A0A3B3VZV0_9TELE Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A3B3VZV0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 408 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.4Very low42.3Very low221 Ų221147.6 Ų147.6100%1.08971%0.705SS**  0-10.10-84.2-178.6172.300115.2R3M1-R3 PolarHBondContact O-N 3.35Å
2Q35.4Very low42.7Very low167 Ų167141.6 Ų141.678%0.7869%0.688SS**Hα-helixtrans-57.4-38.9-175.4-87.479.7-16.500116.3S4 R5 G6Q2-S4 PolarHBondContact O-N 3.28Å; Q2-R5 WeakPolarHBondContact O-CB 3.4Å; Q2-R5 PolarHBondContact O-N 2.97Å; Q2-R5 VanDerWaalsContact O-N 3.16Å; Q2-G6 PolarHBondContact O-N 3.45Å
3R35.8Very low43.5Very low234 Ų234137.2 Ų137.288%0.88368%0.679SS**Hα-helixtrans-65.5-34.7-164.1-154170.7-173.7169.41.1114.6M1M1-R3 PolarHBondContact O-N 3.35Å
4S38.3Very low44.3Very low89 Ų89133.6 Ų133.662%0.62267%0.668SS**Hα-helixtrans-69.7-35.9176.2-179.10000112.5Q2 G6 M7 L8Q2-S4 PolarHBondContact O-N 3.28Å; S4-G6 PolarHBondContact O-N 2.71Å; S4-M7 PolarHBondContact O-N 3.49Å; S4-L8 PolarHBondContact O-N 3.09Å
5R42.3Very low44.6Very low213 Ų213132.7 Ų132.780%0.80467%0.666SS**Hα-helixtrans-65.1-27.4-180-157.1172.8-176.7-179.90.2112.4Q2 K9Q2-R5 WeakPolarHBondContact O-CB 3.4Å; Q2-R5 PolarHBondContact O-N 2.97Å; Q2-R5 VanDerWaalsContact O-N 3.16Å; R5-K9 WeakPolarHBondContact O-CB 3.34Å; R5-K9 PolarHBondContact O-N 3.45Å
6G40.8Very low45.2Very low43 Ų43132 Ų13244%0.44366%0.664SS.*Hα-helixtrans-70.9-40.4173.200000113.7Q2 S4 K9 S10Q2-G6 PolarHBondContact O-N 3.45Å; S4-G6 PolarHBondContact O-N 2.71Å; G6-K9 PolarHBondContact O-N 3.44Å; G6-S10 WeakPolarHBondContact O-CB 3.49Å; G6-S10 PolarHBondContact O-N 3.32Å
7M42.5Very low45.7Very low120 Ų120126.1 Ų126.159%0.59164%0.644SS**Hα-helixtrans-70.7-36.6-178.1-65-173.774.900112.7S4 R11S4-M7 PolarHBondContact O-N 3.49Å; M7-R11 WeakPolarHBondContact O-CG 3.43Å; M7-R11 PolarHBondContact O-N 2.72Å; M7-R11 VanDerWaalsContact O-N 3.15Å
8L43.3Very low46Very low127 Ų127124.4 Ų124.467%0.66564%0.637SS**Hα-helixtrans-64.2-44.2172.6-125.978.1000111.4S4 R11 C12S4-L8 PolarHBondContact O-N 3.09Å; L8-R11 PolarHBondContact O-N 3.11Å; L8-C12 PolarHBondContact O-N 3.11Å; L8-C12 VanDerWaalsContact O-N 3.07Å
9K45.7Very low45.8Very low156 Ų156123.6 Ų123.668%0.67863%0.633SS**Hα-helixtrans-64.3-42.2180-155.5171.8-173.5-176.80111.6R5 G6 R11 C12 C13R5-K9 WeakPolarHBondContact O-CB 3.34Å; R5-K9 PolarHBondContact O-N 3.45Å; G6-K9 PolarHBondContact O-N 3.44Å; K9-R11 PolarHBondContact O-N 3.32Å; K9-C12 PolarHBondContact O-N 3.06Å; K9-C13 PolarHBondContact O-N 2.93Å; K9-C13 PolarHBondContact O-SG 3.16Å
10S46.1Very low45.9Very low74 Ų74126.9 Ų126.952%0.51764%0.637SS.*Hα-helixtrans-60.8-42.9175.1-173.30000112.7G6 C13 V14G6-S10 WeakPolarHBondContact O-CB 3.49Å; G6-S10 PolarHBondContact O-N 3.32Å; S10-C13 PolarHBondContact O-N 2.91Å; S10-V14 PolarHBondContact O-N 3.4Å
11R51.3Low46.3Very low180 Ų180126.2 Ų126.268%0.67964%0.639SS**Hα-helixtrans-68.7-35.9178.5-70.8-179.7179.9-146.6-1.2113.3M7 L8 K9 L15M7-R11 WeakPolarHBondContact O-CG 3.43Å; M7-R11 PolarHBondContact O-N 2.72Å; M7-R11 VanDerWaalsContact O-N 3.15Å; L8-R11 PolarHBondContact O-N 3.11Å; K9-R11 PolarHBondContact O-N 3.32Å; R11-L15 PolarHBondContact O-N 3.13Å
12C47.4Very low46.6Very low75 Ų75122.6 Ų122.651%0.50762%0.624SS.*Hα-helixtrans-67-36.9171.2-77.50000112.9L8 K9 L15 L16L8-C12 PolarHBondContact O-N 3.11Å; L8-C12 VanDerWaalsContact O-N 3.07Å; K9-C12 PolarHBondContact O-N 3.06Å; C12-L15 PolarHBondContact O-N 3.07Å; C12-L16 WeakPolarHBondContact O-CD1 3.22Å; C12-L16 PolarHBondContact O-N 3.05Å
13C53.3Low47.2Very low84 Ų84121.1 Ų121.157%0.56862%0.62SS**Hα-helixtrans-66.6-36.2179.6-72.50000113.2K9 S10 G17K9-C13 PolarHBondContact O-N 2.93Å; K9-C13 PolarHBondContact O-SG 3.16Å; S10-C13 PolarHBondContact O-N 2.91Å; C13-G17 PolarHBondContact O-N 2.88Å; C13-G17 VanDerWaalsContact O-N 3.08Å
14V54.4Low47.7Very low87 Ų87116.4 Ų116.453%0.52761%0.612SS.*Hα-helixtrans-66-49.5174.8176.90000110.6S10 L16 G17 D18S10-V14 PolarHBondContact O-N 3.4Å; V14-L16 VanDerWaalsContact C-N 3.32Å; V14-L16 PolarHBondContact O-N 3.32Å; V14-G17 WeakPolarHBondContact O-CA 3.26Å; V14-G17 PolarHBondContact O-N 3.48Å; V14-D18 PolarHBondContact O-N 2.84Å
15L49.7Very low48.2Very low121 Ų121114.8 Ų114.863%0.63461%0.61SS**Hα-helixtrans-62.4-33.4179.7-69.6170.4000113.7R11 C12 L19R11-L15 PolarHBondContact O-N 3.13Å; C12-L15 PolarHBondContact O-N 3.07Å; L15-L19 PolarHBondContact O-N 3.24Å
16L53.5Low48.2Very low121 Ų121111.1 Ų111.163%0.63461%0.613SS**Hα-helixtrans-75.5-24.5171.8-96.676.7000113.3C12 V14 R20C12-L16 WeakPolarHBondContact O-CD1 3.22Å; C12-L16 PolarHBondContact O-N 3.05Å; V14-L16 VanDerWaalsContact C-N 3.32Å; V14-L16 PolarHBondContact O-N 3.32Å; L16-R20 PolarHBondContact O-N 2.87Å
17G54.4Low48.2Very low32 Ų32120.6 Ų120.633%0.3364%0.636SS.*Hα-helixtrans-67.7-52.7173.700000111.2C13 V14 L19 R20 V21C13-G17 PolarHBondContact O-N 2.88Å; C13-G17 VanDerWaalsContact O-N 3.08Å; V14-G17 WeakPolarHBondContact O-CA 3.26Å; V14-G17 PolarHBondContact O-N 3.48Å; G17-L19 VanDerWaalsContact C-N 3.31Å; G17-L19 PolarHBondContact O-N 3.17Å; G17-R20 WeakPolarHBondContact O-CB 3.43Å; G17-R20 PolarHBondContact O-N 3.44Å; G17-V21 PolarHBondContact O-N 3.04Å
18D49.8Very low48.1Very low95 Ų95118.9 Ų118.951%0.50864%0.64SS.*Hα-helixtrans-62.4-38.4-179-62.2-34.5000112V14 R20 V21 L22V14-D18 PolarHBondContact O-N 2.84Å; D18-R20 VanDerWaalsContact C-N 3.32Å; D18-R20 PolarHBondContact O-N 2.84Å; D18-V21 PolarHBondContact O-N 3.18Å; D18-L22 PolarHBondContact O-N 3.04Å; D18-L22 VanDerWaalsContact O-N 3.1Å
19L43.1Very low48.2Very low109 Ų109118.2 Ų118.257%0.57164%0.644SS**Hα-helixtrans-66.7-31.3175.5-151.281000112.7L15 G17 L23L15-L19 PolarHBondContact O-N 3.24Å; G17-L19 VanDerWaalsContact C-N 3.31Å; G17-L19 PolarHBondContact O-N 3.17Å; L19-L23 HydrophobicContact CG-CD1 4.38Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.18Å; L19-L23 PolarHBondContact O-N 2.61Å
20R47.7Very low48.2Very low189 Ų189116.8 Ų116.871%0.71365%0.65SS**Hα-helixtrans-71.7-38173.7-93.7-176.3165.3178.6-3.9112.3L16 G17 D18 L22 L23 L24L16-R20 PolarHBondContact O-N 2.87Å; G17-R20 WeakPolarHBondContact O-CB 3.43Å; G17-R20 PolarHBondContact O-N 3.44Å; D18-R20 VanDerWaalsContact C-N 3.32Å; D18-R20 PolarHBondContact O-N 2.84Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L23 PolarHBondContact O-N 2.76Å; R20-L24 WeakPolarHBondContact O-CB 3.4Å; R20-L24 PolarHBondContact O-N 2.66Å; R20-L24 VanDerWaalsContact O-N 3.1Å
21V53.7Low47.9Very low113 Ų113119.5 Ų119.569%0.68566%0.664SS**Hα-helixtrans-65.7-37176.8175.40000111.1G17 D18G17-V21 PolarHBondContact O-N 3.04Å; D18-V21 PolarHBondContact O-N 3.18Å
22L50.1Low47.4Very low146 Ų146116.7 Ų116.776%0.76467%0.669SS**Hα-helixtrans-71.1-26175.1-82.8160.3000114.6D18 R20D18-L22 PolarHBondContact O-N 3.04Å; D18-L22 VanDerWaalsContact O-N 3.1Å; R20-L22 VanDerWaalsContact C-N 3.32Å
23L47.8Very low47.3Very low135 Ų135121 Ų12171%0.70769%0.686SS**Hα-helixtrans-97.9-13.1-177.3-72.7171.6000114.8L19 R20L19-L23 HydrophobicContact CG-CD1 4.38Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.18Å; L19-L23 PolarHBondContact O-N 2.61Å; R20-L23 PolarHBondContact O-N 2.76Å
24L46.8Very low46.8Very low136 Ų136122.4 Ų122.471%0.71269%0.694SS**  trans-128.340.1-175.3-72.9162.7000112.9R20R20-L24 WeakPolarHBondContact O-CB 3.4Å; R20-L24 PolarHBondContact O-N 2.66Å; R20-L24 VanDerWaalsContact O-N 3.1Å
25G48.8Very low46.2Very low55 Ų55124.2 Ų124.257%0.56771%0.708SS**PPolyproline II helixtrans-59.1143.3168.400000112.1R27G25-R27 PolarHBondContact O-N 3.44Å
26P42.3Very low46Very low136 Ų136126.6 Ų126.688%0.88372%0.72SS**PPolyproline II helixtrans-59.9135.4-177.8-24.534.4000113.3
27R39.9Very low45.1Very low242 Ų242127.2 Ų127.291%0.91373%0.729SS**PPolyproline II helixtrans-71.5126.1176.3-172.3179.4-176123.4-2.1110.2G25G25-R27 PolarHBondContact O-N 3.44Å
28A41.8Very low44.5Very low83 Ų83131.1 Ų131.169%0.68675%0.749SS**PPolyproline II helixtrans-62.5144.8173.300000111.6
29P45.3Very low43.6Very low114 Ų114134.6 Ų134.674%0.7476%0.764SS**PPolyproline II helixtrans-72.8154.1-18030.5-35000112.2
30P44.3Very low43Very low125 Ų125135.1 Ų135.181%0.81278%0.777SS**PPolyproline II helixtrans-77.3133.7-177.931-34.3000112.7
31T40.3Very low42.1Very low132 Ų132129.8 Ų129.881%0.8178%0.78SS**PPolyproline II helixtrans-74.5137.4171.3-27.10000110.7
32P40Very low40.9Very low120 Ų120133.6 Ų133.678%0.77979%0.791SS**PPolyproline II helixtrans-73.7145.7177.7-14.129.3000112.8
33L45.9Very low39.9Very low167 Ų167130.8 Ų130.887%0.87479%0.789SS**PPolyproline II helixtrans-83.3140.9167.7-71.7165.1000110.5
34P44.1Very low39.1Very low113 Ų113129.1 Ų129.173%0.73479%0.789SS**PPolyproline II helixtrans-76.2160.2172.432.1-34000112.3
35P41.2Very low38.3Very low124 Ų124131.3 Ų131.381%0.80580%0.795SS**PPolyproline II helixtrans-79.8155.5-167.531.8-36.4000114.9
36L45.4Very low37.4Very low172 Ų172132.9 Ų132.990%0.90180%0.798SS**PPolyproline II helixtrans-87.4138174-69.7165.6000112.1
37T34.3Very low36.8Very low134 Ų134134.4 Ų134.482%0.82279%0.792SS**  trans-152.7157.5160.918.70000109.3
38P41.8Very low36.3Very low113 Ų113130.5 Ų130.573%0.73479%0.785SS**  -128.1166.6-116.242.5-31.3000117.9
39M32.1Very low35.7Very low168 Ų168130.6 Ų130.683%0.82879%0.785SS**  trans60.9123.4143.3-76.3-71.4-78.700122.6
40S29.9Very low34.9Very low120 Ų120130.5 Ų130.584%0.83979%0.787SS**  trans78.7129.3135.8-159.50000120.1
41G28.3Very low34.3Very low77 Ų77130.8 Ų130.879%0.79479%0.786SS**  trans164.7113.7168.700000114.6
42Q29.4Very low33.7Very low193 Ų193130.1 Ų130.190%0.90278%0.782SS**  trans-64.4158.4-174-72.4159.5-67.100118.3
43A29.2Very low33.2Very low88 Ų88130.3 Ų130.373%0.72778%0.781SS**  trans64.2122.6133.100000123.6
44S30.6Very low32.5Very low100 Ų100128.4 Ų128.470%0.69978%0.777SS**  42.4140.8122.7-51.80000124.3
45E29.5Very low32.2Very low182 Ų182128.7 Ų128.785%0.8578%0.776SS**  trans70.9148.7154-70.2167.3109.100117.3
46S29.1Very low32.2Very low88 Ų88129.1 Ų129.162%0.61578%0.779SS**  cis-176151.2-12.5530000110.3
47H30.2Very low31.4Very low168 Ų168126.8 Ų126.878%0.77877%0.767SS**  trans63.6155.3163.1-77.2-126000117.8
48E29.3Very low31.3Very low160 Ų160125.3 Ų125.375%0.74875%0.754SS**  cis-159.3163.8-14.5-128.2-177.3114.700111.3
49A30Very low30.9Very low85 Ų85125.5 Ų125.570%0.70275%0.749SS**  trans53.4121.6157.600000120.8
50S28.6Very low30.9Very low111 Ų111123.6 Ų123.678%0.77674%0.742SS**  169.5148.561.543.90000114.4
51V30.7Very low30.9Very low131 Ų131123.1 Ų123.179%0.79473%0.734SS**  trans78.387.1144.3174.50000122.5
52T28.8Very low31Very low118 Ų118126.1 Ų126.172%0.72473%0.732SS**  77.7143.3119.9-20.70000125.4
53V29.3Very low31Very low124 Ų124122.8 Ų122.875%0.75273%0.725SS**  trans67.9129.4163.2-123.80000116.7
54T30.5Very low31Very low128 Ų128130.5 Ų130.579%0.78574%0.735SS**  cis-149.9157.712-27.50000110.1
55V37.9Very low31.1Very low119 Ų119130.4 Ų130.472%0.72173%0.734SS**  trans-123.2153.3171.7-145.50000108.5D57V55-D57 HydrophobicContact CG1-CB 4.24Å
56P41.5Very low31.3Very low133 Ų133130.4 Ų130.486%0.86473%0.734SS**  -139150.287.437.1-23.4000113.8
57D27.6Very low31.4Very low122 Ų122134.7 Ų134.765%0.65274%0.744SS**  trans-138.8126.7178.3-154.2-4.2000109.6V55V55-D57 HydrophobicContact CG1-CB 4.24Å
58N33.7Very low31.3Very low104 Ų104133.3 Ų133.356%0.55674%0.738SS**  trans52.5159.2147.774.353.8000124.5
59N33.3Very low31.5Very low116 Ų116133.3 Ų133.362%0.6274%0.738SS**  trans71.9154.2143.3-66.1-18000119.3
60N32.5Very low31.4Very low128 Ų128137.3 Ų137.368%0.68474%0.742SS**  cis-169.9170.4-14.2-112.5-19.1000111.9
61T29Very low31.6Very low110 Ų110139.5 Ų139.568%0.67574%0.74SS**  trans78.9118.1136.4-74.10000122.9
62L29.7Very low31.7Very low141 Ų141140 Ų14074%0.73873%0.734SS**  trans58.7118.3141.1-92.166.1000124.1
63T30.7Very low31.8Very low123 Ų123142.4 Ų142.476%0.75574%0.737SS**  35117.812364.40000121.1
64R28.4Very low31.7Very low250 Ų250144.1 Ų144.194%0.94374%0.742SS**  -158.4158.2116-140.1171.2-172.4152.92.2111.7
65S32.9Very low31.6Very low98 Ų98141.3 Ų141.369%0.68574%0.739SS**  trans-101.6166.9-17651.30000113.6
66H33.2Very low31.2Very low182 Ų182139.7 Ų139.784%0.84375%0.745SS**  trans88.4139.8167.7-87.1-99.7000120.7
67Q30.7Very low30.6Very low178 Ų178139.8 Ų139.883%0.83274%0.739SS**  trans77.6139.1159.2-150.6167.91000117.2
68Q29.6Very low30.7Very low138 Ų138143.6 Ų143.665%0.64574%0.744SS**  cis176.4141.8-30.8169.3172.85.200107
69Q32.1Very low30.4Very low160 Ų160144.5 Ų144.575%0.74875%0.753SS**  trans66.8116.8160.6-81.9169-2.500122.4
70Q29.1Very low30.4Very low170 Ų170145.1 Ų145.179%0.79476%0.761SS**  -178.3149.5108.5-95.9178.836.800106.6
71Q32.4Very low30.7Very low157 Ų157144.9 Ų144.973%0.73477%0.767SS**  cis-151-171.37.7-102.916523.500107.5
72Q32Very low30.5Very low142 Ų142145.1 Ų145.166%0.66477%0.773SS**  -177.4145.9-53.4179.3164.61.500109.3
73Q31.4Very low30.5Very low167 Ų167143.1 Ų143.178%0.7878%0.776SS**  trans68.9150.1175-67.8153.83200116.6
74N28.4Very low30.4Very low160 Ų160142.2 Ų142.286%0.85678%0.781SS**  cis-145.1168.91.9-147.9-6.4000112.5
75G27.4Very low30.4Very low70 Ų70134 Ų13472%0.72277%0.774SS**  trans-67.8176.5-177.400000115.7
76G29.7Very low30.2Very low84 Ų84134.3 Ų134.387%0.86678%0.783SS**  cis111.7140.131.800000108.8
77D28.1Very low30Very low135 Ų135131 Ų13172%0.72279%0.787SS**  cis-158.3162.66.2-177.227000110.5
78R29.4Very low29.7Very low202 Ų202126.2 Ų126.276%0.76279%0.786SS**  trans78.5131.1145.3-123.5-176.4-178.1107.7-7125.5
79T28Very low29.8Very low123 Ų123124.6 Ų124.676%0.75580%0.796SS**  trans97.8139.4139.9-6.90000121.5
80V34.5Very low30.3Very low129 Ų129123.3 Ų123.378%0.78280%0.802SS**  trans-80150.4-176.5-163.90000111.5
81P37.1Very low30.1Very low123 Ų123118.9 Ų118.980%0.79980%0.802SS**  -144.4-177.4114.837.6-21.8000115
82S25.3Very low29.9Very low116 Ų116114.9 Ų114.981%0.81180%0.803SS**  trans-117.1172.2-179-176.10000111.7
83A29.3Very low29.6Very low98 Ų98118 Ų11881%0.8182%0.817SS**  trans68.9152.5174.400000116.4
84A30.1Very low29.8Very low104 Ų104120.8 Ų120.886%0.8682%0.821SS**  cis-145.6176.35.900000109.1
85G27.5Very low30.3Very low77 Ų77118.9 Ų118.979%0.79482%0.817SS**  cis148.4133.3-3.500000111.5
86A28.3Very low30.4Very low105 Ų105122 Ų12287%0.86882%0.822SS**  trans-159.7137165.700000111.7
87A28.8Very low30.3Very low112 Ų112121.7 Ų121.793%0.92682%0.818SS**  trans-17151.5177.500000120.8
88G26Very low30.2Very low79 Ų79118.3 Ų118.381%0.81482%0.815SS**  cis171.8158.90.600000111.9
89A29.8Very low30.1Very low103 Ų103121.1 Ų121.185%0.85183%0.826SS**  trans-101176.7172.700000109.9
90P43.1Very low30.4Very low133 Ų133122.1 Ų122.186%0.86483%0.832SS**  cis-126.5-169.927.939.1-18.9000113
91G25.8Very low30.3Very low78 Ų78123.1 Ų123.180%0.80483%0.833SS**  cis-171.6-168.916.600000109.4
92G27.1Very low30.3Very low73 Ų73122.2 Ų122.275%0.75384%0.835SS**  trans-133-151.1-167.500000117.3
93E26.5Very low30.9Very low206 Ų206119.8 Ų119.896%0.96382%0.823SS**  trans101.1159.5168-55.1-163.180.200120.2
94R35.8Very low31.3Very low227 Ų227123.4 Ų123.486%0.85782%0.823SS**  trans-89.6169.7-168.9-60.216197.2170.75.9112.3
95P38.8Very low31.4Very low119 Ų119125.4 Ų125.477%0.77382%0.818SS**  -134.6160.1104.517.44.3000111.9
96V30Very low31.8Very low136 Ų136125.5 Ų125.582%0.82481%0.807SS**  cis73.6134.844.5-176.40000112.8
97G27.2Very low32.2Very low77 Ų77124.2 Ų124.279%0.79480%0.796SS**  trans-134-171.6-169.300000116
98G25.3Very low32.6Very low64 Ų64122.9 Ų122.966%0.6679%0.785SS**  trans-158.9134.6173.700000107.8
99W28.1Very low33.2Very low261 Ų261126.9 Ų126.999%0.98979%0.787SS**  58.6106.676.4-71.558.6000112.9
100V33.8Very low33.8Very low145 Ų145132.7 Ų132.788%0.87979%0.787SS**  trans-138.3148.7165.8-77.30000108.7
101D32.9Very low33.3Very low150 Ų150129.4 Ų129.480%0.80278%0.778SS**  trans-80.9150.5-147.1-77.1-67.5000118.4A103D101-A103 PolarHBondContact O-N 2.97Å
102A36.3Very low33.4Very low103 Ų103132.2 Ų132.285%0.85178%0.784SS**THydrogen-bonded Turntrans-7320178.900000115.2
