A0A077Z3H2_TRITR Loading...

Nuclear hormone receptor family member nhr 41

AlphaFold DB , UniProt , Accession A0A077Z3H2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 529 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
1M33.6Very low36Very low243 Ų243169 Ų169100%1.19789%0.894SS**  077.60-56.5-167.4-158.800107.2
2Q30.9Very low36.1Very low197 Ų197163.5 Ų163.592%0.92189%0.891SS**  70.1102.879-142.6165.113.900112.8
3A33.6Very low36.4Very low109 Ų109162.4 Ų162.490%0.90188%0.883SS**  trans-138.2111.6165.400000109.7
4K33.8Very low36.4Very low202 Ų202162.8 Ų162.888%0.87888%0.876SS**  trans-98.6135.7161.7-85.8179.9170.8-179.50107.9
5K41.1Very low36.4Very low203 Ų203167.6 Ų167.688%0.88388%0.877SS**  trans165.3130.3147.2-106177.8169.9-179.60106.5
6I44.8Very low36.5Very low172 Ų172164.1 Ų164.188%0.88287%0.868SS**  -162.4146.487.7-79.9151.5000108.9
7C32.8Very low36.5Very low110 Ų110165.4 Ų165.474%0.74387%0.871SS**  trans-118156.3-170.5-119.10000110.8
8K34.5Very low36.4Very low191 Ų191162.6 Ų162.683%0.8387%0.867SS**  trans52127.9144.9-79.8-179.4170.2-1780121.6
9E37Very low36.4Very low182 Ų182158.8 Ų158.885%0.8586%0.86SS**  trans168.5117.8130.1-94.8166.1177.100107.9
10T39.5Very low36.4Very low148 Ų148157.9 Ų157.991%0.90886%0.86SS**  179.7141.692.728.60000109.3
11A34.7Very low36.2Very low102 Ų102155.2 Ų155.284%0.84385%0.854SS**  trans-131.3160.1175.700000109.8
12A37Very low36.3Very low103 Ų103153.8 Ų153.885%0.85184%0.841SS**  trans97.1110.1169.800000117
13D40.5Very low36.2Very low149 Ų149152.2 Ų152.280%0.79783%0.834SS**  -169.2158.7101.9-147.6-3.6000112.9
14Q36.1Very low36.2Very low168 Ų168152.5 Ų152.579%0.78583%0.826SS**  trans-76.2151.6-162.4-58.2157.419.800113.9
15R36.5Very low36.1Very low235 Ų235152.1 Ų152.189%0.88783%0.825SS**  174.614980.8-128.4177.4-165.1179.94110.1
16P37.1Very low35.7Very low112 Ų112147 Ų14773%0.72782%0.821SS**  trans-107.4156.2-177.138.4-29.6000114.8
17M37.2Very low35.1Very low186 Ų186146.1 Ų146.192%0.91682%0.817SS**  trans-144.1137.2161.5-84.8-76.2109.800109.3
18S33.8Very low35.1Very low115 Ų115143.5 Ų143.580%0.80481%0.809SS**  trans-72.6141.6-164.949.60000116.5
19A36.8Very low34.9Very low90 Ų90140.2 Ų140.274%0.74481%0.81SS**  trans-156108.7148.100000111.1
20T37.3Very low35.1Very low140 Ų140136.3 Ų136.386%0.85980%0.798SS**  trans48.4107145.158.60000120.4
21S32.2Very low35.3Very low103 Ų103134.1 Ų134.172%0.7279%0.787SS**  trans-30.6128.316453.20000119
22F34.9Very low35.7Very low213 Ų213134 Ų13493%0.93478%0.775SS**  trans-130114.5136.7-118.9-95.2000106.8
23E29.9Very low35.7Very low164 Ų164135.2 Ų135.277%0.76677%0.767SS**  trans-66.9132.3-175.8-72.3-101.4124.200111.7
24P33.7Very low35.7Very low114 Ų114134.9 Ų134.974%0.7476%0.76SS**  trans-83.8115.5165.230.8-25.1000109.1A26P24-A26 PolarHBondContact O-N 3.5Å
25F30.7Very low36.2Very low194 Ų194132 Ų13285%0.85175%0.747SS**  trans-61.7105.8170.7-102.1-90.3000110.3L27F25-L27 HydrophobicContact CD1-CD1 4.38Å; F25-L27 PolarHBondContact O-N 2.99Å
26A32Very low36.4Very low97 Ų97125.6 Ų125.680%0.80273%0.725SS**  trans-79108.1160.900000109.1P24P24-A26 PolarHBondContact O-N 3.5Å
27L33.6Very low36.8Very low153 Ų153123.8 Ų123.880%0.80171%0.712SS**  trans-126109.7157.2-79.8160000104.1F25F25-L27 HydrophobicContact CD1-CD1 4.38Å; F25-L27 PolarHBondContact O-N 2.99Å
28G32.8Very low37Very low55 Ų55119.8 Ų119.857%0.56769%0.691SS**  96.683.461.800000108
29S29.7Very low37.3Very low122 Ų122118.2 Ų118.285%0.85367%0.674SS**  trans50.482.4149.1-38.30000118
30V40.2Very low37.3Very low100 Ų100117 Ų11761%0.60665%0.654SS**  trans-122.6100167.5-158.20000110.9V32 L33V30-V32 HydrophobicContact CG1-CB 3.6Å; V30-V32 HydrophobicContact CG1-CG2 3.56Å; V30-V32 PolarHBondContact O-N 3.48Å; V30-L33 PolarHBondContact O-N 3.15Å
31P45.5Very low37.3Very low102 Ų102114.1 Ų114.166%0.66263%0.634SS**Hα-helixtrans-58.3-12.6173.1-19.130.1000113.6L33 Q34 Q35P31-L33 PolarHBondContact O-N 2.99Å; P31-Q34 PolarHBondContact O-N 2.97Å; P31-Q35 PolarHBondContact O-N 3.31Å
32V41.9Very low37.8Very low98 Ų98115.5 Ų115.559%0.59463%0.629SS**Hα-helixtrans-64.9-36.6-177.8-177.90000112.2V30 Q34 Q35 F36V30-V32 HydrophobicContact CG1-CB 3.6Å; V30-V32 HydrophobicContact CG1-CG2 3.56Å; V30-V32 PolarHBondContact O-N 3.48Å; V32-Q34 VanDerWaalsContact C-N 3.34Å; V32-Q34 PolarHBondContact O-N 3.45Å; V32-Q35 PolarHBondContact O-N 3.43Å; V32-F36 WeakPolarHBondContact O-CB 3.38Å; V32-F36 PolarHBondContact O-N 3.04Å
33L36.7Very low37.7Very low130 Ų130109.3 Ų109.368%0.68161%0.611SS**Hα-helixtrans-68.2-37.3178.3-154.187.9000111.1V30 P31 F36 V37V30-L33 PolarHBondContact O-N 3.15Å; P31-L33 PolarHBondContact O-N 2.99Å; L33-F36 PolarHBondContact O-N 2.81Å; L33-V37 WeakPolarHBondContact O-CB 3.49Å; L33-V37 WeakPolarHBondContact O-CG2 3.15Å; L33-V37 PolarHBondContact O-N 3.42Å
34Q42Very low38.2Very low142 Ų142108.1 Ų108.166%0.66461%0.605SS**Hα-helixtrans-73.3-36.8178.2-167.8156.6-9.200111.9P31 V32 Q38P31-Q34 PolarHBondContact O-N 2.97Å; V32-Q34 VanDerWaalsContact C-N 3.34Å; V32-Q34 PolarHBondContact O-N 3.45Å; Q34-Q38 WeakPolarHBondContact O-CB 3.21Å; Q34-Q38 WeakPolarHBondContact O-CG 3.41Å; Q34-Q38 PolarHBondContact O-N 3.48Å
35Q46.2Very low38.3Very low107 Ų107111.2 Ų111.250%0.561%0.607SS.*Hα-helixtrans-67.1-37.1171.7-157.370.729.300111.7P31 V32 Q38 N39P31-Q35 PolarHBondContact O-N 3.31Å; V32-Q35 PolarHBondContact O-N 3.43Å; Q35-Q38 PolarHBondContact O-N 3.29Å; Q35-N39 PolarHBondContact O-N 3.05Å
36F41.1Very low38.4Very low101 Ų101107.5 Ų107.544%0.44360%0.596SS.*Hα-helixtrans-67.1-42.7175.6-173.4-105.6000111.8V32 L33 Q38 N39 L40V32-F36 WeakPolarHBondContact O-CB 3.38Å; V32-F36 PolarHBondContact O-N 3.04Å; L33-F36 PolarHBondContact O-N 2.81Å; F36-Q38 VanDerWaalsContact C-N 3.33Å; F36-Q38 PolarHBondContact O-N 2.97Å; F36-N39 PolarHBondContact O-N 3.03Å; F36-L40 HydrophobicContact CD1-CD1 3.62Å; F36-L40 HydrophobicContact CD1-CG 4.39Å; F36-L40 HydrophobicContact CE1-CD1 3.5Å; F36-L40 HydrophobicContact CE1-CG 4.23Å; F36-L40 HydrophobicContact CG-CD1 4.47Å; F36-L40 HydrophobicContact CZ-CD1 4.28Å; F36-L40 WeakPolarHBondContact O-CB 3.45Å; F36-L40 WeakPolarHBondContact O-CG 3.36Å; F36-L40 PolarHBondContact O-N 3.4Å
37V44.7Very low38.4Very low73 Ų73106.8 Ų106.844%0.44259%0.585SS.*Hα-helixtrans-64.4-35.51731720000111.6L33 L40 N41L33-V37 WeakPolarHBondContact O-CB 3.49Å; L33-V37 WeakPolarHBondContact O-CG2 3.15Å; L33-V37 PolarHBondContact O-N 3.42Å; V37-L40 PolarHBondContact O-N 3.29Å; V37-N41 PolarHBondContact O-N 3.44Å; V37-N41 PolarHBondContact O-ND2 3Å
38Q41.5Very low38.4Very low102 Ų102104.7 Ų104.748%0.47758%0.581SS.*Hα-helixtrans-68.4-38.7173.3-78.1178-7.900112.8Q34 Q35 F36 N41 Q42Q34-Q38 WeakPolarHBondContact O-CB 3.21Å; Q34-Q38 WeakPolarHBondContact O-CG 3.41Å; Q34-Q38 PolarHBondContact O-N 3.48Å; Q35-Q38 PolarHBondContact O-N 3.29Å; F36-Q38 VanDerWaalsContact C-N 3.33Å; F36-Q38 PolarHBondContact O-N 2.97Å; Q38-N41 WeakPolarHBondContact O-CB 3.46Å; Q38-N41 PolarHBondContact O-N 3.47Å; Q38-Q42 PolarHBondContact O-N 2.91Å
39N40.9Very low38.9Very low83 Ų83106.6 Ų106.644%0.44458%0.576SS.*Hα-helixtrans-69.2-35174.1-71.2-16.4000112Q35 F36 N41 Q42 C43Q35-N39 PolarHBondContact O-N 3.05Å; F36-N39 PolarHBondContact O-N 3.03Å; N39-N41 VanDerWaalsContact C-N 3.32Å; N39-N41 PolarHBondContact O-N 3.38Å; N39-Q42 WeakPolarHBondContact O-CB 3.45Å; N39-Q42 PolarHBondContact O-N 3.39Å; N39-Q42 VanDerWaalsContact O-N 3.13Å; N39-C43 PolarHBondContact O-N 3.32Å
40L36.2Very low39.3Very low64 Ų64104.1 Ų104.134%0.33556%0.557SS.*Hα-helixtrans-63-35.9170.6-78.7164.8000112.3F36 V37 Q42 C43 Q44F36-L40 HydrophobicContact CD1-CD1 3.62Å; F36-L40 HydrophobicContact CD1-CG 4.39Å; F36-L40 HydrophobicContact CE1-CD1 3.5Å; F36-L40 HydrophobicContact CE1-CG 4.23Å; F36-L40 HydrophobicContact CG-CD1 4.47Å; F36-L40 HydrophobicContact CZ-CD1 4.28Å; F36-L40 WeakPolarHBondContact O-CB 3.45Å; F36-L40 WeakPolarHBondContact O-CG 3.36Å; F36-L40 PolarHBondContact O-N 3.4Å; V37-L40 PolarHBondContact O-N 3.29Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 3.39Å; L40-C43 WeakPolarHBondContact O-CB 3.44Å; L40-C43 PolarHBondContact O-N 3.34Å; L40-C43 VanDerWaalsContact O-N 3.15Å; L40-Q44 PolarHBondContact O-N 2.92Å
41N37.6Very low39.2Very low79 Ų79102.6 Ų102.642%0.42255%0.554SS.*Hα-helixtrans-67-25.4173.7-79.8-48.7000112.9V37 Q38 N39 Q44V37-N41 PolarHBondContact O-N 3.44Å; V37-N41 PolarHBondContact O-ND2 3Å; Q38-N41 WeakPolarHBondContact O-CB 3.46Å; Q38-N41 PolarHBondContact O-N 3.47Å; N39-N41 VanDerWaalsContact C-N 3.32Å; N39-N41 PolarHBondContact O-N 3.38Å; N41-Q44 PolarHBondContact O-N 3.38Å; N41-Q44 PolarHBondContact OD1-OE1 2.96Å; N41-Q44 VanDerWaalsContact OD1-OE1 3.11Å
42Q41.2Very low39.4Very low132 Ų132104.2 Ų104.262%0.61755%0.547SS*.Hα-helixtrans-73.9-34.8169.8-106169.50.800111.9Q38 N39 L40 Q44 K45Q38-Q42 PolarHBondContact O-N 2.91Å; N39-Q42 WeakPolarHBondContact O-CB 3.45Å; N39-Q42 PolarHBondContact O-N 3.39Å; N39-Q42 VanDerWaalsContact O-N 3.13Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 3.39Å; Q42-Q44 VanDerWaalsContact C-N 3.3Å; Q42-Q44 PolarHBondContact O-N 3.12Å; Q42-K45 PolarHBondContact O-N 3.3Å
43C33.9Very low39.6Very low83 Ų83100.4 Ų100.456%0.56152%0.523SS*.Hα-helixtrans-67.6-26.4170.1-70.60000113.4N39 L40 K45 L46N39-C43 PolarHBondContact O-N 3.32Å; L40-C43 WeakPolarHBondContact O-CB 3.44Å; L40-C43 PolarHBondContact O-N 3.34Å; L40-C43 VanDerWaalsContact O-N 3.15Å; C43-K45 PolarHBondContact O-N 3.26Å; C43-L46 PolarHBondContact O-N 2.86Å
44Q39.2Very low40Very low139 Ų13996.5 Ų96.565%0.6550%0.503SS*.THydrogen-bonded Turntrans-68.3-12.4174.2-75.8-177.6-2.100114.2L40 N41 Q42 L46L40-Q44 PolarHBondContact O-N 2.92Å; N41-Q44 PolarHBondContact O-N 3.38Å; N41-Q44 PolarHBondContact OD1-OE1 2.96Å; N41-Q44 VanDerWaalsContact OD1-OE1 3.11Å; Q42-Q44 VanDerWaalsContact C-N 3.3Å; Q42-Q44 PolarHBondContact O-N 3.12Å; Q44-L46 PolarHBondContact O-N 3.27Å
45K37.4Very low40.2Very low180 Ų18091.8 Ų91.878%0.78349%0.485SS*.THydrogen-bonded Turntrans-77.7-3.5173.7-75.8-175.8177.8178.80114Q42 C43 S47Q42-K45 PolarHBondContact O-N 3.3Å; C43-K45 PolarHBondContact O-N 3.26Å; K45-S47 PolarHBondContact O-N 3.48Å
46L32.7Very low40.2Very low116 Ų11688.9 Ų88.961%0.60747%0.471SS*.SBendtrans-91.178.1158.2-76.498.1000109.4C43 Q44 C48C43-L46 PolarHBondContact O-N 2.86Å; Q44-L46 PolarHBondContact O-N 3.27Å; L46-C48 PolarHBondContact O-N 3.04Å
47S31.6Very low40.4Very low82 Ų8284.4 Ų84.457%0.57345%0.452SS*.THydrogen-bonded Turntrans-51.7122.2167.955.50000110K45K45-S47 PolarHBondContact O-N 3.48Å
48C33.7Very low40.3Very low108 Ų10891.4 Ų91.473%0.7347%0.47SS*.THydrogen-bonded Turntrans116.6-0.2159.1-61.10000120.4L46L46-C48 PolarHBondContact O-N 3.04Å
49Q43.8Very low40.4Very low95 Ų9592.4 Ų92.444%0.44448%0.475SS..SBendtrans-100.6-26.7-178.6-66.4-165.4-16.100118.4A51Q49-A51 PolarHBondContact O-N 3.11Å
50P37.2Very low40.7Very low71 Ų7189.6 Ų89.646%0.46146%0.462SS..THydrogen-bonded Turntrans-75.2-20.1-179.3-17.930.9000115.5R52 Y389P50-R52 VanDerWaalsContact C-N 3.28Å; P50-R52 PolarHBondContact O-N 2.84Å; P50-Y389 PolarHBondContact O-OH 2.92Å
51A38.4Very low41.4Very low67 Ų6789.6 Ų89.655%0.55446%0.462SS*.Hα-helixtrans-69.6-21.5-170.500000114Q49 S55Q49-A51 PolarHBondContact O-N 3.11Å; A51-S55 VanDerWaalsContact O-CB 3.27Å; A51-S55 WeakPolarHBondContact O-CB 3.3Å; A51-S55 PolarHBondContact O-N 3.46Å; A51-S55 PolarHBondContact O-OG 3.48Å
52R49Very low42.1Very low137 Ų13789.9 Ų89.952%0.51746%0.464SS..Hα-helixtrans-83.2-39-175.5-74.8-171.8169.5174.3-3.5114.4P50 L54 S55 H56P50-R52 VanDerWaalsContact C-N 3.28Å; P50-R52 PolarHBondContact O-N 2.84Å; R52-L54 VanDerWaalsContact C-N 3.26Å; R52-L54 PolarHBondContact O-N 3.45Å; R52-S55 WeakPolarHBondContact CA-OG 3.45Å; R52-S55 PolarHBondContact O-N 2.99Å; R52-S55 PolarHBondContact O-OG 3.31Å; R52-H56 PolarHBondContact O-N 3.2Å
53F46.4Very low43.6Very low17 Ų1789.1 Ų89.18%0.07546%0.464CS..Hα-helixtrans-63.2-39.9172.3-175.3-94.9000110.4L57 M322 Y389F53-L57 HydrophobicContact CD1-CD1 3.59Å; F53-L57 HydrophobicContact CE1-CD1 3.29Å; F53-L57 HydrophobicContact CG-CD1 4.44Å; F53-L57 HydrophobicContact CZ-CD1 3.87Å; F53-L57 PolarHBondContact O-N 3.24Å; F53-M322 HydrophobicContact CB-CE 4.13Å; F53-M322 HydrophobicContact CD2-CE 3.32Å; F53-M322 HydrophobicContact CE2-CE 4Å; F53-M322 HydrophobicContact CG-CE 4.04Å; F53-Y389 AromaticContact CD1-CD1 3.91Å; F53-Y389 HydrophobicContact CD1-CD1 3.91Å; F53-Y389 AromaticContact CD1-CE1 3.31Å; F53-Y389 HydrophobicContact CD1-CE1 3.31Å; F53-Y389 AromaticContact CE1-CD1 3.72Å; F53-Y389 HydrophobicContact CE1-CD1 3.72Å; F53-Y389 AromaticContact CE1-CE1 3.6Å; F53-Y389 HydrophobicContact CE1-CE1 3.6Å; F53-Y389 HydrophobicContact CG-CE1 4.13Å; F53-Y389 HydrophobicContact CZ-CD1 4.49Å
54L46.3Very low46.2Very low49 Ų4989 Ų8926%0.25746%0.457SS..Hα-helixtrans-73.6-34.3176.5-69176.7000113.4R52 H56 L57 R58 C393 A398R52-L54 VanDerWaalsContact C-N 3.26Å; R52-L54 PolarHBondContact O-N 3.45Å; L54-H56 VanDerWaalsContact C-N 3.33Å; L54-H56 PolarHBondContact O-N 3.49Å; L54-L57 PolarHBondContact O-N 2.93Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 3.18Å; L54-C393 HydrophobicContact CD2-CB 4.11Å; L54-A398 HydrophobicContact CD2-CB 4.17Å
55S44.3Very low48.8Very low42 Ų4282.5 Ų82.529%0.29443%0.427SS..Hα-helixtrans-66-37.9177.262.10000111.3A51 R52 R58 E59A51-S55 VanDerWaalsContact O-CB 3.27Å; A51-S55 WeakPolarHBondContact O-CB 3.3Å; A51-S55 PolarHBondContact O-N 3.46Å; A51-S55 PolarHBondContact O-OG 3.48Å; R52-S55 WeakPolarHBondContact CA-OG 3.45Å; R52-S55 PolarHBondContact O-N 2.99Å; R52-S55 PolarHBondContact O-OG 3.31Å; S55-R58 CarbonylContact O-C 3.56Å; S55-R58 PolarHBondContact O-N 2.92Å; S55-E59 WeakPolarHBondContact O-CA 3.46Å; S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 WeakPolarHBondContact O-CG 3.08Å; S55-E59 PolarHBondContact O-N 3.41Å
56H47.3Very low51.4Low46 Ų4676.3 Ų76.321%0.21340%0.404CS..Hα-helixtrans-73.1-34.2177.1-89.2-72.1000113.8R52 L54 R58 E59 S60 S497R52-H56 PolarHBondContact O-N 3.2Å; L54-H56 VanDerWaalsContact C-N 3.33Å; L54-H56 PolarHBondContact O-N 3.49Å; H56-R58 VanDerWaalsContact C-N 3.33Å; H56-E59 CarbonylContact O-C 3.43Å; H56-S60 PolarHBondContact O-N 3.04Å; H56-S60 VanDerWaalsContact O-N 3.13Å; H56-S497 PolarHBondContact CD2-O 3.37Å
57L45.5Very low54.4Low8 Ų870.8 Ų70.84%0.04238%0.375CS..Hα-helixtrans-72.9-26171-71.6166.2000112.8F53 L54 S60 L399 Q403 V407F53-L57 HydrophobicContact CD1-CD1 3.59Å; F53-L57 HydrophobicContact CE1-CD1 3.29Å; F53-L57 HydrophobicContact CG-CD1 4.44Å; F53-L57 HydrophobicContact CZ-CD1 3.87Å; F53-L57 PolarHBondContact O-N 3.24Å; L54-L57 PolarHBondContact O-N 2.93Å; L57-S60 PolarHBondContact O-OG 3Å; L57-L399 HydrophobicContact CB-CD2 3.71Å; L57-L399 HydrophobicContact CD1-CD2 3.86Å; L57-L399 HydrophobicContact CD2-CD2 4.5Å; L57-L399 HydrophobicContact CG-CD2 4.24Å; L57-Q403 PolarHBondContact O-NE2 2.82Å; L57-V407 HydrophobicContact CD2-CG2 4.41Å
58R42.9Very low57.5Low219 Ų21967.2 Ų67.283%0.82635%0.35SS*.Hα-helixtrans-86-23.9175.5-166.4177.4-175.1-166.32.1112.8L54 S55 H56L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 3.18Å; S55-R58 CarbonylContact O-C 3.56Å; S55-R58 PolarHBondContact O-N 2.92Å; H56-R58 VanDerWaalsContact C-N 3.33Å
59E43.8Very low60.2Low124 Ų12464.2 Ų64.258%0.57934%0.338SS*.SBendtrans-100.724.7171.7-71.2173.8151.800111.6S55 H56 N61S55-E59 WeakPolarHBondContact O-CA 3.46Å; S55-E59 WeakPolarHBondContact O-CB 3.42Å; S55-E59 WeakPolarHBondContact O-CG 3.08Å; S55-E59 PolarHBondContact O-N 3.41Å; H56-E59 CarbonylContact O-C 3.43Å; E59-N61 PolarHBondContact O-N 3Å
60S46.1Very low62.6Low23 Ų2360.9 Ų60.916%0.16132%0.323CS..  trans-41.6128.3164.6-65.60000107.3H56 L57 N62 D63 Q403H56-S60 PolarHBondContact O-N 3.04Å; H56-S60 VanDerWaalsContact O-N 3.13Å; L57-S60 PolarHBondContact O-OG 3Å; S60-N62 PolarHBondContact O-N 2.88Å; S60-D63 PolarHBondContact O-N 3.49Å; S60-Q403 PolarHBondContact OG-NE2 3.21Å
61N50.5Low65.2Low64 Ų6465 Ų6534%0.34233%0.334SS..G310 helixtrans-49.74169-87.9-62.7000113.3E59 D63 L64 T80E59-N61 PolarHBondContact O-N 3Å; N61-D63 PolarHBondContact O-N 3Å; N61-L64 CarbonylContact O-C 3.47Å; N61-L64 PolarHBondContact O-N 2.9Å; N61-T80 WeakPolarHBondContact O-CG2 3.48Å
62N54Low67.8Low85 Ų8562.4 Ų62.446%0.45531%0.312SS..G310 helixtrans-52.2-23.7166.5-74.2-11.2000114.7S60 A72 T80S60-N62 PolarHBondContact O-N 2.88Å; N62-A72 WeakPolarHBondContact O-CB 3.2Å; N62-T80 WeakPolarHBondContact O-CG2 3.41Å; N62-T80 PolarHBondContact OD1-OG1 3.47Å
63D72.2Confident69.8Low117 Ų11758.7 Ų58.763%0.62631%0.307SS*.G310 helixtrans-90.3-12.7172.9-81.3-10.4000114.4S60 N61 K71 A72S60-D63 PolarHBondContact O-N 3.49Å; N61-D63 PolarHBondContact O-N 3Å; D63-K71 CarbonylContact O-C 3.55Å; D63-K71 WeakPolarHBondContact O-CA 3.4Å; D63-A72 PolarHBondContact O-N 3.21Å
64L87.8Confident71.9Confident80 Ų8059.2 Ų59.242%0.41932%0.318SS..BIsolated β-bridgetrans-124.5141-177.8-63.2179.4000112.3N61 V66 D70N61-L64 CarbonylContact O-C 3.47Å; N61-L64 PolarHBondContact O-N 2.9Å; L64-V66 PolarHBondContact O-N 3.26Å; L64-V66 VanDerWaalsContact O-N 3.14Å; L64-D70 CarbonylContact C-O 3.57Å; L64-D70 WeakPolarHBondContact CA-O 3.35Å
65C94.6Very high74Confident2 Ų265 Ų651%0.01434%0.336CS..  trans-69.9113.1179.9176.40000109.9V67 C68 G69 D70 C82C65-V67 PolarHBondContact O-N 3.37Å; C65-C68 PolarHBondContact O-N 2.81Å; C65-C68 VanDerWaalsContact SG-SG 3.6Å; C65-G69 WeakPolarHBondContact O-CA 3.33Å; C65-G69 PolarHBondContact O-N 2.99Å; C65-D70 WeakPolarHBondContact CB-O 3.38Å; C65-D70 PolarHBondContact N-O 3.3Å; C65-C82 HydrophobicContact CB-CB 3.77Å; C65-C82 VanDerWaalsContact CB-N 3.35Å; C65-C82 PolarHBondContact SG-N 3Å
66V91.4Very high76.3Confident50 Ų5064.3 Ų64.330%0.30333%0.328SS..THydrogen-bonded Turntrans-55.7-22180-58.10000113.3L64 A79 T80 M128L64-V66 PolarHBondContact O-N 3.26Å; L64-V66 VanDerWaalsContact O-N 3.14Å; V66-A79 HydrophobicContact CG2-CB 4.24Å; V66-T80 WeakPolarHBondContact CG2-O 3.32Å; V66-T80 PolarHBondContact N-O 3.13Å; V66-M128 HydrophobicContact CB-CB 4.42Å; V66-M128 HydrophobicContact CG2-CB 3.62Å; V66-M128 HydrophobicContact CG2-CG 4.16Å
67V95.4Very high78.6Confident0 Ų064 Ų640%033%0.325CS..THydrogen-bonded Turntrans-79.6-46.1178.3-177.50000112.4C65 C85 V109 K124 M128 M130C65-V67 PolarHBondContact O-N 3.37Å; V67-C85 HydrophobicContact CB-CB 4.31Å; V67-C85 HydrophobicContact CG2-CB 4.46Å; V67-V109 HydrophobicContact CG1-CG1 4.11Å; V67-K124 HydrophobicContact CG1-CB 4.4Å; V67-K124 HydrophobicContact CG1-CD 4.44Å; V67-K124 HydrophobicContact CG1-CG 4.35Å; V67-K124 VanDerWaalsContact O-CD 3.23Å; V67-K124 WeakPolarHBondContact O-CD 3.26Å; V67-K124 WeakPolarHBondContact O-CE 3.38Å; V67-K124 PolarHBondContact O-NZ 3.45Å; V67-M128 HydrophobicContact CG2-CB 4.44Å; V67-M130 HydrophobicContact CG2-CE 4.21Å
68C96.4Very high80.6Confident7 Ų765.1 Ų65.15%0.04734%0.339CS..THydrogen-bonded Turntrans-129.2-5.7-168.770.70000115.6C65 D70 C82 V109 T110 K111 R114C65-C68 PolarHBondContact O-N 2.81Å; C65-C68 VanDerWaalsContact SG-SG 3.6Å; C68-D70 VanDerWaalsContact C-N 3.28Å; C68-D70 PolarHBondContact O-N 3.49Å; C68-D70 VanDerWaalsContact SG-CB 3.56Å; C68-C82 VanDerWaalsContact SG-SG 3.61Å; C68-V109 HydrophobicContact CB-CG1 4.12Å; C68-T110 CarbonylContact O-C 3.54Å; C68-T110 VanDerWaalsContact O-C 3.28Å; C68-T110 WeakPolarHBondContact O-CA 3.42Å; C68-K111 PolarHBondContact O-N 3.18Å; C68-R114 HydrophobicContact CB-CB 4.27Å; C68-R114 PolarHBondContact SG-NH1 3.25Å
69G91.4Very high82.8Confident45 Ų4555 Ų5546%0.46430%0.303SS..SBendtrans73.211.7-177.600000115.1C65C65-G69 WeakPolarHBondContact O-CA 3.33Å; C65-G69 PolarHBondContact O-N 2.99Å
70D94.2Very high85Confident25 Ų2550 Ų5013%0.13428%0.28CS..SBendtrans-81164172.4-164.815.1000111.2L64 C65 C68 A72 C82 K111 R114L64-D70 CarbonylContact C-O 3.57Å; L64-D70 WeakPolarHBondContact CA-O 3.35Å; C65-D70 WeakPolarHBondContact CB-O 3.38Å; C65-D70 PolarHBondContact N-O 3.3Å; C68-D70 VanDerWaalsContact C-N 3.28Å; C68-D70 PolarHBondContact O-N 3.49Å; C68-D70 VanDerWaalsContact SG-CB 3.56Å; D70-A72 PolarHBondContact O-N 3.42Å; D70-C82 HydrophobicContact CB-CB 4.22Å; D70-K111 HydrophobicContact CB-CB 4.2Å; D70-K111 HydrophobicContact CB-CD 4.18Å; D70-K111 HydrophobicContact CB-CG 3.99Å; D70-K111 WeakPolarHBondContact OD1-CD 3.45Å; D70-K111 WeakPolarHBondContact OD1-CE 3.45Å; D70-K111 IonicContact OD1-NZ 2.81Å; D70-K111 PolarHBondContact OD1-NZ 2.62Å; D70-R114 IonicContact OD2-CZ 2.67Å; D70-R114 IonicContact OD2-NH1 3.71Å; D70-R114 PolarHBondContact OD2-NH1 2.87Å; D70-R114 IonicContact OD2-NH2 2.84Å; D70-R114 PolarHBondContact OD2-NH2 2.87Å
71K91.9Very high87.3Confident158 Ų15848.9 Ų48.969%0.68727%0.272SS*.BIsolated β-bridgetrans-56.7122.6179.9-167.9-178.1-179.6-168.80111.1D63 C82D63-K71 CarbonylContact O-C 3.55Å; D63-K71 WeakPolarHBondContact O-CA 3.4Å; K71-C82 WeakPolarHBondContact O-CB 3.49Å
72A92.1Very high89.5Confident12 Ų1245.9 Ų45.910%0.09926%0.257CS..PPolyproline II helixtrans-71.6149.9176.200000111N62 D63 D70 T80N62-A72 WeakPolarHBondContact O-CB 3.2Å; D63-A72 PolarHBondContact O-N 3.21Å; D70-A72 PolarHBondContact O-N 3.42Å; A72-T80 HydrophobicContact CB-CG2 3.5Å
73S92.3Very high91.5Very high59 Ų5946.7 Ų46.741%0.41326%0.258SS..  trans-106.85.5171.553.90000112.3H76 S81 E83S73-H76 PolarHBondContact OG-NE2 3.29Å; S73-S81 PolarHBondContact N-O 3.46Å; S73-S81 PolarHBondContact OG-O 3.41Å; S73-E83 WeakPolarHBondContact CB-OE1 3.36Å; S73-E83 PolarHBondContact OG-OE1 3.46Å
74G89.1Confident92.7Very high29 Ų2942.4 Ų42.430%0.29924%0.241SC..SBendtrans123.7-166.9-175.300000113H76 T80 S81G74-H76 PolarHBondContact O-CD2 2.84Å; G74-H76 VanDerWaalsContact O-CD2 3.31Å; G74-T80 WeakPolarHBondContact O-CA 3.34Å; G74-S81 PolarHBondContact O-N 2.78Å
75R90.1Very high93.2Very high169 Ų16938.6 Ų38.664%0.63822%0.221SC*.EExtended strand (participates in β ladder)trans-85.4122.7-179.2-156.1169.8-173.6162.90.7110.4G78R75-G78 PolarHBondContact NE-O 3.2Å; R75-G78 PolarHBondContact NH2-O 3.47Å
76H94.4Very high93.4Very high29 Ų2941 Ų4113%0.13423%0.231CC..EExtended strand (participates in β ladder)trans-129.5125.8177.9-54.9-74.3000109.9S73 G74 G78 A79 S81 E83 K86S73-H76 PolarHBondContact OG-NE2 3.29Å; G74-H76 PolarHBondContact O-CD2 2.84Å; G74-H76 VanDerWaalsContact O-CD2 3.31Å; H76-G78 PolarHBondContact O-N 3.15Å; H76-A79 PolarHBondContact N-O 3.41Å; H76-A79 PolarHBondContact O-N 3.46Å; H76-A79 VanDerWaalsContact O-O 3.13Å; H76-S81 WeakPolarHBondContact CB-OG 3.32Å; H76-S81 PolarHBondContact CD2-O 3.01Å; H76-S81 PolarHBondContact CD2-OG 2.84Å; H76-E83 IonicContact CE1-OE1 3.56Å; H76-E83 IonicContact NE2-OE1 3.48Å; H76-K86 HydrophobicContact CB-CB 4.01Å; H76-K86 HydrophobicContact CB-CD 4.4Å; H76-K86 HydrophobicContact CB-CG 3.86Å; H76-K86 WeakPolarHBondContact ND1-CD 3.26Å; H76-K86 VanDerWaalsContact ND1-CE 3.26Å; H76-K86 WeakPolarHBondContact ND1-CE 3.48Å
77Y94.8Very high93.6Very high38 Ų3839.2 Ų39.215%0.14922%0.223CC..THydrogen-bonded Turntrans55.633.7-179.8-46.6-65.3000113.6K86 F89 K90 M130 R131 V135Y77-K86 HydrophobicContact CE2-CG 3.94Å; Y77-F89 HydrophobicContact CD2-CB 4.46Å; Y77-F89 AromaticContact CD2-CD1 3.56Å; Y77-F89 HydrophobicContact CD2-CD1 3.56Å; Y77-F89 HydrophobicContact CD2-CE1 4.26Å; Y77-F89 HydrophobicContact CD2-CG 4.37Å; Y77-F89 HydrophobicContact CE2-CD1 4.16Å; Y77-F89 AromaticContact CG-CD1 3.81Å; Y77-F89 HydrophobicContact CG-CD1 3.81Å; Y77-F89 HydrophobicContact CG-CE1 4.04Å; Y77-K90 HydrophobicContact CE2-CB 4.16Å; Y77-K90 WeakPolarHBondContact OH-CB 3.04Å; Y77-K90 WeakPolarHBondContact OH-CD 3.44Å; Y77-K90 VanDerWaalsContact OH-CG 3.29Å; Y77-K90 WeakPolarHBondContact OH-CG 3.4Å; Y77-M130 CarbonylContact O-C 3.51Å; Y77-M130 VanDerWaalsContact O-CA 3.29Å; Y77-M130 WeakPolarHBondContact O-CA 3.31Å; Y77-R131 PolarHBondContact O-N 3.25Å; Y77-V135 HydrophobicContact CD1-CG2 3.7Å; Y77-V135 HydrophobicContact CE1-CB 4.38Å; Y77-V135 HydrophobicContact CE1-CG2 3.72Å; Y77-V135 HydrophobicContact CG-CG2 4.27Å
78G87.9Confident93.8Very high32 Ų3239.5 Ų39.533%0.3322%0.224SC..THydrogen-bonded Turntrans100.3-15.4177.900000115.7R75 H76R75-G78 PolarHBondContact NE-O 3.2Å; R75-G78 PolarHBondContact NH2-O 3.47Å; H76-G78 PolarHBondContact O-N 3.15Å
79A88.9Confident93.8Very high8 Ų839.2 Ų39.27%0.06622%0.222CC..EExtended strand (participates in β ladder)trans-130.7146.3-176.600000113.7V66 H76 S81 M128 M130V66-A79 HydrophobicContact CG2-CB 4.24Å; H76-A79 PolarHBondContact N-O 3.41Å; H76-A79 PolarHBondContact O-N 3.46Å; H76-A79 VanDerWaalsContact O-O 3.13Å; A79-S81 PolarHBondContact O-N 3.5Å; A79-M128 VanDerWaalsContact CB-O 3.29Å; A79-M128 WeakPolarHBondContact CB-O 3.3Å; A79-M130 HydrophobicContact CB-CG 3.98Å
80T89.2Confident94.1Very high17 Ų1740.6 Ų40.610%0.10422%0.216CC..EExtended strand (participates in β ladder)trans-64.1116.5174.2-59.10000110.6N61 N62 V66 A72 G74N61-T80 WeakPolarHBondContact O-CG2 3.48Å; N62-T80 WeakPolarHBondContact O-CG2 3.41Å; N62-T80 PolarHBondContact OD1-OG1 3.47Å; V66-T80 WeakPolarHBondContact CG2-O 3.32Å; V66-T80 PolarHBondContact N-O 3.13Å; A72-T80 HydrophobicContact CB-CG2 3.5Å; G74-T80 WeakPolarHBondContact O-CA 3.34Å
81S93.7Very high94.2Very high0 Ų045.7 Ų45.70%023%0.233CC..  trans-146.9161.7-175.261.60000114S73 G74 H76 A79 M130S73-S81 PolarHBondContact N-O 3.46Å; S73-S81 PolarHBondContact OG-O 3.41Å; G74-S81 PolarHBondContact O-N 2.78Å; H76-S81 WeakPolarHBondContact CB-OG 3.32Å; H76-S81 PolarHBondContact CD2-O 3.01Å; H76-S81 PolarHBondContact CD2-OG 2.84Å; A79-S81 PolarHBondContact O-N 3.5Å; S81-M130 WeakPolarHBondContact OG-CE 3.43Å
82C97.3Very high94.4Very high2 Ų238.2 Ų38.21%0.01420%0.201CC..  trans-82.3160.8172.468.10000110.8C65 C68 D70 K71 G84 C85 K86 R114C65-C82 HydrophobicContact CB-CB 3.77Å; C65-C82 VanDerWaalsContact CB-N 3.35Å; C65-C82 PolarHBondContact SG-N 3Å; C68-C82 VanDerWaalsContact SG-SG 3.61Å; D70-C82 HydrophobicContact CB-CB 4.22Å; K71-C82 WeakPolarHBondContact O-CB 3.49Å; C82-G84 PolarHBondContact O-N 3.5Å; C82-G84 VanDerWaalsContact O-N 3.07Å; C82-C85 PolarHBondContact O-N 3.44Å; C82-C85 PolarHBondContact SG-N 2.94Å; C82-K86 PolarHBondContact O-N 3.43Å; C82-R114 PolarHBondContact SG-NH1 3.23Å
83E97Very high94.6Very high102 Ų10239.7 Ų39.748%0.47721%0.207SC..Hα-helixtrans-53.6-33175.7-71.6-56.511900113S73 H76 K86 G87S73-E83 WeakPolarHBondContact CB-OE1 3.36Å; S73-E83 PolarHBondContact OG-OE1 3.46Å; H76-E83 IonicContact CE1-OE1 3.56Å; H76-E83 IonicContact NE2-OE1 3.48Å; E83-K86 VanDerWaalsContact CD-NZ 3.28Å; E83-K86 WeakPolarHBondContact OE1-CD 3.39Å; E83-K86 IonicContact OE1-NZ 3.05Å; E83-K86 PolarHBondContact OE1-NZ 3.32Å; E83-K86 WeakPolarHBondContact OE2-CD 3.49Å; E83-K86 IonicContact OE2-NZ 3.74Å; E83-K86 PolarHBondContact OE2-NZ 2.86Å; E83-G87 PolarHBondContact O-N 3.3Å
84G97.4Very high94.6Very high26 Ų2641.8 Ų41.827%0.26821%0.205SC..Hα-helixtrans-63.2-44.1177.300000113.3C82 F88 R121C82-G84 PolarHBondContact O-N 3.5Å; C82-G84 VanDerWaalsContact O-N 3.07Å; G84-F88 VanDerWaalsContact O-CB 3.25Å; G84-F88 WeakPolarHBondContact O-CB 3.11Å; G84-F88 PolarHBondContact O-N 3.5Å; G84-F88 VanDerWaalsContact O-N 3.15Å; G84-R121 VanDerWaalsContact C-NH2 3.26Å; G84-R121 PolarHBondContact O-NH2 2.78Å
85C98.2Very high94.7Very high0 Ų047.8 Ų47.80%022%0.223CC..Hα-helixtrans-79.7-38.2-179.9-70.60000112V67 C82 G87 F88 F89 M130V67-C85 HydrophobicContact CB-CB 4.31Å; V67-C85 HydrophobicContact CG2-CB 4.46Å; C82-C85 PolarHBondContact O-N 3.44Å; C82-C85 PolarHBondContact SG-N 2.94Å; C85-G87 PolarHBondContact O-N 2.83Å; C85-F88 PolarHBondContact O-N 2.86Å; C85-F89 WeakPolarHBondContact O-CB 3.29Å; C85-F89 PolarHBondContact O-N 3.15Å; C85-M130 HydrophobicContact CB-CE 4.37Å
86K97.4Very high94.7Very high52 Ų5248.8 Ų48.823%0.22623%0.232CC..Hα-helixtrans-52.1-55168.9172.6-161.9-171.3-179.50111.8H76 Y77 C82 E83 F88 F89 K90H76-K86 HydrophobicContact CB-CB 4.01Å; H76-K86 HydrophobicContact CB-CD 4.4Å; H76-K86 HydrophobicContact CB-CG 3.86Å; H76-K86 WeakPolarHBondContact ND1-CD 3.26Å; H76-K86 VanDerWaalsContact ND1-CE 3.26Å; H76-K86 WeakPolarHBondContact ND1-CE 3.48Å; Y77-K86 HydrophobicContact CE2-CG 3.94Å; C82-K86 PolarHBondContact O-N 3.43Å; E83-K86 VanDerWaalsContact CD-NZ 3.28Å; E83-K86 WeakPolarHBondContact OE1-CD 3.39Å; E83-K86 IonicContact OE1-NZ 3.05Å; E83-K86 PolarHBondContact OE1-NZ 3.32Å; E83-K86 WeakPolarHBondContact OE2-CD 3.49Å; E83-K86 IonicContact OE2-NZ 3.74Å; E83-K86 PolarHBondContact OE2-NZ 2.86Å; K86-F88 VanDerWaalsContact C-N 3.34Å; K86-F88 PolarHBondContact O-N 3.37Å; K86-F89 PolarHBondContact O-N 3.47Å; K86-K90 WeakPolarHBondContact O-CB 3.08Å; K86-K90 PolarHBondContact O-N 3.32Å
87G97.1Very high94.5Very high13 Ų1350.3 Ų50.313%0.13424%0.241CC..Hα-helixtrans-65.5-37.4-17900000112.9E83 C85 R91E83-G87 PolarHBondContact O-N 3.3Å; C85-G87 PolarHBondContact O-N 2.83Å; G87-R91 WeakPolarHBondContact O-CG 3.47Å; G87-R91 VanDerWaalsContact O-CZ 3.29Å; G87-R91 PolarHBondContact O-N 3.43Å; G87-R91 VanDerWaalsContact O-N 3.17Å; G87-R91 PolarHBondContact O-NH1 3.48Å
