A0A077Z4F7_TRITR Loading...

Ras domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4F7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 426 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
1M40.2Very low41.9Very low226 Ų226165.4 Ų165.4100%1.11385%0.845SS**  0137.40-76-174.1176.600108.2
2R41.4Very low41.5Very low225 Ų225158 Ų15885%0.84984%0.841SS**  trans58.8146.1160.8-58.5174.7-173.1172.91.9118
3N39.2Very low41.2Very low150 Ų150159.9 Ų159.980%0.80284%0.842SS**  cis-165143.4-32.7-110.712.7000107
4N48.1Very low40.7Very low155 Ų155156.7 Ų156.783%0.82984%0.839SS**  trans-68.2156.8157.9-92.35.8000109.2
5P49.1Very low40.4Very low110 Ų110152.9 Ų152.971%0.71483%0.83SS**  -135.1-164.661.443.7-25000112.2
6D41.8Very low39.8Very low128 Ų128156.4 Ų156.468%0.68483%0.827SS**  cis-150.5-165.816.2-140-48000114
7Q42.6Very low39.5Very low166 Ų166156.7 Ų156.778%0.77683%0.828SS**  trans-98.5152.3-163-61.9154.285.700115.2
8L44.6Very low39.3Very low182 Ų182156.5 Ų156.595%0.95382%0.822SS**  trans167133.3138.2-91.9162.2000108.3
9G35.3Very low39.2Very low73 Ų73154.8 Ų154.875%0.75382%0.821SS**  cis159.983.2-9.300000112.8
10E41.5Very low39Very low202 Ų202151.6 Ų151.694%0.94481%0.811SS**  trans-140.8145.8178.2-132.2171-140.600112.5
11K36.8Very low38.9Very low202 Ų202150.3 Ų150.388%0.87881%0.814SS**  trans-106.6101.1-171.5-72177.9177.2175.80111.6
12G37.8Very low38.7Very low77 Ų77144 Ų14479%0.79479%0.791SS**  trans-83.2115.5167.100000111.8S14G12-S14 PolarHBondContact O-N 3.37Å
13E37.5Very low38.5Very low183 Ų183140.9 Ų140.986%0.85578%0.784SS**  trans-75122.7-178.1-63.7-171.7126.900112.4S15E13-S15 VanDerWaalsContact C-N 3.35Å; E13-S15 PolarHBondContact O-N 3.3Å
14S33.8Very low38.7Very low115 Ų115142.4 Ų142.480%0.80478%0.779SS**  trans-77.579.8173.7-74.50000112G12 R16G12-S14 PolarHBondContact O-N 3.37Å; S14-R16 VanDerWaalsContact C-N 3.31Å; S14-R16 PolarHBondContact O-N 3.35Å
15S36Very low38.5Very low100 Ų100143.6 Ų143.670%0.69978%0.776SS**  trans-70.382170.747.30000111.4E13 L17E13-S15 VanDerWaalsContact C-N 3.35Å; E13-S15 PolarHBondContact O-N 3.3Å; S15-L17 PolarHBondContact O-N 3.02Å
16R31.8Very low38.3Very low209 Ų209145 Ų14579%0.78977%0.771SS**  trans-64.189.5174.8-72.3-173.6178-173.50111.4S14 H18S14-R16 VanDerWaalsContact C-N 3.31Å; S14-R16 PolarHBondContact O-N 3.35Å; R16-H18 VanDerWaalsContact C-N 3.32Å; R16-H18 PolarHBondContact O-N 3.12Å
17L34.5Very low39Very low161 Ų161142.5 Ų142.584%0.84376%0.764SS**  trans-69.885.2171.2-68.3178.9000110.7S15 P19S15-L17 PolarHBondContact O-N 3.02Å; L17-P19 WeakPolarHBondContact O-CD 3.42Å
18H36.2Very low39.7Very low153 Ų153140 Ų14071%0.70876%0.756SS**  trans-64120.9164.1-79.2-94.9000109.6R16 S20R16-H18 VanDerWaalsContact C-N 3.32Å; R16-H18 PolarHBondContact O-N 3.12Å; H18-S20 PolarHBondContact O-N 3.07Å; H18-S20 VanDerWaalsContact O-N 3.1Å
19P36.7Very low40.3Very low124 Ų124136.3 Ų136.381%0.80574%0.737SS**  trans-67111.5169.127.7-32.3000108.7L17 S21L17-P19 WeakPolarHBondContact O-CD 3.42Å; P19-S21 PolarHBondContact O-N 3.04Å
20S35.3Very low41.4Very low91 Ų91141.5 Ų141.564%0.63674%0.735SS**  trans-68.1124.4-174.353.10000111.7H18 C22H18-S20 PolarHBondContact O-N 3.07Å; H18-S20 VanDerWaalsContact O-N 3.1Å; S20-C22 PolarHBondContact O-N 3.38Å
21S37Very low42.5Very low124 Ų124136 Ų13687%0.86772%0.715SS**  trans-76.244.1-173.446.10000114P19P19-S21 PolarHBondContact O-N 3.04Å
22C34.8Very low43.8Very low94 Ų94131 Ų13164%0.63570%0.697SS**  trans-110.530.8-165.4-72.80000115.1S20S20-C22 PolarHBondContact O-N 3.38Å
23F37.7Very low45.2Very low159 Ų159130.4 Ų130.470%0.69768%0.68SS**  trans-117.8-8.6-176.3-91.3-83.6000117.4
24R43.1Very low46.6Very low183 Ų183123.7 Ų123.769%0.69166%0.656SS**SBendtrans-85.7-10.5-175.5-86.2-172.5172.6-177-1.9117.4E135R24-E135 IonicContact NH1-OE1 3.22Å; R24-E135 PolarHBondContact NH1-OE1 3.18Å
25K44.6Very low47.7Very low179 Ų179124.9 Ų124.978%0.77865%0.65SS**SBendtrans-84.1-33.8176.1-79.3-172.6173.1-179.10114.3S27 L28K25-S27 VanDerWaalsContact C-N 3.28Å; K25-S27 PolarHBondContact O-N 3.22Å; K25-L28 PolarHBondContact O-N 3.17Å
26K45.9Very low49Very low139 Ų139123.4 Ų123.460%0.60464%0.64SS**Hα-helixtrans-65.1-24-170.8-68.5179178.6174.70114.6Y30K26-Y30 VanDerWaalsContact O-CB 3.27Å; K26-Y30 WeakPolarHBondContact O-CB 3.43Å; K26-Y30 PolarHBondContact O-N 3.41Å
27S54.9Low50.4Low76 Ų76117.6 Ų117.653%0.53163%0.631SS.*Hα-helixtrans-70.8-40.4-18048.10000113K25 Y30 V31K25-S27 VanDerWaalsContact C-N 3.28Å; K25-S27 PolarHBondContact O-N 3.22Å; S27-Y30 PolarHBondContact O-N 3.42Å; S27-V31 WeakPolarHBondContact O-CG2 3.35Å; S27-V31 PolarHBondContact O-N 3.28Å
28L58Low51.2Low115 Ų115115.5 Ų115.560%0.60262%0.621SS**Hα-helixtrans-69.1-45.1179-162.977.9000110.8K25 Y30 V31 I32K25-L28 PolarHBondContact O-N 3.17Å; L28-Y30 VanDerWaalsContact C-N 3.28Å; L28-Y30 PolarHBondContact O-N 3.05Å; L28-V31 PolarHBondContact O-N 3.22Å; L28-I32 HydrophobicContact CD2-CD1 4.21Å; L28-I32 HydrophobicContact CG-CD1 3.95Å; L28-I32 WeakPolarHBondContact O-CG1 3.43Å; L28-I32 PolarHBondContact O-N 3.19Å
29D56.6Low51.5Low104 Ų104116.1 Ų116.156%0.55662%0.617SS**Hα-helixtrans-61.1-37.6176.1-63.7-32.5000111.6S33D29-S33 WeakPolarHBondContact O-CB 3.36Å; D29-S33 PolarHBondContact O-N 2.7Å
30Y60.1Low51.5Low181 Ų181118.8 Ų118.871%0.7162%0.616SS**Hα-helixtrans-65.5-44.2175.2-172.4-96.4000112.3K26 S27 L28 S33 A34K26-Y30 VanDerWaalsContact O-CB 3.27Å; K26-Y30 WeakPolarHBondContact O-CB 3.43Å; K26-Y30 PolarHBondContact O-N 3.41Å; S27-Y30 PolarHBondContact O-N 3.42Å; L28-Y30 VanDerWaalsContact C-N 3.28Å; L28-Y30 PolarHBondContact O-N 3.05Å; Y30-S33 PolarHBondContact O-N 3Å; Y30-A34 WeakPolarHBondContact O-CB 3.31Å; Y30-A34 PolarHBondContact O-N 3.09Å
31V63Low51.4Low86 Ų86123.3 Ų123.352%0.52163%0.627SS.*Hα-helixtrans-65.3-43176.2171.40000111.4S27 L28 A34 M35S27-V31 WeakPolarHBondContact O-CG2 3.35Å; S27-V31 PolarHBondContact O-N 3.28Å; L28-V31 PolarHBondContact O-N 3.22Å; V31-A34 PolarHBondContact O-N 3.35Å; V31-M35 HydrophobicContact CG1-CG 4.31Å; V31-M35 VanDerWaalsContact O-CB 3.3Å; V31-M35 WeakPolarHBondContact O-CB 3.49Å; V31-M35 WeakPolarHBondContact O-CG 3.44Å; V31-M35 PolarHBondContact O-N 3.44Å
32I64.8Low51.4Low99 Ų99126.6 Ų126.651%0.50863%0.625SS.*Hα-helixtrans-64.5-41.2176.4-67.7168.3000110.7L28 M35 S36L28-I32 HydrophobicContact CD2-CD1 4.21Å; L28-I32 HydrophobicContact CG-CD1 3.95Å; L28-I32 WeakPolarHBondContact O-CG1 3.43Å; L28-I32 PolarHBondContact O-N 3.19Å; I32-M35 PolarHBondContact O-N 3.45Å; I32-S36 WeakPolarHBondContact O-CB 3.45Å; I32-S36 PolarHBondContact O-N 3.03Å
33S67.5Low51.4Low64 Ų64128 Ų12845%0.44863%0.633SS.*Hα-helixtrans-63.3-46.9176-175.30000112D29 Y30 M35 S36 S37D29-S33 WeakPolarHBondContact O-CB 3.36Å; D29-S33 PolarHBondContact O-N 2.7Å; Y30-S33 PolarHBondContact O-N 3Å; S33-M35 PolarHBondContact O-N 3.12Å; S33-S36 PolarHBondContact O-N 3.04Å; S33-S36 VanDerWaalsContact O-N 3.17Å; S33-S36 PolarHBondContact O-OG 3.14Å; S33-S37 WeakPolarHBondContact O-CB 3.24Å; S33-S37 PolarHBondContact O-N 2.9Å; S33-S37 PolarHBondContact O-OG 3.32Å
34A66.4Low51.2Low41 Ų41129.9 Ų129.934%0.33964%0.641SS.*Hα-helixtrans-60.9-45.1175.600000112Y30 V31 S36 S37 L38Y30-A34 WeakPolarHBondContact O-CB 3.31Å; Y30-A34 PolarHBondContact O-N 3.09Å; V31-A34 PolarHBondContact O-N 3.35Å; A34-S36 VanDerWaalsContact C-N 3.28Å; A34-S36 PolarHBondContact O-N 3.33Å; A34-S37 PolarHBondContact O-N 3.21Å; A34-S37 VanDerWaalsContact O-N 3.13Å; A34-L38 WeakPolarHBondContact O-CG 3.44Å; A34-L38 PolarHBondContact O-N 3.33Å; A34-L38 VanDerWaalsContact O-N 3.15Å
35M56.5Low51.1Low140 Ų140128.6 Ų128.669%0.6965%0.648SS**Hα-helixtrans-62.1-32.9175.1-71.9-79.1-81.500112.6V31 I32 S33V31-M35 HydrophobicContact CG1-CG 4.31Å; V31-M35 VanDerWaalsContact O-CB 3.3Å; V31-M35 WeakPolarHBondContact O-CB 3.49Å; V31-M35 WeakPolarHBondContact O-CG 3.44Å; V31-M35 PolarHBondContact O-N 3.44Å; I32-M35 PolarHBondContact O-N 3.45Å; S33-M35 PolarHBondContact O-N 3.12Å
36S63.6Low50.8Low69 Ų69131.7 Ų131.748%0.48366%0.655SS.*Hα-helixtrans-74.3-33.2173.679.10000113I32 S33 A34I32-S36 WeakPolarHBondContact O-CB 3.45Å; I32-S36 PolarHBondContact O-N 3.03Å; S33-S36 PolarHBondContact O-N 3.04Å; S33-S36 VanDerWaalsContact O-N 3.17Å; S33-S36 PolarHBondContact O-OG 3.14Å; A34-S36 VanDerWaalsContact C-N 3.28Å; A34-S36 PolarHBondContact O-N 3.33Å
37S61.4Low50.6Low87 Ų87134.8 Ų134.861%0.60867%0.668SS**Hα-helixtrans-75-21.3-178.2-59.80000113.6S33 A34 R39S33-S37 WeakPolarHBondContact O-CB 3.24Å; S33-S37 PolarHBondContact O-N 2.9Å; S33-S37 PolarHBondContact O-OG 3.32Å; A34-S37 PolarHBondContact O-N 3.21Å; A34-S37 VanDerWaalsContact O-N 3.13Å; S37-R39 PolarHBondContact O-N 3.01Å; S37-R39 VanDerWaalsContact O-N 3.16Å
38L51.1Low49.6Very low117 Ų117141.1 Ų141.161%0.61369%0.686SS**THydrogen-bonded Turntrans-7815179.9-78.1164.1000114.8A34 F40A34-L38 WeakPolarHBondContact O-CG 3.44Å; A34-L38 PolarHBondContact O-N 3.33Å; A34-L38 VanDerWaalsContact O-N 3.15Å; L38-F40 WeakPolarHBondContact O-CD2 3.19Å; L38-F40 PolarHBondContact O-N 2.87Å; L38-F40 VanDerWaalsContact O-N 3.15Å
39R42Very low48.7Very low166 Ų166143.4 Ų143.463%0.62670%0.698SS**  trans-78.498.2173.1-69.4-169.7-174-1805.2111.3S37 W117S37-R39 PolarHBondContact O-N 3.01Å; S37-R39 VanDerWaalsContact O-N 3.16Å; R39-W117 VanDerWaalsContact NH2-CH2 3.31Å
40F38.1Very low47.7Very low181 Ų181143.2 Ų143.279%0.79471%0.705SS**  trans-58.6155177.5-80.7-97.2000114.5L38L38-F40 WeakPolarHBondContact O-CD2 3.19Å; L38-F40 PolarHBondContact O-N 2.87Å; L38-F40 VanDerWaalsContact O-N 3.15Å
41H32.8Very low46.6Very low186 Ų186142.8 Ų142.886%0.86171%0.714SS**  trans81.8114.7165.4-100.9-79.9000120.8
42K37Very low45.3Very low193 Ų193142.7 Ų142.784%0.83972%0.722SS**  trans-75.7157.4161.6-80.7176.2170.7172.60111.3
43P33.8Very low43.8Very low123 Ų123146.1 Ų146.180%0.79974%0.736SS**  trans-92.8154.3-167.936.4-36.9000114.8
44K35.2Very low42.4Very low199 Ų199147 Ų14787%0.86575%0.747SS**  trans-162.6129.5150.5-106.2170.3-176.3177.60108.4
45D39.9Very low41Very low156 Ų156149.3 Ų149.383%0.83477%0.766SS**  178.3140.4126.7-95.5-9.8000112.4
46R39Very low40.8Very low244 Ų244150.4 Ų150.492%0.92177%0.774SS**  trans-85138.6168.5-75.7173.7163.6174.4-6108.9
47K40.4Very low39.9Very low203 Ų203151.8 Ų151.888%0.88378%0.782SS**  trans-121.9132.8158.4-70.6-170.7176.5-1780109.8
48K35.9Very low38.9Very low209 Ų209154.6 Ų154.691%0.90979%0.785SS**  trans-132.7106.4-176.1-173.1-170.7-177.3-168.80108.1
49L38.2Very low38.4Very low163 Ų163154.8 Ų154.885%0.85379%0.791SS**  trans-151146.4176.3-71.1176000107
50S35.4Very low38.3Very low100 Ų100151.7 Ų151.770%0.69980%0.795SS**  cis-176.2140.7-15.146.30000108.4
