80.5-32176.7-62.4-86.3000112.7D62 V63 S64 P158 R173D62-Y66 WeakPolarHBondContact O-CD2 3.12Å; D62-Y66 WeakPolarHBondContact O-CE2 3.5Å; V63-Y66 WeakPolarHBondContact O-CB 3.42Å; V63-Y66 PolarHBondContact O-N 3.42Å; S64-Y66 VanDerWaalsContact C-N 3.25Å; S64-Y66 PolarHBondContact O-N 3.25Å; Y66-P158 HydrophobicContact CE1-CB 4.28Å; Y66-P158 HydrophobicContact CE1-CG 4.35Å; Y66-R173 PolarHBondContact O-NH2 3.21Å
67L90Very high80.2Confident32 Ų3293 Ų9317%0.16851%0.507CS..Hα-helixtrans-71.9-41.3178.6-66.9175000111.8V63 S64V63-L67 HydrophobicContact CG1-CD1 4.08Å; V63-L67 HydrophobicContact CG1-CG 4.17Å; V63-L67 PolarHBondContact O-N 3.24Å; V63-L67 VanDerWaalsContact O-N 3.17Å; S64-L67 PolarHBondContact O-N 2.99Å
68F87.9Confident78Confident62 Ų6294.8 Ų94.827%0.27251%0.514SS..Hα-helixtrans-110.810.3-169.9-53.2-61.8000114.7F60 S64 D70 M71 Y73F60-F68 HydrophobicContact CE2-CE2 4.5Å; F60-F68 HydrophobicContact CZ-CE2 4.01Å; S64-F68 VanDerWaalsContact O-CD2 3.23Å; S64-F68 WeakPolarHBondContact O-CD2 3.42Å; S64-F68 PolarHBondContact O-N 2.96Å; F68-D70 PolarHBondContact O-N 3.37Å; F68-M71 HydrophobicContact CB-CB 4.21Å; F68-M71 HydrophobicContact CD1-CB 4.31Å; F68-M71 HydrophobicContact CD1-CE 3.46Å; F68-M71 VanDerWaalsContact CD1-CE 3.46Å; F68-M71 HydrophobicContact CD1-SD 3.78Å; F68-M71 HydrophobicContact CE1-CE 3.78Å; F68-M71 HydrophobicContact CE1-SD 4.22Å; F68-M71 PolarHBondContact O-N 3.25Å; F68-Y73 HydrophobicContact CD1-CE2 4.49Å
69K81.6Confident75.7Confident115 Ų115101.4 Ų101.450%0.554%0.536SS..THydrogen-bonded Turntrans-51.8-30.7-179.4-114.7158.6-160.4-179.30113.9G65G65-K69 WeakPolarHBondContact O-CB 3.23Å; G65-K69 WeakPolarHBondContact O-CD 3.3Å; G65-K69 WeakPolarHBondContact O-CE 3.5Å; G65-K69 WeakPolarHBondContact O-CG 3.28Å; G65-K69 PolarHBondContact O-N 3.07Å
70D79.6Confident73.5Confident115 Ų115105.2 Ų105.262%0.61556%0.555SS**THydrogen-bonded Turntrans-103.8-6.6178.9-50.5-48.6000113.1F68 H72 R173F68-D70 PolarHBondContact O-N 3.37Å; D70-H72 PolarHBondContact O-N 3.01Å; D70-R173 IonicContact OD2-CZ 3.81Å; D70-R173 IonicContact OD2-NH1 3.03Å; D70-R173 PolarHBondContact OD2-NH1 2.87Å; D70-R173 IonicContact OD2-NH2 3.72Å
71M72.6Confident71.4Confident80 Ų80104.2 Ų104.239%0.39456%0.564SS.*  trans-90.684.8177.6-87.6-176.636.300109.8F68 Y73F68-M71 HydrophobicContact CB-CB 4.21Å; F68-M71 HydrophobicContact CD1-CB 4.31Å; F68-M71 HydrophobicContact CD1-CE 3.46Å; F68-M71 VanDerWaalsContact CD1-CE 3.46Å; F68-M71 HydrophobicContact CD1-SD 3.78Å; F68-M71 HydrophobicContact CE1-CE 3.78Å; F68-M71 HydrophobicContact CE1-SD 4.22Å; F68-M71 PolarHBondContact O-N 3.25Å; M71-Y73 HydrophobicContact CE-CE2 3.63Å; M71-Y73 WeakPolarHBondContact CE-OH 3.33Å; M71-Y73 PolarHBondContact O-N 2.88Å
72H63.8Low69.4Low174 Ų174104.5 Ų104.581%0.80657%0.569SS**  trans-6598.9166.6-67.9-70.9000109.7D70 S74D70-H72 PolarHBondContact O-N 3.01Å; H72-S74 PolarHBondContact O-N 3.22Å
73Y59.4Low67.1Low155 Ų155102.3 Ų102.361%0.60857%0.572SS**  trans-65.880.7163.5-80-87.9000108.8F68 M71 G75 M78F68-Y73 HydrophobicContact CD1-CE2 4.49Å; M71-Y73 HydrophobicContact CE-CE2 3.63Å; M71-Y73 WeakPolarHBondContact CE-OH 3.33Å; M71-Y73 PolarHBondContact O-N 2.88Å; Y73-G75 PolarHBondContact O-N 3.33Å; Y73-M78 HydrophobicContact CE1-CE 4.36Å
74S56.3Low65.2Low93 Ų93107.2 Ų107.265%0.6560%0.596SS**  trans-65.9117.3161.6-168.80000106.3H72 R76H72-S74 PolarHBondContact O-N 3.22Å; S74-R76 CarbonylContact O-C 3.59Å; S74-R76 PolarHBondContact O-N 2.98Å
75G60.2Low63.1Low90 Ų90113.5 Ų113.593%0.92863%0.628SS**SBendtrans-64.518.3-178.300000115.5Y73Y73-G75 PolarHBondContact O-N 3.33Å
76R52.3Low60.9Low220 Ų220117.8 Ų117.883%0.8365%0.651SS**SBendtrans-101126.8163-73.7179.5-165.3-116.2-2.2106.3S74S74-R76 CarbonylContact O-C 3.59Å; S74-R76 PolarHBondContact O-N 2.98Å
77G48.9Very low58.6Low70 Ų70119.7 Ų119.772%0.72268%0.676SS**  trans-32.4145-166.800000116.5E79G77-E79 VanDerWaalsContact C-N 3.28Å; G77-E79 PolarHBondContact O-N 3.24Å
78M49.5Very low56.1Low158 Ų158125.7 Ų125.778%0.77871%0.708SS**  trans-44.483.1-179.8-74.2-178.2170.700113.4Y73 L80Y73-M78 HydrophobicContact CE1-CE 4.36Å; M78-L80 PolarHBondContact O-N 2.76Å
79E47.3Very low54Low174 Ų174128.4 Ų128.481%0.81373%0.729SS**  trans-89.190.8151.1-74.4-171.3165.600105.2G77 S81G77-E79 VanDerWaalsContact C-N 3.28Å; G77-E79 PolarHBondContact O-N 3.24Å; E79-S81 PolarHBondContact O-N 3.02Å; E79-S81 PolarHBondContact O-OG 3.11Å
80L48.7Very low52.1Low144 Ų144133.9 Ų133.975%0.75475%0.747SS**  trans-60.988.3166.2-70.3172.5000107.2M78 V82M78-L80 PolarHBondContact O-N 2.76Å; L80-V82 PolarHBondContact O-N 3.19Å
81S48.6Very low50.4Low107 Ų107134.9 Ų134.975%0.74876%0.757SS**  trans-71.689168.1-54.50000106E79 G83E79-S81 PolarHBondContact O-N 3.02Å; E79-S81 PolarHBondContact O-OG 3.11Å; S81-G83 PolarHBondContact O-N 3.31Å
82V51.2Low48.9Very low104 Ų104134.4 Ų134.463%0.6377%0.772SS**  trans-67.686.6167.4-175.20000106.3L80 L84L80-V82 PolarHBondContact O-N 3.19Å; V82-L84 VanDerWaalsContact C-N 3.34Å; V82-L84 HydrophobicContact CG1-CD2 4.49Å; V82-L84 HydrophobicContact CG1-CG 4.19Å; V82-L84 PolarHBondContact O-N 3.49Å
83G45.8Very low47.9Very low63 Ų63131.8 Ų131.865%0.64977%0.774SS**  trans-66.395.8167.900000108.2S81 D85S81-G83 PolarHBondContact O-N 3.31Å; G83-D85 PolarHBondContact O-N 3.17Å
84L51.6Low47.2Very low156 Ų156136 Ų13682%0.81779%0.789SS**  trans-70.434.6174.4-83.3167.3000113V82 C86V82-L84 VanDerWaalsContact C-N 3.34Å; V82-L84 HydrophobicContact CG1-CD2 4.49Å; V82-L84 HydrophobicContact CG1-CG 4.19Å; V82-L84 PolarHBondContact O-N 3.49Å; L84-C86 PolarHBondContact O-N 2.9Å
85D47.3Very low46.6Very low157 Ų157137.3 Ų137.384%0.8480%0.798SS**  trans-104.351.2179.6-68.6-22.9000111.1G83G83-D85 PolarHBondContact O-N 3.17Å
86C46.8Very low45.9Very low123 Ų123144 Ų14483%0.83180%0.795SS**  trans-115.873.5161.2-85.30000108.6L84 L88L84-C86 PolarHBondContact O-N 2.9Å; C86-L88 PolarHBondContact O-N 3.09Å
87S41Very low45.7Very low121 Ų121141.7 Ų141.785%0.84680%0.798SS**  trans-64.594.8169.157.40000110.1
88L38.3Very low45.5Very low158 Ų158145 Ų14583%0.82780%0.799SS**  trans-61.2153.5150.7-164.579.8000108.5C86C86-L88 PolarHBondContact O-N 3.09Å
89V43.7Very low45.8Very low120 Ų120143.6 Ų143.673%0.72780%0.799SS**  trans9099.6174-166.70000114.2
90R41.3Very low45.6Very low230 Ų230142.9 Ų142.987%0.86880%0.795SS**  -178.4126.484-141.5158.3167.4-176.9-5111.3
91T43.1Very low46Very low136 Ų136143.8 Ų143.883%0.83480%0.801SS**  trans-62.2142.2166.142.50000111.4
92G42.4Very low46Very low69 Ų69146.7 Ų146.771%0.71181%0.809SS**  trans50.7111.5146.700000119.2
93S42.9Very low46Very low119 Ų119145.5 Ų145.583%0.83282%0.817SS**  166.8117.7110.6-74.20000112
94R44Very low46Very low245 Ų245148.8 Ų148.893%0.92583%0.825SS**  trans31.7122.7134.4-74-178.4160.2-172.4-4.5119.5
95S44.2Very low46.1Very low120 Ų120149.9 Ų149.984%0.83983%0.828SS**  125.9132.4114.3-161.10000114.8
96R44Very low46.1Very low230 Ų230146.4 Ų146.487%0.86882%0.821SS**  trans-64.3146.6-178.6-59.8168.8169.5-178.8-4.5111.2
97L49.3Very low46.8Very low171 Ų171147.7 Ų147.790%0.89583%0.825SS**  -173138.4121.3-98.6160.3000111.7