88F98.3Very high94.4Very high7 Ų752 Ų523%0.03127%0.269CS..Hα-helixtrans-61.3-54.9174.3171.9-100.4000111.2G84 C85 K86 K90 R91 S92 Y99 Q118 R121 L122G84-F88 VanDerWaalsContact O-CB 3.25Å; G84-F88 WeakPolarHBondContact O-CB 3.11Å; G84-F88 PolarHBondContact O-N 3.5Å; G84-F88 VanDerWaalsContact O-N 3.15Å; C85-F88 PolarHBondContact O-N 2.86Å; K86-F88 VanDerWaalsContact C-N 3.34Å; K86-F88 PolarHBondContact O-N 3.37Å; F88-K90 PolarHBondContact O-N 3.37Å; F88-R91 PolarHBondContact O-N 3.42Å; F88-R91 VanDerWaalsContact O-N 3.16Å; F88-S92 PolarHBondContact O-N 3.35Å; F88-S92 PolarHBondContact O-OG 3.14Å; F88-Y99 AromaticContact CE2-CE2 3.9Å; F88-Y99 HydrophobicContact CE2-CE2 3.9Å; F88-Y99 AromaticContact CE2-CZ 3.98Å; F88-Y99 HydrophobicContact CZ-CD2 4.37Å; F88-Y99 AromaticContact CZ-CE2 3.69Å; F88-Y99 HydrophobicContact CZ-CE2 3.69Å; F88-Q118 HydrophobicContact CE2-CB 4.11Å; F88-Q118 HydrophobicContact CE2-CG 4.18Å; F88-Q118 HydrophobicContact CZ-CB 4.27Å; F88-Q118 WeakPolarHBondContact CZ-O 3.42Å; F88-R121 HydrophobicContact CD1-CG 3.85Å; F88-R121 HydrophobicContact CE1-CB 3.86Å; F88-R121 HydrophobicContact CE1-CG 3.62Å; F88-R121 HydrophobicContact CZ-CB 3.97Å; F88-R121 HydrophobicContact CZ-CG 4.11Å; F88-L122 HydrophobicContact CE1-CB 3.8Å; F88-L122 HydrophobicContact CE1-CD1 4.25Å; F88-L122 HydrophobicContact CZ-CB 3.92Å
89F97.9Very high94.8Very high0 Ų052.3 Ų52.30%026%0.261CS..Hα-helixtrans-56.1-50179.9-171.1-98.7000111.7Y77 C85 K86 R91 S92 I93 L122 C125 L126 M130 R131 V135Y77-F89 HydrophobicContact CD2-CB 4.46Å; Y77-F89 AromaticContact CD2-CD1 3.56Å; Y77-F89 HydrophobicContact CD2-CD1 3.56Å; Y77-F89 HydrophobicContact CD2-CE1 4.26Å; Y77-F89 HydrophobicContact CD2-CG 4.37Å; Y77-F89 HydrophobicContact CE2-CD1 4.16Å; Y77-F89 AromaticContact CG-CD1 3.81Å; Y77-F89 HydrophobicContact CG-CD1 3.81Å; Y77-F89 HydrophobicContact CG-CE1 4.04Å; C85-F89 WeakPolarHBondContact O-CB 3.29Å; C85-F89 PolarHBondContact O-N 3.15Å; K86-F89 PolarHBondContact O-N 3.47Å; F89-R91 VanDerWaalsContact C-N 3.32Å; F89-R91 PolarHBondContact O-N 3.22Å; F89-S92 PolarHBondContact O-N 2.76Å; F89-S92 VanDerWaalsContact O-N 3.15Å; F89-I93 HydrophobicContact CD1-CG1 4.02Å; F89-I93 HydrophobicContact CD2-CG1 4.39Å; F89-I93 HydrophobicContact CE1-CG1 3.72Å; F89-I93 HydrophobicContact CE2-CD1 4.2Å; F89-I93 HydrophobicContact CE2-CG1 4.12Å; F89-I93 HydrophobicContact CG-CG1 4.36Å; F89-I93 HydrophobicContact CZ-CD1 4.08Å; F89-I93 HydrophobicContact CZ-CG1 3.77Å; F89-I93 WeakPolarHBondContact O-CG1 3.29Å; F89-I93 PolarHBondContact O-N 2.92Å; F89-L122 HydrophobicContact CD2-CD1 3.95Å; F89-L122 HydrophobicContact CE2-CD1 4.27Å; F89-C125 HydrophobicContact CD2-CB 3.61Å; F89-C125 HydrophobicContact CE2-CB 4.12Å; F89-L126 HydrophobicContact CE2-CD2 3.76Å; F89-L126 HydrophobicContact CE2-CG 4.26Å; F89-L126 HydrophobicContact CZ-CD2 4.11Å; F89-M130 HydrophobicContact CB-SD 3.79Å; F89-M130 HydrophobicContact CD1-CB 4.27Å; F89-M130 HydrophobicContact CD1-SD 4.32Å; F89-M130 HydrophobicContact CD2-CB 3.78Å; F89-M130 HydrophobicContact CD2-CG 4.42Å; F89-M130 HydrophobicContact CD2-SD 3.76Å; F89-M130 HydrophobicContact CE1-CB 3.98Å; F89-M130 HydrophobicContact CE2-CB 3.45Å; F89-M130 VanDerWaalsContact CE2-CB 3.45Å; F89-M130 HydrophobicContact CE2-SD 4.42Å; F89-M130 HydrophobicContact CG-CB 4.18Å; F89-M130 HydrophobicContact CG-SD 3.7Å; F89-M130 HydrophobicContact CZ-CB 3.56Å; F89-M130 WeakPolarHBondContact CZ-O 3.49Å; F89-R131 WeakPolarHBondContact CE1-O 3.47Å; F89-V135 HydrophobicContact CD1-CG2 3.94Å; F89-V135 HydrophobicContact CE1-CG2 3.73Å
90K96.4Very high95.2Very high75 Ų7558 Ų5833%0.32630%0.295SS..Hα-helixtrans-52.5-46.2176.5-169.5177.985.6178.30113Y77 K86 F88 R94 V135Y77-K90 HydrophobicContact CE2-CB 4.16Å; Y77-K90 WeakPolarHBondContact OH-CB 3.04Å; Y77-K90 WeakPolarHBondContact OH-CD 3.44Å; Y77-K90 VanDerWaalsContact OH-CG 3.29Å; Y77-K90 WeakPolarHBondContact OH-CG 3.4Å; K86-K90 WeakPolarHBondContact O-CB 3.08Å; K86-K90 PolarHBondContact O-N 3.32Å; F88-K90 PolarHBondContact O-N 3.37Å; K90-R94 VanDerWaalsContact CG-NH1 3.26Å; K90-R94 WeakPolarHBondContact O-CB 3.43Å; K90-R94 WeakPolarHBondContact O-CG 3.36Å; K90-R94 PolarHBondContact O-N 3.36Å; K90-V135 HydrophobicContact CG-CG1 4.26Å
91R96.5Very high95.6Very high131 Ų13158 Ų5849%0.49430%0.295SS..Hα-helixtrans-68.7-42.6179.3-74.1-173.5-60.3-92.30.8111.8G87 F88 F89 K95G87-R91 WeakPolarHBondContact O-CG 3.47Å; G87-R91 VanDerWaalsContact O-CZ 3.29Å; G87-R91 PolarHBondContact O-N 3.43Å; G87-R91 VanDerWaalsContact O-N 3.17Å; G87-R91 PolarHBondContact O-NH1 3.48Å; F88-R91 PolarHBondContact O-N 3.42Å; F88-R91 VanDerWaalsContact O-N 3.16Å; F89-R91 VanDerWaalsContact C-N 3.32Å; F89-R91 PolarHBondContact O-N 3.22Å; R91-K95 WeakPolarHBondContact O-CB 3.33Å; R91-K95 PolarHBondContact O-N 2.86Å
92S96.9Very high95.6Very high2 Ų270.2 Ų70.21%0.01434%0.341CS..Hα-helixtrans-63.4-43.6-179.5-55.20000111.8F88 F89 K96 I97 Y99F88-S92 PolarHBondContact O-N 3.35Å; F88-S92 PolarHBondContact O-OG 3.14Å; F89-S92 PolarHBondContact O-N 2.76Å; F89-S92 VanDerWaalsContact O-N 3.15Å; S92-K96 WeakPolarHBondContact O-CA 3.41Å; S92-K96 PolarHBondContact O-N 3.49Å; S92-I97 PolarHBondContact O-N 3.01Å; S92-Y99 VanDerWaalsContact OG-CE2 3.27Å; S92-Y99 WeakPolarHBondContact OG-CE2 3.15Å; S92-Y99 PolarHBondContact OG-OH 2.95Å
93I95.6Very high95.4Very high43 Ų4372.4 Ų72.422%0.22136%0.363CS..Hα-helixtrans-72.1-49.8179.5-59.6-52.4000111.7F89 K95 K96 V135F89-I93 HydrophobicContact CD1-CG1 4.02Å; F89-I93 HydrophobicContact CD2-CG1 4.39Å; F89-I93 HydrophobicContact CE1-CG1 3.72Å; F89-I93 HydrophobicContact CE2-CD1 4.2Å; F89-I93 HydrophobicContact CE2-CG1 4.12Å; F89-I93 HydrophobicContact CG-CG1 4.36Å; F89-I93 HydrophobicContact CZ-CD1 4.08Å; F89-I93 HydrophobicContact CZ-CG1 3.77Å; F89-I93 WeakPolarHBondContact O-CG1 3.29Å; F89-I93 PolarHBondContact O-N 2.92Å; I93-K95 VanDerWaalsContact C-N 3.34Å; I93-K95 PolarHBondContact O-N 2.99Å; I93-K96 PolarHBondContact O-N 2.96Å; I93-V135 HydrophobicContact CB-CB 4.29Å; I93-V135 HydrophobicContact CB-CG1 4.33Å; I93-V135 HydrophobicContact CB-CG2 4.02Å; I93-V135 HydrophobicContact CG1-CG2 4.21Å; I93-V135 HydrophobicContact CG2-CB 3.87Å; I93-V135 HydrophobicContact CG2-CG1 4.22Å; I93-V135 HydrophobicContact CG2-CG2 3.97Å
94R92.6Very high95.3Very high102 Ų10271.9 Ų71.939%0.38537%0.371SS..Hα-helixtrans-60-42.4-177.8-76.7-173.1176.51417.5113.7K90 K96 V135 Q136K90-R94 VanDerWaalsContact CG-NH1 3.26Å; K90-R94 WeakPolarHBondContact O-CB 3.43Å; K90-R94 WeakPolarHBondContact O-CG 3.36Å; K90-R94 PolarHBondContact O-N 3.36Å; R94-K96 VanDerWaalsContact C-N 3.27Å; R94-V135 HydrophobicContact CG-CG1 3.61Å; R94-Q136 PolarHBondContact NE-O 3.27Å; R94-Q136 PolarHBondContact NH2-O 3.26Å
95K91.9Very high95Very high156 Ų15678 Ų7868%0.67839%0.386SS*.THydrogen-bonded Turntrans-87.32.4-179.8-64.5-175.8175.5-166.20112.7R91 I93 I97R91-K95 WeakPolarHBondContact O-CB 3.33Å; R91-K95 PolarHBondContact O-N 2.86Å; I93-K95 VanDerWaalsContact C-N 3.34Å; I93-K95 PolarHBondContact O-N 2.99Å; K95-I97 VanDerWaalsContact C-N 3.25Å; K95-I97 HydrophobicContact CB-CD1 3.86Å; K95-I97 HydrophobicContact CB-CG1 3.51Å; K95-I97 HydrophobicContact CD-CD1 4.16Å; K95-I97 PolarHBondContact O-N 2.91Å
96K89.4Confident94.7Very high190 Ų19083.3 Ų83.383%0.82641%0.414SS*.THydrogen-bonded Turntrans44.949.7-176-61.7-176.8178.5-178.20112.2S92 I93 R94 G98S92-K96 WeakPolarHBondContact O-CA 3.41Å; S92-K96 PolarHBondContact O-N 3.49Å; I93-K96 PolarHBondContact O-N 2.96Å; R94-K96 VanDerWaalsContact C-N 3.27Å; K96-G98 PolarHBondContact O-N 3.44Å
97I90.6Very high94.6Very high61 Ų6182.4 Ų82.431%0.31342%0.415SS..  trans-78.2117.2-171.5-51.7178.1000110.2S92 K95 Y99S92-I97 PolarHBondContact O-N 3.01Å; K95-I97 VanDerWaalsContact C-N 3.25Å; K95-I97 HydrophobicContact CB-CD1 3.86Å; K95-I97 HydrophobicContact CB-CG1 3.51Å; K95-I97 HydrophobicContact CD-CD1 4.16Å; K95-I97 PolarHBondContact O-N 2.91Å; I97-Y99 HydrophobicContact CB-CE1 4.17Å; I97-Y99 HydrophobicContact CB-CE2 4.44Å; I97-Y99 HydrophobicContact CG2-CD1 3.75Å; I97-Y99 HydrophobicContact CG2-CE1 3.37Å; I97-Y99 HydrophobicContact CG2-CE2 4.4Å; I97-Y99 HydrophobicContact CG2-CG 4.39Å; I97-Y99 PolarHBondContact O-N 3.48Å
98G92.1Very high94.4Very high72 Ų7287 Ų8774%0.74244%0.442SS*.  trans-81.299.1168.600000111.4K96K96-G98 PolarHBondContact O-N 3.44Å
99Y96.8Very high94.2Very high40 Ų4087.2 Ų87.216%0.15744%0.444CS..  trans-79.9150.5172.7-60.2-59.3000111.6F88 S92 I97 Q118 Y119 L122F88-Y99 AromaticContact CE2-CE2 3.9Å; F88-Y99 HydrophobicContact CE2-CE2 3.9Å; F88-Y99 AromaticContact CE2-CZ 3.98Å; F88-Y99 HydrophobicContact CZ-CD2 4.37Å; F88-Y99 AromaticContact CZ-CE2 3.69Å; F88-Y99 HydrophobicContact CZ-CE2 3.69Å; S92-Y99 VanDerWaalsContact OG-CE2 3.27Å; S92-Y99 WeakPolarHBondContact OG-CE2 3.15Å; S92-Y99 PolarHBondContact OG-OH 2.95Å; I97-Y99 HydrophobicContact CB-CE1 4.17Å; I97-Y99 HydrophobicContact CB-CE2 4.44Å; I97-Y99 HydrophobicContact CG2-CD1 3.75Å; I97-Y99 HydrophobicContact CG2-CE1 3.37Å; I97-Y99 HydrophobicContact CG2-CE2 4.4Å; I97-Y99 HydrophobicContact CG2-CG 4.39Å; I97-Y99 PolarHBondContact O-N 3.48Å; Y99-Q118 HydrophobicContact CD1-CB 3.56Å; Y99-Q118 HydrophobicContact CD1-CG 4.39Å; Y99-Q118 VanDerWaalsContact CD1-OE1 3.28Å; Y99-Q118 HydrophobicContact CD2-CB 3.95Å; Y99-Q118 HydrophobicContact CE1-CB 3.76Å; Y99-Q118 HydrophobicContact CE1-CG 4.23Å; Y99-Q118 HydrophobicContact CE2-CB 4.11Å; Y99-Q118 HydrophobicContact CG-CB 3.68Å; Y99-Y119 VanDerWaalsContact O-CD2 3.32Å; Y99-Y119 WeakPolarHBondContact O-CD2 3.25Å; Y99-L122 HydrophobicContact CD2-CB 4.13Å; Y99-L122 HydrophobicContact CD2-CD2 3.85Å; Y99-L122 HydrophobicContact CE2-CB 4.33Å; Y99-L122 HydrophobicContact CE2-CD2 4Å
100V96.3Very high94Very high128 Ų12889.7 Ų89.778%0.77646%0.459SS*.  trans-118.6131172.2-177.60000109.2
101C97.4Very high93.9Very high16 Ų1690.9 Ų90.911%0.10846%0.464CS..  trans-77.5136.3172.5-168.40000110.2G103 R105 Y119C101-G103 PolarHBondContact SG-N 2.76Å; C101-G103 VanDerWaalsContact SG-N 3.36Å; C101-R105 HydrophobicContact CB-CG 3.84Å; C101-Y119 HydrophobicContact CB-CD1 3.56Å; C101-Y119 HydrophobicContact CB-CE1 4.26Å; C101-Y119 HydrophobicContact CB-CG 3.83Å
102R95.3Very high93.9Very high257 Ų25792.6 Ų92.697%0.9748%0.475SS*.SBendtrans-90.20.7173.8-63.2-175.5178.2-175.2-1.7113.9
103G92.7Very high93.7Very high47 Ų4798.2 Ų98.249%0.48550%0.501SS..SBendtrans-129-150.7176.700000111.1C101 R105C101-G103 PolarHBondContact SG-N 2.76Å; C101-G103 VanDerWaalsContact SG-N 3.36Å; G103-R105 VanDerWaalsContact C-N 3.25Å; G103-R105 PolarHBondContact O-N 3.15Å; G103-R105 VanDerWaalsContact O-N 3.12Å
104S93.9Very high93.7Very high92 Ų9298.3 Ų98.364%0.64350%0.499SS*.SBendtrans-79.118.6-174350000115.9D106S104-D106 VanDerWaalsContact CB-OD1 3.27Å; S104-D106 WeakPolarHBondContact CB-OD1 3.32Å; S104-D106 PolarHBondContact O-N 2.77Å; S104-D106 VanDerWaalsContact OG-CG 3.25Å; S104-D106 PolarHBondContact OG-OD1 3.18Å; S104-D106 PolarHBondContact OG-OD2 3.41Å
105R92.7Very high93.9Very high155 Ų15599.1 Ų99.159%0.58551%0.511SS*.SBendtrans59.725.2178.3-60.2-179.8-174.7-1673.2115.1C101 G103 Y119 K123C101-R105 HydrophobicContact CB-CG 3.84Å; G103-R105 VanDerWaalsContact C-N 3.25Å; G103-R105 PolarHBondContact O-N 3.15Å; G103-R105 VanDerWaalsContact O-N 3.12Å; R105-Y119 HydrophobicContact CB-CD1 4.42Å; R105-Y119 HydrophobicContact CB-CE1 3.71Å; R105-Y119 HydrophobicContact CG-CD1 4.36Å; R105-Y119 HydrophobicContact CG-CE1 3.73Å; R105-K123 PolarHBondContact O-NZ 3.01Å
106D91.8Very high94.1Very high110 Ų110102.3 Ų102.359%0.58852%0.519SS*.  trans-135.610.3-175.164.4-18.6000113.1S104S104-D106 VanDerWaalsContact CB-OD1 3.27Å; S104-D106 WeakPolarHBondContact CB-OD1 3.32Å; S104-D106 PolarHBondContact O-N 2.77Å; S104-D106 VanDerWaalsContact OG-CG 3.25Å; S104-D106 PolarHBondContact OG-OD1 3.18Å; S104-D106 PolarHBondContact OG-OD2 3.41Å
107C94.4Very high94.5Very high34 Ų3494 Ų9423%0.2348%0.484CS..  trans-50.5131.2-178.1-51.80000113.1V109 C117 C120C107-V109 PolarHBondContact O-N 3.48Å; C107-C117 HydrophobicContact CB-CB 3.8Å; C107-C120 HydrophobicContact CB-CB 3.93Å; C107-C120 PolarHBondContact N-SG 3.07Å
108P92.2Very high94.9Very high108 Ų10896.1 Ų96.170%0.70149%0.493SS*.  trans-66.4132.8-177.926.1-34.3000111.8
109V95.1Very high95.2Very high13 Ų1395.7 Ų95.78%0.07947%0.469CS..  trans-107.3105.5179.4-1770000109V67 C68 C107 R114 C120 R121 K124V67-V109 HydrophobicContact CG1-CG1 4.11Å; C68-V109 HydrophobicContact CB-CG1 4.12Å; C107-V109 PolarHBondContact O-N 3.48Å; V109-R114 HydrophobicContact CG1-CB 3.96Å; V109-C120 HydrophobicContact CG2-CB 4.43Å; V109-R121 HydrophobicContact CG1-CG 4.14Å; V109-R121 HydrophobicContact CG2-CB 4.42Å; V109-K124 HydrophobicContact CB-CD 3.74Å; V109-K124 HydrophobicContact CG1-CD 4.33Å; V109-K124 HydrophobicContact CG2-CB 4.35Å; V109-K124 HydrophobicContact CG2-CD 4.03Å; V109-K124 PolarHBondContact O-NZ 3.3Å
110T93.6Very high95.2Very high52 Ų5294.1 Ų94.132%0.31946%0.464SS..  trans-125.8166.5-179.359.70000110.4C68 F112 H113 R114C68-T110 CarbonylContact O-C 3.54Å; C68-T110 VanDerWaalsContact O-C 3.28Å; C68-T110 WeakPolarHBondContact O-CA 3.42Å; T110-F112 PolarHBondContact O-N 3.29Å; T110-H113 PolarHBondContact O-N 2.94Å; T110-H113 PolarHBondContact OG1-N 3.31Å; T110-H113 PolarHBondContact OG1-ND1 3Å; T110-H113 VanDerWaalsContact OG1-ND1 3.17Å; T110-R114 WeakPolarHBondContact O-CA 3.36Å; T110-R114 WeakPolarHBondContact O-CB 3.46Å; T110-R114 PolarHBondContact O-N 3.06Å
111K94.6Very high95.3Very high100 Ų10088.4 Ų88.444%0.43543%0.429SS..THydrogen-bonded Turntrans-48.5-46177.5175.4175.6178.7157.80112.6C68 D70C68-K111 PolarHBondContact O-N 3.18Å; D70-K111 HydrophobicContact CB-CB 4.2Å; D70-K111 HydrophobicContact CB-CD 4.18Å; D70-K111 HydrophobicContact CB-CG 3.99Å; D70-K111 WeakPolarHBondContact OD1-CD 3.45Å; D70-K111 WeakPolarHBondContact OD1-CE 3.45Å; D70-K111 IonicContact OD1-NZ 2.81Å; D70-K111 PolarHBondContact OD1-NZ 2.62Å
112F95.2Very high95.3Very high166 Ų16688.9 Ų88.973%0.72843%0.43SS*.THydrogen-bonded Turntrans-79.2-37.5-176-54.9-74.9000112.9T110T110-F112 PolarHBondContact O-N 3.29Å
113H93.3Very high95.4Very high121 Ų12181.8 Ų81.856%0.5641%0.406SS*.THydrogen-bonded Turntrans-110.99.5-169.9-48.3102.4000114.1T110 N115 R116T110-H113 PolarHBondContact O-N 2.94Å; T110-H113 PolarHBondContact OG1-N 3.31Å; T110-H113 PolarHBondContact OG1-ND1 3Å; T110-H113 VanDerWaalsContact OG1-ND1 3.17Å; H113-N115 PolarHBondContact O-N 2.87Å; H113-R116 VanDerWaalsContact O-CB 3.3Å; H113-R116 WeakPolarHBondContact O-CB 3.38Å; H113-R116 PolarHBondContact O-N 3Å
114R96.3Very high95.6Very high44 Ų4482.9 Ų82.917%0.16640%0.397CS..THydrogen-bonded Turntrans-58-20.3179.560.6-170.4-173.1-162.2-5.7114.4C68 D70 C82 V109 T110 R121C68-R114 HydrophobicContact CB-CB 4.27Å; C68-R114 PolarHBondContact SG-NH1 3.25Å; D70-R114 IonicContact OD2-CZ 2.67Å; D70-R114 IonicContact OD2-NH1 3.71Å; D70-R114 PolarHBondContact OD2-NH1 2.87Å; D70-R114 IonicContact OD2-NH2 2.84Å; D70-R114 PolarHBondContact OD2-NH2 2.87Å; C82-R114 PolarHBondContact SG-NH1 3.23Å; V109-R114 HydrophobicContact CG1-CB 3.96Å; T110-R114 WeakPolarHBondContact O-CA 3.36Å; T110-R114 WeakPolarHBondContact O-CB 3.46Å; T110-R114 PolarHBondContact O-N 3.06Å; R114-R121 WeakPolarHBondContact O-CD 3.38Å
115N97Very high95.7Very high120 Ų12078.5 Ų78.564%0.64237%0.367SS*.THydrogen-bonded Turntrans-89.8-5.3179.1-64.6-23.7000113.6H113 R121H113-N115 PolarHBondContact O-N 2.87Å; N115-R121 PolarHBondContact OD1-NH1 2.89Å
116R96.2Very high95.8Very high222 Ų22275.2 Ų75.284%0.83836%0.36SS*.SBendtrans-68.2-38.7-177-17861.9172-171.2-1.1113.1H113H113-R116 VanDerWaalsContact O-CB 3.3Å; H113-R116 WeakPolarHBondContact O-CB 3.38Å; H113-R116 PolarHBondContact O-N 3Å
117C97.9Very high95.9Very high16 Ų1673.3 Ų73.311%0.10836%0.36CS..  trans-138.8107.5179.9-176.60000110.7C107 C120 R121C107-C117 HydrophobicContact CB-CB 3.8Å; C117-C120 HydrophobicContact CB-CB 4.23Å; C117-C120 PolarHBondContact SG-N 3.03Å; C117-R121 WeakPolarHBondContact O-CB 3.47Å; C117-R121 PolarHBondContact O-N 3.33Å; C117-R121 VanDerWaalsContact O-N 3.11Å
118Q97.8Very high95.7Very high105 Ų10574.5 Ų74.549%0.49136%0.363SS..Hα-helixtrans-68.6-35.9180-65.9175.5-36.200112F88 Y99 R121 L122F88-Q118 HydrophobicContact CE2-CB 4.11Å; F88-Q118 HydrophobicContact CE2-CG 4.18Å; F88-Q118 HydrophobicContact CZ-CB 4.27Å; F88-Q118 WeakPolarHBondContact CZ-O 3.42Å; Y99-Q118 HydrophobicContact CD1-CB 3.56Å; Y99-Q118 HydrophobicContact CD1-CG 4.39Å; Y99-Q118 VanDerWaalsContact CD1-OE1 3.28Å; Y99-Q118 HydrophobicContact CD2-CB 3.95Å; Y99-Q118 HydrophobicContact CE1-CB 3.76Å; Y99-Q118 HydrophobicContact CE1-CG 4.23Å; Y99-Q118 HydrophobicContact CE2-CB 4.11Å; Y99-Q118 HydrophobicContact CG-CB 3.68Å; Q118-R121 PolarHBondContact O-N 3.33Å; Q118-L122 PolarHBondContact O-N 3.5Å
119Y98.2Very high95.6Very high63 Ų6371.1 Ų71.125%0.24735%0.348CS..Hα-helixtrans-57.6-55.4175.2174.5-88.6000111.5Y99 C101 R105 R121 L122 K123Y99-Y119 VanDerWaalsContact O-CD2 3.32Å; Y99-Y119 WeakPolarHBondContact O-CD2 3.25Å; C101-Y119 HydrophobicContact CB-CD1 3.56Å; C101-Y119 HydrophobicContact CB-CE1 4.26Å; C101-Y119 HydrophobicContact CB-CG 3.83Å; R105-Y119 HydrophobicContact CB-CD1 4.42Å; R105-Y119 HydrophobicContact CB-CE1 3.71Å; R105-Y119 HydrophobicContact CG-CD1 4.36Å; R105-Y119 HydrophobicContact CG-CE1 3.73Å; Y119-R121 VanDerWaalsContact C-N 3.28Å; Y119-R121 PolarHBondContact O-N 3.43Å; Y119-L122 PolarHBondContact O-N 2.93Å; Y119-K123 HydrophobicContact CE1-CD 4.01Å; Y119-K123 WeakPolarHBondContact O-CB 3.27Å; Y119-K123 PolarHBondContact O-N 3.44Å
120C97.5Very high95.6Very high7 Ų770.8 Ų70.85%0.04735%0.346CS..Hα-helixtrans-65.8-33-178.9-64.70000112C107 V109 C117 K124C107-C120 HydrophobicContact CB-CB 3.93Å; C107-C120 PolarHBondContact N-SG 3.07Å; V109-C120 HydrophobicContact CG2-CB 4.43Å; C117-C120 HydrophobicContact CB-CB 4.23Å; C117-C120 PolarHBondContact SG-N 3.03Å; C120-K124 VanDerWaalsContact O-CB 3.32Å; C120-K124 WeakPolarHBondContact O-CB 3.4Å; C120-K124 PolarHBondContact O-N 3.3Å
121R98.3Very high95.5Very high9 Ų975.1 Ų75.13%0.03436%0.356CS..Hα-helixtrans-63.4-46.7173.6-169.4-173.1-172165.9-3.7112.2G84 F88 V109 R114 N115 C117 Q118 Y119 K124 C125G84-R121 VanDerWaalsContact C-NH2 3.26Å; G84-R121 PolarHBondContact O-NH2 2.78Å; F88-R121 HydrophobicContact CD1-CG 3.85Å; F88-R121 HydrophobicContact CE1-CB 3.86Å; F88-R121 HydrophobicContact CE1-CG 3.62Å; F88-R121 HydrophobicContact CZ-CB 3.97Å; F88-R121 HydrophobicContact CZ-CG 4.11Å; V109-R121 HydrophobicContact CG1-CG 4.14Å; V109-R121 HydrophobicContact CG2-CB 4.42Å; R114-R121 WeakPolarHBondContact O-CD 3.38Å; N115-R121 PolarHBondContact OD1-NH1 2.89Å; C117-R121 WeakPolarHBondContact O-CB 3.47Å; C117-R121 PolarHBondContact O-N 3.33Å; C117-R121 VanDerWaalsContact O-N 3.11Å; Q118-R121 PolarHBondContact O-N 3.33Å; Y119-R121 VanDerWaalsContact C-N 3.28Å; Y119-R121 PolarHBondContact O-N 3.43Å; R121-K124 PolarHBondContact O-N 3.4Å; R121-C125 PolarHBondContact O-N 3.35Å; R121-C125 PolarHBondContact O-SG 3.28Å
122L98Very high95.4Very high25 Ų2573 Ų7313%0.13135%0.354CS..Hα-helixtrans-67.3-44.2178.8-176.962.3000111.3F88 F89 Y99 Q118 Y119 K124 C125 L126F88-L122 HydrophobicContact CE1-CB 3.8Å; F88-L122 HydrophobicContact CE1-CD1 4.25Å; F88-L122 HydrophobicContact CZ-CB 3.92Å; F89-L122 HydrophobicContact CD2-CD1 3.95Å; F89-L122 HydrophobicContact CE2-CD1 4.27Å; Y99-L122 HydrophobicContact CD2-CB 4.13Å; Y99-L122 HydrophobicContact CD2-CD2 3.85Å; Y99-L122 HydrophobicContact CE2-CB 4.33Å; Y99-L122 HydrophobicContact CE2-CD2 4Å; Q118-L122 PolarHBondContact O-N 3.5Å; Y119-L122 PolarHBondContact O-N 2.93Å; L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 3.45Å; L122-C125 WeakPolarHBondContact O-CB 3.18Å; L122-C125 PolarHBondContact O-N 3.17Å; L122-L126 HydrophobicContact CG-CD1 4.47Å; L122-L126 PolarHBondContact O-N 3.16Å
123K96.6Very high95.3Very high108 Ų10871 Ų7147%0.4735%0.347SS..Hα-helixtrans-53.2-45.8172.7-179179.8171.2-174.80111.1R105 Y119 L126 A127R105-K123 PolarHBondContact O-NZ 3.01Å; Y119-K123 HydrophobicContact CE1-CD 4.01Å; Y119-K123 WeakPolarHBondContact O-CB 3.27Å; Y119-K123 PolarHBondContact O-N 3.44Å; K123-L126 PolarHBondContact O-N 3.4Å; K123-A127 WeakPolarHBondContact O-CB 3.5Å; K123-A127 PolarHBondContact O-N 3.33Å
124K95.9Very high95Very high70 Ų7067.9 Ų67.930%0.30434%0.339SS..Hα-helixtrans-68.1-36176.6-165.6174.7-177.7-171.40112.9V67 V109 C120 R121 L122 A127 M128V67-K124 HydrophobicContact CG1-CB 4.4Å; V67-K124 HydrophobicContact CG1-CD 4.44Å; V67-K124 HydrophobicContact CG1-CG 4.35Å; V67-K124 VanDerWaalsContact O-CD 3.23Å; V67-K124 WeakPolarHBondContact O-CD 3.26Å; V67-K124 WeakPolarHBondContact O-CE 3.38Å; V67-K124 PolarHBondContact O-NZ 3.45Å; V109-K124 HydrophobicContact CB-CD 3.74Å; V109-K124 HydrophobicContact CG1-CD 4.33Å; V109-K124 HydrophobicContact CG2-CB 4.35Å; V109-K124 HydrophobicContact CG2-CD 4.03Å; V109-K124 PolarHBondContact O-NZ 3.3Å; C120-K124 VanDerWaalsContact O-CB 3.32Å; C120-K124 WeakPolarHBondContact O-CB 3.4Å; C120-K124 PolarHBondContact O-N 3.3Å; R121-K124 PolarHBondContact O-N 3.4Å; L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 3.45Å; K124-A127 PolarHBondContact O-N 3.12Å; K124-M128 HydrophobicContact CG-CG 4.04Å; K124-M128 WeakPolarHBondContact O-CB 3.38Å; K124-M128 WeakPolarHBondContact O-CG 3.39Å; K124-M128 PolarHBondContact O-N 3.07Å
125C96.8Very high94.7Very high0 Ų066.6 Ų66.60%034%0.336CS..Hα-helixtrans-58.2-49.7174.3-65.50000111.4F89 R121 L122 M128 G129 M130F89-C125 HydrophobicContact CD2-CB 3.61Å; F89-C125 HydrophobicContact CE2-CB 4.12Å; R121-C125 PolarHBondContact O-N 3.35Å; R121-C125 PolarHBondContact O-SG 3.28Å; L122-C125 WeakPolarHBondContact O-CB 3.18Å; L122-C125 PolarHBondContact O-N 3.17Å; C125-M128 PolarHBondContact O-N 3.27Å; C125-G129 PolarHBondContact O-N 3.2Å; C125-M130 HydrophobicContact CB-CB 4.31Å; C125-M130 HydrophobicContact CB-CG 4.28Å; C125-M130 HydrophobicContact CB-SD 3.65Å; C125-M130 VanDerWaalsContact O-CB 3.3Å; C125-M130 WeakPolarHBondContact O-CB 3.4Å; C125-M130 PolarHBondContact O-N 3.34Å
126L95.7Very high94.1Very high86 Ų8667.2 Ų67.245%0.4534%0.335SS..Hα-helixtrans-63.3-45.2177.9-65.9167.7000111.3F89 L122 K123 M128 G129F89-L126 HydrophobicContact CE2-CD2 3.76Å; F89-L126 HydrophobicContact CE2-CG 4.26Å; F89-L126 HydrophobicContact CZ-CD2 4.11Å; L122-L126 HydrophobicContact CG-CD1 4.47Å; L122-L126 PolarHBondContact O-N 3.16Å; K123-L126 PolarHBondContact O-N 3.4Å; L126-M128 PolarHBondContact O-N 3.4Å; L126-G129 PolarHBondContact O-N 3.43Å
127A92.9Very high93.2Very high71 Ų7160.9 Ų60.959%0.58733%0.33SS*.Hα-helixtrans-62-31178.700000113.3K123 K124 G129K123-A127 WeakPolarHBondContact O-CB 3.5Å; K123-A127 PolarHBondContact O-N 3.33Å; K124-A127 PolarHBondContact O-N 3.12Å; A127-G129 VanDerWaalsContact C-N 3.26Å; A127-G129 PolarHBondContact O-N 3.08Å
128M91.4Very high92.1Very high58 Ų5868.4 Ų68.429%0.28636%0.364SS..THydrogen-bonded Turntrans-89.116.5176.3-57.5-67.69400113V66 V67 A79 K124 C125 L126V66-M128 HydrophobicContact CB-CB 4.42Å; V66-M128 HydrophobicContact CG2-CB 3.62Å; V66-M128 HydrophobicContact CG2-CG 4.16Å; V67-M128 HydrophobicContact CG2-CB 4.44Å; A79-M128 VanDerWaalsContact CB-O 3.29Å; A79-M128 WeakPolarHBondContact CB-O 3.3Å; K124-M128 HydrophobicContact CG-CG 4.04Å; K124-M128 WeakPolarHBondContact O-CB 3.38Å; K124-M128 WeakPolarHBondContact O-CG 3.39Å; K124-M128 PolarHBondContact O-N 3.07Å; C125-M128 PolarHBondContact O-N 3.27Å; L126-M128 PolarHBondContact O-N 3.4Å
129G89.5Confident91Very high38 Ų3873.5 Ų73.539%0.39238%0.378SS..THydrogen-bonded Turntrans88.416170.700000116.1C125 L126 A127 R131C125-G129 PolarHBondContact O-N 3.2Å; L126-G129 PolarHBondContact O-N 3.43Å; A127-G129 VanDerWaalsContact C-N 3.26Å; A127-G129 PolarHBondContact O-N 3.08Å; G129-R131 PolarHBondContact O-N 2.83Å
130M94.3Very high89.7Confident5 Ų579.9 Ų79.93%0.02541%0.407CS..  trans-73.1123.2170-67.6-170.6163.900111.4V67 Y77 A79 S81 C85 F89 C125V67-M130 HydrophobicContact CG2-CE 4.21Å; Y77-M130 CarbonylContact O-C 3.51Å; Y77-M130 VanDerWaalsContact O-CA 3.29Å; Y77-M130 WeakPolarHBondContact O-CA 3.31Å; A79-M130 HydrophobicContact CB-CG 3.98Å; S81-M130 WeakPolarHBondContact OG-CE 3.43Å; C85-M130 HydrophobicContact CB-CE 4.37Å; F89-M130 HydrophobicContact CB-SD 3.79Å; F89-M130 HydrophobicContact CD1-CB 4.27Å; F89-M130 HydrophobicContact CD1-SD 4.32Å; F89-M130 HydrophobicContact CD2-CB 3.78Å; F89-M130 HydrophobicContact CD2-CG 4.42Å; F89-M130 HydrophobicContact CD2-SD 3.76Å; F89-M130 HydrophobicContact CE1-CB 3.98Å; F89-M130 HydrophobicContact CE2-CB 3.45Å; F89-M130 VanDerWaalsContact CE2-CB 3.45Å; F89-M130 HydrophobicContact CE2-SD 4.42Å; F89-M130 HydrophobicContact CG-CB 4.18Å; F89-M130 HydrophobicContact CG-SD 3.7Å; F89-M130 HydrophobicContact CZ-CB 3.56Å; F89-M130 WeakPolarHBondContact CZ-O 3.49Å; C125-M130 HydrophobicContact CB-CB 4.31Å; C125-M130 HydrophobicContact CB-CG 4.28Å; C125-M130 HydrophobicContact CB-SD 3.65Å; C125-M130 VanDerWaalsContact O-CB 3.3Å; C125-M130 WeakPolarHBondContact O-CB 3.4Å; C125-M130 PolarHBondContact O-N 3.34Å
131R92.9Very high88.3Confident143 Ų14385.3 Ų85.354%0.5444%0.443SS..  trans-94120.9-173.9-73.3-179.3-176.8-83.52.1111.8Y77 F89 G129 E133 S134Y77-R131 PolarHBondContact O-N 3.25Å; F89-R131 WeakPolarHBondContact CE1-O 3.47Å; G129-R131 PolarHBondContact O-N 2.83Å; R131-E133 VanDerWaalsContact C-N 3.31Å; R131-E133 VanDerWaalsContact CB-CD 3.45Å; R131-E133 HydrophobicContact CB-CG 4.23Å; R131-E133 WeakPolarHBondContact CB-OE1 3.38Å; R131-E133 WeakPolarHBondContact CB-OE2 3.31Å; R131-E133 VanDerWaalsContact CD-OE1 3.28Å; R131-E133 WeakPolarHBondContact CD-OE1 3.43Å; R131-E133 VanDerWaalsContact CG-OE1 3.24Å; R131-E133 WeakPolarHBondContact CG-OE1 3.35Å; R131-E133 IonicContact NH1-OE1 3.62Å; R131-E133 PolarHBondContact NH1-OE1 3.31Å; R131-E133 VanDerWaalsContact NH1-OE1 3.11Å; R131-S134 WeakPolarHBondContact CB-OG 3.46Å; R131-S134 PolarHBondContact O-N 3.27Å
132S92.5Very high86.4Confident55 Ų5592.5 Ų92.539%0.38548%0.48SS..G310 helixtrans-70.4-32.1-178.458.90000111.6S134 V135S132-S134 PolarHBondContact O-N 2.94Å; S132-V135 WeakPolarHBondContact O-CB 3.19Å; S132-V135 PolarHBondContact O-N 3.45Å; S132-V135 VanDerWaalsContact O-N 3.12Å
133E91.5Very high84.4Confident124 Ų12495.7 Ų95.758%0.57951%0.51SS*.G310 helixtrans-61.7-26.3175.465.4-85.3-161.800113.1R131 V135R131-E133 VanDerWaalsContact C-N 3.31Å; R131-E133 VanDerWaalsContact CB-CD 3.45Å; R131-E133 HydrophobicContact CB-CG 4.23Å; R131-E133 WeakPolarHBondContact CB-OE1 3.38Å; R131-E133 WeakPolarHBondContact CB-OE2 3.31Å; R131-E133 VanDerWaalsContact CD-OE1 3.28Å; R131-E133 WeakPolarHBondContact CD-OE1 3.43Å; R131-E133 VanDerWaalsContact CG-OE1 3.24Å; R131-E133 WeakPolarHBondContact CG-OE1 3.35Å; R131-E133 IonicContact NH1-OE1 3.62Å; R131-E133 PolarHBondContact NH1-OE1 3.31Å; R131-E133 VanDerWaalsContact NH1-OE1 3.11Å; E133-V135 PolarHBondContact O-N 3.4Å
134S88.8Confident81.8Confident56 Ų5698.3 Ų98.339%0.39253%0.529SS..G310 helixtrans-76.6-4.3177-53.30000113.5R131 S132 Q136R131-S134 WeakPolarHBondContact CB-OG 3.46Å; R131-S134 PolarHBondContact O-N 3.27Å; S132-S134 PolarHBondContact O-N 2.94Å; S134-Q136 PolarHBondContact O-N 3.47Å
135V89.5Confident79.3Confident18 Ų1898.4 Ų98.411%0.10955%0.55CS.*SBendtrans-91.199.5-179.4-175.30000110Y77 F89 K90 I93 R94 S132 E133Y77-V135 HydrophobicContact CD1-CG2 3.7Å; Y77-V135 HydrophobicContact CE1-CB 4.38Å; Y77-V135 HydrophobicContact CE1-CG2 3.72Å; Y77-V135 HydrophobicContact CG-CG2 4.27Å; F89-V135 HydrophobicContact CD1-CG2 3.94Å; F89-V135 HydrophobicContact CE1-CG2 3.73Å; K90-V135 HydrophobicContact CG-CG1 4.26Å; I93-V135 HydrophobicContact CB-CB 4.29Å; I93-V135 HydrophobicContact CB-CG1 4.33Å; I93-V135 HydrophobicContact CB-CG2 4.02Å; I93-V135 HydrophobicContact CG1-CG2 4.21Å; I93-V135 HydrophobicContact CG2-CB 3.87Å; I93-V135 HydrophobicContact CG2-CG1 4.22Å; I93-V135 HydrophobicContact CG2-CG2 3.97Å; R94-V135 HydrophobicContact CG-CG1 3.61Å; S132-V135 WeakPolarHBondContact O-CB 3.19Å; S132-V135 PolarHBondContact O-N 3.45Å; S132-V135 VanDerWaalsContact O-N 3.12Å; E133-V135 PolarHBondContact O-N 3.4Å
136Q84.8Confident76.5Confident133 Ų133106.9 Ų106.962%0.62160%0.595SS**PPolyproline II helixtrans-56.7143.6176.5-66.1176.5-12.900112.4R94 S134R94-Q136 PolarHBondContact NE-O 3.27Å; R94-Q136 PolarHBondContact NH2-O 3.26Å; S134-Q136 PolarHBondContact O-N 3.47Å
137A77Confident73.8Confident89 Ų89105.9 Ų105.974%0.73661%0.606SS**PPolyproline II helixtrans-61160.7170.300000111.8R139A137-R139 PolarHBondContact O-N 3Å
138E73.4Confident71.3Confident174 Ų174107.7 Ų107.781%0.81362%0.615SS**PPolyproline II helixtrans-64.1131.6-177.2-168.1155.8-142.900111.3K140E138-K140 PolarHBondContact O-N 2.87Å
139R76.2Confident68.8Low212 Ų212111 Ų11180%0.864%0.638SS**PPolyproline II helixtrans-72.5121169.3-68-174.6-172.2-169.11.4107.2A137A137-R139 PolarHBondContact O-N 3Å