51L36.8Very low38.5Very low173 Ų173148.7 Ų148.791%0.90680%0.797SS**  trans-160.7137.2164.8-15376.2000111.9
52A36.3Very low39Very low84 Ų84144.9 Ų144.969%0.69479%0.791SS**  trans61.7154.3168.600000116.9
53E33.7Very low39.3Very low171 Ų171140.1 Ų140.180%0.79978%0.782SS**  cis-156.5151.312.5-165.748.6-90.400112.5
54A37.2Very low39.7Very low82 Ų82144.6 Ų144.668%0.67878%0.783SS**  trans51.9154.2156.700000126.7
55A37.9Very low40Very low89 Ų89146.6 Ų146.674%0.73679%0.785SS**  trans68.5119161.400000119.8
56L52.1Low40.2Very low164 Ų164143.9 Ų143.986%0.85978%0.778SS**  cis100.5152.335.5-70.9173.9000113.3
57P44.9Very low40.3Very low98 Ų98136.9 Ų136.964%0.63677%0.767SS**  -139.3-152.7-6636.5-13.8000114.6
58E39.8Very low40.5Very low145 Ų145132.7 Ų132.768%0.67876%0.763SS**  trans96.4110.5159.7-57.8-46.198.900124.9
59T40.5Very low41.2Very low122 Ų122128 Ų12875%0.74875%0.754SS**  trans67.1159.8140.667.10000122.2
60S39.7Very low41.4Very low100 Ų100125.4 Ų125.470%0.69975%0.749SS**  cis-167.9169.8-36.367.80000112.5
61S41.8Very low41.7Very low119 Ų119125.9 Ų125.983%0.83275%0.748SS**  trans73.6178.2168.683.80000119.4
62S43.1Very low41.8Very low106 Ų106125.1 Ų125.174%0.74175%0.745SS**  -158.1171.8-84.283.80000109.6
63S43.9Very low41.8Very low93 Ų93129.7 Ų129.765%0.6575%0.752SS**  cis-153-135.1-13.835.40000108.1
64R43Very low42.4Very low217 Ų217125.7 Ų125.782%0.81974%0.741SS**  cis-172119.60.1-142.9179.8-151-161.57112.3
65R40.7Very low42.5Very low240 Ų240130.8 Ų130.891%0.90674%0.744SS**  trans63.5162.7155.5-74.4-177.9179.7-155.6-1.7119.6
66S45.1Very low42.8Very low99 Ų99135.4 Ų135.469%0.69274%0.743SS**  cis-167.6160.6-10.943.50000115.8
67S41.1Very low42.1Very low98 Ų98134.2 Ų134.269%0.68574%0.738SS**  trans65.6108.7141.258.50000125.9
68S44.2Very low41.7Very low114 Ų114141 Ų14180%0.79775%0.751SS**  48.2166.697.3-53.40000123.5
69P50.3Low41.6Very low111 Ų111139.6 Ų139.672%0.72176%0.757SS**  cis-147.8-166.5-40.643-23.6000116.9
70S41.2Very low41.8Very low108 Ų108139.6 Ų139.676%0.75576%0.759SS**  trans79.3160.2151.568.80000120.1
71T42.5Very low42.1Very low110 Ų110140.8 Ų140.868%0.67577%0.768SS**  cis-160.3141.725.6-54.20000116.3
72N39.2Very low42Very low158 Ų158141.7 Ų141.785%0.84577%0.77SS**  trans61161.5151.5-64.4-4.6000127.9
73Q36.9Very low41.9Very low180 Ų180140.6 Ų140.684%0.84178%0.776SS**  trans-115.8-143.3-179.9-50.1178.8-30.300110.3
74P46Very low41.6Very low87 Ų87139.7 Ų139.757%0.56578%0.782SS**  cis-139.2-179.1-21.124.22.1000116.7
75Y39.5Very low41.3Very low188 Ų188140.6 Ų140.674%0.73779%0.787SS**  150.5152.8124.9-90.7-70.6000119.4
76Y43.3Very low41.1Very low186 Ų186135 Ų13573%0.72978%0.784SS**  trans76.792.6156.1-62.1-54.7000125.2
77N37Very low40.5Very low139 Ų139138.9 Ų138.974%0.74379%0.789SS**  37121.6118.5-55.2-8.5000122.9
78R36.2Very low40.5Very low241 Ų241141.9 Ų141.991%0.90980%0.798SS**  174.8152.698.3-94.6-167.3-177.2-142.71.5113.9
79S38.2Very low40.2Very low116 Ų116142.4 Ų142.481%0.81179%0.787SS**  trans-149.1-178.6169.9-52.70000109
80P45.6Very low39.7Very low122 Ų122147.3 Ų147.379%0.79279%0.791SS**  -122.5178.6-77.939.5-25.4000112.8
81S45.4Very low39.5Very low125 Ų125147.2 Ų147.287%0.87479%0.788SS**  trans-140.2137.3174.2-58.40000112.6
82P40.2Very low39Very low137 Ų137151.9 Ų151.989%0.8980%0.8SS**  trans-112.6158.8176.939.3-31.7000114.7
83G40.7Very low38.9Very low83 Ų83155.9 Ų155.986%0.85680%0.803SS**  trans135.9147.1157.800000116.3
84G36.8Very low39.1Very low75 Ų75152.9 Ų152.977%0.77380%0.802SS**  trans117.195.7159.700000118
85Y37.3Very low38.6Very low235 Ų235157.8 Ų157.892%0.92281%0.809SS**  trans-1.5132.8153.3-65.6-96.1000120.8
86S35.6Very low38.5Very low123 Ų123154.2 Ų154.286%0.8681%0.811SS**  -159.2164.4103.5-160.80000111.9
87F34.1Very low38.2Very low180 Ų180153.6 Ų153.679%0.78981%0.809SS**  trans-91.8141.1-179.9-143.1-103.2000110.2
88D40.6Very low38.5Very low162 Ų162152.1 Ų152.187%0.86681%0.81SS**  trans-162.1164.4142-130.2-33.5000112.8
89E37.9Very low38.7Very low124 Ų124148.2 Ų148.258%0.57981%0.806SS**  trans-100.2176.4-159.7-114.2-173.8-15700116.7
90R38.5Very low39.1Very low214 Ų214147.7 Ų147.781%0.80880%0.8SS**  trans84.2150.9155.4-76.4154.1-149.4-128-2.9119.3
91P38.8Very low38.8Very low106 Ų106149.5 Ų149.569%0.68880%0.802SS**  -136.3-174.2-121.344.1-27.8000116.9
92F30.6Very low38.7Very low208 Ų208151.8 Ų151.891%0.91280%0.796SS**  trans42.592.7161.9-76.7-73.4000118.6
93R38.3Very low38.6Very low243 Ų243154.6 Ų154.692%0.91780%0.795SS**  trans-90.1132.1151.5-97.8-174.3170.9-169.6-2.7110.8
94S40.3Very low38.6Very low116 Ų116158.5 Ų158.581%0.81179%0.79SS**  trans-64.4138.7173.845.70000111.8S96S94-S96 PolarHBondContact O-N 3.43Å
95R34.8Very low38.8Very low191 Ų191163.4 Ų163.472%0.72179%0.793SS**  trans-90.697177.1-77.1-173.8176179.2-0.1111.3Y97R95-Y97 HydrophobicContact CB-CD2 4.03Å; R95-Y97 HydrophobicContact CB-CE1 4.47Å; R95-Y97 HydrophobicContact CB-CE2 3.71Å; R95-Y97 VanDerWaalsContact CD-CZ 3.44Å; R95-Y97 WeakPolarHBondContact CD-OH 3.47Å; R95-Y97 PolarHBondContact NH1-OH 3.46Å; R95-Y97 WeakPolarHBondContact O-CD2 3.31Å; R95-Y97 PolarHBondContact O-N 2.89Å; R95-Y97 VanDerWaalsContact O-N 3.1Å
96S38.2Very low39.2Very low112 Ų112156.9 Ų156.978%0.78379%0.788SS**  trans-69.996159.4-55.30000109.2S94 S98S94-S96 PolarHBondContact O-N 3.43Å; S96-S98 PolarHBondContact O-N 3.22Å
97Y37.6Very low39.3Very low174 Ų174159.6 Ų159.668%0.68279%0.786SS**  trans-75.790.2-179.9-72.5-81.2000111.8R95R95-Y97 HydrophobicContact CB-CD2 4.03Å; R95-Y97 HydrophobicContact CB-CE1 4.47Å; R95-Y97 HydrophobicContact CB-CE2 3.71Å; R95-Y97 VanDerWaalsContact CD-CZ 3.44Å; R95-Y97 WeakPolarHBondContact CD-OH 3.47Å; R95-Y97 PolarHBondContact NH1-OH 3.46Å; R95-Y97 WeakPolarHBondContact O-CD2 3.31Å; R95-Y97 PolarHBondContact O-N 2.89Å; R95-Y97 VanDerWaalsContact O-N 3.1Å
98S42.1Very low39.9Very low108 Ų108162.5 Ų162.576%0.75579%0.792SS**PPolyproline II helixtrans-81.5122157.149.50000109.5S96 P100S96-S98 PolarHBondContact O-N 3.22Å; S98-P100 WeakPolarHBondContact O-CD 3.35Å
99L42Very low39.9Very low159 Ų159165.4 Ų165.483%0.83280%0.797SS**PPolyproline II helixtrans-76.3120.2179.2-72.1174.3000110.6L101L99-L101 PolarHBondContact O-N 3.06Å
100P44.6Very low40.5Very low105 Ų105164.3 Ų164.368%0.68280%0.803SS**PPolyproline II helixtrans-77.4118.7176.6-1128.1000110.6S98 K102S98-P100 WeakPolarHBondContact O-CD 3.35Å; P100-K102 HydrophobicContact CB-CG 4.5Å; P100-K102 PolarHBondContact O-N 2.67Å
101L40.3Very low41Very low160 Ų160158.7 Ų158.784%0.83880%0.802SS**  trans-71.868.9172.2-73.8173000111.8L99 F103L99-L101 PolarHBondContact O-N 3.06Å; L101-F103 PolarHBondContact O-N 2.82Å; L101-F103 VanDerWaalsContact O-N 3.08Å
102K44Very low41.4Very low173 Ų173163.8 Ų163.875%0.75281%0.808SS**  trans-80.283172.9-78.1-167.9173.1-173.50111.5P100 H104P100-K102 HydrophobicContact CB-CG 4.5Å; P100-K102 PolarHBondContact O-N 2.67Å; K102-H104 VanDerWaalsContact C-N 3.31Å; K102-H104 PolarHBondContact O-N 3.2Å
103F36.7Very low42.3Very low196 Ų196163.1 Ų163.186%0.8680%0.799SS**  trans-66.190157.5-87-88.7000109.7L101L101-F103 PolarHBondContact O-N 2.82Å; L101-F103 VanDerWaalsContact O-N 3.08Å
104H42Very low43Very low164 Ų164163.2 Ų163.276%0.75980%0.801SS**  trans-100.3133.4165.9-103.8-76.6000111.4K102K102-H104 VanDerWaalsContact C-N 3.31Å; K102-H104 PolarHBondContact O-N 3.2Å
105Q40.4Very low43.9Very low178 Ų178161 Ų16183%0.83279%0.786SS**  trans-70.7134.2-179-63154.8-24.800110.7
106A45.2Very low45.1Very low98 Ų98156.1 Ų156.181%0.8177%0.774SS**  trans-138.8113.2165.900000109.2R108A106-R108 PolarHBondContact O-N 3.36Å; A106-R108 VanDerWaalsContact O-N 3.1Å
107H38.3Very low45.9Very low180 Ų180158.9 Ų158.983%0.83377%0.767SS**  trans-73101.2-175.4-80.3-117000112
108R46.2Very low46.9Very low241 Ų241155.6 Ų155.691%0.90977%0.768SS**  trans-135.4112.7152.3-74-165.4172.6-178.3-2110.7A106 S110A106-R108 PolarHBondContact O-N 3.36Å; A106-R108 VanDerWaalsContact O-N 3.1Å; R108-S110 VanDerWaalsContact C-N 3.29Å; R108-S110 PolarHBondContact O-N 2.89Å
109K41.2Very low47.7Very low223 Ų223158.1 Ų158.197%0.9777%0.771SS**  trans-7380.8172.9-67.9-177.1179179.40109.7
110S51.4Low48.2Very low102 Ų102158.4 Ų158.471%0.71377%0.772SS**  trans-97.1129164.4-172.60000109.3R108 R112R108-S110 VanDerWaalsContact C-N 3.29Å; R108-S110 PolarHBondContact O-N 2.89Å; S110-R112 PolarHBondContact O-N 3.05Å
111A47.3Very low48.8Very low95 Ų95164.3 Ų164.379%0.78578%0.781SS**  trans-77.882.8-177.800000110.7R113A111-R113 PolarHBondContact O-N 3.23Å
112R48.2Very low49.6Very low214 Ų214161.6 Ų161.681%0.80878%0.775SS**  trans-55.4124.9170-64.8-176.7-176.2-120.83.1109.2S110S110-R112 PolarHBondContact O-N 3.05Å
113R49Very low50.1Low193 Ų193155.7 Ų155.773%0.72876%0.755SS**  trans-78153.5171.5-69176.4171.6177-2.4108.9A111 S115 D116A111-R113 PolarHBondContact O-N 3.23Å; R113-S115 WeakPolarHBondContact CB-OG 3.4Å; R113-S115 PolarHBondContact O-N 2.93Å; R113-D116 PolarHBondContact N-OD2 3.15Å; R113-D116 WeakPolarHBondContact O-CB 3.32Å; R113-D116 PolarHBondContact O-N 3.14Å
114Y53.2Low51.1Low246 Ų246148.9 Ų148.997%0.96573%0.731SS**THydrogen-bonded Turntrans-64.7-4.5172.6-110-93.3000113.7
115S58.5Low51.7Low70 Ų70147.5 Ų147.549%0.4973%0.725SS.*THydrogen-bonded Turntrans-81.2-17.5170.149.70000114.3R113 W117R113-S115 WeakPolarHBondContact CB-OG 3.4Å; R113-S115 PolarHBondContact O-N 2.93Å; S115-W117 VanDerWaalsContact C-N 3.32Å; S115-W117 VanDerWaalsContact O-CD1 3.26Å; S115-W117 PolarHBondContact O-N 2.94Å
116D59.8Low52.4Low87 Ų87143.6 Ų143.647%0.46571%0.713SS.*  trans-86.175.5-162.8-56.2-11.7000110.4R113R113-D116 PolarHBondContact N-OD2 3.15Å; R113-D116 WeakPolarHBondContact O-CB 3.32Å; R113-D116 PolarHBondContact O-N 3.14Å
117W56.6Low52.7Low170 Ų170144 Ų14464%0.64470%0.698SS**PPolyproline II helixtrans-52.1136.9169.8-71.986.6000109.7R39 S115 I119R39-W117 VanDerWaalsContact NH2-CH2 3.31Å; S115-W117 VanDerWaalsContact C-N 3.32Å; S115-W117 VanDerWaalsContact O-CD1 3.26Å; S115-W117 PolarHBondContact O-N 2.94Å; W117-I119 PolarHBondContact O-N 3.34Å
118P58.1Low53.4Low106 Ų106139.8 Ų139.869%0.68868%0.679SS**PPolyproline II helixtrans-58.5116.3174.325.5-32.8000107.7L120P118-L120 PolarHBondContact O-N 3.32Å
119I58.8Low53.6Low161 Ų161136.6 Ų136.683%0.82667%0.667SS**PPolyproline II helixtrans-52.2117.5179-60.4173.3000107W117 R121W117-I119 PolarHBondContact O-N 3.34Å; I119-R121 PolarHBondContact O-N 3.48Å
120L51.7Low54.1Low165 Ų165132.7 Ų132.786%0.86465%0.65SS**  trans-54.9111174-82.9161.3000106.9P118 S122P118-L120 PolarHBondContact O-N 3.32Å; L120-S122 PolarHBondContact O-N 3.45Å