98N44.9Very low47.1Very low139 Ų139152.2 Ų152.274%0.74383%0.829SS**  trans-97.1122.4-176.5-166.618.9000107.5
99V56.1Low47.8Very low130 Ų130148.4 Ų148.479%0.78883%0.829SS**  trans-145.5114.7167.7178.90000109.6
100H43.3Very low48.3Very low158 Ų158151 Ų15173%0.73183%0.833SS**  trans-65.5150.3164.3-72.6-24.1000111.7
101N56.7Low48.6Very low164 Ų164145.8 Ų145.888%0.87783%0.827SS**  -170.9136.2130-93-23.7000112.8
102N47.8Very low49.2Very low168 Ų168144.4 Ų144.490%0.89882%0.822SS**  trans-73.4152.1173.1-67.5-31.9000111.6
103G52.1Low49.6Very low79 Ų79152 Ų15281%0.81483%0.83SS**  trans-168.888.2173.500000113.6
104T45.8Very low49.8Very low131 Ų131156.7 Ų156.780%0.80483%0.829SS**  trans-68.5140.5169.7-49.30000111.4
105M52.7Low49.9Very low180 Ų180150.7 Ų150.789%0.88782%0.82SS**  166.8144.7125.8-87.3-71.3-134.300113.6
106A47.5Very low50.2Low84 Ų84153.9 Ų153.969%0.69482%0.819SS**  trans-57.6156.9-174.900000117.6
107T60.7Low51Low150 Ų150149.7 Ų149.792%0.9281%0.814SS**  -157141.1126.642.30000112.5
108K48.8Very low51.1Low215 Ų215148.3 Ų148.394%0.93581%0.807SS**  trans-69.2151-178.1-73.7166.5170170.80113.8
109G53.5Low51.1Low79 Ų79148.9 Ų148.981%0.81481%0.809SS**  trans-146.2138.6165.600000111.8
110H52.2Low50.8Low175 Ų175149.1 Ų149.181%0.8182%0.815SS**  trans-85.5142.2-154.5-104.3-91.6000117.9
111T48.6Very low50.8Low120 Ų120150 Ų15074%0.73682%0.819SS**  trans35.3129.113461.10000123.6
112S54.9Low50.4Low107 Ų107153.6 Ų153.675%0.74882%0.821SS**  -170.3111.4128.7-152.90000110.8
113R51.8Low50.2Low229 Ų229150.3 Ų150.386%0.86481%0.81SS**  46.2135.5110-70.5-172.7-176.8-172.82.9114.1
114R46.6Very low49.7Very low216 Ų216151.7 Ų151.782%0.81581%0.808SS**  cis-178.2145.220.8-155176.1-177170.8-2.5102.4
115T47Very low50Low120 Ų120152.6 Ų152.674%0.73681%0.813SS**  169.713673-38.50000106.8
116K49.4Very low49.5Very low187 Ų187148.9 Ų148.981%0.81381%0.811SS**  trans-97155169.4-75175.4172.4175.80109.3
117N62Low49.7Very low142 Ų142151 Ų15176%0.75982%0.821SS**  trans-171.3107146.5-78.3-24.6000107.2
118N49.8Very low48.7Very low141 Ų141148.2 Ų148.275%0.75481%0.812SS**  65.9106.293.8-63.8-17.9000113.3
119L46.2Very low48.8Very low151 Ų151144 Ų14479%0.79181%0.81SS**  85.8109.682.7-169.377.1000112.5
120C49.5Very low48.7Very low136 Ų136145.1 Ų145.192%0.91981%0.806SS**  trans-162.4120149.6-105.30000112
121H43.6Very low48.3Very low176 Ų176140.9 Ų140.982%0.81580%0.801SS**  trans-93.1144.2166.1-86.1-78.2000110.1
122R47.2Very low48.5Very low240 Ų240146.3 Ų146.391%0.90681%0.808SS**  trans-177.8103.3146-106.8179.1170.3-158-3.4108.8
123S44.2Very low47.9Very low98 Ų98152 Ų15269%0.68581%0.813SS**  73.3101.590.183.30000115.6
124S41.3Very low48.1Very low108 Ų108149 Ų14976%0.75581%0.813SS**  trans35124.4130.261.10000120.7
125V52.5Low47.9Very low151 Ų151147.4 Ų147.492%0.91581%0.814SS**  trans-154132.4131-101.70000109.8
126A42.1Very low47.9Very low101 Ų101148 Ų14884%0.83582%0.818SS**  trans-80.2153.7178.700000111.5
127S52Low47.7Very low130 Ų130144.3 Ų144.391%0.90982%0.816SS**  trans-147120.3153.8-141.10000109.7
128A40.1Very low46.9Very low90 Ų90142.8 Ų142.874%0.74482%0.816SS**  trans-117.3137.2178.800000108.9
129S50.9Low46.6Very low126 Ų126140 Ų14088%0.88181%0.812SS**  trans179.2146.7163.4-75.20000105.9
130S51.2Low46.5Very low104 Ų104142.2 Ų142.273%0.72782%0.816SS**  cis-178.1107.1-7.2163.80000104.3
131A44.3Very low46.2Very low86 Ų86144.7 Ų144.771%0.71181%0.814SS**  49.5117.9114.700000117.6
132R51.8Low46.7Very low233 Ų233145.1 Ų145.188%0.87981%0.814SS**  176.4118.7119.1-93.2165.8-168.9-154.74113.7
133R43Very low46.4Very low227 Ų227140.6 Ų140.686%0.85781%0.807SS**  trans42.8129.9132.5-59.9-178.5-177.5-157.9-1.4118.2
134L54.4Low46.6Very low167 Ų167143.3 Ų143.387%0.87481%0.813SS**  -159.6145.664.8-80.2164.4000112.6
135H42.9Very low46.8Very low181 Ų181147 Ų14784%0.83882%0.818SS**  trans-86.9143.5171.1-74.1-107.2000111.5
136V47.4Very low46.5Very low133 Ų133144 Ų14481%0.80680%0.8SS**  trans-162.3105.4137.51800000106.5
137S45.1Very low46.6Very low110 Ų110143.9 Ų143.977%0.76980%0.799SS**  55.4132.4106.6-41.60000114.2
138S45.7Very low46.2Very low110 Ų110146.1 Ų146.177%0.76979%0.793SS**  cis-169.114826.459.70000112.3
139A43.2Very low46.3Very low81 Ų81145.2 Ų145.267%0.66979%0.793SS**  trans50.8110.913600000120.6
140F44.6Very low46.2Very low199 Ų199143.9 Ų143.987%0.87378%0.779SS**  -172.4107109.2-106.6-80.7000108
141E42.5Very low46Very low188 Ų188146.9 Ų146.988%0.87979%0.787SS**  trans-115117.6176.4-165175.2-14500106.2
142K53.8Low46.5Very low185 Ų185147.1 Ų147.180%0.80478%0.784SS**  trans-144.4119.3163.9-76.8-168.7179.7174.10109.3
143D42.1Very low47.2Very low144 Ų144141.8 Ų141.877%0.7778%0.779SS**  trans-47.8131.3172-61.5-60.7000113.3
144L48.4Very low48.2Very low155 Ų155136.5 Ų136.581%0.81278%0.777SS**  trans-137.291.7153.8-93.2166.9000108.4V146L144-V146 HydrophobicContact CB-CG2 4.46Å; L144-V146 HydrophobicContact CD2-CG2 4.08Å; L144-V146 PolarHBondContact O-N 3.37Å
145H44.2Very low49.1Very low185 Ų185137 Ų13786%0.85678%0.775SS**  trans-68.4109.2152.8-87.7-88.4000107.8
146V46.4Very low50.8Low89 Ų89134 Ų13454%0.53977%0.771SS.*  trans-116.2107166.6178.90000108.1L144 F148L144-V146 HydrophobicContact CB-CG2 4.46Å; L144-V146 HydrophobicContact CD2-CG2 4.08Å; L144-V146 PolarHBondContact O-N 3.37Å; V146-F148 HydrophobicContact CB-CE2 4.43Å; V146-F148 HydrophobicContact CG1-CD2 3.95Å; V146-F148 HydrophobicContact CG1-CE2 3.8Å; V146-F148 HydrophobicContact CG1-CZ 4.41Å; V146-F148 PolarHBondContact O-N 2.98Å
147A44.6Very low52.3Low99 Ų99135.5 Ų135.582%0.81877%0.774SS**  trans-68.5109.3164.800000108.4G149A147-G149 VanDerWaalsContact C-N 3.33Å; A147-G149 PolarHBondContact O-N 3.49Å; A147-G149 VanDerWaalsContact O-N 3.11Å
148F43.8Very low54Low176 Ų176133.1 Ų133.177%0.77276%0.756SS**  trans-80.385.8167.7-87.3-88.6000109.2V146 T150V146-F148 HydrophobicContact CB-CE2 4.43Å; V146-F148 HydrophobicContact CG1-CD2 3.95Å; V146-F148 HydrophobicContact CG1-CE2 3.8Å; V146-F148 HydrophobicContact CG1-CZ 4.41Å; V146-F148 PolarHBondContact O-N 2.98Å; F148-T150 HydrophobicContact CD1-CG2 3.98Å
149G42.3Very low55.8Low72 Ų72132.8 Ų132.874%0.74275%0.751SS**  trans-100.490156.300000108.1A147A147-G149 VanDerWaalsContact C-N 3.33Å; A147-G149 PolarHBondContact O-N 3.49Å; A147-G149 VanDerWaalsContact O-N 3.11Å
150T48.5Very low57.8Low98 Ų98135.1 Ų135.160%0.60176%0.759SS**  trans-99.994.4173.852.30000109F148 S152F148-T150 HydrophobicContact CD1-CG2 3.98Å; T150-S152 PolarHBondContact O-N 3.32Å; T150-S152 VanDerWaalsContact O-N 3.08Å
151N47.5Very low59.9Low167 Ų167129.3 Ų129.389%0.89374%0.737SS**  trans-69.785.4149.2-74-46.7000106.4
152S54.9Low62.1Low91 Ų91124.4 Ų124.464%0.63672%0.721SS**  trans-70.3126.1173.4-650000108.5T150 S154T150-S152 PolarHBondContact O-N 3.32Å; T150-S152 VanDerWaalsContact O-N 3.08Å; S152-S154 PolarHBondContact O-N 3.48Å
153P65Low63.6Low120 Ų120121.9 Ų121.978%0.77972%0.716SS**  trans-58132169.224.5-30.8000108.1E155P153-E155 PolarHBondContact O-N 3.08Å
154S65.7Low65.8Low117 Ų117122.9 Ų122.982%0.81872%0.716SS**  trans-44.6110.5-178.848.50000111.1S152S152-S154 PolarHBondContact O-N 3.48Å