140K71.4Confident66.5Low196 Ų196117 Ų11785%0.85266%0.661SS**PPolyproline II helixtrans-57.6131.5170.3-71.3177.2178.8177.70108.5E138 I142E138-K140 PolarHBondContact O-N 2.87Å; K140-I142 PolarHBondContact O-N 2.82Å
141P67.3Low63.9Low122 Ų122123 Ų12379%0.79270%0.698SS**PPolyproline II helixtrans-59.6133.4173.1-19.430.5000109.9A143P141-A143 PolarHBondContact O-N 2.88Å
142I58.6Low61.3Low159 Ų159122.4 Ų122.482%0.81571%0.71SS**  trans-68.3103.9170.1-61.9166000106.2K140 N144K140-I142 PolarHBondContact O-N 2.82Å; I142-N144 PolarHBondContact O-N 3.06Å
143A56Low58.8Low92 Ų92125.5 Ų125.576%0.7673%0.727SS**  trans-73.6110.8171.200000108.2P141 G145P141-A143 PolarHBondContact O-N 2.88Å; A143-G145 PolarHBondContact O-N 3.25Å; A143-G145 VanDerWaalsContact O-N 3.15Å
144N41Very low56.4Low163 Ų163125.1 Ų125.187%0.87274%0.735SS**  trans-64.4106.2162.9-79.42.2000108.1I142I142-N144 PolarHBondContact O-N 3.06Å
145G43.3Very low54Low73 Ų73126.9 Ų126.975%0.75375%0.747SS**  trans-157.8108.217600000110.9A143A143-G145 PolarHBondContact O-N 3.25Å; A143-G145 VanDerWaalsContact O-N 3.15Å
146N39.8Very low51.3Low177 Ų177131.5 Ų131.595%0.94778%0.781SS**  trans-51.2147.2172.8-84.5-10.4000113.3
147G37.9Very low49.1Very low65 Ų65132.9 Ų132.967%0.6779%0.791SS**  trans116.994144.500000116.6
148S41.3Very low47.1Very low110 Ų110135.7 Ų135.777%0.76979%0.79SS**  trans52.6127.3131.343.60000121.4
149T37.8Very low45.2Very low126 Ų126135.4 Ų135.477%0.77379%0.794SS**  trans68.995.8153.362.30000117.7
150D41.6Very low43.3Very low165 Ų165131.8 Ų131.888%0.88279%0.79SS**  -171.4139.996.4-108.9-27.6000113
151V39.3Very low41.3Very low132 Ų132128.3 Ų128.380%0.879%0.787SS**  trans-76.7114.8178.6172.20000108.6
152T39Very low39.7Very low130 Ų130127.4 Ų127.480%0.79879%0.79SS**  trans-164.4111148.9-61.20000109.9
153T39.2Very low38.6Very low120 Ų120124.5 Ų124.574%0.73679%0.79SS**  trans-57.3145.3163.2-0.50000111
154P40.8Very low37.6Very low115 Ų115125.8 Ų125.875%0.74779%0.794SS**  -139.211611725.7-7.5000110.9
155S39Very low37.6Very low93 Ų93124.9 Ų124.965%0.6579%0.794SS**  79.3100.386.5-63.30000112.2I157S155-I157 PolarHBondContact O-N 3.22Å
156S33.1Very low37.2Very low116 Ų116125 Ų12581%0.81180%0.795SS**  trans-20.1114148.7-40.20000113.1M158S156-M158 VanDerWaalsContact C-N 3.3Å; S156-M158 PolarHBondContact O-N 3.39Å; S156-M158 VanDerWaalsContact O-N 3.12Å
157I38Very low37Very low161 Ų161120 Ų12083%0.82679%0.785SS**  trans-81.789.2162.4-57.9177.8000106.4S155S155-I157 PolarHBondContact O-N 3.22Å
158M34.3Very low37.1Very low148 Ų148122.8 Ų122.873%0.72980%0.795SS**  trans-69.8127.7153-70.1-165.186.200108S156 N160S156-M158 VanDerWaalsContact C-N 3.3Å; S156-M158 PolarHBondContact O-N 3.39Å; S156-M158 VanDerWaalsContact O-N 3.12Å; M158-N160 PolarHBondContact O-N 2.74Å
159L35.4Very low36.5Very low169 Ų169126.9 Ų126.989%0.88580%0.799SS**  trans-89.991.1159.8-82.4156.2000107
160N34.4Very low36.4Very low135 Ų135126.4 Ų126.472%0.72280%0.798SS**  trans-101.7133.1163.8-113.119.3000108.4M158M158-N160 PolarHBondContact O-N 2.74Å
161P30.9Very low35.9Very low123 Ų123125.4 Ų125.480%0.79979%0.793SS**  trans-92.1111.1175.132.9-25.7000109.9
162A33.3Very low35.6Very low103 Ų103126 Ų12685%0.85179%0.791SS**  trans-176.5109.1154.700000110.1
163A36.2Very low35.5Very low99 Ų99123.7 Ų123.782%0.81878%0.78SS**  trans-125101.7159.100000107.6
164S34.3Very low35.3Very low119 Ų119125.3 Ų125.383%0.83278%0.784SS**  trans-68.9125.2163.851.20000109.7
165V41.5Very low34.8Very low143 Ų143127.8 Ų127.887%0.86779%0.786SS**  trans-114.5117.4159.1177.30000106.5
166G34.7Very low34.6Very low76 Ų76131 Ų13178%0.78479%0.791SS**  trans-82.5156.2178.700000112.7
167G35Very low34.6Very low71 Ų71131.4 Ų131.473%0.73279%0.788SS**  trans175.284.3172.800000112.8
168S39.2Very low34.2Very low125 Ų125129 Ų12987%0.87478%0.783SS**  trans52117.6144.7-50.80000122.7
169F28.9Very low34.1Very low195 Ų195127 Ų12786%0.85578%0.784SS**  trans-62174.1160.6-71.3-78.3000113.9
170P37.4Very low34Very low117 Ų117126.9 Ų126.976%0.7678%0.779SS**  cis-145.6164.824.838.7-16.3000120.6
171N29.9Very low34Very low144 Ų144127.1 Ų127.177%0.7779%0.785SS**  trans24.8129.3149.3-74.4-0.4000121.2
172N34.1Very low33.9Very low145 Ų145129 Ų12978%0.77579%0.789SS**  -174.2145.386.7-1307000113.7
173S36.2Very low33.7Very low81 Ų81135.8 Ų135.857%0.56679%0.792SS**  trans66.9120148.139.40000122.8
174D34.2Very low33.4Very low153 Ų153135.9 Ų135.982%0.81879%0.793SS**  trans72.6133.5140.9-44.5-26.2000116.9
175E31.4Very low33.2Very low168 Ų168138.9 Ų138.979%0.78580%0.799SS**  cis-171153.518.1-176.3161.7108.900108
176E33.5Very low32.6Very low159 Ų159137.5 Ų137.574%0.74380%0.795SS**  trans76.1105.7159-83.1-170.5161.900125.5
177T32.9Very low32.3Very low125 Ų125141.6 Ų141.677%0.76780%0.798SS**  trans79.2123.3132.249.50000123.5
178P31.4Very low32Very low110 Ų110143.4 Ų143.471%0.71481%0.807SS**  trans-114.9161.6-176.741.9-31.5000114.9
179S32Very low31.7Very low108 Ų108143.1 Ų143.176%0.75580%0.804SS**  trans169.8114.3134.4450000111.7
180H32.1Very low31.8Very low165 Ų165142 Ų14276%0.76480%0.802SS**  60.710592.3-65.8-74.1000114.6
181T34.2Very low31.5Very low141 Ų141141 Ų14187%0.86580%0.803SS**  174.3102.7108.934.70000111.8
182N30.1Very low31.6Very low162 Ų162142.3 Ų142.387%0.86681%0.81SS**  trans-85.2144.1144.3-84.3-58.1000107.2
183R28.8Very low31.3Very low246 Ų246142.2 Ų142.293%0.92881%0.814SS**  trans97.680.9174.6-61.3177.3165.4153.3-3.3116.6
184A28.8Very low30.9Very low100 Ų100142.9 Ų142.983%0.82683%0.825SS**  trans-161.570.2151.900000110.9
185L30.6Very low30.6Very low183 Ų183141 Ų14196%0.95882%0.823SS**SBendtrans-141.925175.4-102.5167.9000113.5
186S29.2Very low30.5Very low113 Ų113139 Ų13979%0.7983%0.827SS**SBendtrans-133.520.8-174.8-163.50000116
187L29.3Very low30.1Very low162 Ų162137.8 Ų137.885%0.84883%0.834SS**  trans-133.913.4-177-73.5172.9000116.3S189L187-S189 PolarHBondContact O-N 2.89Å
188A28.5Very low29.9Very low110 Ų110136.2 Ų136.291%0.90983%0.834SS**  trans-93.416.3-17700000115.4
189S32.8Very low29.9Very low118 Ų118136.2 Ų136.283%0.82584%0.837SS**SBendtrans-107.12.3-171.6-168.80000115.9L187L187-S189 PolarHBondContact O-N 2.89Å
190E31.4Very low29.7Very low172 Ų172136.8 Ų136.880%0.80484%0.841SS**SBendtrans-125.36-168.6-71.2-177.9155.100116.2
191A30.1Very low29.6Very low96 Ų96133.6 Ų133.679%0.79384%0.837SS**SBendtrans-106.8-0.9-168.400000117.7
192L31.3Very low29.3Very low172 Ų172136 Ų13690%0.90184%0.836SS**SBendtrans-102.85.1-169.6-81161.5000116.3
193T28.5Very low29.4Very low142 Ų142137 Ų13787%0.87184%0.84SS**SBendtrans-96.216-175.523.30000116
194A28Very low29.2Very low96 Ų96133.1 Ų133.179%0.79384%0.837SS**SBendtrans-130-1.9-169.300000119.1
195S27.9Very low29.3Very low112 Ų112132.2 Ų132.278%0.78384%0.838SS**  trans-113.6-1.9-157.3-158.10000120.9
196C28.4Very low29.1Very low127 Ų127129.1 Ų129.186%0.85883%0.832SS**  trans-13161.8-171.7-60.30000114.6
197C25.3Very low29.2Very low133 Ų133128.5 Ų128.590%0.89983%0.833SS**  trans-117.295.1156.8-72.50000108.3
198A28.7Very low29.1Very low92 Ų92127.9 Ų127.976%0.7683%0.831SS**  trans-174134.5157.800000112.3
199S31.7Very low29.1Very low110 Ų110127.2 Ų127.277%0.76982%0.82SS**  trans92.494160.2-38.40000115.4
200S28.8Very low29.1Very low121 Ų121128.6 Ų128.685%0.84682%0.823SS**  58.5134.478-66.10000112.9
201S28.9Very low29Very low98 Ų98129.1 Ų129.169%0.68583%0.825SS**  cis177.6148.9-0.245.90000108.6
202K27.7Very low28.9Very low192 Ų192128 Ų12884%0.83582%0.824SS**  trans69.8124.7155.5-68.4176.1177.6178.40120.3
203L31.9Very low28.8Very low181 Ų181125.6 Ų125.695%0.94882%0.821SS**  -166.3130.1119.8-94168.1000110.2
204D25.7Very low29Very low165 Ų165126.2 Ų126.288%0.88282%0.818SS**  trans-82.5159-177.2-68.2-56000113.4
205G29.7Very low29.1Very low82 Ų82128.5 Ų128.585%0.84581%0.814SS**  trans168.196164.700000116.8
206S26.9Very low29.3Very low117 Ų117128.2 Ų128.282%0.81882%0.819SS**  trans-71.3142.6-179.8152.50000115.3
207A31.5Very low29.5Very low100 Ų100124.9 Ų124.983%0.82681%0.806SS**  trans-174.2138.413100000113.8
208N28Very low29.9Very low149 Ų149124.8 Ų124.880%0.79780%0.795SS**  trans-93154.9-169.5-73.5-49.3000114.7
209S28.4Very low30.2Very low96 Ų96127.5 Ų127.567%0.67180%0.796SS**  trans61.1111.8130.1-1800000120.6
210V31.7Very low30.3Very low147 Ų147126.3 Ų126.389%0.89179%0.792SS**  -145117.7126.6-174.70000110.1
211Q29.1Very low30.6Very low183 Ų183127.3 Ų127.386%0.85579%0.788SS**  trans-65.7151.7167.5-75162.9-87.400111.9
212G27.7Very low30.7Very low74 Ų74128.4 Ų128.476%0.76379%0.786SS**  trans144.5112.6141.600000116.1
213S30Very low31Very low121 Ų121129.6 Ų129.685%0.84679%0.785SS**  trans80.875.4145.5-164.40000119.2
214L31.9Very low31Very low155 Ų155130.1 Ų130.181%0.81278%0.78SS**  trans-158.934.9147.2-152.665.6000114.6
215M31.2Very low31.3Very low144 Ų144126 Ų12671%0.70977%0.769SS**SBendtrans-111.67.6-177.1-88.4-68.1-131.800115
216A32.7Very low31.6Very low106 Ų106127.7 Ų127.788%0.87676%0.763SS**SBendtrans-97-6-179.900000114.9
217G32.9Very low31.9Very low57 Ų57128.8 Ų128.859%0.58876%0.759SS**SBendtrans-100.8-20.2-17200000116.9
218I33.5Very low32Very low130 Ų130132.3 Ų132.367%0.66776%0.763SS**G310 helixtrans-101.1-8.6-163.4-62.2178.5000113.1A220I218-A220 VanDerWaalsContact C-N 3.3Å; I218-A220 PolarHBondContact O-N 2.95Å
219L34.2Very low32.1Very low150 Ų150130 Ų13079%0.78577%0.765SS**G310 helixtrans-80-0.8177.9-83157.2000115
220A34.6Very low32.3Very low84 Ų84134.6 Ų134.669%0.69477%0.773SS**G310 helixtrans-96-12.1-178.600000115I218I218-A220 VanDerWaalsContact C-N 3.3Å; I218-A220 PolarHBondContact O-N 2.95Å
221L33.9Very low32.3Very low142 Ų142136.2 Ų136.274%0.74378%0.776SS**SBendtrans-96.5-18.3-172.8-74.2161.5000114.3R223L221-R223 VanDerWaalsContact C-N 3.31Å; L221-R223 PolarHBondContact O-N 3.43Å
222N32.2Very low32.4Very low121 Ų121138.9 Ų138.965%0.64778%0.778SS**THydrogen-bonded Turntrans-85.35.2-173.5-149.411.5000114.9
223R33.6Very low32.4Very low217 Ų217141 Ų14182%0.81978%0.778SS**THydrogen-bonded Turntrans-98.2-6.1176.6-79.1-173.3-172.1-175.73.5114.7L221L221-R223 VanDerWaalsContact C-N 3.31Å; L221-R223 PolarHBondContact O-N 3.43Å
224K32.5Very low32.5Very low192 Ų192141.1 Ų141.184%0.83578%0.776SS**SBendtrans-100.3-14-178.4-89.6179.8174.9179.90115.2T226K224-T226 PolarHBondContact O-N 3.33Å
225A32Very low32.4Very low79 Ų79139.8 Ų139.865%0.65378%0.78SS**G310 helixtrans-81.9-8.6-177.300000114.8
226T35.3Very low32.4Very low118 Ų118136.2 Ų136.272%0.72478%0.779SS**G310 helixtrans-958.8-174.633.30000115.4K224K224-T226 PolarHBondContact O-N 3.33Å
227N33.1Very low32.2Very low139 Ų139139.3 Ų139.374%0.74378%0.78SS**G310 helixtrans-111.19180-81.2-57.5000115.5
228L32.9Very low32Very low174 Ų174141.4 Ų141.491%0.91178%0.783SS**  trans-109.854-175.6-135.376.6000112.9
229A31.9Very low31.7Very low100 Ų100140.9 Ų140.983%0.82679%0.789SS**SBendtrans-137.319.4175.400000113.9
230K31.7Very low31.4Very low194 Ų194143.5 Ų143.584%0.84379%0.794SS**  trans-134.866.8179.3-83.4-177.1176.2174.60112.3
231L31.8Very low31.2Very low181 Ų181144 Ų14495%0.94879%0.793SS**  trans-146123155-74.8179.8000110.1
232R30.3Very low31Very low239 Ų239146.6 Ų146.690%0.90280%0.798SS**PPolyproline II helixtrans-80.8145.3178.7-177.6-179.4-169.9164.11.5109.3
233P29.1Very low30.7Very low118 Ų118148.7 Ų148.777%0.76681%0.808SS**PPolyproline II helixtrans-88.4145.2-175.334.5-31.5000111.7
234P32.3Very low30.4Very low124 Ų124143.8 Ų143.881%0.80581%0.807SS**PPolyproline II helixtrans-99.9144.2153.932.2-20.4000111.1
235S29.4Very low30.2Very low127 Ų127141.9 Ų141.989%0.88880%0.804SS**PPolyproline II helixtrans-58.8146.1177.341.20000116
236G30.2Very low30.1Very low68 Ų68147.5 Ų147.570%0.70181%0.814SS**  trans140.7116.214800000117
237L28.8Very low29.9Very low172 Ų172148.4 Ų148.490%0.90182%0.819SS**  trans85.3149.9144.3-75.4153.7000119.6
238P28.9Very low29.6Very low100 Ų100148 Ų14865%0.64982%0.822SS**  -132-155.8-112.348.1-29.8000113.2
239P27.2Very low29.6Very low120 Ų120149.1 Ų149.178%0.77982%0.82SS**  trans-83.9143.9-132.937.1-20.3000114.4
240F29.2Very low29.5Very low205 Ų205149.9 Ų149.990%0.89981%0.814SS**  trans-113.4125.4167.8-93.9-86.2000112.5
241S29.2Very low29.7Very low95 Ų95148.7 Ų148.766%0.66481%0.811SS**  trans-71.4150.417942.60000114.5
242K28.9Very low29.8Very low196 Ų196147 Ų14785%0.85280%0.804SS**  trans55.3108.1148.9-68.5179.4178.2177.30117.7
243L26.4Very low30.2Very low164 Ų164141.6 Ų141.686%0.85980%0.802SS**  trans-117.9106.2146.8-119.484.4000108.9
244S27.1Very low30.6Very low115 Ų115145.3 Ų145.380%0.80481%0.809SS**  trans-85.6121.7159.9-71.50000107.7
245I28.9Very low30.7Very low151 Ų151144.8 Ų144.877%0.77481%0.806SS**  trans-95.3111.7169.4-64.5175.3000107.3
246K30.7Very low31Very low198 Ų198143.9 Ų143.986%0.86180%0.8SS**  trans-109.1125.3170.1-157.1172.9-176.1-178.30107.4
247V31Very low31.3Very low136 Ų136149.3 Ų149.382%0.82481%0.807SS**  trans-61.4134.5-177.7174.90000110.9
248T26.7Very low31.7Very low132 Ų132149.5 Ų149.581%0.8180%0.803SS**  trans-81.3142.7-178.941.20000112.7
249K32.9Very low32.1Very low197 Ų197151.5 Ų151.586%0.85781%0.808SS**  trans-130.3109.7150.5-121.5-176.1-179.7-179.70107.4
250T29.4Very low32.8Very low115 Ų115149.9 Ų149.971%0.70680%0.8SS**  trans42.9137.6144.328.90000122.7
251E36.5Very low33.1Very low169 Ų169148.2 Ų148.279%0.7980%0.795SS**  trans101.692.3151.4-68.7166.4-174.300118.7
252D33.3Very low33.5Very low147 Ų147152.3 Ų152.379%0.78680%0.801SS**  64.7119.7122.6-57.1-23.5000122.9
253S38.3Very low33.9Very low125 Ų125148.4 Ų148.487%0.87479%0.793SS**  trans116.8130.7139.6-51.60000117
254E36.9Very low34.5Very low195 Ų195145.2 Ų145.291%0.91178%0.784SS**  trans-76.4171.4-157.7-90.1-163.8113.900118.3
255P35.2Very low35.1Very low113 Ų113144.5 Ų144.573%0.73478%0.779SS**  trans-117.6174.7-156.742.5-29.8000115.7
256S36.2Very low35.8Very low109 Ų109143.8 Ų143.876%0.76278%0.777SS**  trans-169103.3155.955.10000108.6
257E35.3Very low36.3Very low181 Ų181141.5 Ų141.585%0.84677%0.774SS**  73.6139.986.9-78.5-154.5142.400116.5
258Q37.1Very low36.5Very low177 Ų177138.1 Ų138.183%0.82777%0.767SS**  trans89.1137.5168.6-60.7178.33.300117.7
259D37.8Very low37.2Very low142 Ų142141 Ų14176%0.75977%0.77SS**  cis-174161.1-20.3-146.2-32.2000106.5
260S41.5Very low37.6Very low85 Ų85136.8 Ų136.859%0.59477%0.766SS**  trans80.9101.5147.4-56.10000123
261E36.6Very low38.5Very low171 Ų171136.8 Ų136.880%0.79977%0.768SS**  75139.1110.3-72.5-162120.500125
262K37.1Very low38.6Very low181 Ų181140.7 Ų140.779%0.78778%0.776SS**  trans80.4146.2147.4-84.6-168.7174.2-1680119.6
263V37.2Very low38.9Very low114 Ų114137.6 Ų137.669%0.69178%0.778SS**  cis-179.7159.1-17.5123.70000106.4
264S39.5Very low39.1Very low96 Ų96137.1 Ų137.167%0.67178%0.775SS**  trans76.312015454.30000122.7
265S39.5Very low39.3Very low100 Ų100133.8 Ų133.870%0.69977%0.773SS**  29.1143.112550.90000119.5
266D42.4Very low39.5Very low137 Ų137133.5 Ų133.573%0.73377%0.773SS**  -173164.758.2-131.5-21000113.6
267D41.6Very low39.8Very low150 Ų150133.5 Ų133.580%0.80277%0.773SS**  trans1142.2163.2-68.5-41.6000124.9
268G35.8Very low40.2Very low64 Ų64131.9 Ų131.966%0.6678%0.776SS**  120.7132.7112.200000120.2
269H41.1Very low40.3Very low192 Ų192127.2 Ų127.289%0.88978%0.776SS**  trans94110.2149.8-72.469.1000121.4
270S41.5Very low40.4Very low110 Ų110124.5 Ų124.577%0.76978%0.781SS**  trans-77.5165.6147.1-65.90000110.9
271P47.2Very low40.1Very low114 Ų114124.7 Ų124.774%0.7480%0.796SS**  -154.4155.6100.535.7-15.9000117.9
272R39.3Very low40.2Very low252 Ų252120.3 Ų120.395%0.95180%0.797SS**  trans46.6133.7136.4-65.5178170.8-150.2-3122.7
273G39.7Very low40.2Very low81 Ų81115.6 Ų115.684%0.83580%0.8SS**  trans-168125.5152.600000112
274S41.9Very low40Very low115 Ų115114.4 Ų114.480%0.80481%0.811SS**  trans-93157.8-162.1-41.70000115
275S42.3Very low39.8Very low126 Ų126113.4 Ų113.488%0.88182%0.816SS**  160.3154.2114.651.30000114.1
276S39Very low39.6Very low106 Ų106112.1 Ų112.174%0.74182%0.818SS**  trans-88.9154-158.647.80000116.6
277S43.3Very low39.1Very low109 Ų109109.5 Ų109.576%0.76282%0.824SS**  171119111.345.60000114
278T41.9Very low39Very low148 Ų148108.9 Ų108.991%0.90883%0.825SS**  trans34.6123.4140.231.70000123
279G40.2Very low39.2Very low79 Ų79114 Ų11481%0.81483%0.834SS**  137.2118.3123.300000116.8
280G40.4Very low38.8Very low84 Ų84109.7 Ų109.787%0.86683%0.831SS**  trans107.111115200000116.1
281G34.9Very low38.7Very low89 Ų89113.8 Ų113.892%0.91884%0.836SS**  trans-73.7162.3-179.400000115.3
282G38.1Very low38.3Very low79 Ų79113.9 Ų113.981%0.81483%0.83SS**  trans-179119.317100000109.3
283G37.3Very low38.8Very low83 Ų83108 Ų10886%0.85683%0.825SS**  trans-63.8157.6-164.300000116.2
284G33Very low38.8Very low89 Ų89108.8 Ų108.892%0.91882%0.817SS**  trans-65.5134.8176.700000113.3
285G35Very low38.8Very low75 Ų75109.1 Ų109.177%0.77381%0.81SS**  trans-127.6107.6158.700000107.2G287G285-G287 PolarHBondContact O-N 3.42Å
286G35.5Very low39.2Very low73 Ų73108 Ų10875%0.75380%0.8SS**  trans-60.4131.2170.500000109.5V288G286-V288 PolarHBondContact O-N 2.99Å
287G31.5Very low40.1Very low82 Ų82108.7 Ų108.785%0.84580%0.801SS**  trans-60.896.6179.600000111.5G285 M289G285-G287 PolarHBondContact O-N 3.42Å; G287-M289 PolarHBondContact O-N 3.3Å
288V39.8Very low41.1Very low136 Ų136109.5 Ų109.582%0.82480%0.801SS**  trans-68.3114.5153.9-1070000106.4G286 A290G286-V288 PolarHBondContact O-N 2.99Å; V288-A290 PolarHBondContact O-N 2.96Å
289M39.7Very low42.7Very low173 Ų173109.6 Ų109.685%0.85279%0.785SS**  trans-50.4115.4168.9-68.3-70.5-139.200108.3G287 F291G287-M289 PolarHBondContact O-N 3.3Å; M289-F291 PolarHBondContact O-N 3.24Å; M289-F291 VanDerWaalsContact O-N 3.14Å
290A33.6Very low44.4Very low101 Ų101106.1 Ų106.184%0.83575%0.748SS**  trans-66.2110.5174.800000108.5V288 N292V288-A290 PolarHBondContact O-N 2.96Å; A290-N292 PolarHBondContact O-N 3.47Å
291F39.2Very low46.4Very low196 Ų196102.3 Ų102.386%0.8671%0.708SS**  trans-66.2119.8168.1-80-86.8000108.6M289 P293M289-F291 PolarHBondContact O-N 3.24Å; M289-F291 VanDerWaalsContact O-N 3.14Å; F291-P293 WeakPolarHBondContact O-CD 3.49Å
292N39Very low48.5Very low115 Ų115101.2 Ų101.262%0.61568%0.683SS**  trans-69.2123171.8-117.3-18.7000108.3A290 S294 D295A290-N292 PolarHBondContact O-N 3.47Å; N292-S294 PolarHBondContact O-N 2.91Å; N292-D295 PolarHBondContact O-N 3.38Å
293P49.6Very low50.4Low130 Ų130101.5 Ų101.584%0.84467%0.671SS**THydrogen-bonded Turntrans-67.31.2179.8-17.530.7000114.7F291F291-P293 WeakPolarHBondContact O-CD 3.49Å
294S40.1Very low52.3Low97 Ų97104.1 Ų104.168%0.67866%0.661SS**THydrogen-bonded Turntrans-96-12.8-174.3-35.20000113.7N292N292-S294 PolarHBondContact O-N 2.91Å
295D40.5Very low54.5Low122 Ų122101 Ų10165%0.65263%0.625SS**SBendtrans-79.1127177.4-72.4-36.5000109.3N292N292-D295 PolarHBondContact O-N 3.38Å
296P51.8Low56.6Low102 Ų10297.4 Ų97.466%0.66259%0.588SS**PPolyproline II helixtrans-58141177.724.5-32.3000109.2V298P296-V298 PolarHBondContact O-N 3.13Å
297P57.3Low58.7Low120 Ų12098.1 Ų98.178%0.77957%0.574SS**PPolyproline II helixtrans-55.8121.2-179.722.6-32.1000109R299P297-R299 PolarHBondContact O-N 2.92Å
298V65.9Low61.3Low126 Ų12694.3 Ų94.376%0.76453%0.534SS*.  trans-61.5107178.6-179.70000107.5P296P296-V298 PolarHBondContact O-N 3.13Å
299R73.7Confident63.2Low151 Ų15192.9 Ų92.957%0.5752%0.518SS*.  trans-66142.3176-68.9-171179.7-141.91.9109.7P297 L301P297-R299 PolarHBondContact O-N 2.92Å; R299-L301 VanDerWaalsContact C-N 3.31Å; R299-L301 PolarHBondContact O-N 2.88Å
300I77.2Confident65.1Low6 Ų685 Ų853%0.03148%0.479CS..SBendtrans-63.3-40.8178-66.1163.1000111.2V343 L436 F456 Q459 E463I300-V343 HydrophobicContact CG2-CG1 3.81Å; I300-L436 HydrophobicContact CG2-CD1 3.57Å; I300-F456 HydrophobicContact CD1-CE2 4.46Å; I300-F456 HydrophobicContact CG2-CE2 4.43Å; I300-F456 HydrophobicContact CG2-CZ 4.24Å; I300-Q459 HydrophobicContact CD1-CB 4.17Å; I300-Q459 HydrophobicContact CD1-CG 3.58Å; I300-Q459 HydrophobicContact CG1-CG 4.35Å; I300-E463 WeakPolarHBondContact CG1-OE1 3.13Å; I300-E463 PolarHBondContact N-OE1 3.06Å; I300-E463 PolarHBondContact N-OE2 3.23Å
301L82.4Confident66.9Low4 Ų482.7 Ų82.72%0.02146%0.456CS..  trans-121132.5179.2-67.1174.4000110.5R299 W339 V343 G432 Y433 L436R299-L301 VanDerWaalsContact C-N 3.31Å; R299-L301 PolarHBondContact O-N 2.88Å; L301-W339 HydrophobicContact CD2-CH2 4.33Å; L301-W339 HydrophobicContact CD2-CZ2 4.07Å; L301-V343 HydrophobicContact CD2-CG1 4.19Å; L301-V343 HydrophobicContact CD2-CG2 4.04Å; L301-G432 VanDerWaalsContact CD1-C 3.48Å; L301-Y433 HydrophobicContact CD1-CD1 4.25Å; L301-Y433 HydrophobicContact CD1-CD2 4.28Å; L301-Y433 HydrophobicContact CD1-CE1 4.35Å; L301-Y433 HydrophobicContact CD1-CE2 4.37Å; L301-Y433 HydrophobicContact CD1-CG 4.2Å; L301-L436 HydrophobicContact CD1-CD1 3.76Å; L301-L436 HydrophobicContact CD2-CD1 4.22Å; L301-L436 HydrophobicContact CG-CD1 3.9Å
302T78.9Confident68.2Low65 Ų6574.7 Ų74.740%0.39942%0.423SS..  trans-95.315716163.90000109Q304 S305 A306T302-Q304 PolarHBondContact O-N 2.76Å; T302-Q304 VanDerWaalsContact O-N 3.14Å; T302-S305 PolarHBondContact N-OG 3.14Å; T302-S305 PolarHBondContact O-N 2.99Å; T302-S305 PolarHBondContact O-OG 2.63Å; T302-S305 PolarHBondContact OG1-N 3.18Å; T302-S305 VanDerWaalsContact OG1-N 3.16Å; T302-S305 PolarHBondContact OG1-OG 2.7Å; T302-A306 PolarHBondContact O-N 2.78Å
303P78.6Confident69.3Low86 Ų8671.1 Ų71.156%0.55841%0.406SS*.THydrogen-bonded Turntrans-52.9-34.5173.7-27.135.7000112.6A306P303-A306 PolarHBondContact O-N 2.99Å
304Q75.4Confident69.8Low137 Ų13771.8 Ų71.864%0.6440%0.402SS*.THydrogen-bonded Turntrans-70.4-37.9177.2-63.376.919.800112.6T302 A306 I307T302-Q304 PolarHBondContact O-N 2.76Å; T302-Q304 VanDerWaalsContact O-N 3.14Å; Q304-A306 VanDerWaalsContact C-N 3.26Å; Q304-A306 PolarHBondContact O-N 2.69Å; Q304-I307 WeakPolarHBondContact O-CG1 3.46Å
305S79.4Confident70.6Confident24 Ų2472.7 Ų72.717%0.16841%0.405CS..THydrogen-bonded Turntrans-76.4-16.4176.370.60000112.9T302 I307 W339T302-S305 PolarHBondContact N-OG 3.14Å; T302-S305 PolarHBondContact O-N 2.99Å; T302-S305 PolarHBondContact O-OG 2.63Å; T302-S305 PolarHBondContact OG1-N 3.18Å; T302-S305 VanDerWaalsContact OG1-N 3.16Å; T302-S305 PolarHBondContact OG1-OG 2.7Å; S305-I307 VanDerWaalsContact C-N 3.35Å; S305-W339 PolarHBondContact O-NE1 3.12Å
306A80.5Confident71.6Confident0 Ų070.5 Ų70.50%039%0.394CS..THydrogen-bonded Turntrans-80.7-15.4178.500000113.5T302 P303 Q304 F308 D428 V429T302-A306 PolarHBondContact O-N 2.78Å; P303-A306 PolarHBondContact O-N 2.99Å; Q304-A306 VanDerWaalsContact C-N 3.26Å; Q304-A306 PolarHBondContact O-N 2.69Å; A306-F308 PolarHBondContact O-N 3.34Å; A306-D428 HydrophobicContact CB-CB 4.32Å; A306-V429 HydrophobicContact CB-CB 4.33Å; A306-V429 HydrophobicContact CB-CG2 3.77Å
307I79.8Confident72.1Confident87 Ų8767.8 Ų67.845%0.44638%0.376SS..  trans-57.8127-179.4-59.2174.4000109.7Q304 S305 E309Q304-I307 WeakPolarHBondContact O-CG1 3.46Å; S305-I307 VanDerWaalsContact C-N 3.35Å; I307-E309 HydrophobicContact CG2-CG 3.98Å
308F85.3Confident72.1Confident3 Ų368.1 Ų68.11%0.01338%0.381CS..  trans-139.779.4-177.8-170.2-94.6000109.3A306 L332 L335 W339 G369 Q372A306-F308 PolarHBondContact O-N 3.34Å; F308-L332 HydrophobicContact CE1-CD1 3.6Å; F308-L332 HydrophobicContact CZ-CD1 3.8Å; F308-L335 HydrophobicContact CD1-CD2 4.3Å; F308-L335 HydrophobicContact CD2-CD2 4.26Å; F308-L335 HydrophobicContact CD2-CG 4.12Å; F308-L335 HydrophobicContact CE1-CD2 4.02Å; F308-L335 HydrophobicContact CE2-CB 4.47Å; F308-L335 HydrophobicContact CE2-CD2 4Å; F308-L335 HydrophobicContact CE2-CG 3.66Å; F308-L335 HydrophobicContact CG-CD2 4.41Å; F308-L335 HydrophobicContact CZ-CB 4.44Å; F308-L335 HydrophobicContact CZ-CD2 3.86Å; F308-L335 HydrophobicContact CZ-CG 3.89Å; F308-W339 HydrophobicContact CD2-CB 3.85Å; F308-W339 AromaticContact CD2-CD1 3.76Å; F308-W339 HydrophobicContact CD2-CD2 4.24Å; F308-W339 AromaticContact CD2-CG 3.64Å; F308-W339 HydrophobicContact CD2-CG 3.64Å; F308-W339 HydrophobicContact CE2-CB 3.85Å; F308-W339 HydrophobicContact CE2-CG 4.08Å; F308-G369 VanDerWaalsContact CE1-CA 3.48Å; F308-Q372 HydrophobicContact CD1-CB 4.34Å; F308-Q372 HydrophobicContact CD1-CG 4.28Å
309E78.8Confident71.9Confident105 Ų10566.9 Ų66.949%0.49137%0.374SS..  trans-109.5131.3-178.3-67.8-176.6172.100110I307 P311 L335I307-E309 HydrophobicContact CG2-CG 3.98Å; E309-P311 WeakPolarHBondContact O-CD 3.47Å; E309-L335 VanDerWaalsContact O-CD2 3.29Å; E309-L335 WeakPolarHBondContact O-CD2 3.47Å
310L80Confident71.5Confident7 Ų762.8 Ų62.84%0.03736%0.362CS..  trans-96119.8177.1-176.465.3000108.4V312 T328 R331 L332 L335 Q376 F377 F521L310-V312 VanDerWaalsContact C-N 3.32Å; L310-V312 HydrophobicContact CD2-CG2 4.41Å; L310-V312 HydrophobicContact CG-CG2 4.39Å; L310-V312 WeakPolarHBondContact O-CG2 3.39Å; L310-V312 PolarHBondContact O-N 3.01Å; L310-T328 HydrophobicContact CD2-CG2 3.61Å; L310-R331 HydrophobicContact CD1-CB 3.74Å; L310-L332 HydrophobicContact CD1-CB 4.32Å; L310-L332 HydrophobicContact CD2-CB 4.05Å; L310-L332 HydrophobicContact CD2-CD1 4.46Å; L310-L335 HydrophobicContact CB-CD2 4.19Å; L310-L335 HydrophobicContact CD1-CD2 4.07Å; L310-Q376 PolarHBondContact O-OE1 2.85Å; L310-Q376 VanDerWaalsContact O-OE1 3.1Å; L310-F377 HydrophobicContact CD2-CD1 4.39Å; L310-F377 HydrophobicContact CD2-CE1 4.33Å; L310-F521 HydrophobicContact CD1-CE1 4.35Å
311P71.8Confident71.3Confident54 Ų5464.5 Ų64.535%0.35137%0.372SS..  trans-66.392.8169.2-21.333.9000109.9E309 R331 F521E309-P311 WeakPolarHBondContact O-CD 3.47Å; P311-R331 PolarHBondContact O-NH1 3.44Å; P311-F521 HydrophobicContact CB-CD1 4.15Å; P311-F521 HydrophobicContact CG-CD1 3.7Å; P311-F521 HydrophobicContact CG-CE1 4.08Å; P311-F521 HydrophobicContact CG-CG 4.34Å
312V66.6Low71Confident28 Ų2865.9 Ų65.917%0.1738%0.378CS..  trans-75130.8-178.9-178.70000109.6L310 L314 Y324 Q376 F377L310-V312 VanDerWaalsContact C-N 3.32Å; L310-V312 HydrophobicContact CD2-CG2 4.41Å; L310-V312 HydrophobicContact CG-CG2 4.39Å; L310-V312 WeakPolarHBondContact O-CG2 3.39Å; L310-V312 PolarHBondContact O-N 3.01Å; V312-L314 PolarHBondContact O-N 3.26Å; V312-L314 VanDerWaalsContact O-N 3.11Å; V312-Y324 HydrophobicContact CG1-CE2 4.24Å; V312-Y324 WeakPolarHBondContact CG1-OH 3.48Å; V312-Q376 HydrophobicContact CG2-CB 3.9Å; V312-F377 HydrophobicContact CG1-CB 4.41Å; V312-F377 HydrophobicContact CG2-CD1 4.46Å
313P61.4Low70.8Confident40 Ų4068.4 Ų68.426%0.2639%0.386SS..  trans-61.8114171.8-16.528.1000110.7Y324 E327P313-Y324 HydrophobicContact CB-CE2 4.44Å; P313-Y324 WeakPolarHBondContact O-CE2 3.24Å; P313-E327 HydrophobicContact CG-CG 4.45Å
314L60.5Low70.9Confident143 Ų14365.3 Ų65.375%0.74936%0.363SS*.SBendtrans-86.8146.5169.3-67.9170.3000110V312 L316V312-L314 PolarHBondContact O-N 3.26Å; V312-L314 VanDerWaalsContact O-N 3.11Å; L314-L316 HydrophobicContact CD2-CD1 3.76Å
315P57.8Low71.3Confident116 Ų11659 Ų5975%0.75333%0.333SS*.SBendcis-80.7149.6-0.132.6-34.3000112.8
316L61.5Low71.4Confident77 Ų7757.8 Ų57.840%0.40333%0.325SS..PPolyproline II helixtrans-59.5135.1171.3-72110.7000110.3L314 S318 F377L314-L316 HydrophobicContact CD2-CD1 3.76Å; L316-S318 PolarHBondContact O-N 3.31Å; L316-F377 HydrophobicContact CD2-CB 4.38Å
317P60.9Low71.5Confident45 Ų4561.2 Ų61.229%0.29234%0.341SS..PPolyproline II helixtrans-69.7132.1-179.630.3-35.6000110.3V319 N321 Y324P317-V319 WeakPolarHBondContact CB-O 3.2Å; P317-V319 PolarHBondContact O-N 3.48Å; P317-N321 HydrophobicContact CB-CB 3.98Å; P317-N321 HydrophobicContact CG-CB 4.26Å; P317-Y324 HydrophobicContact CG-CD1 3.5Å; P317-Y324 HydrophobicContact CG-CD2 4.06Å; P317-Y324 HydrophobicContact CG-CE1 3.89Å; P317-Y324 HydrophobicContact CG-CE2 4.38Å; P317-Y324 HydrophobicContact CG-CG 3.58Å
318S57.6Low71.7Confident126 Ų12657.3 Ų57.388%0.88132%0.322SS*.SBendtrans-73.2-11.8175.754.90000113.6L316L316-S318 PolarHBondContact O-N 3.31Å
319V62.3Low71.8Confident101 Ų10157.3 Ų57.361%0.61232%0.322SS*.SBendtrans-130.5153.7179.8-68.30000109.7P317 N321P317-V319 WeakPolarHBondContact CB-O 3.2Å; P317-V319 PolarHBondContact O-N 3.48Å; V319-N321 PolarHBondContact O-N 3.11Å
320L65.1Low72.2Confident64 Ų6454.1 Ų54.134%0.33531%0.311SS..  trans-57.2104.3177.3-170.780.3000110.1I325 A385 M386L320-I325 HydrophobicContact CD1-CD1 3.56Å; L320-I325 HydrophobicContact CG-CD1 4Å; L320-A385 HydrophobicContact CB-CB 4.39Å; L320-A385 HydrophobicContact CD1-CB 3.91Å; L320-M386 HydrophobicContact CD1-CG 4.17Å
321N72.8Confident72.6Confident43 Ų4356.3 Ų56.323%0.2332%0.319CS..  trans-109.3107.4179.4-177.5-14.4000109.3P317 V319 Q323 Y324 I325P317-N321 HydrophobicContact CB-CB 3.98Å; P317-N321 HydrophobicContact CG-CB 4.26Å; V319-N321 PolarHBondContact O-N 3.11Å; N321-Q323 PolarHBondContact O-N 3.43Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.12Å; N321-Q323 PolarHBondContact OD1-N 3.32Å; N321-Y324 WeakPolarHBondContact O-CB 3.29Å; N321-Y324 PolarHBondContact O-N 2.96Å; N321-Y324 VanDerWaalsContact O-N 3.11Å; N321-Y324 PolarHBondContact OD1-N 3.15Å; N321-I325 WeakPolarHBondContact O-CG1 3.34Å; N321-I325 PolarHBondContact O-N 3.04Å