121R58Low54.2Low228 Ų228134.2 Ų134.286%0.8665%0.65SS**PPolyproline II helixtrans-57.8139.6168.6-60.3-179.2-169.5-102.64.5106.1I119 P123I119-R121 PolarHBondContact O-N 3.48Å; R121-P123 VanDerWaalsContact O-N 3.1Å
122S56.8Low54.5Low103 Ų103134.7 Ų134.772%0.7264%0.643SS**PPolyproline II helixtrans-48.9122.7165.849.90000107.7L120 S124L120-S122 PolarHBondContact O-N 3.45Å; S122-S124 PolarHBondContact O-N 2.71Å
123P55.1Low54.7Low49 Ų49128 Ų12832%0.31862%0.623SS.*PPolyproline II helixtrans-53.6135.3-177.119-30.6000108.9R121 E127 Q128 L131R121-P123 VanDerWaalsContact O-N 3.1Å; P123-E127 HydrophobicContact CB-CB 3.69Å; P123-Q128 HydrophobicContact CB-CG 4.06Å; P123-Q128 HydrophobicContact CG-CG 3.85Å; P123-Q128 WeakPolarHBondContact O-CG 3.08Å; P123-L131 HydrophobicContact CB-CD1 4.14Å; P123-L131 HydrophobicContact CG-CD1 4.1Å
124S58Low54.8Low53 Ų53122 Ų12237%0.37161%0.609SS.*PPolyproline II helixtrans-57.2159.9177.862.70000110.5S122 V126 E127 Q128S122-S124 PolarHBondContact O-N 2.71Å; S124-V126 CarbonylContact O-C 3.54Å; S124-V126 PolarHBondContact O-N 2.87Å; S124-E127 WeakPolarHBondContact CB-OE2 3.36Å; S124-E127 PolarHBondContact N-OE2 2.89Å; S124-E127 CarbonylContact O-C 3.59Å; S124-E127 PolarHBondContact O-N 2.81Å; S124-E127 WeakPolarHBondContact OG-CG 3.41Å; S124-E127 PolarHBondContact OG-N 3.4Å; S124-E127 PolarHBondContact OG-OE2 3.2Å; S124-Q128 PolarHBondContact O-N 3.37Å
125H53.2Low54.9Low136 Ų136116.5 Ų116.563%0.6359%0.592SS**Hα-helixtrans-57.2-17.4176.5-163.7-55.2000113R129H125-R129 PolarHBondContact O-N 3.22Å
126V55Low54.9Low95 Ų95117.2 Ų117.258%0.57660%0.597SS**Hα-helixtrans-78.9-52.1170.5-179.20000111S124 Q128 R129 F130S124-V126 CarbonylContact O-C 3.54Å; S124-V126 PolarHBondContact O-N 2.87Å; V126-Q128 VanDerWaalsContact C-N 3.29Å; V126-Q128 PolarHBondContact O-N 2.77Å; V126-R129 WeakPolarHBondContact O-CB 3.49Å; V126-R129 PolarHBondContact O-N 3.45Å; V126-R129 VanDerWaalsContact O-N 3.11Å; V126-F130 HydrophobicContact CG1-CD2 4.18Å; V126-F130 HydrophobicContact CG1-CE2 3.86Å; V126-F130 VanDerWaalsContact O-CD2 3.27Å; V126-F130 WeakPolarHBondContact O-CD2 3.33Å; V126-F130 PolarHBondContact O-N 3.48Å
127E53.2Low54.9Low108 Ų108115.9 Ų115.951%0.50560%0.598SS.*Hα-helixtrans-62.3-35.8176.6-69.1157.312200112.1P123 S124 F130 L131P123-E127 HydrophobicContact CB-CB 3.69Å; S124-E127 WeakPolarHBondContact CB-OE2 3.36Å; S124-E127 PolarHBondContact N-OE2 2.89Å; S124-E127 CarbonylContact O-C 3.59Å; S124-E127 PolarHBondContact O-N 2.81Å; S124-E127 WeakPolarHBondContact OG-CG 3.41Å; S124-E127 PolarHBondContact OG-N 3.4Å; S124-E127 PolarHBondContact OG-OE2 3.2Å; E127-F130 PolarHBondContact O-N 2.63Å; E127-L131 WeakPolarHBondContact O-CG 3.39Å; E127-L131 PolarHBondContact O-N 2.91Å
128Q52.8Low55.2Low91 Ų91114.2 Ų114.243%0.42559%0.593SS.*Hα-helixtrans-60.1-44.9171.4-74.5179.4-35.100111.5P123 S124 V126 F130 L131 T132P123-Q128 HydrophobicContact CB-CG 4.06Å; P123-Q128 HydrophobicContact CG-CG 3.85Å; P123-Q128 WeakPolarHBondContact O-CG 3.08Å; S124-Q128 PolarHBondContact O-N 3.37Å; V126-Q128 VanDerWaalsContact C-N 3.29Å; V126-Q128 PolarHBondContact O-N 2.77Å; Q128-F130 VanDerWaalsContact C-N 3.25Å; Q128-F130 PolarHBondContact O-N 3.18Å; Q128-L131 CarbonylContact O-C 3.53Å; Q128-L131 PolarHBondContact O-N 3.37Å; Q128-T132 WeakPolarHBondContact O-CG2 3.47Å; Q128-T132 PolarHBondContact O-N 2.95Å; Q128-T132 PolarHBondContact O-OG1 3.28Å; Q128-T132 VanDerWaalsContact O-OG1 3.1Å
129R50.7Low55.6Low174 Ų174111.6 Ų111.666%0.65757%0.569SS**Hα-helixtrans-59.5-33.7174.4-87.1-177.3168-175.9-3.9113.1H125 V126 L133H125-R129 PolarHBondContact O-N 3.22Å; V126-R129 WeakPolarHBondContact O-CB 3.49Å; V126-R129 PolarHBondContact O-N 3.45Å; V126-R129 VanDerWaalsContact O-N 3.11Å; R129-L133 WeakPolarHBondContact O-CG 3.38Å; R129-L133 PolarHBondContact O-N 3.2Å
130F51.2Low56.2Low140 Ų140104.9 Ų104.961%0.61453%0.534SS*.Hα-helixtrans-73.8-30.1173.4-75.9-71.5000113.3V126 E127 Q128 L133V126-F130 HydrophobicContact CG1-CD2 4.18Å; V126-F130 HydrophobicContact CG1-CE2 3.86Å; V126-F130 VanDerWaalsContact O-CD2 3.27Å; V126-F130 WeakPolarHBondContact O-CD2 3.33Å; V126-F130 PolarHBondContact O-N 3.48Å; E127-F130 PolarHBondContact O-N 2.63Å; Q128-F130 VanDerWaalsContact C-N 3.25Å; Q128-F130 PolarHBondContact O-N 3.18Å; F130-L133 HydrophobicContact CD1-CD1 4.38Å
131L52.2Low57.4Low135 Ų13599.5 Ų99.571%0.70750%0.504SS*.Hα-helixtrans-81.6-23.4175.7-68.6168.3000113.2P123 E127 Q128P123-L131 HydrophobicContact CB-CD1 4.14Å; P123-L131 HydrophobicContact CG-CD1 4.1Å; E127-L131 WeakPolarHBondContact O-CG 3.39Å; E127-L131 PolarHBondContact O-N 2.91Å; Q128-L131 CarbonylContact O-C 3.53Å; Q128-L131 PolarHBondContact O-N 3.37Å
132T53.5Low58.3Low104 Ų10489 Ų8964%0.63847%0.465SS*.THydrogen-bonded Turntrans-108.631.4177.270.50000112.5Q128Q128-T132 WeakPolarHBondContact O-CG2 3.47Å; Q128-T132 PolarHBondContact O-N 2.95Å; Q128-T132 PolarHBondContact O-OG1 3.28Å; Q128-T132 VanDerWaalsContact O-OG1 3.1Å
133L54Low59.6Low74 Ų7484.2 Ų84.239%0.38743%0.431SS..PPolyproline II helixtrans-63134.7169.2-70.6173.6000109.3R129 F130 Y139R129-L133 WeakPolarHBondContact O-CG 3.38Å; R129-L133 PolarHBondContact O-N 3.2Å; F130-L133 HydrophobicContact CD1-CD1 4.38Å; L133-Y139 HydrophobicContact CB-CE2 4.43Å; L133-Y139 HydrophobicContact CD2-CE2 4.07Å
134P51.2Low60.8Low67 Ų6782.6 Ų82.644%0.43542%0.421SS..PPolyproline II helixtrans-48.9156.7161.1-27.734.7000111.7S136 Y138 Y139P134-S136 PolarHBondContact O-N 3.22Å; P134-Y138 HydrophobicContact CB-CD2 4.04Å; P134-Y139 HydrophobicContact CB-CE2 4.38Å; P134-Y139 HydrophobicContact CG-CE2 4.44Å
135E54.9Low62Low130 Ų13080.2 Ų80.261%0.60740%0.404SS*.PPolyproline II helixtrans-47.5141.7-175.4-81.4-1599600112.5R24 A137 Y138R24-E135 IonicContact NH1-OE1 3.22Å; R24-E135 PolarHBondContact NH1-OE1 3.18Å; E135-A137 PolarHBondContact O-N 3.21Å; E135-Y138 WeakPolarHBondContact O-CD2 3.2Å; E135-Y138 PolarHBondContact O-N 3.2Å
136S57.7Low63.4Low86 Ų8674 Ų7460%0.60138%0.376SS*.G310 helixtrans-60.1-7-171.966.30000115P134 Y138 Y139P134-S136 PolarHBondContact O-N 3.22Å; S136-Y138 PolarHBondContact O-N 3.32Å; S136-Y139 PolarHBondContact O-N 3.33Å
137A61Low64.6Low59 Ų5971.3 Ų71.349%0.48836%0.36SS..G310 helixtrans-62.7-23167.200000113.6E135 R163E135-A137 PolarHBondContact O-N 3.21Å; A137-R163 VanDerWaalsContact O-CD 3.23Å; A137-R163 WeakPolarHBondContact O-CD 3.47Å; A137-R163 VanDerWaalsContact O-CZ 3.25Å; A137-R163 PolarHBondContact O-NE 2.79Å; A137-R163 PolarHBondContact O-NH1 2.67Å; A137-R163 VanDerWaalsContact O-NH1 3.12Å
138Y62.5Low66Low134 Ų13469.2 Ų69.253%0.52535%0.352SS..G310 helixtrans-88.9-9.5179.8-69.9-72.2000114.6P134 E135 S136 H162 R163P134-Y138 HydrophobicContact CB-CD2 4.04Å; E135-Y138 WeakPolarHBondContact O-CD2 3.2Å; E135-Y138 PolarHBondContact O-N 3.2Å; S136-Y138 PolarHBondContact O-N 3.32Å; Y138-H162 WeakPolarHBondContact O-CA 3.39Å; Y138-H162 PolarHBondContact O-CD2 3.19Å; Y138-H162 VanDerWaalsContact O-CD2 3.24Å; Y138-R163 PolarHBondContact O-N 3.36Å
139Y65.6Low67.3Low51 Ų5173.4 Ų73.420%0.238%0.378CS..EExtended strand (participates in β ladder)trans-119.6147.7-178.1-66.6-85.8000112L133 P134 S136 V161 H162 R163L133-Y139 HydrophobicContact CB-CE2 4.43Å; L133-Y139 HydrophobicContact CD2-CE2 4.07Å; P134-Y139 HydrophobicContact CB-CE2 4.38Å; P134-Y139 HydrophobicContact CG-CE2 4.44Å; S136-Y139 PolarHBondContact O-N 3.33Å; Y139-V161 CarbonylContact C-O 3.52Å; Y139-V161 VanDerWaalsContact CA-O 3.27Å; Y139-V161 WeakPolarHBondContact CA-O 3.01Å; Y139-H162 HydrophobicContact CD1-CB 4.26Å; Y139-H162 HydrophobicContact CE1-CB 3.98Å; Y139-H162 AromaticContact CE1-CD2 3.8Å; Y139-H162 AromaticContact CZ-CD2 3.76Å; Y139-R163 PolarHBondContact O-NE 2.87Å; Y139-R163 PolarHBondContact O-NH2 2.86Å
140Q72.5Confident68.5Low20 Ų2071.4 Ų71.49%0.09338%0.376CS..EExtended strand (participates in β ladder)trans-117.5131.1169.4-178.3165.4-5.700109.2V142 Y160 V161 R163Q140-V142 HydrophobicContact CG-CG2 4.16Å; Q140-V142 PolarHBondContact O-N 3.09Å; Q140-Y160 CarbonylContact O-C 3.59Å; Q140-Y160 WeakPolarHBondContact O-CA 3.37Å; Q140-V161 PolarHBondContact N-O 2.98Å; Q140-V161 PolarHBondContact O-N 2.89Å; Q140-R163 HydrophobicContact CB-CG 4.36Å
141K75.6Confident69.7Low53 Ų5366.1 Ų66.123%0.2336%0.36CS..EExtended strand (participates in β ladder)trans-72.5122.7170.5-176.6-172.7172.8-162.60108.4F158 C159 Y160 D235K141-F158 HydrophobicContact CD-CD1 4.18Å; K141-F158 HydrophobicContact CD-CG 4.4Å; K141-F158 HydrophobicContact CG-CB 3.97Å; K141-F158 HydrophobicContact CG-CD1 3.81Å; K141-F158 HydrophobicContact CG-CG 4.07Å; K141-C159 WeakPolarHBondContact CA-O 3.46Å; K141-Y160 HydrophobicContact CB-CD1 4.19Å; K141-Y160 HydrophobicContact CB-CE1 3.8Å; K141-Y160 HydrophobicContact CG-CE1 4.24Å; K141-D235 WeakPolarHBondContact CB-OD2 3.48Å; K141-D235 WeakPolarHBondContact CD-OD2 3.4Å
142V78.2Confident71Confident7 Ų763.1 Ų63.14%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-125135.1-178173.20000108.9Q140 F158 C159 V161 L253Q140-V142 HydrophobicContact CG-CG2 4.16Å; Q140-V142 PolarHBondContact O-N 3.09Å; V142-F158 CarbonylContact O-C 3.59Å; V142-F158 VanDerWaalsContact O-CA 3.32Å; V142-F158 WeakPolarHBondContact O-CA 3.37Å; V142-C159 PolarHBondContact N-O 2.73Å; V142-C159 PolarHBondContact O-N 2.76Å; V142-V161 HydrophobicContact CB-CG2 3.99Å; V142-V161 HydrophobicContact CG2-CB 4.2Å; V142-V161 HydrophobicContact CG2-CG2 3.8Å; V142-L253 HydrophobicContact CG1-CB 4.07Å
143K82.8Confident72.4Confident2 Ų259 Ų591%0.00932%0.319CS..EExtended strand (participates in β ladder)trans-78.1133.8178.4-171.3139.8152142.10109.8F145 E155 F158 F232 L253 E362K143-F145 HydrophobicContact CB-CE2 4.41Å; K143-F145 HydrophobicContact CG-CE2 3.93Å; K143-F145 HydrophobicContact CG-CZ 3.98Å; K143-E155 VanDerWaalsContact CE-OE1 3.25Å; K143-E155 WeakPolarHBondContact CE-OE1 3.22Å; K143-E155 VanDerWaalsContact CE-OE2 3.25Å; K143-E155 WeakPolarHBondContact CE-OE2 3.35Å; K143-E155 IonicContact NZ-OE1 2.69Å; K143-E155 PolarHBondContact NZ-OE1 2.7Å; K143-E155 IonicContact NZ-OE2 2.87Å; K143-E155 PolarHBondContact NZ-OE2 3.07Å; K143-F158 HydrophobicContact CB-CD1 3.99Å; K143-F158 HydrophobicContact CB-CE1 3.9Å; K143-F158 HydrophobicContact CD-CD1 4.48Å; K143-F158 HydrophobicContact CD-CE1 3.74Å; K143-F158 HydrophobicContact CD-CZ 3.94Å; K143-F158 HydrophobicContact CG-CD1 4.43Å; K143-F158 HydrophobicContact CG-CE1 4.15Å; K143-F232 HydrophobicContact CB-CD1 3.69Å; K143-F232 HydrophobicContact CB-CE1 3.84Å; K143-F232 HydrophobicContact CD-CD1 3.89Å; K143-F232 HydrophobicContact CD-CE1 3.46Å; K143-F232 VanDerWaalsContact CD-CE1 3.46Å; K143-F232 HydrophobicContact CD-CZ 4.12Å; K143-F232 HydrophobicContact CG-CD1 4.08Å; K143-F232 HydrophobicContact CG-CE1 3.71Å; K143-L253 PolarHBondContact O-N 2.93Å; K143-L253 VanDerWaalsContact O-N 3.12Å; K143-E362 IonicContact NZ-OE1 2.65Å; K143-E362 PolarHBondContact NZ-OE1 3.13Å; K143-E362 IonicContact NZ-OE2 2.89Å; K143-E362 PolarHBondContact NZ-OE2 2.92Å