155E73.2Confident67.6Low178 Ų178118.7 Ų118.783%0.83270%0.697SS**PPolyproline II helixtrans-57.8132.5173.8-160.8175.2-174.600108.5P153 L157P153-E155 PolarHBondContact O-N 3.08Å; E155-L157 PolarHBondContact O-N 3.43Å
156P78.2Confident69.5Low117 Ų117111.8 Ų111.876%0.7667%0.672SS**PPolyproline II helixtrans-58.9126.1179.922.2-30.8000109.4
157L78.2Confident71.5Confident164 Ų164111.9 Ų111.986%0.85967%0.67SS**PPolyproline II helixtrans-55131.1176.9-76.5163.1000109.1E155E155-L157 PolarHBondContact O-N 3.43Å
158P81.2Confident73.5Confident61 Ų61111.6 Ų111.640%0.39665%0.654SS.*PPolyproline II helixtrans-59.3149.4175.124.7-32.4000109.9Y66Y66-P158 HydrophobicContact CE1-CB 4.28Å; Y66-P158 HydrophobicContact CE1-CG 4.35Å
159P83.9Confident75.4Confident103 Ų103104.6 Ų104.667%0.66962%0.624SS**PPolyproline II helixtrans-56145.6177.224.3-33.4000110.4L161P159-L161 PolarHBondContact O-N 3.01Å
160P85.8Confident77.5Confident129 Ų129107.9 Ų107.984%0.83862%0.618SS**PPolyproline II helixtrans-58.2128.1178.523.5-31.8000109.8
161L88Confident79.4Confident77 Ų77108.7 Ų108.740%0.40362%0.615SS.*PPolyproline II helixtrans-68.5146.6174.4-65.1175000109.7P159 V165 I169P159-L161 PolarHBondContact O-N 3.01Å; L161-V165 HydrophobicContact CD1-CG1 4.39Å; L161-I169 HydrophobicContact CD1-CD1 3.66Å
162P88.6Confident81.1Confident85 Ų85104.1 Ų104.155%0.55259%0.589SS**PPolyproline II helixtrans-52.1141.9168.6-24.734000111.2E164 V165 A166P162-E164 PolarHBondContact O-N 3.48Å; P162-E164 VanDerWaalsContact O-N 3.14Å; P162-V165 HydrophobicContact CB-CG2 4.31Å; P162-V165 HydrophobicContact CG-CG2 4.45Å; P162-V165 PolarHBondContact O-N 3.4Å; P162-A166 PolarHBondContact O-N 3.18Å
163L85.9Confident82.4Confident132 Ų132104.5 Ų104.569%0.69158%0.576SS**Hα-helixtrans-55.3-35.4-173.8-176.762.8000112.9A166 N167L163-A166 PolarHBondContact O-N 2.99Å; L163-N167 WeakPolarHBondContact O-CB 3.35Å; L163-N167 VanDerWaalsContact O-CG 3.3Å; L163-N167 PolarHBondContact O-N 3.46Å; L163-N167 PolarHBondContact O-ND2 3.39Å
164E87.6Confident83.2Confident166 Ų166104.9 Ų104.978%0.77657%0.568SS**Hα-helixtrans-63.1-44.7176.9-64178178.600112.2P162 A166 N167 L168P162-E164 PolarHBondContact O-N 3.48Å; P162-E164 VanDerWaalsContact O-N 3.14Å; E164-A166 VanDerWaalsContact C-N 3.35Å; E164-N167 PolarHBondContact O-N 3.38Å; E164-L168 PolarHBondContact O-N 2.98Å
165V86.1Confident83.7Confident66 Ų66105 Ų10540%0.456%0.557SS.*Hα-helixtrans-67.4-39.4177.8-178.40000110.3L161 P162 L168 I169L161-V165 HydrophobicContact CD1-CG1 4.39Å; P162-V165 HydrophobicContact CB-CG2 4.31Å; P162-V165 HydrophobicContact CG-CG2 4.45Å; P162-V165 PolarHBondContact O-N 3.4Å; V165-L168 PolarHBondContact O-N 2.88Å; V165-I169 HydrophobicContact CG1-CD1 3.92Å; V165-I169 HydrophobicContact CG1-CG1 4.45Å; V165-I169 VanDerWaalsContact O-CG1 3.27Å; V165-I169 WeakPolarHBondContact O-CG1 3.35Å; V165-I169 PolarHBondContact O-N 3.49Å
166A84.4Confident84Confident41 Ų41101.9 Ų101.934%0.33955%0.545SS..Hα-helixtrans-63.5-40.9176.300000112.2P162 L163 E164 I169 K170P162-A166 PolarHBondContact O-N 3.18Å; L163-A166 PolarHBondContact O-N 2.99Å; E164-A166 VanDerWaalsContact C-N 3.35Å; A166-I169 PolarHBondContact O-N 3.21Å; A166-K170 WeakPolarHBondContact O-CB 3.39Å; A166-K170 PolarHBondContact O-N 3.43Å
167N87.9Confident83.7Confident91 Ų9199.8 Ų99.849%0.48754%0.537SS..Hα-helixtrans-65.9-42.8176.2-74.1-19.6000111.9L163 E164 K170 E171L163-N167 WeakPolarHBondContact O-CB 3.35Å; L163-N167 VanDerWaalsContact O-CG 3.3Å; L163-N167 PolarHBondContact O-N 3.46Å; L163-N167 PolarHBondContact O-ND2 3.39Å; E164-N167 PolarHBondContact O-N 3.38Å; N167-K170 WeakPolarHBondContact O-CB 3.49Å; N167-K170 PolarHBondContact O-N 3.43Å; N167-E171 PolarHBondContact O-N 3.42Å
168L86.9Confident83.1Confident93 Ų9395.3 Ų95.349%0.48752%0.52SS..Hα-helixtrans-63-44.1175.9-178.564.1000112E164 V165 K170 E171 M172E164-L168 PolarHBondContact O-N 2.98Å; V165-L168 PolarHBondContact O-N 2.88Å; L168-K170 PolarHBondContact O-N 3Å; L168-E171 PolarHBondContact O-N 3.15Å; L168-M172 HydrophobicContact CD1-CG 4.47Å; L168-M172 HydrophobicContact CG-SD 4.41Å; L168-M172 WeakPolarHBondContact O-CG 3.45Å; L168-M172 PolarHBondContact O-N 3.39Å
169I83.7Confident81.6Confident29 Ų2996.7 Ų96.715%0.14953%0.529CS..Hα-helixtrans-60-39.4175.6-70.3167.8000110.5L161 V165 A166 R173L161-I169 HydrophobicContact CD1-CD1 3.66Å; V165-I169 HydrophobicContact CG1-CD1 3.92Å; V165-I169 HydrophobicContact CG1-CG1 4.45Å; V165-I169 VanDerWaalsContact O-CG1 3.27Å; V165-I169 WeakPolarHBondContact O-CG1 3.35Å; V165-I169 PolarHBondContact O-N 3.49Å; A166-I169 PolarHBondContact O-N 3.21Å; I169-R173 HydrophobicContact CG2-CG 4.47Å; I169-R173 WeakPolarHBondContact O-CB 3.49Å; I169-R173 VanDerWaalsContact O-CG 3.26Å; I169-R173 WeakPolarHBondContact O-CG 3.34Å; I169-R173 PolarHBondContact O-N 2.9Å
170K87.4Confident80Confident141 Ų14198.9 Ų98.961%0.61353%0.534SS*.Hα-helixtrans-64-46.7176.7-174.3-173.7174.3-166.30111.7A166 N167 L168 R173 E174A166-K170 WeakPolarHBondContact O-CB 3.39Å; A166-K170 PolarHBondContact O-N 3.43Å; N167-K170 WeakPolarHBondContact O-CB 3.49Å; N167-K170 PolarHBondContact O-N 3.43Å; L168-K170 PolarHBondContact O-N 3Å; K170-R173 PolarHBondContact O-N 3.24Å; K170-E174 PolarHBondContact O-N 2.96Å
171E87.4Confident78.3Confident114 Ų11499 Ų9953%0.53353%0.533SS..Hα-helixtrans-62.9-43.6178.1-168.5-177166.200111.8N167 L168 R173 E174 M175N167-E171 PolarHBondContact O-N 3.42Å; L168-E171 PolarHBondContact O-N 3.15Å; E171-R173 VanDerWaalsContact C-N 3.35Å; E171-R173 PolarHBondContact O-N 2.95Å; E171-E174 PolarHBondContact O-N 3.32Å; E171-M175 HydrophobicContact CG-CE 4.33Å; E171-M175 PolarHBondContact O-N 3.01Å
172M82.9Confident76.5Confident71 Ų7198.9 Ų98.935%0.3555%0.55SS.*Hα-helixtrans-61.7-41.2174.4-71.3-175.57200112.3L168 E174 M175 I176L168-M172 HydrophobicContact CD1-CG 4.47Å; L168-M172 HydrophobicContact CG-SD 4.41Å; L168-M172 WeakPolarHBondContact O-CG 3.45Å; L168-M172 PolarHBondContact O-N 3.39Å; M172-E174 VanDerWaalsContact C-N 3.31Å; M172-E174 PolarHBondContact O-N 3.07Å; M172-M175 HydrophobicContact CG-CE 4.25Å; M172-M175 PolarHBondContact O-N 2.96Å; M172-I176 WeakPolarHBondContact O-CD1 3.32Å; M172-I176 VanDerWaalsContact O-CG1 3.23Å; M172-I176 WeakPolarHBondContact O-CG1 3.46Å; M172-I176 PolarHBondContact O-N 3.24Å
173R82.4Confident74.4Confident99 Ų99101.2 Ų101.237%0.37456%0.557SS.*Hα-helixtrans-62.6-37.9175.3-76.5175.6177.8-1451111.5Y66 D70 I169 K170 E171 I176 A177Y66-R173 PolarHBondContact O-NH2 3.21Å; D70-R173 IonicContact OD2-CZ 3.81Å; D70-R173 IonicContact OD2-NH1 3.03Å; D70-R173 PolarHBondContact OD2-NH1 2.87Å; D70-R173 IonicContact OD2-NH2 3.72Å; I169-R173 HydrophobicContact CG2-CG 4.47Å; I169-R173 WeakPolarHBondContact O-CB 3.49Å; I169-R173 VanDerWaalsContact O-CG 3.26Å; I169-R173 WeakPolarHBondContact O-CG 3.34Å; I169-R173 PolarHBondContact O-N 2.9Å; K170-R173 PolarHBondContact O-N 3.24Å; E171-R173 VanDerWaalsContact C-N 3.35Å; E171-R173 PolarHBondContact O-N 2.95Å; R173-I176 PolarHBondContact O-N 3.34Å; R173-A177 VanDerWaalsContact O-CB 3.23Å; R173-A177 WeakPolarHBondContact O-CB 3.41Å; R173-A177 PolarHBondContact O-N 3.44Å