322M75.8Confident73.5Confident32 Ų3253.8 Ų53.816%0.15830%0.302CS..Hα-helixtrans-59.1-35.7-179.8-172.559.865.200112.5F53 Y324 I325 C326F53-M322 HydrophobicContact CB-CE 4.13Å; F53-M322 HydrophobicContact CD2-CE 3.32Å; F53-M322 HydrophobicContact CE2-CE 4Å; F53-M322 HydrophobicContact CG-CE 4.04Å; M322-Y324 VanDerWaalsContact C-N 3.33Å; M322-Y324 PolarHBondContact O-N 2.97Å; M322-I325 PolarHBondContact O-N 3.34Å; M322-C326 WeakPolarHBondContact O-CB 3.39Å; M322-C326 PolarHBondContact O-N 2.98Å; M322-C326 PolarHBondContact O-SG 2.86Å
323Q75Confident74.7Confident118 Ų11852.8 Ų52.855%0.55130%0.296SS*.Hα-helixtrans-65.4-41177.9-62.1-179.4-50.800111.1N321 C326 E327N321-Q323 PolarHBondContact O-N 3.43Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.12Å; N321-Q323 PolarHBondContact OD1-N 3.32Å; Q323-C326 PolarHBondContact O-N 3.19Å; Q323-E327 VanDerWaalsContact O-CB 3.24Å; Q323-E327 WeakPolarHBondContact O-CB 3.32Å; Q323-E327 PolarHBondContact O-N 3.05Å
324Y80.8Confident76Confident21 Ų2151.1 Ų51.18%0.08229%0.285CS..Hα-helixtrans-64.9-44.5175.7175.2-93.4000111.7V312 P313 P317 N321 M322 C326 E327 T328 F377V312-Y324 HydrophobicContact CG1-CE2 4.24Å; V312-Y324 WeakPolarHBondContact CG1-OH 3.48Å; P313-Y324 HydrophobicContact CB-CE2 4.44Å; P313-Y324 WeakPolarHBondContact O-CE2 3.24Å; P317-Y324 HydrophobicContact CG-CD1 3.5Å; P317-Y324 HydrophobicContact CG-CD2 4.06Å; P317-Y324 HydrophobicContact CG-CE1 3.89Å; P317-Y324 HydrophobicContact CG-CE2 4.38Å; P317-Y324 HydrophobicContact CG-CG 3.58Å; N321-Y324 WeakPolarHBondContact O-CB 3.29Å; N321-Y324 PolarHBondContact O-N 2.96Å; N321-Y324 VanDerWaalsContact O-N 3.11Å; N321-Y324 PolarHBondContact OD1-N 3.15Å; M322-Y324 VanDerWaalsContact C-N 3.33Å; M322-Y324 PolarHBondContact O-N 2.97Å; Y324-C326 VanDerWaalsContact C-N 3.33Å; Y324-C326 PolarHBondContact O-N 3.15Å; Y324-E327 PolarHBondContact O-N 2.93Å; Y324-T328 VanDerWaalsContact O-CB 3.26Å; Y324-T328 WeakPolarHBondContact O-CB 3.28Å; Y324-T328 PolarHBondContact O-N 2.97Å; Y324-T328 PolarHBondContact O-OG1 3.06Å; Y324-F377 HydrophobicContact CE1-CB 4.34Å
325I83.8Confident77.4Confident4 Ų445.7 Ų45.72%0.02126%0.256CS..Hα-helixtrans-58.4-49176.6-69.2157.7000110L320 N321 M322 T328 A329 M382 M386 F495L320-I325 HydrophobicContact CD1-CD1 3.56Å; L320-I325 HydrophobicContact CG-CD1 4Å; N321-I325 WeakPolarHBondContact O-CG1 3.34Å; N321-I325 PolarHBondContact O-N 3.04Å; M322-I325 PolarHBondContact O-N 3.34Å; I325-T328 PolarHBondContact O-N 2.87Å; I325-A329 VanDerWaalsContact O-CB 3.22Å; I325-A329 WeakPolarHBondContact O-CB 3.35Å; I325-A329 PolarHBondContact O-N 3.17Å; I325-M382 HydrophobicContact CG1-SD 3.87Å; I325-M386 HydrophobicContact CD1-CE 3.59Å; I325-M386 HydrophobicContact CG1-CE 4.21Å; I325-M386 HydrophobicContact CG2-CE 3.8Å; I325-F495 HydrophobicContact CG2-CD1 4.01Å
326C82.3Confident79.1Confident0 Ų040.3 Ų40.30%022%0.221CC..Hα-helixtrans-67.4-40.9-179-63.40000113M322 Q323 Y324 T328 A329 S330 F495 G498 L499M322-C326 WeakPolarHBondContact O-CB 3.39Å; M322-C326 PolarHBondContact O-N 2.98Å; M322-C326 PolarHBondContact O-SG 2.86Å; Q323-C326 PolarHBondContact O-N 3.19Å; Y324-C326 VanDerWaalsContact C-N 3.33Å; Y324-C326 PolarHBondContact O-N 3.15Å; C326-T328 VanDerWaalsContact C-N 3.35Å; C326-A329 PolarHBondContact O-N 2.95Å; C326-S330 WeakPolarHBondContact O-CB 3.38Å; C326-S330 PolarHBondContact O-N 2.95Å; C326-S330 PolarHBondContact O-OG 3.11Å; C326-F495 VanDerWaalsContact CA-O 3.24Å; C326-F495 WeakPolarHBondContact CA-O 3.27Å; C326-F495 PolarHBondContact SG-O 3.26Å; C326-G498 VanDerWaalsContact SG-CA 3.52Å; C326-G498 PolarHBondContact SG-N 2.85Å; C326-L499 HydrophobicContact CB-CB 4.16Å; C326-L499 HydrophobicContact CB-CD1 3.49Å; C326-L499 VanDerWaalsContact CB-CD1 3.49Å; C326-L499 HydrophobicContact CB-CG 3.52Å; C326-L499 VanDerWaalsContact O-CD1 3.32Å; C326-L499 WeakPolarHBondContact O-CD1 3.48Å
327E80.8Confident80.4Confident72 Ų7236.8 Ų36.834%0.33620%0.203SC..Hα-helixtrans-63.9-41.6175.7179.163.6-167.600111.3P313 Q323 Y324 S330 R331P313-E327 HydrophobicContact CG-CG 4.45Å; Q323-E327 VanDerWaalsContact O-CB 3.24Å; Q323-E327 WeakPolarHBondContact O-CB 3.32Å; Q323-E327 PolarHBondContact O-N 3.05Å; Y324-E327 PolarHBondContact O-N 2.93Å; E327-S330 WeakPolarHBondContact CA-OG 3.3Å; E327-S330 PolarHBondContact O-OG 3.36Å; E327-R331 WeakPolarHBondContact O-CB 3.35Å; E327-R331 VanDerWaalsContact O-CG 3.23Å; E327-R331 WeakPolarHBondContact O-CG 3.25Å; E327-R331 PolarHBondContact O-N 3.43Å; E327-R331 IonicContact OE1-CZ 3.82Å; E327-R331 IonicContact OE1-NE 3.14Å; E327-R331 PolarHBondContact OE1-NE 3.08Å; E327-R331 IonicContact OE1-NH2 3.66Å; E327-R331 PolarHBondContact OE1-NH2 2.72Å
328T84.8Confident81.6Confident5 Ų537 Ų373%0.03120%0.201CC..Hα-helixtrans-65.7-44.6176.7-55.70000110.4L310 Y324 I325 C326 L332 F377L310-T328 HydrophobicContact CD2-CG2 3.61Å; Y324-T328 VanDerWaalsContact O-CB 3.26Å; Y324-T328 WeakPolarHBondContact O-CB 3.28Å; Y324-T328 PolarHBondContact O-N 2.97Å; Y324-T328 PolarHBondContact O-OG1 3.06Å; I325-T328 PolarHBondContact O-N 2.87Å; C326-T328 VanDerWaalsContact C-N 3.35Å; T328-L332 WeakPolarHBondContact O-CB 3.49Å; T328-L332 PolarHBondContact O-N 3.25Å; T328-F377 HydrophobicContact CG2-CD1 3.75Å; T328-F377 HydrophobicContact CG2-CE1 4.11Å; T328-F377 HydrophobicContact CG2-CG 4.01Å
329A88.5Confident83.1Confident3 Ų331.5 Ų31.53%0.02516%0.16CC..Hα-helixtrans-66.3-38.1178.400000112.9I325 C326 L332 L333 F366 F495 F496I325-A329 VanDerWaalsContact O-CB 3.22Å; I325-A329 WeakPolarHBondContact O-CB 3.35Å; I325-A329 PolarHBondContact O-N 3.17Å; C326-A329 PolarHBondContact O-N 2.95Å; A329-L332 PolarHBondContact O-N 2.96Å; A329-L333 WeakPolarHBondContact O-CB 3.27Å; A329-L333 PolarHBondContact O-N 3.4Å; A329-F366 HydrophobicContact CB-CE2 4.28Å; A329-F366 HydrophobicContact CB-CZ 4.11Å; A329-F495 HydrophobicContact CB-CB 3.78Å; A329-F495 WeakPolarHBondContact CB-O 3.37Å; A329-F496 HydrophobicContact CB-CD1 4.3Å; A329-F496 HydrophobicContact CB-CE1 3.94Å; A329-F496 HydrophobicContact CB-CE2 4.31Å; A329-F496 HydrophobicContact CB-CZ 3.95Å; A329-F496 WeakPolarHBondContact O-CE1 3.47Å
330S87Confident84.4Confident37 Ų3726.7 Ų26.726%0.25913%0.131SC..Hα-helixtrans-67-45.717767.30000111.4C326 E327 L332 L333 F334C326-S330 WeakPolarHBondContact O-CB 3.38Å; C326-S330 PolarHBondContact O-N 2.95Å; C326-S330 PolarHBondContact O-OG 3.11Å; E327-S330 WeakPolarHBondContact CA-OG 3.3Å; E327-S330 PolarHBondContact O-OG 3.36Å; S330-L332 VanDerWaalsContact C-N 3.32Å; S330-L332 PolarHBondContact O-N 3.19Å; S330-L333 PolarHBondContact O-N 3.2Å; S330-F334 WeakPolarHBondContact O-CB 3.45Å; S330-F334 PolarHBondContact O-N 3.2Å
331R87.6Confident85.3Confident54 Ų5428.3 Ų28.320%0.20414%0.136CC..Hα-helixtrans-59.7-43.2172.9-72.2174.4173.7-143.6-7.7111.6L310 P311 E327 F334 L335 F521L310-R331 HydrophobicContact CD1-CB 3.74Å; P311-R331 PolarHBondContact O-NH1 3.44Å; E327-R331 WeakPolarHBondContact O-CB 3.35Å; E327-R331 VanDerWaalsContact O-CG 3.23Å; E327-R331 WeakPolarHBondContact O-CG 3.25Å; E327-R331 PolarHBondContact O-N 3.43Å; E327-R331 IonicContact OE1-CZ 3.82Å; E327-R331 IonicContact OE1-NE 3.14Å; E327-R331 PolarHBondContact OE1-NE 3.08Å; E327-R331 IonicContact OE1-NH2 3.66Å; E327-R331 PolarHBondContact OE1-NH2 2.72Å; R331-F334 PolarHBondContact O-N 2.98Å; R331-L335 WeakPolarHBondContact O-CB 3.38Å; R331-L335 PolarHBondContact O-N 3.28Å; R331-F521 HydrophobicContact CB-CE1 4.03Å; R331-F521 HydrophobicContact CB-CZ 4.32Å; R331-F521 HydrophobicContact CG-CE1 4.18Å
332L91.2Very high85.7Confident0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-65.6-41.4178.117863.6000112.3F308 L310 T328 A329 S330 F334 L335 S336 F366 L370F308-L332 HydrophobicContact CE1-CD1 3.6Å; F308-L332 HydrophobicContact CZ-CD1 3.8Å; L310-L332 HydrophobicContact CD1-CB 4.32Å; L310-L332 HydrophobicContact CD2-CB 4.05Å; L310-L332 HydrophobicContact CD2-CD1 4.46Å; T328-L332 WeakPolarHBondContact O-CB 3.49Å; T328-L332 PolarHBondContact O-N 3.25Å; A329-L332 PolarHBondContact O-N 2.96Å; S330-L332 VanDerWaalsContact C-N 3.32Å; S330-L332 PolarHBondContact O-N 3.19Å; L332-F334 VanDerWaalsContact C-N 3.33Å; L332-L335 PolarHBondContact O-N 3.5Å; L332-S336 VanDerWaalsContact O-CB 3.27Å; L332-S336 WeakPolarHBondContact O-CB 3.46Å; L332-S336 PolarHBondContact O-N 2.9Å; L332-S336 PolarHBondContact O-OG 3.45Å; L332-F366 HydrophobicContact CB-CE2 4.26Å; L332-F366 HydrophobicContact CD2-CD2 4.19Å; L332-F366 HydrophobicContact CD2-CE2 3.72Å; L332-F366 HydrophobicContact CD2-CZ 4.28Å; L332-F366 HydrophobicContact CG-CD2 4.23Å; L332-F366 HydrophobicContact CG-CE2 4.04Å; L332-L370 HydrophobicContact CD2-CB 3.82Å; L332-L370 HydrophobicContact CD2-CD1 3.63Å; L332-L370 HydrophobicContact CD2-CG 4.35Å
333L91.3Very high86.1Confident7 Ų727.8 Ų27.84%0.03714%0.138CC..Hα-helixtrans-61.8-44.8175.1177.565.5000110.7A329 S330 S336 V337 W362 F366 F496 I505 I512A329-L333 WeakPolarHBondContact O-CB 3.27Å; A329-L333 PolarHBondContact O-N 3.4Å; S330-L333 PolarHBondContact O-N 3.2Å; L333-S336 PolarHBondContact O-N 3.39Å; L333-V337 WeakPolarHBondContact O-CG2 3.42Å; L333-V337 PolarHBondContact O-N 3.48Å; L333-V337 VanDerWaalsContact O-N 3.07Å; L333-W362 HydrophobicContact CD1-CE3 3.88Å; L333-W362 HydrophobicContact CD1-CZ3 4.47Å; L333-F366 HydrophobicContact CB-CD2 4.14Å; L333-F366 HydrophobicContact CB-CE2 4.46Å; L333-F366 HydrophobicContact CD1-CB 4.44Å; L333-F366 HydrophobicContact CD1-CD2 4.34Å; L333-F496 HydrophobicContact CB-CE1 4.07Å; L333-F496 HydrophobicContact CB-CZ 4.03Å; L333-F496 HydrophobicContact CD2-CE1 3.87Å; L333-F496 HydrophobicContact CD2-CZ 4.07Å; L333-I505 HydrophobicContact CD1-CG2 4.25Å; L333-I505 HydrophobicContact CD2-CD1 4.04Å; L333-I505 HydrophobicContact CD2-CG2 3.68Å; L333-I512 HydrophobicContact CD2-CD1 4.09Å; L333-I512 HydrophobicContact CG-CD1 4.17Å
334F89.1Confident85.9Confident6 Ų626.4 Ų26.43%0.02614%0.139CC..Hα-helixtrans-61.4-47.6176.3-176.7-92.1000111.9S330 R331 L332 S336 V337 H338 I512 M515 V517 I520 F521S330-F334 WeakPolarHBondContact O-CB 3.45Å; S330-F334 PolarHBondContact O-N 3.2Å; R331-F334 PolarHBondContact O-N 2.98Å; L332-F334 VanDerWaalsContact C-N 3.33Å; F334-S336 VanDerWaalsContact C-N 3.33Å; F334-S336 PolarHBondContact O-N 2.9Å; F334-V337 PolarHBondContact O-N 3.37Å; F334-H338 PolarHBondContact O-N 3.18Å; F334-I512 HydrophobicContact CD2-CB 4.39Å; F334-I512 HydrophobicContact CD2-CG1 4.34Å; F334-I512 HydrophobicContact CD2-CG2 3.59Å; F334-I512 HydrophobicContact CE2-CG2 4.02Å; F334-I512 HydrophobicContact CG-CG2 4.38Å; F334-M515 HydrophobicContact CE2-CB 3.83Å; F334-M515 HydrophobicContact CZ-CB 4.35Å; F334-V517 HydrophobicContact CE1-CB 4.36Å; F334-V517 HydrophobicContact CE1-CG1 4.33Å; F334-V517 HydrophobicContact CE1-CG2 4.3Å; F334-I520 HydrophobicContact CB-CD1 4.35Å; F334-I520 HydrophobicContact CD1-CB 4.25Å; F334-I520 HydrophobicContact CD1-CD1 3.87Å; F334-I520 HydrophobicContact CD1-CG1 4.41Å; F334-I520 HydrophobicContact CD1-CG2 4.34Å; F334-I520 HydrophobicContact CD2-CD1 3.19Å; F334-I520 HydrophobicContact CD2-CG1 4.33Å; F334-I520 HydrophobicContact CE1-CB 4.07Å; F334-I520 HydrophobicContact CE1-CD1 3.9Å; F334-I520 HydrophobicContact CE1-CG1 4.09Å; F334-I520 HydrophobicContact CE2-CD1 3.23Å; F334-I520 HydrophobicContact CE2-CG1 4.01Å; F334-I520 HydrophobicContact CG-CD1 3.53Å; F334-I520 HydrophobicContact CZ-CB 4.36Å; F334-I520 HydrophobicContact CZ-CD1 3.59Å; F334-I520 HydrophobicContact CZ-CG1 3.88Å; F334-F521 AromaticContact CD1-CE2 3.74Å; F334-F521 HydrophobicContact CD1-CE2 3.74Å; F334-F521 HydrophobicContact CD1-CZ 4.33Å; F334-F521 HydrophobicContact CE1-CE2 4.09Å
335L90Very high85.3Confident28 Ų2827.6 Ų27.615%0.14715%0.151CC..Hα-helixtrans-58.7-44175.4-178.864.5000111.6F308 E309 L310 R331 L332 V337 H338 W339 F521F308-L335 HydrophobicContact CD1-CD2 4.3Å; F308-L335 HydrophobicContact CD2-CD2 4.26Å; F308-L335 HydrophobicContact CD2-CG 4.12Å; F308-L335 HydrophobicContact CE1-CD2 4.02Å; F308-L335 HydrophobicContact CE2-CB 4.47Å; F308-L335 HydrophobicContact CE2-CD2 4Å; F308-L335 HydrophobicContact CE2-CG 3.66Å; F308-L335 HydrophobicContact CG-CD2 4.41Å; F308-L335 HydrophobicContact CZ-CB 4.44Å; F308-L335 HydrophobicContact CZ-CD2 3.86Å; F308-L335 HydrophobicContact CZ-CG 3.89Å; E309-L335 VanDerWaalsContact O-CD2 3.29Å; E309-L335 WeakPolarHBondContact O-CD2 3.47Å; L310-L335 HydrophobicContact CB-CD2 4.19Å; L310-L335 HydrophobicContact CD1-CD2 4.07Å; R331-L335 WeakPolarHBondContact O-CB 3.38Å; R331-L335 PolarHBondContact O-N 3.28Å; L332-L335 PolarHBondContact O-N 3.5Å; L335-V337 PolarHBondContact O-N 2.87Å; L335-H338 PolarHBondContact O-N 3.45Å; L335-W339 WeakPolarHBondContact O-CB 3.18Å; L335-W339 PolarHBondContact O-N 3.13Å; L335-F521 HydrophobicContact CB-CZ 4.25Å
336S92Very high84.6Confident3 Ų328.1 Ų28.12%0.02115%0.154CC..Hα-helixtrans-59.4-45.1179-62.60000112.4L332 L333 F334 L340L332-S336 VanDerWaalsContact O-CB 3.27Å; L332-S336 WeakPolarHBondContact O-CB 3.46Å; L332-S336 PolarHBondContact O-N 2.9Å; L332-S336 PolarHBondContact O-OG 3.45Å; L333-S336 PolarHBondContact O-N 3.39Å; F334-S336 VanDerWaalsContact C-N 3.33Å; F334-S336 PolarHBondContact O-N 2.9Å; S336-L340 PolarHBondContact O-N 3.33Å
337V89.2Confident83.4Confident4 Ų435.6 Ų35.62%0.02419%0.188CC..Hα-helixtrans-69.7-44.9179.1173.20000110.8L333 F334 L335 L340 K341 L358 I509 I512 L513L333-V337 WeakPolarHBondContact O-CG2 3.42Å; L333-V337 PolarHBondContact O-N 3.48Å; L333-V337 VanDerWaalsContact O-N 3.07Å; F334-V337 PolarHBondContact O-N 3.37Å; L335-V337 PolarHBondContact O-N 2.87Å; V337-L340 PolarHBondContact O-N 2.95Å; V337-K341 PolarHBondContact O-N 3.33Å; V337-L358 HydrophobicContact CG1-CD1 3.9Å; V337-L358 HydrophobicContact CG2-CD2 4.41Å; V337-I509 HydrophobicContact CG2-CD1 3.84Å; V337-I512 HydrophobicContact CB-CG2 3.63Å; V337-I512 HydrophobicContact CG1-CB 4.38Å; V337-I512 HydrophobicContact CG1-CG2 3.54Å; V337-I512 HydrophobicContact CG2-CG2 4.11Å; V337-L513 HydrophobicContact CG1-CD2 3.6Å; V337-L513 HydrophobicContact CG1-CG 3.99Å
338H86Confident82.3Confident50 Ų5033.7 Ų33.723%0.23118%0.18CC..Hα-helixtrans-73-35.7-177.6-164.2-77.6000113.1F334 L335 L340 K341 S342 V517F334-H338 PolarHBondContact O-N 3.18Å; L335-H338 PolarHBondContact O-N 3.45Å; H338-L340 PolarHBondContact O-N 3.4Å; H338-K341 WeakPolarHBondContact O-CB 3.36Å; H338-K341 PolarHBondContact O-N 2.98Å; H338-S342 PolarHBondContact O-N 3.5Å; H338-V517 HydrophobicContact CB-CG2 4.08Å; H338-V517 WeakPolarHBondContact CD2-CG2 3.06Å; H338-V517 WeakPolarHBondContact CE1-CG2 3.3Å; H338-V517 WeakPolarHBondContact ND1-CG2 3.37Å; H338-V517 WeakPolarHBondContact NE2-CG2 3.46Å
339W90.5Very high81Confident10 Ų1041 Ų414%0.03821%0.214CC..Hα-helixtrans-55.9-44.6172.8178.186.3000110.2L301 S305 F308 L335 K341 S342 V343 G432 K435 L436L301-W339 HydrophobicContact CD2-CH2 4.33Å; L301-W339 HydrophobicContact CD2-CZ2 4.07Å; S305-W339 PolarHBondContact O-NE1 3.12Å; F308-W339 HydrophobicContact CD2-CB 3.85Å; F308-W339 AromaticContact CD2-CD1 3.76Å; F308-W339 HydrophobicContact CD2-CD2 4.24Å; F308-W339 AromaticContact CD2-CG 3.64Å; F308-W339 HydrophobicContact CD2-CG 3.64Å; F308-W339 HydrophobicContact CE2-CB 3.85Å; F308-W339 HydrophobicContact CE2-CG 4.08Å; L335-W339 WeakPolarHBondContact O-CB 3.18Å; L335-W339 PolarHBondContact O-N 3.13Å; W339-K341 PolarHBondContact O-N 2.93Å; W339-S342 PolarHBondContact O-N 2.85Å; W339-S342 VanDerWaalsContact O-N 3.1Å; W339-S342 PolarHBondContact O-OG 3.23Å; W339-V343 HydrophobicContact CH2-CG2 4.17Å; W339-V343 HydrophobicContact CZ2-CG2 4.4Å; W339-V343 HydrophobicContact CZ3-CG2 4.26Å; W339-G432 VanDerWaalsContact CH2-CA 3.49Å; W339-K435 HydrophobicContact CE3-CD 3.94Å; W339-K435 HydrophobicContact CH2-CB 4.25Å; W339-K435 HydrophobicContact CH2-CD 4.16Å; W339-K435 HydrophobicContact CZ3-CB 3.8Å; W339-K435 HydrophobicContact CZ3-CD 3.73Å; W339-K435 HydrophobicContact CZ3-CG 4.44Å; W339-L436 HydrophobicContact CH2-CG 4.36Å; W339-L436 HydrophobicContact CZ3-CD2 4.5Å
340L88.4Confident79.7Confident0 Ų044.4 Ų44.40%024%0.236CC..Hα-helixtrans-62.3-43.8178-171.670.6000112.2S336 V337 H338 S342 V343 L346 L358 L436 F439S336-L340 PolarHBondContact O-N 3.33Å; V337-L340 PolarHBondContact O-N 2.95Å; H338-L340 PolarHBondContact O-N 3.4Å; L340-S342 PolarHBondContact O-N 2.99Å; L340-V343 PolarHBondContact O-N 3.15Å; L340-L346 HydrophobicContact CD1-CD2 3.87Å; L340-L346 HydrophobicContact CD2-CD2 4.24Å; L340-L346 HydrophobicContact CG-CD2 3.59Å; L340-L346 WeakPolarHBondContact O-CD2 3.47Å; L340-L358 HydrophobicContact CD2-CD1 4.43Å; L340-L358 HydrophobicContact CD2-CD2 3.59Å; L340-L358 HydrophobicContact CD2-CG 4.03Å; L340-L436 HydrophobicContact CD1-CD2 3.82Å; L340-F439 HydrophobicContact CD1-CB 4.31Å; L340-F439 HydrophobicContact CD1-CD1 4.22Å; L340-F439 HydrophobicContact CD1-CD2 4.49Å; L340-F439 HydrophobicContact CD1-CG 4.08Å; L340-F439 HydrophobicContact CD2-CD1 4.19Å; L340-F439 HydrophobicContact CD2-CD2 3.34Å; L340-F439 HydrophobicContact CD2-CE1 4.22Å; L340-F439 HydrophobicContact CD2-CE2 3.38Å; L340-F439 HydrophobicContact CD2-CG 3.76Å; L340-F439 HydrophobicContact CD2-CZ 3.83Å
341K83.7Confident78.7Confident98 Ų9849 Ų4943%0.42626%0.257SS..Hα-helixtrans-61.5-27.1175.3-174-178.6173.9-174.40113.1V337 H338 W339 V343 L513V337-K341 PolarHBondContact O-N 3.33Å; H338-K341 WeakPolarHBondContact O-CB 3.36Å; H338-K341 PolarHBondContact O-N 2.98Å; W339-K341 PolarHBondContact O-N 2.93Å; K341-V343 VanDerWaalsContact C-N 3.32Å; K341-L513 HydrophobicContact CD-CD2 4.49Å; K341-L513 PolarHBondContact NZ-O 3.15Å
342S82.5Confident78Confident59 Ų5950 Ų5041%0.41327%0.273SS..THydrogen-bonded Turntrans-79.7-9.4-179.874.80000114.5H338 W339 L340 P344H338-S342 PolarHBondContact O-N 3.5Å; W339-S342 PolarHBondContact O-N 2.85Å; W339-S342 VanDerWaalsContact O-N 3.1Å; W339-S342 PolarHBondContact O-OG 3.23Å; L340-S342 PolarHBondContact O-N 2.99Å; S342-P344 VanDerWaalsContact O-CD 3.3Å; S342-P344 WeakPolarHBondContact O-CD 3.44Å
343V84.4Confident77.4Confident4 Ų451.4 Ų51.42%0.02428%0.281CS..  trans-72.6115.4-178.9177.60000109.9I300 L301 W339 L340 K341 S345 L346 L436I300-V343 HydrophobicContact CG2-CG1 3.81Å; L301-V343 HydrophobicContact CD2-CG1 4.19Å; L301-V343 HydrophobicContact CD2-CG2 4.04Å; W339-V343 HydrophobicContact CH2-CG2 4.17Å; W339-V343 HydrophobicContact CZ2-CG2 4.4Å; W339-V343 HydrophobicContact CZ3-CG2 4.26Å; L340-V343 PolarHBondContact O-N 3.15Å; K341-V343 VanDerWaalsContact C-N 3.32Å; V343-S345 VanDerWaalsContact C-N 3.31Å; V343-S345 PolarHBondContact O-N 3.16Å; V343-L346 HydrophobicContact CB-CB 4.1Å; V343-L346 HydrophobicContact CG1-CB 4.3Å; V343-L346 VanDerWaalsContact O-CB 3.28Å; V343-L346 WeakPolarHBondContact O-CB 3.46Å; V343-L346 PolarHBondContact O-N 3.36Å; V343-L436 HydrophobicContact CG1-CD1 4.38Å; V343-L436 HydrophobicContact CG1-CD2 4.26Å; V343-L436 HydrophobicContact CG2-CD2 4.26Å
344P71.3Confident76.8Confident90 Ų9052.1 Ų52.158%0.58428%0.284SS*.THydrogen-bonded Turntrans-60.3-36.3-169.9-25.434.4000114.3S342 L346S342-P344 VanDerWaalsContact O-CD 3.3Å; S342-P344 WeakPolarHBondContact O-CD 3.44Å; P344-L346 PolarHBondContact O-N 3.07Å
345S68.1Low76.6Confident45 Ų4554.4 Ų54.432%0.31530%0.295SS..THydrogen-bonded Turntrans-79.7-2.5-179.5-48.10000113.6V343 E347 F456V343-S345 VanDerWaalsContact C-N 3.31Å; V343-S345 PolarHBondContact O-N 3.16Å; S345-E347 PolarHBondContact O-N 3.46Å; S345-E347 VanDerWaalsContact O-N 3.15Å; S345-F456 WeakPolarHBondContact O-CE2 3.43Å
346L67.5Low76.3Confident16 Ų1656.2 Ų56.28%0.08430%0.304CS..  trans-85.339.6175.9-151.678.5000111.5L340 V343 P344 L348 L436 F439 F456L340-L346 HydrophobicContact CD1-CD2 3.87Å; L340-L346 HydrophobicContact CD2-CD2 4.24Å; L340-L346 HydrophobicContact CG-CD2 3.59Å; L340-L346 WeakPolarHBondContact O-CD2 3.47Å; V343-L346 HydrophobicContact CB-CB 4.1Å; V343-L346 HydrophobicContact CG1-CB 4.3Å; V343-L346 VanDerWaalsContact O-CB 3.28Å; V343-L346 WeakPolarHBondContact O-CB 3.46Å; V343-L346 PolarHBondContact O-N 3.36Å; P344-L346 PolarHBondContact O-N 3.07Å; L346-L348 HydrophobicContact CD1-CD1 4.01Å; L346-L348 HydrophobicContact CD2-CD1 4.49Å; L346-L348 HydrophobicContact CG-CD1 3.94Å; L346-L348 PolarHBondContact O-N 3.03Å; L346-L436 HydrophobicContact CD1-CD2 4.47Å; L346-F439 HydrophobicContact CD1-CD1 4.06Å; L346-F439 HydrophobicContact CD1-CE1 3.82Å; L346-F439 HydrophobicContact CD2-CE1 3.98Å; L346-F439 HydrophobicContact CD2-CZ 4.41Å; L346-F439 HydrophobicContact CG-CE1 4.31Å; L346-F456 HydrophobicContact CD1-CD1 4.33Å; L346-F456 HydrophobicContact CD1-CE1 3.64Å; L346-F456 HydrophobicContact CD1-CE2 3.95Å; L346-F456 HydrophobicContact CD1-CZ 3.42Å; L346-F456 VanDerWaalsContact CD1-CZ 3.42Å
347E58.3Low76Confident156 Ų15656.2 Ų56.273%0.72930%0.304SS*.  trans-68.362.4166.8-74.3-172.7164.400110.2S345 Q349S345-E347 PolarHBondContact O-N 3.46Å; S345-E347 VanDerWaalsContact O-N 3.15Å; E347-Q349 HydrophobicContact CB-CG 4.37Å; E347-Q349 PolarHBondContact O-N 2.72Å
348L56.3Low76Confident32 Ų3256 Ų5617%0.16830%0.303CS..  trans-71.868.8163.8-81.9158.8000108.2L346 P350 V353 F439L346-L348 HydrophobicContact CD1-CD1 4.01Å; L346-L348 HydrophobicContact CD2-CD1 4.49Å; L346-L348 HydrophobicContact CG-CD1 3.94Å; L346-L348 PolarHBondContact O-N 3.03Å; L348-P350 CarbonylContact O-C 3.28Å; L348-P350 WeakPolarHBondContact O-CA 3.34Å; L348-V353 HydrophobicContact CD2-CG1 3.92Å; L348-F439 HydrophobicContact CD1-CE1 3.48Å; L348-F439 VanDerWaalsContact CD1-CE1 3.48Å; L348-F439 HydrophobicContact CD1-CZ 3.86Å
349Q57.6Low76.2Confident160 Ų16056.6 Ų56.675%0.74830%0.304SS*.SBendtrans-67.1107.6167.5-67.4-83.4-41.200107E347E347-Q349 HydrophobicContact CB-CG 4.37Å; E347-Q349 PolarHBondContact O-N 2.72Å
350P62.8Low76Confident74 Ų7458.9 Ų58.948%0.48132%0.315SS..SBendcis-109.1157.816.336.2-29.5000116.4L348 S352 V353L348-P350 CarbonylContact O-C 3.28Å; L348-P350 WeakPolarHBondContact O-CA 3.34Å; P350-S352 PolarHBondContact O-N 3.17Å; P350-V353 HydrophobicContact CG-CG2 4.4Å; P350-V353 PolarHBondContact O-N 3.17Å
351D65.9Low76.2Confident132 Ų13259.3 Ų59.371%0.70632%0.317SS*.Hα-helixtrans-36.2-33.5177.2-59.5-10.2000115.7V353 E354 E355D351-V353 VanDerWaalsContact C-N 3.29Å; D351-V353 PolarHBondContact O-N 2.92Å; D351-E354 PolarHBondContact O-N 3.38Å; D351-E355 PolarHBondContact O-N 3.11Å; D351-E355 VanDerWaalsContact O-N 3.12Å
352S72.3Confident76.6Confident75 Ų7554.7 Ų54.752%0.52430%0.297SS..Hα-helixtrans-61.4-30.6178680000114.6P350 M356P350-S352 PolarHBondContact O-N 3.17Å; S352-M356 VanDerWaalsContact O-CB 3.23Å; S352-M356 WeakPolarHBondContact O-CB 3.48Å; S352-M356 PolarHBondContact O-N 3.02Å; S352-M356 VanDerWaalsContact O-N 3.14Å
353V77.7Confident77.2Confident30 Ų3052.1 Ų52.118%0.18228%0.279CS..Hα-helixtrans-76.6-45.6-178.9-178.50000109.7L348 P350 D351 E355 M356 V357L348-V353 HydrophobicContact CD2-CG1 3.92Å; P350-V353 HydrophobicContact CG-CG2 4.4Å; P350-V353 PolarHBondContact O-N 3.17Å; D351-V353 VanDerWaalsContact C-N 3.29Å; D351-V353 PolarHBondContact O-N 2.92Å; V353-E355 PolarHBondContact O-N 3.07Å; V353-M356 PolarHBondContact O-N 3.05Å; V353-V357 HydrophobicContact CG1-CG2 4.2Å; V353-V357 VanDerWaalsContact O-CG2 3.27Å; V353-V357 WeakPolarHBondContact O-CG2 3.23Å; V353-V357 PolarHBondContact O-N 3.22Å
354E80.1Confident77.7Confident22 Ų2252.8 Ų52.810%0.10328%0.282CS..Hα-helixtrans-57.2-50.4175.6-171-165.6164.500111D351 M356 V357 L358 F439 L513D351-E354 PolarHBondContact O-N 3.38Å; E354-M356 VanDerWaalsContact C-N 3.3Å; E354-M356 PolarHBondContact O-N 3.45Å; E354-V357 PolarHBondContact O-N 3.35Å; E354-L358 HydrophobicContact CG-CD1 4.1Å; E354-L358 WeakPolarHBondContact O-CB 3.34Å; E354-L358 PolarHBondContact O-N 2.75Å; E354-F439 HydrophobicContact CG-CZ 4.4Å; E354-L513 WeakPolarHBondContact OE1-CD2 3.16Å
355E84.2Confident78.8Confident55 Ų5548.6 Ų48.626%0.25725%0.254SS..Hα-helixtrans-57.1-44.3177.4-173.8-168.5131.600111.6D351 V353 K359 P510 L513D351-E355 PolarHBondContact O-N 3.11Å; D351-E355 VanDerWaalsContact O-N 3.12Å; V353-E355 PolarHBondContact O-N 3.07Å; E355-K359 HydrophobicContact CG-CD 4.33Å; E355-K359 WeakPolarHBondContact O-CB 3.46Å; E355-K359 VanDerWaalsContact O-CG 3.29Å; E355-K359 WeakPolarHBondContact O-CG 3.45Å; E355-K359 PolarHBondContact O-N 2.92Å; E355-K359 WeakPolarHBondContact OE1-CE 3.43Å; E355-K359 IonicContact OE1-NZ 3.56Å; E355-K359 PolarHBondContact OE1-NZ 3.19Å; E355-P510 HydrophobicContact CG-CB 4.3Å; E355-P510 HydrophobicContact CG-CG 3.99Å; E355-P510 WeakPolarHBondContact OE1-CG 3.46Å; E355-L513 HydrophobicContact CB-CD1 3.88Å; E355-L513 HydrophobicContact CG-CD1 4.07Å
356M82.8Confident80.1Confident65 Ų6546.5 Ų46.532%0.3224%0.24SC..Hα-helixtrans-67.1-42.5-179.5-179.7177.251.600112.2S352 V353 E354 Q360 F448S352-M356 VanDerWaalsContact O-CB 3.23Å; S352-M356 WeakPolarHBondContact O-CB 3.48Å; S352-M356 PolarHBondContact O-N 3.02Å; S352-M356 VanDerWaalsContact O-N 3.14Å; V353-M356 PolarHBondContact O-N 3.05Å; E354-M356 VanDerWaalsContact C-N 3.3Å; E354-M356 PolarHBondContact O-N 3.45Å; M356-Q360 PolarHBondContact O-N 3.47Å; M356-F448 HydrophobicContact CE-CD1 3.46Å; M356-F448 VanDerWaalsContact CE-CD1 3.46Å; M356-F448 HydrophobicContact CE-CE1 3.55Å; M356-F448 HydrophobicContact CG-CE1 4Å; M356-F448 HydrophobicContact SD-CD1 4.45Å; M356-F448 HydrophobicContact SD-CE1 4.05Å
357V87.2Confident81.5Confident3 Ų345.7 Ų45.72%0.01824%0.236CC..Hα-helixtrans-68.1-44.3178.3178.90000109.9V353 E354 K359 Q360 R361 F439 F448 L453V353-V357 HydrophobicContact CG1-CG2 4.2Å; V353-V357 VanDerWaalsContact O-CG2 3.27Å; V353-V357 WeakPolarHBondContact O-CG2 3.23Å; V353-V357 PolarHBondContact O-N 3.22Å; E354-V357 PolarHBondContact O-N 3.35Å; V357-K359 PolarHBondContact O-N 2.81Å; V357-Q360 CarbonylContact O-C 3.12Å; V357-Q360 WeakPolarHBondContact O-CA 3.36Å; V357-Q360 PolarHBondContact O-N 3.39Å; V357-R361 HydrophobicContact CG1-CG 4.18Å; V357-R361 WeakPolarHBondContact O-CB 3.33Å; V357-R361 PolarHBondContact O-N 3.03Å; V357-F439 HydrophobicContact CB-CD2 4.44Å; V357-F439 HydrophobicContact CB-CE2 3.62Å; V357-F439 HydrophobicContact CB-CZ 3.79Å; V357-F439 HydrophobicContact CG1-CD2 3.57Å; V357-F439 HydrophobicContact CG1-CE1 4.23Å; V357-F439 HydrophobicContact CG1-CE2 3.22Å; V357-F439 HydrophobicContact CG1-CG 4.21Å; V357-F439 HydrophobicContact CG1-CZ 3.62Å; V357-F439 WeakPolarHBondContact CG1-O 3.44Å; V357-F448 HydrophobicContact CG2-CD1 4Å; V357-F448 HydrophobicContact CG2-CE1 3.68Å; V357-L453 HydrophobicContact CG2-CD2 4.41Å
358L89.3Confident83.3Confident1 Ų138.3 Ų38.31%0.00520%0.201CC..Hα-helixtrans-58.4-45.4175-85.1170.5000111.8V337 L340 E354 Q360 R361 W362 F439 I509 L513V337-L358 HydrophobicContact CG1-CD1 3.9Å; V337-L358 HydrophobicContact CG2-CD2 4.41Å; L340-L358 HydrophobicContact CD2-CD1 4.43Å; L340-L358 HydrophobicContact CD2-CD2 3.59Å; L340-L358 HydrophobicContact CD2-CG 4.03Å; E354-L358 HydrophobicContact CG-CD1 4.1Å; E354-L358 WeakPolarHBondContact O-CB 3.34Å; E354-L358 PolarHBondContact O-N 2.75Å; L358-Q360 PolarHBondContact O-N 3.07Å; L358-Q360 VanDerWaalsContact O-N 3.13Å; L358-R361 PolarHBondContact O-N 3.49Å; L358-R361 VanDerWaalsContact O-N 3.14Å; L358-W362 WeakPolarHBondContact O-CA 3.25Å; L358-W362 VanDerWaalsContact O-CB 3.23Å; L358-W362 WeakPolarHBondContact O-CB 3.42Å; L358-W362 PolarHBondContact O-N 3.4Å; L358-F439 HydrophobicContact CD2-CE2 4.28Å; L358-F439 HydrophobicContact CG-CE2 3.97Å; L358-I509 HydrophobicContact CB-CG2 3.75Å; L358-I509 HydrophobicContact CD1-CG2 4.28Å; L358-L513 HydrophobicContact CD1-CD1 4Å; L358-L513 HydrophobicContact CD1-CD2 3.72Å; L358-L513 HydrophobicContact CD1-CG 4.17Å
359K88.6Confident85.1Confident62 Ų6236.8 Ų36.827%0.2719%0.193SC..Hα-helixtrans-54.9-33.4173.7-80.3171.7166.21690112.9E355 V357 E506 I509 P510E355-K359 HydrophobicContact CG-CD 4.33Å; E355-K359 WeakPolarHBondContact O-CB 3.46Å; E355-K359 VanDerWaalsContact O-CG 3.29Å; E355-K359 WeakPolarHBondContact O-CG 3.45Å; E355-K359 PolarHBondContact O-N 2.92Å; E355-K359 WeakPolarHBondContact OE1-CE 3.43Å; E355-K359 IonicContact OE1-NZ 3.56Å; E355-K359 PolarHBondContact OE1-NZ 3.19Å; V357-K359 PolarHBondContact O-N 2.81Å; K359-E506 HydrophobicContact CB-CG 4.47Å; K359-E506 WeakPolarHBondContact CE-O 3.4Å; K359-E506 HydrophobicContact CG-CB 4.25Å; K359-E506 WeakPolarHBondContact CG-O 3.42Å; K359-E506 WeakPolarHBondContact O-CG 3.33Å; K359-I509 HydrophobicContact CG-CB 4.31Å; K359-I509 HydrophobicContact CG-CG2 4.42Å; K359-P510 VanDerWaalsContact CE-CG 3.49Å
360Q88.2Confident86.9Confident57 Ų5729.3 Ų29.327%0.26616%0.158SC..Hα-helixtrans-83.2-34.9177.7-67.8-170.325.500113.3M356 V357 L358 S444 K488M356-Q360 PolarHBondContact O-N 3.47Å; V357-Q360 CarbonylContact O-C 3.12Å; V357-Q360 WeakPolarHBondContact O-CA 3.36Å; V357-Q360 PolarHBondContact O-N 3.39Å; L358-Q360 PolarHBondContact O-N 3.07Å; L358-Q360 VanDerWaalsContact O-N 3.13Å; Q360-S444 VanDerWaalsContact OE1-CB 3.23Å; Q360-K488 WeakPolarHBondContact O-CE 3.19Å; Q360-K488 PolarHBondContact O-NZ 3.35Å