144T81.8Confident73.8Confident16 Ų1658.1 Ų58.110%0.09832%0.317CS..EExtended strand (participates in β ladder)trans-110.4137.4-169.867.30000111.8R156 G157 C159 L253T144-R156 PolarHBondContact O-N 3.39Å; T144-R156 VanDerWaalsContact OG1-C 3.26Å; T144-G157 WeakPolarHBondContact CB-O 3.28Å; T144-G157 PolarHBondContact N-O 3.09Å; T144-G157 PolarHBondContact OG1-N 3.27Å; T144-G157 PolarHBondContact OG1-O 3.43Å; T144-C159 HydrophobicContact CG2-CB 3.66Å; T144-C159 WeakPolarHBondContact CG2-SG 3.36Å; T144-L253 WeakPolarHBondContact CA-O 3.21Å; T144-L253 HydrophobicContact CG2-CB 4.16Å; T144-L253 HydrophobicContact CG2-CD2 4.14Å
145F82.5Confident75.3Confident3 Ų357.7 Ų57.71%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-128.2120.9178-63.9-84.5000110.5K143 I153 E155 F232 I252 L253 E255 L365 K366 L369K143-F145 HydrophobicContact CB-CE2 4.41Å; K143-F145 HydrophobicContact CG-CE2 3.93Å; K143-F145 HydrophobicContact CG-CZ 3.98Å; F145-I153 HydrophobicContact CB-CG2 3.74Å; F145-I153 HydrophobicContact CD1-CG2 3.82Å; F145-I153 HydrophobicContact CG-CG2 4.08Å; F145-E155 HydrophobicContact CD1-CB 4.19Å; F145-E155 HydrophobicContact CE1-CB 4.07Å; F145-F232 HydrophobicContact CE2-CE1 4.12Å; F145-F232 AromaticContact CZ-CE1 3.96Å; F145-F232 HydrophobicContact CZ-CE1 3.96Å; F145-F232 HydrophobicContact CZ-CZ 4.41Å; F145-I252 HydrophobicContact CD2-CG2 3.36Å; F145-I252 HydrophobicContact CE2-CG2 3.56Å; F145-L253 PolarHBondContact N-O 2.71Å; F145-E255 PolarHBondContact O-N 2.95Å; F145-L365 HydrophobicContact CE2-CD2 3.87Å; F145-L365 HydrophobicContact CZ-CD2 3.88Å; F145-K366 HydrophobicContact CD1-CG 4.34Å; F145-K366 HydrophobicContact CE1-CD 4.37Å; F145-K366 HydrophobicContact CE1-CG 3.65Å; F145-K366 HydrophobicContact CZ-CG 4.49Å; F145-L369 HydrophobicContact CD2-CD1 4.19Å; F145-L369 HydrophobicContact CE2-CD1 4.37Å; F145-L369 HydrophobicContact CG-CD1 4.48Å
146G81.5Confident76.7Confident5 Ų558.1 Ų58.15%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-90.2172.9167.400000111.3V154G146-V154 PolarHBondContact N-O 3.49Å; G146-V154 PolarHBondContact O-N 3.09Å
147V81.7Confident77.8Confident39 Ų3955.2 Ų55.224%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-103.7136.6161.1172.40000107.9N152 R156 E255 R373V147-N152 WeakPolarHBondContact CA-O 3.4Å; V147-R156 PolarHBondContact O-NH2 2.88Å; V147-E255 HydrophobicContact CB-CG 4.29Å; V147-E255 WeakPolarHBondContact CB-OE1 3.49Å; V147-E255 HydrophobicContact CG2-CG 3.91Å; V147-E255 WeakPolarHBondContact CG2-OE1 3.39Å; V147-R373 VanDerWaalsContact CG2-CZ 3.41Å; V147-R373 VanDerWaalsContact CG2-NH2 3.33Å
148D82.7Confident78.7Confident63 Ų6356.8 Ų56.834%0.33728%0.284SS..PPolyproline II helixtrans-90.3165.5171.3-88.231.9000110.5E150 G151 N152 V154 R156D148-E150 PolarHBondContact O-N 3.33Å; D148-G151 PolarHBondContact O-N 3.47Å; D148-N152 PolarHBondContact N-O 2.99Å; D148-V154 HydrophobicContact CB-CG2 3.96Å; D148-V154 VanDerWaalsContact CG-CG2 3.41Å; D148-V154 WeakPolarHBondContact OD1-CB 3.35Å; D148-R156 IonicContact OD1-CZ 3.9Å; D148-R156 IonicContact OD1-NE 2.65Å; D148-R156 IonicContact OD1-NH2 2.65Å; D148-R156 PolarHBondContact OD1-NH2 2.92Å
149N78.7Confident79.2Confident180 Ų18051.9 Ų51.996%0.96327%0.269SS*.THydrogen-bonded Turntrans-55.3-21.9-172-59.5-47.4000114.5G151N149-G151 VanDerWaalsContact C-N 3.33Å
150E76.8Confident79.6Confident132 Ų13256 Ų5662%0.61729%0.285SS*.THydrogen-bonded Turntrans-79.5-12.9177.7-58.2-177.2155.400113.5D148 N152 K377D148-E150 PolarHBondContact O-N 3.33Å; E150-N152 PolarHBondContact OE2-ND2 3.11Å; E150-K377 PolarHBondContact O-NZ 3.12Å
151G76.3Confident79.4Confident28 Ų2855.9 Ų55.929%0.28929%0.286SS..SBendtrans89.80.7-169.900000114.3D148 N149D148-G151 PolarHBondContact O-N 3.47Å; N149-G151 VanDerWaalsContact C-N 3.33Å
152N80Confident79Confident73 Ų7356.1 Ų56.139%0.3929%0.288SS..  trans-77.8149.9178-66.1-32000110.9V147 D148 E150V147-N152 WeakPolarHBondContact CA-O 3.4Å; D148-N152 PolarHBondContact N-O 2.99Å; E150-N152 PolarHBondContact OE2-ND2 3.11Å
153I83.3Confident78.4Confident17 Ų1760.6 Ų60.69%0.08730%0.304CS..EExtended strand (participates in β ladder)trans-87.1125.6179.2-57.6-171.9000110.4F145 L369 N370F145-I153 HydrophobicContact CB-CG2 3.74Å; F145-I153 HydrophobicContact CD1-CG2 3.82Å; F145-I153 HydrophobicContact CG-CG2 4.08Å; I153-L369 HydrophobicContact CD1-CB 3.41Å; I153-L369 VanDerWaalsContact CD1-CB 3.41Å; I153-L369 VanDerWaalsContact CD1-O 3.28Å; I153-L369 WeakPolarHBondContact CD1-O 3.36Å; I153-N370 HydrophobicContact CD1-CB 3.94Å; I153-N370 VanDerWaalsContact CD1-N 3.3Å; I153-N370 HydrophobicContact CG1-CB 4.09Å
154V83.1Confident76.9Confident55 Ų5564.5 Ų64.533%0.33333%0.332SS..EExtended strand (participates in β ladder)trans-129.3133.8-179176.90000109.8G146 D148G146-V154 PolarHBondContact N-O 3.49Å; G146-V154 PolarHBondContact O-N 3.09Å; D148-V154 HydrophobicContact CB-CG2 3.96Å; D148-V154 VanDerWaalsContact CG-CG2 3.41Å; D148-V154 WeakPolarHBondContact OD1-CB 3.35Å
155E83.2Confident75.2Confident58 Ų5868.6 Ų68.627%0.27135%0.353SS..EExtended strand (participates in β ladder)trans-65.6136.7177179.4174.4166.200111.3K143 F145 K366K143-E155 VanDerWaalsContact CE-OE1 3.25Å; K143-E155 WeakPolarHBondContact CE-OE1 3.22Å; K143-E155 VanDerWaalsContact CE-OE2 3.25Å; K143-E155 WeakPolarHBondContact CE-OE2 3.35Å; K143-E155 IonicContact NZ-OE1 2.69Å; K143-E155 PolarHBondContact NZ-OE1 2.7Å; K143-E155 IonicContact NZ-OE2 2.87Å; K143-E155 PolarHBondContact NZ-OE2 3.07Å; F145-E155 HydrophobicContact CD1-CB 4.19Å; F145-E155 HydrophobicContact CE1-CB 4.07Å; E155-K366 WeakPolarHBondContact OE2-CE 3.39Å; E155-K366 IonicContact OE2-NZ 3.31Å; E155-K366 PolarHBondContact OE2-NZ 3.45Å
156R82.9Confident73.4Confident140 Ų14072.5 Ų72.553%0.52839%0.386SS..EExtended strand (participates in β ladder)trans-115.614.1179.4-57.6-66.4176.970.91.1112.6T144 V147 D148T144-R156 PolarHBondContact O-N 3.39Å; T144-R156 VanDerWaalsContact OG1-C 3.26Å; V147-R156 PolarHBondContact O-NH2 2.88Å; D148-R156 IonicContact OD1-CZ 3.9Å; D148-R156 IonicContact OD1-NE 2.65Å; D148-R156 IonicContact OD1-NH2 2.65Å; D148-R156 PolarHBondContact OD1-NH2 2.92Å
157G81.7Confident71.8Confident25 Ų2572.4 Ų72.426%0.25838%0.384SS..EExtended strand (participates in β ladder)trans91.5-147.8-177.800000112.3T144T144-G157 WeakPolarHBondContact CB-O 3.28Å; T144-G157 PolarHBondContact N-O 3.09Å; T144-G157 PolarHBondContact OG1-N 3.27Å; T144-G157 PolarHBondContact OG1-O 3.43Å
158F79.7Confident70.2Confident91 Ų9172.4 Ų72.440%0.39938%0.383SS..EExtended strand (participates in β ladder)trans-113.9147.7-179.7-59.7-88.4000111.5K141 V142 K143K141-F158 HydrophobicContact CD-CD1 4.18Å; K141-F158 HydrophobicContact CD-CG 4.4Å; K141-F158 HydrophobicContact CG-CB 3.97Å; K141-F158 HydrophobicContact CG-CD1 3.81Å; K141-F158 HydrophobicContact CG-CG 4.07Å; V142-F158 CarbonylContact O-C 3.59Å; V142-F158 VanDerWaalsContact O-CA 3.32Å; V142-F158 WeakPolarHBondContact O-CA 3.37Å; K143-F158 HydrophobicContact CB-CD1 3.99Å; K143-F158 HydrophobicContact CB-CE1 3.9Å; K143-F158 HydrophobicContact CD-CD1 4.48Å; K143-F158 HydrophobicContact CD-CE1 3.74Å; K143-F158 HydrophobicContact CD-CZ 3.94Å; K143-F158 HydrophobicContact CG-CD1 4.43Å; K143-F158 HydrophobicContact CG-CE1 4.15Å
159C73.8Confident68.3Low31 Ų3175 Ų7521%0.20940%0.401CS..EExtended strand (participates in β ladder)trans-113.3168.7163.964.70000110.3K141 V142 T144K141-C159 WeakPolarHBondContact CA-O 3.46Å; V142-C159 PolarHBondContact N-O 2.73Å; V142-C159 PolarHBondContact O-N 2.76Å; T144-C159 HydrophobicContact CG2-CB 3.66Å; T144-C159 WeakPolarHBondContact CG2-SG 3.36Å
160Y72.2Confident66.6Low137 Ų13772.5 Ų72.554%0.53739%0.388SS..EExtended strand (participates in β ladder)trans-112.6110.4169.5-72-82000108.5Q140 K141Q140-Y160 CarbonylContact O-C 3.59Å; Q140-Y160 WeakPolarHBondContact O-CA 3.37Å; K141-Y160 HydrophobicContact CB-CD1 4.19Å; K141-Y160 HydrophobicContact CB-CE1 3.8Å; K141-Y160 HydrophobicContact CG-CE1 4.24Å
161V69.7Low64.9Low19 Ų1969.4 Ų69.412%0.11538%0.378CS..EExtended strand (participates in β ladder)trans-93.9141.8179.1-178.70000108.9Y139 Q140 V142 E258Y139-V161 CarbonylContact C-O 3.52Å; Y139-V161 VanDerWaalsContact CA-O 3.27Å; Y139-V161 WeakPolarHBondContact CA-O 3.01Å; Q140-V161 PolarHBondContact N-O 2.98Å; Q140-V161 PolarHBondContact O-N 2.89Å; V142-V161 HydrophobicContact CB-CG2 3.99Å; V142-V161 HydrophobicContact CG2-CB 4.2Å; V142-V161 HydrophobicContact CG2-CG2 3.8Å; V161-E258 WeakPolarHBondContact CG1-OE1 3.38Å
162H66.2Low62.7Low58 Ų5872.3 Ų72.327%0.26939%0.393SS..EExtended strand (participates in β ladder)trans-82.1129.9-179.6-169-110000110.9Y138 Y139 S164Y138-H162 WeakPolarHBondContact O-CA 3.39Å; Y138-H162 PolarHBondContact O-CD2 3.19Å; Y138-H162 VanDerWaalsContact O-CD2 3.24Å; Y139-H162 HydrophobicContact CD1-CB 4.26Å; Y139-H162 HydrophobicContact CE1-CB 3.98Å; Y139-H162 AromaticContact CE1-CD2 3.8Å; Y139-H162 AromaticContact CZ-CD2 3.76Å; H162-S164 PolarHBondContact CE1-OG 3Å; H162-S164 PolarHBondContact ND1-OG 2.95Å; H162-S164 PolarHBondContact O-N 2.99Å; H162-S164 VanDerWaalsContact O-N 3.14Å
163R64.9Low60.4Low100 Ų10074.1 Ų74.138%0.37741%0.411SS..THydrogen-bonded Turntrans-67.2-15.5-171.3-66.9-175.8-169.6-173.9-7.1114.9A137 Y138 Y139 Q140 N165A137-R163 VanDerWaalsContact O-CD 3.23Å; A137-R163 WeakPolarHBondContact O-CD 3.47Å; A137-R163 VanDerWaalsContact O-CZ 3.25Å; A137-R163 PolarHBondContact O-NE 2.79Å; A137-R163 PolarHBondContact O-NH1 2.67Å; A137-R163 VanDerWaalsContact O-NH1 3.12Å; Y138-R163 PolarHBondContact O-N 3.36Å; Y139-R163 PolarHBondContact O-NE 2.87Å; Y139-R163 PolarHBondContact O-NH2 2.86Å; Q140-R163 HydrophobicContact CB-CG 4.36Å; R163-N165 PolarHBondContact O-N 3.14Å
164S51.5Low58Low85 Ų8579 Ų7959%0.59444%0.444SS*.THydrogen-bonded Turntrans-876.3-174.481.20000115.4H162 A166H162-S164 PolarHBondContact CE1-OG 3Å; H162-S164 PolarHBondContact ND1-OG 2.95Å; H162-S164 PolarHBondContact O-N 2.99Å; H162-S164 VanDerWaalsContact O-N 3.14Å; S164-A166 PolarHBondContact O-N 2.86Å; S164-A166 VanDerWaalsContact O-N 3.07Å
165N46.5Very low55.5Low101 Ų10182 Ų8254%0.5446%0.463SS..SBendtrans-82.839.3179.8-79.412.6000113R163 S167R163-N165 PolarHBondContact O-N 3.14Å; N165-S167 PolarHBondContact O-N 3.1Å