174E81.8Confident72.3Confident129 Ų12999.9 Ų99.960%0.60356%0.558SS**Hα-helixtrans-69.6-39.8178-170.9167-175.800112.5K170 E171 M172 A177 S178K170-E174 PolarHBondContact O-N 2.96Å; E171-E174 PolarHBondContact O-N 3.32Å; M172-E174 VanDerWaalsContact C-N 3.31Å; M172-E174 PolarHBondContact O-N 3.07Å; E174-A177 PolarHBondContact O-N 3.31Å; E174-S178 PolarHBondContact O-N 3.2Å; E174-S178 PolarHBondContact O-OG 3.27Å
175M76.6Confident70.4Confident119 Ų11997.3 Ų97.359%0.58655%0.554SS**Hα-helixtrans-64.4-40173.3-73.4-170.4-73.200112.5E171 M172E171-M175 HydrophobicContact CG-CE 4.33Å; E171-M175 PolarHBondContact O-N 3.01Å; M172-M175 HydrophobicContact CG-CE 4.25Å; M172-M175 PolarHBondContact O-N 2.96Å
176I78.7Confident68.5Low112 Ų112100 Ų10057%0.57457%0.572SS**Hα-helixtrans-74-35.7179.3-64.3163.8000111.6M172 R173 S178M172-I176 WeakPolarHBondContact O-CD1 3.32Å; M172-I176 VanDerWaalsContact O-CG1 3.23Å; M172-I176 WeakPolarHBondContact O-CG1 3.46Å; M172-I176 PolarHBondContact O-N 3.24Å; R173-I176 PolarHBondContact O-N 3.34Å; I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 3.35Å
177A72.4Confident67Low73 Ų73108.9 Ų108.960%0.60360%0.597SS**Hα-helixtrans-72.6-19.6-179.600000113.4R173 E174 P179R173-A177 VanDerWaalsContact O-CB 3.23Å; R173-A177 WeakPolarHBondContact O-CB 3.41Å; R173-A177 PolarHBondContact O-N 3.44Å; E174-A177 PolarHBondContact O-N 3.31Å; A177-P179 VanDerWaalsContact O-CD 3.28Å; A177-P179 WeakPolarHBondContact O-CD 3.28Å
178S65.1Low65.3Low71 Ų71113.5 Ų113.550%0.49762%0.616SS.*SBendtrans-68.9114.5176.2-670000109.8E174 I176 L180E174-S178 PolarHBondContact O-N 3.2Å; E174-S178 PolarHBondContact O-OG 3.27Å; I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 3.35Å; S178-L180 PolarHBondContact O-N 2.77Å
179P50.4Low63.5Low89 Ų89115.9 Ų115.958%0.57863%0.629SS**  trans-59.9129.4179.9-19.231.1000109.3A177 T181A177-P179 VanDerWaalsContact O-CD 3.28Å; A177-P179 WeakPolarHBondContact O-CD 3.28Å; P179-T181 HydrophobicContact CB-CG2 3.62Å; P179-T181 PolarHBondContact O-N 2.68Å; P179-T181 PolarHBondContact O-OG1 3.3Å
180L50.7Low61.9Low149 Ų149125.1 Ų125.178%0.7866%0.662SS**  trans-69.460.5160.3-66.5173.2000109S178 G182 I183S178-L180 PolarHBondContact O-N 2.77Å; L180-G182 PolarHBondContact O-N 3.43Å; L180-I183 HydrophobicContact CB-CD1 4.33Å; L180-I183 HydrophobicContact CD1-CD1 4.32Å
181T50.2Low60.3Low132 Ų132125.2 Ų125.281%0.8167%0.674SS**THydrogen-bonded Turntrans-694-17926.60000113.7P179P179-T181 HydrophobicContact CB-CG2 3.62Å; P179-T181 PolarHBondContact O-N 2.68Å; P179-T181 PolarHBondContact O-OG1 3.3Å
182G49.7Very low58.7Low75 Ų75127.2 Ų127.277%0.77368%0.682SS**THydrogen-bonded Turntrans-92.8-14.2178.600000115.7L180 S184L180-G182 PolarHBondContact O-N 3.43Å; G182-S184 PolarHBondContact O-N 3.32Å
183I44.6Very low57.2Low134 Ų134131.9 Ų131.969%0.68771%0.708SS**  trans-94.683.6-175.7-35.3177.1000109.2L180 T185L180-I183 HydrophobicContact CB-CD1 4.33Å; L180-I183 HydrophobicContact CD1-CD1 4.32Å; I183-T185 PolarHBondContact O-N 3.36Å; I183-T185 VanDerWaalsContact O-N 3.14Å
184S40.9Very low55.9Low103 Ų103135.3 Ų135.372%0.7272%0.722SS**PPolyproline II helixtrans-54.1118.9169.2173.90000109.3G182G182-S184 PolarHBondContact O-N 3.32Å
185T47.8Very low54.8Low112 Ų112134.9 Ų134.969%0.68772%0.724SS**PPolyproline II helixtrans-47.9131164.150.30000109.5I183 R187I183-T185 PolarHBondContact O-N 3.36Å; I183-T185 VanDerWaalsContact O-N 3.14Å; T185-R187 PolarHBondContact O-N 2.73Å; T185-R187 VanDerWaalsContact O-N 3.1Å
186P47.4Very low53.7Low122 Ų122133 Ų13379%0.79273%0.728SS**PPolyproline II helixtrans-63.9116.9173.724.3-29.8000108.5Q188P186-Q188 PolarHBondContact O-N 3.22Å
187R51.2Low52.4Low229 Ų229136.4 Ų136.486%0.86474%0.738SS**PPolyproline II helixtrans-60.4124.8168.4-77.7-177.2163.7175.8-4.1107.9T185 D189T185-R187 PolarHBondContact O-N 2.73Å; T185-R187 VanDerWaalsContact O-N 3.1Å; R187-D189 PolarHBondContact O-N 3.08Å
188Q54.1Low51.3Low187 Ų187142.8 Ų142.887%0.87475%0.747SS**SBendtrans-66.112.5-175.2-83.2-177.5-19.500116P186P186-Q188 PolarHBondContact O-N 3.22Å
189D47.5Very low50.4Low143 Ų143144.2 Ų144.277%0.76575%0.748SS**  trans-115.774.8-178.7-70.3-29.9000110.7R187R187-D189 PolarHBondContact O-N 3.08Å
190R51.5Low50.3Low223 Ų223147.2 Ų147.284%0.84276%0.758SS**  trans-178115.6154.1-95.6145.3-159.8-135.28110.1F192R190-F192 PolarHBondContact O-N 3.1Å
191V52.2Low50Low144 Ų144147.3 Ų147.387%0.87376%0.76SS**  trans-63.6114.3165.2178.30000107.6
192F55Low49.6Very low156 Ų156148.1 Ų148.168%0.68476%0.759SS**  trans-89.4113.4166.8-86.9-89.5000108.1R190 Y194R190-F192 PolarHBondContact O-N 3.1Å; F192-Y194 HydrophobicContact CB-CD2 3.87Å; F192-Y194 HydrophobicContact CB-CE2 3.76Å; F192-Y194 HydrophobicContact CG-CE2 4.35Å; F192-Y194 PolarHBondContact O-N 3.31Å; F192-Y194 VanDerWaalsContact O-N 3.13Å
193D51.6Low49Very low168 Ų168151.3 Ų151.390%0.89875%0.754SS**  trans-66.7103164.2-115.5-23.8000107.7
194Y54.6Low48.4Very low172 Ų172152.9 Ų152.968%0.67576%0.756SS**  trans-92.4104.5170.8-90.3-83.8000109.1F192 A196 L199F192-Y194 HydrophobicContact CB-CD2 3.87Å; F192-Y194 HydrophobicContact CB-CE2 3.76Å; F192-Y194 HydrophobicContact CG-CE2 4.35Å; F192-Y194 PolarHBondContact O-N 3.31Å; F192-Y194 VanDerWaalsContact O-N 3.13Å; Y194-A196 PolarHBondContact O-N 3.11Å; Y194-A196 VanDerWaalsContact O-N 3.13Å; Y194-L199 HydrophobicContact CD1-CD1 4Å; Y194-L199 HydrophobicContact CE1-CD1 4.34Å
195D59.5Low48.1Very low119 Ų119155.6 Ų155.664%0.63676%0.762SS**  trans-68.8104.8171.3-158.9-7.8000109.3K197 R198D195-K197 PolarHBondContact O-N 3.14Å; D195-R198 PolarHBondContact O-N 3.42Å
196A52.9Low47.4Very low81 Ų81160.5 Ų160.567%0.66977%0.774SS**THydrogen-bonded Turntrans-62.1-5.8-171.100000114.7Y194Y194-A196 PolarHBondContact O-N 3.11Å; Y194-A196 VanDerWaalsContact O-N 3.13Å
197K51.3Low46.9Very low183 Ų183163.6 Ų163.680%0.79677%0.771SS**THydrogen-bonded Turntrans-91.8-8.8-179.2-67.5-174.8177.3-177.10114.8D195D195-K197 PolarHBondContact O-N 3.14Å
198R49.1Very low46.3Very low207 Ų207159.4 Ų159.478%0.78177%0.766SS**SBendtrans-99.2-9.2-179.1-95.5-175.3165.8-165.9-4.1116D195D195-R198 PolarHBondContact O-N 3.42Å
199L45.7Very low45.5Very low101 Ų101159.8 Ų159.853%0.52977%0.765SS.*SBendtrans-94.7-8.1-178.1-74.9169.9000114.7Y194 N201Y194-L199 HydrophobicContact CD1-CD1 4Å; Y194-L199 HydrophobicContact CE1-CD1 4.34Å; L199-N201 VanDerWaalsContact C-N 3.33Å
200L48.4Very low45.3Very low151 Ų151161.6 Ų161.679%0.79177%0.769SS**THydrogen-bonded Turntrans-80.7-7.4174.8-82.9161.9000114.3
201N44.2Very low44.8Very low152 Ų152158.3 Ų158.381%0.81377%0.767SS**THydrogen-bonded Turntrans-107.80.1178.3-104.6-17.5000114.6L199L199-N201 VanDerWaalsContact C-N 3.33Å
202N42Very low44.1Very low148 Ų148159.2 Ų159.279%0.79177%0.766SS**SBendtrans-127.615-179-78.8-21.4000113.6
203Q37.3Very low43.4Very low142 Ų142159.4 Ų159.466%0.66477%0.774SS**  trans-102.4143.7162.4-84.4-173.70.900108.7
204F32.6Very low42.6Very low167 Ų167159.8 Ų159.873%0.73278%0.775SS**  trans82.995.5-175.3-64.4-91.1000114.5