103A39.2Very low33.7Very low66 Ų66134.5 Ų134.555%0.54579%0.788SS.*THydrogen-bonded Turntrans-91.3-39.3-176.200000113.6D101 L105 S106D101-A103 PolarHBondContact O-N 2.97Å; A103-L105 PolarHBondContact O-N 3.32Å; A103-S106 PolarHBondContact O-N 3.23Å; A103-S106 PolarHBondContact O-OG 3.29Å
104E36.2Very low34Very low173 Ų173130.7 Ų130.781%0.80878%0.784SS**G310 helixtrans-73-23.1-172.7-80.9-173.195.200114.5S106 A107E104-S106 PolarHBondContact O-N 2.86Å; E104-A107 PolarHBondContact O-N 2.88Å
105L32Very low33.8Very low147 Ų147124.9 Ų124.977%0.7778%0.778SS**G310 helixtrans-68.1-15.8176.9-158.667.4000113A103A103-L105 PolarHBondContact O-N 3.32Å
106S37.4Very low33.6Very low78 Ų78124.2 Ų124.255%0.54578%0.776SS.*G310 helixtrans-80.8-10.6178.473.90000114.5A103 E104A103-S106 PolarHBondContact O-N 3.23Å; A103-S106 PolarHBondContact O-OG 3.29Å; E104-S106 PolarHBondContact O-N 2.86Å
107A36.3Very low33.9Very low78 Ų78125.1 Ų125.165%0.64578%0.777SS**THydrogen-bonded Turntrans-85.3-26.7179.800000113.3E104 L109E104-A107 PolarHBondContact O-N 2.88Å; A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 3.17Å
108A37Very low34.1Very low85 Ų85129 Ų12970%0.70278%0.779SS**THydrogen-bonded Turntrans-77.2-11.5-174.100000114.9
109L38.3Very low34.5Very low163 Ų163131 Ų13185%0.85378%0.782SS**THydrogen-bonded Turntrans-99.416.5-176.2-77171000114.5A107A107-L109 VanDerWaalsContact C-N 3.33Å; A107-L109 PolarHBondContact O-N 3.17Å
110R42.2Very low34.8Very low224 Ų224123.8 Ų123.885%0.84577%0.771SS**  trans-116.130.8-173.9-141.9-177.8-61.6-132.53.2114.9
111G32.9Very low34.8Very low65 Ų65127.4 Ų127.467%0.6778%0.775SS**SBendtrans-123.9133.4175.900000113.2
112C28.7Very low34.9Very low137 Ų137124 Ų12493%0.92678%0.775SS**  trans68.382168.5-59.90000117.9
113S32.2Very low34.8Very low121 Ų121128 Ų12885%0.84677%0.773SS**  trans-108.8113.9149.6-72.70000109.5
114S33.8Very low34.8Very low126 Ų126132.7 Ų132.788%0.88179%0.788SS**  trans-178.7109151.6-85.20000111.5
115S30.6Very low34.9Very low105 Ų105134.1 Ų134.173%0.73480%0.795SS**  163.8125.3118.9-1700000112.2
116S35.5Very low35.4Very low104 Ų104133.3 Ų133.373%0.72779%0.787SS**  trans62.1132.3147.752.40000122.2
117D35.8Very low35.8Very low156 Ų156140.4 Ų140.483%0.83480%0.802SS**  trans-62.4161.7171.3-43.5-92.4000112.5
118D32Very low36.2Very low159 Ų159147.2 Ų147.285%0.8582%0.817SS**  -17616761.4-156.6-28.9000112
119C33.2Very low36.7Very low105 Ų105145.1 Ų145.171%0.70980%0.798SS**  trans91122.1146.7-151.80000122.6
120S34.2Very low37.5Very low109 Ų109141.8 Ų141.876%0.76278%0.78SS**  trans81.971.4151.6-68.20000121.4G122S120-G122 PolarHBondContact O-N 3.01Å
121K34.8Very low38Very low222 Ų222132.9 Ų132.997%0.96575%0.751SS**  trans-45.3116144.3-179.7-179.2-175.2177.10112.3
122G33.7Very low39.1Very low78 Ų78131.8 Ų131.880%0.80473%0.733SS**  trans-171.111.2178.300000117.7S120S120-G122 PolarHBondContact O-N 3.01Å
123K34.9Very low40.1Very low188 Ų188134.8 Ų134.882%0.81773%0.726SS**  trans-129.873.1-176.7-166.5178.3-176.5178.50111.6
124L38.7Very low40.9Very low164 Ų164131.8 Ų131.886%0.85970%0.703SS**  trans-13714.8180-153.6101.8000115.3
125E38.3Very low41.6Very low202 Ų202136 Ų13694%0.94471%0.709SS**  trans-119.853.1172.5-67.6-149.2122.900112.4
126E42.3Very low42.4Very low131 Ų131135.5 Ų135.561%0.61271%0.705SS**  trans-128.342.5166-152.6-17717200110.7F128E126-F128 PolarHBondContact O-N 3.44Å
127R46.3Very low43.3Very low227 Ų227133.8 Ų133.886%0.85770%0.704SS**  trans-96.435.4-174-153.6-171.7175.3147.90.9114.4
128F45.4Very low44.1Very low220 Ų220133.6 Ų133.697%0.96570%0.696SS**  trans-146.553.8166-85.1-72.3000111.6E126E126-F128 PolarHBondContact O-N 3.44Å
129S46.5Very low45.8Very low41 Ų41133.3 Ų133.329%0.28768%0.683SS.*  trans-114.4121.4169.2-94.60000110.5T131 S164S129-T131 PolarHBondContact O-N 2.84Å; S129-T131 PolarHBondContact O-OG1 2.68Å; S129-S164 PolarHBondContact OG-OG 3.33Å
130L54.6Low47.9Very low93 Ų93129.9 Ų129.949%0.48766%0.659SS.*  trans-53.5111.2166.8-72.7137.5000108.6V142 F147L130-V142 HydrophobicContact CB-CG2 3.98Å; L130-V142 WeakPolarHBondContact O-CG2 3.17Å; L130-F147 HydrophobicContact CB-CD1 4.39Å; L130-F147 HydrophobicContact CD1-CD1 3.47Å; L130-F147 VanDerWaalsContact CD1-CD1 3.47Å; L130-F147 HydrophobicContact CD1-CE1 3.29Å; L130-F147 HydrophobicContact CD1-CG 4.46Å; L130-F147 HydrophobicContact CD1-CZ 4.18Å; L130-F147 HydrophobicContact CD2-CB 4.1Å; L130-F147 HydrophobicContact CD2-CD1 3.54Å; L130-F147 HydrophobicContact CD2-CD2 4.3Å; L130-F147 HydrophobicContact CD2-CE1 3.98Å; L130-F147 HydrophobicContact CD2-CG 3.71Å; L130-F147 HydrophobicContact CG-CD1 3.96Å; L130-F147 HydrophobicContact CG-CE1 4.21Å
131T53.9Low50.2Low37 Ų37128 Ų12823%0.22764%0.644CS.*  trans-143.6119.8-179.7-30.30000108.1S129 R139S129-T131 PolarHBondContact O-N 2.84Å; S129-T131 PolarHBondContact O-OG1 2.68Å; T131-R139 HydrophobicContact CG2-CB 3.93Å; T131-R139 HydrophobicContact CG2-CG 4.34Å
132S54.7Low52.9Low43 Ų43117.7 Ų117.730%0.30160%0.6SS.*  trans-67.9135.2168.343.80000109.3T140 V142S132-T140 PolarHBondContact OG-OG1 3.29Å; S132-V142 VanDerWaalsContact OG-CG1 3.28Å; S132-V142 WeakPolarHBondContact OG-CG1 3.13Å
133Y50.5Low55.7Low199 Ų199114 Ų11478%0.7856%0.561SS**BIsolated β-bridgetrans-90.6107.3173.3-33-93.1000107
134T48.9Very low58.5Low59 Ų59106.9 Ų106.936%0.36253%0.53SS..  trans-85.4148162.755.40000108.9S136 G137T134-S136 PolarHBondContact O-N 3.39Å; T134-S136 PolarHBondContact OG1-OG 2.92Å; T134-G137 PolarHBondContact O-N 2.79Å
135E48.3Very low61Low214 Ų214101.3 Ų101.3100%150%0.5SS*.THydrogen-bonded Turntrans-53.2-20.6179.8-101.7178.6117.100114.1G137E135-G137 PolarHBondContact O-N 3.17Å
136S47.8Very low63.6Low94 Ų9493 Ų9366%0.65746%0.464SS*.THydrogen-bonded Turntrans-86.115.9-179.155.90000115.7T134 F138T134-S136 PolarHBondContact O-N 3.39Å; T134-S136 PolarHBondContact OG1-OG 2.92Å; S136-F138 PolarHBondContact O-N 3.17Å
137G53.5Low66Low69 Ų6992 Ų9271%0.71146%0.458SS*.  trans67.4-9.9169.400000117.2T134 E135T134-G137 PolarHBondContact O-N 2.79Å; E135-G137 PolarHBondContact O-N 3.17Å
138F54.1Low68Low152 Ų15285 Ų8567%0.66744%0.435SS*.  trans-85.1133.1-179.5-165.2-95000111.5S136 T140S136-F138 PolarHBondContact O-N 3.17Å; F138-T140 HydrophobicContact CD1-CG2 4.46Å; F138-T140 PolarHBondContact O-N 3.17Å
139R66.8Low70Confident153 Ų15374.6 Ų74.658%0.57739%0.39SS*.BIsolated β-bridgetrans-80.396.6-178.6-63-72.3172.5179.30.3109.6T131T131-R139 HydrophobicContact CG2-CB 3.93Å; T131-R139 HydrophobicContact CG2-CG 4.34Å
140T76.9Confident71.8Confident32 Ų3275.9 Ų75.920%0.19640%0.397CS..  trans-74.9141177.851.10000111.4S132 F138 V142S132-T140 PolarHBondContact OG-OG1 3.29Å; F138-T140 HydrophobicContact CD1-CG2 4.46Å; F138-T140 PolarHBondContact O-N 3.17Å; T140-V142 PolarHBondContact O-N 2.78Å
141P83.5Confident73Confident70 Ų7077.7 Ų77.746%0.45540%0.403SS..  trans-71.7129.5175.528.9-33.2000110.4
142V91.3Very high74.1Confident5 Ų581.8 Ų81.83%0.0342%0.42CS..  trans-107.8159.2175.3-57.30000111.3L130 S132 T140 Q148 C167L130-V142 HydrophobicContact CB-CG2 3.98Å; L130-V142 WeakPolarHBondContact O-CG2 3.17Å; S132-V142 VanDerWaalsContact OG-CG1 3.28Å; S132-V142 WeakPolarHBondContact OG-CG1 3.13Å; T140-V142 PolarHBondContact O-N 2.78Å; V142-Q148 CarbonylContact C-O 3.59Å; V142-Q148 WeakPolarHBondContact CA-O 3.46Å; V142-Q148 WeakPolarHBondContact CB-O 3.32Å; V142-C167 WeakPolarHBondContact O-CB 3.19Å
143C93.3Very high75.4Confident0 Ų081.1 Ų81.10%042%0.419CS..  trans-73.3127.6177.1174.70000110.6I145 C146 F147 Q148 L155 C167 H169C143-I145 PolarHBondContact O-N 2.81Å; C143-C146 VanDerWaalsContact CB-SG 3.56Å; C143-F147 WeakPolarHBondContact O-CA 3.38Å; C143-F147 PolarHBondContact O-N 3.11Å; C143-Q148 PolarHBondContact N-O 3.04Å; C143-L155 HydrophobicContact CB-CD2 4.15Å; C143-C167 WeakPolarHBondContact CA-O 3.17Å; C143-H169 VanDerWaalsContact CB-CE1 3.41Å; C143-H169 WeakPolarHBondContact CB-CE1 3.35Å; C143-H169 VanDerWaalsContact CB-ND1 3.27Å; C143-H169 WeakPolarHBondContact CB-ND1 3.34Å; C143-H169 PolarHBondContact SG-N 3.5Å; C143-H169 PolarHBondContact SG-ND1 2.98Å
144R92.5Very high77.1Confident40 Ų4078.5 Ų78.515%0.15141%0.414CS..THydrogen-bonded Turntrans-63.9-12.6179.784-171-165.1126.918.9114.9F147 V165 C167 T168 E186R144-F147 WeakPolarHBondContact O-CE1 3.31Å; R144-V165 WeakPolarHBondContact CD-O 3.34Å; R144-C167 PolarHBondContact N-O 3.25Å; R144-T168 HydrophobicContact CG-CG2 3.66Å; R144-E186 IonicContact CZ-OE1 3.78Å; R144-E186 IonicContact NH1-OE1 3.42Å; R144-E186 IonicContact NH2-OE1 3.53Å; R144-E186 PolarHBondContact NH2-OE1 2.9Å
145I92.8Very high79.2Confident47 Ų4777.2 Ų77.224%0.24141%0.405CS..THydrogen-bonded Turntrans-100.2-47.4-173.4-62.1166000110.9C143 T168 C172 W176C143-I145 PolarHBondContact O-N 2.81Å; I145-T168 HydrophobicContact CD1-CG2 3.66Å; I145-T168 HydrophobicContact CG1-CG2 4.08Å; I145-C172 HydrophobicContact CB-CB 4.12Å; I145-C172 HydrophobicContact CD1-CB 3.92Å; I145-C172 HydrophobicContact CG2-CB 4.16Å; I145-W176 HydrophobicContact CD1-CB 3.98Å; I145-W176 HydrophobicContact CD1-CG 4.29Å
146C92.7Very high81.3Confident28 Ų2867.3 Ų67.319%0.18936%0.359CS..THydrogen-bonded Turntrans-110.6-10.1-176.366.70000114C143 Q148 H169C143-C146 VanDerWaalsContact CB-SG 3.56Å; C146-Q148 VanDerWaalsContact O-CD 3.32Å; C146-Q148 PolarHBondContact O-N 2.89Å; C146-Q148 PolarHBondContact O-NE2 3.48Å; C146-Q148 PolarHBondContact SG-OE1 2.81Å; C146-H169 PolarHBondContact SG-ND1 3.36Å; C146-H169 VanDerWaalsContact SG-ND1 3.38Å
147F91.1Very high83.4Confident109 Ų10964.3 Ų64.348%0.47834%0.338SS..  trans65.211.2178-41.9-54.3000116L130 C143 R144L130-F147 HydrophobicContact CB-CD1 4.39Å; L130-F147 HydrophobicContact CD1-CD1 3.47Å; L130-F147 VanDerWaalsContact CD1-CD1 3.47Å; L130-F147 HydrophobicContact CD1-CE1 3.29Å; L130-F147 HydrophobicContact CD1-CG 4.46Å; L130-F147 HydrophobicContact CD1-CZ 4.18Å; L130-F147 HydrophobicContact CD2-CB 4.1Å; L130-F147 HydrophobicContact CD2-CD1 3.54Å; L130-F147 HydrophobicContact CD2-CD2 4.3Å; L130-F147 HydrophobicContact CD2-CE1 3.98Å; L130-F147 HydrophobicContact CD2-CG 3.71Å; L130-F147 HydrophobicContact CG-CD1 3.96Å; L130-F147 HydrophobicContact CG-CE1 4.21Å; C143-F147 WeakPolarHBondContact O-CA 3.38Å; C143-F147 PolarHBondContact O-N 3.11Å; R144-F147 WeakPolarHBondContact O-CE1 3.31Å
148Q89.8Confident85.3Confident80 Ų8061.2 Ų61.237%0.37431%0.305SS..  trans-84.4160.2167.5-68.597.640.800112.6V142 C143 C146 H152V142-Q148 CarbonylContact C-O 3.59Å; V142-Q148 WeakPolarHBondContact CA-O 3.46Å; V142-Q148 WeakPolarHBondContact CB-O 3.32Å; C143-Q148 PolarHBondContact N-O 3.04Å; C146-Q148 VanDerWaalsContact O-CD 3.32Å; C146-Q148 PolarHBondContact O-N 2.89Å; C146-Q148 PolarHBondContact O-NE2 3.48Å; C146-Q148 PolarHBondContact SG-OE1 2.81Å; Q148-H152 HydrophobicContact CB-CB 4.14Å
149G87.1Confident87.2Confident1 Ų154.1 Ų54.11%0.0128%0.275CS..  trans-87.6-162.7179.100000113.6E151 H169G149-E151 WeakPolarHBondContact CA-OE1 3.44Å; G149-E151 WeakPolarHBondContact CA-OE2 3.15Å; G149-E151 PolarHBondContact N-OE1 3.17Å; G149-E151 PolarHBondContact O-N 3.25Å; G149-H169 PolarHBondContact O-CE1 3.4Å; G149-H169 PolarHBondContact O-NE2 3.31Å
150P83.8Confident88.4Confident69 Ų6952.4 Ų52.445%0.44827%0.268SS..G310 helixtrans-68.8-15.8-178.227.3-34.4000114.2H152 G153 L155P150-H152 PolarHBondContact O-N 2.83Å; P150-G153 CarbonylContact C-O 3.57Å; P150-G153 WeakPolarHBondContact CA-O 3.42Å; P150-G153 CarbonylContact O-C 3.59Å; P150-G153 PolarHBondContact O-N 3.18Å; P150-G153 VanDerWaalsContact O-O 3.05Å; P150-L155 HydrophobicContact CB-CD1 3.59Å; P150-L155 HydrophobicContact CG-CD1 4.35Å
151E80.9Confident89.2Confident130 Ų13051.7 Ų51.761%0.60726%0.264SS*.G310 helixtrans-64.6-19.7178.569.9-60.3140.600113.7G149G149-E151 WeakPolarHBondContact CA-OE1 3.44Å; G149-E151 WeakPolarHBondContact CA-OE2 3.15Å; G149-E151 PolarHBondContact N-OE1 3.17Å; G149-E151 PolarHBondContact O-N 3.25Å
152H77.1Confident89.4Confident124 Ų12453 Ų5357%0.57428%0.275SS*.G310 helixtrans-94.60.9174-70.481.7000114Q148 P150Q148-H152 HydrophobicContact CB-CB 4.14Å; P150-H152 PolarHBondContact O-N 2.83Å
153G81.9Confident89.2Confident29 Ų2954.8 Ų54.830%0.29930%0.295SS..SBendtrans144166.6177.400000113.4P150 L155 H169P150-G153 CarbonylContact C-O 3.57Å; P150-G153 WeakPolarHBondContact CA-O 3.42Å; P150-G153 CarbonylContact O-C 3.59Å; P150-G153 PolarHBondContact O-N 3.18Å; P150-G153 VanDerWaalsContact O-O 3.05Å; G153-L155 PolarHBondContact O-N 3.43Å; G153-H169 PolarHBondContact O-CD2 3.16Å; G153-H169 PolarHBondContact O-NE2 3.46Å
154E86.4Confident88.7Confident144 Ų14456.5 Ų56.567%0.67331%0.306SS*.  trans-60.9128.1176.3-170-177.9176.600111
155L91.3Very high88.5Confident32 Ų3257.6 Ų57.617%0.16832%0.318CS..EExtended strand (participates in β ladder)trans-86.6129.6170.9-66.9103.4000110.2C143 P150 G153 C167C143-L155 HydrophobicContact CB-CD2 4.15Å; P150-L155 HydrophobicContact CB-CD1 3.59Å; P150-L155 HydrophobicContact CG-CD1 4.35Å; G153-L155 PolarHBondContact O-N 3.43Å; L155-C167 HydrophobicContact CD2-CB 3.78Å
156L92.1Very high88.4Confident6 Ų661.1 Ų61.13%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-119.4153.7176.142.476.7000110.8P158 T168 Q170 V294 N296L156-P158 HydrophobicContact CD1-CB 4.31Å; L156-P158 HydrophobicContact CD1-CG 4.43Å; L156-P158 VanDerWaalsContact O-CD 3.28Å; L156-P158 WeakPolarHBondContact O-CD 3.46Å; L156-T168 VanDerWaalsContact CD1-O 3.31Å; L156-T168 WeakPolarHBondContact CD1-O 3.47Å; L156-T168 WeakPolarHBondContact CG-O 3.47Å; L156-T168 PolarHBondContact N-O 3.38Å; L156-T168 PolarHBondContact O-N 3.07Å; L156-T168 PolarHBondContact O-OG1 3.42Å; L156-Q170 HydrophobicContact CD2-CB 3.84Å; L156-Q170 HydrophobicContact CD2-CG 4.21Å; L156-V294 HydrophobicContact CD1-CB 4.25Å; L156-V294 HydrophobicContact CD1-CG1 3.95Å; L156-V294 HydrophobicContact CD2-CB 3.97Å; L156-V294 HydrophobicContact CD2-CG1 4.4Å; L156-N296 VanDerWaalsContact CA-OD1 3.25Å; L156-N296 WeakPolarHBondContact CA-OD1 3.23Å; L156-N296 VanDerWaalsContact CB-OD1 3.25Å; L156-N296 WeakPolarHBondContact CB-OD1 3.23Å
157S92.9Very high88.4Confident31 Ų3160.4 Ų60.422%0.21732%0.323CS..  trans-108.183.6179.2-62.30000109C159 R166 N296 Y297S157-C159 PolarHBondContact O-N 3.46Å; S157-R166 WeakPolarHBondContact CA-O 3.37Å; S157-N296 PolarHBondContact N-OD1 3.18Å; S157-Y297 WeakPolarHBondContact O-CB 3.35Å; S157-Y297 PolarHBondContact O-N 3.42Å
158P93.5Very high88.5Confident3 Ų355.2 Ų55.22%0.01930%0.3CS..  trans-82.93.6-167.337.9-42000113.6L156 R166 T168 L173 Y192 V294L156-P158 HydrophobicContact CD1-CB 4.31Å; L156-P158 HydrophobicContact CD1-CG 4.43Å; L156-P158 VanDerWaalsContact O-CD 3.28Å; L156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-R166 WeakPolarHBondContact CD-O 3.45Å; P158-T168 VanDerWaalsContact CD-OG1 3.3Å; P158-T168 WeakPolarHBondContact CD-OG1 3.37Å; P158-T168 WeakPolarHBondContact CG-OG1 3.46Å; P158-L173 HydrophobicContact CB-CD2 3.55Å; P158-L173 HydrophobicContact CG-CD1 4.17Å; P158-L173 HydrophobicContact CG-CD2 3.65Å; P158-Y192 HydrophobicContact CB-CD1 3.86Å; P158-Y192 HydrophobicContact CB-CE1 4.22Å; P158-Y192 HydrophobicContact CG-CD1 4.07Å; P158-Y192 HydrophobicContact CG-CE1 3.9Å; P158-V294 HydrophobicContact CB-CG1 3.67Å
159C94Very high88.7Confident4 Ų451.6 Ų51.63%0.02728%0.283CS..SBendtrans-157.1175.4-172.969.50000112.5S157 C161 C185 Y190 Y192S157-C159 PolarHBondContact O-N 3.46Å; C159-C161 PolarHBondContact O-N 3.18Å; C159-C185 HydrophobicContact CB-CB 3.97Å; C159-Y190 HydrophobicContact CB-CD1 4.06Å; C159-Y192 HydrophobicContact CB-CD1 4.36Å; C159-Y192 HydrophobicContact CB-CE1 3.98Å
160R92.6Very high88.9Confident116 Ų11654.4 Ų54.444%0.43830%0.296SS..SBendtrans-74.12.6-174.1-60.4176-177.2-142.416.4116.2C188 Y190 Y297 D302R160-C188 HydrophobicContact CB-CB 4.26Å; R160-Y190 HydrophobicContact CG-CD2 4.1Å; R160-Y190 HydrophobicContact CG-CG 4.04Å; R160-Y297 HydrophobicContact CB-CE1 4.42Å; R160-Y297 HydrophobicContact CG-CD1 4.24Å; R160-Y297 HydrophobicContact CG-CD2 4.24Å; R160-Y297 HydrophobicContact CG-CE1 3.8Å; R160-Y297 HydrophobicContact CG-CE2 3.79Å; R160-Y297 HydrophobicContact CG-CG 4.45Å; R160-D302 IonicContact CZ-OD1 3.7Å; R160-D302 IonicContact CZ-OD2 3.09Å; R160-D302 IonicContact NE-OD1 3.81Å; R160-D302 IonicContact NH1-OD1 3.84Å; R160-D302 IonicContact NH1-OD2 3.66Å; R160-D302 PolarHBondContact NH1-OD2 3.43Å; R160-D302 IonicContact NH2-OD1 2.78Å; R160-D302 PolarHBondContact NH2-OD1 3.42Å; R160-D302 IonicContact NH2-OD2 2.61Å; R160-D302 PolarHBondContact NH2-OD2 3.27Å