166A45.1Very low52.8Low85 Ų8586.4 Ų86.470%0.70249%0.488SS*.SBendtrans57.2-7.5174.400000118.8S164S164-A166 PolarHBondContact O-N 2.86Å; S164-A166 VanDerWaalsContact O-N 3.07Å
167S48.8Very low50.3Low3 Ų386.4 Ų86.42%0.02150%0.504CS..  trans-100.5-5.5-163.361.90000116.5N165 E206 E258 F260N165-S167 PolarHBondContact O-N 3.1Å; S167-E206 WeakPolarHBondContact CB-OE1 3.43Å; S167-E258 PolarHBondContact OG-OE2 3.49Å; S167-E258 VanDerWaalsContact OG-OE2 3.09Å; S167-F260 WeakPolarHBondContact O-CZ 3.43Å
168L47.3Very low47.9Very low40 Ų4089.5 Ų89.521%0.20952%0.522CS..SBendtrans-111.26.2-159.5-73.4167.4000117.1P251 F260L168-P251 HydrophobicContact CD2-CB 4.21Å; L168-F260 HydrophobicContact CD2-CE1 4.07Å; L168-F260 HydrophobicContact CD2-CZ 4.39Å
169T43.5Very low45.5Very low116 Ų11693.8 Ų93.871%0.71254%0.543SS*.SBendtrans-135.1-30.1177.843.60000115.3V171T169-V171 VanDerWaalsContact C-N 3.35Å; T169-V171 PolarHBondContact O-N 2.99Å
170D42.6Very low43.5Very low129 Ų12997 Ų9769%0.6957%0.566SS**THydrogen-bonded Turntrans-91.63.9-156.9-63.413.5000114C172D170-C172 PolarHBondContact O-N 3.08Å
171V41.6Very low41.4Very low67 Ų6797.8 Ų97.841%0.40659%0.585SS.*THydrogen-bonded Turntrans-76.6-6.5179.7-168.40000112.4T169 I208T169-V171 VanDerWaalsContact C-N 3.35Å; T169-V171 PolarHBondContact O-N 2.99Å; V171-I208 HydrophobicContact CG1-CD1 4.28Å
172C29.2Very low39.5Very low89 Ų89102.4 Ų102.460%0.60161%0.613SS**  trans-11988.4-179.2-67.90000112.4D170D170-C172 PolarHBondContact O-N 3.08Å
173S32.8Very low38Very low110 Ų110110 Ų11077%0.76964%0.641SS**  trans-143.7132.1158-74.60000109.5
174P32.6Very low36.5Very low120 Ų120109.9 Ų109.978%0.77966%0.656SS**  trans-83.4145.8-174.933.4-35.1000112.9
175T29.5Very low35.5Very low118 Ų118110.7 Ų110.772%0.72466%0.661SS**  trans23.5120.7150.655.80000120.1
176D27.8Very low35.1Very low150 Ų150110.9 Ų110.980%0.80268%0.677SS**  trans43.5104136.1-50.4-28.4000119.4
177T29.8Very low34.4Very low141 Ų141115.6 Ų115.687%0.86568%0.684SS**  -164.8158.3128.4-75.50000109.6
178S30.1Very low33.7Very low90 Ų90119.2 Ų119.263%0.62972%0.722SS**  trans-74.5178.4-179.947.80000114.7
179E30.4Very low32.9Very low180 Ų180125.3 Ų125.384%0.84175%0.75SS**  trans78.1148.3170.4-53.8171.9-157.500116.1
180S30.7Very low32.4Very low100 Ų100127.4 Ų127.470%0.69975%0.751SS**  cis-160.7141.7-28.955.40000109.1
181T28.3Very low32.1Very low153 Ų153127.3 Ų127.394%0.93975%0.749SS**  trans-107.3104.8-172.7-27.50000112.4
182V30.9Very low31.7Very low116 Ų116131.5 Ų131.570%0.70377%0.769SS**  trans-144.9153.7173.9-165.90000110
183Y34.3Very low32.2Very low216 Ų216131.6 Ų131.685%0.84778%0.776SS**  trans75.3138.9-179.2-66.8-95000117.2
184S32.9Very low32.3Very low99 Ų99134.6 Ų134.669%0.69278%0.778SS**  cis-159.2157.3-33.2-148.60000112.4
185S30.6Very low32.1Very low102 Ų102135.6 Ų135.671%0.71378%0.777SS**  trans-38.7140.1169.754.80000117.7
186A37.7Very low32.1Very low105 Ų105139.4 Ų139.487%0.86879%0.787SS**  trans-137.5131.8140.200000108.4
187Q31.7Very low32.5Very low183 Ų183136.9 Ų136.986%0.85579%0.787SS**  trans-95.2153.1-176.1-67.4170.7-82.100111.6
188G33.2Very low32.4Very low80 Ų80139.7 Ų139.783%0.82579%0.79SS**  trans-167.791.3174.100000110.5
189E29.7Very low32.4Very low168 Ų168139.6 Ų139.679%0.78579%0.79SS**  trans-88.7130-178.5-59.5171.9130.200110.7
190H34.2Very low32.6Very low159 Ų159139.1 Ų139.174%0.73679%0.787SS**  -176.2122.1121.4-113.4-113000113.4
191I35.4Very low32.4Very low128 Ų128144.5 Ų144.566%0.65680%0.798SS**  trans23.2118.9137.1-33.9178.4000118.3
192D34.4Very low32.5Very low155 Ų155141.5 Ų141.583%0.82979%0.789SS**  -179.9155.4107.3-106-45.1000116.2
193A39.5Very low32.6Very low90 Ų90143 Ų14374%0.74480%0.798SS**  trans4983.3156.700000121.4
194E33.6Very low33.1Very low173 Ų173136.3 Ų136.381%0.80878%0.783SS**  trans10.4138.2132.2-66.7-172.5-166.700123
195N28.9Very low34Very low142 Ų142136.6 Ų136.676%0.75979%0.785SS**  trans6785.8141.1-66.5-40000120.8
196E30.4Very low35.5Very low197 Ų197135.7 Ų135.792%0.92177%0.769SS**  trans-156.7180132.5-126.5175.8-159.100112.6
197A35.1Very low37.2Very low98 Ų98136.9 Ų136.981%0.8175%0.751SS**  trans66.364.8174.700000118.5
198Q29.2Very low39.5Very low200 Ų200131.2 Ų131.294%0.93573%0.726SS**  trans-75.7112.5146.4-69.9-176.12.300109.8
199S30.2Very low42Very low88 Ų88128.3 Ų128.362%0.61569%0.691SS**  trans-156.3152.4158.4-142.20000113.8
200E33.3Very low44.7Very low169 Ų169123.5 Ų123.579%0.7967%0.668SS**  trans34.6102.7155-63.8152.6-96.400118
201K26.7Very low47.3Very low213 Ų213116 Ų11693%0.92663%0.633SS**  cis71.650.211.6-137.7-178.9-166.61780117.9
202A29.7Very low49.9Very low91 Ų91111.9 Ų111.975%0.75261%0.609SS**  trans-151.270.2162.600000113.5S204A202-S204 PolarHBondContact O-N 2.82Å; A202-S204 VanDerWaalsContact O-N 3.15Å
203V35Very low52.6Low146 Ų146104.5 Ų104.589%0.88557%0.57SS**  trans-73.4103.8168.1-179.30000108.6S205V203-S205 PolarHBondContact O-N 3.39Å
204S44.3Very low55.1Low76 Ų76100.2 Ų100.253%0.53153%0.534SS..  trans-69.1118.5174.5480000110.2A202 E206A202-S204 PolarHBondContact O-N 2.82Å; A202-S204 VanDerWaalsContact O-N 3.15Å; S204-E206 PolarHBondContact O-N 2.82Å
205S51.8Low57.8Low105 Ų10592.2 Ų92.273%0.73450%0.498SS*.  trans-64.7104.9177.3-42.90000110.5V203V203-S205 PolarHBondContact O-N 3.39Å
206E62.5Low60.8Low84 Ų8488.5 Ų88.539%0.39348%0.476SS..  trans-56.4134.6178.4-65.4174.5-163.200111S167 S204 F260S167-E206 WeakPolarHBondContact CB-OE1 3.43Å; S204-E206 PolarHBondContact O-N 2.82Å; E206-F260 HydrophobicContact CB-CD2 4.43Å; E206-F260 HydrophobicContact CB-CE2 4.26Å; E206-F260 HydrophobicContact CG-CE2 4.13Å
207R72.6Confident63.5Low129 Ų12985.3 Ų85.349%0.48746%0.461SS..EExtended strand (participates in β ladder)trans-108104.2-178.4-63.6-174.1-176.6-178.61.2109.8F209 C259 F260R207-F209 HydrophobicContact CB-CE2 3.98Å; R207-F209 HydrophobicContact CB-CZ 4.26Å; R207-C259 WeakPolarHBondContact O-CA 3.32Å; R207-F260 PolarHBondContact O-N 3.06Å
208I80.4Confident66.1Low65 Ų6585.8 Ų85.833%0.33346%0.459SS..EExtended strand (participates in β ladder)trans-96.497.4-179.7-54.8175.8000108.3V171 F260V171-I208 HydrophobicContact CG1-CD1 4.28Å; I208-F260 CarbonylContact C-O 3.55Å; I208-F260 WeakPolarHBondContact CA-O 3.35Å; I208-F260 HydrophobicContact CG1-CB 4.33Å; I208-F260 HydrophobicContact CG1-CD2 4.34Å
209F85.2Confident69.2Low18 Ų1876.3 Ų76.38%0.07941%0.414CS..EExtended strand (participates in β ladder)trans-80.3129172.9-61.8-76.5000110.3R207 C259 F260 V261 C262 Q279 L372R207-F209 HydrophobicContact CB-CE2 3.98Å; R207-F209 HydrophobicContact CB-CZ 4.26Å; F209-C259 HydrophobicContact CD2-CB 4.37Å; F209-C259 HydrophobicContact CE2-CB 4.03Å; F209-F260 PolarHBondContact N-O 3.41Å; F209-V261 HydrophobicContact CB-CG2 4.21Å; F209-V261 HydrophobicContact CD2-CG2 4.27Å; F209-V261 WeakPolarHBondContact O-CA 3.35Å; F209-C262 PolarHBondContact O-N 3.27Å; F209-Q279 CarbonylContact C-O 3.42Å; F209-Q279 VanDerWaalsContact CA-O 3.27Å; F209-Q279 WeakPolarHBondContact CA-O 3.42Å; F209-Q279 HydrophobicContact CD1-CB 3.73Å; F209-Q279 HydrophobicContact CD1-CG 4.17Å; F209-Q279 HydrophobicContact CE1-CB 4.2Å; F209-Q279 HydrophobicContact CE1-CG 4.13Å; F209-L372 HydrophobicContact CB-CD1 3.97Å; F209-L372 HydrophobicContact CD1-CB 4.01Å; F209-L372 HydrophobicContact CD1-CD1 3.88Å; F209-L372 HydrophobicContact CD1-CD2 3.93Å; F209-L372 HydrophobicContact CD1-CG 4.17Å; F209-L372 HydrophobicContact CE1-CB 4.01Å; F209-L372 HydrophobicContact CG-CD1 4.03Å
210K86.3Confident72.1Confident68 Ų6873 Ų7330%0.29639%0.393SS..EExtended strand (participates in β ladder)trans-97.7129.3176.3-61.9176.9-172.6174.90109Y212 D277 Q279 T280 A281K210-Y212 HydrophobicContact CB-CE2 4.27Å; K210-D277 WeakPolarHBondContact CD-OD2 3.5Å; K210-D277 WeakPolarHBondContact CE-OD2 3.33Å; K210-D277 IonicContact NZ-OD2 2.64Å; K210-D277 PolarHBondContact NZ-OD2 2.84Å; K210-Q279 PolarHBondContact N-O 2.87Å; K210-T280 HydrophobicContact CB-CG2 4.47Å; K210-T280 CarbonylContact O-C 3.55Å; K210-T280 VanDerWaalsContact O-CA 3.27Å; K210-T280 WeakPolarHBondContact O-CA 3.22Å; K210-A281 PolarHBondContact O-N 2.65Å
211V89.2Confident74.9Confident0 Ų065.4 Ų65.40%036%0.358CS..EExtended strand (participates in β ladder)trans-127.8112.9-179.8-177.10000109.4V261 C262 F263 K264 A281 I283 L368 L372V211-V261 HydrophobicContact CB-CG1 4.43Å; V211-V261 HydrophobicContact CG2-CG1 3.55Å; V211-C262 PolarHBondContact N-O 2.7Å; V211-F263 HydrophobicContact CB-CD1 3.86Å; V211-F263 HydrophobicContact CB-CE1 4.07Å; V211-F263 HydrophobicContact CB-CG 4.44Å; V211-F263 HydrophobicContact CG1-CD1 3.74Å; V211-F263 HydrophobicContact CG1-CE1 3.78Å; V211-F263 HydrophobicContact CG2-CE1 4.41Å; V211-F263 CarbonylContact O-C 3.52Å; V211-F263 WeakPolarHBondContact O-CA 3.11Å; V211-K264 PolarHBondContact O-N 3.15Å; V211-A281 WeakPolarHBondContact CA-O 3.44Å; V211-A281 HydrophobicContact CG2-CB 4.47Å; V211-I283 HydrophobicContact CG1-CD1 3.8Å; V211-I283 HydrophobicContact CG1-CG1 3.76Å; V211-L368 HydrophobicContact CG1-CD1 4.01Å; V211-L372 HydrophobicContact CG2-CD1 4.46Å
212Y89.3Confident77.9Confident43 Ų4357.4 Ų57.417%0.16933%0.331CS..EExtended strand (participates in β ladder)trans-92.3129.6177.3-65.8-90.1000110.6K210 K264 P270 T280 A281 L282 I283K210-Y212 HydrophobicContact CB-CE2 4.27Å; Y212-K264 WeakPolarHBondContact CA-O 3.37Å; Y212-K264 HydrophobicContact CD1-CB 3.92Å; Y212-K264 HydrophobicContact CE1-CB 4Å; Y212-K264 HydrophobicContact CE1-CD 3.94Å; Y212-K264 HydrophobicContact CE1-CG 4.46Å; Y212-P270 HydrophobicContact CD1-CG 4.02Å; Y212-P270 HydrophobicContact CD2-CG 4.26Å; Y212-P270 HydrophobicContact CE1-CB 4.46Å; Y212-P270 HydrophobicContact CE1-CG 4.11Å; Y212-P270 HydrophobicContact CE2-CG 4.35Å; Y212-P270 HydrophobicContact CG-CG 4.1Å; Y212-T280 HydrophobicContact CD2-CG2 3.77Å; Y212-T280 HydrophobicContact CE2-CG2 3.79Å; Y212-A281 PolarHBondContact N-O 3.05Å; Y212-L282 HydrophobicContact CD2-CD2 4.07Å; Y212-L282 HydrophobicContact CG-CD2 4.32Å; Y212-I283 PolarHBondContact O-N 3.1Å
213V92.1Very high80.9Confident0 Ų055.7 Ų55.70%031%0.314CS..EExtended strand (participates in β ladder)trans-103.1106.7178.6-167.60000109.7R221 L224 I225 F263 K264 G266 I283 M285V213-R221 HydrophobicContact CG1-CB 4.07Å; V213-R221 HydrophobicContact CG1-CG 4.03Å; V213-R221 WeakPolarHBondContact O-CD 3.34Å; V213-L224 HydrophobicContact CG1-CD2 4.47Å; V213-I225 HydrophobicContact CB-CD1 4.27Å; V213-I225 HydrophobicContact CG2-CD1 3.93Å; V213-I225 HydrophobicContact CG2-CG1 4.03Å; V213-F263 HydrophobicContact CG2-CD1 4.28Å; V213-K264 PolarHBondContact N-O 3.21Å; V213-G266 PolarHBondContact O-N 2.79Å; V213-G266 VanDerWaalsContact O-N 3.14Å; V213-I283 HydrophobicContact CG1-CB 4.42Å; V213-I283 HydrophobicContact CG1-CG2 4.37Å; V213-I283 HydrophobicContact CG2-CD1 4.12Å; V213-M285 HydrophobicContact CG1-CG 4.2Å; V213-M285 HydrophobicContact CG1-SD 3.64Å