361R90.8Very high88.4Confident9 Ų926.1 Ų26.13%0.03414%0.137CC..Hα-helixtrans-111.80.5-168.9-60.8-63.3-175.4177.41.8115.3V357 L358 C363 E364 I365 A441 D443 S444V357-R361 HydrophobicContact CG1-CG 4.18Å; V357-R361 WeakPolarHBondContact O-CB 3.33Å; V357-R361 PolarHBondContact O-N 3.03Å; L358-R361 PolarHBondContact O-N 3.49Å; L358-R361 VanDerWaalsContact O-N 3.14Å; R361-C363 PolarHBondContact O-N 2.84Å; R361-E364 WeakPolarHBondContact CD-OE1 3.42Å; R361-E364 IonicContact CZ-OE1 3.42Å; R361-E364 IonicContact NE-OE1 3.54Å; R361-E364 IonicContact NH1-OE1 3.44Å; R361-E364 PolarHBondContact NH1-OE1 2.96Å; R361-E364 PolarHBondContact O-N 3.27Å; R361-I365 PolarHBondContact O-N 3.05Å; R361-A441 PolarHBondContact NH2-O 3.34Å; R361-D443 IonicContact CZ-OD1 2.63Å; R361-D443 IonicContact CZ-OD2 2.76Å; R361-D443 IonicContact NH1-OD1 3.38Å; R361-D443 IonicContact NH1-OD2 3.74Å; R361-D443 PolarHBondContact NH1-OD2 3.29Å; R361-D443 VanDerWaalsContact NH1-OD2 3.14Å; R361-D443 IonicContact NH2-OD1 2.63Å; R361-D443 PolarHBondContact NH2-OD1 2.82Å; R361-D443 IonicContact NH2-OD2 2.84Å; R361-D443 PolarHBondContact NH2-OD2 2.96Å; R361-S444 PolarHBondContact NH2-OG 2.95Å
362W92.8Very high89.8Confident2 Ų220.8 Ų20.81%0.00811%0.108CC..Hα-helixtrans-51-38.7-174.374.4-94.3000112.8L333 L358 I365 F366 K488 V492 F496 I505 E506 I509L333-W362 HydrophobicContact CD1-CE3 3.88Å; L333-W362 HydrophobicContact CD1-CZ3 4.47Å; L358-W362 WeakPolarHBondContact O-CA 3.25Å; L358-W362 VanDerWaalsContact O-CB 3.23Å; L358-W362 WeakPolarHBondContact O-CB 3.42Å; L358-W362 PolarHBondContact O-N 3.4Å; W362-I365 PolarHBondContact O-N 2.85Å; W362-F366 HydrophobicContact CE3-CB 4.1Å; W362-F366 HydrophobicContact CZ3-CB 4.25Å; W362-F366 HydrophobicContact CZ3-CD1 4.35Å; W362-F366 HydrophobicContact CZ3-CG 4.3Å; W362-F366 WeakPolarHBondContact O-CB 3.12Å; W362-F366 PolarHBondContact O-N 3.47Å; W362-K488 HydrophobicContact CZ2-CB 4.2Å; W362-V492 HydrophobicContact CH2-CG2 3.56Å; W362-V492 HydrophobicContact CZ2-CG2 3.73Å; W362-F496 HydrophobicContact CZ3-CE2 4.37Å; W362-I505 HydrophobicContact CD2-CB 4.08Å; W362-I505 HydrophobicContact CD2-CG2 3.59Å; W362-I505 HydrophobicContact CE3-CB 4.4Å; W362-I505 HydrophobicContact CE3-CG2 3.77Å; W362-I505 HydrophobicContact CG-CG2 4.05Å; W362-I505 HydrophobicContact CH2-CB 4.16Å; W362-I505 HydrophobicContact CH2-CG1 3.75Å; W362-I505 HydrophobicContact CH2-CG2 4.37Å; W362-I505 HydrophobicContact CZ2-CB 3.78Å; W362-I505 HydrophobicContact CZ2-CG1 3.79Å; W362-I505 HydrophobicContact CZ2-CG2 4.2Å; W362-I505 HydrophobicContact CZ3-CB 4.45Å; W362-I505 HydrophobicContact CZ3-CG1 4.17Å; W362-I505 HydrophobicContact CZ3-CG2 4.16Å; W362-E506 PolarHBondContact NE1-OE1 3.36Å; W362-I509 HydrophobicContact CB-CD1 4.03Å
363C94.3Very high90.7Very high5 Ų517.2 Ų17.23%0.0348%0.083CC..Hα-helixtrans-66-39.5-178.1-1710000111.8R361 L367 K488R361-C363 PolarHBondContact O-N 2.84Å; C363-L367 WeakPolarHBondContact O-CB 3.23Å; C363-L367 WeakPolarHBondContact O-CG 3.17Å; C363-L367 PolarHBondContact O-N 3.34Å; C363-K488 HydrophobicContact CB-CD 4.45Å; C363-K488 HydrophobicContact CB-CG 3.88Å
364E95.1Very high91.3Very high18 Ų1816.1 Ų16.18%0.0848%0.077CC..Hα-helixtrans-67.3-43.1178.1-59.1-178.3-131.700110.4R361 L367 L368 A438 L483 R484R361-E364 WeakPolarHBondContact CD-OE1 3.42Å; R361-E364 IonicContact CZ-OE1 3.42Å; R361-E364 IonicContact NE-OE1 3.54Å; R361-E364 IonicContact NH1-OE1 3.44Å; R361-E364 PolarHBondContact NH1-OE1 2.96Å; R361-E364 PolarHBondContact O-N 3.27Å; E364-L367 PolarHBondContact O-N 3.1Å; E364-L368 WeakPolarHBondContact O-CG 3.15Å; E364-L368 PolarHBondContact O-N 3.22Å; E364-A438 HydrophobicContact CB-CB 4.37Å; E364-L483 HydrophobicContact CB-CB 4.28Å; E364-L483 HydrophobicContact CB-CD1 4.27Å; E364-L483 HydrophobicContact CG-CB 4.02Å; E364-R484 VanDerWaalsContact CD-NE 3.29Å; E364-R484 IonicContact OE1-CZ 2.78Å; E364-R484 IonicContact OE1-NE 3.41Å; E364-R484 PolarHBondContact OE1-NE 3.03Å; E364-R484 IonicContact OE2-CZ 3.49Å; E364-R484 IonicContact OE2-NE 3.23Å; E364-R484 PolarHBondContact OE2-NE 2.94Å; E364-R484 IonicContact OE2-NH2 3.11Å
365I94.7Very high91.5Very high2 Ų220 Ų201%0.0111%0.106CC..Hα-helixtrans-66.7-44.1178-50.9-53.4000111.1R361 W362 L368 G369 K435 A438 F439R361-I365 PolarHBondContact O-N 3.05Å; W362-I365 PolarHBondContact O-N 2.85Å; I365-L368 PolarHBondContact O-N 2.93Å; I365-G369 PolarHBondContact O-N 3.36Å; I365-K435 HydrophobicContact CD1-CB 4.5Å; I365-K435 VanDerWaalsContact CD1-O 3.27Å; I365-K435 WeakPolarHBondContact CD1-O 3.26Å; I365-A438 HydrophobicContact CD1-CB 4.09Å; I365-F439 HydrophobicContact CD1-CB 3.86Å
366F95.7Very high91.5Very high0 Ų020.4 Ų20.40%011%0.108CC..Hα-helixtrans-60.3-45.8176171.6-100.4000111.4A329 L332 L333 W362 G369 L370 V491 F495 F496A329-F366 HydrophobicContact CB-CE2 4.28Å; A329-F366 HydrophobicContact CB-CZ 4.11Å; L332-F366 HydrophobicContact CB-CE2 4.26Å; L332-F366 HydrophobicContact CD2-CD2 4.19Å; L332-F366 HydrophobicContact CD2-CE2 3.72Å; L332-F366 HydrophobicContact CD2-CZ 4.28Å; L332-F366 HydrophobicContact CG-CD2 4.23Å; L332-F366 HydrophobicContact CG-CE2 4.04Å; L333-F366 HydrophobicContact CB-CD2 4.14Å; L333-F366 HydrophobicContact CB-CE2 4.46Å; L333-F366 HydrophobicContact CD1-CB 4.44Å; L333-F366 HydrophobicContact CD1-CD2 4.34Å; W362-F366 HydrophobicContact CE3-CB 4.1Å; W362-F366 HydrophobicContact CZ3-CB 4.25Å; W362-F366 HydrophobicContact CZ3-CD1 4.35Å; W362-F366 HydrophobicContact CZ3-CG 4.3Å; W362-F366 WeakPolarHBondContact O-CB 3.12Å; W362-F366 PolarHBondContact O-N 3.47Å; F366-G369 PolarHBondContact O-N 3.07Å; F366-L370 HydrophobicContact CE1-CD2 4.42Å; F366-L370 HydrophobicContact CZ-CD1 4.32Å; F366-L370 VanDerWaalsContact O-CB 3.31Å; F366-L370 WeakPolarHBondContact O-CB 3.44Å; F366-L370 PolarHBondContact O-N 2.94Å; F366-V491 HydrophobicContact CD1-CG1 3.98Å; F366-V491 HydrophobicContact CE1-CG1 3.86Å; F366-F495 HydrophobicContact CE1-CD2 4.04Å; F366-F495 HydrophobicContact CE1-CG 4.3Å; F366-F495 HydrophobicContact CZ-CB 4.19Å; F366-F495 HydrophobicContact CZ-CD2 4.4Å; F366-F495 HydrophobicContact CZ-CG 4.19Å; F366-F496 HydrophobicContact CD2-CZ 4.06Å; F366-F496 AromaticContact CE1-CE2 3.99Å; F366-F496 HydrophobicContact CE1-CE2 3.99Å; F366-F496 HydrophobicContact CE1-CZ 4.38Å; F366-F496 AromaticContact CE2-CE2 3.98Å; F366-F496 HydrophobicContact CE2-CE2 3.98Å; F366-F496 AromaticContact CE2-CZ 3.54Å; F366-F496 HydrophobicContact CE2-CZ 3.54Å; F366-F496 AromaticContact CZ-CE2 3.67Å; F366-F496 HydrophobicContact CZ-CE2 3.67Å; F366-F496 AromaticContact CZ-CZ 3.72Å; F366-F496 HydrophobicContact CZ-CZ 3.72Å
367L96.7Very high91.3Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-65.5-40.3179.2-73.4174000112C363 E364 L370 M371 L414 L483 F486 V491C363-L367 WeakPolarHBondContact O-CB 3.23Å; C363-L367 WeakPolarHBondContact O-CG 3.17Å; C363-L367 PolarHBondContact O-N 3.34Å; E364-L367 PolarHBondContact O-N 3.1Å; L367-L370 HydrophobicContact CD2-CD2 4.15Å; L367-L370 WeakPolarHBondContact O-CB 3.37Å; L367-L370 PolarHBondContact O-N 2.77Å; L367-M371 VanDerWaalsContact O-CG 3.3Å; L367-M371 WeakPolarHBondContact O-CG 3.44Å; L367-M371 PolarHBondContact O-N 3.02Å; L367-L414 HydrophobicContact CD2-CD2 3.62Å; L367-L483 HydrophobicContact CB-CD2 3.91Å; L367-L483 HydrophobicContact CD1-CD2 4.37Å; L367-F486 HydrophobicContact CD1-CB 3.92Å; L367-F486 HydrophobicContact CD1-CD1 4.44Å; L367-F486 HydrophobicContact CD1-CD2 3.42Å; L367-F486 VanDerWaalsContact CD1-CD2 3.42Å; L367-F486 HydrophobicContact CD1-CE2 4Å; L367-F486 HydrophobicContact CD1-CG 3.66Å; L367-V491 HydrophobicContact CD2-CG1 4.37Å
368L96.4Very high91.2Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-63-41.9173.1-75.3171.4000112E364 I365 L370 M371 Q372 F417 L434 K435 A438 L480 L483E364-L368 WeakPolarHBondContact O-CG 3.15Å; E364-L368 PolarHBondContact O-N 3.22Å; I365-L368 PolarHBondContact O-N 2.93Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-M371 PolarHBondContact O-N 3.35Å; L368-Q372 PolarHBondContact O-N 3.34Å; L368-F417 HydrophobicContact CD2-CZ 4.34Å; L368-L434 HydrophobicContact CD1-CB 4.3Å; L368-L434 HydrophobicContact CD2-CB 4.42Å; L368-K435 HydrophobicContact CB-CG 3.86Å; L368-K435 HydrophobicContact CD1-CB 4.42Å; L368-K435 HydrophobicContact CD1-CG 3.94Å; L368-A438 HydrophobicContact CD1-CB 3.97Å; L368-L480 HydrophobicContact CD1-CD2 4.42Å; L368-L483 HydrophobicContact CD1-CD1 3.79Å; L368-L483 HydrophobicContact CD2-CD1 4.02Å; L368-L483 HydrophobicContact CG-CD1 3.73Å; L368-L483 HydrophobicContact CG-CD2 4.32Å
369G95Very high91.1Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-62.7-39.1172.600000112.7F308 I365 F366 M371 Q372 C373F308-G369 VanDerWaalsContact CE1-CA 3.48Å; I365-G369 PolarHBondContact O-N 3.36Å; F366-G369 PolarHBondContact O-N 3.07Å; G369-M371 VanDerWaalsContact C-N 3.33Å; G369-M371 PolarHBondContact O-N 3.22Å; G369-Q372 PolarHBondContact O-N 3.35Å; G369-C373 PolarHBondContact O-N 3.11Å
370L94.4Very high91.1Very high4 Ų418.5 Ų18.52%0.02111%0.112CC..Hα-helixtrans-62.7-41.1177.7-173.375.7000111.3L332 F366 L367 L368 A374 F377 L379 F495L332-L370 HydrophobicContact CD2-CB 3.82Å; L332-L370 HydrophobicContact CD2-CD1 3.63Å; L332-L370 HydrophobicContact CD2-CG 4.35Å; F366-L370 HydrophobicContact CE1-CD2 4.42Å; F366-L370 HydrophobicContact CZ-CD1 4.32Å; F366-L370 VanDerWaalsContact O-CB 3.31Å; F366-L370 WeakPolarHBondContact O-CB 3.44Å; F366-L370 PolarHBondContact O-N 2.94Å; L367-L370 HydrophobicContact CD2-CD2 4.15Å; L367-L370 WeakPolarHBondContact O-CB 3.37Å; L367-L370 PolarHBondContact O-N 2.77Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L370-A374 WeakPolarHBondContact O-CA 3.37Å; L370-A374 PolarHBondContact O-N 3.29Å; L370-A374 VanDerWaalsContact O-N 3.1Å; L370-F377 HydrophobicContact CD1-CE2 4.13Å; L370-F377 HydrophobicContact CD1-CZ 3.65Å; L370-F377 HydrophobicContact CG-CZ 4.47Å; L370-L379 HydrophobicContact CD1-CD1 4.32Å; L370-L379 HydrophobicContact CD2-CD1 4.24Å; L370-L379 HydrophobicContact CD2-CD2 4.03Å; L370-L379 HydrophobicContact CG-CD1 4.32Å; L370-L379 HydrophobicContact CG-CD2 3.82Å; L370-F495 HydrophobicContact CD1-CE1 4.13Å; L370-F495 HydrophobicContact CD1-CZ 4.43Å; L370-F495 HydrophobicContact CD2-CE1 4.01Å; L370-F495 HydrophobicContact CD2-CE2 3.83Å; L370-F495 HydrophobicContact CD2-CZ 3.47Å; L370-F495 VanDerWaalsContact CD2-CZ 3.47Å
371M95.1Very high91.1Very high7 Ų721.5 Ų21.53%0.03413%0.13CC..Hα-helixtrans-70.3-40.7176.3-64-53123.100112.2L367 L368 G369 C373 A374 L379 L414 F417 L418 I421 F431L367-M371 VanDerWaalsContact O-CG 3.3Å; L367-M371 WeakPolarHBondContact O-CG 3.44Å; L367-M371 PolarHBondContact O-N 3.02Å; L368-M371 PolarHBondContact O-N 3.35Å; G369-M371 VanDerWaalsContact C-N 3.33Å; G369-M371 PolarHBondContact O-N 3.22Å; M371-C373 VanDerWaalsContact C-N 3.28Å; M371-C373 PolarHBondContact O-N 3.5Å; M371-A374 VanDerWaalsContact O-CB 3.25Å; M371-A374 WeakPolarHBondContact O-CB 2.98Å; M371-A374 PolarHBondContact O-N 3.16Å; M371-L379 HydrophobicContact CE-CD2 3.62Å; M371-L379 HydrophobicContact SD-CD2 4.15Å; M371-L414 HydrophobicContact CE-CD2 4.19Å; M371-F417 HydrophobicContact CE-CD1 4.1Å; M371-F417 HydrophobicContact CG-CD1 3.66Å; M371-F417 HydrophobicContact CG-CE1 3.44Å; M371-F417 VanDerWaalsContact CG-CE1 3.44Å; M371-F417 HydrophobicContact CG-CZ 4.23Å; M371-F417 HydrophobicContact SD-CD1 3.87Å; M371-F417 HydrophobicContact SD-CE1 4.29Å; M371-L418 HydrophobicContact SD-CB 3.98Å; M371-L418 HydrophobicContact SD-CD1 4.05Å; M371-I421 HydrophobicContact CB-CB 4.49Å; M371-I421 HydrophobicContact CB-CG1 4.05Å; M371-I421 HydrophobicContact CB-CG2 4.17Å; M371-I421 HydrophobicContact CG-CG1 4.05Å; M371-F431 HydrophobicContact CB-CE1 4.33Å
372Q94.3Very high90.9Very high20 Ų2022.1 Ų22.19%0.09313%0.133CC..Hα-helixtrans-62-37.3177-172.2171.310.200112.1F308 L368 G369 D428 F431F308-Q372 HydrophobicContact CD1-CB 4.34Å; F308-Q372 HydrophobicContact CD1-CG 4.28Å; L368-Q372 PolarHBondContact O-N 3.34Å; G369-Q372 PolarHBondContact O-N 3.35Å; Q372-D428 PolarHBondContact NE2-OD1 3.06Å; Q372-F431 HydrophobicContact CB-CD1 4Å; Q372-F431 HydrophobicContact CB-CD2 4.07Å; Q372-F431 HydrophobicContact CB-CE1 4Å; Q372-F431 HydrophobicContact CB-CE2 4.08Å; Q372-F431 HydrophobicContact CB-CG 4.03Å; Q372-F431 HydrophobicContact CB-CZ 4.03Å; Q372-F431 HydrophobicContact CG-CB 4.42Å; Q372-F431 HydrophobicContact CG-CD1 4.46Å; Q372-F431 HydrophobicContact CG-CD2 3.74Å; Q372-F431 HydrophobicContact CG-CE2 4.02Å; Q372-F431 HydrophobicContact CG-CG 3.97Å; Q372-F431 HydrophobicContact CG-CZ 4.49Å
373C91.8Very high90.7Very high0 Ų022 Ų220%013%0.133CC..THydrogen-bonded Turntrans-93.58.5178.5-58.20000113.8G369 M371 S375 Q376 F377G369-C373 PolarHBondContact O-N 3.11Å; M371-C373 VanDerWaalsContact C-N 3.28Å; M371-C373 PolarHBondContact O-N 3.5Å; C373-S375 VanDerWaalsContact C-N 3.27Å; C373-S375 PolarHBondContact O-N 3.02Å; C373-Q376 WeakPolarHBondContact O-CB 3.49Å; C373-Q376 PolarHBondContact O-N 2.73Å; C373-F377 HydrophobicContact CB-CD1 4.44Å; C373-F377 HydrophobicContact CB-CE1 3.69Å; C373-F377 WeakPolarHBondContact O-CD1 3.42Å; C373-F377 WeakPolarHBondContact O-CE1 3.34Å
374A90.6Very high90.5Very high7 Ų725.1 Ų25.16%0.05815%0.152CC..THydrogen-bonded Turntrans-59.1-34.8-169.400000114L370 M371 C378 L379 L418L370-A374 WeakPolarHBondContact O-CA 3.37Å; L370-A374 PolarHBondContact O-N 3.29Å; L370-A374 VanDerWaalsContact O-N 3.1Å; M371-A374 VanDerWaalsContact O-CB 3.25Å; M371-A374 WeakPolarHBondContact O-CB 2.98Å; M371-A374 PolarHBondContact O-N 3.16Å; A374-C378 PolarHBondContact O-N 3.41Å; A374-C378 VanDerWaalsContact O-N 3.16Å; A374-L379 HydrophobicContact CB-CB 3.85Å; A374-L379 HydrophobicContact CB-CD2 3.93Å; A374-L379 PolarHBondContact O-N 2.92Å; A374-L418 HydrophobicContact CB-CD1 3.47Å; A374-L418 VanDerWaalsContact CB-CD1 3.47Å
375S84Confident90Very high102 Ų10226 Ų2671%0.71316%0.162SC*.THydrogen-bonded Turntrans-71.7-31.4177.956.70000112.9C373 F377C373-S375 VanDerWaalsContact C-N 3.27Å; C373-S375 PolarHBondContact O-N 3.02Å; S375-F377 VanDerWaalsContact C-N 3.26Å; S375-F377 PolarHBondContact O-N 3.38Å
376Q83.7Confident89.6Confident64 Ų6426 Ų2630%0.29916%0.162SC..THydrogen-bonded Turntrans-66.6-28.3-174.8-58.6-179.314.500112.5L310 V312 C373L310-Q376 PolarHBondContact O-OE1 2.85Å; L310-Q376 VanDerWaalsContact O-OE1 3.1Å; V312-Q376 HydrophobicContact CG2-CB 3.9Å; C373-Q376 WeakPolarHBondContact O-CB 3.49Å; C373-Q376 PolarHBondContact O-N 2.73Å
377F79.2Confident89.3Confident5 Ų526.7 Ų26.72%0.02217%0.167CC..THydrogen-bonded Turntrans-130.118.7-179.858.3-99.8000114.2L310 V312 L316 Y324 T328 L370 C373 S375 L379 M382L310-F377 HydrophobicContact CD2-CD1 4.39Å; L310-F377 HydrophobicContact CD2-CE1 4.33Å; V312-F377 HydrophobicContact CG1-CB 4.41Å; V312-F377 HydrophobicContact CG2-CD1 4.46Å; L316-F377 HydrophobicContact CD2-CB 4.38Å; Y324-F377 HydrophobicContact CE1-CB 4.34Å; T328-F377 HydrophobicContact CG2-CD1 3.75Å; T328-F377 HydrophobicContact CG2-CE1 4.11Å; T328-F377 HydrophobicContact CG2-CG 4.01Å; L370-F377 HydrophobicContact CD1-CE2 4.13Å; L370-F377 HydrophobicContact CD1-CZ 3.65Å; L370-F377 HydrophobicContact CG-CZ 4.47Å; C373-F377 HydrophobicContact CB-CD1 4.44Å; C373-F377 HydrophobicContact CB-CE1 3.69Å; C373-F377 WeakPolarHBondContact O-CD1 3.42Å; C373-F377 WeakPolarHBondContact O-CE1 3.34Å; S375-F377 VanDerWaalsContact C-N 3.26Å; S375-F377 PolarHBondContact O-N 3.38Å; F377-L379 HydrophobicContact CD2-CB 4.41Å; F377-L379 HydrophobicContact CE2-CB 3.79Å; F377-L379 HydrophobicContact CE2-CD1 4Å; F377-L379 HydrophobicContact CE2-CG 4.37Å; F377-M382 HydrophobicContact CD2-CE 3.21Å; F377-M382 HydrophobicContact CD2-SD 4.18Å; F377-M382 HydrophobicContact CE2-CE 3.39Å; F377-M382 HydrophobicContact CG-CE 4.44Å
378C83.9Confident88.8Confident60 Ų6030 Ų3041%0.40519%0.188SC..THydrogen-bonded Turntrans55.853.1175.5-60.50000114A374 G380 N381 M382A374-C378 PolarHBondContact O-N 3.41Å; A374-C378 VanDerWaalsContact O-N 3.16Å; C378-G380 VanDerWaalsContact C-N 3.29Å; C378-G380 PolarHBondContact O-N 3.46Å; C378-N381 HydrophobicContact CB-CB 4.32Å; C378-N381 PolarHBondContact O-N 3.21Å; C378-N381 VanDerWaalsContact O-N 3.08Å; C378-M382 PolarHBondContact O-N 3.47Å
379L88.6Confident88.1Confident1 Ų132.9 Ų32.91%0.00520%0.199CC..Hα-helixtrans-51.5-42.8-176.4-179.762000113.9L370 M371 A374 F377 N381 M382 L383 L418 F495L370-L379 HydrophobicContact CD1-CD1 4.32Å; L370-L379 HydrophobicContact CD2-CD1 4.24Å; L370-L379 HydrophobicContact CD2-CD2 4.03Å; L370-L379 HydrophobicContact CG-CD1 4.32Å; L370-L379 HydrophobicContact CG-CD2 3.82Å; M371-L379 HydrophobicContact CE-CD2 3.62Å; M371-L379 HydrophobicContact SD-CD2 4.15Å; A374-L379 HydrophobicContact CB-CB 3.85Å; A374-L379 HydrophobicContact CB-CD2 3.93Å; A374-L379 PolarHBondContact O-N 2.92Å; F377-L379 HydrophobicContact CD2-CB 4.41Å; F377-L379 HydrophobicContact CE2-CB 3.79Å; F377-L379 HydrophobicContact CE2-CD1 4Å; F377-L379 HydrophobicContact CE2-CG 4.37Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 3.18Å; L379-M382 HydrophobicContact CD1-CE 3.89Å; L379-M382 WeakPolarHBondContact O-CB 3.37Å; L379-M382 PolarHBondContact O-N 3.1Å; L379-M382 VanDerWaalsContact O-N 3.11Å; L379-L383 HydrophobicContact CD1-CD1 4.13Å; L379-L383 HydrophobicContact CD1-CD2 4.3Å; L379-L383 HydrophobicContact CD1-CG 3.93Å; L379-L383 HydrophobicContact CD2-CD1 4.45Å; L379-L383 HydrophobicContact CG-CD1 3.91Å; L379-L383 HydrophobicContact CG-CG 4.16Å; L379-L383 WeakPolarHBondContact O-CG 3.24Å; L379-L383 PolarHBondContact O-N 2.81Å; L379-L418 HydrophobicContact CB-CD2 4.34Å; L379-L418 HydrophobicContact CD2-CD1 4.44Å; L379-L418 HydrophobicContact CD2-CD2 4.4Å; L379-L418 HydrophobicContact CG-CD2 4.32Å; L379-F495 HydrophobicContact CD1-CE1 4.1Å; L379-F495 HydrophobicContact CD1-CZ 4.19Å
380G88.9Confident87.7Confident25 Ų2533 Ų3326%0.25820%0.2SC..Hα-helixtrans-58-41179.600000113.2C378 T384C378-G380 VanDerWaalsContact C-N 3.29Å; C378-G380 PolarHBondContact O-N 3.46Å; G380-T384 WeakPolarHBondContact O-CB 3.25Å; G380-T384 PolarHBondContact O-N 2.88Å; G380-T384 PolarHBondContact O-OG1 3.04Å
381N86.4Confident87.4Confident121 Ų12136.7 Ų36.765%0.64722%0.217SC*.Hα-helixtrans-67.8-41176.4-67.5-7.4000111.1C378 L379 T384 A385C378-N381 HydrophobicContact CB-CB 4.32Å; C378-N381 PolarHBondContact O-N 3.21Å; C378-N381 VanDerWaalsContact O-N 3.08Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 3.18Å; N381-T384 PolarHBondContact O-N 3.21Å; N381-A385 WeakPolarHBondContact O-CB 3.45Å; N381-A385 PolarHBondContact O-N 3.03Å
382M86.7Confident86.8Confident22 Ų2238.1 Ų38.111%0.10823%0.226CC..Hα-helixtrans-62.8-46177.1-62.6-163-51.300111.8I325 F377 C378 L379 T384 A385 M386I325-M382 HydrophobicContact CG1-SD 3.87Å; F377-M382 HydrophobicContact CD2-CE 3.21Å; F377-M382 HydrophobicContact CD2-SD 4.18Å; F377-M382 HydrophobicContact CE2-CE 3.39Å; F377-M382 HydrophobicContact CG-CE 4.44Å; C378-M382 PolarHBondContact O-N 3.47Å; L379-M382 HydrophobicContact CD1-CE 3.89Å; L379-M382 WeakPolarHBondContact O-CB 3.37Å; L379-M382 PolarHBondContact O-N 3.1Å; L379-M382 VanDerWaalsContact O-N 3.11Å; M382-T384 VanDerWaalsContact C-N 3.33Å; M382-T384 PolarHBondContact O-N 2.84Å; M382-A385 PolarHBondContact O-N 2.78Å; M382-M386 WeakPolarHBondContact O-CB 3.26Å; M382-M386 VanDerWaalsContact O-CG 3.25Å; M382-M386 WeakPolarHBondContact O-CG 3.42Å; M382-M386 PolarHBondContact O-N 3.36Å
383L90.1Very high86Confident0 Ų037.4 Ų37.40%022%0.223CC..Hα-helixtrans-62.5-40.7178-68.4174.5000111.7L379 M386 A387 I411 L414 Q415 F495L379-L383 HydrophobicContact CD1-CD1 4.13Å; L379-L383 HydrophobicContact CD1-CD2 4.3Å; L379-L383 HydrophobicContact CD1-CG 3.93Å; L379-L383 HydrophobicContact CD2-CD1 4.45Å; L379-L383 HydrophobicContact CG-CD1 3.91Å; L379-L383 HydrophobicContact CG-CG 4.16Å; L379-L383 WeakPolarHBondContact O-CG 3.24Å; L379-L383 PolarHBondContact O-N 2.81Å; L383-M386 HydrophobicContact CD2-SD 4.28Å; L383-M386 PolarHBondContact O-N 3.47Å; L383-A387 WeakPolarHBondContact O-CB 3.13Å; L383-A387 PolarHBondContact O-N 3.38Å; L383-I411 HydrophobicContact CB-CG2 4.32Å; L383-L414 HydrophobicContact CD1-CB 3.79Å; L383-L414 HydrophobicContact CD2-CB 4.11Å; L383-L414 HydrophobicContact CD2-CD1 3.81Å; L383-Q415 HydrophobicContact CB-CG 3.86Å; L383-Q415 HydrophobicContact CD1-CG 3.97Å; L383-F495 HydrophobicContact CD2-CZ 4.3Å
384T89Confident85.7Confident69 Ų6940.4 Ų40.442%0.42324%0.236SC..Hα-helixtrans-64.5-42176.5-56.30000111.7G380 N381 M382 A387 T388 Q415G380-T384 WeakPolarHBondContact O-CB 3.25Å; G380-T384 PolarHBondContact O-N 2.88Å; G380-T384 PolarHBondContact O-OG1 3.04Å; N381-T384 PolarHBondContact O-N 3.21Å; M382-T384 VanDerWaalsContact C-N 3.33Å; M382-T384 PolarHBondContact O-N 2.84Å; T384-A387 PolarHBondContact O-N 3.22Å; T384-T388 WeakPolarHBondContact O-CB 3.22Å; T384-T388 PolarHBondContact O-N 2.96Å; T384-T388 PolarHBondContact O-OG1 2.65Å; T384-Q415 PolarHBondContact OG1-NE2 3.22Å
385A84.4Confident85.5Confident37 Ų3745.8 Ų45.831%0.30626%0.263SS..Hα-helixtrans-66.2-39.7174.800000112L320 N381 M382 T388 Y389L320-A385 HydrophobicContact CB-CB 4.39Å; L320-A385 HydrophobicContact CD1-CB 3.91Å; N381-A385 WeakPolarHBondContact O-CB 3.45Å; N381-A385 PolarHBondContact O-N 3.03Å; M382-A385 PolarHBondContact O-N 2.78Å; A385-T388 PolarHBondContact O-N 2.78Å; A385-Y389 WeakPolarHBondContact O-CB 3.46Å; A385-Y389 PolarHBondContact O-N 3.03Å
386M87.7Confident85.5Confident3 Ų347.5 Ų47.52%0.01526%0.264CS..Hα-helixtrans-61.4-45.8172.9-72.2173177.800111.7L320 I325 M382 L383 T388 Y389 L390 I411 L494 F495L320-M386 HydrophobicContact CD1-CG 4.17Å; I325-M386 HydrophobicContact CD1-CE 3.59Å; I325-M386 HydrophobicContact CG1-CE 4.21Å; I325-M386 HydrophobicContact CG2-CE 3.8Å; M382-M386 WeakPolarHBondContact O-CB 3.26Å; M382-M386 VanDerWaalsContact O-CG 3.25Å; M382-M386 WeakPolarHBondContact O-CG 3.42Å; M382-M386 PolarHBondContact O-N 3.36Å; L383-M386 HydrophobicContact CD2-SD 4.28Å; L383-M386 PolarHBondContact O-N 3.47Å; M386-T388 PolarHBondContact O-N 3.27Å; M386-Y389 PolarHBondContact O-N 3.03Å; M386-L390 VanDerWaalsContact O-CB 3.31Å; M386-L390 WeakPolarHBondContact O-CB 3.34Å; M386-L390 PolarHBondContact O-N 3.2Å; M386-I411 HydrophobicContact CB-CD1 4.17Å; M386-L494 HydrophobicContact SD-CD2 4.45Å; M386-F495 HydrophobicContact CE-CE1 4.48Å
387A88.6Confident85.2Confident13 Ų1347.5 Ų47.511%0.10728%0.281CS..Hα-helixtrans-60.5-45.5176.900000111.8L383 T384 Y389 L390 H391 I411L383-A387 WeakPolarHBondContact O-CB 3.13Å; L383-A387 PolarHBondContact O-N 3.38Å; T384-A387 PolarHBondContact O-N 3.22Å; A387-Y389 VanDerWaalsContact C-N 3.34Å; A387-Y389 PolarHBondContact O-N 3.4Å; A387-L390 PolarHBondContact O-N 2.75Å; A387-H391 WeakPolarHBondContact O-CB 3.24Å; A387-H391 PolarHBondContact O-N 3.28Å; A387-I411 HydrophobicContact CB-CG2 3.96Å
388T86.9Confident85Confident70 Ų7049.5 Ų49.543%0.42930%0.298SS..Hα-helixtrans-62.7-42.5178.2-55.50000111.3T384 A385 M386 H391 T392T384-T388 WeakPolarHBondContact O-CB 3.22Å; T384-T388 PolarHBondContact O-N 2.96Å; T384-T388 PolarHBondContact O-OG1 2.65Å; A385-T388 PolarHBondContact O-N 2.78Å; M386-T388 PolarHBondContact O-N 3.27Å; T388-H391 PolarHBondContact O-N 2.7Å; T388-T392 PolarHBondContact O-N 3.39Å; T388-T392 PolarHBondContact O-OG1 3.35Å
389Y81.9Confident84.6Confident61 Ų6147.4 Ų47.424%0.23928%0.283CS..Hα-helixtrans-65-44.3176.3-178.3-90.8000111.7P50 F53 A385 M386 A387 H391 T392 C393P50-Y389 PolarHBondContact O-OH 2.92Å; F53-Y389 AromaticContact CD1-CD1 3.91Å; F53-Y389 HydrophobicContact CD1-CD1 3.91Å; F53-Y389 AromaticContact CD1-CE1 3.31Å; F53-Y389 HydrophobicContact CD1-CE1 3.31Å; F53-Y389 AromaticContact CE1-CD1 3.72Å; F53-Y389 HydrophobicContact CE1-CD1 3.72Å; F53-Y389 AromaticContact CE1-CE1 3.6Å; F53-Y389 HydrophobicContact CE1-CE1 3.6Å; F53-Y389 HydrophobicContact CG-CE1 4.13Å; F53-Y389 HydrophobicContact CZ-CD1 4.49Å; A385-Y389 WeakPolarHBondContact O-CB 3.46Å; A385-Y389 PolarHBondContact O-N 3.03Å; M386-Y389 PolarHBondContact O-N 3.03Å; A387-Y389 VanDerWaalsContact C-N 3.34Å; A387-Y389 PolarHBondContact O-N 3.4Å; Y389-H391 PolarHBondContact O-N 3.45Å; Y389-T392 WeakPolarHBondContact O-CB 3.3Å; Y389-T392 PolarHBondContact O-N 3.36Å; Y389-C393 WeakPolarHBondContact CE1-SG 3.2Å; Y389-C393 VanDerWaalsContact CZ-SG 3.6Å; Y389-C393 PolarHBondContact O-N 3.13Å; Y389-C393 PolarHBondContact O-SG 2.73Å
390L86Confident84.3Confident1 Ų149.7 Ų49.71%0.00530%0.299CS..Hα-helixtrans-58.6-46.9176.5-177.971.8000111.1M386 A387 T392 C393 F394 L399 Y404 V407 Q408 I411M386-L390 VanDerWaalsContact O-CB 3.31Å; M386-L390 WeakPolarHBondContact O-CB 3.34Å; M386-L390 PolarHBondContact O-N 3.2Å; A387-L390 PolarHBondContact O-N 2.75Å; L390-T392 VanDerWaalsContact C-N 3.34Å; L390-T392 PolarHBondContact O-N 3.46Å; L390-C393 WeakPolarHBondContact O-CB 3.31Å; L390-C393 PolarHBondContact O-N 2.97Å; L390-F394 PolarHBondContact O-N 3.17Å; L390-L399 HydrophobicContact CD1-CD1 3.55Å; L390-L399 HydrophobicContact CG-CD1 4.49Å; L390-Y404 HydrophobicContact CD1-CD2 4.45Å; L390-Y404 HydrophobicContact CD2-CD2 4.03Å; L390-Y404 HydrophobicContact CD2-CE2 4.07Å; L390-Y404 HydrophobicContact CG-CD2 3.75Å; L390-Y404 HydrophobicContact CG-CE2 3.93Å; L390-V407 HydrophobicContact CD1-CB 4.14Å; L390-V407 HydrophobicContact CD1-CG1 4.03Å; L390-V407 HydrophobicContact CD2-CB 3.87Å; L390-V407 HydrophobicContact CD2-CG1 3.79Å; L390-Q408 HydrophobicContact CD2-CB 3.85Å; L390-I411 HydrophobicContact CD2-CD1 3.96Å
391H87.2Confident84.2Confident82 Ų8252.2 Ų52.238%0.3831%0.31SS..Hα-helixtrans-61.4-41.7176.1-17272.3000112.1A387 T388 Y389 C393 F394 L395 Y404A387-H391 WeakPolarHBondContact O-CB 3.24Å; A387-H391 PolarHBondContact O-N 3.28Å; T388-H391 PolarHBondContact O-N 2.7Å; Y389-H391 PolarHBondContact O-N 3.45Å; H391-C393 VanDerWaalsContact C-N 3.31Å; H391-C393 PolarHBondContact O-N 3.03Å; H391-F394 WeakPolarHBondContact O-CB 3.4Å; H391-F394 PolarHBondContact O-N 2.94Å; H391-L395 WeakPolarHBondContact O-CG 3.17Å; H391-L395 PolarHBondContact O-N 2.8Å; H391-Y404 HydrophobicContact CB-CE2 4.22Å; H391-Y404 AromaticContact ND1-CZ 3.73Å; H391-Y404 PolarHBondContact ND1-OH 2.82Å
392T83.1Confident84.2Confident38 Ų3853.9 Ų53.923%0.23331%0.313CS..Hα-helixtrans-60.8-41.4174.8-56.10000111.5T388 Y389 L390 F394 L395 L396T388-T392 PolarHBondContact O-N 3.39Å; T388-T392 PolarHBondContact O-OG1 3.35Å; Y389-T392 WeakPolarHBondContact O-CB 3.3Å; Y389-T392 PolarHBondContact O-N 3.36Å; L390-T392 VanDerWaalsContact C-N 3.34Å; L390-T392 PolarHBondContact O-N 3.46Å; T392-F394 VanDerWaalsContact C-N 3.33Å; T392-F394 PolarHBondContact O-N 3.3Å; T392-L395 PolarHBondContact O-N 3.44Å; T392-L396 HydrophobicContact CG2-CD1 4.13Å; T392-L396 VanDerWaalsContact O-CG 3.3Å; T392-L396 WeakPolarHBondContact O-CG 3.33Å; T392-L396 PolarHBondContact O-N 3.47Å
393C78.4Confident83.9Confident4 Ų454.4 Ų54.43%0.02732%0.315CS..Hα-helixtrans-65.2-37.5177.7-65.10000112.5L54 Y389 L390 H391 L396 G397 A398 L399L54-C393 HydrophobicContact CD2-CB 4.11Å; Y389-C393 WeakPolarHBondContact CE1-SG 3.2Å; Y389-C393 VanDerWaalsContact CZ-SG 3.6Å; Y389-C393 PolarHBondContact O-N 3.13Å; Y389-C393 PolarHBondContact O-SG 2.73Å; L390-C393 WeakPolarHBondContact O-CB 3.31Å; L390-C393 PolarHBondContact O-N 2.97Å; H391-C393 VanDerWaalsContact C-N 3.31Å; H391-C393 PolarHBondContact O-N 3.03Å; C393-L396 PolarHBondContact O-N 3.31Å; C393-G397 PolarHBondContact O-N 3.04Å; C393-A398 HydrophobicContact CB-CB 4.45Å; C393-A398 WeakPolarHBondContact O-CB 3.41Å; C393-A398 PolarHBondContact O-N 2.95Å; C393-L399 HydrophobicContact CB-CD1 3.61Å; C393-L399 HydrophobicContact CB-CG 4.12Å
394F84.4Confident83.7Confident63 Ų6356.1 Ų56.128%0.27632%0.322SS..Hα-helixtrans-62.1-47.8173174.2-108.5000111.6L390 H391 T392 L396 G397 V401 Y404L390-F394 PolarHBondContact O-N 3.17Å; H391-F394 WeakPolarHBondContact O-CB 3.4Å; H391-F394 PolarHBondContact O-N 2.94Å; T392-F394 VanDerWaalsContact C-N 3.33Å; T392-F394 PolarHBondContact O-N 3.3Å; F394-L396 VanDerWaalsContact C-N 3.26Å; F394-L396 PolarHBondContact O-N 3.02Å; F394-G397 PolarHBondContact O-N 3.27Å; F394-V401 HydrophobicContact CE2-CB 4.39Å; F394-V401 HydrophobicContact CE2-CG2 3.86Å; F394-V401 HydrophobicContact CZ-CG2 4.3Å; F394-Y404 HydrophobicContact CB-CD2 3.56Å; F394-Y404 HydrophobicContact CB-CE2 4.07Å; F394-Y404 HydrophobicContact CB-CG 3.85Å; F394-Y404 HydrophobicContact CD1-CD1 4.31Å; F394-Y404 HydrophobicContact CD1-CE1 4.39Å; F394-Y404 HydrophobicContact CD1-CG 4.43Å; F394-Y404 HydrophobicContact CD2-CD1 4.12Å; F394-Y404 HydrophobicContact CD2-CD2 4.41Å; F394-Y404 AromaticContact CD2-CG 3.81Å; F394-Y404 HydrophobicContact CD2-CG 3.81Å; F394-Y404 HydrophobicContact CE2-CD1 4.43Å; F394-Y404 HydrophobicContact CE2-CG 4.5Å; F394-Y404 HydrophobicContact CG-CD1 4.06Å; F394-Y404 AromaticContact CG-CD2 3.98Å; F394-Y404 HydrophobicContact CG-CD2 3.98Å; F394-Y404 HydrophobicContact CG-CE2 4.48Å; F394-Y404 AromaticContact CG-CG 3.76Å; F394-Y404 HydrophobicContact CG-CG 3.76Å