161C92.4Very high89.3Confident18 Ų1855.3 Ų55.312%0.12230%0.302CS..  trans-65.5152.4-177.9-61.10000111.3C159 V165 R166C159-C161 PolarHBondContact O-N 3.18Å; C161-V165 HydrophobicContact CB-CG2 4.11Å; C161-R166 HydrophobicContact CB-CB 4.07Å; C161-R166 WeakPolarHBondContact O-CB 3.41Å
162S88.6Confident89.9Confident97 Ų9750.4 Ų50.468%0.67828%0.282SS*.  trans-102171.9175.254.40000111.4V165S162-V165 WeakPolarHBondContact O-CG2 2.96Å
163G86.4Confident90.7Very high43 Ų4344.5 Ų44.544%0.44325%0.254SS..SBendtrans64.1-149.1175.500000114.4R166G163-R166 WeakPolarHBondContact O-CG 3.35Å
164S83.5Confident91.1Very high35 Ų3545.4 Ų45.425%0.24525%0.252CS..G310 helixtrans-68.5-35.1-179.950.10000113.1S129 R166 C167S129-S164 PolarHBondContact OG-OG 3.33Å; S164-R166 PolarHBondContact O-N 2.73Å; S164-C167 PolarHBondContact O-N 2.75Å; S164-C167 VanDerWaalsContact O-N 3.11Å
165V87.6Confident91.4Very high64 Ų6444.9 Ų44.939%0.38825%0.247SC..G310 helixtrans-68.6-3.3-175.9-63.50000115.1R144 C161 S162 L187R144-V165 WeakPolarHBondContact CD-O 3.34Å; C161-V165 HydrophobicContact CB-CG2 4.11Å; S162-V165 WeakPolarHBondContact O-CG2 2.96Å; V165-L187 HydrophobicContact CB-CD1 4.39Å; V165-L187 HydrophobicContact CG2-CD1 4.44Å
166R91.1Very high91.5Very high121 Ų12146.4 Ų46.446%0.45725%0.251SS..G310 helixtrans-84.3-24.3171.981.1-169.9169.5158.2-0.1113.3S157 P158 C161 G163 S164S157-R166 WeakPolarHBondContact CA-O 3.37Å; P158-R166 WeakPolarHBondContact CD-O 3.45Å; C161-R166 HydrophobicContact CB-CB 4.07Å; C161-R166 WeakPolarHBondContact O-CB 3.41Å; G163-R166 WeakPolarHBondContact O-CG 3.35Å; S164-R166 PolarHBondContact O-N 2.73Å
167C91.8Very high91.6Very high12 Ų1246.4 Ų46.48%0.08125%0.251CS..  trans-85.2127.4-169.7-63.30000111.3V142 C143 R144 L155 S164V142-C167 WeakPolarHBondContact O-CB 3.19Å; C143-C167 WeakPolarHBondContact CA-O 3.17Å; R144-C167 PolarHBondContact N-O 3.25Å; L155-C167 HydrophobicContact CD2-CB 3.78Å; S164-C167 PolarHBondContact O-N 2.75Å; S164-C167 VanDerWaalsContact O-N 3.11Å
168T93.9Very high91.4Very high1 Ų149.7 Ų49.71%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-145144.8177.843.90000111.1R144 I145 L156 P158 L173R144-T168 HydrophobicContact CG-CG2 3.66Å; I145-T168 HydrophobicContact CD1-CG2 3.66Å; I145-T168 HydrophobicContact CG1-CG2 4.08Å; L156-T168 VanDerWaalsContact CD1-O 3.31Å; L156-T168 WeakPolarHBondContact CD1-O 3.47Å; L156-T168 WeakPolarHBondContact CG-O 3.47Å; L156-T168 PolarHBondContact N-O 3.38Å; L156-T168 PolarHBondContact O-N 3.07Å; L156-T168 PolarHBondContact O-OG1 3.42Å; P158-T168 VanDerWaalsContact CD-OG1 3.3Å; P158-T168 WeakPolarHBondContact CD-OG1 3.37Å; P158-T168 WeakPolarHBondContact CG-OG1 3.46Å; T168-L173 HydrophobicContact CG2-CD1 4.35Å
169H94.1Very high91.4Very high3 Ų355.5 Ų55.51%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-72.8147164.5-55.3118.7000110.9C143 C146 G149 G153 P171 C172 L173C143-H169 VanDerWaalsContact CB-CE1 3.41Å; C143-H169 WeakPolarHBondContact CB-CE1 3.35Å; C143-H169 VanDerWaalsContact CB-ND1 3.27Å; C143-H169 WeakPolarHBondContact CB-ND1 3.34Å; C143-H169 PolarHBondContact SG-N 3.5Å; C143-H169 PolarHBondContact SG-ND1 2.98Å; C146-H169 PolarHBondContact SG-ND1 3.36Å; C146-H169 VanDerWaalsContact SG-ND1 3.38Å; G149-H169 PolarHBondContact O-CE1 3.4Å; G149-H169 PolarHBondContact O-NE2 3.31Å; G153-H169 PolarHBondContact O-CD2 3.16Å; G153-H169 PolarHBondContact O-NE2 3.46Å; H169-P171 HydrophobicContact CB-CG 4.22Å; H169-C172 HydrophobicContact CB-CB 4.17Å; H169-C172 PolarHBondContact O-N 3.3Å; H169-L173 PolarHBondContact O-N 3.3Å
170Q91.8Very high91.4Very high61 Ų6162.5 Ų62.529%0.28533%0.327SS..Hα-helixtrans-50.8-52.8173.9-166.3174.3-56.100114L156 C172 L173 I174 W292 V294L156-Q170 HydrophobicContact CD2-CB 3.84Å; L156-Q170 HydrophobicContact CD2-CG 4.21Å; Q170-C172 PolarHBondContact O-N 3.09Å; Q170-L173 PolarHBondContact O-N 3.48Å; Q170-I174 WeakPolarHBondContact O-CG1 3.39Å; Q170-I174 PolarHBondContact O-N 2.93Å; Q170-I174 VanDerWaalsContact O-N 3.12Å; Q170-W292 PolarHBondContact NE2-O 2.72Å; Q170-V294 HydrophobicContact CG-CB 4.35Å; Q170-V294 HydrophobicContact CG-CG2 3.97Å
171P91.2Very high91.4Very high88 Ų8860 Ų6057%0.57134%0.336SS*.Hα-helixtrans-63.3-39.4179.224.2-35.5000113H169 L173 I174 K175H169-P171 HydrophobicContact CB-CG 4.22Å; P171-L173 PolarHBondContact O-N 2.94Å; P171-I174 PolarHBondContact O-N 3.25Å; P171-K175 WeakPolarHBondContact O-CB 3.29Å; P171-K175 PolarHBondContact O-N 3.22Å
172C93.1Very high91.4Very high27 Ų2761.6 Ų61.618%0.18235%0.348CS..Hα-helixtrans-62.9-42.5178.4-62.30000111.8I145 H169 Q170 K175 W176I145-C172 HydrophobicContact CB-CB 4.12Å; I145-C172 HydrophobicContact CD1-CB 3.92Å; I145-C172 HydrophobicContact CG2-CB 4.16Å; H169-C172 HydrophobicContact CB-CB 4.17Å; H169-C172 PolarHBondContact O-N 3.3Å; Q170-C172 PolarHBondContact O-N 3.09Å; C172-K175 PolarHBondContact O-N 3.43Å; C172-W176 WeakPolarHBondContact O-CB 3.29Å; C172-W176 PolarHBondContact O-N 3.46Å
173L93.7Very high91.6Very high0 Ų063.2 Ų63.20%034%0.339CS..Hα-helixtrans-67.4-43.5177.9-171.575.3000112.1P158 T168 H169 Q170 P171 K175 W176 I177 Y192 V294P158-L173 HydrophobicContact CB-CD2 3.55Å; P158-L173 HydrophobicContact CG-CD1 4.17Å; P158-L173 HydrophobicContact CG-CD2 3.65Å; T168-L173 HydrophobicContact CG2-CD1 4.35Å; H169-L173 PolarHBondContact O-N 3.3Å; Q170-L173 PolarHBondContact O-N 3.48Å; P171-L173 PolarHBondContact O-N 2.94Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 3.5Å; L173-W176 WeakPolarHBondContact O-CB 3.48Å; L173-W176 PolarHBondContact O-N 3.23Å; L173-I177 HydrophobicContact CD2-CD1 4.25Å; L173-I177 HydrophobicContact CG-CD1 3.96Å; L173-I177 HydrophobicContact CG-CG1 4.43Å; L173-I177 VanDerWaalsContact O-CG1 3.32Å; L173-I177 WeakPolarHBondContact O-CG1 3.37Å; L173-I177 PolarHBondContact O-N 2.91Å; L173-Y192 HydrophobicContact CD1-CD1 4.45Å; L173-Y192 HydrophobicContact CD1-CE1 3.93Å; L173-Y192 HydrophobicContact CD1-CE2 4.13Å; L173-Y192 HydrophobicContact CD2-CD1 4.16Å; L173-Y192 HydrophobicContact CD2-CE1 4.41Å; L173-Y192 HydrophobicContact CD2-CG 4.34Å; L173-V294 HydrophobicContact CD2-CB 4.36Å; L173-V294 HydrophobicContact CD2-CG1 3.55Å; L173-V294 HydrophobicContact CD2-CG2 3.93Å
174I91.3Very high92Very high48 Ų4862.6 Ų62.625%0.24633%0.33CS..Hα-helixtrans-62.1-41.6177.8-65.4-64.2000110.8Q170 P171 I177 S178 V194 W292 V294Q170-I174 WeakPolarHBondContact O-CG1 3.39Å; Q170-I174 PolarHBondContact O-N 2.93Å; Q170-I174 VanDerWaalsContact O-N 3.12Å; P171-I174 PolarHBondContact O-N 3.25Å; I174-I177 PolarHBondContact O-N 3.49Å; I174-S178 WeakPolarHBondContact O-CB 3.32Å; I174-S178 PolarHBondContact O-N 2.89Å; I174-V194 HydrophobicContact CD1-CG1 3.77Å; I174-V194 HydrophobicContact CD1-CG2 4.33Å; I174-W292 HydrophobicContact CD1-CB 4.3Å; I174-V294 HydrophobicContact CD1-CG2 3.74Å; I174-V294 HydrophobicContact CG1-CG2 4.06Å
175K92Very high92.5Very high132 Ų13261 Ų6157%0.57432%0.319SS*.Hα-helixtrans-60.4-47.6173-178.6170.5175.9173.70111.6P171 C172 L173 I177 S178 E179P171-K175 WeakPolarHBondContact O-CB 3.29Å; P171-K175 PolarHBondContact O-N 3.22Å; C172-K175 PolarHBondContact O-N 3.43Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 3.5Å; K175-I177 PolarHBondContact O-N 3.45Å; K175-S178 WeakPolarHBondContact O-CB 3.18Å; K175-S178 PolarHBondContact O-N 3.32Å; K175-S178 VanDerWaalsContact O-N 3.14Å; K175-E179 WeakPolarHBondContact CE-OE1 3.27Å; K175-E179 HydrophobicContact CG-CG 4.37Å; K175-E179 IonicContact NZ-OE1 2.71Å; K175-E179 WeakPolarHBondContact O-CG 3.41Å; K175-E179 PolarHBondContact O-N 3.43Å
176W93.8Very high92.8Very high65 Ų6561.3 Ų61.325%0.24632%0.316CS..Hα-helixtrans-59-45.3177.7-172.9-106.2000113.2I145 C172 L173 S178 E179 R180 E186I145-W176 HydrophobicContact CD1-CB 3.98Å; I145-W176 HydrophobicContact CD1-CG 4.29Å; C172-W176 WeakPolarHBondContact O-CB 3.29Å; C172-W176 PolarHBondContact O-N 3.46Å; L173-W176 WeakPolarHBondContact O-CB 3.48Å; L173-W176 PolarHBondContact O-N 3.23Å; W176-S178 VanDerWaalsContact C-N 3.3Å; W176-S178 PolarHBondContact O-N 2.88Å; W176-E179 PolarHBondContact O-N 2.93Å; W176-R180 HydrophobicContact CD2-CG 4Å; W176-R180 HydrophobicContact CG-CG 4.29Å; W176-R180 HydrophobicContact CZ2-CG 4.23Å; W176-R180 VanDerWaalsContact CZ2-NE 3.28Å; W176-R180 VanDerWaalsContact O-CB 3.29Å; W176-R180 WeakPolarHBondContact O-CB 3.3Å; W176-R180 VanDerWaalsContact O-CG 3.29Å; W176-R180 WeakPolarHBondContact O-CG 3.44Å; W176-R180 PolarHBondContact O-N 2.91Å; W176-E186 WeakPolarHBondContact CZ2-OE1 3.47Å; W176-E186 VanDerWaalsContact CZ2-OE2 3.32Å; W176-E186 WeakPolarHBondContact CZ2-OE2 3.28Å; W176-E186 PolarHBondContact NE1-OE1 2.85Å; W176-E186 VanDerWaalsContact NE1-OE1 3.17Å
177I93.5Very high92.9Very high5 Ų560.3 Ų60.33%0.02632%0.319CS..Hα-helixtrans-59.5-43.1175.1-69.8166.8000110.3L173 I174 K175 G181 W183 Y192 V194L173-I177 HydrophobicContact CD2-CD1 4.25Å; L173-I177 HydrophobicContact CG-CD1 3.96Å; L173-I177 HydrophobicContact CG-CG1 4.43Å; L173-I177 VanDerWaalsContact O-CG1 3.32Å; L173-I177 WeakPolarHBondContact O-CG1 3.37Å; L173-I177 PolarHBondContact O-N 2.91Å; I174-I177 PolarHBondContact O-N 3.49Å; K175-I177 PolarHBondContact O-N 3.45Å; I177-G181 WeakPolarHBondContact O-CA 3.28Å; I177-G181 PolarHBondContact O-N 3.45Å; I177-W183 HydrophobicContact CD1-CE3 4.44Å; I177-W183 HydrophobicContact CG2-CD2 3.71Å; I177-W183 HydrophobicContact CG2-CE3 3.82Å; I177-W183 HydrophobicContact CG2-CG 4.2Å; I177-W183 HydrophobicContact CG2-CH2 4.28Å; I177-W183 HydrophobicContact CG2-CZ2 4.19Å; I177-W183 HydrophobicContact CG2-CZ3 4.1Å; I177-Y192 HydrophobicContact CD1-CD2 3.58Å; I177-Y192 HydrophobicContact CD1-CE2 4.25Å; I177-Y192 HydrophobicContact CD1-CG 4.1Å; I177-Y192 HydrophobicContact CG1-CD2 3.74Å; I177-Y192 HydrophobicContact CG1-CE2 4Å; I177-V194 HydrophobicContact CD1-CG2 4.23Å
178S90.1Very high93Very high100 Ų10061.7 Ų61.770%0.69933%0.328SS*.Hα-helixtrans-66.7-37.4178.6-169.70000113.3I174 K175 W176I174-S178 WeakPolarHBondContact O-CB 3.32Å; I174-S178 PolarHBondContact O-N 2.89Å; K175-S178 WeakPolarHBondContact O-CB 3.18Å; K175-S178 PolarHBondContact O-N 3.32Å; K175-S178 VanDerWaalsContact O-N 3.14Å; W176-S178 VanDerWaalsContact C-N 3.3Å; W176-S178 PolarHBondContact O-N 2.88Å
179E93.3Very high92.9Very high126 Ų12670.5 Ų70.559%0.58936%0.363SS*.Hα-helixtrans-78.4-36.5180-72.2173.3164.900112.4K175 W176K175-E179 WeakPolarHBondContact CE-OE1 3.27Å; K175-E179 HydrophobicContact CG-CG 4.37Å; K175-E179 IonicContact NZ-OE1 2.71Å; K175-E179 WeakPolarHBondContact O-CG 3.41Å; K175-E179 PolarHBondContact O-N 3.43Å; W176-E179 PolarHBondContact O-N 2.93Å
180R93.6Very high92.8Very high151 Ų15172.4 Ų72.457%0.5737%0.37SS*.Hα-helixtrans-83.7-19.9178.3-65.1-63.8-133.9176.49.3113.7W176 S182 E186W176-R180 HydrophobicContact CD2-CG 4Å; W176-R180 HydrophobicContact CG-CG 4.29Å; W176-R180 HydrophobicContact CZ2-CG 4.23Å; W176-R180 VanDerWaalsContact CZ2-NE 3.28Å; W176-R180 VanDerWaalsContact O-CB 3.29Å; W176-R180 WeakPolarHBondContact O-CB 3.3Å; W176-R180 VanDerWaalsContact O-CG 3.29Å; W176-R180 WeakPolarHBondContact O-CG 3.44Å; W176-R180 PolarHBondContact O-N 2.91Å; R180-S182 PolarHBondContact O-N 3.2Å; R180-E186 IonicContact CZ-OE2 3.65Å; R180-E186 IonicContact NE-OE2 2.76Å; R180-E186 IonicContact NH2-OE2 2.94Å; R180-E186 PolarHBondContact NH2-OE2 3.07Å
181G92Very high92.9Very high62 Ų6276.4 Ų76.464%0.63939%0.387SS*.  trans67.98.7-17200000114.7I177I177-G181 WeakPolarHBondContact O-CA 3.28Å; I177-G181 PolarHBondContact O-N 3.45Å
182S92.8Very high93Very high53 Ų5372.5 Ų72.537%0.37136%0.361SS..  trans-112.8127.5-176179.30000112R180 A184R180-S182 PolarHBondContact O-N 3.2Å; S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact OG-N 3.5Å; S182-A184 PolarHBondContact OG-O 2.85Å
183W93Very high92.8Very high131 Ų13175.9 Ų75.950%0.49637%0.374SS..SBendtrans-88.512.4172.5-63.284.9000113I177 K191 Y192 V194I177-W183 HydrophobicContact CD1-CE3 4.44Å; I177-W183 HydrophobicContact CG2-CD2 3.71Å; I177-W183 HydrophobicContact CG2-CE3 3.82Å; I177-W183 HydrophobicContact CG2-CG 4.2Å; I177-W183 HydrophobicContact CG2-CH2 4.28Å; I177-W183 HydrophobicContact CG2-CZ2 4.19Å; I177-W183 HydrophobicContact CG2-CZ3 4.1Å; W183-K191 CarbonylContact O-C 3.57Å; W183-K191 WeakPolarHBondContact O-CA 3.31Å; W183-Y192 WeakPolarHBondContact O-CD2 3.43Å; W183-Y192 PolarHBondContact O-N 2.86Å; W183-V194 HydrophobicContact CE3-CB 4.45Å; W183-V194 HydrophobicContact CE3-CG2 4.12Å; W183-V194 HydrophobicContact CZ3-CB 3.91Å; W183-V194 HydrophobicContact CZ3-CG1 4.27Å; W183-V194 HydrophobicContact CZ3-CG2 3.88Å
184A94Very high92.6Very high30 Ų3077.1 Ų77.125%0.24838%0.381CS..BIsolated β-bridgetrans-124.4149.5178.100000111.7S182 E186 Y190S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact OG-N 3.5Å; S182-A184 PolarHBondContact OG-O 2.85Å; A184-E186 PolarHBondContact O-N 2.83Å; A184-Y190 WeakPolarHBondContact CA-O 3.46Å
185C94.4Very high92.3Very high1 Ų178.3 Ų78.31%0.00739%0.387CS..  trans-67.6128.5177.6-175.40000111.7C159 L187 C188 Y189 Y190 Y192C159-C185 HydrophobicContact CB-CB 3.97Å; C185-L187 PolarHBondContact O-N 3.27Å; C185-L187 VanDerWaalsContact O-N 3.17Å; C185-C188 VanDerWaalsContact SG-SG 3.69Å; C185-Y189 WeakPolarHBondContact O-CA 3.25Å; C185-Y189 PolarHBondContact O-N 3.5Å; C185-Y190 PolarHBondContact N-O 3.16Å; C185-Y192 WeakPolarHBondContact CA-OH 3.38Å; C185-Y192 HydrophobicContact CB-CE1 3.84Å
186E94.4Very high91.9Very high70 Ų7074 Ų7433%0.32738%0.376SS..THydrogen-bonded Turntrans-68.3-12.2-17973-140.5119.800114.8R144 W176 R180 A184R144-E186 IonicContact CZ-OE1 3.78Å; R144-E186 IonicContact NH1-OE1 3.42Å; R144-E186 IonicContact NH2-OE1 3.53Å; R144-E186 PolarHBondContact NH2-OE1 2.9Å; W176-E186 WeakPolarHBondContact CZ2-OE1 3.47Å; W176-E186 VanDerWaalsContact CZ2-OE2 3.32Å; W176-E186 WeakPolarHBondContact CZ2-OE2 3.28Å; W176-E186 PolarHBondContact NE1-OE1 2.85Å; W176-E186 VanDerWaalsContact NE1-OE1 3.17Å; R180-E186 IonicContact CZ-OE2 3.65Å; R180-E186 IonicContact NE-OE2 2.76Å; R180-E186 IonicContact NH2-OE2 2.94Å; R180-E186 PolarHBondContact NH2-OE2 3.07Å; A184-E186 PolarHBondContact O-N 2.83Å
187L93.8Very high91.4Very high101 Ų10176.1 Ų76.153%0.52939%0.391SS..THydrogen-bonded Turntrans-101-48.2-178.5-61.9175.5000112.6V165 C185V165-L187 HydrophobicContact CB-CD1 4.39Å; V165-L187 HydrophobicContact CG2-CD1 4.44Å; C185-L187 PolarHBondContact O-N 3.27Å; C185-L187 VanDerWaalsContact O-N 3.17Å
188C92.9Very high90.6Very high40 Ų4078.7 Ų78.727%0.2741%0.41SS..THydrogen-bonded Turntrans-113.34.6-174.568.10000113.9R160 C185 Y190R160-C188 HydrophobicContact CB-CB 4.26Å; C185-C188 VanDerWaalsContact SG-SG 3.69Å; C188-Y190 PolarHBondContact O-N 2.88Å
189Y92.9Very high90.2Very high186 Ų18676.9 Ų76.973%0.72940%0.395SS*.  trans55.55.7178.8-58-77.5000116.4C185 K191C185-Y189 WeakPolarHBondContact O-CA 3.25Å; C185-Y189 PolarHBondContact O-N 3.5Å; Y189-K191 PolarHBondContact O-N 3.17Å
190Y92.4Very high89.7Confident44 Ų4473.9 Ų73.917%0.17338%0.379CS..PPolyproline II helixtrans-65131.4174.9-174.6-104.1000111.2C159 R160 A184 C185 C188 Y192 Y297C159-Y190 HydrophobicContact CB-CD1 4.06Å; R160-Y190 HydrophobicContact CG-CD2 4.1Å; R160-Y190 HydrophobicContact CG-CG 4.04Å; A184-Y190 WeakPolarHBondContact CA-O 3.46Å; C185-Y190 PolarHBondContact N-O 3.16Å; C188-Y190 PolarHBondContact O-N 2.88Å; Y190-Y192 PolarHBondContact O-N 3.18Å; Y190-Y297 HydrophobicContact CD1-CD2 4.28Å; Y190-Y297 HydrophobicContact CD2-CE2 4.47Å; Y190-Y297 AromaticContact CE1-CD2 3.65Å; Y190-Y297 HydrophobicContact CE1-CD2 3.65Å; Y190-Y297 HydrophobicContact CE1-CE2 4.45Å; Y190-Y297 HydrophobicContact CE1-CG 4.35Å; Y190-Y297 AromaticContact CE2-CD2 3.93Å; Y190-Y297 HydrophobicContact CE2-CD2 3.93Å; Y190-Y297 AromaticContact CE2-CE2 3.92Å; Y190-Y297 HydrophobicContact CE2-CE2 3.92Å; Y190-Y297 AromaticContact CZ-CD2 3.46Å; Y190-Y297 VanDerWaalsContact CZ-CD2 3.46Å; Y190-Y297 AromaticContact CZ-CE2 3.92Å