214I91.4Very high83.6Confident0 Ų048.7 Ų48.70%027%0.272CS..EExtended strand (participates in β ladder)trans-119.4158.1-171-43.2173.9000109.2V269 L282 I283 I284 M285 I300I214-V269 HydrophobicContact CD1-CG2 4.43Å; I214-L282 HydrophobicContact CD1-CD2 4.15Å; I214-I283 PolarHBondContact N-O 3.32Å; I214-I284 CarbonylContact O-C 3.57Å; I214-I284 WeakPolarHBondContact O-CA 3.33Å; I214-M285 PolarHBondContact O-N 3.44Å; I214-I300 HydrophobicContact CG2-CD1 4.17Å; I214-I300 HydrophobicContact CG2-CG2 4.11Å
215G91.1Very high85.8Confident4 Ų446 Ų464%0.04125%0.251CS..EExtended strand (participates in β ladder)trans160.6-158.7-176.500000110.9R221 M285G215-R221 VanDerWaalsContact C-CZ 3.43Å; G215-R221 VanDerWaalsContact N-NH1 3.17Å; G215-R221 PolarHBondContact O-NH1 3.5Å; G215-R221 VanDerWaalsContact O-NH1 3.14Å; G215-R221 PolarHBondContact O-NH2 3.19Å; G215-M285 VanDerWaalsContact CA-O 3.24Å; G215-M285 WeakPolarHBondContact CA-O 3.21Å
216E90.6Very high87.5Confident65 Ų6546.5 Ų46.530%0.30424%0.242SC..  trans-90174.2166.6-171.3154.1-133.300111.5V219 R221 T293 V296E216-V219 HydrophobicContact CB-CG1 3.97Å; E216-V219 WeakPolarHBondContact O-CG2 3.43Å; E216-R221 PolarHBondContact O-NE 2.99Å; E216-R221 PolarHBondContact O-NH2 3.22Å; E216-T293 HydrophobicContact CB-CG2 4.12Å; E216-T293 HydrophobicContact CG-CG2 4.42Å; E216-T293 WeakPolarHBondContact OE2-CA 3.18Å; E216-T293 WeakPolarHBondContact OE2-CG2 3.13Å; E216-T293 PolarHBondContact OE2-N 2.99Å; E216-V296 HydrophobicContact CB-CG1 4.2Å
217E88.4Confident88.7Confident130 Ų13044.8 Ų44.861%0.60723%0.234SC*.SBendtrans-66.9166165.9-55.7-15615200110.6V219E217-V219 PolarHBondContact O-N 3.35Å
218S89.1Confident89.4Confident108 Ų10838.7 Ų38.776%0.75521%0.211SC*.SBendtrans59.3-5.5-179.4-59.10000118.3G220 K325S218-G220 PolarHBondContact O-N 3.27Å; S218-K325 WeakPolarHBondContact O-CE 3.27Å; S218-K325 PolarHBondContact O-NZ 2.88Å
219V93.5Very high89.6Confident1 Ų139.1 Ų39.11%0.00621%0.21CC..SBendtrans-73.4-4.1176.5-49.50000114.5E216 E217 R221 M285 D287 T293 N324E216-V219 HydrophobicContact CB-CG1 3.97Å; E216-V219 WeakPolarHBondContact O-CG2 3.43Å; E217-V219 PolarHBondContact O-N 3.35Å; V219-R221 HydrophobicContact CG2-CG 3.67Å; V219-M285 HydrophobicContact CG2-CB 3.76Å; V219-D287 HydrophobicContact CG1-CB 4.25Å; V219-T293 HydrophobicContact CG1-CG2 3.74Å; V219-N324 PolarHBondContact O-ND2 3.2Å
220G91.3Very high89.5Confident17 Ų1742.1 Ų42.118%0.17523%0.227CC..  trans90.820.9177.200000116.5S218 A222 S223 L224S218-G220 PolarHBondContact O-N 3.27Å; G220-A222 VanDerWaalsContact C-N 3.31Å; G220-A222 PolarHBondContact O-N 3.4Å; G220-S223 PolarHBondContact O-N 3.26Å; G220-L224 PolarHBondContact O-N 2.82Å
221R92.2Very high89.1Confident10 Ų1041.1 Ų41.14%0.03823%0.225CC..Hα-helixtrans-52.1-42.6179.6-66.9-171.1-96-176.1-3.9114.2V213 G215 E216 V219 I225 G266 S267 M285V213-R221 HydrophobicContact CG1-CB 4.07Å; V213-R221 HydrophobicContact CG1-CG 4.03Å; V213-R221 WeakPolarHBondContact O-CD 3.34Å; G215-R221 VanDerWaalsContact C-CZ 3.43Å; G215-R221 VanDerWaalsContact N-NH1 3.17Å; G215-R221 PolarHBondContact O-NH1 3.5Å; G215-R221 VanDerWaalsContact O-NH1 3.14Å; G215-R221 PolarHBondContact O-NH2 3.19Å; E216-R221 PolarHBondContact O-NE 2.99Å; E216-R221 PolarHBondContact O-NH2 3.22Å; V219-R221 HydrophobicContact CG2-CG 3.67Å; R221-I225 WeakPolarHBondContact O-CG1 3.25Å; R221-G266 PolarHBondContact NH1-O 2.74Å; R221-S267 PolarHBondContact NH1-O 2.77Å; R221-M285 HydrophobicContact CB-SD 4.36Å; R221-M285 HydrophobicContact CG-CB 4.48Å; R221-M285 HydrophobicContact CG-SD 3.96Å
222A90.1Very high88.4Confident45 Ų4541.4 Ų41.437%0.37223%0.226SC..Hα-helixtrans-68.7-48.8178.800000111.5G220 L224 I225 E226G220-A222 VanDerWaalsContact C-N 3.31Å; G220-A222 PolarHBondContact O-N 3.4Å; A222-L224 VanDerWaalsContact C-N 3.27Å; A222-L224 PolarHBondContact O-N 3.23Å; A222-I225 WeakPolarHBondContact O-CB 3.37Å; A222-I225 PolarHBondContact O-N 3.1Å; A222-E226 PolarHBondContact O-N 3.29Å
223S91.6Very high87.6Confident55 Ų5540.9 Ų40.939%0.38523%0.226SC..Hα-helixtrans-60.3-33.3179.8-46.40000112.9G220 E226 E227 V355G220-S223 PolarHBondContact O-N 3.26Å; S223-E226 PolarHBondContact O-N 3.16Å; S223-E227 WeakPolarHBondContact O-CB 3.37Å; S223-E227 PolarHBondContact O-N 3.26Å; S223-V355 WeakPolarHBondContact O-CG1 3.35Å
224L92Very high85.9Confident0 Ų044.3 Ų44.30%025%0.25CC..Hα-helixtrans-63.6-42.1173.1-179.167.3000111.7V213 G220 A222 L228 I283 M285 I322 V355 V361V213-L224 HydrophobicContact CG1-CD2 4.47Å; G220-L224 PolarHBondContact O-N 2.82Å; A222-L224 VanDerWaalsContact C-N 3.27Å; A222-L224 PolarHBondContact O-N 3.23Å; L224-L228 HydrophobicContact CD1-CD1 4.35Å; L224-L228 HydrophobicContact CG-CD1 4.11Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 WeakPolarHBondContact O-CD1 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.48Å; L224-L228 PolarHBondContact O-N 2.95Å; L224-I283 HydrophobicContact CD2-CD1 4.29Å; L224-M285 HydrophobicContact CB-CE 4.06Å; L224-M285 HydrophobicContact CB-SD 4.12Å; L224-M285 HydrophobicContact CD2-CE 3.96Å; L224-M285 HydrophobicContact CD2-CG 4.47Å; L224-M285 HydrophobicContact CD2-SD 3.53Å; L224-M285 VanDerWaalsContact CD2-SD 3.53Å; L224-M285 HydrophobicContact CG-SD 4.45Å; L224-I322 HydrophobicContact CD2-CD1 4.29Å; L224-V355 HydrophobicContact CB-CG2 4.02Å; L224-V355 HydrophobicContact CD1-CG2 3.87Å; L224-V361 HydrophobicContact CD1-CG1 3.98Å; L224-V361 HydrophobicContact CD1-CG2 4.49Å
225I90.1Very high84Confident20 Ų2048.5 Ų48.510%0.10327%0.272CS..Hα-helixtrans-68.8-39.8178.8-62.7171000110.3V213 R221 A222 L228 K229 C248 F263 R265V213-I225 HydrophobicContact CB-CD1 4.27Å; V213-I225 HydrophobicContact CG2-CD1 3.93Å; V213-I225 HydrophobicContact CG2-CG1 4.03Å; R221-I225 WeakPolarHBondContact O-CG1 3.25Å; A222-I225 WeakPolarHBondContact O-CB 3.37Å; A222-I225 PolarHBondContact O-N 3.1Å; I225-L228 PolarHBondContact O-N 2.9Å; I225-K229 PolarHBondContact O-N 3.46Å; I225-C248 HydrophobicContact CG2-CB 3.41Å; I225-C248 VanDerWaalsContact CG2-CB 3.41Å; I225-F263 HydrophobicContact CG1-CB 4.26Å; I225-F263 HydrophobicContact CG2-CB 4.31Å; I225-R265 HydrophobicContact CD1-CB 4.07Å
226E87.6Confident82.1Confident114 Ų11452.4 Ų52.453%0.53329%0.292SS..Hα-helixtrans-64.5-46.7175.8-171.8-177.3173.700112.4A222 S223 L228 K229 N230A222-E226 PolarHBondContact O-N 3.29Å; S223-E226 PolarHBondContact O-N 3.16Å; E226-L228 VanDerWaalsContact C-N 3.29Å; E226-L228 PolarHBondContact O-N 2.86Å; E226-K229 WeakPolarHBondContact O-CA 3.49Å; E226-K229 VanDerWaalsContact O-CB 3.26Å; E226-K229 WeakPolarHBondContact O-CB 3.46Å; E226-K229 PolarHBondContact O-N 3Å; E226-K229 VanDerWaalsContact O-N 3.09Å; E226-N230 PolarHBondContact O-N 2.94Å; E226-N230 PolarHBondContact O-ND2 3.32Å
227E88.4Confident79.9Confident49 Ų4958.6 Ų58.623%0.22932%0.318CS..Hα-helixtrans-65.9-33.9177-177.360.6-175.300111.5S223 N230 L231 V355 V361S223-E227 WeakPolarHBondContact O-CB 3.37Å; S223-E227 PolarHBondContact O-N 3.26Å; E227-N230 PolarHBondContact O-N 3.31Å; E227-L231 HydrophobicContact CG-CD1 3.88Å; E227-L231 HydrophobicContact CG-CG 4.3Å; E227-L231 WeakPolarHBondContact O-CB 3.42Å; E227-L231 VanDerWaalsContact O-CG 3.24Å; E227-L231 WeakPolarHBondContact O-CG 3.48Å; E227-L231 PolarHBondContact O-N 2.84Å; E227-V355 HydrophobicContact CB-CG1 4.09Å; E227-V361 HydrophobicContact CB-CG1 4.47Å; E227-V361 HydrophobicContact CG-CB 4.41Å; E227-V361 HydrophobicContact CG-CG1 3.97Å; E227-V361 HydrophobicContact CG-CG2 4.24Å
228L87.1Confident77.5Confident1 Ų161.8 Ų61.81%0.00533%0.333CS..Hα-helixtrans-67.1-39.1169.9-70.7168.2000112.3L224 I225 E226 N230 F232 I250 F263 V361L224-L228 HydrophobicContact CD1-CD1 4.35Å; L224-L228 HydrophobicContact CG-CD1 4.11Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 WeakPolarHBondContact O-CD1 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.48Å; L224-L228 PolarHBondContact O-N 2.95Å; I225-L228 PolarHBondContact O-N 2.9Å; E226-L228 VanDerWaalsContact C-N 3.29Å; E226-L228 PolarHBondContact O-N 2.86Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.79Å; L228-F232 HydrophobicContact CD2-CD2 4.3Å; L228-F232 HydrophobicContact CD2-CE2 3.91Å; L228-F232 WeakPolarHBondContact O-CB 3.25Å; L228-F232 WeakPolarHBondContact O-CD2 3.36Å; L228-F232 PolarHBondContact O-N 2.92Å; L228-I250 HydrophobicContact CB-CD1 3.74Å; L228-I250 WeakPolarHBondContact O-CD1 3.43Å; L228-F263 HydrophobicContact CD1-CD1 4.22Å; L228-F263 HydrophobicContact CD1-CE1 3.77Å; L228-F263 HydrophobicContact CD1-CE2 4.34Å; L228-F263 HydrophobicContact CD1-CZ 3.84Å; L228-V361 HydrophobicContact CD2-CG1 3.77Å; L228-V361 HydrophobicContact CG-CG1 3.98Å
229K84.4Confident75.1Confident73 Ų7360.5 Ų60.532%0.31733%0.328SS..Hα-helixtrans-56.1-48.3170.5-168.5-174.8-177.7-176.10109.7I225 E226 I233 E243I225-K229 PolarHBondContact O-N 3.46Å; E226-K229 WeakPolarHBondContact O-CA 3.49Å; E226-K229 VanDerWaalsContact O-CB 3.26Å; E226-K229 WeakPolarHBondContact O-CB 3.46Å; E226-K229 PolarHBondContact O-N 3Å; E226-K229 VanDerWaalsContact O-N 3.09Å; K229-I233 HydrophobicContact CG-CD1 4.44Å; K229-I233 WeakPolarHBondContact O-CA 3.4Å; K229-I233 VanDerWaalsContact O-CB 3.26Å; K229-I233 WeakPolarHBondContact O-CB 3.48Å; K229-I233 WeakPolarHBondContact O-CG1 3.3Å; K229-I233 PolarHBondContact O-N 3.35Å; K229-E243 VanDerWaalsContact NZ-CD 3.27Å; K229-E243 IonicContact NZ-OE1 2.67Å; K229-E243 PolarHBondContact NZ-OE1 3.46Å; K229-E243 IonicContact NZ-OE2 3.04Å; K229-E243 PolarHBondContact NZ-OE2 2.9Å
230N83Confident72.5Confident81 Ų8168.5 Ų68.543%0.43337%0.371SS..Hα-helixtrans-68-46.8-176.5-64.7-21.9000113.7E226 E227 L228 F232 S234E226-N230 PolarHBondContact O-N 2.94Å; E226-N230 PolarHBondContact O-ND2 3.32Å; E227-N230 PolarHBondContact O-N 3.31Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.79Å; N230-F232 VanDerWaalsContact C-N 3.29Å; N230-F232 PolarHBondContact O-N 3Å; N230-S234 PolarHBondContact O-OG 3.36Å
231L79.5Confident70.2Confident47 Ų4774.9 Ų74.925%0.24640%0.396CS..Hα-helixtrans-67.5-26.4-177.7-73.4170.9000113.5E227 V361 E362E227-L231 HydrophobicContact CG-CD1 3.88Å; E227-L231 HydrophobicContact CG-CG 4.3Å; E227-L231 WeakPolarHBondContact O-CB 3.42Å; E227-L231 VanDerWaalsContact O-CG 3.24Å; E227-L231 WeakPolarHBondContact O-CG 3.48Å; E227-L231 PolarHBondContact O-N 2.84Å; L231-V361 HydrophobicContact CD1-CB 4.04Å; L231-V361 HydrophobicContact CD1-CG1 3.8Å; L231-E362 HydrophobicContact CD1-CG 4.28Å