205L33.6Very low42Very low160 Ų160161.2 Ų161.284%0.83879%0.785SS**  -179.867.1127.5-88.6174.4000109.3
206F33.4Very low40.7Very low215 Ų215161.8 Ų161.894%0.94380%0.797SS**  trans-129.568150.3-89.9-81.3000106.3
207Y37.6Very low40.4Very low187 Ų187163.5 Ų163.573%0.73380%0.804SS**  trans-125.4106.2159-87.7-76.4000105.2K209Y207-K209 PolarHBondContact O-N 3.21Å
208D38Very low39.7Very low142 Ų142158.1 Ų158.176%0.75980%0.801SS**  trans-59.5101.1169.9-148.3-14.7000107.6E210D208-E210 VanDerWaalsContact C-N 3.33Å
209K38.6Very low39.2Very low194 Ų194153.5 Ų153.584%0.84380%0.8SS**  trans-94.711.3-169.6-150.2178.3-178.5179.90111.9Y207Y207-K209 PolarHBondContact O-N 3.21Å
210E42.2Very low38.9Very low182 Ų182157 Ų15785%0.8581%0.814SS**SBendtrans-99.7-4.1-176.3-65.8-134.1143.100115.2D208D208-E210 VanDerWaalsContact C-N 3.33Å
211L41.8Very low38.6Very low153 Ų153160.6 Ų160.680%0.80182%0.818SS**SBendtrans-101.419.2-174.7-116.9139.1000116
212L37.8Very low38.5Very low164 Ų164158.7 Ų158.786%0.85982%0.817SS**SBendtrans-119.420.4-174.6-105.8156000115.6
213N39.2Very low38.4Very low160 Ų160157 Ų15786%0.85681%0.814SS**  trans-127.157.8172.9-88.2-35.8000112.4
214L34.8Very low38.9Very low175 Ų175157.5 Ų157.592%0.91683%0.826SS**  trans-12691.5158.9-135.276.4000110
215K42.3Very low39.2Very low202 Ų202152.7 Ų152.788%0.87882%0.824SS**  trans-72.7125.7176.9-160.6166.4-175.31730108.6S217K215-S217 PolarHBondContact O-N 2.66Å
216C31.8Very low39.8Very low132 Ų132153 Ų15389%0.89283%0.826SS**  trans-54.8125.7171.4-58.40000111.8
217S46.2Very low39.9Very low116 Ų116148.3 Ų148.381%0.81182%0.816SS**  trans-145.3108.6147.5570000108.3K215K215-S217 PolarHBondContact O-N 2.66Å
218G37.6Very low40Very low71 Ų71145.6 Ų145.673%0.73282%0.823SS**  trans-76.8147.6170.800000111.7
219S37.6Very low40.1Very low110 Ų110147.7 Ų147.777%0.76983%0.829SS**  162.6124.6121.750.60000111
220E40.7Very low40Very low174 Ų174145.6 Ų145.681%0.81383%0.825SS**  trans62.8114.5138.7-61.4-175.5173.300122.2
221Y41.9Very low40.1Very low226 Ų226144.2 Ų144.289%0.88682%0.822SS**  trans56.9106.3135.4-77.6-87.9000121
222S42.2Very low40Very low113 Ų113143.6 Ų143.679%0.7982%0.819SS**  147.8143108.7-167.60000112.7
223P40.3Very low40.3Very low113 Ų113148.1 Ų148.173%0.73483%0.825SS**  trans-108.5131.6-165.336.3-24000113.6
224V46.2Very low40.7Very low151 Ų151149.7 Ų149.792%0.91583%0.828SS**  trans-158.6114.6150-171.20000110.9
225G38.7Very low40.8Very low66 Ų66150.9 Ų150.968%0.6883%0.829SS**  trans63.1115.4136.200000121
226L46.2Very low40.8Very low168 Ų168145 Ų14588%0.8883%0.826SS**  167.2153.5105-86.4164.7000110.6
227P36.5Very low41.3Very low115 Ų115142.4 Ų142.475%0.74782%0.821SS**  trans-86.9143.9-168.635.3-31.8000111.6
228C40.1Very low40.8Very low130 Ų130146.2 Ų146.288%0.87883%0.826SS**  trans-111.1134.5169-75.80000110.8
229E40.2Very low41Very low186 Ų186149.5 Ų149.587%0.86983%0.832SS**  trans-64.3144.1-172.1-71.1166.3134.400113.7
230I35.2Very low41Very low151 Ų151148.9 Ų148.977%0.77483%0.828SS**  trans-71.4123.9167.8-63.2165.2000107.8
231I45.2Very low40.8Very low153 Ų153149.4 Ų149.479%0.78583%0.827SS**  trans-107.9107.2164.8-59.9177000106.7
232D39.6Very low40.5Very low139 Ų139142.9 Ų142.974%0.74382%0.815SS**  trans-64.3134.2167.6-72.9-46.2000110
233W43.2Very low40.3Very low259 Ų259143.6 Ų143.698%0.98181%0.814SS**  trans-120.9115.7162.3-115.50.1000111.1
234E47.3Very low40.4Very low194 Ų194146.2 Ų146.291%0.90782%0.821SS**  trans-69.3142.4177.8-85.6-177.9141.200112.6
235E38.3Very low40.1Very low200 Ų200146.2 Ų146.294%0.93582%0.816SS**  trans-76.5135.6171.7-170.5175.3-154.100110.9
236G41.9Very low40.4Very low79 Ų79150.4 Ų150.481%0.81482%0.823SS**  trans157.5120.416300000115.8
237G42.9Very low40.5Very low77 Ų77149.2 Ų149.279%0.79482%0.817SS**  trans139.474.2151.100000116.4T239G237-T239 PolarHBondContact O-N 3.36Å
238Q35.1Very low41.3Very low196 Ų196151 Ų15192%0.91682%0.82SS**  trans-58.9124.3156.4-73179.5-23.700110
239T41Very low41.7Very low140 Ų140153.8 Ų153.886%0.85982%0.82SS**  trans-144.4125.4146.852.70000111.4G237G237-T239 PolarHBondContact O-N 3.36Å
240S38.3Very low42.5Very low97 Ų97152 Ų15268%0.67882%0.815SS**  trans-58.7145.6169.1460000114.6
241F36.9Very low43.7Very low185 Ų185149.6 Ų149.681%0.81181%0.812SS**  162114.5112.5-108.2-100000110.8
242S35.4Very low44Very low88 Ų88151.1 Ų151.162%0.61582%0.816SS**  50.8148.1128.768.60000122.7
243V37.8Very low45.2Very low128 Ų128151.4 Ų151.478%0.77682%0.817SS**  trans87.5100.5158.2-166.70000113.3
244L43.2Very low45.8Very low169 Ų169144 Ų14489%0.88581%0.805SS**  trans-175.577.3132.1-89-176.5000107.5
245N38.8Very low46.5Very low151 Ų151141.7 Ų141.781%0.80780%0.799SS**  trans-96.4116.4151.4-102.7-13.6000104.3
246D45.7Very low47.8Very low154 Ų154138.8 Ų138.882%0.82480%0.795SS**  trans-176.7145145.7-85.3-28.6000108.4
247D48.1Very low49.2Very low143 Ų143144.4 Ų144.477%0.76580%0.797SS**  trans81.280.7167.6-56.6-27.7000119.2
248L52.4Low50.2Low152 Ų152149.7 Ų149.780%0.79680%0.801SS**  trans-143.679.8142.5-104.9149.4000109.4L250L248-L250 HydrophobicContact CD2-CD1 3.91Å; L248-L250 HydrophobicContact CD2-CD2 4.27Å; L248-L250 HydrophobicContact CD2-CG 3.85Å; L248-L250 PolarHBondContact O-N 2.9Å
249Q49.1Very low52Low188 Ų188149.3 Ų149.388%0.87980%0.799SS**  trans-72.7107.3159.2-64.8-167.613.100107.9
250L58.1Low53.3Low148 Ų148151.6 Ų151.678%0.77579%0.794SS**  trans-113.2113.3163.8-69.6178.7000108.1L248L248-L250 HydrophobicContact CD2-CD1 3.91Å; L248-L250 HydrophobicContact CD2-CD2 4.27Å; L248-L250 HydrophobicContact CD2-CG 3.85Å; L248-L250 PolarHBondContact O-N 2.9Å
251S60.4Low54.7Low101 Ų101152.8 Ų152.871%0.70680%0.8SS**  trans-61.2139.9-178.646.50000112.1D253S251-D253 PolarHBondContact O-N 3.27Å
252E50.5Low56.3Low186 Ų186149.6 Ų149.687%0.86979%0.792SS**  trans-73.9108.8168.1-62168.2132.200108.2
253D65Low57.1Low145 Ų145153.5 Ų153.578%0.77581%0.806SS**  trans-129.8109.3164.3-77.8-47.5000109.6S251S251-D253 PolarHBondContact O-N 3.27Å
254S54.6Low58.3Low102 Ų102151.5 Ų151.571%0.71380%0.803SS**  trans-57.4144.8167.649.10000112.5
255D62.6Low59.2Low146 Ų146152.4 Ų152.478%0.78180%0.803SS**  trans169.384.8133.1-86.3-14.8000110.2
256T66.4Low59.9Low139 Ų139149.6 Ų149.685%0.85380%0.8SS**  trans-94.9103.4160.143.70000108.5E258T256-E258 PolarHBondContact O-N 3.27Å
257K70Confident60.4Low197 Ų197149.1 Ų149.186%0.85780%0.803SS**  trans-68.5117.9164.8-70.4177.4178.2172.40108.3E259K257-E259 PolarHBondContact O-N 3.31Å
258E65.5Low60.6Low189 Ų189146.9 Ų146.988%0.88380%0.799SS**  trans-74.8114166.7-60.9-153.5164.500108.7T256T256-E258 PolarHBondContact O-N 3.27Å
259E71.3Confident60.6Low188 Ų188146.2 Ų146.288%0.87980%0.796SS**  trans-95.6111.6166.5-121.7179.4-170.900109K257K257-E259 PolarHBondContact O-N 3.31Å
260Y69.7Low60.5Low188 Ų188145.6 Ų145.674%0.73779%0.793SS**  trans-59.6120.9172.9178.7-97.3000110.9D262Y260-D262 WeakPolarHBondContact CE1-OD1 3.42Å; Y260-D262 VanDerWaalsContact CE1-OD2 3.32Å; Y260-D262 WeakPolarHBondContact CE1-OD2 3.48Å; Y260-D262 PolarHBondContact OH-OD1 3.4Å
261C68.2Low60.5Low122 Ų122143.9 Ų143.982%0.82479%0.793SS**  trans-112110.2170.1-75.90000109.2