191K92.9Very high89.2Confident144 Ų14472.4 Ų72.463%0.62638%0.383SS*.BIsolated β-bridgetrans-72.4123.6177.9-172.1172.9-178.3173.40110.2W183 Y189 Q193W183-K191 CarbonylContact O-C 3.57Å; W183-K191 WeakPolarHBondContact O-CA 3.31Å; Y189-K191 PolarHBondContact O-N 3.17Å; K191-Q193 PolarHBondContact O-N 2.77Å
192Y93.1Very high88.7Confident7 Ų773.6 Ų73.63%0.02738%0.38CS..PPolyproline II helixtrans-65.5125.7179.2-61.2-56.6000110.8P158 C159 L173 I177 W183 C185 Y190 V194P158-Y192 HydrophobicContact CB-CD1 3.86Å; P158-Y192 HydrophobicContact CB-CE1 4.22Å; P158-Y192 HydrophobicContact CG-CD1 4.07Å; P158-Y192 HydrophobicContact CG-CE1 3.9Å; C159-Y192 HydrophobicContact CB-CD1 4.36Å; C159-Y192 HydrophobicContact CB-CE1 3.98Å; L173-Y192 HydrophobicContact CD1-CD1 4.45Å; L173-Y192 HydrophobicContact CD1-CE1 3.93Å; L173-Y192 HydrophobicContact CD1-CE2 4.13Å; L173-Y192 HydrophobicContact CD2-CD1 4.16Å; L173-Y192 HydrophobicContact CD2-CE1 4.41Å; L173-Y192 HydrophobicContact CD2-CG 4.34Å; I177-Y192 HydrophobicContact CD1-CD2 3.58Å; I177-Y192 HydrophobicContact CD1-CE2 4.25Å; I177-Y192 HydrophobicContact CD1-CG 4.1Å; I177-Y192 HydrophobicContact CG1-CD2 3.74Å; I177-Y192 HydrophobicContact CG1-CE2 4Å; W183-Y192 WeakPolarHBondContact O-CD2 3.43Å; W183-Y192 PolarHBondContact O-N 2.86Å; C185-Y192 WeakPolarHBondContact CA-OH 3.38Å; C185-Y192 HydrophobicContact CB-CE1 3.84Å; Y190-Y192 PolarHBondContact O-N 3.18Å; Y192-V194 PolarHBondContact O-N 2.95Å; Y192-V194 VanDerWaalsContact O-N 3.16Å
193Q89.7Confident88.2Confident98 Ų9879 Ų7946%0.45840%0.403SS..  trans-84.892.8179.5-163.566.49.200110.3K191 L295K191-Q193 PolarHBondContact O-N 2.77Å; Q193-L295 HydrophobicContact CB-CB 4.32Å; Q193-L295 HydrophobicContact CG-CB 4.46Å; Q193-L295 HydrophobicContact CG-CD1 4.14Å; Q193-L295 PolarHBondContact O-N 2.93Å
194V88.9Confident87.7Confident26 Ų2679.2 Ų79.216%0.15841%0.41CS..EExtended strand (participates in β ladder)trans-108.6121.8178.5-168.40000109.7I174 I177 W183 Y192 W292 V294I174-V194 HydrophobicContact CD1-CG1 3.77Å; I174-V194 HydrophobicContact CD1-CG2 4.33Å; I177-V194 HydrophobicContact CD1-CG2 4.23Å; W183-V194 HydrophobicContact CE3-CB 4.45Å; W183-V194 HydrophobicContact CE3-CG2 4.12Å; W183-V194 HydrophobicContact CZ3-CB 3.91Å; W183-V194 HydrophobicContact CZ3-CG1 4.27Å; W183-V194 HydrophobicContact CZ3-CG2 3.88Å; Y192-V194 PolarHBondContact O-N 2.95Å; Y192-V194 VanDerWaalsContact O-N 3.16Å; V194-W292 HydrophobicContact CG1-CB 4.05Å; V194-W292 HydrophobicContact CG1-CE3 4.09Å; V194-V294 HydrophobicContact CG2-CG2 4.22Å
195I85.8Confident87.4Confident73 Ų7383.6 Ų83.637%0.37442%0.42SS..EExtended strand (participates in β ladder)trans-112.9149.1175.866.2171000110.8W292 K293 L295I195-W292 CarbonylContact O-C 3.55Å; I195-W292 WeakPolarHBondContact O-CA 3.46Å; I195-K293 HydrophobicContact CG1-CB 4.47Å; I195-K293 PolarHBondContact N-O 3.4Å; I195-K293 PolarHBondContact O-N 2.85Å; I195-L295 HydrophobicContact CB-CD1 4.25Å; I195-L295 HydrophobicContact CD1-CD1 3.85Å; I195-L295 HydrophobicContact CG1-CD1 3.66Å; I195-L295 HydrophobicContact CG2-CD1 3.74Å
196A83.8Confident87Confident40 Ų4089.4 Ų89.433%0.33145%0.447SS..EExtended strand (participates in β ladder)trans-81.4123.4161.700000109.4Q290 W292A196-Q290 HydrophobicContact CB-CG 3.5Å; A196-Q290 VanDerWaalsContact CB-NE2 3.28Å; A196-W292 HydrophobicContact CB-CE3 4.18Å; A196-W292 HydrophobicContact CB-CZ3 4.05Å
197I81.5Confident86.5Confident110 Ų11090.5 Ų90.556%0.56447%0.468SS*.EExtended strand (participates in β ladder)trans-85.2-53.5175.1-37.5-177.8000110.9Q291 K293I197-Q291 PolarHBondContact N-O 2.85Å; I197-K293 HydrophobicContact CD1-CB 3.6Å; I197-K293 HydrophobicContact CD1-CD 3.63Å; I197-K293 HydrophobicContact CD1-CG 4.23Å; I197-K293 HydrophobicContact CG1-CB 3.6Å; I197-K293 HydrophobicContact CG1-CD 4.38Å
198S76.8Confident86.3Confident60 Ų6087.3 Ų87.342%0.4245%0.451SS..EExtended strand (participates in β ladder)trans-157.1159.5-168.7-1750000110.3Q291S198-Q291 PolarHBondContact O-N 3.43Å
199T82.6Confident86Confident62 Ų6290.4 Ų90.438%0.3847%0.473SS..EExtended strand (participates in β ladder)trans-65.8146.5155.747.20000109.7N289T199-N289 WeakPolarHBondContact CA-O 3.29Å
200K82.4Confident85.9Confident62 Ų6284.3 Ų84.327%0.2745%0.453SS..PPolyproline II helixtrans-55.3158168-67.4169.4-175.8167.40110.2Q204 W205 V288 N289 Q291K200-Q204 HydrophobicContact CB-CB 4.29Å; K200-W205 PolarHBondContact O-NE1 2.89Å; K200-V288 PolarHBondContact NZ-O 2.97Å; K200-N289 WeakPolarHBondContact CG-O 3.4Å; K200-N289 PolarHBondContact N-O 3.44Å; K200-Q291 HydrophobicContact CG-CG 3.56Å
201N83.3Confident85.9Confident120 Ų12085.8 Ų85.864%0.64247%0.467SS*.PPolyproline II helixtrans-56147168.9-73.1-42.1000110.5L203 Q204N201-L203 PolarHBondContact O-N 3.05Å; N201-L203 VanDerWaalsContact O-N 3.16Å; N201-Q204 HydrophobicContact CB-CG 4.44Å; N201-Q204 CarbonylContact O-C 3.58Å; N201-Q204 WeakPolarHBondContact O-CA 2.77Å; N201-Q204 WeakPolarHBondContact O-CB 3.25Å; N201-Q204 PolarHBondContact O-N 3.14Å
202P81.5Confident86Confident88 Ų8884.3 Ų84.357%0.57147%0.469SS*.G310 helixtrans-59.6-30.5-176.422.6-33.4000113.7Q204 W205P202-Q204 PolarHBondContact O-N 3.22Å; P202-W205 HydrophobicContact CB-CD2 4.24Å; P202-W205 HydrophobicContact CB-CE3 4.42Å; P202-W205 HydrophobicContact CB-CH2 4.36Å; P202-W205 HydrophobicContact CB-CZ2 4.17Å; P202-W205 HydrophobicContact CB-CZ3 4.48Å; P202-W205 PolarHBondContact O-N 2.93Å
203L81.4Confident85.9Confident165 Ų16589.7 Ų89.786%0.86450%0.497SS*.G310 helixtrans-69.6-7.7173.7-61.2171.6000114.2N201N201-L203 PolarHBondContact O-N 3.05Å; N201-L203 VanDerWaalsContact O-N 3.16Å
204Q84.4Confident86.1Confident136 Ų13685.8 Ų85.864%0.63648%0.479SS*.G310 helixtrans-120.916.7-178.1-63.2-73-67.600111K200 N201 P202 Q206K200-Q204 HydrophobicContact CB-CB 4.29Å; N201-Q204 HydrophobicContact CB-CG 4.44Å; N201-Q204 CarbonylContact O-C 3.58Å; N201-Q204 WeakPolarHBondContact O-CA 2.77Å; N201-Q204 WeakPolarHBondContact O-CB 3.25Å; N201-Q204 PolarHBondContact O-N 3.14Å; P202-Q204 PolarHBondContact O-N 3.22Å; Q204-Q206 PolarHBondContact O-N 3.45Å
205W87.3Confident86.3Confident122 Ų12290.5 Ų90.546%0.46250%0.497SS..PPolyproline II helixtrans-77.7122177.6-73.2-2.3000111.1K200 P202 A207 W285 N289K200-W205 PolarHBondContact O-NE1 2.89Å; P202-W205 HydrophobicContact CB-CD2 4.24Å; P202-W205 HydrophobicContact CB-CE3 4.42Å; P202-W205 HydrophobicContact CB-CH2 4.36Å; P202-W205 HydrophobicContact CB-CZ2 4.17Å; P202-W205 HydrophobicContact CB-CZ3 4.48Å; P202-W205 PolarHBondContact O-N 2.93Å; W205-A207 PolarHBondContact O-N 2.97Å; W205-W285 HydrophobicContact CD2-CH2 4.42Å; W205-W285 AromaticContact CD2-CZ2 3.65Å; W205-W285 HydrophobicContact CD2-CZ2 3.65Å; W205-W285 AromaticContact CE2-CZ2 3.79Å; W205-W285 AromaticContact CE3-CZ2 3.83Å; W205-W285 HydrophobicContact CE3-CZ2 3.83Å; W205-W285 HydrophobicContact CG-CZ2 4.13Å; W205-W285 HydrophobicContact CH2-CH2 4.35Å; W205-W285 HydrophobicContact CH2-CZ2 4.27Å; W205-W285 HydrophobicContact CZ2-CH2 4.09Å; W205-W285 HydrophobicContact CZ2-CZ2 4.12Å; W205-W285 HydrophobicContact CZ3-CZ2 4.13Å; W205-N289 VanDerWaalsContact CA-OD1 3.25Å; W205-N289 WeakPolarHBondContact CA-OD1 3.37Å
206Q85.6Confident86.7Confident124 Ų12491.4 Ų91.458%0.57951%0.507SS*.PPolyproline II helixtrans-78.8120.3172.8-160.471.7-15.100109Q204 V288 N289Q204-Q206 PolarHBondContact O-N 3.45Å; Q206-V288 HydrophobicContact CB-CG1 3.88Å; Q206-V288 HydrophobicContact CG-CG1 4.25Å; Q206-N289 PolarHBondContact N-OD1 3.47Å; Q206-N289 PolarHBondContact O-ND2 3.5Å
207A84.5Confident87.2Confident93 Ų9391.9 Ų91.977%0.76950%0.502SS*.PPolyproline II helixtrans-65.4132.9169.900000109.5W205W205-A207 PolarHBondContact O-N 2.97Å
208I89.3Confident87.7Confident34 Ų3488.7 Ų88.717%0.17449%0.485CS..PPolyproline II helixtrans-93.8147.3173.1-155.5155.7000109.5L210 R284 V288I208-L210 HydrophobicContact CG2-CD1 4.08Å; I208-L210 HydrophobicContact CG2-CG 4.25Å; I208-L210 WeakPolarHBondContact O-CD1 3.47Å; I208-L210 PolarHBondContact O-N 3.42Å; I208-R284 HydrophobicContact CD1-CB 4.22Å; I208-R284 HydrophobicContact CD1-CG 3.56Å; I208-V288 HydrophobicContact CD1-CG2 4.11Å
209S86.5Confident88.5Confident105 Ų10588 Ų8873%0.73448%0.484SS*.PPolyproline II helixtrans-65122.2169.544.60000109.2R284S209-R284 PolarHBondContact O-NH2 3.43Å
210L89.7Confident89.1Confident57 Ų5787.5 Ų87.530%0.29849%0.486SS..  trans-108.6136.3170.9-67.2107000109.7I208 E214 K215 I218 I281I208-L210 HydrophobicContact CG2-CD1 4.08Å; I208-L210 HydrophobicContact CG2-CG 4.25Å; I208-L210 WeakPolarHBondContact O-CD1 3.47Å; I208-L210 PolarHBondContact O-N 3.42Å; L210-E214 WeakPolarHBondContact CA-OE2 3.43Å; L210-E214 HydrophobicContact CB-CB 4.36Å; L210-E214 HydrophobicContact CD2-CB 4.2Å; L210-K215 HydrophobicContact CB-CG 3.92Å; L210-K215 WeakPolarHBondContact O-CE 3.41Å; L210-I218 HydrophobicContact CD2-CD1 3.39Å; L210-I281 HydrophobicContact CD2-CG1 4.47Å; L210-I281 HydrophobicContact CD2-CG2 3.71Å
211T93.4Very high89.6Confident76 Ų7685.4 Ų85.447%0.46648%0.48SS..  trans-69.3161.5171.377.50000110.7I213 E214 K215T211-I213 PolarHBondContact O-N 3.26Å; T211-E214 PolarHBondContact N-OE2 3.12Å; T211-E214 PolarHBondContact O-N 2.85Å; T211-E214 WeakPolarHBondContact OG1-CG 3.38Å; T211-E214 PolarHBondContact OG1-N 3.44Å; T211-K215 WeakPolarHBondContact O-CG 3.41Å; T211-K215 PolarHBondContact O-N 3.49Å
212V93.9Very high90.2Very high112 Ų11284.2 Ų84.268%0.67947%0.472SS*.Hα-helixtrans-58.8-38.3177.1-178.70000111.1K215 V216V212-K215 PolarHBondContact O-N 3.39Å; V212-V216 WeakPolarHBondContact O-CG2 3.43Å; V212-V216 PolarHBondContact O-N 3.01Å
213I92.5Very high90.8Very high120 Ų12085.7 Ų85.762%0.61548%0.475SS*.Hα-helixtrans-63.8-47.2178.3-58166.9000110.5T211 K215 V216 Q217T211-I213 PolarHBondContact O-N 3.26Å; I213-K215 VanDerWaalsContact C-N 3.29Å; I213-K215 PolarHBondContact O-N 3.46Å; I213-V216 PolarHBondContact O-N 3.05Å; I213-Q217 WeakPolarHBondContact O-CG 3.39Å; I213-Q217 PolarHBondContact O-N 3.38Å
214E92.9Very high91.5Very high17 Ų1778.7 Ų78.78%0.07944%0.442CS..Hα-helixtrans-59.9-39.4177.1-66.3178.8142.400111.6L210 T211 Q217 I218 I281 R284L210-E214 WeakPolarHBondContact CA-OE2 3.43Å; L210-E214 HydrophobicContact CB-CB 4.36Å; L210-E214 HydrophobicContact CD2-CB 4.2Å; T211-E214 PolarHBondContact N-OE2 3.12Å; T211-E214 PolarHBondContact O-N 2.85Å; T211-E214 WeakPolarHBondContact OG1-CG 3.38Å; T211-E214 PolarHBondContact OG1-N 3.44Å; E214-Q217 PolarHBondContact O-N 2.89Å; E214-I218 WeakPolarHBondContact O-CD1 3.38Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.19Å; E214-I218 PolarHBondContact O-N 3.45Å; E214-I281 HydrophobicContact CB-CD1 4.29Å; E214-I281 HydrophobicContact CB-CG1 4.16Å; E214-I281 HydrophobicContact CG-CD1 3.88Å; E214-I281 HydrophobicContact CG-CG1 4.03Å; E214-R284 IonicContact OE1-CZ 3.76Å; E214-R284 IonicContact OE1-NH1 3.64Å; E214-R284 PolarHBondContact OE1-NH1 3.4Å; E214-R284 IonicContact OE1-NH2 2.89Å; E214-R284 PolarHBondContact OE1-NH2 3.16Å; E214-R284 IonicContact OE2-CZ 3.62Å; E214-R284 IonicContact OE2-NH1 3.59Å; E214-R284 IonicContact OE2-NH2 2.79Å; E214-R284 PolarHBondContact OE2-NH2 3.07Å
215K93Very high92Very high124 Ų12474.4 Ų74.454%0.53943%0.428SS..Hα-helixtrans-64-44176.1-68.5175.1-176.9-177.50112.3L210 T211 V212 I213 I218 A219L210-K215 HydrophobicContact CB-CG 3.92Å; L210-K215 WeakPolarHBondContact O-CE 3.41Å; T211-K215 WeakPolarHBondContact O-CG 3.41Å; T211-K215 PolarHBondContact O-N 3.49Å; V212-K215 PolarHBondContact O-N 3.39Å; I213-K215 VanDerWaalsContact C-N 3.29Å; I213-K215 PolarHBondContact O-N 3.46Å; K215-I218 PolarHBondContact O-N 3.44Å; K215-A219 WeakPolarHBondContact O-CB 3.38Å; K215-A219 PolarHBondContact O-N 3.3Å
216V95.1Very high92.4Very high93 Ų9373.9 Ų73.956%0.56443%0.433SS*.Hα-helixtrans-64.7-42.5178172.40000110.9V212 I213 I218 A219 A220V212-V216 WeakPolarHBondContact O-CG2 3.43Å; V212-V216 PolarHBondContact O-N 3.01Å; I213-V216 PolarHBondContact O-N 3.05Å; V216-I218 PolarHBondContact O-N 2.82Å; V216-A219 PolarHBondContact O-N 2.87Å; V216-A220 WeakPolarHBondContact O-CB 3.42Å; V216-A220 PolarHBondContact O-N 2.99Å
217Q93.4Very high92.9Very high50 Ų5072.5 Ų72.523%0.23443%0.426CS..Hα-helixtrans-61.4-42.6176.1-72.1179.2-36.600112.4I213 E214 A220 A221 S277I213-Q217 WeakPolarHBondContact O-CG 3.39Å; I213-Q217 PolarHBondContact O-N 3.38Å; E214-Q217 PolarHBondContact O-N 2.89Å; Q217-A220 PolarHBondContact O-N 3.35Å; Q217-A221 WeakPolarHBondContact O-CB 3.46Å; Q217-A221 PolarHBondContact O-N 3.31Å; Q217-S277 PolarHBondContact OE1-OG 3.23Å
218I92.8Very high93.5Very high42 Ų4269.1 Ų69.122%0.21539%0.394CS..Hα-helixtrans-65.5-44175.8-68.6162.6000111L210 E214 K215 V216 A220 A221 I222 V278 I281L210-I218 HydrophobicContact CD2-CD1 3.39Å; E214-I218 WeakPolarHBondContact O-CD1 3.38Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.19Å; E214-I218 PolarHBondContact O-N 3.45Å; K215-I218 PolarHBondContact O-N 3.44Å; V216-I218 PolarHBondContact O-N 2.82Å; I218-A220 PolarHBondContact O-N 3.03Å; I218-A221 PolarHBondContact O-N 3.49Å; I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.4Å; I218-I222 WeakPolarHBondContact O-CB 3.36Å; I218-I222 VanDerWaalsContact O-CG1 3.27Å; I218-I222 WeakPolarHBondContact O-CG1 3.49Å; I218-I222 PolarHBondContact O-N 3.34Å; I218-V278 HydrophobicContact CG1-CG1 4.31Å; I218-V278 HydrophobicContact CG1-CG2 4.11Å; I218-I281 HydrophobicContact CD1-CG2 4.06Å
219A93.7Very high93.9Very high47 Ų4772.8 Ų72.839%0.38841%0.412SS..Hα-helixtrans-61.5-44.3177.100000111.8K215 V216 I222 L223K215-A219 WeakPolarHBondContact O-CB 3.38Å; K215-A219 PolarHBondContact O-N 3.3Å; V216-A219 PolarHBondContact O-N 2.87Å; A219-I222 PolarHBondContact O-N 3.3Å; A219-L223 WeakPolarHBondContact O-CB 3.44Å; A219-L223 VanDerWaalsContact O-CG 3.26Å; A219-L223 WeakPolarHBondContact O-CG 3.09Å; A219-L223 PolarHBondContact O-N 2.85Å
220A93.6Very high94.4Very high51 Ų5170.7 Ų70.742%0.42140%0.401SS..Hα-helixtrans-61.5-45.6176.100000112V216 Q217 I218 I222 L223 G224V216-A220 WeakPolarHBondContact O-CB 3.42Å; V216-A220 PolarHBondContact O-N 2.99Å; Q217-A220 PolarHBondContact O-N 3.35Å; I218-A220 PolarHBondContact O-N 3.03Å; A220-I222 PolarHBondContact O-N 3.22Å; A220-L223 PolarHBondContact O-N 3.16Å; A220-G224 PolarHBondContact O-N 3.32Å
221A94.8Very high94.7Very high17 Ų1768.3 Ų68.314%0.1439%0.389CS..Hα-helixtrans-63.1-40.2176.900000112.6Q217 I218 S225 V278Q217-A221 WeakPolarHBondContact O-CB 3.46Å; Q217-A221 PolarHBondContact O-N 3.31Å; I218-A221 PolarHBondContact O-N 3.49Å; A221-S225 VanDerWaalsContact O-CB 3.26Å; A221-S225 WeakPolarHBondContact O-CB 3.44Å; A221-S225 PolarHBondContact O-N 3.26Å; A221-S225 PolarHBondContact O-OG 3.16Å; A221-V278 HydrophobicContact CB-CG2 3.97Å
222I94.8Very high94.8Very high95 Ų9567.9 Ų67.949%0.48738%0.384SS..Hα-helixtrans-65.6-50.5175.9-70167.7000110.6I218 A219 A220 G224 S225 L226I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.4Å; I218-I222 WeakPolarHBondContact O-CB 3.36Å; I218-I222 VanDerWaalsContact O-CG1 3.27Å; I218-I222 WeakPolarHBondContact O-CG1 3.49Å; I218-I222 PolarHBondContact O-N 3.34Å; A219-I222 PolarHBondContact O-N 3.3Å; A220-I222 PolarHBondContact O-N 3.22Å; I222-G224 PolarHBondContact O-N 3.48Å; I222-S225 PolarHBondContact O-N 2.95Å; I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 VanDerWaalsContact O-CG 3.31Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.48Å
223L94.7Very high94.9Very high119 Ų11965.9 Ų65.962%0.62337%0.374SS*.Hα-helixtrans-62.9-43.5-179.1-69.7171000111.8A219 A220 L226 F227A219-L223 WeakPolarHBondContact O-CB 3.44Å; A219-L223 VanDerWaalsContact O-CG 3.26Å; A219-L223 WeakPolarHBondContact O-CG 3.09Å; A219-L223 PolarHBondContact O-N 2.85Å; A220-L223 PolarHBondContact O-N 3.16Å; L223-L226 PolarHBondContact O-N 3.25Å; L223-F227 WeakPolarHBondContact O-CB 3.3Å; L223-F227 PolarHBondContact O-N 3.07Å