232F74.2Confident67.7Low7 Ų779.3 Ų79.33%0.03143%0.427CS..Hα-helixtrans-111.9-23.1-173.7-70.3-93.9000114.6K143 F145 L228 N230 I250 L365K143-F232 HydrophobicContact CB-CD1 3.69Å; K143-F232 HydrophobicContact CB-CE1 3.84Å; K143-F232 HydrophobicContact CD-CD1 3.89Å; K143-F232 HydrophobicContact CD-CE1 3.46Å; K143-F232 VanDerWaalsContact CD-CE1 3.46Å; K143-F232 HydrophobicContact CD-CZ 4.12Å; K143-F232 HydrophobicContact CG-CD1 4.08Å; K143-F232 HydrophobicContact CG-CE1 3.71Å; F145-F232 HydrophobicContact CE2-CE1 4.12Å; F145-F232 AromaticContact CZ-CE1 3.96Å; F145-F232 HydrophobicContact CZ-CE1 3.96Å; F145-F232 HydrophobicContact CZ-CZ 4.41Å; L228-F232 HydrophobicContact CD2-CD2 4.3Å; L228-F232 HydrophobicContact CD2-CE2 3.91Å; L228-F232 WeakPolarHBondContact O-CB 3.25Å; L228-F232 WeakPolarHBondContact O-CD2 3.36Å; L228-F232 PolarHBondContact O-N 2.92Å; N230-F232 VanDerWaalsContact C-N 3.29Å; N230-F232 PolarHBondContact O-N 3Å; F232-I250 HydrophobicContact CB-CD1 4.46Å; F232-I250 HydrophobicContact CB-CG2 3.4Å; F232-I250 HydrophobicContact CD1-CG2 4.21Å; F232-I250 HydrophobicContact CG-CG2 3.88Å; F232-L365 HydrophobicContact CD1-CD2 4.03Å; F232-L365 HydrophobicContact CE1-CD2 3.27Å; F232-L365 HydrophobicContact CE2-CD2 4.1Å; F232-L365 HydrophobicContact CZ-CB 4.33Å; F232-L365 HydrophobicContact CZ-CD2 3.33Å; F232-L365 HydrophobicContact CZ-CG 4.46Å
233I71.2Confident65.5Low31 Ų3184.4 Ų84.416%0.15944%0.443CS..  trans-119.233.3-174.8-39.1-178.7000111.1K229 D235 L236 V249 I250K229-I233 HydrophobicContact CG-CD1 4.44Å; K229-I233 WeakPolarHBondContact O-CA 3.4Å; K229-I233 VanDerWaalsContact O-CB 3.26Å; K229-I233 WeakPolarHBondContact O-CB 3.48Å; K229-I233 WeakPolarHBondContact O-CG1 3.3Å; K229-I233 PolarHBondContact O-N 3.35Å; I233-D235 PolarHBondContact O-N 3.46Å; I233-L236 HydrophobicContact CG2-CB 4.03Å; I233-L236 HydrophobicContact CG2-CD1 3.6Å; I233-L236 HydrophobicContact CG2-CG 3.74Å; I233-L236 PolarHBondContact O-N 3.44Å; I233-V249 WeakPolarHBondContact CD1-O 3.38Å; I233-I250 HydrophobicContact CD1-CG1 4.35Å
234S57.5Low62.9Low72 Ų7290.5 Ų90.550%0.50347%0.465SS..THydrogen-bonded Turntrans-63.9-7.9-169.3-29.90000116.6N230N230-S234 PolarHBondContact O-OG 3.36Å
235D51.6Low60.7Low88 Ų8893.3 Ų93.347%0.47149%0.494SS..THydrogen-bonded Turntrans-111.4-4.9-174.7-69.5-29.3000114K141 I233 K237K141-D235 WeakPolarHBondContact CB-OD2 3.48Å; K141-D235 WeakPolarHBondContact CD-OD2 3.4Å; I233-D235 PolarHBondContact O-N 3.46Å; D235-K237 PolarHBondContact O-N 2.92Å
236L51.6Low59.3Low87 Ų8796 Ų9646%0.45551%0.514SS..  trans-86.397.5173.8-65.2-170.6000110I233I233-L236 HydrophobicContact CG2-CB 4.03Å; I233-L236 HydrophobicContact CG2-CD1 3.6Å; I233-L236 HydrophobicContact CG2-CG 3.74Å; I233-L236 PolarHBondContact O-N 3.44Å
237K43.6Very low58.4Low195 Ų19595.2 Ų95.285%0.84851%0.51SS*.  trans-60138.8162.2-70.9-163.5169.2-151.20109.8D235 A239D235-K237 PolarHBondContact O-N 2.92Å; K237-A239 PolarHBondContact O-N 3.31Å
238E38.4Very low57.8Low197 Ų19793.6 Ų93.692%0.92150%0.504SS*.  trans-50.4126.1179.9-62.7142.3151.500110.9
239A38.8Very low57.5Low80 Ų8095.6 Ų95.666%0.66152%0.517SS*.  trans-140.780.8176.900000108.4K237 Q241K237-A239 PolarHBondContact O-N 3.31Å; A239-Q241 PolarHBondContact O-N 2.95Å
240D38.3Very low57.3Low170 Ų17092.1 Ų92.191%0.90950%0.501SS*.SBendtrans41.649.2161.3-55.6-25.8000116.9
241Q43.2Very low57.2Low150 Ų15089 Ų8970%0.70149%0.485SS*.  trans-99.4126.5162.8-76.1-76.7-17.900108.5A239 E243A239-Q241 PolarHBondContact O-N 2.95Å; Q241-E243 PolarHBondContact O-N 3.28Å
242P39.9Very low57.3Low104 Ų10486.9 Ų86.968%0.67547%0.474SS*.  trans-70117.1-179.427.1-32.7000110.7H244P242-H244 PolarHBondContact O-N 2.88Å
243E43.9Very low57.6Low152 Ų15288.1 Ų88.171%0.7148%0.481SS*.THydrogen-bonded Turntrans-69.857.6178.6-64.9-87.1148.100111.9K229 Q241K229-E243 VanDerWaalsContact NZ-CD 3.27Å; K229-E243 IonicContact NZ-OE1 2.67Å; K229-E243 PolarHBondContact NZ-OE1 3.46Å; K229-E243 IonicContact NZ-OE2 3.04Å; K229-E243 PolarHBondContact NZ-OE2 2.9Å; Q241-E243 PolarHBondContact O-N 3.28Å
244H36.5Very low58Low183 Ų18387.1 Ų87.185%0.84748%0.477SS*.THydrogen-bonded Turntrans-121.5-5.5-178.4-86.155.6000113.8P242P242-H244 PolarHBondContact O-N 2.88Å
245G46.2Very low58.9Low59 Ų5989.4 Ų89.461%0.60848%0.479SS*.  trans-89.5126.8166.900000111E247G245-E247 PolarHBondContact O-N 2.92Å
246S60.4Low59.8Low75 Ų7587.9 Ų87.952%0.52448%0.484SS..SBendtrans-78.232.6176.157.30000113.4R265S246-R265 PolarHBondContact O-N 3.31Å; S246-R265 VanDerWaalsContact O-N 3.13Å
247E68Low61Low98 Ų9887.5 Ų87.546%0.45848%0.483SS..EExtended strand (participates in β ladder)trans-133.4114.5-163.8-47.8-162165.100110.4G245 F263 K264G245-E247 PolarHBondContact O-N 2.92Å; E247-F263 CarbonylContact C-O 3.51Å; E247-F263 VanDerWaalsContact CA-O 3.31Å; E247-F263 WeakPolarHBondContact CA-O 3.4Å; E247-K264 HydrophobicContact CB-CG 4.34Å; E247-K264 HydrophobicContact CG-CD 4.22Å; E247-K264 HydrophobicContact CG-CG 3.97Å; E247-K264 WeakPolarHBondContact OE1-CD 3.28Å; E247-K264 VanDerWaalsContact OE1-CE 3.26Å; E247-K264 WeakPolarHBondContact OE1-CE 3.45Å; E247-K264 IonicContact OE1-NZ 2.69Å; E247-K264 PolarHBondContact OE1-NZ 2.98Å; E247-K264 WeakPolarHBondContact OE2-CE 3.46Å; E247-K264 IonicContact OE2-NZ 2.69Å; E247-K264 PolarHBondContact OE2-NZ 3.02Å
248C76.1Confident62.5Low15 Ų1580.4 Ų80.410%0.10145%0.452CS..EExtended strand (participates in β ladder)trans-105.6119.7176.9-179.20000110I225 C262 F263I225-C248 HydrophobicContact CG2-CB 3.41Å; I225-C248 VanDerWaalsContact CG2-CB 3.41Å; C248-C262 CarbonylContact O-C 3.58Å; C248-C262 WeakPolarHBondContact O-CA 3.43Å; C248-F263 HydrophobicContact CB-CB 4.43Å; C248-F263 PolarHBondContact N-O 2.91Å; C248-F263 PolarHBondContact O-N 2.99Å
249V80.3Confident64.5Low44 Ų4471.2 Ų71.227%0.26741%0.41SS..EExtended strand (participates in β ladder)trans-99.5118.5177.2-1770000109.7I233 F260 C262I233-V249 WeakPolarHBondContact CD1-O 3.38Å; V249-F260 HydrophobicContact CG1-CB 4.04Å; V249-F260 HydrophobicContact CG1-CD1 4Å; V249-F260 HydrophobicContact CG1-CG 4.41Å; V249-C262 HydrophobicContact CG2-CB 4.26Å
250I81.5Confident66.6Low0 Ų067.8 Ų67.80%038%0.38CS..EExtended strand (participates in β ladder)trans-109115.7-179.7-50.9-168.1000109.9L228 F232 I233 I252 V261 F263L228-I250 HydrophobicContact CB-CD1 3.74Å; L228-I250 WeakPolarHBondContact O-CD1 3.43Å; F232-I250 HydrophobicContact CB-CD1 4.46Å; F232-I250 HydrophobicContact CB-CG2 3.4Å; F232-I250 HydrophobicContact CD1-CG2 4.21Å; F232-I250 HydrophobicContact CG-CG2 3.88Å; I233-I250 HydrophobicContact CD1-CG1 4.35Å; I250-I252 HydrophobicContact CB-CD1 4.31Å; I250-I252 HydrophobicContact CG2-CD1 4.07Å; I250-I252 HydrophobicContact CG2-CG1 3.96Å; I250-V261 PolarHBondContact N-O 3.38Å; I250-V261 PolarHBondContact O-N 3.29Å; I250-F263 HydrophobicContact CD1-CD2 3.92Å; I250-F263 HydrophobicContact CD1-CE2 3.67Å; I250-F263 HydrophobicContact CG1-CD2 4.1Å; I250-F263 HydrophobicContact CG1-CE2 4.09Å
251P79.8Confident68.8Low15 Ų1559.7 Ų59.710%0.09734%0.337CS..EExtended strand (participates in β ladder)trans-78.5129.9174.630.2-31.6000111L168 F260L168-P251 HydrophobicContact CD2-CB 4.21Å; P251-F260 HydrophobicContact CB-CD1 4.02Å; P251-F260 HydrophobicContact CB-CE1 3.84Å
252I82.6Confident70.9Confident3 Ų353 Ų532%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-141136.3-171.3-63.1151.5000109.4F145 I250 V254 C259 V261 L365 L369F145-I252 HydrophobicContact CD2-CG2 3.36Å; F145-I252 HydrophobicContact CE2-CG2 3.56Å; I250-I252 HydrophobicContact CB-CD1 4.31Å; I250-I252 HydrophobicContact CG2-CD1 4.07Å; I250-I252 HydrophobicContact CG2-CG1 3.96Å; I252-V254 HydrophobicContact CG2-CG2 3.78Å; I252-C259 PolarHBondContact N-O 3.3Å; I252-C259 PolarHBondContact O-N 3.07Å; I252-C259 VanDerWaalsContact O-O 3.05Å; I252-V261 HydrophobicContact CD1-CB 3.91Å; I252-V261 HydrophobicContact CD1-CG2 3.47Å; I252-V261 VanDerWaalsContact CD1-CG2 3.47Å; I252-L365 HydrophobicContact CD1-CD1 3.78Å; I252-L365 HydrophobicContact CD1-CD2 3.67Å; I252-L365 HydrophobicContact CD1-CG 4.25Å; I252-L365 HydrophobicContact CG1-CD2 4.21Å; I252-L369 HydrophobicContact CG2-CD1 4.28Å
253L81Confident73.1Confident32 Ų3248.1 Ų48.117%0.16828%0.275CS..EExtended strand (participates in β ladder)trans-97.6119.2177-162.777.5000111V142 K143 T144 F145 E258V142-L253 HydrophobicContact CG1-CB 4.07Å; K143-L253 PolarHBondContact O-N 2.93Å; K143-L253 VanDerWaalsContact O-N 3.12Å; T144-L253 WeakPolarHBondContact CA-O 3.21Å; T144-L253 HydrophobicContact CG2-CB 4.16Å; T144-L253 HydrophobicContact CG2-CD2 4.14Å; F145-L253 PolarHBondContact N-O 2.71Å; L253-E258 HydrophobicContact CD1-CG 3.73Å
254V79.3Confident75Confident11 Ų1143 Ų437%0.06725%0.25CS..EExtended strand (participates in β ladder)trans-122.1107.3-169.8179.50000110.2I252 G256 N257 C259I252-V254 HydrophobicContact CG2-CG2 3.78Å; V254-G256 PolarHBondContact O-N 3.27Å; V254-G256 VanDerWaalsContact O-N 3.11Å; V254-N257 PolarHBondContact N-O 2.85Å; V254-N257 WeakPolarHBondContact O-CB 3.43Å; V254-N257 PolarHBondContact O-N 2.99Å; V254-N257 PolarHBondContact O-ND2 3.42Å; V254-C259 HydrophobicContact CB-CB 4.49Å; V254-C259 HydrophobicContact CG2-CB 3.98Å
255E76.5Confident77.3Confident119 Ų11940 Ų4056%0.55623%0.232SC*.THydrogen-bonded Turntrans5517.8-168.9-78174.8132.900114.9F145 V147 R373F145-E255 PolarHBondContact O-N 2.95Å; V147-E255 HydrophobicContact CB-CG 4.29Å; V147-E255 WeakPolarHBondContact CB-OE1 3.49Å; V147-E255 HydrophobicContact CG2-CG 3.91Å; V147-E255 WeakPolarHBondContact CG2-OE1 3.39Å; E255-R373 VanDerWaalsContact CG-NH2 3.27Å; E255-R373 IonicContact OE2-CZ 3.61Å; E255-R373 IonicContact OE2-NE 2.74Å; E255-R373 IonicContact OE2-NH2 2.67Å; E255-R373 PolarHBondContact OE2-NH2 3.13Å
256G70.2Confident78.4Confident56 Ų5637.8 Ų37.858%0.57721%0.208SC*.THydrogen-bonded Turntrans95.3-0.9-17400000114.6V254V254-G256 PolarHBondContact O-N 3.27Å; V254-G256 VanDerWaalsContact O-N 3.11Å
257N77.1Confident78.7Confident79 Ų7937.9 Ų37.942%0.42221%0.209SC..EExtended strand (participates in β ladder)trans-92.8138.5170.7-47.6-87.9000109.6V254V254-N257 PolarHBondContact N-O 2.85Å; V254-N257 WeakPolarHBondContact O-CB 3.43Å; V254-N257 PolarHBondContact O-N 2.99Å; V254-N257 PolarHBondContact O-ND2 3.42Å