395L86.3Confident83.7Confident121 Ų12158.5 Ų58.563%0.63433%0.329SS*.Hα-helixtrans-62.3-31.2177.3-66.6178.5000113.3H391 T392 G397H391-L395 WeakPolarHBondContact O-CG 3.17Å; H391-L395 PolarHBondContact O-N 2.8Å; T392-L395 PolarHBondContact O-N 3.44Å; L395-G397 PolarHBondContact O-N 2.92Å
396L84.1Confident83.9Confident138 Ų13859.8 Ų59.872%0.72333%0.328SS*.THydrogen-bonded Turntrans-78.1-0.7174.9-67.8173000113.5T392 C393 F394 A398T392-L396 HydrophobicContact CG2-CD1 4.13Å; T392-L396 VanDerWaalsContact O-CG 3.3Å; T392-L396 WeakPolarHBondContact O-CG 3.33Å; T392-L396 PolarHBondContact O-N 3.47Å; C393-L396 PolarHBondContact O-N 3.31Å; F394-L396 VanDerWaalsContact C-N 3.26Å; F394-L396 PolarHBondContact O-N 3.02Å; L396-A398 PolarHBondContact O-N 3.5Å
397G78.6Confident83.9Confident63 Ų6360 Ų6065%0.64933%0.33SS*.THydrogen-bonded Turntrans69.520-178.200000113.8C393 F394 L395 L399C393-G397 PolarHBondContact O-N 3.04Å; F394-G397 PolarHBondContact O-N 3.27Å; L395-G397 PolarHBondContact O-N 2.92Å; G397-L399 VanDerWaalsContact C-N 3.32Å
398A75.2Confident84Confident48 Ų4861.6 Ų61.640%0.39734%0.335SS..  trans-82-12.5-179.600000113.1L54 C393 L396L54-A398 HydrophobicContact CD2-CB 4.17Å; C393-A398 HydrophobicContact CB-CB 4.45Å; C393-A398 WeakPolarHBondContact O-CB 3.41Å; C393-A398 PolarHBondContact O-N 2.95Å; L396-A398 PolarHBondContact O-N 3.5Å
399L75.3Confident84.3Confident15 Ų1564.6 Ų64.68%0.07934%0.344CS..SBendtrans-130.4145.5-176.6-61.4170.9000110L57 L390 C393 G397L57-L399 HydrophobicContact CB-CD2 3.71Å; L57-L399 HydrophobicContact CD1-CD2 3.86Å; L57-L399 HydrophobicContact CD2-CD2 4.5Å; L57-L399 HydrophobicContact CG-CD2 4.24Å; L390-L399 HydrophobicContact CD1-CD1 3.55Å; L390-L399 HydrophobicContact CG-CD1 4.49Å; C393-L399 HydrophobicContact CB-CD1 3.61Å; C393-L399 HydrophobicContact CB-CG 4.12Å; G397-L399 VanDerWaalsContact C-N 3.32Å
400S82.1Confident84.8Confident50 Ų5062.5 Ų62.535%0.3534%0.336SS..  trans-69.2156.6165.661.80000110.7E402 Q403 Y404S400-E402 PolarHBondContact O-N 3.24Å; S400-Q403 VanDerWaalsContact N-OE1 3.16Å; S400-Q403 PolarHBondContact O-N 3.05Å; S400-Q403 WeakPolarHBondContact OG-CB 3.47Å; S400-Q403 VanDerWaalsContact OG-CD 3.31Å; S400-Q403 WeakPolarHBondContact OG-CG 3.41Å; S400-Q403 PolarHBondContact OG-N 3.38Å; S400-Q403 PolarHBondContact OG-OE1 2.76Å; S400-Y404 PolarHBondContact O-N 3.14Å
401V87Confident85.1Confident78 Ų7862.5 Ų62.547%0.47334%0.336SS..Hα-helixtrans-55.3-44.9174.5179.90000110.2F394 Q403 Y404 E405F394-V401 HydrophobicContact CE2-CB 4.39Å; F394-V401 HydrophobicContact CE2-CG2 3.86Å; F394-V401 HydrophobicContact CZ-CG2 4.3Å; V401-Q403 PolarHBondContact O-N 2.63Å; V401-Y404 WeakPolarHBondContact O-CB 3.49Å; V401-Y404 PolarHBondContact O-N 3.38Å; V401-E405 HydrophobicContact CG1-CG 4.28Å; V401-E405 WeakPolarHBondContact O-CG 3.25Å; V401-E405 PolarHBondContact O-N 3.06Å
402E85.4Confident85.5Confident155 Ų15561.9 Ų61.972%0.72434%0.338SS*.Hα-helixtrans-59.8-46.1-180-62.4172.3-173.300112.3S400 E406S400-E402 PolarHBondContact O-N 3.24Å; E402-E406 WeakPolarHBondContact O-CB 3.24Å; E402-E406 PolarHBondContact O-N 2.76Å
403Q80.4Confident86Confident33 Ų3361.6 Ų61.615%0.15434%0.338CS..Hα-helixtrans-66.5-38.3177.4-73.7168.8-51.800112.1L57 S60 S400 V401 V407L57-Q403 PolarHBondContact O-NE2 2.82Å; S60-Q403 PolarHBondContact OG-NE2 3.21Å; S400-Q403 VanDerWaalsContact N-OE1 3.16Å; S400-Q403 PolarHBondContact O-N 3.05Å; S400-Q403 WeakPolarHBondContact OG-CB 3.47Å; S400-Q403 VanDerWaalsContact OG-CD 3.31Å; S400-Q403 WeakPolarHBondContact OG-CG 3.41Å; S400-Q403 PolarHBondContact OG-N 3.38Å; S400-Q403 PolarHBondContact OG-OE1 2.76Å; V401-Q403 PolarHBondContact O-N 2.63Å; Q403-V407 VanDerWaalsContact O-CG2 3.3Å; Q403-V407 WeakPolarHBondContact O-CG2 3.28Å; Q403-V407 PolarHBondContact O-N 3.29Å; Q403-V407 VanDerWaalsContact O-N 3.14Å
404Y85.3Confident86.8Confident37 Ų3761.5 Ų61.515%0.14534%0.337CS..Hα-helixtrans-62.5-51.8176.8171.5-106.3000110.8L390 H391 F394 S400 V401 E406 V407 Q408L390-Y404 HydrophobicContact CD1-CD2 4.45Å; L390-Y404 HydrophobicContact CD2-CD2 4.03Å; L390-Y404 HydrophobicContact CD2-CE2 4.07Å; L390-Y404 HydrophobicContact CG-CD2 3.75Å; L390-Y404 HydrophobicContact CG-CE2 3.93Å; H391-Y404 HydrophobicContact CB-CE2 4.22Å; H391-Y404 AromaticContact ND1-CZ 3.73Å; H391-Y404 PolarHBondContact ND1-OH 2.82Å; F394-Y404 HydrophobicContact CB-CD2 3.56Å; F394-Y404 HydrophobicContact CB-CE2 4.07Å; F394-Y404 HydrophobicContact CB-CG 3.85Å; F394-Y404 HydrophobicContact CD1-CD1 4.31Å; F394-Y404 HydrophobicContact CD1-CE1 4.39Å; F394-Y404 HydrophobicContact CD1-CG 4.43Å; F394-Y404 HydrophobicContact CD2-CD1 4.12Å; F394-Y404 HydrophobicContact CD2-CD2 4.41Å; F394-Y404 AromaticContact CD2-CG 3.81Å; F394-Y404 HydrophobicContact CD2-CG 3.81Å; F394-Y404 HydrophobicContact CE2-CD1 4.43Å; F394-Y404 HydrophobicContact CE2-CG 4.5Å; F394-Y404 HydrophobicContact CG-CD1 4.06Å; F394-Y404 AromaticContact CG-CD2 3.98Å; F394-Y404 HydrophobicContact CG-CD2 3.98Å; F394-Y404 HydrophobicContact CG-CE2 4.48Å; F394-Y404 AromaticContact CG-CG 3.76Å; F394-Y404 HydrophobicContact CG-CG 3.76Å; S400-Y404 PolarHBondContact O-N 3.14Å; V401-Y404 WeakPolarHBondContact O-CB 3.49Å; V401-Y404 PolarHBondContact O-N 3.38Å; Y404-E406 PolarHBondContact O-N 3.47Å; Y404-V407 PolarHBondContact O-N 3.05Å; Y404-Q408 HydrophobicContact CE2-CB 4.39Å; Y404-Q408 WeakPolarHBondContact O-CB 3.3Å; Y404-Q408 PolarHBondContact O-N 2.67Å
405E90Very high87.3Confident119 Ų11961.2 Ų61.256%0.55634%0.336SS*.Hα-helixtrans-60.8-45.1179.9-71.4179.3162.600111.6V401 V407 Q408 E409V401-E405 HydrophobicContact CG1-CG 4.28Å; V401-E405 WeakPolarHBondContact O-CG 3.25Å; V401-E405 PolarHBondContact O-N 3.06Å; E405-V407 PolarHBondContact O-N 2.91Å; E405-Q408 PolarHBondContact O-N 3.11Å; E405-E409 VanDerWaalsContact O-CB 3.32Å; E405-E409 WeakPolarHBondContact O-CB 3.39Å; E405-E409 PolarHBondContact O-N 3.31Å
406E88Confident87.8Confident64 Ų6457.6 Ų57.630%0.29932%0.324SS..Hα-helixtrans-62.7-45.7-178.8-158.4-175.2175.700111.8E402 Y404 H410 I490E402-E406 WeakPolarHBondContact O-CB 3.24Å; E402-E406 PolarHBondContact O-N 2.76Å; Y404-E406 PolarHBondContact O-N 3.47Å; E406-H410 PolarHBondContact O-N 3.48Å; E406-H410 PolarHBondContact O-ND1 3.34Å; E406-I490 HydrophobicContact CB-CD1 4.4Å; E406-I490 HydrophobicContact CG-CD1 3.54Å
407V88.6Confident88.3Confident7 Ų751 Ų514%0.04229%0.289CS..Hα-helixtrans-73.2-39179.6-178.20000111.2L57 L390 Q403 Y404 E405 E409 H410 I411 I490 L494L57-V407 HydrophobicContact CD2-CG2 4.41Å; L390-V407 HydrophobicContact CD1-CB 4.14Å; L390-V407 HydrophobicContact CD1-CG1 4.03Å; L390-V407 HydrophobicContact CD2-CB 3.87Å; L390-V407 HydrophobicContact CD2-CG1 3.79Å; Q403-V407 VanDerWaalsContact O-CG2 3.3Å; Q403-V407 WeakPolarHBondContact O-CG2 3.28Å; Q403-V407 PolarHBondContact O-N 3.29Å; Q403-V407 VanDerWaalsContact O-N 3.14Å; Y404-V407 PolarHBondContact O-N 3.05Å; E405-V407 PolarHBondContact O-N 2.91Å; V407-E409 PolarHBondContact O-N 2.9Å; V407-H410 PolarHBondContact O-N 3.35Å; V407-I411 HydrophobicContact CG1-CD1 4.12Å; V407-I411 HydrophobicContact CG1-CG1 4.48Å; V407-I411 WeakPolarHBondContact O-CG1 3.48Å; V407-I411 PolarHBondContact O-N 3.36Å; V407-I490 HydrophobicContact CG2-CG2 4.48Å; V407-L494 HydrophobicContact CG1-CD2 3.95Å
408Q90.8Very high89.1Confident47 Ų4748.4 Ų48.422%0.2226%0.261CS..Hα-helixtrans-64.1-39.7178.8-179.664.516.700111.8L390 Y404 E405 H410 I411 T412L390-Q408 HydrophobicContact CD2-CB 3.85Å; Y404-Q408 HydrophobicContact CE2-CB 4.39Å; Y404-Q408 WeakPolarHBondContact O-CB 3.3Å; Y404-Q408 PolarHBondContact O-N 2.67Å; E405-Q408 PolarHBondContact O-N 3.11Å; Q408-H410 VanDerWaalsContact C-N 3.29Å; Q408-H410 PolarHBondContact O-N 3Å; Q408-I411 PolarHBondContact O-N 3.47Å; Q408-T412 WeakPolarHBondContact O-CB 3.18Å; Q408-T412 PolarHBondContact O-N 3.38Å; Q408-T412 PolarHBondContact O-OG1 3.43Å
409E92.3Very high90.1Very high133 Ų13351.2 Ų51.262%0.62127%0.265SS*.Hα-helixtrans-56.9-45173.8-177.5-177.7-174.400110.8E405 V407 T412 C413E405-E409 VanDerWaalsContact O-CB 3.32Å; E405-E409 WeakPolarHBondContact O-CB 3.39Å; E405-E409 PolarHBondContact O-N 3.31Å; V407-E409 PolarHBondContact O-N 2.9Å; E409-T412 PolarHBondContact O-N 3.47Å; E409-C413 WeakPolarHBondContact O-CB 3.33Å; E409-C413 PolarHBondContact O-N 3.11Å
410H92.1Very high91Very high17 Ų1754.7 Ų54.78%0.07928%0.277CS..Hα-helixtrans-68.5-40.3179.8-74.468.7000112.6E406 V407 Q408 T412 C413 L414 N487 I490E406-H410 PolarHBondContact O-N 3.48Å; E406-H410 PolarHBondContact O-ND1 3.34Å; V407-H410 PolarHBondContact O-N 3.35Å; Q408-H410 VanDerWaalsContact C-N 3.29Å; Q408-H410 PolarHBondContact O-N 3Å; H410-T412 VanDerWaalsContact C-N 3.34Å; H410-C413 PolarHBondContact O-N 3.1Å; H410-L414 WeakPolarHBondContact O-CG 3.47Å; H410-L414 PolarHBondContact O-N 3.4Å; H410-N487 WeakPolarHBondContact NE2-CB 3.49Å; H410-N487 PolarHBondContact NE2-N 3.05Å; H410-I490 HydrophobicContact CB-CG2 3.7Å; H410-I490 VanDerWaalsContact CE1-CD1 3.46Å; H410-I490 WeakPolarHBondContact CE1-CD1 3.43Å; H410-I490 WeakPolarHBondContact ND1-CD1 3.4Å
411I92Very high91.6Very high1 Ų152.7 Ų52.71%0.00526%0.263CS..Hα-helixtrans-63.1-43.7174.9-64.1170.9000110.3L383 M386 A387 L390 V407 Q408 C413 L414 Q415 L494L383-I411 HydrophobicContact CB-CG2 4.32Å; M386-I411 HydrophobicContact CB-CD1 4.17Å; A387-I411 HydrophobicContact CB-CG2 3.96Å; L390-I411 HydrophobicContact CD2-CD1 3.96Å; V407-I411 HydrophobicContact CG1-CD1 4.12Å; V407-I411 HydrophobicContact CG1-CG1 4.48Å; V407-I411 WeakPolarHBondContact O-CG1 3.48Å; V407-I411 PolarHBondContact O-N 3.36Å; Q408-I411 PolarHBondContact O-N 3.47Å; I411-C413 VanDerWaalsContact C-N 3.34Å; I411-C413 PolarHBondContact O-N 2.89Å; I411-L414 PolarHBondContact O-N 3.03Å; I411-Q415 WeakPolarHBondContact O-CG 3.3Å; I411-Q415 PolarHBondContact O-N 2.98Å; I411-L494 HydrophobicContact CD1-CD2 4.04Å; I411-L494 HydrophobicContact CG1-CD1 4.19Å; I411-L494 HydrophobicContact CG1-CD2 3.93Å
412T95.1Very high91.9Very high68 Ų6854.5 Ų54.542%0.41727%0.266SS..Hα-helixtrans-62.8-42.4177.7-530000111Q408 E409 H410 Q415 A416Q408-T412 WeakPolarHBondContact O-CB 3.18Å; Q408-T412 PolarHBondContact O-N 3.38Å; Q408-T412 PolarHBondContact O-OG1 3.43Å; E409-T412 PolarHBondContact O-N 3.47Å; H410-T412 VanDerWaalsContact C-N 3.34Å; T412-Q415 PolarHBondContact O-N 3.34Å; T412-A416 WeakPolarHBondContact O-CB 3.32Å; T412-A416 PolarHBondContact O-N 2.9Å
413C95.2Very high92.3Very high33 Ų3353.1 Ų53.122%0.22326%0.259CS..Hα-helixtrans-63.6-40.3175.6-170.40000112E409 H410 I411 A416 F417 F486E409-C413 WeakPolarHBondContact O-CB 3.33Å; E409-C413 PolarHBondContact O-N 3.11Å; H410-C413 PolarHBondContact O-N 3.1Å; I411-C413 VanDerWaalsContact C-N 3.34Å; I411-C413 PolarHBondContact O-N 2.89Å; C413-A416 PolarHBondContact O-N 3.33Å; C413-F417 WeakPolarHBondContact O-CB 3.32Å; C413-F417 PolarHBondContact O-N 3.24Å; C413-F486 HydrophobicContact CB-CE1 3.8Å; C413-F486 HydrophobicContact CB-CZ 4.05Å; C413-F486 WeakPolarHBondContact SG-CZ 3.36Å
414L95Very high92.9Very high1 Ų152.4 Ų52.41%0.00526%0.26CS..Hα-helixtrans-62.5-42.9174-75.9171.8000112L367 M371 L383 H410 I411 F417 L418 F486 L494 F495L367-L414 HydrophobicContact CD2-CD2 3.62Å; M371-L414 HydrophobicContact CE-CD2 4.19Å; L383-L414 HydrophobicContact CD1-CB 3.79Å; L383-L414 HydrophobicContact CD2-CB 4.11Å; L383-L414 HydrophobicContact CD2-CD1 3.81Å; H410-L414 WeakPolarHBondContact O-CG 3.47Å; H410-L414 PolarHBondContact O-N 3.4Å; I411-L414 PolarHBondContact O-N 3.03Å; L414-F417 PolarHBondContact O-N 2.89Å; L414-L418 WeakPolarHBondContact O-CB 3.43Å; L414-L418 PolarHBondContact O-N 2.7Å; L414-F486 HydrophobicContact CB-CE1 4.44Å; L414-F486 HydrophobicContact CD2-CD1 4.28Å; L414-F486 HydrophobicContact CD2-CE1 3.59Å; L414-F486 HydrophobicContact CD2-CZ 3.75Å; L414-F486 HydrophobicContact CG-CD1 4.4Å; L414-F486 HydrophobicContact CG-CE1 3.6Å; L414-F486 HydrophobicContact CG-CZ 4.12Å; L414-L494 HydrophobicContact CD1-CD1 3.93Å; L414-F495 HydrophobicContact CD1-CE2 3.89Å; L414-F495 HydrophobicContact CD1-CZ 4.14Å
415Q95.1Very high93.3Very high58 Ų5858.2 Ų58.227%0.27129%0.286SS..Hα-helixtrans-63.1-45.7176.7-71.4174.7-48.300111.5L383 T384 I411 T412 F417 L418 Q419L383-Q415 HydrophobicContact CB-CG 3.86Å; L383-Q415 HydrophobicContact CD1-CG 3.97Å; T384-Q415 PolarHBondContact OG1-NE2 3.22Å; I411-Q415 WeakPolarHBondContact O-CG 3.3Å; I411-Q415 PolarHBondContact O-N 2.98Å; T412-Q415 PolarHBondContact O-N 3.34Å; Q415-F417 VanDerWaalsContact C-N 3.3Å; Q415-F417 PolarHBondContact O-N 2.83Å; Q415-L418 PolarHBondContact O-N 2.85Å; Q415-Q419 PolarHBondContact O-N 3.41Å
416A95.2Very high93.5Very high44 Ų4453.3 Ų53.336%0.36426%0.264SS..Hα-helixtrans-65.5-32.4176.700000112.7T412 C413 R420T412-A416 WeakPolarHBondContact O-CB 3.32Å; T412-A416 PolarHBondContact O-N 2.9Å; C413-A416 PolarHBondContact O-N 3.33Å; A416-R420 PolarHBondContact O-N 3Å
417F95.8Very high93.7Very high0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-71.4-43.4174.5-173.8-136.6000111.8L368 M371 C413 L414 Q415 Q419 R420 I421 L479 T482 L483L368-F417 HydrophobicContact CD2-CZ 4.34Å; M371-F417 HydrophobicContact CE-CD1 4.1Å; M371-F417 HydrophobicContact CG-CD1 3.66Å; M371-F417 HydrophobicContact CG-CE1 3.44Å; M371-F417 VanDerWaalsContact CG-CE1 3.44Å; M371-F417 HydrophobicContact CG-CZ 4.23Å; M371-F417 HydrophobicContact SD-CD1 3.87Å; M371-F417 HydrophobicContact SD-CE1 4.29Å; C413-F417 WeakPolarHBondContact O-CB 3.32Å; C413-F417 PolarHBondContact O-N 3.24Å; L414-F417 PolarHBondContact O-N 2.89Å; Q415-F417 VanDerWaalsContact C-N 3.3Å; Q415-F417 PolarHBondContact O-N 2.83Å; F417-Q419 VanDerWaalsContact C-N 3.34Å; F417-Q419 PolarHBondContact O-N 2.84Å; F417-R420 PolarHBondContact O-N 2.75Å; F417-I421 HydrophobicContact CD2-CG1 4.23Å; F417-I421 HydrophobicContact CE2-CD1 3.97Å; F417-I421 HydrophobicContact CE2-CG1 3.94Å; F417-I421 HydrophobicContact CZ-CD1 4.03Å; F417-I421 HydrophobicContact CZ-CG1 4.11Å; F417-I421 WeakPolarHBondContact O-CG1 3.32Å; F417-I421 PolarHBondContact O-N 3.49Å; F417-L479 HydrophobicContact CE2-CB 4.2Å; F417-L479 HydrophobicContact CE2-CD2 4.3Å; F417-T482 HydrophobicContact CB-CG2 4.28Å; F417-T482 HydrophobicContact CD2-CG2 4.07Å; F417-T482 HydrophobicContact CG-CG2 4.22Å; F417-L483 HydrophobicContact CD1-CD2 4.47Å; F417-L483 HydrophobicContact CE1-CD2 3.53Å; F417-L483 HydrophobicContact CZ-CD2 3.67Å; F417-L483 HydrophobicContact CZ-CG 4.33Å
418L95.6Very high93.9Very high9 Ų957 Ų575%0.04729%0.288CS..Hα-helixtrans-56.9-47.4174.1177.160.7000111.2M371 A374 L379 L414 Q415 R420 I421 E422M371-L418 HydrophobicContact SD-CB 3.98Å; M371-L418 HydrophobicContact SD-CD1 4.05Å; A374-L418 HydrophobicContact CB-CD1 3.47Å; A374-L418 VanDerWaalsContact CB-CD1 3.47Å; L379-L418 HydrophobicContact CB-CD2 4.34Å; L379-L418 HydrophobicContact CD2-CD1 4.44Å; L379-L418 HydrophobicContact CD2-CD2 4.4Å; L379-L418 HydrophobicContact CG-CD2 4.32Å; L414-L418 WeakPolarHBondContact O-CB 3.43Å; L414-L418 PolarHBondContact O-N 2.7Å; Q415-L418 PolarHBondContact O-N 2.85Å; L418-R420 VanDerWaalsContact C-N 3.34Å; L418-R420 PolarHBondContact O-N 3.41Å; L418-I421 PolarHBondContact O-N 2.81Å; L418-I421 VanDerWaalsContact O-N 3.13Å; L418-E422 HydrophobicContact CD1-CG 4.21Å; L418-E422 HydrophobicContact CG-CG 4.47Å; L418-E422 WeakPolarHBondContact O-CG 3.49Å; L418-E422 PolarHBondContact O-N 3.09Å
419Q94.8Very high94Very high106 Ų10656.1 Ų56.150%0.49529%0.286SS..Hα-helixtrans-57.3-46.3177.2-177-177.7-9.500111.9Q415 F417 I421 E422 E423Q415-Q419 PolarHBondContact O-N 3.41Å; F417-Q419 VanDerWaalsContact C-N 3.34Å; F417-Q419 PolarHBondContact O-N 2.84Å; Q419-I421 VanDerWaalsContact C-N 3.29Å; Q419-I421 PolarHBondContact O-N 2.81Å; Q419-E422 PolarHBondContact O-N 3.44Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.48Å; Q419-E423 PolarHBondContact NE2-OE1 2.95Å; Q419-E423 WeakPolarHBondContact O-CG 3.21Å; Q419-E423 PolarHBondContact O-N 2.92Å
420R95Very high94.1Very high88 Ų8850.4 Ų50.433%0.33226%0.259SS..Hα-helixtrans-64.1-33.7177.7-77.7-172-69.1155.6-5.2113.2A416 F417 L418 A424 L479 T482A416-R420 PolarHBondContact O-N 3Å; F417-R420 PolarHBondContact O-N 2.75Å; L418-R420 VanDerWaalsContact C-N 3.34Å; L418-R420 PolarHBondContact O-N 3.41Å; R420-A424 VanDerWaalsContact O-CB 3.23Å; R420-A424 WeakPolarHBondContact O-CB 3.44Å; R420-A424 PolarHBondContact O-N 2.8Å; R420-L479 HydrophobicContact CB-CD2 4.19Å; R420-T482 VanDerWaalsContact CZ-OG1 3.26Å; R420-T482 PolarHBondContact NH1-OG1 3.29Å; R420-T482 PolarHBondContact NH2-OG1 2.85Å
421I95Very high94.2Very high8 Ų850 Ų504%0.04126%0.257CS..Hα-helixtrans-69.7-41.1174-67-72.4000110.8M371 F417 L418 Q419 E423 A424 K425 P426 F431 L479M371-I421 HydrophobicContact CB-CB 4.49Å; M371-I421 HydrophobicContact CB-CG1 4.05Å; M371-I421 HydrophobicContact CB-CG2 4.17Å; M371-I421 HydrophobicContact CG-CG1 4.05Å; F417-I421 HydrophobicContact CD2-CG1 4.23Å; F417-I421 HydrophobicContact CE2-CD1 3.97Å; F417-I421 HydrophobicContact CE2-CG1 3.94Å; F417-I421 HydrophobicContact CZ-CD1 4.03Å; F417-I421 HydrophobicContact CZ-CG1 4.11Å; F417-I421 WeakPolarHBondContact O-CG1 3.32Å; F417-I421 PolarHBondContact O-N 3.49Å; L418-I421 PolarHBondContact O-N 2.81Å; L418-I421 VanDerWaalsContact O-N 3.13Å; Q419-I421 VanDerWaalsContact C-N 3.29Å; Q419-I421 PolarHBondContact O-N 2.81Å; I421-E423 VanDerWaalsContact C-N 3.31Å; I421-E423 PolarHBondContact O-N 3.31Å; I421-A424 PolarHBondContact O-N 3.24Å; I421-K425 PolarHBondContact O-N 2.82Å; I421-P426 HydrophobicContact CD1-CG 4.35Å; I421-P426 WeakPolarHBondContact O-CD 3.23Å; I421-F431 HydrophobicContact CD1-CE1 4.27Å; I421-F431 HydrophobicContact CD1-CZ 4.47Å; I421-F431 HydrophobicContact CG2-CE1 4.35Å; I421-F431 HydrophobicContact CG2-CZ 3.65Å; I421-L479 HydrophobicContact CD1-CD1 3.71Å; I421-L479 HydrophobicContact CD1-CD2 4.04Å; I421-L479 HydrophobicContact CD1-CG 4.35Å
422E93.2Very high94.3Very high116 Ų11650 Ų5054%0.54226%0.258SS..Hα-helixtrans-65.9-32.9176.6-72.9177.8177.300112.7L418 Q419 K425L418-E422 HydrophobicContact CD1-CG 4.21Å; L418-E422 HydrophobicContact CG-CG 4.47Å; L418-E422 WeakPolarHBondContact O-CG 3.49Å; L418-E422 PolarHBondContact O-N 3.09Å; Q419-E422 PolarHBondContact O-N 3.44Å; E422-K425 WeakPolarHBondContact O-CE 3.32Å; E422-K425 WeakPolarHBondContact O-CG 3.4Å
423E93.8Very high94.3Very high126 Ų12646.8 Ų46.859%0.58924%0.238SC*.Hα-helixtrans-72.5-45172.5-72.6169.5-17200111.5Q419 I421Q419-E423 WeakPolarHBondContact CG-OE1 3.48Å; Q419-E423 PolarHBondContact NE2-OE1 2.95Å; Q419-E423 WeakPolarHBondContact O-CG 3.21Å; Q419-E423 PolarHBondContact O-N 2.92Å; I421-E423 VanDerWaalsContact C-N 3.31Å; I421-E423 PolarHBondContact O-N 3.31Å
424A93.1Very high94.3Very high19 Ų1945.2 Ų45.216%0.15723%0.227CC..Hα-helixtrans-70.3-32.317900000112.7R420 I421 P426 R472 L479R420-A424 VanDerWaalsContact O-CB 3.23Å; R420-A424 WeakPolarHBondContact O-CB 3.44Å; R420-A424 PolarHBondContact O-N 2.8Å; I421-A424 PolarHBondContact O-N 3.24Å; A424-P426 HydrophobicContact CB-CG 4.34Å; A424-R472 VanDerWaalsContact O-CZ 3.24Å; A424-R472 PolarHBondContact O-NH1 3.46Å; A424-R472 PolarHBondContact O-NH2 3.4Å; A424-L479 HydrophobicContact CB-CD1 4.42Å
425K94Very high94.3Very high159 Ų15945.2 Ų45.269%0.69123%0.227SC*.  trans45.862.2-175-56-177.9-178.8175.20113.3I421 E422 R472I421-K425 PolarHBondContact O-N 2.82Å; E422-K425 WeakPolarHBondContact O-CE 3.32Å; E422-K425 WeakPolarHBondContact O-CG 3.4Å; K425-R472 PolarHBondContact O-NH2 3.11Å
426P93.6Very high94.1Very high15 Ų1542.4 Ų42.410%0.09721%0.214CC..  trans-64.5138.4176.6-14.529.3000111.1I421 A424 E430 F431 L476 L479I421-P426 HydrophobicContact CD1-CG 4.35Å; I421-P426 WeakPolarHBondContact O-CD 3.23Å; A424-P426 HydrophobicContact CB-CG 4.34Å; P426-E430 VanDerWaalsContact CA-OE2 3.23Å; P426-E430 WeakPolarHBondContact CA-OE2 3.47Å; P426-E430 HydrophobicContact CB-CB 4.08Å; P426-F431 HydrophobicContact CB-CD2 3.75Å; P426-F431 HydrophobicContact CB-CE2 3.68Å; P426-F431 HydrophobicContact CB-CG 4.23Å; P426-F431 HydrophobicContact CB-CZ 4.1Å; P426-F431 HydrophobicContact CG-CD2 4.47Å; P426-F431 HydrophobicContact CG-CE1 4.38Å; P426-F431 HydrophobicContact CG-CE2 3.95Å; P426-F431 HydrophobicContact CG-CZ 3.91Å; P426-F431 WeakPolarHBondContact O-CD2 3.34Å; P426-F431 WeakPolarHBondContact O-CE2 3.47Å; P426-L476 HydrophobicContact CB-CD2 4.01Å; P426-L476 HydrophobicContact CG-CD2 4.12Å; P426-L479 HydrophobicContact CG-CD1 4.32Å
427T93Very high94.1Very high75 Ų7540.7 Ų40.746%0.4620%0.199SC..  trans-71164.5170.264.40000110.8V429 E430 F431T427-V429 PolarHBondContact O-N 2.94Å; T427-E430 PolarHBondContact N-OE2 3.38Å; T427-E430 PolarHBondContact O-N 3.16Å; T427-E430 VanDerWaalsContact O-N 3.09Å; T427-E430 VanDerWaalsContact OG1-CG 3.26Å; T427-E430 WeakPolarHBondContact OG1-CG 3.33Å; T427-E430 PolarHBondContact OG1-N 3.47Å; T427-E430 PolarHBondContact OG1-OE2 2.86Å; T427-F431 WeakPolarHBondContact O-CD2 3.46Å; T427-F431 PolarHBondContact O-N 3.29Å
428D92.3Very high93.9Very high75 Ų7540.9 Ų40.940%0.40120%0.2SC..Hα-helixtrans-57.7-37178-65.8-39.5000112.6A306 Q372 F431 G432A306-D428 HydrophobicContact CB-CB 4.32Å; Q372-D428 PolarHBondContact NE2-OD1 3.06Å; D428-F431 PolarHBondContact O-N 3.43Å; D428-G432 PolarHBondContact O-N 3.24Å
429V92.4Very high93.7Very high27 Ų2740.4 Ų40.416%0.16420%0.198CC..Hα-helixtrans-66.7-45.1176.2178.80000110.9A306 T427 G432 Y433A306-V429 HydrophobicContact CB-CB 4.33Å; A306-V429 HydrophobicContact CB-CG2 3.77Å; T427-V429 PolarHBondContact O-N 2.94Å; V429-G432 WeakPolarHBondContact O-CA 3.27Å; V429-G432 PolarHBondContact O-N 2.76Å; V429-G432 VanDerWaalsContact O-N 3.15Å; V429-Y433 HydrophobicContact CG1-CD2 3.77Å; V429-Y433 HydrophobicContact CG1-CE2 3.49Å; V429-Y433 VanDerWaalsContact CG1-CE2 3.49Å; V429-Y433 VanDerWaalsContact O-CD2 3.22Å; V429-Y433 WeakPolarHBondContact O-CD2 3.32Å; V429-Y433 PolarHBondContact O-N 2.89Å
430E94.7Very high93.4Very high14 Ų1435.4 Ų35.47%0.06517%0.174CC..Hα-helixtrans-62.6-43.5175.9-70.6170.1146.500111.4P426 T427 G432 Y433 L434 L464 V468 R472 L476P426-E430 VanDerWaalsContact CA-OE2 3.23Å; P426-E430 WeakPolarHBondContact CA-OE2 3.47Å; P426-E430 HydrophobicContact CB-CB 4.08Å; T427-E430 PolarHBondContact N-OE2 3.38Å; T427-E430 PolarHBondContact O-N 3.16Å; T427-E430 VanDerWaalsContact O-N 3.09Å; T427-E430 VanDerWaalsContact OG1-CG 3.26Å; T427-E430 WeakPolarHBondContact OG1-CG 3.33Å; T427-E430 PolarHBondContact OG1-N 3.47Å; T427-E430 PolarHBondContact OG1-OE2 2.86Å; E430-G432 VanDerWaalsContact C-N 3.29Å; E430-G432 PolarHBondContact O-N 3.14Å; E430-Y433 PolarHBondContact O-N 3.28Å; E430-L434 VanDerWaalsContact O-CG 3.31Å; E430-L434 WeakPolarHBondContact O-CG 3.23Å; E430-L434 PolarHBondContact O-N 3.43Å; E430-L464 HydrophobicContact CG-CD1 4.37Å; E430-V468 HydrophobicContact CG-CG1 4.5Å; E430-R472 IonicContact OE1-CZ 2.87Å; E430-R472 IonicContact OE1-NE 2.82Å; E430-R472 PolarHBondContact OE1-NE 3.01Å; E430-R472 IonicContact OE1-NH2 2.76Å; E430-R472 PolarHBondContact OE1-NH2 3.43Å; E430-R472 IonicContact OE2-CZ 2.87Å; E430-R472 IonicContact OE2-NE 3.29Å; E430-R472 IonicContact OE2-NH2 3.21Å; E430-R472 PolarHBondContact OE2-NH2 3.28Å; E430-L476 HydrophobicContact CB-CD1 4.11Å; E430-L476 HydrophobicContact CB-CD2 4.33Å; E430-L476 HydrophobicContact CG-CD1 3.78Å
431F94.9Very high93Very high9 Ų931.6 Ų31.64%0.03916%0.162CC..Hα-helixtrans-58.4-42.2171.4-89.9-67.3000112M371 Q372 I421 P426 T427 D428 L434 K435M371-F431 HydrophobicContact CB-CE1 4.33Å; Q372-F431 HydrophobicContact CB-CD1 4Å; Q372-F431 HydrophobicContact CB-CD2 4.07Å; Q372-F431 HydrophobicContact CB-CE1 4Å; Q372-F431 HydrophobicContact CB-CE2 4.08Å; Q372-F431 HydrophobicContact CB-CG 4.03Å; Q372-F431 HydrophobicContact CB-CZ 4.03Å; Q372-F431 HydrophobicContact CG-CB 4.42Å; Q372-F431 HydrophobicContact CG-CD1 4.46Å; Q372-F431 HydrophobicContact CG-CD2 3.74Å; Q372-F431 HydrophobicContact CG-CE2 4.02Å; Q372-F431 HydrophobicContact CG-CG 3.97Å; Q372-F431 HydrophobicContact CG-CZ 4.49Å; I421-F431 HydrophobicContact CD1-CE1 4.27Å; I421-F431 HydrophobicContact CD1-CZ 4.47Å; I421-F431 HydrophobicContact CG2-CE1 4.35Å; I421-F431 HydrophobicContact CG2-CZ 3.65Å; P426-F431 HydrophobicContact CB-CD2 3.75Å; P426-F431 HydrophobicContact CB-CE2 3.68Å; P426-F431 HydrophobicContact CB-CG 4.23Å; P426-F431 HydrophobicContact CB-CZ 4.1Å; P426-F431 HydrophobicContact CG-CD2 4.47Å; P426-F431 HydrophobicContact CG-CE1 4.38Å; P426-F431 HydrophobicContact CG-CE2 3.95Å; P426-F431 HydrophobicContact CG-CZ 3.91Å; P426-F431 WeakPolarHBondContact O-CD2 3.34Å; P426-F431 WeakPolarHBondContact O-CE2 3.47Å; T427-F431 WeakPolarHBondContact O-CD2 3.46Å; T427-F431 PolarHBondContact O-N 3.29Å; D428-F431 PolarHBondContact O-N 3.43Å; F431-L434 PolarHBondContact O-N 3.42Å; F431-K435 VanDerWaalsContact O-CG 3.32Å; F431-K435 WeakPolarHBondContact O-CG 3.16Å; F431-K435 PolarHBondContact O-N 2.92Å
432G93.6Very high92.3Very high1 Ų133.8 Ų33.81%0.0118%0.176CC..Hα-helixtrans-57.6-50.2175.300000111.9L301 W339 D428 V429 E430 L434 K435 L436L301-G432 VanDerWaalsContact CD1-C 3.48Å; W339-G432 VanDerWaalsContact CH2-CA 3.49Å; D428-G432 PolarHBondContact O-N 3.24Å; V429-G432 WeakPolarHBondContact O-CA 3.27Å; V429-G432 PolarHBondContact O-N 2.76Å; V429-G432 VanDerWaalsContact O-N 3.15Å; E430-G432 VanDerWaalsContact C-N 3.29Å; E430-G432 PolarHBondContact O-N 3.14Å; G432-L434 PolarHBondContact O-N 2.85Å; G432-K435 PolarHBondContact O-N 3.21Å; G432-L436 WeakPolarHBondContact O-CG 3.41Å; G432-L436 PolarHBondContact O-N 3.29Å
433Y94.4Very high91.3Very high0 Ų032.5 Ų32.50%017%0.172CC..Hα-helixtrans-62.7-41.2176.1-76.7-66.2000112.4L301 V429 E430 K435 L436 I437 T460 E463 L464 Q467L301-Y433 HydrophobicContact CD1-CD1 4.25Å; L301-Y433 HydrophobicContact CD1-CD2 4.28Å; L301-Y433 HydrophobicContact CD1-CE1 4.35Å; L301-Y433 HydrophobicContact CD1-CE2 4.37Å; L301-Y433 HydrophobicContact CD1-CG 4.2Å; V429-Y433 HydrophobicContact CG1-CD2 3.77Å; V429-Y433 HydrophobicContact CG1-CE2 3.49Å; V429-Y433 VanDerWaalsContact CG1-CE2 3.49Å; V429-Y433 VanDerWaalsContact O-CD2 3.22Å; V429-Y433 WeakPolarHBondContact O-CD2 3.32Å; V429-Y433 PolarHBondContact O-N 2.89Å; E430-Y433 PolarHBondContact O-N 3.28Å; Y433-K435 VanDerWaalsContact C-N 3.35Å; Y433-K435 PolarHBondContact O-N 3.41Å; Y433-L436 PolarHBondContact O-N 2.83Å; Y433-I437 VanDerWaalsContact O-CG1 3.24Å; Y433-I437 WeakPolarHBondContact O-CG1 3.41Å; Y433-I437 PolarHBondContact O-N 3.13Å; Y433-T460 HydrophobicContact CD1-CG2 3.66Å; Y433-T460 HydrophobicContact CE1-CG2 4.42Å; Y433-E463 HydrophobicContact CE1-CB 3.72Å; Y433-E463 PolarHBondContact OH-OE2 2.95Å; Y433-L464 HydrophobicContact CD1-CB 4.37Å; Y433-L464 HydrophobicContact CD2-CB 4.41Å; Y433-L464 HydrophobicContact CD2-CD1 3.97Å; Y433-L464 HydrophobicContact CG-CB 4.09Å; Y433-L464 HydrophobicContact CG-CD1 4.18Å; Y433-Q467 PolarHBondContact OH-NE2 3.5Å
434L95.4Very high89.9Confident0 Ų028.1 Ų28.10%016%0.155CC..Hα-helixtrans-60.3-42.3175.5-71.3175.3000112.2L368 E430 F431 G432 I437 A438 L476 L479 L480L368-L434 HydrophobicContact CD1-CB 4.3Å; L368-L434 HydrophobicContact CD2-CB 4.42Å; E430-L434 VanDerWaalsContact O-CG 3.31Å; E430-L434 WeakPolarHBondContact O-CG 3.23Å; E430-L434 PolarHBondContact O-N 3.43Å; F431-L434 PolarHBondContact O-N 3.42Å; G432-L434 PolarHBondContact O-N 2.85Å; L434-I437 PolarHBondContact O-N 3.45Å; L434-A438 WeakPolarHBondContact O-CB 3.48Å; L434-A438 PolarHBondContact O-N 3.38Å; L434-L476 HydrophobicContact CD1-CD2 4.3Å; L434-L476 HydrophobicContact CD2-CB 4.25Å; L434-L476 WeakPolarHBondContact CD2-O 3.35Å; L434-L479 HydrophobicContact CD1-CD1 4.03Å; L434-L480 HydrophobicContact CB-CD2 4.29Å; L434-L480 HydrophobicContact CD2-CD1 4.18Å; L434-L480 HydrophobicContact CD2-CD2 3.96Å; L434-L480 HydrophobicContact CD2-CG 3.97Å
435K94.5Very high88.2Confident0 Ų031.5 Ų31.50%019%0.193CC..Hα-helixtrans-62-44.1174.8-71.2171.2-168.7172.10111.3W339 I365 L368 F431 G432 Y433 A438 F439W339-K435 HydrophobicContact CE3-CD 3.94Å; W339-K435 HydrophobicContact CH2-CB 4.25Å; W339-K435 HydrophobicContact CH2-CD 4.16Å; W339-K435 HydrophobicContact CZ3-CB 3.8Å; W339-K435 HydrophobicContact CZ3-CD 3.73Å; W339-K435 HydrophobicContact CZ3-CG 4.44Å; I365-K435 HydrophobicContact CD1-CB 4.5Å; I365-K435 VanDerWaalsContact CD1-O 3.27Å; I365-K435 WeakPolarHBondContact CD1-O 3.26Å; L368-K435 HydrophobicContact CB-CG 3.86Å; L368-K435 HydrophobicContact CD1-CB 4.42Å; L368-K435 HydrophobicContact CD1-CG 3.94Å; F431-K435 VanDerWaalsContact O-CG 3.32Å; F431-K435 WeakPolarHBondContact O-CG 3.16Å; F431-K435 PolarHBondContact O-N 2.92Å; G432-K435 PolarHBondContact O-N 3.21Å; Y433-K435 VanDerWaalsContact C-N 3.35Å; Y433-K435 PolarHBondContact O-N 3.41Å; K435-A438 PolarHBondContact O-N 3.47Å; K435-F439 VanDerWaalsContact O-CB 3.27Å; K435-F439 WeakPolarHBondContact O-CB 3.32Å; K435-F439 PolarHBondContact O-N 2.98Å