224G95Very high94.9Very high18 Ų1864.8 Ų64.819%0.18636%0.363CS..Hα-helixtrans-61.7-41.617400000112.6A220 I222 F227 L228A220-G224 PolarHBondContact O-N 3.32Å; I222-G224 PolarHBondContact O-N 3.48Å; G224-F227 PolarHBondContact O-N 3.01Å; G224-L228 VanDerWaalsContact O-CB 3.24Å; G224-L228 WeakPolarHBondContact O-CB 3.3Å; G224-L228 PolarHBondContact O-N 3.27Å
225S95.7Very high94.8Very high47 Ų4765.9 Ų65.933%0.32937%0.369SS..Hα-helixtrans-65.5-41.1176.1-59.60000112.2A221 I222 M229A221-S225 VanDerWaalsContact O-CB 3.26Å; A221-S225 WeakPolarHBondContact O-CB 3.44Å; A221-S225 PolarHBondContact O-N 3.26Å; A221-S225 PolarHBondContact O-OG 3.16Å; I222-S225 PolarHBondContact O-N 2.95Å; S225-M229 WeakPolarHBondContact O-CB 3.09Å; S225-M229 VanDerWaalsContact O-CG 3.25Å; S225-M229 WeakPolarHBondContact O-CG 3.48Å; S225-M229 PolarHBondContact O-N 3.1Å
226L96.6Very high94.8Very high111 Ų11163.4 Ų63.458%0.58136%0.364SS*.Hα-helixtrans-65.2-44.2177.5-72171.5000111.7I222 L223 M229 A230I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 VanDerWaalsContact O-CG 3.31Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.48Å; L223-L226 PolarHBondContact O-N 3.25Å; L226-M229 PolarHBondContact O-N 3.31Å; L226-A230 WeakPolarHBondContact O-CB 3.45Å; L226-A230 PolarHBondContact O-N 3Å
227F95.9Very high94.6Very high94 Ų9468.1 Ų68.141%0.41237%0.372SS..Hα-helixtrans-61.1-49.4175.4176.9-92.5000111.5L223 G224 M229 A230 S231 M263 C267L223-F227 WeakPolarHBondContact O-CB 3.3Å; L223-F227 PolarHBondContact O-N 3.07Å; G224-F227 PolarHBondContact O-N 3.01Å; F227-M229 VanDerWaalsContact C-N 3.35Å; F227-M229 PolarHBondContact O-N 3.08Å; F227-A230 PolarHBondContact O-N 3.04Å; F227-S231 WeakPolarHBondContact O-CB 3.37Å; F227-S231 PolarHBondContact O-N 3.14Å; F227-M263 HydrophobicContact CE1-CB 4.2Å; F227-M263 HydrophobicContact CZ-CB 4.44Å; F227-C267 VanDerWaalsContact CD1-SG 3.53Å
228L96.8Very high94.4Very high22 Ų2266.6 Ų66.612%0.11537%0.367CS..Hα-helixtrans-59.1-43.6177.9174.9146.5000112G224 A230 S231 I232 C267 I268 I271G224-L228 VanDerWaalsContact O-CB 3.24Å; G224-L228 WeakPolarHBondContact O-CB 3.3Å; G224-L228 PolarHBondContact O-N 3.27Å; L228-A230 PolarHBondContact O-N 3.28Å; L228-S231 PolarHBondContact O-N 3.32Å; L228-I232 HydrophobicContact CD2-CD1 3.54Å; L228-I232 HydrophobicContact CG-CD1 3.8Å; L228-I232 HydrophobicContact CG-CG1 4.45Å; L228-I232 WeakPolarHBondContact O-CB 3.37Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.46Å; L228-I232 PolarHBondContact O-N 3.41Å; L228-C267 HydrophobicContact CB-CB 4.3Å; L228-C267 HydrophobicContact CD1-CB 4.22Å; L228-I268 HydrophobicContact CD1-CD1 4.27Å; L228-I268 HydrophobicContact CD1-CG1 3.42Å; L228-I268 VanDerWaalsContact CD1-CG1 3.42Å; L228-I271 HydrophobicContact CD1-CD1 4.12Å
229M97.3Very high94Very high112 Ų11267.7 Ų67.755%0.55238%0.378SS*.Hα-helixtrans-65-38.7177.1-74.2-58.7-56.100112.2S225 L226 F227 S233S225-M229 WeakPolarHBondContact O-CB 3.09Å; S225-M229 VanDerWaalsContact O-CG 3.25Å; S225-M229 WeakPolarHBondContact O-CG 3.48Å; S225-M229 PolarHBondContact O-N 3.1Å; L226-M229 PolarHBondContact O-N 3.31Å; F227-M229 VanDerWaalsContact C-N 3.35Å; F227-M229 PolarHBondContact O-N 3.08Å; M229-S233 VanDerWaalsContact O-CB 3.23Å; M229-S233 WeakPolarHBondContact O-CB 3.49Å; M229-S233 PolarHBondContact O-N 3.49Å; M229-S233 PolarHBondContact O-OG 2.83Å
230A96.8Very high93.6Very high61 Ų6173.1 Ų73.150%0.50439%0.393SS..Hα-helixtrans-67.1-45.1175.500000111.8L226 F227 L228 S233 W234L226-A230 WeakPolarHBondContact O-CB 3.45Å; L226-A230 PolarHBondContact O-N 3Å; F227-A230 PolarHBondContact O-N 3.04Å; L228-A230 PolarHBondContact O-N 3.28Å; A230-S233 PolarHBondContact O-N 2.8Å; A230-W234 WeakPolarHBondContact O-CB 3.13Å; A230-W234 PolarHBondContact O-N 2.81Å
231S96.1Very high93.3Very high6 Ų672.2 Ų72.24%0.04238%0.383CS..Hα-helixtrans-62.6-50.9178.2-176.90000111.8F227 L228 S233 W234 L235 D264F227-S231 WeakPolarHBondContact O-CB 3.37Å; F227-S231 PolarHBondContact O-N 3.14Å; L228-S231 PolarHBondContact O-N 3.32Å; S231-S233 VanDerWaalsContact C-N 3.33Å; S231-S233 PolarHBondContact O-N 3.17Å; S231-W234 CarbonylContact O-C 3.59Å; S231-W234 WeakPolarHBondContact O-CB 2.97Å; S231-W234 PolarHBondContact O-N 3.27Å; S231-W234 VanDerWaalsContact O-N 3.11Å; S231-L235 WeakPolarHBondContact O-CG 3.22Å; S231-L235 PolarHBondContact O-N 2.95Å; S231-D264 WeakPolarHBondContact CB-OD1 3.41Å; S231-D264 VanDerWaalsContact OG-CG 3.23Å; S231-D264 PolarHBondContact OG-OD1 3.23Å; S231-D264 PolarHBondContact OG-OD2 3.36Å
232I95.5Very high92.4Very high68 Ų6876.3 Ų76.335%0.34941%0.409SS..Hα-helixtrans-59.6-42.9175-67.8174.4000111L228 W234 L235 V236L228-I232 HydrophobicContact CD2-CD1 3.54Å; L228-I232 HydrophobicContact CG-CD1 3.8Å; L228-I232 HydrophobicContact CG-CG1 4.45Å; L228-I232 WeakPolarHBondContact O-CB 3.37Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.46Å; L228-I232 PolarHBondContact O-N 3.41Å; I232-W234 VanDerWaalsContact C-N 3.29Å; I232-W234 PolarHBondContact O-N 3.15Å; I232-L235 PolarHBondContact O-N 2.66Å; I232-V236 HydrophobicContact CG2-CG2 4.15Å; I232-V236 WeakPolarHBondContact O-CB 3.25Å; I232-V236 VanDerWaalsContact O-CG2 3.23Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; I232-V236 PolarHBondContact O-N 3.42Å
233S95.1Very high91.2Very high69 Ų6977.3 Ų77.348%0.48342%0.424SS..Hα-helixtrans-61.5-39.9177.2-61.10000111.8M229 A230 S231 W237M229-S233 VanDerWaalsContact O-CB 3.23Å; M229-S233 WeakPolarHBondContact O-CB 3.49Å; M229-S233 PolarHBondContact O-N 3.49Å; M229-S233 PolarHBondContact O-OG 2.83Å; A230-S233 PolarHBondContact O-N 2.8Å; S231-S233 VanDerWaalsContact C-N 3.33Å; S231-S233 PolarHBondContact O-N 3.17Å; S233-W237 WeakPolarHBondContact O-CB 3.25Å; S233-W237 PolarHBondContact O-N 2.89Å
234W92.9Very high89.7Confident98 Ų9873 Ų7337%0.37141%0.406SS..Hα-helixtrans-66.7-46.4174.8-174.687.8000111.7A230 S231 I232 V236 W237 S238 Y257 Y260A230-W234 WeakPolarHBondContact O-CB 3.13Å; A230-W234 PolarHBondContact O-N 2.81Å; S231-W234 CarbonylContact O-C 3.59Å; S231-W234 WeakPolarHBondContact O-CB 2.97Å; S231-W234 PolarHBondContact O-N 3.27Å; S231-W234 VanDerWaalsContact O-N 3.11Å; I232-W234 VanDerWaalsContact C-N 3.29Å; I232-W234 PolarHBondContact O-N 3.15Å; W234-V236 PolarHBondContact O-N 2.71Å; W234-W237 PolarHBondContact O-N 2.82Å; W234-S238 WeakPolarHBondContact O-CA 3.39Å; W234-S238 WeakPolarHBondContact O-CB 3.41Å; W234-S238 PolarHBondContact O-N 2.91Å; W234-Y257 HydrophobicContact CH2-CD1 4.32Å; W234-Y257 AromaticContact CH2-CE1 3.93Å; W234-Y257 HydrophobicContact CH2-CE1 3.93Å; W234-Y257 AromaticContact CZ3-CD1 3.87Å; W234-Y257 HydrophobicContact CZ3-CD1 3.87Å; W234-Y257 AromaticContact CZ3-CE1 3.73Å; W234-Y257 HydrophobicContact CZ3-CE1 3.73Å; W234-Y260 HydrophobicContact CE3-CD2 4.26Å; W234-Y260 HydrophobicContact CE3-CE2 4.42Å; W234-Y260 HydrophobicContact CH2-CD2 4.37Å; W234-Y260 HydrophobicContact CH2-CE2 4.24Å; W234-Y260 AromaticContact CZ3-CD2 3.75Å; W234-Y260 HydrophobicContact CZ3-CD2 3.75Å; W234-Y260 AromaticContact CZ3-CE2 3.97Å; W234-Y260 HydrophobicContact CZ3-CE2 3.97Å; W234-Y260 HydrophobicContact CZ3-CG 4.45Å
235L92.2Very high88.4Confident40 Ų4079.6 Ų79.621%0.20943%0.425CS..Hα-helixtrans-60.4-43.2176.4-70.6175.7000112.3S231 I232 S238 S239 Y257 D264S231-L235 WeakPolarHBondContact O-CG 3.22Å; S231-L235 PolarHBondContact O-N 2.95Å; I232-L235 PolarHBondContact O-N 2.66Å; L235-S238 PolarHBondContact O-N 3.27Å; L235-S239 VanDerWaalsContact O-CB 3.29Å; L235-S239 WeakPolarHBondContact O-CB 3.34Å; L235-S239 PolarHBondContact O-N 3.2Å; L235-S239 PolarHBondContact O-OG 2.9Å; L235-Y257 HydrophobicContact CD2-CD1 3.59Å; L235-Y257 HydrophobicContact CD2-CE1 4.2Å; L235-D264 VanDerWaalsContact CD1-OD2 3.29Å; L235-D264 WeakPolarHBondContact CD1-OD2 3.45Å
236V92Very high87.1Confident72 Ų7285.9 Ų85.944%0.43644%0.442SS..Hα-helixtrans-62-54.5175.21690000110.3I232 W234 S238 S239 F240I232-V236 HydrophobicContact CG2-CG2 4.15Å; I232-V236 WeakPolarHBondContact O-CB 3.25Å; I232-V236 VanDerWaalsContact O-CG2 3.23Å; I232-V236 WeakPolarHBondContact O-CG2 3.42Å; I232-V236 PolarHBondContact O-N 3.42Å; W234-V236 PolarHBondContact O-N 2.71Å; V236-S238 VanDerWaalsContact C-N 3.31Å; V236-S238 PolarHBondContact O-N 2.93Å; V236-S239 PolarHBondContact O-N 3.23Å; V236-S239 PolarHBondContact O-OG 2.91Å; V236-F240 HydrophobicContact CG1-CD2 3.84Å; V236-F240 HydrophobicContact CG1-CE2 4.05Å; V236-F240 VanDerWaalsContact O-CD2 3.23Å; V236-F240 WeakPolarHBondContact O-CD2 3.46Å; V236-F240 PolarHBondContact O-N 3.23Å
237W91.2Very high85.6Confident191 Ų19185.5 Ų85.572%0.72344%0.437SS*.Hα-helixtrans-56.5-46.5176176.3-94.2000112.6S233 W234 S239 F240 S241S233-W237 WeakPolarHBondContact O-CB 3.25Å; S233-W237 PolarHBondContact O-N 2.89Å; W234-W237 PolarHBondContact O-N 2.82Å; W237-S239 VanDerWaalsContact C-N 3.28Å; W237-S239 PolarHBondContact O-N 3.22Å; W237-F240 PolarHBondContact O-N 3.14Å; W237-S241 WeakPolarHBondContact O-CB 3.5Å; W237-S241 PolarHBondContact O-N 2.87Å; W237-S241 VanDerWaalsContact O-N 3.1Å
238S88.1Confident84.4Confident19 Ų1983.6 Ų83.613%0.13343%0.427CS..Hα-helixtrans-69.6-22-176.8-167.80000112.5W234 L235 V236 R248 Y257W234-S238 WeakPolarHBondContact O-CA 3.39Å; W234-S238 WeakPolarHBondContact O-CB 3.41Å; W234-S238 PolarHBondContact O-N 2.91Å; L235-S238 PolarHBondContact O-N 3.27Å; V236-S238 VanDerWaalsContact C-N 3.31Å; V236-S238 PolarHBondContact O-N 2.93Å; S238-R248 PolarHBondContact O-NE 2.84Å; S238-R248 PolarHBondContact O-NH2 3.23Å; S238-Y257 PolarHBondContact O-OH 2.99Å; S238-Y257 WeakPolarHBondContact OG-CE1 3.48Å; S238-Y257 PolarHBondContact OG-OH 3.49Å
239S85.3Confident83.4Confident64 Ų6489.7 Ų89.745%0.44846%0.455SS..Hα-helixtrans-86.7-40.1172.353.80000113.1L235 V236 W237 R248L235-S239 VanDerWaalsContact O-CB 3.29Å; L235-S239 WeakPolarHBondContact O-CB 3.34Å; L235-S239 PolarHBondContact O-N 3.2Å; L235-S239 PolarHBondContact O-OG 2.9Å; V236-S239 PolarHBondContact O-N 3.23Å; V236-S239 PolarHBondContact O-OG 2.91Å; W237-S239 VanDerWaalsContact C-N 3.28Å; W237-S239 PolarHBondContact O-N 3.22Å; S239-R248 VanDerWaalsContact O-CZ 3.22Å; S239-R248 PolarHBondContact O-NH2 2.97Å
240F85.1Confident83Confident162 Ų16288.5 Ų88.571%0.71145%0.451SS*.Hα-helixtrans-83.4-23.6-174.5-75.6-69.6000115.5V236 W237 P242V236-F240 HydrophobicContact CG1-CD2 3.84Å; V236-F240 HydrophobicContact CG1-CE2 4.05Å; V236-F240 VanDerWaalsContact O-CD2 3.23Å; V236-F240 WeakPolarHBondContact O-CD2 3.46Å; V236-F240 PolarHBondContact O-N 3.23Å; W237-F240 PolarHBondContact O-N 3.14Å; F240-P242 VanDerWaalsContact O-CD 3.27Å; F240-P242 WeakPolarHBondContact O-CD 3.41Å
241S86.7Confident82.5Confident31 Ų3191.4 Ų91.422%0.21746%0.457CS..  trans-61.3117.7-174.4178.80000113.1W237 S243 R248W237-S241 WeakPolarHBondContact O-CB 3.5Å; W237-S241 PolarHBondContact O-N 2.87Å; W237-S241 VanDerWaalsContact O-N 3.1Å; S241-S243 VanDerWaalsContact C-N 3.29Å; S241-S243 PolarHBondContact O-N 3.32Å; S241-R248 VanDerWaalsContact O-CZ 3.26Å; S241-R248 PolarHBondContact O-NH1 3.5Å; S241-R248 PolarHBondContact O-NH2 2.86Å
242P76.3Confident82.1Confident103 Ų10396.7 Ų96.767%0.66948%0.484SS*.G310 helixtrans-64.4-31.5-175.4-25.336000114F240 A244 R245F240-P242 VanDerWaalsContact O-CD 3.27Å; F240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-A244 VanDerWaalsContact C-N 3.27Å; P242-A244 PolarHBondContact O-N 3.42Å; P242-R245 WeakPolarHBondContact O-CG 3.37Å; P242-R245 PolarHBondContact O-N 3Å
243S70.9Confident81.7Confident116 Ų11696.3 Ų96.381%0.81148%0.48SS*.G310 helixtrans-66.9-23.4-173.2-480000114.2S241S241-S243 VanDerWaalsContact C-N 3.29Å; S241-S243 PolarHBondContact O-N 3.32Å
244A61.7Low81.3Confident29 Ų2999 Ų9924%0.2449%0.485CS..G310 helixtrans-99.38.2-175.800000114.1P242 W246 Q247 R248P242-A244 VanDerWaalsContact C-N 3.27Å; P242-A244 PolarHBondContact O-N 3.42Å; A244-W246 VanDerWaalsContact C-N 3.28Å; A244-W246 PolarHBondContact O-N 2.8Å; A244-W246 VanDerWaalsContact O-N 3.15Å; A244-Q247 PolarHBondContact O-N 3.09Å; A244-R248 PolarHBondContact O-N 3.03Å
245R68.4Low81.3Confident156 Ų15699.5 Ų99.559%0.58949%0.494SS*.THydrogen-bonded Turntrans-58.3-32.7-169.268.3-174.4-171.4143.60.8115.4P242P242-R245 WeakPolarHBondContact O-CG 3.37Å; P242-R245 PolarHBondContact O-N 3Å
246W68.4Low81.2Confident179 Ų17999.4 Ų99.468%0.67850%0.496SS*.THydrogen-bonded Turntrans-77.1-34.6177.4-56.8116.3000112.4A244 R248 Q249A244-W246 VanDerWaalsContact C-N 3.28Å; A244-W246 PolarHBondContact O-N 2.8Å; A244-W246 VanDerWaalsContact O-N 3.15Å; W246-R248 VanDerWaalsContact C-N 3.28Å; W246-R248 PolarHBondContact O-N 2.78Å; W246-Q249 PolarHBondContact O-N 2.81Å
247Q65.3Low81.2Confident103 Ų10398.6 Ų98.648%0.48149%0.486SS..G310 helixtrans-74.6-15.8-178.5-167176.4-43.200113.1A244 Q249 F253A244-Q247 PolarHBondContact O-N 3.09Å; Q247-Q249 VanDerWaalsContact C-N 3.31Å; Q247-F253 HydrophobicContact CG-CD2 3.94Å; Q247-F253 HydrophobicContact CG-CE2 3.57Å; Q247-F253 HydrophobicContact CG-CZ 4.08Å; Q247-F253 VanDerWaalsContact O-CD2 3.29Å; Q247-F253 WeakPolarHBondContact O-CD2 3.4Å
248R70.3Confident81.3Confident55 Ų5591.8 Ų91.821%0.20848%0.475CS..G310 helixtrans-74.5-17.8175.4-69.8179.8-174.8107.614.1114.3S238 S239 S241 A244 W246 D250 Y257S238-R248 PolarHBondContact O-NE 2.84Å; S238-R248 PolarHBondContact O-NH2 3.23Å; S239-R248 VanDerWaalsContact O-CZ 3.22Å; S239-R248 PolarHBondContact O-NH2 2.97Å; S241-R248 VanDerWaalsContact O-CZ 3.26Å; S241-R248 PolarHBondContact O-NH1 3.5Å; S241-R248 PolarHBondContact O-NH2 2.86Å; A244-R248 PolarHBondContact O-N 3.03Å; W246-R248 VanDerWaalsContact C-N 3.28Å; W246-R248 PolarHBondContact O-N 2.78Å; R248-D250 VanDerWaalsContact C-N 3.34Å; R248-Y257 HydrophobicContact CG-CE2 4.45Å
249Q76.8Confident81.6Confident150 Ų15095.2 Ų95.270%0.70149%0.49SS*.G310 helixtrans-87.1-7.7179.1-71.3177.7-55.500112.5W246 Q247 L251W246-Q249 PolarHBondContact O-N 2.81Å; Q247-Q249 VanDerWaalsContact C-N 3.31Å; Q249-L251 PolarHBondContact O-N 3.04Å
250D87Confident82.1Confident87 Ų8795.9 Ų95.947%0.46548%0.483SS..SBendtrans-67.7129170.6-74-38.7000110.8R248 L252 F253 Q254R248-D250 VanDerWaalsContact C-N 3.34Å; D250-L252 PolarHBondContact O-N 3.41Å; D250-L252 VanDerWaalsContact O-N 3.08Å; D250-F253 HydrophobicContact CB-CD2 4.03Å; D250-F253 PolarHBondContact O-N 3.32Å; D250-Q254 PolarHBondContact O-N 3.27Å
251L86.9Confident82.5Confident122 Ų12289.5 Ų89.564%0.63946%0.463SS*.Hα-helixtrans-52.8-34.4-178.9-179.562.1000112.9Q249 Q254 I255Q249-L251 PolarHBondContact O-N 3.04Å; L251-Q254 PolarHBondContact O-N 3.27Å; L251-I255 HydrophobicContact CD1-CD1 4.24Å; L251-I255 HydrophobicContact CD1-CG1 4.39Å; L251-I255 HydrophobicContact CG-CD1 3.92Å; L251-I255 VanDerWaalsContact O-CG1 3.28Å; L251-I255 WeakPolarHBondContact O-CG1 3.38Å; L251-I255 PolarHBondContact O-N 3.23Å
252L87.9Confident83Confident116 Ų11694.1 Ų94.161%0.60748%0.48SS*.Hα-helixtrans-61.9-47.3177.9-167.3160.4000111.5D250 Q254 I255 C256D250-L252 PolarHBondContact O-N 3.41Å; D250-L252 VanDerWaalsContact O-N 3.08Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 3.07Å; L252-I255 PolarHBondContact O-N 3.25Å; L252-C256 PolarHBondContact O-N 3.36Å; L252-C256 PolarHBondContact O-SG 3.5Å; L252-C256 VanDerWaalsContact O-SG 3.35Å
253F86.7Confident83.9Confident61 Ų6193.1 Ų93.127%0.26847%0.467SS..Hα-helixtrans-67.5-36.2178-76.6-80.6000111.7Q247 D250 C256 Y257Q247-F253 HydrophobicContact CG-CD2 3.94Å; Q247-F253 HydrophobicContact CG-CE2 3.57Å; Q247-F253 HydrophobicContact CG-CZ 4.08Å; Q247-F253 VanDerWaalsContact O-CD2 3.29Å; Q247-F253 WeakPolarHBondContact O-CD2 3.4Å; D250-F253 HydrophobicContact CB-CD2 4.03Å; D250-F253 PolarHBondContact O-N 3.32Å; F253-C256 PolarHBondContact O-N 2.98Å; F253-Y257 HydrophobicContact CB-CE2 4.4Å; F253-Y257 WeakPolarHBondContact O-CD2 3.36Å; F253-Y257 PolarHBondContact O-N 3.32Å
254Q88Confident85.1Confident125 Ų12588 Ų8858%0.58443%0.431SS*.Hα-helixtrans-63.6-41.2174.1-169174.5-7.400112.4D250 L251 L252 Y257 G258D250-Q254 PolarHBondContact O-N 3.27Å; L251-Q254 PolarHBondContact O-N 3.27Å; L252-Q254 VanDerWaalsContact C-N 3.34Å; L252-Q254 PolarHBondContact O-N 3.07Å; Q254-Y257 PolarHBondContact O-N 3.22Å; Q254-G258 PolarHBondContact O-N 2.97Å