262D69.4Low60Low118 Ų118148.2 Ų148.263%0.63180%0.802SS**  trans-62.5128.9175.8-77.3-58.3000112.5Y260Y260-D262 WeakPolarHBondContact CE1-OD1 3.42Å; Y260-D262 VanDerWaalsContact CE1-OD2 3.32Å; Y260-D262 WeakPolarHBondContact CE1-OD2 3.48Å; Y260-D262 PolarHBondContact OH-OD1 3.4Å
263D52.2Low59.9Low169 Ų169142.6 Ų142.690%0.90479%0.794SS**  trans-67.3125.8158.9-78.2-48.2000110
264A64.2Low59.4Low87 Ų87141.7 Ų141.772%0.71980%0.796SS**  trans-144.8107.8164.200000111.8
265E61.2Low59.2Low188 Ų188144.5 Ų144.588%0.87980%0.803SS**  trans66.5113.9132.3-63.6-89.2132.400119.2
266A52.8Low59.1Low91 Ų91145.6 Ų145.675%0.75281%0.808SS**  trans-53.2141.916200000113.3
267T57.7Low58.9Low144 Ų144144.4 Ų144.488%0.88380%0.803SS**  trans-148.5137.3139.143.80000110.8
268S52.3Low58.1Low97 Ų97144.3 Ų144.368%0.67881%0.806SS**  trans-75.9169178.1560000112.9
269N51.2Low57.6Low137 Ų137144.3 Ų144.373%0.73381%0.806SS**  trans125.4102.8153.3-58.5-10.3000111.4
270E48.1Very low57.1Low176 Ų176140.8 Ų140.882%0.82280%0.802SS**  81.6106.183.6-160-175.9150.200113
271S56.9Low56.8Low111 Ų111137.3 Ų137.378%0.77681%0.805SS**  trans180110.3145.643.50000108.3
272H51.3Low56.6Low192 Ų192136.7 Ų136.789%0.88980%0.799SS**  79.8106.286-99.3-15.2000115.9
273G47.4Very low55.7Low69 Ų69135.9 Ų135.971%0.71181%0.809SS**  trans118.7154.9137.800000116.8
274P53.9Low55.8Low125 Ų125135.7 Ų135.781%0.81281%0.807SS**  cis-133.2171.7-43.435.1-18.4000113.3
275N51Low55.3Low162 Ų162136.5 Ų136.587%0.86681%0.807SS**  trans-34.3137173.5-64.2-64.5000116.9
276L61.1Low54.6Low168 Ų168133.7 Ų133.788%0.8881%0.807SS**  trans-107.3138.9154.9-82.4171000109.8
277P62.4Low54.2Low115 Ų115134.5 Ų134.575%0.74781%0.807SS**  trans-82.1154.7-176.533.2-33.2000112.9
278E51.7Low54.1Low195 Ų195133 Ų13391%0.91180%0.803SS**  trans-59.5126.2173.3-60.7179.411700112
279E55.2Low54.2Low189 Ų189133.4 Ų133.488%0.88381%0.811SS**  trans-101.7101.8162-72.4-127.8116.600109.8S281E279-S281 PolarHBondContact O-N 3.16Å
280S60.7Low54Low114 Ų114130.8 Ų130.880%0.79782%0.817SS**PPolyproline II helixtrans-57.8117.7167.6156.20000111.5
281S64.3Low54.4Low114 Ų114127.3 Ų127.380%0.79782%0.818SS**PPolyproline II helixtrans-94.2133.6163.1-69.70000110.7E279E279-S281 PolarHBondContact O-N 3.16Å
282P64.1Low54.8Low110 Ų110131.2 Ų131.271%0.71483%0.827SS**PPolyproline II helixtrans-80.5145.8-174.932.2-33.2000112.3L284P282-L284 PolarHBondContact O-N 3.46Å
283A50.6Low55.1Low100 Ų100125.7 Ų125.783%0.82682%0.822SS**PPolyproline II helixtrans-63121.8170.100000111S285A283-S285 PolarHBondContact O-N 3.25Å
284L54.9Low55.7Low165 Ų165131.4 Ų131.486%0.86483%0.83SS**  trans-83.4105.2165.6-68.4177.9000108.8P282P282-L284 PolarHBondContact O-N 3.46Å
285S51.7Low55.9Low104 Ų104131.9 Ų131.973%0.72783%0.831SS**  trans-69.8116.8172.1-178.80000110.1A283 S287A283-S285 PolarHBondContact O-N 3.25Å; S285-S287 PolarHBondContact O-N 3.14Å
286C48Very low56.4Low130 Ų130129.8 Ų129.888%0.87883%0.829SS**  trans-80.1111.1166.3-60.30000108.7
287S43.6Very low55.9Low107 Ų107127.5 Ų127.575%0.74882%0.824SS**  trans-130.7106.6169-73.10000109.4S285S285-S287 PolarHBondContact O-N 3.14Å
288S55Low55.2Low114 Ų114129.5 Ų129.580%0.79783%0.828SS**  trans-159.894.6156.741.90000106.5
289A54.7Low55.1Low104 Ų104126 Ų12686%0.8682%0.82SS**  70.3100.889.900000111.2
290G47.8Very low54.8Low83 Ų83126.6 Ų126.686%0.85682%0.822SS**  trans-69.4152.9168.400000111.9
291A56.3Low54.5Low102 Ų102125.8 Ų125.884%0.84382%0.823SS**  trans-142.1111.8155.200000106.5
292M64.2Low53.9Low193 Ų193129 Ų12995%0.95183%0.825SS**  trans-80.9129.3170-50.4-144.9-57.400107.4
293G59Low53.5Low77 Ų77128.7 Ų128.779%0.79483%0.826SS**  trans-142.892.5174.800000108.9
294E59.4Low53.7Low189 Ų189131.3 Ų131.388%0.88383%0.826SS**  trans-72.3131.8164.2-58.5-174.8127.400108.8
295T57.8Low54Low134 Ų134131.1 Ų131.182%0.82283%0.825SS**  trans-164.1109.9140.147.20000110.1
296S61.6Low54.8Low119 Ų119131.8 Ų131.883%0.83283%0.827SS**  trans48.6142.9136.8-54.90000123.3
297P50.4Low55.5Low119 Ų119132.5 Ų132.577%0.77382%0.822SS**  trans-94.2145.5-176.938-31.6000112.3
298L48.4Very low56.7Low158 Ų158133 Ų13383%0.82782%0.822SS**  trans-142.5114.2166-82.7179.2000111.3
299T50.5Low57Low121 Ų121134.7 Ų134.774%0.74282%0.821SS**  trans58.9120.8131.255.90000120.1
300E47.7Very low57.2Low201 Ų201138.4 Ų138.494%0.93982%0.82SS**  trans-50.7128.5163.6-53.9-168.6153.400111.8
301A55.2Low57.9Low97 Ų97141.5 Ų141.580%0.80282%0.816SS**  trans-142.6121.1157.400000107.4
302E51.4Low58.1Low182 Ų182145.2 Ų145.285%0.8582%0.816SS**  trans-57.6174.4166.9-68.7170.610000111.3
303S55.1Low57.7Low103 Ų103143 Ų14372%0.7281%0.808SS**  trans7298.3171.6420000116.5
304D54.2Low57.4Low155 Ų155143.4 Ų143.483%0.82980%0.803SS**  174.412098.1-84.4-29.7000110.6
305L61.6Low57.1Low162 Ų162140.4 Ų140.485%0.84880%0.798SS**PPolyproline II helixtrans-62.9133169.4-80.4156000108.8N307L305-N307 PolarHBondContact O-N 3.28Å
306P68Low57.1Low118 Ų118138.5 Ų138.577%0.76679%0.79SS**PPolyproline II helixtrans-65.6124.8172.526.3-30.6000108.8
307N62.8Low57Low144 Ų144141.8 Ų141.877%0.7779%0.792SS**PPolyproline II helixtrans-49.9142.9173.5-78.9-34.8000110.6L305 I309L305-N307 PolarHBondContact O-N 3.28Å; N307-I309 PolarHBondContact O-N 2.96Å
308P68.8Low57.4Low118 Ų118140.2 Ų140.277%0.76678%0.783SS**  trans-58.6115170.925.5-31.7000108.2E310P308-E310 PolarHBondContact O-N 3Å
309I63.2Low57.9Low149 Ų149141.9 Ų141.976%0.76479%0.786SS**  trans-54.3122.1169.1-68.8166.4000106.6N307 I311N307-I309 PolarHBondContact O-N 2.96Å; I309-I311 PolarHBondContact O-N 3.27Å
310E57.1Low58.4Low182 Ų182139.3 Ų139.385%0.8579%0.785SS**  trans-58100172.3-64.6179.4164.700108.3P308 E312P308-E310 PolarHBondContact O-N 3Å; E310-E312 PolarHBondContact O-N 3.31Å
311I63.9Low58.9Low149 Ų149137 Ų13776%0.76478%0.778SS**  trans-90.462167.5-51.4171.1000106.4I309I309-I311 PolarHBondContact O-N 3.27Å
312E59.6Low59.1Low179 Ų179135.4 Ų135.484%0.83677%0.771SS**  trans-126.453.9174.2-68.2-160.3176.600109.6E310E310-E312 PolarHBondContact O-N 3.31Å
313D55.3Low59.8Low148 Ų148131.6 Ų131.679%0.79177%0.77SS**SBendtrans-157.818.1168.7-143.86.3000115.8
314A54.2Low60.5Low84 Ų84132.7 Ų132.769%0.69477%0.767SS**SBendtrans-112.38.3178.500000113.9
315V53.2Low61.6Low127 Ų127130 Ų13077%0.7775%0.752SS**SBendtrans-104.62.2-179.1-151.70000112.3
316S58Low62.5Low93 Ų93129.6 Ų129.665%0.6575%0.746SS**THydrogen-bonded Turntrans-90.82.3-176.8-166.60000114.9
317E58.7Low62.9Low188 Ų188130.1 Ų130.188%0.87974%0.738SS**THydrogen-bonded Turntrans-107.78.5-175.7-135.5175-167.200114.4
318C57.8Low63.8Low86 Ų86126.8 Ų126.858%0.58172%0.723SS**  trans-95.6-1.9-178.9-56.10000114.7G320C318-G320 PolarHBondContact O-N 2.95Å; C318-G320 VanDerWaalsContact O-N 3.13Å
319E60.7Low64.6Low193 Ų193124.2 Ų124.290%0.90271%0.705SS**THydrogen-bonded Turntrans-74.75.2179-82.3178.8152.500114.1
320G59.6Low65.6Low68 Ų68121.1 Ų121.170%0.70169%0.69SS**THydrogen-bonded Turntrans-105.410.8178.400000115.5C318 G322C318-G320 PolarHBondContact O-N 2.95Å; C318-G320 VanDerWaalsContact O-N 3.13Å; G320-G322 PolarHBondContact O-N 3.06Å
321L58.6Low66.9Low153 Ų153117.4 Ų117.480%0.80168%0.675SS**  trans-74.286.9170.1-62.8-177.8000108.3