436L92.9Very high86.5Confident0 Ų025.1 Ų25.10%017%0.171CC..Hα-helixtrans-65.4-39.8178.3-69.3179.7000112.5I300 L301 W339 L340 V343 L346 G432 Y433 F439 S440 F456 T460I300-L436 HydrophobicContact CG2-CD1 3.57Å; L301-L436 HydrophobicContact CD1-CD1 3.76Å; L301-L436 HydrophobicContact CD2-CD1 4.22Å; L301-L436 HydrophobicContact CG-CD1 3.9Å; W339-L436 HydrophobicContact CH2-CG 4.36Å; W339-L436 HydrophobicContact CZ3-CD2 4.5Å; L340-L436 HydrophobicContact CD1-CD2 3.82Å; V343-L436 HydrophobicContact CG1-CD1 4.38Å; V343-L436 HydrophobicContact CG1-CD2 4.26Å; V343-L436 HydrophobicContact CG2-CD2 4.26Å; L346-L436 HydrophobicContact CD1-CD2 4.47Å; G432-L436 WeakPolarHBondContact O-CG 3.41Å; G432-L436 PolarHBondContact O-N 3.29Å; Y433-L436 PolarHBondContact O-N 2.83Å; L436-F439 PolarHBondContact O-N 3.33Å; L436-S440 WeakPolarHBondContact O-CB 3.23Å; L436-S440 PolarHBondContact O-N 3.36Å; L436-S440 PolarHBondContact O-OG 3.22Å; L436-F456 HydrophobicContact CB-CE1 4.22Å; L436-F456 HydrophobicContact CD1-CZ 4.34Å; L436-F456 HydrophobicContact CD2-CE1 4.07Å; L436-F456 HydrophobicContact CD2-CZ 4.02Å; L436-T460 HydrophobicContact CB-CG2 3.53Å; L436-T460 HydrophobicContact CD1-CG2 4.23Å
437I93.3Very high84.6Confident8 Ų831 Ų314%0.04121%0.207CC..Hα-helixtrans-66.5-43.6175.5-64.3166.2000110.4Y433 L434 S440 A441 T460 L464 L477 L480Y433-I437 VanDerWaalsContact O-CG1 3.24Å; Y433-I437 WeakPolarHBondContact O-CG1 3.41Å; Y433-I437 PolarHBondContact O-N 3.13Å; L434-I437 PolarHBondContact O-N 3.45Å; I437-S440 PolarHBondContact O-N 3.39Å; I437-S440 PolarHBondContact O-OG 2.72Å; I437-A441 PolarHBondContact O-N 3.06Å; I437-T460 HydrophobicContact CD1-CG2 4.42Å; I437-T460 HydrophobicContact CG1-CG2 3.64Å; I437-L464 HydrophobicContact CD1-CD2 4.01Å; I437-L477 HydrophobicContact CD1-CD2 3.92Å; I437-L480 HydrophobicContact CB-CD1 4.07Å; I437-L480 HydrophobicContact CG2-CD1 3.48Å; I437-L480 VanDerWaalsContact CG2-CD1 3.48Å
438A92.9Very high83.2Confident3 Ų328.6 Ų28.63%0.02519%0.191CC..Hα-helixtrans-62.5-42.6176.500000111.7E364 I365 L368 L434 K435 L480 L483E364-A438 HydrophobicContact CB-CB 4.37Å; I365-A438 HydrophobicContact CD1-CB 4.09Å; L368-A438 HydrophobicContact CD1-CB 3.97Å; L434-A438 WeakPolarHBondContact O-CB 3.48Å; L434-A438 PolarHBondContact O-N 3.38Å; K435-A438 PolarHBondContact O-N 3.47Å; A438-L480 HydrophobicContact CB-CD2 4.19Å; A438-L483 HydrophobicContact CB-CD1 4.49Å
439F90.9Very high81.9Confident0 Ų029.7 Ų29.70%020%0.197CC..Hα-helixtrans-63.2-43.1177178.1-107.6000112.1L340 L346 L348 E354 V357 L358 I365 K435 L436 A441 L453L340-F439 HydrophobicContact CD1-CB 4.31Å; L340-F439 HydrophobicContact CD1-CD1 4.22Å; L340-F439 HydrophobicContact CD1-CD2 4.49Å; L340-F439 HydrophobicContact CD1-CG 4.08Å; L340-F439 HydrophobicContact CD2-CD1 4.19Å; L340-F439 HydrophobicContact CD2-CD2 3.34Å; L340-F439 HydrophobicContact CD2-CE1 4.22Å; L340-F439 HydrophobicContact CD2-CE2 3.38Å; L340-F439 HydrophobicContact CD2-CG 3.76Å; L340-F439 HydrophobicContact CD2-CZ 3.83Å; L346-F439 HydrophobicContact CD1-CD1 4.06Å; L346-F439 HydrophobicContact CD1-CE1 3.82Å; L346-F439 HydrophobicContact CD2-CE1 3.98Å; L346-F439 HydrophobicContact CD2-CZ 4.41Å; L346-F439 HydrophobicContact CG-CE1 4.31Å; L348-F439 HydrophobicContact CD1-CE1 3.48Å; L348-F439 VanDerWaalsContact CD1-CE1 3.48Å; L348-F439 HydrophobicContact CD1-CZ 3.86Å; E354-F439 HydrophobicContact CG-CZ 4.4Å; V357-F439 HydrophobicContact CB-CD2 4.44Å; V357-F439 HydrophobicContact CB-CE2 3.62Å; V357-F439 HydrophobicContact CB-CZ 3.79Å; V357-F439 HydrophobicContact CG1-CD2 3.57Å; V357-F439 HydrophobicContact CG1-CE1 4.23Å; V357-F439 HydrophobicContact CG1-CE2 3.22Å; V357-F439 HydrophobicContact CG1-CG 4.21Å; V357-F439 HydrophobicContact CG1-CZ 3.62Å; V357-F439 WeakPolarHBondContact CG1-O 3.44Å; L358-F439 HydrophobicContact CD2-CE2 4.28Å; L358-F439 HydrophobicContact CG-CE2 3.97Å; I365-F439 HydrophobicContact CD1-CB 3.86Å; K435-F439 VanDerWaalsContact O-CB 3.27Å; K435-F439 WeakPolarHBondContact O-CB 3.32Å; K435-F439 PolarHBondContact O-N 2.98Å; L436-F439 PolarHBondContact O-N 3.33Å; F439-A441 VanDerWaalsContact C-N 3.31Å; F439-A441 PolarHBondContact O-N 2.81Å; F439-L453 HydrophobicContact CE1-CD1 4.49Å
440S88.4Confident81Confident0 Ų031.8 Ų31.80%021%0.209CC..THydrogen-bonded Turntrans-86.57-175.360.30000115.3L436 I437 T442 L453 Q457L436-S440 WeakPolarHBondContact O-CB 3.23Å; L436-S440 PolarHBondContact O-N 3.36Å; L436-S440 PolarHBondContact O-OG 3.22Å; I437-S440 PolarHBondContact O-N 3.39Å; I437-S440 PolarHBondContact O-OG 2.72Å; S440-T442 PolarHBondContact O-N 3.36Å; S440-L453 WeakPolarHBondContact O-CG 3.5Å; S440-Q457 WeakPolarHBondContact OG-CA 3.48Å; S440-Q457 VanDerWaalsContact OG-CB 3.26Å; S440-Q457 WeakPolarHBondContact OG-CB 3.31Å; S440-Q457 WeakPolarHBondContact OG-CG 3.34Å
441A87.3Confident80.2Confident9 Ų933.8 Ų33.87%0.07423%0.228CC..  trans-69.6126.3-178.900000112.8R361 I437 F439 D443R361-A441 PolarHBondContact NH2-O 3.34Å; I437-A441 PolarHBondContact O-N 3.06Å; F439-A441 VanDerWaalsContact C-N 3.31Å; F439-A441 PolarHBondContact O-N 2.81Å; A441-D443 VanDerWaalsContact CB-OD1 3.22Å; A441-D443 WeakPolarHBondContact CB-OD1 3.27Å
442T79.3Confident79.4Confident54 Ų5438.9 Ų38.933%0.33125%0.252SS..  trans-93.910.9-171.959.60000115.1S440 S444 V450 L453 A454S440-T442 PolarHBondContact O-N 3.36Å; T442-S444 VanDerWaalsContact C-N 3.26Å; T442-S444 PolarHBondContact O-N 3.42Å; T442-V450 HydrophobicContact CG2-CG1 4.02Å; T442-L453 HydrophobicContact CG2-CB 4.33Å; T442-L453 HydrophobicContact CG2-CD2 4.3Å; T442-L453 HydrophobicContact CG2-CG 4.49Å; T442-A454 HydrophobicContact CG2-CB 4.19Å
443D73.5Confident78.9Confident89 Ų8939.2 Ų39.248%0.47625%0.253SS..  trans-73.5-11.9-176.354.4-74.1000114.6R361 A441 R484R361-D443 IonicContact CZ-OD1 2.63Å; R361-D443 IonicContact CZ-OD2 2.76Å; R361-D443 IonicContact NH1-OD1 3.38Å; R361-D443 IonicContact NH1-OD2 3.74Å; R361-D443 PolarHBondContact NH1-OD2 3.29Å; R361-D443 VanDerWaalsContact NH1-OD2 3.14Å; R361-D443 IonicContact NH2-OD1 2.63Å; R361-D443 PolarHBondContact NH2-OD1 2.82Å; R361-D443 IonicContact NH2-OD2 2.84Å; R361-D443 PolarHBondContact NH2-OD2 2.96Å; A441-D443 VanDerWaalsContact CB-OD1 3.22Å; A441-D443 WeakPolarHBondContact CB-OD1 3.27Å; D443-R484 IonicContact OD1-CZ 3.01Å; D443-R484 IonicContact OD1-NH1 3.98Å; D443-R484 PolarHBondContact OD1-NH1 2.65Å; D443-R484 IonicContact OD1-NH2 3.57Å; D443-R484 PolarHBondContact OD1-NH2 3.19Å; D443-R484 IonicContact OD2-CZ 3.34Å; D443-R484 VanDerWaalsContact OD2-CZ 3.23Å; D443-R484 IonicContact OD2-NH1 3.71Å; D443-R484 PolarHBondContact OD2-NH1 3.45Å; D443-R484 IonicContact OD2-NH2 3.68Å; D443-R484 PolarHBondContact OD2-NH2 3.19Å
444S64.4Low78.5Confident33 Ų3340.2 Ų40.223%0.23126%0.262CS..SBendtrans-86.8121174.3-63.20000109.5Q360 R361 T442 G446 F448Q360-S444 VanDerWaalsContact OE1-CB 3.23Å; R361-S444 PolarHBondContact NH2-OG 2.95Å; T442-S444 VanDerWaalsContact C-N 3.26Å; T442-S444 PolarHBondContact O-N 3.42Å; S444-G446 PolarHBondContact O-N 2.84Å; S444-F448 WeakPolarHBondContact O-CE2 3.4Å
445G56.1Low78Confident91 Ų9144 Ų4494%0.93828%0.282SS*.  trans-66.133.7-174.800000116.8
446G58.9Low77.6Confident24 Ų2445.4 Ų45.425%0.24729%0.288CS..  trans-72.8149.9171.400000111.9S444 F448S444-G446 PolarHBondContact O-N 2.84Å; G446-F448 WeakPolarHBondContact O-CD2 3.27Å; G446-F448 PolarHBondContact O-N 2.85Å
447T53.9Low77.4Confident138 Ų13847.6 Ų47.685%0.84730%0.298SS*.  trans-71.862.8170.654.60000109.7
448F63.9Low77.3Confident26 Ų2654 Ų5411%0.11432%0.322CS..  trans-77.6162.2174.3-58.4-74.4000109.2M356 V357 S444 G446 V450M356-F448 HydrophobicContact CE-CD1 3.46Å; M356-F448 VanDerWaalsContact CE-CD1 3.46Å; M356-F448 HydrophobicContact CE-CE1 3.55Å; M356-F448 HydrophobicContact CG-CE1 4Å; M356-F448 HydrophobicContact SD-CD1 4.45Å; M356-F448 HydrophobicContact SD-CE1 4.05Å; V357-F448 HydrophobicContact CG2-CD1 4Å; V357-F448 HydrophobicContact CG2-CE1 3.68Å; S444-F448 WeakPolarHBondContact O-CE2 3.4Å; G446-F448 WeakPolarHBondContact O-CD2 3.27Å; G446-F448 PolarHBondContact O-N 2.85Å; F448-V450 HydrophobicContact CB-CG2 3.98Å; F448-V450 PolarHBondContact O-N 2.79Å
449N63.7Low77.1Confident98 Ų9857.8 Ų57.852%0.52434%0.339SS..  trans-72.371.8153.5-158-24.1000107.5A451 H452 L453N449-A451 PolarHBondContact O-N 3.29Å; N449-H452 PolarHBondContact ND2-CD2 2.8Å; N449-H452 PolarHBondContact ND2-NE2 3.34Å; N449-H452 PolarHBondContact O-N 3.43Å; N449-L453 PolarHBondContact O-N 3.39Å
450V73.4Confident77.1Confident70 Ų7057.8 Ų57.842%0.42434%0.339SS..Hα-helixtrans-51.4-32.1-171.31780000110.5T442 F448 A454T442-V450 HydrophobicContact CG2-CG1 4.02Å; F448-V450 HydrophobicContact CB-CG2 3.98Å; F448-V450 PolarHBondContact O-N 2.79Å; V450-A454 WeakPolarHBondContact O-CB 3.29Å; V450-A454 PolarHBondContact O-N 2.97Å
451A79.4Confident77.3Confident57 Ų5759 Ų5947%0.47135%0.347SS..Hα-helixtrans-61.7-46.917800000113.2N449 N455N449-A451 PolarHBondContact O-N 3.29Å; A451-N455 WeakPolarHBondContact O-CB 3.48Å; A451-N455 PolarHBondContact O-N 3.07Å; A451-N455 PolarHBondContact O-ND2 3.25Å; A451-N455 PolarHBondContact O-OD1 3.15Å
452H78.6Confident77.5Confident116 Ų11666.8 Ų66.854%0.53738%0.375SS..Hα-helixtrans-67.8-44.6179.8-69.6-67.3000111.7N449 A454 N455 F456N449-H452 PolarHBondContact ND2-CD2 2.8Å; N449-H452 PolarHBondContact ND2-NE2 3.34Å; N449-H452 PolarHBondContact O-N 3.43Å; H452-A454 VanDerWaalsContact C-N 3.34Å; H452-A454 PolarHBondContact O-N 3.34Å; H452-N455 PolarHBondContact O-N 3.34Å; H452-F456 WeakPolarHBondContact O-CB 3.39Å; H452-F456 PolarHBondContact O-N 2.88Å
453L82.4Confident78Confident8 Ų865.5 Ų65.54%0.04237%0.365CS..Hα-helixtrans-65.3-40.4179.9-161.267.5000111.2V357 F439 S440 T442 N449 F456 Q457V357-L453 HydrophobicContact CG2-CD2 4.41Å; F439-L453 HydrophobicContact CE1-CD1 4.49Å; S440-L453 WeakPolarHBondContact O-CG 3.5Å; T442-L453 HydrophobicContact CG2-CB 4.33Å; T442-L453 HydrophobicContact CG2-CD2 4.3Å; T442-L453 HydrophobicContact CG2-CG 4.49Å; N449-L453 PolarHBondContact O-N 3.39Å; L453-F456 PolarHBondContact O-N 3.45Å; L453-Q457 WeakPolarHBondContact O-CB 2.97Å; L453-Q457 PolarHBondContact O-N 3.42Å
454A84.7Confident78.9Confident21 Ų2161.3 Ų61.317%0.17434%0.343CS..Hα-helixtrans-65.7-36.4173.600000112.7T442 V450 H452 R458T442-A454 HydrophobicContact CG2-CB 4.19Å; V450-A454 WeakPolarHBondContact O-CB 3.29Å; V450-A454 PolarHBondContact O-N 2.97Å; H452-A454 VanDerWaalsContact C-N 3.34Å; H452-A454 PolarHBondContact O-N 3.34Å; A454-R458 WeakPolarHBondContact O-CB 3.38Å; A454-R458 VanDerWaalsContact O-CG 3.27Å; A454-R458 WeakPolarHBondContact O-CG 3.22Å; A454-R458 PolarHBondContact O-N 3.37Å
455N85.4Confident80.2Confident80 Ų8062.3 Ų62.343%0.42835%0.349SS..Hα-helixtrans-65.4-45173.9-73.8-18.1000111.2A451 H452 R458 Q459A451-N455 WeakPolarHBondContact O-CB 3.48Å; A451-N455 PolarHBondContact O-N 3.07Å; A451-N455 PolarHBondContact O-ND2 3.25Å; A451-N455 PolarHBondContact O-OD1 3.15Å; H452-N455 PolarHBondContact O-N 3.34Å; N455-R458 PolarHBondContact O-N 3Å; N455-R458 PolarHBondContact OD1-NH2 3.24Å; N455-Q459 PolarHBondContact O-N 2.9Å
456F86.9Confident81.8Confident29 Ų2961.2 Ų61.213%0.12734%0.338CS..Hα-helixtrans-62.1-44.8176.3-175.9-94000111.6I300 S345 L346 L436 H452 L453 R458 Q459 T460I300-F456 HydrophobicContact CD1-CE2 4.46Å; I300-F456 HydrophobicContact CG2-CE2 4.43Å; I300-F456 HydrophobicContact CG2-CZ 4.24Å; S345-F456 WeakPolarHBondContact O-CE2 3.43Å; L346-F456 HydrophobicContact CD1-CD1 4.33Å; L346-F456 HydrophobicContact CD1-CE1 3.64Å; L346-F456 HydrophobicContact CD1-CE2 3.95Å; L346-F456 HydrophobicContact CD1-CZ 3.42Å; L346-F456 VanDerWaalsContact CD1-CZ 3.42Å; L436-F456 HydrophobicContact CB-CE1 4.22Å; L436-F456 HydrophobicContact CD1-CZ 4.34Å; L436-F456 HydrophobicContact CD2-CE1 4.07Å; L436-F456 HydrophobicContact CD2-CZ 4.02Å; H452-F456 WeakPolarHBondContact O-CB 3.39Å; H452-F456 PolarHBondContact O-N 2.88Å; L453-F456 PolarHBondContact O-N 3.45Å; F456-R458 VanDerWaalsContact C-N 3.34Å; F456-R458 PolarHBondContact O-N 3.18Å; F456-Q459 PolarHBondContact O-N 3.04Å; F456-T460 WeakPolarHBondContact O-CB 3.46Å; F456-T460 PolarHBondContact O-N 3.28Å; F456-T460 PolarHBondContact O-OG1 3.01Å
457Q89.3Confident83.2Confident45 Ų4563.5 Ų63.521%0.2134%0.342CS..Hα-helixtrans-58.4-46.3174.6-169179.842.500111.3S440 L453 Q459 T460 C461S440-Q457 WeakPolarHBondContact OG-CA 3.48Å; S440-Q457 VanDerWaalsContact OG-CB 3.26Å; S440-Q457 WeakPolarHBondContact OG-CB 3.31Å; S440-Q457 WeakPolarHBondContact OG-CG 3.34Å; L453-Q457 WeakPolarHBondContact O-CB 2.97Å; L453-Q457 PolarHBondContact O-N 3.42Å; Q457-Q459 PolarHBondContact O-N 2.93Å; Q457-T460 WeakPolarHBondContact O-CB 3.43Å; Q457-T460 PolarHBondContact O-N 2.87Å; Q457-C461 WeakPolarHBondContact O-CB 3.21Å; Q457-C461 PolarHBondContact O-N 2.85Å; Q457-C461 PolarHBondContact O-SG 2.63Å; Q457-C461 VanDerWaalsContact O-SG 3.36Å
458R89.3Confident84.9Confident144 Ų14458.3 Ų58.354%0.54331%0.31SS..Hα-helixtrans-61.1-42.6177.6-78.3-172.2-73.6-169.5-2112.4A454 N455 F456 C461 R462A454-R458 WeakPolarHBondContact O-CB 3.38Å; A454-R458 VanDerWaalsContact O-CG 3.27Å; A454-R458 WeakPolarHBondContact O-CG 3.22Å; A454-R458 PolarHBondContact O-N 3.37Å; N455-R458 PolarHBondContact O-N 3Å; N455-R458 PolarHBondContact OD1-NH2 3.24Å; F456-R458 VanDerWaalsContact C-N 3.34Å; F456-R458 PolarHBondContact O-N 3.18Å; R458-C461 PolarHBondContact O-N 3.26Å; R458-R462 WeakPolarHBondContact O-CB 3.29Å; R458-R462 VanDerWaalsContact O-CG 3.27Å; R458-R462 WeakPolarHBondContact O-CG 3.34Å; R458-R462 PolarHBondContact O-N 3.4Å
459Q89.6Confident86.3Confident82 Ų8261.9 Ų61.938%0.38333%0.33SS..Hα-helixtrans-63.6-46.3176.5-177.561.521.800111.1I300 N455 F456 Q457 C461 R462 E463I300-Q459 HydrophobicContact CD1-CB 4.17Å; I300-Q459 HydrophobicContact CD1-CG 3.58Å; I300-Q459 HydrophobicContact CG1-CG 4.35Å; N455-Q459 PolarHBondContact O-N 2.9Å; F456-Q459 PolarHBondContact O-N 3.04Å; Q457-Q459 PolarHBondContact O-N 2.93Å; Q459-C461 PolarHBondContact O-N 3.33Å; Q459-R462 PolarHBondContact O-N 2.94Å; Q459-E463 PolarHBondContact NE2-OE1 3.46Å; Q459-E463 PolarHBondContact O-N 3.35Å
460T90.6Very high87.6Confident0 Ų062.9 Ų62.90%034%0.336CS..Hα-helixtrans-57.7-46.8177.3-550000111.4Y433 L436 I437 F456 Q457 R462 E463 L464Y433-T460 HydrophobicContact CD1-CG2 3.66Å; Y433-T460 HydrophobicContact CE1-CG2 4.42Å; L436-T460 HydrophobicContact CB-CG2 3.53Å; L436-T460 HydrophobicContact CD1-CG2 4.23Å; I437-T460 HydrophobicContact CD1-CG2 4.42Å; I437-T460 HydrophobicContact CG1-CG2 3.64Å; F456-T460 WeakPolarHBondContact O-CB 3.46Å; F456-T460 PolarHBondContact O-N 3.28Å; F456-T460 PolarHBondContact O-OG1 3.01Å; Q457-T460 WeakPolarHBondContact O-CB 3.43Å; Q457-T460 PolarHBondContact O-N 2.87Å; T460-R462 PolarHBondContact O-N 3.22Å; T460-E463 PolarHBondContact O-N 3.28Å; T460-L464 PolarHBondContact O-N 2.91Å; T460-L464 VanDerWaalsContact O-N 3.08Å
461C92Very high88.5Confident25 Ų2565.7 Ų65.717%0.16935%0.348CS..Hα-helixtrans-63.8-39.5177-740000112.8Q457 R458 Q459 C465Q457-C461 WeakPolarHBondContact O-CB 3.21Å; Q457-C461 PolarHBondContact O-N 2.85Å; Q457-C461 PolarHBondContact O-SG 2.63Å; Q457-C461 VanDerWaalsContact O-SG 3.36Å; R458-C461 PolarHBondContact O-N 3.26Å; Q459-C461 PolarHBondContact O-N 3.33Å; C461-C465 WeakPolarHBondContact O-CB 3.43Å; C461-C465 PolarHBondContact O-N 3.46Å
462R91.6Very high89.2Confident173 Ų17365.9 Ų65.965%0.65334%0.337SS*.Hα-helixtrans-65.9-42.3177.6-77.4173.4179.3-178-2.4111.9R458 Q459 T460 C465 G466R458-R462 WeakPolarHBondContact O-CB 3.29Å; R458-R462 VanDerWaalsContact O-CG 3.27Å; R458-R462 WeakPolarHBondContact O-CG 3.34Å; R458-R462 PolarHBondContact O-N 3.4Å; Q459-R462 PolarHBondContact O-N 2.94Å; T460-R462 PolarHBondContact O-N 3.22Å; R462-C465 PolarHBondContact O-N 2.95Å; R462-G466 PolarHBondContact O-N 3.08Å
463E90.5Very high89.9Confident27 Ų2762.3 Ų62.313%0.12632%0.319CS..Hα-helixtrans-66.6-38.4177.7-76-173.5-156.300112.6I300 Y433 Q459 T460 G466 Q467I300-E463 WeakPolarHBondContact CG1-OE1 3.13Å; I300-E463 PolarHBondContact N-OE1 3.06Å; I300-E463 PolarHBondContact N-OE2 3.23Å; Y433-E463 HydrophobicContact CE1-CB 3.72Å; Y433-E463 PolarHBondContact OH-OE2 2.95Å; Q459-E463 PolarHBondContact NE2-OE1 3.46Å; Q459-E463 PolarHBondContact O-N 3.35Å; T460-E463 PolarHBondContact O-N 3.28Å; E463-G466 PolarHBondContact O-N 2.96Å; E463-Q467 VanDerWaalsContact O-CG 3.27Å; E463-Q467 WeakPolarHBondContact O-CG 3.39Å; E463-Q467 PolarHBondContact O-N 3.43Å; E463-Q467 PolarHBondContact O-NE2 3.3Å
464L91.9Very high90.5Very high1 Ų165.4 Ų65.41%0.00534%0.338CS..Hα-helixtrans-65.8-48.5174.2-178.662.1000111E430 Y433 I437 T460 G466 Q467 V468 Y473 L476E430-L464 HydrophobicContact CG-CD1 4.37Å; Y433-L464 HydrophobicContact CD1-CB 4.37Å; Y433-L464 HydrophobicContact CD2-CB 4.41Å; Y433-L464 HydrophobicContact CD2-CD1 3.97Å; Y433-L464 HydrophobicContact CG-CB 4.09Å; Y433-L464 HydrophobicContact CG-CD1 4.18Å; I437-L464 HydrophobicContact CD1-CD2 4.01Å; T460-L464 PolarHBondContact O-N 2.91Å; T460-L464 VanDerWaalsContact O-N 3.08Å; L464-G466 PolarHBondContact O-N 3.43Å; L464-Q467 PolarHBondContact O-N 3.5Å; L464-V468 HydrophobicContact CD1-CG1 4.42Å; L464-V468 WeakPolarHBondContact O-CG2 3.48Å; L464-V468 PolarHBondContact O-N 2.9Å; L464-Y473 HydrophobicContact CB-CD2 4.46Å; L464-Y473 HydrophobicContact CB-CE2 4.21Å; L464-Y473 HydrophobicContact CD2-CD2 4.13Å; L464-Y473 HydrophobicContact CD2-CE2 4.07Å; L464-Y473 HydrophobicContact CG-CD2 3.96Å; L464-Y473 HydrophobicContact CG-CE2 4.09Å; L464-L476 HydrophobicContact CD1-CD1 4.24Å
465C92.4Very high90.9Very high53 Ų5367.4 Ų67.436%0.35835%0.351SS..Hα-helixtrans-57.6-35.2176.5-176.20000112.2C461 R462 Q467 V468 Y473C461-C465 WeakPolarHBondContact O-CB 3.43Å; C461-C465 PolarHBondContact O-N 3.46Å; R462-C465 PolarHBondContact O-N 2.95Å; C465-Q467 VanDerWaalsContact C-N 3.27Å; C465-Q467 PolarHBondContact O-N 2.88Å; C465-V468 VanDerWaalsContact O-O 3.09Å; C465-Y473 HydrophobicContact CB-CD2 3.92Å; C465-Y473 HydrophobicContact CB-CE2 3.71Å; C465-Y473 HydrophobicContact CB-CG 4.44Å
466G90Very high91.4Very high69 Ų6963.6 Ų63.671%0.71133%0.331SS*.THydrogen-bonded Turntrans-75.3-8.7174.700000115.3R462 E463 L464R462-G466 PolarHBondContact O-N 3.08Å; E463-G466 PolarHBondContact O-N 2.96Å; L464-G466 PolarHBondContact O-N 3.43Å
467Q87Confident91.7Very high71 Ų7164.6 Ų64.633%0.33234%0.337SS..THydrogen-bonded Turntrans-105.6-20.6-177.2-76.6177.747.600114.2Y433 E463 L464 C465Y433-Q467 PolarHBondContact OH-NE2 3.5Å; E463-Q467 VanDerWaalsContact O-CG 3.27Å; E463-Q467 WeakPolarHBondContact O-CG 3.39Å; E463-Q467 PolarHBondContact O-N 3.43Å; E463-Q467 PolarHBondContact O-NE2 3.3Å; L464-Q467 PolarHBondContact O-N 3.5Å; C465-Q467 VanDerWaalsContact C-N 3.27Å; C465-Q467 PolarHBondContact O-N 2.88Å
468V91.2Very high92Very high29 Ų2967.7 Ų67.718%0.17636%0.355CS..SBendtrans-130.5159.6-175.3-55.40000110.3E430 L464 C465 R472 Y473E430-V468 HydrophobicContact CG-CG1 4.5Å; L464-V468 HydrophobicContact CD1-CG1 4.42Å; L464-V468 WeakPolarHBondContact O-CG2 3.48Å; L464-V468 PolarHBondContact O-N 2.9Å; C465-V468 VanDerWaalsContact O-O 3.09Å; V468-R472 HydrophobicContact CB-CB 3.99Å; V468-R472 HydrophobicContact CB-CG 3.71Å; V468-R472 HydrophobicContact CG1-CG 4.01Å; V468-R472 HydrophobicContact CG2-CB 4.22Å; V468-R472 HydrophobicContact CG2-CG 4.1Å; V468-Y473 HydrophobicContact CG2-CD2 4.34Å
469D91.9Very high92.2Very high101 Ų10161.2 Ų61.254%0.5433%0.33SS..  trans-68163.9171.761.471000112.2D471 R472 Y473D469-D471 VanDerWaalsContact C-N 3.29Å; D469-D471 PolarHBondContact O-N 2.88Å; D469-D471 PolarHBondContact OD1-N 2.75Å; D469-R472 PolarHBondContact O-N 3.49Å; D469-R472 VanDerWaalsContact OD1-CB 3.24Å; D469-R472 WeakPolarHBondContact OD1-CB 3.22Å; D469-R472 PolarHBondContact OD1-N 2.68Å; D469-Y473 WeakPolarHBondContact O-CB 3.48Å; D469-Y473 PolarHBondContact O-N 2.95Å
470D90.6Very high92.4Very high120 Ų12058.4 Ų58.464%0.64232%0.318SS*.Hα-helixtrans-61.2-34.8-174.9-71-30.4000113.1T474D470-T474 WeakPolarHBondContact O-CB 3.49Å; D470-T474 PolarHBondContact O-N 2.94Å; D470-T474 PolarHBondContact O-OG1 3.35Å
471D92.3Very high92.5Very high129 Ų12962.2 Ų62.269%0.6934%0.343SS*.Hα-helixtrans-71.1-43.2179.7-71.4-30.4000110.8D469 T474 S475D469-D471 VanDerWaalsContact C-N 3.29Å; D469-D471 PolarHBondContact O-N 2.88Å; D469-D471 PolarHBondContact OD1-N 2.75Å; D471-T474 PolarHBondContact O-N 3.23Å; D471-S475 VanDerWaalsContact O-CB 3.3Å; D471-S475 WeakPolarHBondContact O-CB 3.16Å; D471-S475 PolarHBondContact O-N 3.14Å; D471-S475 PolarHBondContact O-OG 2.9Å
472R94.4Very high92.5Very high60 Ų6061.9 Ų61.923%0.22634%0.34CS..Hα-helixtrans-64.2-45.6174.5-178.261.6174.2-170.22.5110.9A424 K425 E430 V468 D469 T474 S475 L476A424-R472 VanDerWaalsContact O-CZ 3.24Å; A424-R472 PolarHBondContact O-NH1 3.46Å; A424-R472 PolarHBondContact O-NH2 3.4Å; K425-R472 PolarHBondContact O-NH2 3.11Å; E430-R472 IonicContact OE1-CZ 2.87Å; E430-R472 IonicContact OE1-NE 2.82Å; E430-R472 PolarHBondContact OE1-NE 3.01Å; E430-R472 IonicContact OE1-NH2 2.76Å; E430-R472 PolarHBondContact OE1-NH2 3.43Å; E430-R472 IonicContact OE2-CZ 2.87Å; E430-R472 IonicContact OE2-NE 3.29Å; E430-R472 IonicContact OE2-NH2 3.21Å; E430-R472 PolarHBondContact OE2-NH2 3.28Å; V468-R472 HydrophobicContact CB-CB 3.99Å; V468-R472 HydrophobicContact CB-CG 3.71Å; V468-R472 HydrophobicContact CG1-CG 4.01Å; V468-R472 HydrophobicContact CG2-CB 4.22Å; V468-R472 HydrophobicContact CG2-CG 4.1Å; D469-R472 PolarHBondContact O-N 3.49Å; D469-R472 VanDerWaalsContact OD1-CB 3.24Å; D469-R472 WeakPolarHBondContact OD1-CB 3.22Å; D469-R472 PolarHBondContact OD1-N 2.68Å; R472-T474 VanDerWaalsContact C-N 3.34Å; R472-T474 PolarHBondContact O-N 3.33Å; R472-S475 PolarHBondContact O-N 3.19Å; R472-L476 HydrophobicContact CG-CD1 4.12Å; R472-L476 WeakPolarHBondContact O-CB 3.24Å; R472-L476 VanDerWaalsContact O-CG 3.25Å; R472-L476 WeakPolarHBondContact O-CG 3.17Å; R472-L476 PolarHBondContact O-N 3.01Å
473Y94.5Very high92.6Very high41 Ų4153.9 Ų53.916%0.16131%0.31CS..Hα-helixtrans-54.8-51.3176.2-179-109000111.1L464 C465 V468 D469 S475 L476 L477L464-Y473 HydrophobicContact CB-CD2 4.46Å; L464-Y473 HydrophobicContact CB-CE2 4.21Å; L464-Y473 HydrophobicContact CD2-CD2 4.13Å; L464-Y473 HydrophobicContact CD2-CE2 4.07Å; L464-Y473 HydrophobicContact CG-CD2 3.96Å; L464-Y473 HydrophobicContact CG-CE2 4.09Å; C465-Y473 HydrophobicContact CB-CD2 3.92Å; C465-Y473 HydrophobicContact CB-CE2 3.71Å; C465-Y473 HydrophobicContact CB-CG 4.44Å; V468-Y473 HydrophobicContact CG2-CD2 4.34Å; D469-Y473 WeakPolarHBondContact O-CB 3.48Å; D469-Y473 PolarHBondContact O-N 2.95Å; Y473-S475 PolarHBondContact O-N 2.57Å; Y473-L476 PolarHBondContact O-N 2.81Å; Y473-L477 HydrophobicContact CD1-CD1 4.04Å; Y473-L477 HydrophobicContact CE1-CD1 3.41Å; Y473-L477 VanDerWaalsContact CE1-CD1 3.41Å; Y473-L477 HydrophobicContact CE1-CG 4.29Å; Y473-L477 HydrophobicContact CE2-CD1 4.2Å; Y473-L477 HydrophobicContact CE2-CG 4.39Å; Y473-L477 WeakPolarHBondContact O-CG 3.45Å; Y473-L477 PolarHBondContact O-N 2.84Å
474T93.9Very high92.5Very high73 Ų7357.7 Ų57.745%0.44832%0.324SS..Hα-helixtrans-63.1-45.3-179.9-57.10000111.3D470 D471 R472 L476 L477 L478D470-T474 WeakPolarHBondContact O-CB 3.49Å; D470-T474 PolarHBondContact O-N 2.94Å; D470-T474 PolarHBondContact O-OG1 3.35Å; D471-T474 PolarHBondContact O-N 3.23Å; R472-T474 VanDerWaalsContact C-N 3.34Å; R472-T474 PolarHBondContact O-N 3.33Å; T474-L476 VanDerWaalsContact C-N 3.33Å; T474-L476 PolarHBondContact O-N 3.12Å; T474-L477 PolarHBondContact O-N 3.47Å; T474-L478 HydrophobicContact CG2-CD1 4.21Å; T474-L478 WeakPolarHBondContact O-CG 3.32Å; T474-L478 PolarHBondContact O-N 2.9Å
475S94.1Very high92.5Very high63 Ų6361.1 Ų61.144%0.44135%0.347SS..Hα-helixtrans-59-42.7178.6-61.40000112.2D471 R472 Y473 L478D471-S475 VanDerWaalsContact O-CB 3.3Å; D471-S475 WeakPolarHBondContact O-CB 3.16Å; D471-S475 PolarHBondContact O-N 3.14Å; D471-S475 PolarHBondContact O-OG 2.9Å; R472-S475 PolarHBondContact O-N 3.19Å; Y473-S475 PolarHBondContact O-N 2.57Å; S475-L478 PolarHBondContact O-N 2.68Å
476L95.4Very high92.4Very high1 Ų159.3 Ų59.31%0.00533%0.333CS..Hα-helixtrans-65.7-44.6176.8-69.5171.3000111.7P426 E430 L434 L464 R472 Y473 T474 L478 L479P426-L476 HydrophobicContact CB-CD2 4.01Å; P426-L476 HydrophobicContact CG-CD2 4.12Å; E430-L476 HydrophobicContact CB-CD1 4.11Å; E430-L476 HydrophobicContact CB-CD2 4.33Å; E430-L476 HydrophobicContact CG-CD1 3.78Å; L434-L476 HydrophobicContact CD1-CD2 4.3Å; L434-L476 HydrophobicContact CD2-CB 4.25Å; L434-L476 WeakPolarHBondContact CD2-O 3.35Å; L464-L476 HydrophobicContact CD1-CD1 4.24Å; R472-L476 HydrophobicContact CG-CD1 4.12Å; R472-L476 WeakPolarHBondContact O-CB 3.24Å; R472-L476 VanDerWaalsContact O-CG 3.25Å; R472-L476 WeakPolarHBondContact O-CG 3.17Å; R472-L476 PolarHBondContact O-N 3.01Å; Y473-L476 PolarHBondContact O-N 2.81Å; T474-L476 VanDerWaalsContact C-N 3.33Å; T474-L476 PolarHBondContact O-N 3.12Å; L476-L478 VanDerWaalsContact C-N 3.28Å; L476-L478 PolarHBondContact O-N 3.36Å; L476-L479 HydrophobicContact CD2-CD1 4.33Å; L476-L479 VanDerWaalsContact O-CB 3.28Å; L476-L479 WeakPolarHBondContact O-CB 3.45Å; L476-L479 WeakPolarHBondContact O-CG 3.21Å; L476-L479 PolarHBondContact O-N 3.16Å; L476-L479 VanDerWaalsContact O-N 3.17Å
477L94.4Very high92.4Very high49 Ų4958.9 Ų58.926%0.25732%0.315SS..Hα-helixtrans-63.4-33.1179-70.8-173.4000112.9I437 Y473 T474 L479 L480 P481I437-L477 HydrophobicContact CD1-CD2 3.92Å; Y473-L477 HydrophobicContact CD1-CD1 4.04Å; Y473-L477 HydrophobicContact CE1-CD1 3.41Å; Y473-L477 VanDerWaalsContact CE1-CD1 3.41Å; Y473-L477 HydrophobicContact CE1-CG 4.29Å; Y473-L477 HydrophobicContact CE2-CD1 4.2Å; Y473-L477 HydrophobicContact CE2-CG 4.39Å; Y473-L477 WeakPolarHBondContact O-CG 3.45Å; Y473-L477 PolarHBondContact O-N 2.84Å; T474-L477 PolarHBondContact O-N 3.47Å; L477-L479 PolarHBondContact O-N 3.08Å; L477-L480 HydrophobicContact CD2-CD1 4.08Å; L477-L480 WeakPolarHBondContact O-CB 3.36Å; L477-L480 PolarHBondContact O-N 3.4Å; L477-L480 VanDerWaalsContact O-N 3.13Å; L477-P481 VanDerWaalsContact O-CD 3.25Å; L477-P481 WeakPolarHBondContact O-CD 3.41Å
478L94.3Very high92.6Very high111 Ų11159 Ų5958%0.58131%0.314SS*.THydrogen-bonded Turntrans-67.4-9.8177.6-71.9174.1000114T474 S475 L476T474-L478 HydrophobicContact CG2-CD1 4.21Å; T474-L478 WeakPolarHBondContact O-CG 3.32Å; T474-L478 PolarHBondContact O-N 2.9Å; S475-L478 PolarHBondContact O-N 2.68Å; L476-L478 VanDerWaalsContact C-N 3.28Å; L476-L478 PolarHBondContact O-N 3.36Å
479L94.3Very high92.3Very high7 Ų761.5 Ų61.54%0.03732%0.324CS..THydrogen-bonded Turntrans-73.4-35.6171.1-61.1170.3000111.7F417 R420 I421 A424 P426 L434 L476 L477 T482F417-L479 HydrophobicContact CE2-CB 4.2Å; F417-L479 HydrophobicContact CE2-CD2 4.3Å; R420-L479 HydrophobicContact CB-CD2 4.19Å; I421-L479 HydrophobicContact CD1-CD1 3.71Å; I421-L479 HydrophobicContact CD1-CD2 4.04Å; I421-L479 HydrophobicContact CD1-CG 4.35Å; A424-L479 HydrophobicContact CB-CD1 4.42Å; P426-L479 HydrophobicContact CG-CD1 4.32Å; L434-L479 HydrophobicContact CD1-CD1 4.03Å; L476-L479 HydrophobicContact CD2-CD1 4.33Å; L476-L479 VanDerWaalsContact O-CB 3.28Å; L476-L479 WeakPolarHBondContact O-CB 3.45Å; L476-L479 WeakPolarHBondContact O-CG 3.21Å; L476-L479 PolarHBondContact O-N 3.16Å; L476-L479 VanDerWaalsContact O-N 3.17Å; L477-L479 PolarHBondContact O-N 3.08Å; L479-T482 WeakPolarHBondContact O-CB 3.26Å; L479-T482 PolarHBondContact O-N 3.13Å; L479-T482 PolarHBondContact O-OG1 3.18Å
480L94.2Very high92Very high23 Ų2357 Ų5712%0.1230%0.3CS..Hα-helixtrans-64.3-40.9-171.9-61.7174.3000115L368 L434 I437 A438 L477 T482 L483L368-L480 HydrophobicContact CD1-CD2 4.42Å; L434-L480 HydrophobicContact CB-CD2 4.29Å; L434-L480 HydrophobicContact CD2-CD1 4.18Å; L434-L480 HydrophobicContact CD2-CD2 3.96Å; L434-L480 HydrophobicContact CD2-CG 3.97Å; I437-L480 HydrophobicContact CB-CD1 4.07Å; I437-L480 HydrophobicContact CG2-CD1 3.48Å; I437-L480 VanDerWaalsContact CG2-CD1 3.48Å; A438-L480 HydrophobicContact CB-CD2 4.19Å; L477-L480 HydrophobicContact CD2-CD1 4.08Å; L477-L480 WeakPolarHBondContact O-CB 3.36Å; L477-L480 PolarHBondContact O-N 3.4Å; L477-L480 VanDerWaalsContact O-N 3.13Å; L480-T482 PolarHBondContact O-N 3.09Å; L480-T482 VanDerWaalsContact O-N 3.11Å; L480-L483 HydrophobicContact CD2-CD1 3.91Å; L480-L483 WeakPolarHBondContact O-CB 3.49Å; L480-L483 PolarHBondContact O-N 3.12Å; L480-L483 VanDerWaalsContact O-N 3.07Å
481P92.6Very high92Very high81 Ų8151.3 Ų51.353%0.52627%0.27SS..Hα-helixtrans-56.2-30.2178.7-28.335.5000113.9L477 L483 R484L477-P481 VanDerWaalsContact O-CD 3.25Å; L477-P481 WeakPolarHBondContact O-CD 3.41Å; P481-L483 VanDerWaalsContact C-N 3.28Å; P481-L483 PolarHBondContact O-N 3.41Å; P481-R484 WeakPolarHBondContact O-CB 3.4Å; P481-R484 PolarHBondContact O-N 3.02Å