255I92.1Very high86.8Confident108 Ų10891.1 Ų91.155%0.55445%0.446SS*.Hα-helixtrans-63.2-43.9172.9-69.7165.2000110.7L251 L252 Y257 G258 M259L251-I255 HydrophobicContact CD1-CD1 4.24Å; L251-I255 HydrophobicContact CD1-CG1 4.39Å; L251-I255 HydrophobicContact CG-CD1 3.92Å; L251-I255 VanDerWaalsContact O-CG1 3.28Å; L251-I255 WeakPolarHBondContact O-CG1 3.38Å; L251-I255 PolarHBondContact O-N 3.23Å; L252-I255 PolarHBondContact O-N 3.25Å; I255-Y257 PolarHBondContact O-N 3.22Å; I255-G258 PolarHBondContact O-N 3.48Å; I255-M259 PolarHBondContact O-N 3.4Å
256C90.9Very high88.1Confident39 Ų3986.4 Ų86.426%0.26444%0.435SS..Hα-helixtrans-59.1-45.7175.5-70.30000112.1L252 F253 G258 M259 Y260L252-C256 PolarHBondContact O-N 3.36Å; L252-C256 PolarHBondContact O-SG 3.5Å; L252-C256 VanDerWaalsContact O-SG 3.35Å; F253-C256 PolarHBondContact O-N 2.98Å; C256-G258 VanDerWaalsContact C-N 3.34Å; C256-G258 PolarHBondContact O-N 3.04Å; C256-M259 PolarHBondContact O-N 3.47Å; C256-Y260 VanDerWaalsContact O-CD2 3.22Å; C256-Y260 WeakPolarHBondContact O-CD2 3.25Å; C256-Y260 PolarHBondContact O-N 3.25Å
257Y92.1Very high89.4Confident54 Ų5478.8 Ų78.821%0.21241%0.409CS..Hα-helixtrans-61.2-40.9176.3-67-47.1000112.4W234 L235 S238 R248 F253 Q254 I255 Y260 G261W234-Y257 HydrophobicContact CH2-CD1 4.32Å; W234-Y257 AromaticContact CH2-CE1 3.93Å; W234-Y257 HydrophobicContact CH2-CE1 3.93Å; W234-Y257 AromaticContact CZ3-CD1 3.87Å; W234-Y257 HydrophobicContact CZ3-CD1 3.87Å; W234-Y257 AromaticContact CZ3-CE1 3.73Å; W234-Y257 HydrophobicContact CZ3-CE1 3.73Å; L235-Y257 HydrophobicContact CD2-CD1 3.59Å; L235-Y257 HydrophobicContact CD2-CE1 4.2Å; S238-Y257 PolarHBondContact O-OH 2.99Å; S238-Y257 WeakPolarHBondContact OG-CE1 3.48Å; S238-Y257 PolarHBondContact OG-OH 3.49Å; R248-Y257 HydrophobicContact CG-CE2 4.45Å; F253-Y257 HydrophobicContact CB-CE2 4.4Å; F253-Y257 WeakPolarHBondContact O-CD2 3.36Å; F253-Y257 PolarHBondContact O-N 3.32Å; Q254-Y257 PolarHBondContact O-N 3.22Å; I255-Y257 PolarHBondContact O-N 3.22Å; Y257-Y260 PolarHBondContact O-N 3.06Å; Y257-G261 PolarHBondContact O-N 3.42Å
258G92.9Very high90.9Very high48 Ų4877.9 Ų77.950%0.49541%0.406SS..Hα-helixtrans-61.4-42.2174.300000112.7Q254 I255 C256 F262Q254-G258 PolarHBondContact O-N 2.97Å; I255-G258 PolarHBondContact O-N 3.48Å; C256-G258 VanDerWaalsContact C-N 3.34Å; C256-G258 PolarHBondContact O-N 3.04Å; G258-F262 WeakPolarHBondContact O-CB 3.31Å; G258-F262 PolarHBondContact O-N 3Å
259M95Very high92.2Very high91 Ų9178 Ų7845%0.44842%0.419SS..Hα-helixtrans-64.3-48.5176.1-175.5-163.172.800112.1I255 C256 F262 M263I255-M259 PolarHBondContact O-N 3.4Å; C256-M259 PolarHBondContact O-N 3.47Å; M259-F262 PolarHBondContact O-N 3.39Å; M259-M263 WeakPolarHBondContact O-CG 3.28Å; M259-M263 PolarHBondContact O-N 3.21Å
260Y94.2Very high93Very high79 Ų7975.5 Ų75.531%0.3141%0.41SS..Hα-helixtrans-62.3-44.5177.4-81.5-70.6000111.6W234 C256 Y257 F262 M263 D264W234-Y260 HydrophobicContact CE3-CD2 4.26Å; W234-Y260 HydrophobicContact CE3-CE2 4.42Å; W234-Y260 HydrophobicContact CH2-CD2 4.37Å; W234-Y260 HydrophobicContact CH2-CE2 4.24Å; W234-Y260 AromaticContact CZ3-CD2 3.75Å; W234-Y260 HydrophobicContact CZ3-CD2 3.75Å; W234-Y260 AromaticContact CZ3-CE2 3.97Å; W234-Y260 HydrophobicContact CZ3-CE2 3.97Å; W234-Y260 HydrophobicContact CZ3-CG 4.45Å; C256-Y260 VanDerWaalsContact O-CD2 3.22Å; C256-Y260 WeakPolarHBondContact O-CD2 3.25Å; C256-Y260 PolarHBondContact O-N 3.25Å; Y257-Y260 PolarHBondContact O-N 3.06Å; Y260-F262 VanDerWaalsContact C-N 3.32Å; Y260-F262 PolarHBondContact O-N 3.25Å; Y260-M263 PolarHBondContact O-N 2.9Å; Y260-D264 VanDerWaalsContact O-CG 3.3Å; Y260-D264 PolarHBondContact O-N 3.47Å
261G94.8Very high93.3Very high28 Ų2873.7 Ų73.729%0.28940%0.4SS..Hα-helixtrans-60.7-38.2175.700000113.3Y257 D264 V265Y257-G261 PolarHBondContact O-N 3.42Å; G261-D264 PolarHBondContact O-N 3.46Å; G261-V265 WeakPolarHBondContact O-CG2 3.44Å; G261-V265 PolarHBondContact O-N 2.84Å
262F96.3Very high93.8Very high128 Ų12872.6 Ų72.656%0.56140%0.398SS*.Hα-helixtrans-65.1-45172.9174.4-98.4000112.1G258 M259 Y260 D264 V265 V266G258-F262 WeakPolarHBondContact O-CB 3.31Å; G258-F262 PolarHBondContact O-N 3Å; M259-F262 PolarHBondContact O-N 3.39Å; Y260-F262 VanDerWaalsContact C-N 3.32Å; Y260-F262 PolarHBondContact O-N 3.25Å; F262-D264 VanDerWaalsContact C-N 3.32Å; F262-D264 PolarHBondContact O-N 2.94Å; F262-V265 PolarHBondContact O-N 2.88Å; F262-V266 HydrophobicContact CD1-CG2 4.4Å; F262-V266 HydrophobicContact CE1-CG2 3.91Å; F262-V266 HydrophobicContact CE2-CG2 4.26Å; F262-V266 HydrophobicContact CZ-CG2 3.83Å; F262-V266 WeakPolarHBondContact O-CG2 3.41Å; F262-V266 PolarHBondContact O-N 3.04Å
263M95.2Very high94.1Very high81 Ų8173.7 Ų73.740%0.39940%0.4SS..Hα-helixtrans-62.9-39177-67-63165.600111.7F227 M259 Y260 V266 C267F227-M263 HydrophobicContact CE1-CB 4.2Å; F227-M263 HydrophobicContact CZ-CB 4.44Å; M259-M263 WeakPolarHBondContact O-CG 3.28Å; M259-M263 PolarHBondContact O-N 3.21Å; Y260-M263 PolarHBondContact O-N 2.9Å; M263-V266 PolarHBondContact O-N 3.3Å; M263-C267 PolarHBondContact O-N 3.33Å; M263-C267 PolarHBondContact O-SG 2.92Å; M263-C267 VanDerWaalsContact O-SG 3.39Å
264D96.6Very high94.4Very high10 Ų1072.6 Ų72.65%0.05340%0.395CS..Hα-helixtrans-62.5-42.5174.3-70.6-16.4000111.6S231 L235 Y260 G261 F262 V266 C267 I268S231-D264 WeakPolarHBondContact CB-OD1 3.41Å; S231-D264 VanDerWaalsContact OG-CG 3.23Å; S231-D264 PolarHBondContact OG-OD1 3.23Å; S231-D264 PolarHBondContact OG-OD2 3.36Å; L235-D264 VanDerWaalsContact CD1-OD2 3.29Å; L235-D264 WeakPolarHBondContact CD1-OD2 3.45Å; Y260-D264 VanDerWaalsContact O-CG 3.3Å; Y260-D264 PolarHBondContact O-N 3.47Å; G261-D264 PolarHBondContact O-N 3.46Å; F262-D264 VanDerWaalsContact C-N 3.32Å; F262-D264 PolarHBondContact O-N 2.94Å; D264-V266 VanDerWaalsContact C-N 3.35Å; D264-V266 PolarHBondContact O-N 3.48Å; D264-C267 PolarHBondContact O-N 3.38Å; D264-I268 VanDerWaalsContact O-CG1 3.28Å; D264-I268 WeakPolarHBondContact O-CG1 3.46Å; D264-I268 PolarHBondContact O-N 3.35Å
265V97Very high94.7Very high93 Ų9367.9 Ų67.956%0.56438%0.381SS*.Hα-helixtrans-61.5-41.6174.6168.90000111.6G261 F262 I268 A269G261-V265 WeakPolarHBondContact O-CG2 3.44Å; G261-V265 PolarHBondContact O-N 2.84Å; F262-V265 PolarHBondContact O-N 2.88Å; V265-I268 PolarHBondContact O-N 3.16Å; V265-A269 WeakPolarHBondContact O-CB 3.41Å; V265-A269 PolarHBondContact O-N 3.05Å
266V96.1Very high94.8Very high58 Ų5866.8 Ų66.835%0.35238%0.38SS..Hα-helixtrans-63.7-43174.3174.20000110.9F262 M263 D264 A269 L270F262-V266 HydrophobicContact CD1-CG2 4.4Å; F262-V266 HydrophobicContact CE1-CG2 3.91Å; F262-V266 HydrophobicContact CE2-CG2 4.26Å; F262-V266 HydrophobicContact CZ-CG2 3.83Å; F262-V266 WeakPolarHBondContact O-CG2 3.41Å; F262-V266 PolarHBondContact O-N 3.04Å; M263-V266 PolarHBondContact O-N 3.3Å; D264-V266 VanDerWaalsContact C-N 3.35Å; D264-V266 PolarHBondContact O-N 3.48Å; V266-A269 PolarHBondContact O-N 3.03Å; V266-L270 HydrophobicContact CG1-CD1 4.24Å; V266-L270 WeakPolarHBondContact O-CG 3.22Å; V266-L270 PolarHBondContact O-N 2.87Å
267C96.4Very high94.8Very high19 Ų1965.5 Ų65.513%0.12837%0.372CS..Hα-helixtrans-63.9-39.2175.5-720000112.7F227 L228 M263 D264 L270 I271F227-C267 VanDerWaalsContact CD1-SG 3.53Å; L228-C267 HydrophobicContact CB-CB 4.3Å; L228-C267 HydrophobicContact CD1-CB 4.22Å; M263-C267 PolarHBondContact O-N 3.33Å; M263-C267 PolarHBondContact O-SG 2.92Å; M263-C267 VanDerWaalsContact O-SG 3.39Å; D264-C267 PolarHBondContact O-N 3.38Å; C267-L270 PolarHBondContact O-N 3.5Å; C267-I271 WeakPolarHBondContact O-CB 3.41Å; C267-I271 WeakPolarHBondContact O-CD1 3.38Å; C267-I271 VanDerWaalsContact O-CG1 3.22Å; C267-I271 WeakPolarHBondContact O-CG1 3.39Å; C267-I271 PolarHBondContact O-N 2.93Å
268I96.8Very high94.9Very high83 Ų8364.9 Ų64.943%0.42637%0.374SS..Hα-helixtrans-61.2-46.5172.4-67.9166.1000110.2L228 D264 V265 L270 I271 V272L228-I268 HydrophobicContact CD1-CD1 4.27Å; L228-I268 HydrophobicContact CD1-CG1 3.42Å; L228-I268 VanDerWaalsContact CD1-CG1 3.42Å; D264-I268 VanDerWaalsContact O-CG1 3.28Å; D264-I268 WeakPolarHBondContact O-CG1 3.46Å; D264-I268 PolarHBondContact O-N 3.35Å; V265-I268 PolarHBondContact O-N 3.16Å; I268-L270 VanDerWaalsContact C-N 3.34Å; I268-L270 PolarHBondContact O-N 3.3Å; I268-I271 PolarHBondContact O-N 2.94Å; I268-V272 HydrophobicContact CG2-CG2 4.22Å; I268-V272 WeakPolarHBondContact O-CB 3.47Å; I268-V272 VanDerWaalsContact O-CG2 3.31Å; I268-V272 WeakPolarHBondContact O-CG2 3.41Å; I268-V272 PolarHBondContact O-N 3.08Å
269A95.8Very high94.8Very high58 Ų5868.7 Ų68.748%0.47938%0.377SS..Hα-helixtrans-59.5-43.718000000111.9V265 V266 V272 H273V265-A269 WeakPolarHBondContact O-CB 3.41Å; V265-A269 PolarHBondContact O-N 3.05Å; V266-A269 PolarHBondContact O-N 3.03Å; A269-V272 PolarHBondContact O-N 3.3Å; A269-H273 VanDerWaalsContact O-CB 3.3Å; A269-H273 WeakPolarHBondContact O-CB 3.48Å; A269-H273 PolarHBondContact O-N 3Å
270L93.6Very high94.7Very high98 Ų9871 Ų7151%0.51338%0.381SS..Hα-helixtrans-64.4-44.6173.9-66.7171.2000112V266 C267 I268 V272 H273 E274V266-L270 HydrophobicContact CG1-CD1 4.24Å; V266-L270 WeakPolarHBondContact O-CG 3.22Å; V266-L270 PolarHBondContact O-N 2.87Å; C267-L270 PolarHBondContact O-N 3.5Å; I268-L270 VanDerWaalsContact C-N 3.34Å; I268-L270 PolarHBondContact O-N 3.3Å; L270-V272 VanDerWaalsContact C-N 3.27Å; L270-V272 PolarHBondContact O-N 3.26Å; L270-H273 PolarHBondContact O-N 3.47Å; L270-E274 WeakPolarHBondContact O-CB 3.26Å; L270-E274 PolarHBondContact O-N 3.37Å
271I95.2Very high94.6Very high48 Ų4867.8 Ų67.825%0.24637%0.368CS..Hα-helixtrans-62.2-36.5177.4-69162.5000111.4L228 C267 I268 G275L228-I271 HydrophobicContact CD1-CD1 4.12Å; C267-I271 WeakPolarHBondContact O-CB 3.41Å; C267-I271 WeakPolarHBondContact O-CD1 3.38Å; C267-I271 VanDerWaalsContact O-CG1 3.22Å; C267-I271 WeakPolarHBondContact O-CG1 3.39Å; C267-I271 PolarHBondContact O-N 2.93Å; I268-I271 PolarHBondContact O-N 2.94Å; I271-G275 VanDerWaalsContact O-CA 3.22Å; I271-G275 WeakPolarHBondContact O-CA 3.4Å; I271-G275 PolarHBondContact O-N 3.39Å
272V96.1Very high94.4Very high100 Ų10071.4 Ų71.461%0.60638%0.377SS*.Hα-helixtrans-73.3-37.6177.2171.10000112.1I268 A269 L270 P276I268-V272 HydrophobicContact CG2-CG2 4.22Å; I268-V272 WeakPolarHBondContact O-CB 3.47Å; I268-V272 VanDerWaalsContact O-CG2 3.31Å; I268-V272 WeakPolarHBondContact O-CG2 3.41Å; I268-V272 PolarHBondContact O-N 3.08Å; A269-V272 PolarHBondContact O-N 3.3Å; L270-V272 VanDerWaalsContact C-N 3.27Å; L270-V272 PolarHBondContact O-N 3.26Å; V272-P276 WeakPolarHBondContact O-CD 3.34Å
273H94.7Very high94Very high139 Ų13969.6 Ų69.664%0.64437%0.37SS*.Hα-helixtrans-73.5-44.1179.2176.5-95.9000112.5A269 L270 P276A269-H273 VanDerWaalsContact O-CB 3.3Å; A269-H273 WeakPolarHBondContact O-CB 3.48Å; A269-H273 PolarHBondContact O-N 3Å; L270-H273 PolarHBondContact O-N 3.47Å; H273-P276 WeakPolarHBondContact O-CD 3.26Å
274E93.2Very high93.8Very high37 Ų3769.9 Ų69.917%0.17337%0.366CS..Hα-helixtrans-77.9-25.2177.1-82.541.3-120.800112.8L270 S277 V278L270-E274 WeakPolarHBondContact O-CB 3.26Å; L270-E274 PolarHBondContact O-N 3.37Å; E274-S277 WeakPolarHBondContact O-CB 3.24Å; E274-S277 PolarHBondContact O-N 3.45Å; E274-V278 PolarHBondContact O-N 3.43Å
275G93Very high93.5Very high27 Ų2771.8 Ų71.828%0.27837%0.373SS..Hα-helixtrans-49.9-48.8-175.800000115.2I271 S277 V278 F279I271-G275 VanDerWaalsContact O-CA 3.22Å; I271-G275 WeakPolarHBondContact O-CA 3.4Å; I271-G275 PolarHBondContact O-N 3.39Å; G275-S277 PolarHBondContact O-N 3.22Å; G275-V278 PolarHBondContact O-N 3.48Å; G275-F279 VanDerWaalsContact O-CB 3.25Å; G275-F279 WeakPolarHBondContact O-CB 3.29Å; G275-F279 PolarHBondContact O-N 3.36Å
276P94.4Very high93Very high84 Ų8469.5 Ų69.555%0.54536%0.356SS..Hα-helixtrans-56.1-32.2175.2-28.735.3000114.2V272 H273 R280V272-P276 WeakPolarHBondContact O-CD 3.34Å; H273-P276 WeakPolarHBondContact O-CD 3.26Å; P276-R280 WeakPolarHBondContact O-CB 3.27Å; P276-R280 PolarHBondContact O-N 2.87Å
277S92.3Very high92.6Very high13 Ų1369.4 Ų69.49%0.09136%0.361CS..Hα-helixtrans-70.6-55.9174.5-155.50000110Q217 E274 G275 F279 R280 I281Q217-S277 PolarHBondContact OE1-OG 3.23Å; E274-S277 WeakPolarHBondContact O-CB 3.24Å; E274-S277 PolarHBondContact O-N 3.45Å; G275-S277 PolarHBondContact O-N 3.22Å; S277-F279 VanDerWaalsContact C-N 3.26Å; S277-F279 PolarHBondContact O-N 2.93Å; S277-R280 WeakPolarHBondContact O-CB 3Å; S277-R280 PolarHBondContact O-N 3.36Å; S277-R280 PolarHBondContact OG-NH2 2.87Å; S277-I281 WeakPolarHBondContact O-CD1 3.4Å; S277-I281 PolarHBondContact O-N 2.82Å; S277-I281 VanDerWaalsContact O-N 3.14Å
278V93.1Very high92Very high41 Ų4171.4 Ų71.425%0.24837%0.373CS..Hα-helixtrans-55.9-41-179.7179.10000111.7I218 A221 E274 G275 R280 I281 F282I218-V278 HydrophobicContact CG1-CG1 4.31Å; I218-V278 HydrophobicContact CG1-CG2 4.11Å; A221-V278 HydrophobicContact CB-CG2 3.97Å; E274-V278 PolarHBondContact O-N 3.43Å; G275-V278 PolarHBondContact O-N 3.48Å; V278-R280 PolarHBondContact O-N 2.9Å; V278-I281 PolarHBondContact O-N 3.5Å; V278-F282 PolarHBondContact O-N 2.95Å
279F92.1Very high91.6Very high128 Ų12867.4 Ų67.456%0.56135%0.352SS*.Hα-helixtrans-62.1-40.1176.5-174.5-107.4000113G275 S277 F282 H283G275-F279 VanDerWaalsContact O-CB 3.25Å; G275-F279 WeakPolarHBondContact O-CB 3.29Å; G275-F279 PolarHBondContact O-N 3.36Å; S277-F279 VanDerWaalsContact C-N 3.26Å; S277-F279 PolarHBondContact O-N 2.93Å; F279-F282 PolarHBondContact O-N 2.68Å; F279-H283 AromaticContact CD1-CD2 3.85Å; F279-H283 AromaticContact CE1-CD2 3.36Å; F279-H283 WeakPolarHBondContact CE1-CD2 3.44Å; F279-H283 AromaticContact CE1-NE2 3.44Å; F279-H283 WeakPolarHBondContact CE1-NE2 3.43Å; F279-H283 AromaticContact CE2-CD2 3.93Å; F279-H283 AromaticContact CE2-NE2 3.78Å; F279-H283 AromaticContact CZ-CD2 3.42Å; F279-H283 VanDerWaalsContact CZ-CD2 3.42Å; F279-H283 WeakPolarHBondContact CZ-CD2 3.34Å; F279-H283 AromaticContact CZ-NE2 3.09Å; F279-H283 WeakPolarHBondContact CZ-NE2 3.49Å; F279-H283 PolarHBondContact O-N 2.97Å
280R92.3Very high91.2Very high139 Ų13966.4 Ų66.453%0.52534%0.338SS..Hα-helixtrans-63.8-39.7174.4-174.7-178.664.5-108-10.6111.8P276 S277 V278 R284P276-R280 WeakPolarHBondContact O-CB 3.27Å; P276-R280 PolarHBondContact O-N 2.87Å; S277-R280 WeakPolarHBondContact O-CB 3Å; S277-R280 PolarHBondContact O-N 3.36Å; S277-R280 PolarHBondContact OG-NH2 2.87Å; V278-R280 PolarHBondContact O-N 2.9Å; R280-R284 PolarHBondContact O-N 3.05Å
281I92.1Very high90.6Very high11 Ų1166.5 Ų66.56%0.05634%0.335CS..Hα-helixtrans-65.1-44.5173.9-74.676.4000110L210 E214 I218 S277 V278 H283 R284 W285L210-I281 HydrophobicContact CD2-CG1 4.47Å; L210-I281 HydrophobicContact CD2-CG2 3.71Å; E214-I281 HydrophobicContact CB-CD1 4.29Å; E214-I281 HydrophobicContact CB-CG1 4.16Å; E214-I281 HydrophobicContact CG-CD1 3.88Å; E214-I281 HydrophobicContact CG-CG1 4.03Å; I218-I281 HydrophobicContact CD1-CG2 4.06Å; S277-I281 WeakPolarHBondContact O-CD1 3.4Å; S277-I281 PolarHBondContact O-N 2.82Å; S277-I281 VanDerWaalsContact O-N 3.14Å; V278-I281 PolarHBondContact O-N 3.5Å; I281-H283 VanDerWaalsContact C-N 3.34Å; I281-H283 PolarHBondContact O-N 3.24Å; I281-R284 WeakPolarHBondContact O-CB 3.47Å; I281-R284 PolarHBondContact O-N 3.06Å; I281-R284 VanDerWaalsContact O-N 3.1Å; I281-W285 PolarHBondContact O-N 3.37Å
282F89.8Confident90.1Very high105 Ų10568.6 Ų68.646%0.46134%0.34SS..Hα-helixtrans-59.2-43.8178.6-178.7-99.7000111.9V278 F279 R284 W285 Q286V278-F282 PolarHBondContact O-N 2.95Å; F279-F282 PolarHBondContact O-N 2.68Å; F282-R284 PolarHBondContact O-N 3.29Å; F282-W285 HydrophobicContact CD2-CE3 4.11Å; F282-W285 HydrophobicContact CD2-CZ3 4.5Å; F282-W285 AromaticContact CE2-CE3 3.86Å; F282-W285 HydrophobicContact CE2-CE3 3.86Å; F282-W285 AromaticContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CZ-CE3 4.46Å; F282-W285 HydrophobicContact CZ-CZ3 4.22Å; F282-W285 PolarHBondContact O-N 3.17Å; F282-Q286 VanDerWaalsContact O-CB 3.3Å; F282-Q286 WeakPolarHBondContact O-CB 3.39Å; F282-Q286 PolarHBondContact O-N 2.97Å