322G59.9Low67.9Low63 Ų63114.5 Ų114.565%0.64966%0.664SS**  trans-46.5144171.100000110.3G320 I324G320-G322 PolarHBondContact O-N 3.06Å; G322-I324 PolarHBondContact O-N 3.04Å; G322-I324 VanDerWaalsContact O-N 3.07Å
323A66.4Low69.1Low102 Ų102110 Ų11084%0.84365%0.646SS**  trans-29.1113.7-178.200000111.2D325A323-D325 PolarHBondContact O-N 3.45Å; A323-D325 VanDerWaalsContact O-N 3.11Å
324I68.9Low70.5Confident125 Ų125107.8 Ų107.864%0.64163%0.633SS**  trans-49.2123.6171.1-52.9167.5000105.4G322 E326 V328G322-I324 PolarHBondContact O-N 3.04Å; G322-I324 VanDerWaalsContact O-N 3.07Å; I324-E326 PolarHBondContact O-N 3.22Å; I324-V328 HydrophobicContact CG2-CB 3.95Å; I324-V328 HydrophobicContact CG2-CG1 3.98Å
325D78.2Confident71.9Confident99 Ų99106.7 Ų106.753%0.52962%0.624SS.*  trans-50.5135.3-175.6-163.710.4000109.5A323 E327 V328 T329A323-D325 PolarHBondContact O-N 3.45Å; A323-D325 VanDerWaalsContact O-N 3.11Å; D325-E327 PolarHBondContact O-N 2.82Å; D325-E327 VanDerWaalsContact O-N 3.09Å; D325-V328 HydrophobicContact CB-CG2 4.28Å; D325-V328 PolarHBondContact O-N 3.38Å; D325-T329 PolarHBondContact O-N 3.39Å; D325-T329 PolarHBondContact O-OG1 3.41Å
326E78.7Confident73.4Confident154 Ų154107.5 Ų107.572%0.7262%0.617SS**Hα-helixtrans-52.9-35.2-177.1-169.6169.8-172.400110I324 V328 T329 D330I324-E326 PolarHBondContact O-N 3.22Å; E326-V328 PolarHBondContact O-N 3Å; E326-T329 WeakPolarHBondContact O-CB 3.45Å; E326-T329 PolarHBondContact O-N 3.13Å; E326-D330 PolarHBondContact O-N 2.94Å
327E76.6Confident74.5Confident128 Ų128111 Ų11160%0.59862%0.621SS**Hα-helixtrans-61.4-38.2175.9-166.2176175.900114D325 T329 D330 I331D325-E327 PolarHBondContact O-N 2.82Å; D325-E327 VanDerWaalsContact O-N 3.09Å; E327-T329 VanDerWaalsContact C-N 3.33Å; E327-D330 PolarHBondContact O-N 3.27Å; E327-I331 WeakPolarHBondContact O-CG1 3.46Å; E327-I331 PolarHBondContact O-N 3.03Å; E327-I331 VanDerWaalsContact O-N 3.15Å
328V82.6Confident75.6Confident74 Ų74106.2 Ų106.245%0.44860%0.6SS.*Hα-helixtrans-71.7-34.6177.6177.10000110.5I324 D325 E326 D330 V332I324-V328 HydrophobicContact CG2-CB 3.95Å; I324-V328 HydrophobicContact CG2-CG1 3.98Å; D325-V328 HydrophobicContact CB-CG2 4.28Å; D325-V328 PolarHBondContact O-N 3.38Å; E326-V328 PolarHBondContact O-N 3Å; V328-D330 VanDerWaalsContact C-N 3.34Å; V328-V332 WeakPolarHBondContact O-CG2 3.39Å; V328-V332 PolarHBondContact O-N 3.44Å
329T86.3Confident76.5Confident64 Ų64104.9 Ų104.939%0.39360%0.602SS.*Hα-helixtrans-67.7-38176.9-47.40000110.9D325 E326 E327 V332 N333D325-T329 PolarHBondContact O-N 3.39Å; D325-T329 PolarHBondContact O-OG1 3.41Å; E326-T329 WeakPolarHBondContact O-CB 3.45Å; E326-T329 PolarHBondContact O-N 3.13Å; E327-T329 VanDerWaalsContact C-N 3.33Å; T329-V332 PolarHBondContact O-N 3.32Å; T329-N333 WeakPolarHBondContact O-CB 3.47Å; T329-N333 VanDerWaalsContact O-CG 3.3Å; T329-N333 PolarHBondContact O-N 3.13Å; T329-N333 PolarHBondContact O-ND2 3.49Å
330D83.1Confident76.8Confident85 Ų85102.2 Ų102.246%0.45559%0.594SS.*Hα-helixtrans-66.6-42.7176.4-76.4-16.4000112.8E326 E327 V328 V332 N333 I334E326-D330 PolarHBondContact O-N 2.94Å; E327-D330 PolarHBondContact O-N 3.27Å; V328-D330 VanDerWaalsContact C-N 3.34Å; D330-V332 VanDerWaalsContact C-N 3.33Å; D330-V332 PolarHBondContact O-N 2.88Å; D330-N333 PolarHBondContact O-N 2.88Å; D330-I334 VanDerWaalsContact O-CG1 3.28Å; D330-I334 WeakPolarHBondContact O-CG1 3.41Å; D330-I334 PolarHBondContact O-N 3.08Å
331I84.1Confident77Confident104 Ų104105.6 Ų105.653%0.53359%0.591SS.*Hα-helixtrans-61.8-43.2176.8-66.3165.8000110.9E327 N333 I334 A335E327-I331 WeakPolarHBondContact O-CG1 3.46Å; E327-I331 PolarHBondContact O-N 3.03Å; E327-I331 VanDerWaalsContact O-N 3.15Å; I331-N333 VanDerWaalsContact C-N 3.35Å; I331-I334 PolarHBondContact O-N 3.33Å; I331-A335 WeakPolarHBondContact O-CB 3.46Å; I331-A335 PolarHBondContact O-N 2.84Å
332V85.5Confident77Confident87 Ų87101.1 Ų101.153%0.52758%0.581SS.*Hα-helixtrans-65.9-38.6177.2174.30000111.1V328 T329 D330 A335 K336V328-V332 WeakPolarHBondContact O-CG2 3.39Å; V328-V332 PolarHBondContact O-N 3.44Å; T329-V332 PolarHBondContact O-N 3.32Å; D330-V332 VanDerWaalsContact C-N 3.33Å; D330-V332 PolarHBondContact O-N 2.88Å; V332-A335 PolarHBondContact O-N 3.41Å; V332-K336 WeakPolarHBondContact O-CB 3.44Å; V332-K336 PolarHBondContact O-N 2.82Å
333N85.6Confident76.9Confident86 Ų86105.4 Ų105.446%0.4658%0.583SS.*Hα-helixtrans-66.6-38.4175.8-78.4-26000112.7T329 D330 I331 K336 K337T329-N333 WeakPolarHBondContact O-CB 3.47Å; T329-N333 VanDerWaalsContact O-CG 3.3Å; T329-N333 PolarHBondContact O-N 3.13Å; T329-N333 PolarHBondContact O-ND2 3.49Å; D330-N333 PolarHBondContact O-N 2.88Å; I331-N333 VanDerWaalsContact C-N 3.35Å; N333-K336 PolarHBondContact O-N 3.38Å; N333-K337 PolarHBondContact O-N 3.29Å
334I84.3Confident76.7Confident101 Ų101104.8 Ų104.852%0.51857%0.572SS.*Hα-helixtrans-66.1-46.4175.3-67.6163.5000110.3D330 I331 K336 K337 L338D330-I334 VanDerWaalsContact O-CG1 3.28Å; D330-I334 WeakPolarHBondContact O-CG1 3.41Å; D330-I334 PolarHBondContact O-N 3.08Å; I331-I334 PolarHBondContact O-N 3.33Å; I334-K336 VanDerWaalsContact C-N 3.27Å; I334-K336 PolarHBondContact O-N 3.1Å; I334-K337 PolarHBondContact O-N 3.13Å; I334-L338 HydrophobicContact CG2-CD1 3.75Å; I334-L338 HydrophobicContact CG2-CG 4.29Å; I334-L338 WeakPolarHBondContact O-CB 3.37Å; I334-L338 VanDerWaalsContact O-CG 3.32Å; I334-L338 WeakPolarHBondContact O-CG 3.32Å; I334-L338 PolarHBondContact O-N 2.94Å
335A82.2Confident76.3Confident61 Ų61105 Ų10550%0.50458%0.575SS.*Hα-helixtrans-61-37.4177.200000112.1I331 V332 G339I331-A335 WeakPolarHBondContact O-CB 3.46Å; I331-A335 PolarHBondContact O-N 2.84Å; V332-A335 PolarHBondContact O-N 3.41Å; A335-G339 PolarHBondContact O-N 3.3Å
336K85.1Confident75.4Confident144 Ų144108.3 Ų108.363%0.62659%0.589SS**Hα-helixtrans-69.3-41.8176.3-163.7174.4-179.1-179.60112.3V332 N333 I334 G339 D340V332-K336 WeakPolarHBondContact O-CB 3.44Å; V332-K336 PolarHBondContact O-N 2.82Å; N333-K336 PolarHBondContact O-N 3.38Å; I334-K336 VanDerWaalsContact C-N 3.27Å; I334-K336 PolarHBondContact O-N 3.1Å; K336-G339 PolarHBondContact O-N 2.81Å; K336-D340 PolarHBondContact O-N 3.36Å
337K82.5Confident74.6Confident167 Ų167106.9 Ų106.973%0.72659%0.585SS**Hα-helixtrans-62.1-42.1173-87.1-175.4173.3-177.70112.2N333 I334 E341N333-K337 PolarHBondContact O-N 3.29Å; I334-K337 PolarHBondContact O-N 3.13Å; K337-E341 PolarHBondContact O-N 3.43Å
338L80Confident73.8Confident86 Ų86107.8 Ų107.845%0.4559%0.589SS.*Hα-helixtrans-73.8-24179.5-68174000113.6I334I334-L338 HydrophobicContact CG2-CD1 3.75Å; I334-L338 HydrophobicContact CG2-CG 4.29Å; I334-L338 WeakPolarHBondContact O-CB 3.37Å; I334-L338 VanDerWaalsContact O-CG 3.32Å; I334-L338 WeakPolarHBondContact O-CG 3.32Å; I334-L338 PolarHBondContact O-N 2.94Å
339G76.8Confident72.7Confident59 Ų59109.8 Ų109.861%0.60860%0.597SS**Hα-helixtrans-76.8-28.6175.600000113.9A335 K336A335-G339 PolarHBondContact O-N 3.3Å; K336-G339 PolarHBondContact O-N 2.81Å
340D67.7Low71.5Confident137 Ų137112.8 Ų112.873%0.73361%0.611SS**Hα-helixtrans-87.4-16.9178.8-69.3-19.1000112.5K336 G342K336-D340 PolarHBondContact O-N 3.36Å; D340-G342 PolarHBondContact O-N 2.96Å