482T91.6Very high91.8Very high18 Ų1845.8 Ų45.811%0.1124%0.24CC..Hα-helixtrans-64.5-36-179.6-51.20000111.4F417 R420 L479 L480 R484 S485 F486F417-T482 HydrophobicContact CB-CG2 4.28Å; F417-T482 HydrophobicContact CD2-CG2 4.07Å; F417-T482 HydrophobicContact CG-CG2 4.22Å; R420-T482 VanDerWaalsContact CZ-OG1 3.26Å; R420-T482 PolarHBondContact NH1-OG1 3.29Å; R420-T482 PolarHBondContact NH2-OG1 2.85Å; L479-T482 WeakPolarHBondContact O-CB 3.26Å; L479-T482 PolarHBondContact O-N 3.13Å; L479-T482 PolarHBondContact O-OG1 3.18Å; L480-T482 PolarHBondContact O-N 3.09Å; L480-T482 VanDerWaalsContact O-N 3.11Å; T482-R484 PolarHBondContact O-N 3Å; T482-S485 WeakPolarHBondContact O-CB 3.37Å; T482-S485 PolarHBondContact O-N 3.36Å; T482-S485 PolarHBondContact O-OG 3.36Å; T482-F486 HydrophobicContact CG2-CE2 4.08Å
483L92.7Very high91.2Very high5 Ų544.8 Ų44.83%0.02624%0.239CC..Hα-helixtrans-59.1-23.8-179.6-59.9173.4000112.3E364 L367 L368 F417 A438 L480 P481 S485E364-L483 HydrophobicContact CB-CB 4.28Å; E364-L483 HydrophobicContact CB-CD1 4.27Å; E364-L483 HydrophobicContact CG-CB 4.02Å; L367-L483 HydrophobicContact CB-CD2 3.91Å; L367-L483 HydrophobicContact CD1-CD2 4.37Å; L368-L483 HydrophobicContact CD1-CD1 3.79Å; L368-L483 HydrophobicContact CD2-CD1 4.02Å; L368-L483 HydrophobicContact CG-CD1 3.73Å; L368-L483 HydrophobicContact CG-CD2 4.32Å; F417-L483 HydrophobicContact CD1-CD2 4.47Å; F417-L483 HydrophobicContact CE1-CD2 3.53Å; F417-L483 HydrophobicContact CZ-CD2 3.67Å; F417-L483 HydrophobicContact CZ-CG 4.33Å; A438-L483 HydrophobicContact CB-CD1 4.49Å; L480-L483 HydrophobicContact CD2-CD1 3.91Å; L480-L483 WeakPolarHBondContact O-CB 3.49Å; L480-L483 PolarHBondContact O-N 3.12Å; L480-L483 VanDerWaalsContact O-N 3.07Å; P481-L483 VanDerWaalsContact C-N 3.28Å; P481-L483 PolarHBondContact O-N 3.41Å; L483-S485 VanDerWaalsContact C-N 3.35Å
484R89.4Confident90.8Very high107 Ų10743 Ų4340%0.40423%0.231SC..THydrogen-bonded Turntrans-79.3-15.8-179.8-53.1-55.4-177.776.2-11114.3E364 D443 P481 T482E364-R484 VanDerWaalsContact CD-NE 3.29Å; E364-R484 IonicContact OE1-CZ 2.78Å; E364-R484 IonicContact OE1-NE 3.41Å; E364-R484 PolarHBondContact OE1-NE 3.03Å; E364-R484 IonicContact OE2-CZ 3.49Å; E364-R484 IonicContact OE2-NE 3.23Å; E364-R484 PolarHBondContact OE2-NE 2.94Å; E364-R484 IonicContact OE2-NH2 3.11Å; D443-R484 IonicContact OD1-CZ 3.01Å; D443-R484 IonicContact OD1-NH1 3.98Å; D443-R484 PolarHBondContact OD1-NH1 2.65Å; D443-R484 IonicContact OD1-NH2 3.57Å; D443-R484 PolarHBondContact OD1-NH2 3.19Å; D443-R484 IonicContact OD2-CZ 3.34Å; D443-R484 VanDerWaalsContact OD2-CZ 3.23Å; D443-R484 IonicContact OD2-NH1 3.71Å; D443-R484 PolarHBondContact OD2-NH1 3.45Å; D443-R484 IonicContact OD2-NH2 3.68Å; D443-R484 PolarHBondContact OD2-NH2 3.19Å; P481-R484 WeakPolarHBondContact O-CB 3.4Å; P481-R484 PolarHBondContact O-N 3.02Å; T482-R484 PolarHBondContact O-N 3Å
485S90.5Very high90.5Very high72 Ų7239.6 Ų39.650%0.50321%0.211SC..THydrogen-bonded Turntrans-79.2-20.8179.568.20000113.2T482 L483T482-S485 WeakPolarHBondContact O-CB 3.37Å; T482-S485 PolarHBondContact O-N 3.36Å; T482-S485 PolarHBondContact O-OG 3.36Å; L483-S485 VanDerWaalsContact C-N 3.35Å
486F91.8Very high90Very high15 Ų1536.7 Ų36.77%0.06619%0.19CC..  trans-77.6127.3-173.9-68.1-76.3000113.1L367 C413 L414 T482 K488 V491L367-F486 HydrophobicContact CD1-CB 3.92Å; L367-F486 HydrophobicContact CD1-CD1 4.44Å; L367-F486 HydrophobicContact CD1-CD2 3.42Å; L367-F486 VanDerWaalsContact CD1-CD2 3.42Å; L367-F486 HydrophobicContact CD1-CE2 4Å; L367-F486 HydrophobicContact CD1-CG 3.66Å; C413-F486 HydrophobicContact CB-CE1 3.8Å; C413-F486 HydrophobicContact CB-CZ 4.05Å; C413-F486 WeakPolarHBondContact SG-CZ 3.36Å; L414-F486 HydrophobicContact CB-CE1 4.44Å; L414-F486 HydrophobicContact CD2-CD1 4.28Å; L414-F486 HydrophobicContact CD2-CE1 3.59Å; L414-F486 HydrophobicContact CD2-CZ 3.75Å; L414-F486 HydrophobicContact CG-CD1 4.4Å; L414-F486 HydrophobicContact CG-CE1 3.6Å; L414-F486 HydrophobicContact CG-CZ 4.12Å; T482-F486 HydrophobicContact CG2-CE2 4.08Å; F486-K488 PolarHBondContact O-N 3.1Å; F486-V491 HydrophobicContact CB-CG2 4.21Å
487N89.7Confident88.8Confident61 Ų6137.2 Ų37.233%0.32619%0.194SC..  trans-74.6116.5167.9-174.2-18.5000110.3H410 Q489 I490 V491H410-N487 WeakPolarHBondContact NE2-CB 3.49Å; H410-N487 PolarHBondContact NE2-N 3.05Å; N487-Q489 PolarHBondContact O-N 2.99Å; N487-Q489 VanDerWaalsContact O-N 3.16Å; N487-Q489 WeakPolarHBondContact OD1-CB 3.27Å; N487-Q489 PolarHBondContact OD1-N 2.79Å; N487-I490 HydrophobicContact CB-CB 4.37Å; N487-I490 HydrophobicContact CB-CD1 4.01Å; N487-I490 HydrophobicContact CB-CG1 4.2Å; N487-I490 PolarHBondContact O-N 2.87Å; N487-V491 PolarHBondContact O-N 2.94Å; N487-V491 VanDerWaalsContact O-N 3.15Å
488K90.1Very high86.9Confident72 Ų7236.1 Ų36.131%0.31319%0.194SC..Hα-helixtrans-51.4-39.9179.1-59.9-176.5177.8-177.20112.9Q360 W362 C363 F486 I490 V491 V492Q360-K488 WeakPolarHBondContact O-CE 3.19Å; Q360-K488 PolarHBondContact O-NZ 3.35Å; W362-K488 HydrophobicContact CZ2-CB 4.2Å; C363-K488 HydrophobicContact CB-CD 4.45Å; C363-K488 HydrophobicContact CB-CG 3.88Å; F486-K488 PolarHBondContact O-N 3.1Å; K488-I490 VanDerWaalsContact C-N 3.33Å; K488-I490 PolarHBondContact O-N 3.45Å; K488-V491 PolarHBondContact O-N 3.48Å; K488-V492 WeakPolarHBondContact O-CG2 3.32Å; K488-V492 PolarHBondContact O-N 3.34Å
489Q85.3Confident84.9Confident83 Ų8335.2 Ų35.239%0.38819%0.19SC..Hα-helixtrans-65.7-38.6-177.1-177.157.636.800111.4N487 V492 E493N487-Q489 PolarHBondContact O-N 2.99Å; N487-Q489 VanDerWaalsContact O-N 3.16Å; N487-Q489 WeakPolarHBondContact OD1-CB 3.27Å; N487-Q489 PolarHBondContact OD1-N 2.79Å; Q489-V492 WeakPolarHBondContact O-CB 3.23Å; Q489-V492 PolarHBondContact O-N 2.85Å; Q489-E493 WeakPolarHBondContact CG-OE1 3.38Å; Q489-E493 PolarHBondContact NE2-OE1 2.88Å; Q489-E493 WeakPolarHBondContact O-CG 3.44Å; Q489-E493 PolarHBondContact O-N 3.26Å
490I87Confident82.9Confident5 Ų536.1 Ų36.13%0.02619%0.194CC..Hα-helixtrans-71.7-39.2178.9-64.2174.4000110.5E406 V407 H410 N487 K488 V492 E493 L494E406-I490 HydrophobicContact CB-CD1 4.4Å; E406-I490 HydrophobicContact CG-CD1 3.54Å; V407-I490 HydrophobicContact CG2-CG2 4.48Å; H410-I490 HydrophobicContact CB-CG2 3.7Å; H410-I490 VanDerWaalsContact CE1-CD1 3.46Å; H410-I490 WeakPolarHBondContact CE1-CD1 3.43Å; H410-I490 WeakPolarHBondContact ND1-CD1 3.4Å; N487-I490 HydrophobicContact CB-CB 4.37Å; N487-I490 HydrophobicContact CB-CD1 4.01Å; N487-I490 HydrophobicContact CB-CG1 4.2Å; N487-I490 PolarHBondContact O-N 2.87Å; K488-I490 VanDerWaalsContact C-N 3.33Å; K488-I490 PolarHBondContact O-N 3.45Å; I490-V492 VanDerWaalsContact C-N 3.29Å; I490-V492 PolarHBondContact O-N 2.77Å; I490-E493 PolarHBondContact O-N 2.94Å; I490-E493 VanDerWaalsContact O-N 3.12Å; I490-L494 HydrophobicContact CG2-CD1 4.01Å; I490-L494 HydrophobicContact CG2-CG 4.23Å; I490-L494 WeakPolarHBondContact O-CB 3.37Å; I490-L494 VanDerWaalsContact O-CG 3.31Å; I490-L494 WeakPolarHBondContact O-CG 3.27Å; I490-L494 PolarHBondContact O-N 3.46Å
491V90Very high80.9Confident1 Ų137.1 Ų37.11%0.00621%0.21CC..Hα-helixtrans-60.1-41.2173.1177.90000111F366 L367 F486 N487 K488 L494 F495F366-V491 HydrophobicContact CD1-CG1 3.98Å; F366-V491 HydrophobicContact CE1-CG1 3.86Å; L367-V491 HydrophobicContact CD2-CG1 4.37Å; F486-V491 HydrophobicContact CB-CG2 4.21Å; N487-V491 PolarHBondContact O-N 2.94Å; N487-V491 VanDerWaalsContact O-N 3.15Å; K488-V491 PolarHBondContact O-N 3.48Å; V491-L494 PolarHBondContact O-N 3.12Å; V491-F495 HydrophobicContact CG1-CD2 4.01Å; V491-F495 WeakPolarHBondContact O-CD2 3.39Å; V491-F495 PolarHBondContact O-N 3.5Å; V491-F495 VanDerWaalsContact O-N 3.08Å
492V87.7Confident79.3Confident13 Ų1339 Ų398%0.07922%0.216CC..Hα-helixtrans-60.9-44.4172.81740000111.4W362 K488 Q489 I490 L494 F496 S497 I505W362-V492 HydrophobicContact CH2-CG2 3.56Å; W362-V492 HydrophobicContact CZ2-CG2 3.73Å; K488-V492 WeakPolarHBondContact O-CG2 3.32Å; K488-V492 PolarHBondContact O-N 3.34Å; Q489-V492 WeakPolarHBondContact O-CB 3.23Å; Q489-V492 PolarHBondContact O-N 2.85Å; I490-V492 VanDerWaalsContact C-N 3.29Å; I490-V492 PolarHBondContact O-N 2.77Å; V492-L494 PolarHBondContact O-N 3.21Å; V492-F496 HydrophobicContact CG1-CB 4.2Å; V492-F496 CarbonylContact O-C 3.56Å; V492-F496 WeakPolarHBondContact O-CA 3.1Å; V492-F496 WeakPolarHBondContact O-CB 3.27Å; V492-F496 PolarHBondContact O-N 2.99Å; V492-S497 PolarHBondContact O-N 3.1Å; V492-I505 HydrophobicContact CG2-CD1 4.48Å; V492-I505 HydrophobicContact CG2-CG1 3.6Å
493E82Confident77.9Confident40 Ų4042 Ų4219%0.18723%0.231CC..Hα-helixtrans-66.1-38.2-180-74.6171-161.800112.9Q489 I490 S497Q489-E493 WeakPolarHBondContact CG-OE1 3.38Å; Q489-E493 PolarHBondContact NE2-OE1 2.88Å; Q489-E493 WeakPolarHBondContact O-CG 3.44Å; Q489-E493 PolarHBondContact O-N 3.26Å; I490-E493 PolarHBondContact O-N 2.94Å; I490-E493 VanDerWaalsContact O-N 3.12Å; E493-S497 WeakPolarHBondContact O-CB 3.48Å; E493-S497 PolarHBondContact O-OG 3.37Å
494L86.1Confident77.3Confident2 Ų245.8 Ų45.81%0.0125%0.248CC..Hα-helixtrans-69-43.7178.6-72.4173.7000112.6M386 V407 I411 L414 I490 V491 V492M386-L494 HydrophobicContact SD-CD2 4.45Å; V407-L494 HydrophobicContact CG1-CD2 3.95Å; I411-L494 HydrophobicContact CD1-CD2 4.04Å; I411-L494 HydrophobicContact CG1-CD1 4.19Å; I411-L494 HydrophobicContact CG1-CD2 3.93Å; L414-L494 HydrophobicContact CD1-CD1 3.93Å; I490-L494 HydrophobicContact CG2-CD1 4.01Å; I490-L494 HydrophobicContact CG2-CG 4.23Å; I490-L494 WeakPolarHBondContact O-CB 3.37Å; I490-L494 VanDerWaalsContact O-CG 3.31Å; I490-L494 WeakPolarHBondContact O-CG 3.27Å; I490-L494 PolarHBondContact O-N 3.46Å; V491-L494 PolarHBondContact O-N 3.12Å; V492-L494 PolarHBondContact O-N 3.21Å
495F87.7Confident77.1Confident3 Ų340.7 Ų40.71%0.01323%0.229CC..Hα-helixtrans-107.6-22.4-168.8-68.2-73.3000114.7I325 C326 A329 F366 L370 L379 L383 M386 L414 V491I325-F495 HydrophobicContact CG2-CD1 4.01Å; C326-F495 VanDerWaalsContact CA-O 3.24Å; C326-F495 WeakPolarHBondContact CA-O 3.27Å; C326-F495 PolarHBondContact SG-O 3.26Å; A329-F495 HydrophobicContact CB-CB 3.78Å; A329-F495 WeakPolarHBondContact CB-O 3.37Å; F366-F495 HydrophobicContact CE1-CD2 4.04Å; F366-F495 HydrophobicContact CE1-CG 4.3Å; F366-F495 HydrophobicContact CZ-CB 4.19Å; F366-F495 HydrophobicContact CZ-CD2 4.4Å; F366-F495 HydrophobicContact CZ-CG 4.19Å; L370-F495 HydrophobicContact CD1-CE1 4.13Å; L370-F495 HydrophobicContact CD1-CZ 4.43Å; L370-F495 HydrophobicContact CD2-CE1 4.01Å; L370-F495 HydrophobicContact CD2-CE2 3.83Å; L370-F495 HydrophobicContact CD2-CZ 3.47Å; L370-F495 VanDerWaalsContact CD2-CZ 3.47Å; L379-F495 HydrophobicContact CD1-CE1 4.1Å; L379-F495 HydrophobicContact CD1-CZ 4.19Å; L383-F495 HydrophobicContact CD2-CZ 4.3Å; M386-F495 HydrophobicContact CE-CE1 4.48Å; L414-F495 HydrophobicContact CD1-CE2 3.89Å; L414-F495 HydrophobicContact CD1-CZ 4.14Å; V491-F495 HydrophobicContact CG1-CD2 4.01Å; V491-F495 WeakPolarHBondContact O-CD2 3.39Å; V491-F495 PolarHBondContact O-N 3.5Å; V491-F495 VanDerWaalsContact O-N 3.08Å
496F83.8Confident76.9Confident1 Ų139.3 Ų39.30%0.00422%0.215CC..Hα-helixtrans-123.4-5.9-169.2-60.9-91.9000115A329 L333 W362 F366 V492 G498 L499 I500 I505A329-F496 HydrophobicContact CB-CD1 4.3Å; A329-F496 HydrophobicContact CB-CE1 3.94Å; A329-F496 HydrophobicContact CB-CE2 4.31Å; A329-F496 HydrophobicContact CB-CZ 3.95Å; A329-F496 WeakPolarHBondContact O-CE1 3.47Å; L333-F496 HydrophobicContact CB-CE1 4.07Å; L333-F496 HydrophobicContact CB-CZ 4.03Å; L333-F496 HydrophobicContact CD2-CE1 3.87Å; L333-F496 HydrophobicContact CD2-CZ 4.07Å; W362-F496 HydrophobicContact CZ3-CE2 4.37Å; F366-F496 HydrophobicContact CD2-CZ 4.06Å; F366-F496 AromaticContact CE1-CE2 3.99Å; F366-F496 HydrophobicContact CE1-CE2 3.99Å; F366-F496 HydrophobicContact CE1-CZ 4.38Å; F366-F496 AromaticContact CE2-CE2 3.98Å; F366-F496 HydrophobicContact CE2-CE2 3.98Å; F366-F496 AromaticContact CE2-CZ 3.54Å; F366-F496 HydrophobicContact CE2-CZ 3.54Å; F366-F496 AromaticContact CZ-CE2 3.67Å; F366-F496 HydrophobicContact CZ-CE2 3.67Å; F366-F496 AromaticContact CZ-CZ 3.72Å; F366-F496 HydrophobicContact CZ-CZ 3.72Å; V492-F496 HydrophobicContact CG1-CB 4.2Å; V492-F496 CarbonylContact O-C 3.56Å; V492-F496 WeakPolarHBondContact O-CA 3.1Å; V492-F496 WeakPolarHBondContact O-CB 3.27Å; V492-F496 PolarHBondContact O-N 2.99Å; F496-G498 PolarHBondContact O-N 2.78Å; F496-L499 PolarHBondContact O-N 3.44Å; F496-I500 HydrophobicContact CB-CB 4.28Å; F496-I500 HydrophobicContact CB-CD1 3.94Å; F496-I500 HydrophobicContact CB-CG1 4.22Å; F496-I500 HydrophobicContact CD1-CD1 3.54Å; F496-I500 HydrophobicContact CD1-CG1 4.45Å; F496-I500 HydrophobicContact CE1-CD1 4.4Å; F496-I500 HydrophobicContact CG-CD1 4.07Å; F496-I500 PolarHBondContact O-N 3.21Å; F496-I505 HydrophobicContact CD1-CD1 4.22Å; F496-I505 HydrophobicContact CE1-CD1 4.43Å; F496-I505 HydrophobicContact CG-CD1 4.31Å
497S70.3Confident76.6Confident13 Ų1342.4 Ų42.49%0.09123%0.232CC..THydrogen-bonded Turntrans-57.9-17.2-175.854.90000115.1H56 V492 E493H56-S497 PolarHBondContact CD2-O 3.37Å; V492-S497 PolarHBondContact O-N 3.1Å; E493-S497 WeakPolarHBondContact O-CB 3.48Å; E493-S497 PolarHBondContact O-OG 3.37Å
498G54.6Low76.4Confident25 Ų2541.1 Ų41.126%0.25823%0.226SC..THydrogen-bonded Turntrans-84.2-20.2176.100000115.9C326 F496C326-G498 VanDerWaalsContact SG-CA 3.52Å; C326-G498 PolarHBondContact SG-N 2.85Å; F496-G498 PolarHBondContact O-N 2.78Å
499L51.1Low76.2Confident93 Ų9337.7 Ų37.749%0.48721%0.211SC..THydrogen-bonded Turntrans-121.3-27.4-172.8-73.3175.6000113.4C326 F496C326-L499 HydrophobicContact CB-CB 4.16Å; C326-L499 HydrophobicContact CB-CD1 3.49Å; C326-L499 VanDerWaalsContact CB-CD1 3.49Å; C326-L499 HydrophobicContact CB-CG 3.52Å; C326-L499 VanDerWaalsContact O-CD1 3.32Å; C326-L499 WeakPolarHBondContact O-CD1 3.48Å; F496-L499 PolarHBondContact O-N 3.44Å
500I52.3Low76.1Confident25 Ų2534.5 Ų34.513%0.12820%0.198CC..  trans-118112.6-170.5-55.8-172.8000105.4F496 L503 I505F496-I500 HydrophobicContact CB-CB 4.28Å; F496-I500 HydrophobicContact CB-CD1 3.94Å; F496-I500 HydrophobicContact CB-CG1 4.22Å; F496-I500 HydrophobicContact CD1-CD1 3.54Å; F496-I500 HydrophobicContact CD1-CG1 4.45Å; F496-I500 HydrophobicContact CE1-CD1 4.4Å; F496-I500 HydrophobicContact CG-CD1 4.07Å; F496-I500 PolarHBondContact O-N 3.21Å; I500-L503 HydrophobicContact CG2-CB 3.61Å; I500-L503 HydrophobicContact CG2-CD2 4.12Å; I500-L503 HydrophobicContact CG2-CG 4.06Å; I500-L503 WeakPolarHBondContact CG2-O 3.16Å; I500-I505 HydrophobicContact CD1-CD1 3.44Å; I500-I505 VanDerWaalsContact CD1-CD1 3.44Å
501G52.6Low76Confident45 Ų4541 Ų4146%0.46423%0.226SC..SBendtrans-64.6-141.8177.100000111.7L503G501-L503 PolarHBondContact O-N 3.03Å
502N58Low75.7Confident120 Ų12041.5 Ų41.564%0.64223%0.229SC*.SBendtrans-67.726.1172.6-64.6-25.4000113.8
503L63.7Low75.4Confident82 Ų8242 Ų4243%0.42923%0.231SC..  trans-88.5121.1-177.7177.166.4000109.6I500 G501 N507 V508I500-L503 HydrophobicContact CG2-CB 3.61Å; I500-L503 HydrophobicContact CG2-CD2 4.12Å; I500-L503 HydrophobicContact CG2-CG 4.06Å; I500-L503 WeakPolarHBondContact CG2-O 3.16Å; G501-L503 PolarHBondContact O-N 3.03Å; L503-N507 HydrophobicContact CD1-CB 4.04Å; L503-V508 HydrophobicContact CD1-CG2 4.32Å; L503-V508 HydrophobicContact CD2-CG2 3.49Å; L503-V508 VanDerWaalsContact CD2-CG2 3.49Å; L503-V508 HydrophobicContact CG-CG2 3.77Å
504Q80.5Confident75.2Confident83 Ų8348.1 Ų48.139%0.38826%0.257SS..  trans-72.3131.4173.4-70.1178.3-30.400109.9E506 N507Q504-E506 WeakPolarHBondContact CB-OE2 3.13Å; Q504-E506 PolarHBondContact O-N 3.14Å; Q504-E506 VanDerWaalsContact O-N 3.16Å; Q504-N507 WeakPolarHBondContact O-CB 3.35Å; Q504-N507 PolarHBondContact O-N 2.92Å
505I84.9Confident74.8Confident0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-55.6-33.8179-61.9-60.4000111.1L333 W362 V492 F496 I500 N507 V508 I509L333-I505 HydrophobicContact CD1-CG2 4.25Å; L333-I505 HydrophobicContact CD2-CD1 4.04Å; L333-I505 HydrophobicContact CD2-CG2 3.68Å; W362-I505 HydrophobicContact CD2-CB 4.08Å; W362-I505 HydrophobicContact CD2-CG2 3.59Å; W362-I505 HydrophobicContact CE3-CB 4.4Å; W362-I505 HydrophobicContact CE3-CG2 3.77Å; W362-I505 HydrophobicContact CG-CG2 4.05Å; W362-I505 HydrophobicContact CH2-CB 4.16Å; W362-I505 HydrophobicContact CH2-CG1 3.75Å; W362-I505 HydrophobicContact CH2-CG2 4.37Å; W362-I505 HydrophobicContact CZ2-CB 3.78Å; W362-I505 HydrophobicContact CZ2-CG1 3.79Å; W362-I505 HydrophobicContact CZ2-CG2 4.2Å; W362-I505 HydrophobicContact CZ3-CB 4.45Å; W362-I505 HydrophobicContact CZ3-CG1 4.17Å; W362-I505 HydrophobicContact CZ3-CG2 4.16Å; V492-I505 HydrophobicContact CG2-CD1 4.48Å; V492-I505 HydrophobicContact CG2-CG1 3.6Å; F496-I505 HydrophobicContact CD1-CD1 4.22Å; F496-I505 HydrophobicContact CE1-CD1 4.43Å; F496-I505 HydrophobicContact CG-CD1 4.31Å; I500-I505 HydrophobicContact CD1-CD1 3.44Å; I500-I505 VanDerWaalsContact CD1-CD1 3.44Å; I505-N507 PolarHBondContact O-N 3.16Å; I505-N507 VanDerWaalsContact O-N 3.11Å; I505-V508 WeakPolarHBondContact O-CA 3.37Å; I505-V508 WeakPolarHBondContact O-CB 3.31Å; I505-V508 PolarHBondContact O-N 3.24Å; I505-I509 HydrophobicContact CG2-CD1 4.12Å; I505-I509 HydrophobicContact CG2-CG1 4.38Å; I505-I509 WeakPolarHBondContact O-CG1 3.49Å; I505-I509 PolarHBondContact O-N 3.48Å
506E86.4Confident73.8Confident43 Ų4355.5 Ų55.520%0.20130%0.295CS..Hα-helixtrans-54.5-31.7175.9-65.181.6-17900112.9K359 W362 Q504 V508 P510K359-E506 HydrophobicContact CB-CG 4.47Å; K359-E506 WeakPolarHBondContact CE-O 3.4Å; K359-E506 HydrophobicContact CG-CB 4.25Å; K359-E506 WeakPolarHBondContact CG-O 3.42Å; K359-E506 WeakPolarHBondContact O-CG 3.33Å; W362-E506 PolarHBondContact NE1-OE1 3.36Å; Q504-E506 WeakPolarHBondContact CB-OE2 3.13Å; Q504-E506 PolarHBondContact O-N 3.14Å; Q504-E506 VanDerWaalsContact O-N 3.16Å; E506-V508 VanDerWaalsContact C-N 3.34Å; E506-P510 WeakPolarHBondContact O-CD 3.46Å
507N85Confident72.8Confident81 Ų8157.2 Ų57.243%0.43331%0.306SS..Hα-helixtrans-80.6-17.9177-63.1-33.3000112.6L503 Q504 I505 F511L503-N507 HydrophobicContact CD1-CB 4.04Å; Q504-N507 WeakPolarHBondContact O-CB 3.35Å; Q504-N507 PolarHBondContact O-N 2.92Å; I505-N507 PolarHBondContact O-N 3.16Å; I505-N507 VanDerWaalsContact O-N 3.11Å; N507-F511 WeakPolarHBondContact O-CD2 3.38Å; N507-F511 WeakPolarHBondContact O-CE2 3.42Å
508V85.3Confident71.9Confident33 Ų3362.2 Ų62.220%0.233%0.331CS..Hα-helixtrans-89.4-32-180-170.50000111.6L503 I505 E506 P510 F511 I512L503-V508 HydrophobicContact CD1-CG2 4.32Å; L503-V508 HydrophobicContact CD2-CG2 3.49Å; L503-V508 VanDerWaalsContact CD2-CG2 3.49Å; L503-V508 HydrophobicContact CG-CG2 3.77Å; I505-V508 WeakPolarHBondContact O-CA 3.37Å; I505-V508 WeakPolarHBondContact O-CB 3.31Å; I505-V508 PolarHBondContact O-N 3.24Å; E506-V508 VanDerWaalsContact C-N 3.34Å; V508-P510 VanDerWaalsContact C-CD 3.4Å; V508-P510 VanDerWaalsContact C-N 3.34Å; V508-F511 WeakPolarHBondContact O-CA 3.27Å; V508-F511 WeakPolarHBondContact O-CB 3.34Å; V508-F511 PolarHBondContact O-N 3.28Å; V508-I512 HydrophobicContact CG1-CD1 3.9Å; V508-I512 HydrophobicContact CG1-CG1 4.03Å; V508-I512 PolarHBondContact O-N 2.93Å
509I86.3Confident72Confident0 Ų067.8 Ų67.80%035%0.35CS..Hα-helixtrans-46.3-47.2178.6-64-58.3000113.7V337 L358 K359 W362 I505 F511 I512 L513V337-I509 HydrophobicContact CG2-CD1 3.84Å; L358-I509 HydrophobicContact CB-CG2 3.75Å; L358-I509 HydrophobicContact CD1-CG2 4.28Å; K359-I509 HydrophobicContact CG-CB 4.31Å; K359-I509 HydrophobicContact CG-CG2 4.42Å; W362-I509 HydrophobicContact CB-CD1 4.03Å; I505-I509 HydrophobicContact CG2-CD1 4.12Å; I505-I509 HydrophobicContact CG2-CG1 4.38Å; I505-I509 WeakPolarHBondContact O-CG1 3.49Å; I505-I509 PolarHBondContact O-N 3.48Å; I509-F511 PolarHBondContact O-N 2.94Å; I509-I512 HydrophobicContact CD1-CD1 4.41Å; I509-I512 PolarHBondContact O-N 3.44Å; I509-L513 HydrophobicContact CG2-CD1 4Å; I509-L513 HydrophobicContact CG2-CG 4.44Å; I509-L513 WeakPolarHBondContact O-CG 3.32Å; I509-L513 PolarHBondContact O-N 3.21Å
510P83.7Confident72.3Confident17 Ų1765.9 Ų65.911%0.1134%0.34CS..Hα-helixtrans-65.3-25.6-179.7-20.133.9000113.5E355 K359 E506 V508 K514E355-P510 HydrophobicContact CG-CB 4.3Å; E355-P510 HydrophobicContact CG-CG 3.99Å; E355-P510 WeakPolarHBondContact OE1-CG 3.46Å; K359-P510 VanDerWaalsContact CE-CG 3.49Å; E506-P510 WeakPolarHBondContact O-CD 3.46Å; V508-P510 VanDerWaalsContact C-CD 3.4Å; V508-P510 VanDerWaalsContact C-N 3.34Å; P510-K514 WeakPolarHBondContact O-CD 3.4Å; P510-K514 VanDerWaalsContact O-CG 3.31Å; P510-K514 WeakPolarHBondContact O-CG 3.28Å
511F83.4Confident72.6Confident140 Ų14066.4 Ų66.461%0.61434%0.341SS*.Hα-helixtrans-78.3-42.3175.1-61.4-85.4000110.4N507 V508 I509 L513 K514 M515N507-F511 WeakPolarHBondContact O-CD2 3.38Å; N507-F511 WeakPolarHBondContact O-CE2 3.42Å; V508-F511 WeakPolarHBondContact O-CA 3.27Å; V508-F511 WeakPolarHBondContact O-CB 3.34Å; V508-F511 PolarHBondContact O-N 3.28Å; I509-F511 PolarHBondContact O-N 2.94Å; F511-L513 VanDerWaalsContact C-N 3.32Å; F511-L513 PolarHBondContact O-N 3.35Å; F511-K514 PolarHBondContact O-N 2.99Å; F511-K514 VanDerWaalsContact O-N 3.12Å; F511-M515 WeakPolarHBondContact O-CG 3.15Å; F511-M515 PolarHBondContact O-N 2.84Å; F511-M515 VanDerWaalsContact O-N 3.09Å
512I84.4Confident72.1Confident13 Ų1366.2 Ų66.27%0.06734%0.339CS..Hα-helixtrans-57.7-45.8175.8-66.8168.3000110.8L333 F334 V337 V508 I509 K514 M515L333-I512 HydrophobicContact CD2-CD1 4.09Å; L333-I512 HydrophobicContact CG-CD1 4.17Å; F334-I512 HydrophobicContact CD2-CB 4.39Å; F334-I512 HydrophobicContact CD2-CG1 4.34Å; F334-I512 HydrophobicContact CD2-CG2 3.59Å; F334-I512 HydrophobicContact CE2-CG2 4.02Å; F334-I512 HydrophobicContact CG-CG2 4.38Å; V337-I512 HydrophobicContact CB-CG2 3.63Å; V337-I512 HydrophobicContact CG1-CB 4.38Å; V337-I512 HydrophobicContact CG1-CG2 3.54Å; V337-I512 HydrophobicContact CG2-CG2 4.11Å; V508-I512 HydrophobicContact CG1-CD1 3.9Å; V508-I512 HydrophobicContact CG1-CG1 4.03Å; V508-I512 PolarHBondContact O-N 2.93Å; I509-I512 HydrophobicContact CD1-CD1 4.41Å; I509-I512 PolarHBondContact O-N 3.44Å; I512-K514 PolarHBondContact O-N 2.97Å; I512-M515 PolarHBondContact O-N 2.73Å; I512-M515 VanDerWaalsContact O-N 3.13Å
513L81.3Confident70.8Confident22 Ų2269.1 Ų69.112%0.11535%0.349CS..THydrogen-bonded Turntrans-61.1-26179.4-74.8170.1000114.1V337 K341 E354 E355 L358 I509 F511V337-L513 HydrophobicContact CG1-CD2 3.6Å; V337-L513 HydrophobicContact CG1-CG 3.99Å; K341-L513 HydrophobicContact CD-CD2 4.49Å; K341-L513 PolarHBondContact NZ-O 3.15Å; E354-L513 WeakPolarHBondContact OE1-CD2 3.16Å; E355-L513 HydrophobicContact CB-CD1 3.88Å; E355-L513 HydrophobicContact CG-CD1 4.07Å; L358-L513 HydrophobicContact CD1-CD1 4Å; L358-L513 HydrophobicContact CD1-CD2 3.72Å; L358-L513 HydrophobicContact CD1-CG 4.17Å; I509-L513 HydrophobicContact CG2-CD1 4Å; I509-L513 HydrophobicContact CG2-CG 4.44Å; I509-L513 WeakPolarHBondContact O-CG 3.32Å; I509-L513 PolarHBondContact O-N 3.21Å; F511-L513 VanDerWaalsContact C-N 3.32Å; F511-L513 PolarHBondContact O-N 3.35Å
514K78.8Confident69.4Low169 Ų16969.6 Ų69.674%0.73536%0.355SS*.THydrogen-bonded Turntrans-92.5-15.6179.6-69.3176.2-175.7-179.60113.6P510 F511 I512P510-K514 WeakPolarHBondContact O-CD 3.4Å; P510-K514 VanDerWaalsContact O-CG 3.31Å; P510-K514 WeakPolarHBondContact O-CG 3.28Å; F511-K514 PolarHBondContact O-N 2.99Å; F511-K514 VanDerWaalsContact O-N 3.12Å; I512-K514 PolarHBondContact O-N 2.97Å
515M76.7Confident67Low71 Ų7169.6 Ų69.635%0.3536%0.361SS..SBendtrans-81.1146.6179-77.4-179.475.900110.5F334 F511 I512 I520F334-M515 HydrophobicContact CE2-CB 3.83Å; F334-M515 HydrophobicContact CZ-CB 4.35Å; F511-M515 WeakPolarHBondContact O-CG 3.15Å; F511-M515 PolarHBondContact O-N 2.84Å; F511-M515 VanDerWaalsContact O-N 3.09Å; I512-M515 PolarHBondContact O-N 2.73Å; I512-M515 VanDerWaalsContact O-N 3.13Å; M515-I520 HydrophobicContact CE-CD1 3.71Å; M515-I520 HydrophobicContact CE-CG1 3.95Å; M515-I520 HydrophobicContact SD-CD1 4.49Å
516D66Low64.4Low89 Ų8976 Ų7648%0.47640%0.402SS..  trans-88.8139176.8-161.9-9.4000109.9L518 Q519D516-L518 PolarHBondContact O-N 3.48Å; D516-Q519 HydrophobicContact CB-CG 4.24Å; D516-Q519 WeakPolarHBondContact O-CB 3.43Å; D516-Q519 PolarHBondContact O-N 3.14Å
517V63.1Low62Low38 Ų3877.1 Ų77.123%0.2343%0.425CS..THydrogen-bonded Turntrans-58.5-37.7-174.7-177.30000111.9F334 H338 Q519 I520 F521F334-V517 HydrophobicContact CE1-CB 4.36Å; F334-V517 HydrophobicContact CE1-CG1 4.33Å; F334-V517 HydrophobicContact CE1-CG2 4.3Å; H338-V517 HydrophobicContact CB-CG2 4.08Å; H338-V517 WeakPolarHBondContact CD2-CG2 3.06Å; H338-V517 WeakPolarHBondContact CE1-CG2 3.3Å; H338-V517 WeakPolarHBondContact ND1-CG2 3.37Å; H338-V517 WeakPolarHBondContact NE2-CG2 3.46Å; V517-Q519 PolarHBondContact O-N 3.05Å; V517-Q519 VanDerWaalsContact O-N 3.16Å; V517-I520 PolarHBondContact O-N 2.97Å; V517-I520 VanDerWaalsContact O-N 3.08Å; V517-F521 HydrophobicContact CG1-CD2 3.79Å; V517-F521 HydrophobicContact CG1-CE2 4.28Å; V517-F521 PolarHBondContact O-N 3.07Å
518L52.5Low59.7Low118 Ų11880.6 Ų80.662%0.61844%0.443SS*.Hα-helixtrans-61.6-23.9-178.4-62.2177.4000112.3D516 I520D516-L518 PolarHBondContact O-N 3.48Å; L518-I520 VanDerWaalsContact C-N 3.29Å; L518-I520 PolarHBondContact O-N 3.33Å
519Q55.2Low57.1Low141 Ų14189 Ų8966%0.65949%0.486SS*.Hα-helixtrans-73.7-19.3178.8-65.8-179.1-1.400113.2D516 V517D516-Q519 HydrophobicContact CB-CG 4.24Å; D516-Q519 WeakPolarHBondContact O-CB 3.43Å; D516-Q519 PolarHBondContact O-N 3.14Å; V517-Q519 PolarHBondContact O-N 3.05Å; V517-Q519 VanDerWaalsContact O-N 3.16Å
520I57.7Low55.7Low53 Ų5393.4 Ų93.427%0.27251%0.51SS..Hα-helixtrans-106.1-41.4-173.8-59.1-158.1000112.6F334 M515 V517 L518F334-I520 HydrophobicContact CB-CD1 4.35Å; F334-I520 HydrophobicContact CD1-CB 4.25Å; F334-I520 HydrophobicContact CD1-CD1 3.87Å; F334-I520 HydrophobicContact CD1-CG1 4.41Å; F334-I520 HydrophobicContact CD1-CG2 4.34Å; F334-I520 HydrophobicContact CD2-CD1 3.19Å; F334-I520 HydrophobicContact CD2-CG1 4.33Å; F334-I520 HydrophobicContact CE1-CB 4.07Å; F334-I520 HydrophobicContact CE1-CD1 3.9Å; F334-I520 HydrophobicContact CE1-CG1 4.09Å; F334-I520 HydrophobicContact CE2-CD1 3.23Å; F334-I520 HydrophobicContact CE2-CG1 4.01Å; F334-I520 HydrophobicContact CG-CD1 3.53Å; F334-I520 HydrophobicContact CZ-CB 4.36Å; F334-I520 HydrophobicContact CZ-CD1 3.59Å; F334-I520 HydrophobicContact CZ-CG1 3.88Å; M515-I520 HydrophobicContact CE-CD1 3.71Å; M515-I520 HydrophobicContact CE-CG1 3.95Å; M515-I520 HydrophobicContact SD-CD1 4.49Å; V517-I520 PolarHBondContact O-N 2.97Å; V517-I520 VanDerWaalsContact O-N 3.08Å; L518-I520 VanDerWaalsContact C-N 3.29Å; L518-I520 PolarHBondContact O-N 3.33Å
521F59.4Low54.2Low36 Ų3697.4 Ų97.416%0.15853%0.531CS..Hα-helixtrans-92.5-6.5-176.4-64.9-69.8000114.1L310 P311 R331 F334 L335 V517L310-F521 HydrophobicContact CD1-CE1 4.35Å; P311-F521 HydrophobicContact CB-CD1 4.15Å; P311-F521 HydrophobicContact CG-CD1 3.7Å; P311-F521 HydrophobicContact CG-CE1 4.08Å; P311-F521 HydrophobicContact CG-CG 4.34Å; R331-F521 HydrophobicContact CB-CE1 4.03Å; R331-F521 HydrophobicContact CB-CZ 4.32Å; R331-F521 HydrophobicContact CG-CE1 4.18Å; F334-F521 AromaticContact CD1-CE2 3.74Å; F334-F521 HydrophobicContact CD1-CE2 3.74Å; F334-F521 HydrophobicContact CD1-CZ 4.33Å; F334-F521 HydrophobicContact CE1-CE2 4.09Å; L335-F521 HydrophobicContact CB-CZ 4.25Å; V517-F521 HydrophobicContact CG1-CD2 3.79Å; V517-F521 HydrophobicContact CG1-CE2 4.28Å; V517-F521 PolarHBondContact O-N 3.07Å
522G41.7Very low52.6Low41 Ų4195.1 Ų95.142%0.42353%0.527SS..  trans63.5173.2-16900000111V524G522-V524 VanDerWaalsContact C-N 3.29Å; G522-V524 PolarHBondContact O-N 2.9Å
523Q30.8Very low50.7Low182 Ų18299.9 Ų99.985%0.8555%0.554SS**  trans-64.389.1175.3-74.3-179.1-23.900110.3V525Q523-V525 PolarHBondContact O-N 3.41Å
524V34.4Very low48.8Very low91 Ų91104.8 Ų104.855%0.55258%0.581SS**  trans-82.498.1155.3-176.20000105.1G522G522-V524 VanDerWaalsContact C-N 3.29Å; G522-V524 PolarHBondContact O-N 2.9Å
525V29.9Very low46.8Very low84 Ų84100.5 Ų100.551%0.50957%0.571SS.*  trans-64.9127.8173.3179.90000107.1Q523 G527Q523-V525 PolarHBondContact O-N 3.41Å; V525-G527 VanDerWaalsContact C-N 3.3Å; V525-G527 PolarHBondContact O-N 3.46Å
526P29.5Very low44.7Very low135 Ų135102.6 Ų102.688%0.87759%0.586SS**THydrogen-bonded Turntrans-67.493.7172.426-29.5000107.9
527G37.2Very low43Very low65 Ų65103.6 Ų103.667%0.6760%0.595SS**THydrogen-bonded Turntrans168.3-15.8-172.800000115.6V525V525-G527 VanDerWaalsContact C-N 3.3Å; V525-G527 PolarHBondContact O-N 3.46Å
528D36.1Very low41.3Very low154 Ų154109.1 Ų109.182%0.82463%0.625SS**  trans-110.231.2178.2-74.5-35.9000113.7
529L31.7Very low40.3Very low209 Ų209108.3 Ų108.3100%1.09463%0.626SS**  trans-114.70170.2-99.1158.2000111

Retrieved 529 of 529 residues in 104.9 ms (Link to these results)