283H89.4Confident89.8Confident90 Ų9068.4 Ų68.442%0.41733%0.331SS..Hα-helixtrans-61.8-40.6173-94.4-67.5000113.1F279 I281 Q286 A287F279-H283 AromaticContact CD1-CD2 3.85Å; F279-H283 AromaticContact CE1-CD2 3.36Å; F279-H283 WeakPolarHBondContact CE1-CD2 3.44Å; F279-H283 AromaticContact CE1-NE2 3.44Å; F279-H283 WeakPolarHBondContact CE1-NE2 3.43Å; F279-H283 AromaticContact CE2-CD2 3.93Å; F279-H283 AromaticContact CE2-NE2 3.78Å; F279-H283 AromaticContact CZ-CD2 3.42Å; F279-H283 VanDerWaalsContact CZ-CD2 3.42Å; F279-H283 WeakPolarHBondContact CZ-CD2 3.34Å; F279-H283 AromaticContact CZ-NE2 3.09Å; F279-H283 WeakPolarHBondContact CZ-NE2 3.49Å; F279-H283 PolarHBondContact O-N 2.97Å; I281-H283 VanDerWaalsContact C-N 3.34Å; I281-H283 PolarHBondContact O-N 3.24Å; H283-Q286 PolarHBondContact O-N 3.5Å; H283-A287 PolarHBondContact O-N 3.35Å
284R90.4Very high89.6Confident86 Ų8661.8 Ų61.833%0.32530%0.301SS..Hα-helixtrans-62.4-42.7176.2-158.9179.967.3-138.77.4111.4I208 S209 E214 R280 I281 F282I208-R284 HydrophobicContact CD1-CB 4.22Å; I208-R284 HydrophobicContact CD1-CG 3.56Å; S209-R284 PolarHBondContact O-NH2 3.43Å; E214-R284 IonicContact OE1-CZ 3.76Å; E214-R284 IonicContact OE1-NH1 3.64Å; E214-R284 PolarHBondContact OE1-NH1 3.4Å; E214-R284 IonicContact OE1-NH2 2.89Å; E214-R284 PolarHBondContact OE1-NH2 3.16Å; E214-R284 IonicContact OE2-CZ 3.62Å; E214-R284 IonicContact OE2-NH1 3.59Å; E214-R284 IonicContact OE2-NH2 2.79Å; E214-R284 PolarHBondContact OE2-NH2 3.07Å; R280-R284 PolarHBondContact O-N 3.05Å; I281-R284 WeakPolarHBondContact O-CB 3.47Å; I281-R284 PolarHBondContact O-N 3.06Å; I281-R284 VanDerWaalsContact O-N 3.1Å; F282-R284 PolarHBondContact O-N 3.29Å
285W90Very high89.4Confident50 Ų5063.3 Ų63.319%0.18931%0.309CS..Hα-helixtrans-65.9-42.7174.3171.888.4000112.1W205 I281 F282 A287 V288 N289W205-W285 HydrophobicContact CD2-CH2 4.42Å; W205-W285 AromaticContact CD2-CZ2 3.65Å; W205-W285 HydrophobicContact CD2-CZ2 3.65Å; W205-W285 AromaticContact CE2-CZ2 3.79Å; W205-W285 AromaticContact CE3-CZ2 3.83Å; W205-W285 HydrophobicContact CE3-CZ2 3.83Å; W205-W285 HydrophobicContact CG-CZ2 4.13Å; W205-W285 HydrophobicContact CH2-CH2 4.35Å; W205-W285 HydrophobicContact CH2-CZ2 4.27Å; W205-W285 HydrophobicContact CZ2-CH2 4.09Å; W205-W285 HydrophobicContact CZ2-CZ2 4.12Å; W205-W285 HydrophobicContact CZ3-CZ2 4.13Å; I281-W285 PolarHBondContact O-N 3.37Å; F282-W285 HydrophobicContact CD2-CE3 4.11Å; F282-W285 HydrophobicContact CD2-CZ3 4.5Å; F282-W285 AromaticContact CE2-CE3 3.86Å; F282-W285 HydrophobicContact CE2-CE3 3.86Å; F282-W285 AromaticContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CE2-CZ3 3.79Å; F282-W285 HydrophobicContact CZ-CE3 4.46Å; F282-W285 HydrophobicContact CZ-CZ3 4.22Å; F282-W285 PolarHBondContact O-N 3.17Å; W285-A287 PolarHBondContact O-N 2.97Å; W285-V288 PolarHBondContact O-N 3.35Å; W285-N289 HydrophobicContact CD2-CB 4.36Å; W285-N289 HydrophobicContact CH2-CB 4.3Å; W285-N289 HydrophobicContact CZ2-CB 3.92Å; W285-N289 PolarHBondContact NE1-ND2 3.05Å; W285-N289 WeakPolarHBondContact O-CB 3.31Å; W285-N289 PolarHBondContact O-N 3.38Å; W285-N289 PolarHBondContact O-ND2 3.24Å
286Q87.7Confident89.3Confident46 Ų4666 Ų6622%0.21532%0.318CS..Hα-helixtrans-61.1-45.9-179.9-174.1-179.728.500110.6F282 H283 V288 N289 Q290F282-Q286 VanDerWaalsContact O-CB 3.3Å; F282-Q286 WeakPolarHBondContact O-CB 3.39Å; F282-Q286 PolarHBondContact O-N 2.97Å; H283-Q286 PolarHBondContact O-N 3.5Å; Q286-V288 PolarHBondContact O-N 3.3Å; Q286-V288 VanDerWaalsContact O-N 3.14Å; Q286-N289 CarbonylContact O-C 3.47Å; Q286-N289 PolarHBondContact O-N 2.92Å; Q286-N289 VanDerWaalsContact O-N 3.08Å; Q286-Q290 WeakPolarHBondContact O-CB 3.25Å; Q286-Q290 PolarHBondContact O-N 3.49Å
287A85.9Confident89Confident55 Ų5564.3 Ų64.346%0.45530%0.301SS..Hα-helixtrans-54.7-35.8179.400000113.5H283 W285 W292H283-A287 PolarHBondContact O-N 3.35Å; W285-A287 PolarHBondContact O-N 2.97Å; A287-W292 PolarHBondContact O-NE1 3.03Å
288V85.5Confident88.7Confident61 Ų6167.6 Ų67.637%0.3732%0.317SS..Hα-helixtrans-83.2-31.3179.1-178.20000112.5K200 Q206 I208 W285 Q286K200-V288 PolarHBondContact NZ-O 2.97Å; Q206-V288 HydrophobicContact CB-CG1 3.88Å; Q206-V288 HydrophobicContact CG-CG1 4.25Å; I208-V288 HydrophobicContact CD1-CG2 4.11Å; W285-V288 PolarHBondContact O-N 3.35Å; Q286-V288 PolarHBondContact O-N 3.3Å; Q286-V288 VanDerWaalsContact O-N 3.14Å
289N87.6Confident88Confident0 Ų073.1 Ų73.10%034%0.338CS..Hα-helixtrans-100.6-1.8-173.8-71.7-66000114.7T199 K200 W205 Q206 W285 Q286T199-N289 WeakPolarHBondContact CA-O 3.29Å; K200-N289 WeakPolarHBondContact CG-O 3.4Å; K200-N289 PolarHBondContact N-O 3.44Å; W205-N289 VanDerWaalsContact CA-OD1 3.25Å; W205-N289 WeakPolarHBondContact CA-OD1 3.37Å; Q206-N289 PolarHBondContact N-OD1 3.47Å; Q206-N289 PolarHBondContact O-ND2 3.5Å; W285-N289 HydrophobicContact CD2-CB 4.36Å; W285-N289 HydrophobicContact CH2-CB 4.3Å; W285-N289 HydrophobicContact CZ2-CB 3.92Å; W285-N289 PolarHBondContact NE1-ND2 3.05Å; W285-N289 WeakPolarHBondContact O-CB 3.31Å; W285-N289 PolarHBondContact O-N 3.38Å; W285-N289 PolarHBondContact O-ND2 3.24Å; Q286-N289 CarbonylContact O-C 3.47Å; Q286-N289 PolarHBondContact O-N 2.92Å; Q286-N289 VanDerWaalsContact O-N 3.08Å
290Q86.4Confident87.2Confident37 Ų3769.5 Ų69.517%0.17333%0.329CS..EExtended strand (participates in β ladder)trans-86.7138.1173.4-167.3155.845.200110.7A196 Q286 W292A196-Q290 HydrophobicContact CB-CG 3.5Å; A196-Q290 VanDerWaalsContact CB-NE2 3.28Å; Q286-Q290 WeakPolarHBondContact O-CB 3.25Å; Q286-Q290 PolarHBondContact O-N 3.49Å; Q290-W292 HydrophobicContact CG-CZ2 4.45Å
291Q82.2Confident86.2Confident99 Ų9967.3 Ų67.346%0.46333%0.327SS..EExtended strand (participates in β ladder)trans-91.2116.4173.3-63.9-174.6-66.100109.4I197 S198 K200I197-Q291 PolarHBondContact N-O 2.85Å; S198-Q291 PolarHBondContact O-N 3.43Å; K200-Q291 HydrophobicContact CG-CG 3.56Å
292W84.8Confident85.2Confident92 Ų9268.5 Ų68.535%0.34833%0.333SS..EExtended strand (participates in β ladder)trans-90.8131.2176.6-5796.1000109.7Q170 I174 V194 I195 A196 A287 Q290Q170-W292 PolarHBondContact NE2-O 2.72Å; I174-W292 HydrophobicContact CD1-CB 4.3Å; V194-W292 HydrophobicContact CG1-CB 4.05Å; V194-W292 HydrophobicContact CG1-CE3 4.09Å; I195-W292 CarbonylContact O-C 3.55Å; I195-W292 WeakPolarHBondContact O-CA 3.46Å; A196-W292 HydrophobicContact CB-CE3 4.18Å; A196-W292 HydrophobicContact CB-CZ3 4.05Å; A287-W292 PolarHBondContact O-NE1 3.03Å; Q290-W292 HydrophobicContact CG-CZ2 4.45Å
293K88.9Confident84.4Confident96 Ų9666.4 Ų66.442%0.41733%0.331SS..EExtended strand (participates in β ladder)trans-119129170.1176.1166.6-177.4168.70110I195 I197I195-K293 HydrophobicContact CG1-CB 4.47Å; I195-K293 PolarHBondContact N-O 3.4Å; I195-K293 PolarHBondContact O-N 2.85Å; I197-K293 HydrophobicContact CD1-CB 3.6Å; I197-K293 HydrophobicContact CD1-CD 3.63Å; I197-K293 HydrophobicContact CD1-CG 4.23Å; I197-K293 HydrophobicContact CG1-CB 3.6Å; I197-K293 HydrophobicContact CG1-CD 4.38Å
294V90.5Very high83.4Confident1 Ų165.6 Ų65.61%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-82.9131170.9-176.90000106.9L156 P158 Q170 L173 I174 V194L156-V294 HydrophobicContact CD1-CB 4.25Å; L156-V294 HydrophobicContact CD1-CG1 3.95Å; L156-V294 HydrophobicContact CD2-CB 3.97Å; L156-V294 HydrophobicContact CD2-CG1 4.4Å; P158-V294 HydrophobicContact CB-CG1 3.67Å; Q170-V294 HydrophobicContact CG-CB 4.35Å; Q170-V294 HydrophobicContact CG-CG2 3.97Å; L173-V294 HydrophobicContact CD2-CB 4.36Å; L173-V294 HydrophobicContact CD2-CG1 3.55Å; L173-V294 HydrophobicContact CD2-CG2 3.93Å; I174-V294 HydrophobicContact CD1-CG2 3.74Å; I174-V294 HydrophobicContact CG1-CG2 4.06Å; V194-V294 HydrophobicContact CG2-CG2 4.22Å
295L89.4Confident82.1Confident68 Ų6866.9 Ų66.936%0.35634%0.344SS..PPolyproline II helixtrans-84.6149.1169.6-7384.9000110Q193 I195Q193-L295 HydrophobicContact CB-CB 4.32Å; Q193-L295 HydrophobicContact CG-CB 4.46Å; Q193-L295 HydrophobicContact CG-CD1 4.14Å; Q193-L295 PolarHBondContact O-N 2.93Å; I195-L295 HydrophobicContact CB-CD1 4.25Å; I195-L295 HydrophobicContact CD1-CD1 3.85Å; I195-L295 HydrophobicContact CG1-CD1 3.66Å; I195-L295 HydrophobicContact CG2-CD1 3.74Å
296N90.7Very high81.2Confident85 Ų8570.2 Ų70.246%0.45536%0.364SS..PPolyproline II helixtrans-63.8140.8161.5-74-64.2000109.4L156 S157 D298L156-N296 VanDerWaalsContact CA-OD1 3.25Å; L156-N296 WeakPolarHBondContact CA-OD1 3.23Å; L156-N296 VanDerWaalsContact CB-OD1 3.25Å; L156-N296 WeakPolarHBondContact CB-OD1 3.23Å; S157-N296 PolarHBondContact N-OD1 3.18Å; N296-D298 PolarHBondContact O-N 3.02Å
297Y88.8Confident80.2Confident47 Ų4773.8 Ų73.818%0.18438%0.379CS..PPolyproline II helixtrans-66.7124.2166.8168.2-106.1000109.1S157 R160 Y190 K299S157-Y297 WeakPolarHBondContact O-CB 3.35Å; S157-Y297 PolarHBondContact O-N 3.42Å; R160-Y297 HydrophobicContact CB-CE1 4.42Å; R160-Y297 HydrophobicContact CG-CD1 4.24Å; R160-Y297 HydrophobicContact CG-CD2 4.24Å; R160-Y297 HydrophobicContact CG-CE1 3.8Å; R160-Y297 HydrophobicContact CG-CE2 3.79Å; R160-Y297 HydrophobicContact CG-CG 4.45Å; Y190-Y297 HydrophobicContact CD1-CD2 4.28Å; Y190-Y297 HydrophobicContact CD2-CE2 4.47Å; Y190-Y297 AromaticContact CE1-CD2 3.65Å; Y190-Y297 HydrophobicContact CE1-CD2 3.65Å; Y190-Y297 HydrophobicContact CE1-CE2 4.45Å; Y190-Y297 HydrophobicContact CE1-CG 4.35Å; Y190-Y297 AromaticContact CE2-CD2 3.93Å; Y190-Y297 HydrophobicContact CE2-CD2 3.93Å; Y190-Y297 AromaticContact CE2-CE2 3.92Å; Y190-Y297 HydrophobicContact CE2-CE2 3.92Å; Y190-Y297 AromaticContact CZ-CD2 3.46Å; Y190-Y297 VanDerWaalsContact CZ-CD2 3.46Å; Y190-Y297 AromaticContact CZ-CE2 3.92Å; Y297-K299 HydrophobicContact CE1-CB 4.12Å
298D85Confident79.3Confident83 Ų8377.7 Ų77.744%0.44439%0.388SS..  trans-107130.4168.9-171.9-8.8000109.1N296 S300 L301N296-D298 PolarHBondContact O-N 3.02Å; D298-S300 VanDerWaalsContact C-N 3.25Å; D298-S300 PolarHBondContact O-N 3.45Å; D298-S300 WeakPolarHBondContact OD1-CB 3.23Å; D298-S300 PolarHBondContact OD1-N 2.92Å; D298-S300 PolarHBondContact OD1-OG 2.88Å; D298-S300 VanDerWaalsContact OD1-OG 3.07Å; D298-S300 PolarHBondContact OD2-OG 3.11Å; D298-L301 HydrophobicContact CB-CD1 4.15Å; D298-L301 HydrophobicContact CB-CG 4.27Å
299K79.8Confident78.3Confident157 Ų15777.3 Ų77.368%0.68339%0.391SS*.Hα-helixtrans-73.8-17179.3-167.6-179.8177.7-1730112.4Y297 S303Y297-K299 HydrophobicContact CE1-CB 4.12Å; K299-S303 PolarHBondContact O-OG 2.89Å
300S74Confident77.5Confident52 Ų5281.1 Ų81.136%0.36442%0.415SS..Hα-helixtrans-63.8-49.5175.967.20000111.7D298 D302 S303 D304D298-S300 VanDerWaalsContact C-N 3.25Å; D298-S300 PolarHBondContact O-N 3.45Å; D298-S300 WeakPolarHBondContact OD1-CB 3.23Å; D298-S300 PolarHBondContact OD1-N 2.92Å; D298-S300 PolarHBondContact OD1-OG 2.88Å; D298-S300 VanDerWaalsContact OD1-OG 3.07Å; D298-S300 PolarHBondContact OD2-OG 3.11Å; S300-D302 PolarHBondContact O-N 2.81Å; S300-S303 WeakPolarHBondContact O-CA 3.38Å; S300-S303 VanDerWaalsContact O-CB 3.31Å; S300-S303 WeakPolarHBondContact O-CB 3.49Å; S300-S303 PolarHBondContact O-N 3.48Å; S300-D304 PolarHBondContact O-N 3Å
301L72.4Confident76.6Confident93 Ų9383.7 Ų83.749%0.48743%0.432SS..Hα-helixtrans-50.3-43.8179.9-63172.5000112.1D298 S303 D304 D305D298-L301 HydrophobicContact CB-CD1 4.15Å; D298-L301 HydrophobicContact CB-CG 4.27Å; L301-S303 VanDerWaalsContact C-N 3.25Å; L301-S303 PolarHBondContact O-N 2.65Å; L301-D304 PolarHBondContact O-N 3.37Å; L301-D305 PolarHBondContact O-N 2.85Å
302D70.6Confident75.5Confident36 Ų3683.8 Ų83.819%0.19344%0.436CS..Hα-helixtrans-59.5-34.2178.2-121.675000114.1R160 S300 D304 L306R160-D302 IonicContact CZ-OD1 3.7Å; R160-D302 IonicContact CZ-OD2 3.09Å; R160-D302 IonicContact NE-OD1 3.81Å; R160-D302 IonicContact NH1-OD1 3.84Å; R160-D302 IonicContact NH1-OD2 3.66Å; R160-D302 PolarHBondContact NH1-OD2 3.43Å; R160-D302 IonicContact NH2-OD1 2.78Å; R160-D302 PolarHBondContact NH2-OD1 3.42Å; R160-D302 IonicContact NH2-OD2 2.61Å; R160-D302 PolarHBondContact NH2-OD2 3.27Å; S300-D302 PolarHBondContact O-N 2.81Å; D302-D304 VanDerWaalsContact C-N 3.32Å; D302-L306 WeakPolarHBondContact O-CB 3.22Å; D302-L306 PolarHBondContact O-N 3.4Å
303S72.1Confident74.4Confident60 Ų6089 Ų8942%0.4246%0.456SS..Hα-helixtrans-77.2-24.8177.5-52.80000111.5K299 S300 L301 K307K299-S303 PolarHBondContact O-OG 2.89Å; S300-S303 WeakPolarHBondContact O-CA 3.38Å; S300-S303 VanDerWaalsContact O-CB 3.31Å; S300-S303 WeakPolarHBondContact O-CB 3.49Å; S300-S303 PolarHBondContact O-N 3.48Å; L301-S303 VanDerWaalsContact C-N 3.25Å; L301-S303 PolarHBondContact O-N 2.65Å; S303-K307 WeakPolarHBondContact O-CD 3.49Å; S303-K307 WeakPolarHBondContact O-CE 3.28Å; S303-K307 WeakPolarHBondContact O-CG 3.29Å; S303-K307 PolarHBondContact O-N 2.9Å
304D68.2Low72.9Confident74 Ų7489.4 Ų89.440%0.39647%0.467SS..Hα-helixtrans-86.2-40.4178.3-64.2-27.7000111.2S300 L301 D302 L306 K307 E308S300-D304 PolarHBondContact O-N 3Å; L301-D304 PolarHBondContact O-N 3.37Å; D302-D304 VanDerWaalsContact C-N 3.32Å; D304-L306 VanDerWaalsContact C-N 3.25Å; D304-L306 PolarHBondContact O-N 3.29Å; D304-K307 PolarHBondContact O-N 3.1Å; D304-K307 IonicContact OD1-NZ 3.25Å; D304-K307 PolarHBondContact OD1-NZ 3.47Å; D304-E308 WeakPolarHBondContact O-CG 2.93Å; D304-E308 PolarHBondContact O-N 3.31Å
305D64.9Low71.4Confident113 Ų11396.4 Ų96.460%0.60450%0.503SS*.Hα-helixtrans-55.6-41167.9-78-38.3000111.3L301 A309L301-D305 PolarHBondContact O-N 2.85Å; D305-A309 VanDerWaalsContact O-CB 3.26Å; D305-A309 WeakPolarHBondContact O-CB 3.43Å; D305-A309 PolarHBondContact O-N 3.27Å
306L69.1Low69.3Low119 Ų11998 Ų9862%0.62352%0.52SS*.Hα-helixtrans-69.4-34.4176.2-173.961.8000112.6D302 D304 V310D302-L306 WeakPolarHBondContact O-CB 3.22Å; D302-L306 PolarHBondContact O-N 3.4Å; D304-L306 VanDerWaalsContact C-N 3.25Å; D304-L306 PolarHBondContact O-N 3.29Å; L306-V310 WeakPolarHBondContact O-CB 3.36Å; L306-V310 WeakPolarHBondContact O-CG2 3.13Å; L306-V310 PolarHBondContact O-N 3.3Å
307K68.6Low67.2Low121 Ų121101.4 Ų101.453%0.52653%0.533SS..Hα-helixtrans-69.1-47.7174.2-73.6163.7-155.9160.80111.3S303 D304 A309 V310 V311S303-K307 WeakPolarHBondContact O-CD 3.49Å; S303-K307 WeakPolarHBondContact O-CE 3.28Å; S303-K307 WeakPolarHBondContact O-CG 3.29Å; S303-K307 PolarHBondContact O-N 2.9Å; D304-K307 PolarHBondContact O-N 3.1Å; D304-K307 IonicContact OD1-NZ 3.25Å; D304-K307 PolarHBondContact OD1-NZ 3.47Å; K307-A309 VanDerWaalsContact C-N 3.32Å; K307-A309 PolarHBondContact O-N 3.1Å; K307-V310 PolarHBondContact O-N 3.31Å; K307-V310 VanDerWaalsContact O-N 3.11Å; K307-V311 WeakPolarHBondContact O-CG2 3.44Å; K307-V311 PolarHBondContact O-N 2.92Å
308E66.1Low65.2Low137 Ų137104.6 Ų104.664%0.6456%0.56SS**Hα-helixtrans-56.8-47.6176.4-68.8-84.6111.600109.9D304 V310 V311 D312D304-E308 WeakPolarHBondContact O-CG 2.93Å; D304-E308 PolarHBondContact O-N 3.31Å; E308-V310 VanDerWaalsContact C-N 3.3Å; E308-V310 PolarHBondContact O-N 2.92Å; E308-V311 PolarHBondContact O-N 3.23Å; E308-V311 VanDerWaalsContact O-N 3.13Å; E308-D312 PolarHBondContact O-N 2.94Å
309A65.3Low63.4Low53 Ų53104.6 Ų104.644%0.43858%0.579SS.*Hα-helixtrans-63.5-30.8176.700000113.9D305 K307 R313D305-A309 VanDerWaalsContact O-CB 3.26Å; D305-A309 WeakPolarHBondContact O-CB 3.43Å; D305-A309 PolarHBondContact O-N 3.27Å; K307-A309 VanDerWaalsContact C-N 3.32Å; K307-A309 PolarHBondContact O-N 3.1Å; A309-R313 WeakPolarHBondContact O-CB 3.34Å; A309-R313 PolarHBondContact O-N 3.41Å; A309-R313 VanDerWaalsContact O-N 3.16Å
310V69.1Low61.4Low81 Ų81106.4 Ų106.449%0.49159%0.59SS.*Hα-helixtrans-74.9-37.5172.9165.90000111.5L306 K307 E308 R313 T314L306-V310 WeakPolarHBondContact O-CB 3.36Å; L306-V310 WeakPolarHBondContact O-CG2 3.13Å; L306-V310 PolarHBondContact O-N 3.3Å; K307-V310 PolarHBondContact O-N 3.31Å; K307-V310 VanDerWaalsContact O-N 3.11Å; E308-V310 VanDerWaalsContact C-N 3.3Å; E308-V310 PolarHBondContact O-N 2.92Å; V310-R313 PolarHBondContact O-N 3.2Å; V310-T314 WeakPolarHBondContact O-CB 3.47Å; V310-T314 PolarHBondContact O-N 2.9Å; V310-T314 PolarHBondContact O-OG1 2.76Å