341E62.9Low70.6Confident139 Ų139113.8 Ų113.865%0.6562%0.615SS**SBendtrans-89.184.6175.4-147.5152.3-138.900109.3K337 F343K337-E341 PolarHBondContact O-N 3.43Å; E341-F343 WeakPolarHBondContact O-CD2 3.43Å; E341-F343 PolarHBondContact O-N 3Å
342G59Low69.5Low58 Ų58117.8 Ų117.860%0.59862%0.623SS**  trans-51.7106.8-172.400000114.4D340 S344D340-G342 PolarHBondContact O-N 2.96Å; G342-S344 PolarHBondContact O-N 3.36Å
343F58.5Low68.4Low154 Ų154121 Ų12168%0.67563%0.633SS**THydrogen-bonded Turntrans-7114.2165-66.9-83.3000113.4E341 D345E341-F343 WeakPolarHBondContact O-CD2 3.43Å; E341-F343 PolarHBondContact O-N 3Å; F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 3.47Å
344S62.4Low67.1Low89 Ų89127.8 Ų127.862%0.62265%0.652SS**THydrogen-bonded Turntrans-73.7-19.5-174.357.80000114.2G342G342-S344 PolarHBondContact O-N 3.36Å
345D60.1Low66Low130 Ų130129.1 Ų129.170%0.69566%0.659SS**SBendtrans-105.8-7.4-163.4-69.211.4000114F343F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 3.47Å
346M58.7Low64.9Low167 Ų167133.3 Ų133.382%0.82367%0.673SS**SBendtrans-100.5-3.9-172.9-118.6177.958.100115.4
347I61.8Low63.6Low125 Ų125132.4 Ų132.464%0.64168%0.683SS**SBendtrans-102.7-19.3-179-67.1171.2000112.4I351I347-I351 HydrophobicContact CG2-CD1 4.41Å
348E60.3Low62.2Low146 Ų146127.4 Ų127.468%0.68268%0.679SS**SBendtrans-85.5-31.7-172.9-152172.6-172.300113.8
349D59.4Low61Low116 Ų116132.5 Ų132.562%0.6270%0.698SS**Hα-helixtrans-79-32.4-177.5-81.3-18.6000113.8I351 R352 E353D349-I351 VanDerWaalsContact C-N 3.25Å; D349-I351 PolarHBondContact O-N 3.26Å; D349-R352 PolarHBondContact O-N 2.79Å; D349-R352 VanDerWaalsContact O-N 3.14Å; D349-E353 PolarHBondContact O-N 3.26Å
350D62Low59.7Low128 Ų128137.5 Ų137.568%0.68471%0.71SS**Hα-helixtrans-70.7-20.6-178.6-115.820.5000113.2
351I63Low59Low106 Ų106140.4 Ų140.454%0.54472%0.716SS.*Hα-helixtrans-86.7-29.1175.4-53.4174.5000110.4I347 D349 I355I347-I351 HydrophobicContact CG2-CD1 4.41Å; D349-I351 VanDerWaalsContact C-N 3.25Å; D349-I351 PolarHBondContact O-N 3.26Å; I351-I355 HydrophobicContact CG2-CD1 4.36Å; I351-I355 WeakPolarHBondContact O-CD1 3.32Å; I351-I355 WeakPolarHBondContact O-CG1 2.92Å
352R62.2Low58.3Low187 Ų187139.5 Ų139.571%0.70672%0.72SS**Hα-helixtrans-76.9-34.7-177.1-124.5176178.11732.3112.7D349 R354D349-R352 PolarHBondContact O-N 2.79Å; D349-R352 VanDerWaalsContact O-N 3.14Å; R352-R354 VanDerWaalsContact C-N 3.32Å; R352-R354 PolarHBondContact O-N 3.28Å
353E61.5Low58.2Low156 Ų156143.1 Ų143.173%0.72973%0.726SS**THydrogen-bonded Turntrans-74.1-22.2178.3-161.8171.3-166.700113D349 I355D349-E353 PolarHBondContact O-N 3.26Å; E353-I355 PolarHBondContact O-N 3.04Å
354R58.9Low58.2Low228 Ų228143.9 Ų143.986%0.8673%0.732SS**THydrogen-bonded Turntrans-81.8-10.5-177.3-143.7173.7-178.6-174.11.3114.7R352R352-R354 VanDerWaalsContact C-N 3.32Å; R352-R354 PolarHBondContact O-N 3.28Å
355I61.6Low58.1Low128 Ų128148.3 Ų148.366%0.65674%0.74SS**THydrogen-bonded Turntrans-103.2-16.8-176.9-49.9170.3000111.6I351 E353I351-I355 HydrophobicContact CG2-CD1 4.36Å; I351-I355 WeakPolarHBondContact O-CD1 3.32Å; I351-I355 WeakPolarHBondContact O-CG1 2.92Å; E353-I355 PolarHBondContact O-N 3.04Å
356D58.8Low58.2Low150 Ų150149.1 Ų149.180%0.80274%0.743SS**THydrogen-bonded Turntrans-93.46-170.7-1354.7000115.3
357C57.9Low58.4Low124 Ų124149.6 Ų149.684%0.83875%0.745SS**THydrogen-bonded Turntrans-98.19.1170.6-75.10000114K359C357-K359 PolarHBondContact O-N 3.36Å
358G52.4Low58.3Low63 Ų63151.6 Ų151.665%0.64975%0.752SS**  trans-85.982.1178.600000113.3L360G358-L360 PolarHBondContact O-N 3.19Å
359K55.9Low58.2Low192 Ų192149.6 Ų149.684%0.83575%0.754SS**  trans-35.6110.1168-137.3167.8-171.6169.70111.9C357 F361C357-K359 PolarHBondContact O-N 3.36Å; K359-F361 PolarHBondContact O-N 3.3Å
360L49.8Very low57.8Low164 Ų164152.4 Ų152.486%0.85977%0.768SS**  trans-43.3106.6171.1-81.9148.6000111.7G358G358-L360 PolarHBondContact O-N 3.19Å
361F52.6Low57.5Low198 Ų198152.3 Ų152.387%0.86877%0.773SS**  trans-85.3105.5155.6-88.1-83.5000108K359 N363K359-F361 PolarHBondContact O-N 3.3Å; F361-N363 PolarHBondContact O-N 2.97Å; F361-N363 VanDerWaalsContact O-N 3.16Å
362T47.5Very low57.1Low120 Ų120151.1 Ų151.174%0.73679%0.787SS**  trans-57.5109.9168.635.60000110E364T362-E364 VanDerWaalsContact C-N 3.34Å; T362-E364 PolarHBondContact O-N 3.41Å
363N56.1Low57.2Low134 Ų134147 Ų14772%0.71779%0.787SS**  trans-90.728.1-176.267.7-29.1000113.7F361 K365F361-N363 PolarHBondContact O-N 2.97Å; F361-N363 VanDerWaalsContact O-N 3.16Å; N363-K365 VanDerWaalsContact C-N 3.27Å; N363-K365 PolarHBondContact O-N 2.81Å
364E59.9Low57.2Low171 Ų171147.4 Ų147.480%0.79979%0.794SS**THydrogen-bonded Turntrans-76.1-9.5-176.280.6179.1-154.400114.5T362T362-E364 VanDerWaalsContact C-N 3.34Å; T362-E364 PolarHBondContact O-N 3.41Å
365K60.1Low57.7Low181 Ų181142.9 Ų142.979%0.78779%0.787SS**THydrogen-bonded Turntrans-100.6-1.8-173-153.1169.3-178.8176.50115.6N363N363-K365 VanDerWaalsContact C-N 3.27Å; N363-K365 PolarHBondContact O-N 2.81Å
366L62.2Low58.2Low147 Ų147143.8 Ų143.877%0.7779%0.792SS**THydrogen-bonded Turntrans-94.43-174.3-88164.8000115.5
367M61.6Low59Low177 Ų177145.1 Ų145.187%0.87280%0.796SS**THydrogen-bonded Turntrans-106.77.6-179.9-71.7-71-75.700114.9
368Q59.9Low60.1Low167 Ų167148 Ų14878%0.7880%0.797SS**SBendtrans-114-1.2-173.4-71.5-172.4-8.400116.5
369S58.3Low61.3Low104 Ų104152.3 Ų152.373%0.72781%0.805SS**SBendtrans-110.516.7-175.658.60000115.6
370L51.6Low62.2Low175 Ų175149.4 Ų149.492%0.91680%0.804SS**  trans-107.752.1173.4-153.478.2000110.9
371T54.9Low63.4Low126 Ų126145.1 Ų145.177%0.77380%0.799SS**  trans-126.494.4166.2-21.90000106.5S373T371-S373 PolarHBondContact O-N 3.42Å
372G54.7Low64.1Low82 Ų82144.1 Ų144.185%0.84583%0.827SS**  trans-65.9114169.600000108.8
373S65.8Low64.9Low101 Ų101145.4 Ų145.471%0.70683%0.832SS**  trans-85.2102.7162.159.30000107.9T371 D375T371-S373 PolarHBondContact O-N 3.42Å; S373-D375 PolarHBondContact O-N 3.37Å
374D61.7Low65.4Low164 Ų164145.9 Ų145.988%0.87784%0.838SS**  trans-59.8106.2152-98.6-28.2000107.6
375D68.8Low65.7Low132 Ų132144.6 Ų144.671%0.70684%0.84SS**  trans-128.298.3162.2-87.8-36.5000109.3S373S373-D375 PolarHBondContact O-N 3.37Å
376L71.5Confident66Low147 Ų147142.4 Ų142.477%0.7784%0.843SS**  48.2101127.7-80.7151.5000117.2E378L376-E378 PolarHBondContact O-N 3.45Å
377M76.2Confident66.3Low179 Ų179142.1 Ų142.188%0.88285%0.848SS**  trans-51.2115.4149.441.1-87.2-8300111.5
378E79.6Confident66.6Low183 Ų183139.8 Ų139.886%0.85585%0.846SS**  trans-96.6108161.7-152.8167.1-152.100108.8L376L376-E378 PolarHBondContact O-N 3.45Å
379D77.6Confident67.1Low155 Ų155137.9 Ų137.983%0.82985%0.851SS**  trans-65.5128.2171.1-1617.2000108.7
380T75.5Confident67.7Low131 Ų131140.5 Ų140.580%0.80486%0.861SS**  trans-137.291.1168.5-28.20000109
381G75.9Confident69.1Low74 Ų74137.6 Ų137.676%0.76386%0.856SS**  trans-82128.6160.100000110.8
382A66.6Low70.4Confident177 Ų177138.6 Ų138.6100%1.46386%0.864SS**  trans-1590148.800000109

Retrieved 382 of 382 residues in 355.7 ms (Link to these results)