311V67.6Low59.5Low90 Ų90107.5 Ų107.555%0.54561%0.609SS.*Hα-helixtrans-64.2-47.6175.4169.60000110.6K307 E308 R313 T314 L315K307-V311 WeakPolarHBondContact O-CG2 3.44Å; K307-V311 PolarHBondContact O-N 2.92Å; E308-V311 PolarHBondContact O-N 3.23Å; E308-V311 VanDerWaalsContact O-N 3.13Å; V311-R313 PolarHBondContact O-N 2.92Å; V311-T314 WeakPolarHBondContact O-CB 3.27Å; V311-T314 PolarHBondContact O-N 3.36Å; V311-T314 VanDerWaalsContact O-N 3.09Å; V311-L315 PolarHBondContact O-N 2.7Å
312D60.4Low57.7Low101 Ų101113.4 Ų113.454%0.5463%0.627SS.*Hα-helixtrans-62.5-39.9175.6-89.8-17000112.4E308 T314 L315 S316E308-D312 PolarHBondContact O-N 2.94Å; D312-T314 VanDerWaalsContact C-N 3.27Å; D312-T314 PolarHBondContact O-N 3.28Å; D312-L315 PolarHBondContact O-N 2.96Å; D312-S316 WeakPolarHBondContact O-CB 3.29Å; D312-S316 PolarHBondContact O-N 3.47Å; D312-S316 VanDerWaalsContact O-N 3.11Å; D312-S316 PolarHBondContact O-OG 2.75Å
313R61Low56Low203 Ų203120.9 Ų120.977%0.76666%0.66SS**Hα-helixtrans-63.1-33.3172.8-112.8-180171.6145.8-1.4113A309 V310 V311A309-R313 WeakPolarHBondContact O-CB 3.34Å; A309-R313 PolarHBondContact O-N 3.41Å; A309-R313 VanDerWaalsContact O-N 3.16Å; V310-R313 PolarHBondContact O-N 3.2Å; V311-R313 PolarHBondContact O-N 2.92Å
314T58.2Low54.2Low104 Ų104125.4 Ų125.464%0.63868%0.68SS**Hα-helixtrans-76.3-33.6178.6-53.60000111.1V310 V311 D312 S316V310-T314 WeakPolarHBondContact O-CB 3.47Å; V310-T314 PolarHBondContact O-N 2.9Å; V310-T314 PolarHBondContact O-OG1 2.76Å; V311-T314 WeakPolarHBondContact O-CB 3.27Å; V311-T314 PolarHBondContact O-N 3.36Å; V311-T314 VanDerWaalsContact O-N 3.09Å; D312-T314 VanDerWaalsContact C-N 3.27Å; D312-T314 PolarHBondContact O-N 3.28Å; T314-S316 VanDerWaalsContact C-N 3.3Å; T314-S316 PolarHBondContact O-N 3.17Å
315L57.5Low52.4Low148 Ų148125.6 Ų125.678%0.77570%0.699SS**Hα-helixtrans-72.8-22.5175.5-163.471.1000113.1V311 D312V311-L315 PolarHBondContact O-N 2.7Å; D312-L315 PolarHBondContact O-N 2.96Å
316S46.3Very low50.9Low100 Ų100128.9 Ų128.970%0.69972%0.715SS**THydrogen-bonded Turntrans-92.37.5-172.9-58.80000115.1D312 T314D312-S316 WeakPolarHBondContact O-CB 3.29Å; D312-S316 PolarHBondContact O-N 3.47Å; D312-S316 VanDerWaalsContact O-N 3.11Å; D312-S316 PolarHBondContact O-OG 2.75Å; T314-S316 VanDerWaalsContact C-N 3.3Å; T314-S316 PolarHBondContact O-N 3.17Å
317Q46.2Very low49.1Very low157 Ų157126.2 Ų126.273%0.73472%0.716SS**  trans-113.2118.2-173.8-152168.4119.200111.7
318P46.4Very low47.4Very low115 Ų115127.5 Ų127.575%0.74773%0.734SS**PPolyproline II helixtrans-72.5130.817829.9-32.9000110.1Q320P318-Q320 PolarHBondContact O-N 2.86Å
319G47Very low45.8Very low82 Ų82126.5 Ų126.585%0.84574%0.742SS**PPolyproline II helixtrans-66.6120.5-176.500000112.8
320Q37.6Very low44.2Very low196 Ų196129 Ų12992%0.91676%0.762SS**PPolyproline II helixtrans-85.2130.9158.7-84-171.7-39.100109.8P318P318-Q320 PolarHBondContact O-N 2.86Å
321G35.6Very low42.4Very low75 Ų75130 Ų13077%0.77377%0.772SS**PPolyproline II helixtrans-72.8156.6-174.400000114
322Y34.9Very low40.9Very low217 Ų217132.9 Ų132.985%0.85179%0.785SS**PPolyproline II helixtrans-48.9138170.4-84.1-112.3000113.3
323Q34.8Very low39.6Very low193 Ų193133.1 Ų133.190%0.90279%0.794SS**  trans-141.3141133.5-97.5-169.512.700111.1
324N32.7Very low38.4Very low155 Ų155128.4 Ų128.483%0.82979%0.793SS**  trans-78.3147.2178.6-69.1-29.5000111.2
325G31.4Very low37.1Very low77 Ų77130.5 Ų130.579%0.79480%0.799SS**  trans-172.888.2175.700000114.7
326I33.8Very low36.1Very low183 Ų183132 Ų13294%0.93880%0.804SS**  trans-34.9137.2169.5-60151.4000114.5
327G30.4Very low35.4Very low62 Ų62132.7 Ų132.764%0.63980%0.804SS**  trans152.598.914900000119.9
328V32.3Very low34.8Very low149 Ų149132 Ų13290%0.90381%0.811SS**  trans57.8130.9138.9-170.20000120.9
329S33.8Very low34.1Very low116 Ų116130.4 Ų130.481%0.81181%0.807SS**  trans-64.6150.2172.7-420000115.4
330A30.7Very low33.4Very low104 Ų104131.5 Ų131.586%0.8680%0.801SS**  trans-168.9160.9132.300000111.6
331S32Very low33Very low102 Ų102128.6 Ų128.671%0.71380%0.798SS**  trans-110.1163.4-169.3-42.20000114
332N34.9Very low32.9Very low151 Ų151128.9 Ų128.981%0.80779%0.793SS**  trans77.8144.5145.2-63.5-8.1000122.5
333S33.7Very low32.6Very low106 Ų106126.5 Ų126.574%0.74179%0.794SS**  trans90101144-64.50000122
334S35.4Very low32.3Very low105 Ų105120.5 Ų120.573%0.73479%0.785SS**  60.7137.7109.1-53.70000123.6
335L31.5Very low32.2Very low148 Ų148118.5 Ų118.578%0.77578%0.783SS**  trans71.5139.7159.8-68.9155.9000115
336M36Very low32.1Very low178 Ų178120.7 Ų120.788%0.87778%0.781SS**  -139.2157.261.3-68.7-65.2-167.100116.3
337V32.4Very low32Very low116 Ų116117.3 Ų117.370%0.70377%0.774SS**  trans-86.1141163.3168.20000109.9
338V34.1Very low32Very low143 Ų143120.5 Ų120.587%0.86778%0.781SS**  trans-140.5135.5146.7-178.30000108.7
339A30.6Very low31.7Very low80 Ų80117.8 Ų117.866%0.66177%0.774SS**  trans-123.7147.6175.900000110.9
340S32.7Very low31.5Very low105 Ų105118.7 Ų118.773%0.73477%0.774SS**  trans-166.5123.8161.3-69.20000105.8
341T30Very low31.4Very low136 Ų136120.1 Ų120.183%0.83477%0.772SS**  cis55.6130.448.469.40000113.7
342A31.8Very low31.3Very low81 Ų81122 Ų12267%0.66978%0.779SS**  cis-165.6176.2-10.100000110.8
343N30Very low30.9Very low166 Ų166118.4 Ų118.489%0.88877%0.771SS**  trans68.2146.3169.8-58.4-4.9000116
344G27.9Very low30.6Very low68 Ų68120.7 Ų120.770%0.70178%0.781SS**  cis114.5135.22600000108.2
345S31.1Very low30.2Very low113 Ų113118.9 Ų118.979%0.7978%0.778SS**  cis-166.7169.715.8-54.60000112.1
346T29.2Very low30Very low123 Ų123120.8 Ų120.876%0.75578%0.783SS**  trans74.6116.2146.6-38.70000122.7
347S32.1Very low29.5Very low112 Ų112120.4 Ų120.478%0.78378%0.784SS**  154.3110.9127.2-67.30000110.2
348T28.8Very low29.2Very low129 Ų129118.6 Ų118.679%0.79179%0.789SS**  92.5114.359.2-570000114.3
349A27.7Very low28.9Very low91 Ų91116.7 Ų116.775%0.75279%0.788SS**  trans66157.6166.600000117.1
350V28.9Very low28.6Very low135 Ų135121.5 Ų121.582%0.81880%0.796SS**  cis-140.7158.623.8172.10000111.9
351V29.3Very low28.5Very low135 Ų135121.7 Ų121.782%0.81879%0.793SS**  trans-93.4132.4174.6172.40000112
352T28.3Very low28.4Very low140 Ų140122.4 Ų122.486%0.85979%0.792SS**  trans-153.6152.4144.8-23.80000111.7
353A27.8Very low28.9Very low77 Ų77123.5 Ų123.564%0.63679%0.792SS**  trans-113.7-171-178.500000112.4
354T27.9Very low28.6Very low154 Ų154124.4 Ų124.495%0.94579%0.791SS**  trans76145.8-177.773.60000114.9
355G27Very low28.5Very low66 Ų66127.1 Ų127.168%0.6880%0.799SS**  cis170.1150.3-6.300000110.9
356E25.5Very low28.2Very low188 Ų188124.8 Ų124.888%0.87979%0.793SS**  trans59.1123.5174.2-76.2173.278.700117.9
357L26.7Very low28.2Very low170 Ų170125.9 Ų125.989%0.8980%0.8SS**  81101.265.4-16382.1000113
358G26.5Very low28.1Very low79 Ų79126.6 Ų126.681%0.81480%0.799SS**  trans176.3120.1172.900000110.9
359A26.9Very low28.4Very low103 Ų103126.4 Ų126.485%0.85180%0.798SS**  trans-99.9145.6-17100000113.1
360H24.7Very low28.8Very low180 Ų180127.7 Ų127.783%0.83380%0.799SS**  trans-146.6154.3144.4-154-89.8000111.2
361V30.7Very low28.8Very low110 Ų110127.8 Ų127.867%0.66779%0.794SS**  trans-100.9146.2-173.8171.60000110.1
362D28.3Very low29.3Very low151 Ų151130.5 Ų130.581%0.80780%0.798SS**  trans-159.2159138.9-96.8-38000110.6
363P40.7Very low29.7Very low104 Ų104130.7 Ų130.768%0.67579%0.789SS**  trans-110.1154.6-159.839.5-32.8000115.3
364E24.5Very low30.3Very low185 Ų185130.6 Ų130.686%0.86478%0.783SS**  168.3158.7127.3-96.6-160.28000114.9
365S25.5Very low31Very low124 Ų124128.1 Ų128.187%0.86777%0.77SS**  trans74.9143.1167.487.20000119.4
366G26.2Very low31.9Very low64 Ų64133.7 Ų133.766%0.6677%0.771SS**  trans117.762.8161.900000117.5T368G366-T368 PolarHBondContact O-N 3.37Å
367T28.9Very low32.9Very low147 Ų147130.4 Ų130.490%0.90276%0.76SS**  trans-65.3102.2170.3-54.90000111.6
368T30.1Very low34.3Very low126 Ų126127.8 Ų127.877%0.77375%0.746SS**  trans-102.4118.517056.60000111.6G366G366-T368 PolarHBondContact O-N 3.37Å
369V34.5Very low35.4Very low126 Ų126129.9 Ų129.976%0.76474%0.737SS**  trans-62.6131.2173.41760000110.2D371V369-D371 PolarHBondContact O-N 3.24Å
370P35.8Very low36.3Very low118 Ų118130.6 Ų130.677%0.76672%0.723SS**  trans-78112.317530-32.1000110.7Q372P370-Q372 PolarHBondContact O-N 2.76Å
371D29.6Very low37.3Very low137 Ų137127.9 Ų127.973%0.73371%0.714SS**  trans-66128178.3-135.9-50.2000111.7V369 H373V369-D371 PolarHBondContact O-N 3.24Å; D371-H373 VanDerWaalsContact C-N 3.33Å; D371-H373 PolarHBondContact O-N 3.48Å; D371-H373 IonicContact OD1-CE1 2.66Å; D371-H373 IonicContact OD1-ND1 2.68Å; D371-H373 PolarHBondContact OD1-ND1 3.35Å
372Q38.3Very low38.1Very low191 Ų191127.7 Ų127.789%0.89371%0.709SS**  trans-89.165.1-166.3-162.7148.249.400112.3P370P370-Q372 PolarHBondContact O-N 2.76Å
373H38.1Very low38.9Very low144 Ų144123.9 Ų123.967%0.66769%0.694SS**  trans-109.6107.1-173.4-90.987.1000115.3D371D371-H373 VanDerWaalsContact C-N 3.33Å; D371-H373 PolarHBondContact O-N 3.48Å; D371-H373 IonicContact OD1-CE1 2.66Å; D371-H373 IonicContact OD1-ND1 2.68Å; D371-H373 PolarHBondContact OD1-ND1 3.35Å
374C41Very low39Very low76 Ų76126 Ų12651%0.51469%0.694SS.*  trans43.3116.2150.7-69.80000121Y376C374-Y376 PolarHBondContact O-N 3.4Å
375P42.3Very low39.7Very low102 Ų102123.3 Ų123.366%0.66269%0.685SS**THydrogen-bonded Turntrans-67.92.7171.730.3-36.4000115.1
376Y44.6Very low40.2Very low183 Ų183127.9 Ų127.972%0.71868%0.683SS**Hα-helixtrans-78.2-25.6179.8-74.9-86.1000113.8C374 I378 L379 H380C374-Y376 PolarHBondContact O-N 3.4Å; Y376-I378 VanDerWaalsContact C-N 3.33Å; Y376-I378 PolarHBondContact O-N 3.37Å; Y376-L379 PolarHBondContact O-N 2.97Å; Y376-H380 PolarHBondContact O-N 3.06Å
377N47.4Very low40.5Very low119 Ų119133.1 Ų133.164%0.63669%0.691SS**Hα-helixtrans-64.9-35.4178.2-95.5-42.4000112.7L379 H380 L381N377-L379 PolarHBondContact O-N 2.81Å; N377-H380 PolarHBondContact O-N 3.46Å; N377-L381 PolarHBondContact O-N 3.48Å
378I55.6Low40.7Very low115 Ų115132.2 Ų132.259%0.5969%0.687SS**Hα-helixtrans-67-40.3-178.5-60.4172.7000111Y376 H380 L381 L382Y376-I378 VanDerWaalsContact C-N 3.33Å; Y376-I378 PolarHBondContact O-N 3.37Å; I378-H380 VanDerWaalsContact C-N 3.32Å; I378-H380 PolarHBondContact O-N 3.1Å; I378-L381 PolarHBondContact O-N 3.4Å; I378-L382 HydrophobicContact CG2-CD1 4.16Å; I378-L382 WeakPolarHBondContact O-CG 3.49Å; I378-L382 PolarHBondContact O-N 3.48Å; I378-L382 VanDerWaalsContact O-N 3.09Å
379L49Very low40.8Very low122 Ų122135.5 Ų135.564%0.63969%0.694SS**Hα-helixtrans-66.8-33.2174.7-78.4165.3000112.5Y376 N377 S383Y376-L379 PolarHBondContact O-N 2.97Å; N377-L379 PolarHBondContact O-N 2.81Å; L379-S383 PolarHBondContact O-N 3.01Å
380H46Very low40.6Very low119 Ų119134.2 Ų134.255%0.55170%0.696SS**Hα-helixtrans-75.5-25.9175.7-153.7-74.1000112.9Y376 N377 I378 S383 H384Y376-H380 PolarHBondContact O-N 3.06Å; N377-H380 PolarHBondContact O-N 3.46Å; I378-H380 VanDerWaalsContact C-N 3.32Å; I378-H380 PolarHBondContact O-N 3.1Å; H380-S383 PolarHBondContact O-OG 3.43Å; H380-H384 AromaticContact CE1-CD2 3.98Å; H380-H384 AromaticContact CE1-NE2 3.72Å; H380-H384 AromaticContact ND1-CD2 3.87Å; H380-H384 PolarHBondContact O-CD2 3.38Å
381L45.9Very low40.4Very low122 Ų122139.5 Ų139.564%0.63970%0.701SS**Hα-helixtrans-76.2-38.4173.8-150.873.8000111.4N377 I378 S383 H384 L385N377-L381 PolarHBondContact O-N 3.48Å; I378-L381 PolarHBondContact O-N 3.4Å; L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.35Å; L381-H384 PolarHBondContact O-N 3.08Å; L381-L385 PolarHBondContact O-N 3.36Å
382L47.1Very low40.3Very low107 Ų107138.4 Ų138.456%0.5670%0.704SS**Hα-helixtrans-70.2-24.6178.5-71.5169.1000113.8I378I378-L382 HydrophobicContact CG2-CD1 4.16Å; I378-L382 WeakPolarHBondContact O-CG 3.49Å; I378-L382 PolarHBondContact O-N 3.48Å; I378-L382 VanDerWaalsContact O-N 3.09Å
383S45.8Very low40Very low71 Ų71137.4 Ų137.450%0.49770%0.699SS.*Hα-helixtrans-71.3-32.1173.161.60000112.6L379 H380 L381L379-S383 PolarHBondContact O-N 3.01Å; H380-S383 PolarHBondContact O-OG 3.43Å; L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.35Å
384H42.9Very low40Very low148 Ų148136.1 Ų136.169%0.68570%0.704SS**Hα-helixtrans-80.4-16.2178-83.8-81.1000114.3H380 L381H380-H384 AromaticContact CE1-CD2 3.98Å; H380-H384 AromaticContact CE1-NE2 3.72Å; H380-H384 AromaticContact ND1-CD2 3.87Å; H380-H384 PolarHBondContact O-CD2 3.38Å; L381-H384 PolarHBondContact O-N 3.08Å
385L39.6Very low39.4Very low128 Ų128138.1 Ų138.167%0.6772%0.718SS**THydrogen-bonded Turntrans-86.3-2.3177.6-72.2170.8000114.2L381 Q387L381-L385 PolarHBondContact O-N 3.36Å; L385-Q387 PolarHBondContact O-N 3.28Å; L385-Q387 VanDerWaalsContact O-N 3.16Å
386R35.8Very low39.1Very low220 Ų220141.6 Ų141.683%0.8373%0.731SS**  trans-78.996.7172.3-174.6175.6-70.7156.9-1.4109.7
387Q33.2Very low38.4Very low175 Ų175137.7 Ų137.782%0.81873%0.731SS**  trans-55.4146.9172.3-81.8-168-23.900111.9L385 E389L385-Q387 PolarHBondContact O-N 3.28Å; L385-Q387 VanDerWaalsContact O-N 3.16Å; Q387-E389 PolarHBondContact O-N 3.05Å
388P32.3Very low38.1Very low127 Ų127138.5 Ų138.583%0.82574%0.741SS**  trans-76.7114.3167.331.2-31.1000109.8
389E32.9Very low37.2Very low196 Ų196143.4 Ų143.492%0.91675%0.752SS**  trans-71.5154.8178.1-137.6164.1141.700112.1Q387Q387-E389 PolarHBondContact O-N 3.05Å
390A29.9Very low36.9Very low98 Ų98146.5 Ų146.581%0.8176%0.763SS**  trans-68.8144.1-159.400000115S392A390-S392 PolarHBondContact O-N 3.15Å
391R30.6Very low36.4Very low229 Ų229147.8 Ų147.886%0.86477%0.773SS**  trans-74.1113.7-178.8-176.2-174-167.894.5-5.1111.9
392S27.4Very low35.8Very low115 Ų115147.1 Ų147.180%0.80477%0.774SS**  trans-108137.8161.556.70000110.9A390A390-S392 PolarHBondContact O-N 3.15Å
393Q31.8Very low35.2Very low169 Ų169150.9 Ų150.979%0.7979%0.791SS**  trans-98.9174.2-174.7-114-166.2-30.600111.7
394P38.7Very low34.8Very low117 Ų117157.6 Ų157.676%0.7681%0.805SS**  -107.6162.9-126.140.2-32.3000114.8
395S29.3Very low34.6Very low118 Ų118156.2 Ų156.283%0.82581%0.807SS**  trans-120.8138.6159.864.10000111.1S397S395-S397 PolarHBondContact O-N 2.71Å
396N34.3Very low34.7Very low175 Ų175156.4 Ų156.494%0.93681%0.813SS**  trans-60.2127.3-175.9-97-29.6000113.2
397S30.7Very low34.9Very low102 Ų102151.5 Ų151.571%0.71381%0.808SS**  trans-156.1116.4142-162.40000111.4S395 R399S395-S397 PolarHBondContact O-N 2.71Å; S397-R399 PolarHBondContact O-N 2.92Å
398T41Very low35.3Very low136 Ų136153.5 Ų153.583%0.83483%0.832SS**  trans-63.4111.717339.60000111.6
399R37.3Very low35.4Very low218 Ų218154.8 Ų154.882%0.82383%0.832SS**  trans-141105.4155.1-80.1-159.9145.991.21.1111.9S397S397-R399 PolarHBondContact O-N 2.92Å
400E41.5Very low35.6Very low186 Ų186152.6 Ų152.687%0.86983%0.828SS**  trans-63129.5163.6176.5-177.7-166.300110.5
401L37.1Very low35.9Very low146 Ų146155.7 Ų155.776%0.76483%0.829SS**  trans-159.381.7169.8-112.8143000113.1
402V33.3Very low36.2Very low108 Ų108151.4 Ų151.466%0.65583%0.827SS**  trans32103.2140.8-171.30000117.3R404V402-R404 HydrophobicContact CG1-CG 4.45Å; V402-R404 PolarHBondContact O-N 3.28Å; V402-R404 VanDerWaalsContact O-N 3.16Å
403M34.5Very low36.7Very low187 Ų187153.6 Ų153.692%0.92183%0.828SS**  trans-62.7111.4157.7-86.4-174.1-84.700110.1V405M403-V405 PolarHBondContact O-N 3.42Å
404R35.8Very low37.1Very low212 Ų212152.6 Ų152.680%0.883%0.831SS**  trans-81.9102165.6-79.1-169.1171.3102.6-2109.9V402 T406V402-R404 HydrophobicContact CG1-CG 4.45Å; V402-R404 PolarHBondContact O-N 3.28Å; V402-R404 VanDerWaalsContact O-N 3.16Å; R404-T406 PolarHBondContact O-N 3.28Å
405V39.2Very low37Very low118 Ų118155.1 Ų155.172%0.71584%0.836SS**  trans-68.6111.4161.3174.50000108M403 T407M403-V405 PolarHBondContact O-N 3.42Å; V405-T407 HydrophobicContact CG1-CG2 4.02Å
406T43Very low37.5Very low132 Ų132158 Ų15881%0.8184%0.836SS**  trans-100.987.216951.10000109.9R404R404-T406 PolarHBondContact O-N 3.28Å
407T40.2Very low37.8Very low117 Ų117156.6 Ų156.672%0.71883%0.828SS**  trans-95.1119.3156.848.90000108.7V405V405-T407 HydrophobicContact CG1-CG2 4.02Å
408V40.3Very low38.5Very low217 Ų217161.5 Ų161.5100%1.31584%0.839SS**  -166.10115.1172.20000106.7

Retrieved 408 of 408 residues in 323.7 ms (Link to these results)