258E75.3Confident78.3Confident46 Ų4637.5 Ų37.522%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-74.1133172.7-68.2176.4-164.800110V161 S167 L253V161-E258 WeakPolarHBondContact CG1-OE1 3.38Å; S167-E258 PolarHBondContact OG-OE2 3.49Å; S167-E258 VanDerWaalsContact OG-OE2 3.09Å; L253-E258 HydrophobicContact CD1-CG 3.73Å
259C80.4Confident77.8Confident5 Ų536.9 Ų36.93%0.03421%0.209CC..EExtended strand (participates in β ladder)trans-139.2138.6-178.5-67.60000109R207 F209 I252 V254R207-C259 WeakPolarHBondContact O-CA 3.32Å; F209-C259 HydrophobicContact CD2-CB 4.37Å; F209-C259 HydrophobicContact CE2-CB 4.03Å; I252-C259 PolarHBondContact N-O 3.3Å; I252-C259 PolarHBondContact O-N 3.07Å; I252-C259 VanDerWaalsContact O-O 3.05Å; V254-C259 HydrophobicContact CB-CB 4.49Å; V254-C259 HydrophobicContact CG2-CB 3.98Å
260F82Confident76.9Confident7 Ų736.1 Ų36.13%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-111.3130.4178.1-62.3-79.1000109S167 L168 E206 R207 I208 F209 V249 P251S167-F260 WeakPolarHBondContact O-CZ 3.43Å; L168-F260 HydrophobicContact CD2-CE1 4.07Å; L168-F260 HydrophobicContact CD2-CZ 4.39Å; E206-F260 HydrophobicContact CB-CD2 4.43Å; E206-F260 HydrophobicContact CB-CE2 4.26Å; E206-F260 HydrophobicContact CG-CE2 4.13Å; R207-F260 PolarHBondContact O-N 3.06Å; I208-F260 CarbonylContact C-O 3.55Å; I208-F260 WeakPolarHBondContact CA-O 3.35Å; I208-F260 HydrophobicContact CG1-CB 4.33Å; I208-F260 HydrophobicContact CG1-CD2 4.34Å; F209-F260 PolarHBondContact N-O 3.41Å; V249-F260 HydrophobicContact CG1-CB 4.04Å; V249-F260 HydrophobicContact CG1-CD1 4Å; V249-F260 HydrophobicContact CG1-CG 4.41Å; P251-F260 HydrophobicContact CB-CD1 4.02Å; P251-F260 HydrophobicContact CB-CE1 3.84Å
261V85.5Confident75.6Confident1 Ų143.7 Ų43.71%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-111.5110.3173.9-1770000108.4F209 V211 I250 I252 F263 L365 L369F209-V261 HydrophobicContact CB-CG2 4.21Å; F209-V261 HydrophobicContact CD2-CG2 4.27Å; F209-V261 WeakPolarHBondContact O-CA 3.35Å; V211-V261 HydrophobicContact CB-CG1 4.43Å; V211-V261 HydrophobicContact CG2-CG1 3.55Å; I250-V261 PolarHBondContact N-O 3.38Å; I250-V261 PolarHBondContact O-N 3.29Å; I252-V261 HydrophobicContact CD1-CB 3.91Å; I252-V261 HydrophobicContact CD1-CG2 3.47Å; I252-V261 VanDerWaalsContact CD1-CG2 3.47Å; V261-F263 HydrophobicContact CB-CE2 3.99Å; V261-F263 HydrophobicContact CG1-CD2 3.94Å; V261-F263 HydrophobicContact CG1-CE1 4.34Å; V261-F263 HydrophobicContact CG1-CE2 3.35Å; V261-F263 HydrophobicContact CG1-CZ 3.59Å; V261-L365 HydrophobicContact CB-CD1 4.48Å; V261-L365 HydrophobicContact CG1-CD1 4.34Å; V261-L365 HydrophobicContact CG2-CD1 4.24Å; V261-L369 HydrophobicContact CG2-CD2 3.98Å
262C85.6Confident74.3Confident10 Ų1052 Ų527%0.06828%0.275CS..EExtended strand (participates in β ladder)trans-94.8102.6-179.3-178.80000109.8F209 V211 C248 V249 K264F209-C262 PolarHBondContact O-N 3.27Å; V211-C262 PolarHBondContact N-O 2.7Å; C248-C262 CarbonylContact O-C 3.58Å; C248-C262 WeakPolarHBondContact O-CA 3.43Å; V249-C262 HydrophobicContact CG2-CB 4.26Å; C262-K264 WeakPolarHBondContact SG-CE 3.32Å
263F86.8Confident73Confident0 Ų053.2 Ų53.20%028%0.282CS..EExtended strand (participates in β ladder)trans-85.1115.1175.8-67.9-90.6000110.5V211 V213 I225 L228 E247 C248 I250 V261 I283 L365 L368V211-F263 HydrophobicContact CB-CD1 3.86Å; V211-F263 HydrophobicContact CB-CE1 4.07Å; V211-F263 HydrophobicContact CB-CG 4.44Å; V211-F263 HydrophobicContact CG1-CD1 3.74Å; V211-F263 HydrophobicContact CG1-CE1 3.78Å; V211-F263 HydrophobicContact CG2-CE1 4.41Å; V211-F263 CarbonylContact O-C 3.52Å; V211-F263 WeakPolarHBondContact O-CA 3.11Å; V213-F263 HydrophobicContact CG2-CD1 4.28Å; I225-F263 HydrophobicContact CG1-CB 4.26Å; I225-F263 HydrophobicContact CG2-CB 4.31Å; L228-F263 HydrophobicContact CD1-CD1 4.22Å; L228-F263 HydrophobicContact CD1-CE1 3.77Å; L228-F263 HydrophobicContact CD1-CE2 4.34Å; L228-F263 HydrophobicContact CD1-CZ 3.84Å; E247-F263 CarbonylContact C-O 3.51Å; E247-F263 VanDerWaalsContact CA-O 3.31Å; E247-F263 WeakPolarHBondContact CA-O 3.4Å; C248-F263 HydrophobicContact CB-CB 4.43Å; C248-F263 PolarHBondContact N-O 2.91Å; C248-F263 PolarHBondContact O-N 2.99Å; I250-F263 HydrophobicContact CD1-CD2 3.92Å; I250-F263 HydrophobicContact CD1-CE2 3.67Å; I250-F263 HydrophobicContact CG1-CD2 4.1Å; I250-F263 HydrophobicContact CG1-CE2 4.09Å; V261-F263 HydrophobicContact CB-CE2 3.99Å; V261-F263 HydrophobicContact CG1-CD2 3.94Å; V261-F263 HydrophobicContact CG1-CE1 4.34Å; V261-F263 HydrophobicContact CG1-CE2 3.35Å; V261-F263 HydrophobicContact CG1-CZ 3.59Å; F263-I283 HydrophobicContact CD1-CD1 4.38Å; F263-I283 HydrophobicContact CE1-CD1 4.09Å; F263-L365 HydrophobicContact CE2-CD1 4.4Å; F263-L365 HydrophobicContact CZ-CD1 3.98Å; F263-L368 HydrophobicContact CE1-CD1 4.11Å
264K84.3Confident71.3Confident44 Ų4455.1 Ų55.119%0.19130%0.297CS..EExtended strand (participates in β ladder)trans-109.8129.2178.1-56.4-166.6175.6-143.40110.5V211 Y212 V213 E247 C262 G266V211-K264 PolarHBondContact O-N 3.15Å; Y212-K264 WeakPolarHBondContact CA-O 3.37Å; Y212-K264 HydrophobicContact CD1-CB 3.92Å; Y212-K264 HydrophobicContact CE1-CB 4Å; Y212-K264 HydrophobicContact CE1-CD 3.94Å; Y212-K264 HydrophobicContact CE1-CG 4.46Å; V213-K264 PolarHBondContact N-O 3.21Å; E247-K264 HydrophobicContact CB-CG 4.34Å; E247-K264 HydrophobicContact CG-CD 4.22Å; E247-K264 HydrophobicContact CG-CG 3.97Å; E247-K264 WeakPolarHBondContact OE1-CD 3.28Å; E247-K264 VanDerWaalsContact OE1-CE 3.26Å; E247-K264 WeakPolarHBondContact OE1-CE 3.45Å; E247-K264 IonicContact OE1-NZ 2.69Å; E247-K264 PolarHBondContact OE1-NZ 2.98Å; E247-K264 WeakPolarHBondContact OE2-CE 3.46Å; E247-K264 IonicContact OE2-NZ 2.69Å; E247-K264 PolarHBondContact OE2-NZ 3.02Å; C262-K264 WeakPolarHBondContact SG-CE 3.32Å; K264-G266 PolarHBondContact O-N 2.98Å
265R84.1Confident69.8Low122 Ų12258.2 Ų58.246%0.4632%0.324SS..EExtended strand (participates in β ladder)trans-75.6105172.9-179.4179.3170.2179.4-4.6110I225 S246I225-R265 HydrophobicContact CD1-CB 4.07Å; S246-R265 PolarHBondContact O-N 3.31Å; S246-R265 VanDerWaalsContact O-N 3.13Å
266G70.2Confident68.4Low11 Ų1157.4 Ų57.411%0.11333%0.328CS..  trans-97.2127172.600000110.6V213 R221 K264V213-G266 PolarHBondContact O-N 2.79Å; V213-G266 VanDerWaalsContact O-N 3.14Å; R221-G266 PolarHBondContact NH1-O 2.74Å; K264-G266 PolarHBondContact O-N 2.98Å
267S65.2Low67.8Low77 Ų7757.5 Ų57.554%0.53832%0.315SS..SBendtrans-71-54.2171.9-167.80000110.1R221R221-S267 PolarHBondContact NH1-O 2.77Å
268T61Low67.1Low90 Ų9062.5 Ų62.555%0.55234%0.336SS*.SBendtrans-99.5171.4173.348.90000111.9
269V64.1Low67Low3 Ų363.7 Ų63.72%0.01834%0.341CS..  trans-62.2130163.5-1760000108.7I214 E271 L273 I300 I304 F308I214-V269 HydrophobicContact CD1-CG2 4.43Å; V269-E271 PolarHBondContact O-N 2.95Å; V269-E271 VanDerWaalsContact O-N 3.13Å; V269-L273 HydrophobicContact CG1-CD1 4.08Å; V269-I300 HydrophobicContact CG2-CG2 3.94Å; V269-I304 HydrophobicContact CG1-CG1 3.99Å; V269-I304 HydrophobicContact CG2-CD1 4.01Å; V269-I304 HydrophobicContact CG2-CG1 3.72Å; V269-F308 HydrophobicContact CG1-CE2 4.16Å
270P61.6Low67.1Low28 Ų2863.7 Ų63.718%0.18234%0.341CS..  trans-68.6110.217722.7-28.5000111Y212 K272 L273Y212-P270 HydrophobicContact CD1-CG 4.02Å; Y212-P270 HydrophobicContact CD2-CG 4.26Å; Y212-P270 HydrophobicContact CE1-CB 4.46Å; Y212-P270 HydrophobicContact CE1-CG 4.11Å; Y212-P270 HydrophobicContact CE2-CG 4.35Å; Y212-P270 HydrophobicContact CG-CG 4.1Å; P270-K272 PolarHBondContact O-N 3.03Å; P270-L273 HydrophobicContact CG-CD1 4.06Å; P270-L273 HydrophobicContact CG-CG 4.01Å; P270-L273 WeakPolarHBondContact O-CG 3.25Å; P270-L273 PolarHBondContact O-N 2.84Å; P270-L273 VanDerWaalsContact O-N 3.11Å
271E54.6Low67.4Low158 Ų15863.4 Ų63.474%0.73834%0.34SS*.THydrogen-bonded Turntrans-59.3-13.7177.3-59.1177.616200113.3V269V269-E271 PolarHBondContact O-N 2.95Å; V269-E271 VanDerWaalsContact O-N 3.13Å
272K52Low67.6Low191 Ų19163.4 Ų63.483%0.8334%0.34SS*.THydrogen-bonded Turntrans-99.537.2173.8-63.4-173.8179.6-179.70113.3P270 S274P270-K272 PolarHBondContact O-N 3.03Å; K272-S274 PolarHBondContact O-N 3.26Å
273L56.6Low67.9Low28 Ų2862.9 Ų62.915%0.14734%0.337CS..  trans-72.762.8161-81.5162.1000110V269 P270 T280 L282 F308V269-L273 HydrophobicContact CG1-CD1 4.08Å; P270-L273 HydrophobicContact CG-CD1 4.06Å; P270-L273 HydrophobicContact CG-CG 4.01Å; P270-L273 WeakPolarHBondContact O-CG 3.25Å; P270-L273 PolarHBondContact O-N 2.84Å; P270-L273 VanDerWaalsContact O-N 3.11Å; L273-T280 HydrophobicContact CD2-CG2 3.91Å; L273-L282 HydrophobicContact CD1-CD1 4.48Å; L273-F308 HydrophobicContact CB-CD1 4.15Å; L273-F308 HydrophobicContact CB-CE1 3.32Å; L273-F308 HydrophobicContact CB-CE2 4.49Å; L273-F308 HydrophobicContact CB-CZ 3.55Å; L273-F308 HydrophobicContact CD1-CD2 4.38Å; L273-F308 HydrophobicContact CD1-CE1 4.1Å; L273-F308 HydrophobicContact CD1-CE2 3.79Å; L273-F308 HydrophobicContact CD1-CZ 3.65Å; L273-F308 HydrophobicContact CG-CE1 4.34Å; L273-F308 HydrophobicContact CG-CZ 4.23Å
274S44.7Very low68.3Low71 Ų7162.9 Ų62.950%0.49734%0.337SS..  trans-63.9148.4171.647.70000110.5K272 T276K272-S274 PolarHBondContact O-N 3.26Å; S274-T276 PolarHBondContact O-N 3.17Å; S274-T276 PolarHBondContact OG-OG1 3.22Å
275A47.7Very low68.8Low77 Ų7760.8 Ų60.864%0.63633%0.328SS*.THydrogen-bonded Turntrans-69.621.7-171.200000115.6N315A275-N315 WeakPolarHBondContact CB-ND2 3.25Å
276T46.7Very low69.4Low102 Ų10255 Ų5563%0.62631%0.306SS*.THydrogen-bonded Turntrans-94-25.9-179.445.10000113.1S274 E278S274-T276 PolarHBondContact O-N 3.17Å; S274-T276 PolarHBondContact OG-OG1 3.22Å; T276-E278 PolarHBondContact O-N 3.48Å
277D59Low70.6Confident57 Ų5755 Ų5531%0.30530%0.303SS..  trans-9965-162.8-70.734.5000111.9K210 Q279 T280K210-D277 WeakPolarHBondContact CD-OD2 3.5Å; K210-D277 WeakPolarHBondContact CE-OD2 3.33Å; K210-D277 IonicContact NZ-OD2 2.64Å; K210-D277 PolarHBondContact NZ-OD2 2.84Å; D277-Q279 PolarHBondContact O-N 3.17Å; D277-T280 VanDerWaalsContact CB-OG1 3.31Å; D277-T280 WeakPolarHBondContact CB-OG1 3.42Å; D277-T280 PolarHBondContact O-N 2.66Å; D277-T280 VanDerWaalsContact O-N 3.1Å; D277-T280 PolarHBondContact O-OG1 2.88Å; D277-T280 VanDerWaalsContact O-OG1 3.13Å
278E61.5Low72.1Confident184 Ų18451.3 Ų51.386%0.8628%0.277SS*.THydrogen-bonded Turntrans-52-16.1178.2-64-168.1150.800114.7T276T276-E278 PolarHBondContact O-N 3.48Å
279Q73.5Confident73.7Confident71 Ų7148.9 Ų48.933%0.33226%0.263SS..THydrogen-bonded Turntrans-10624.3-176-62.3-178.140.300112.7F209 K210 D277F209-Q279 CarbonylContact C-O 3.42Å; F209-Q279 VanDerWaalsContact CA-O 3.27Å; F209-Q279 WeakPolarHBondContact CA-O 3.42Å; F209-Q279 HydrophobicContact CD1-CB 3.73Å; F209-Q279 HydrophobicContact CD1-CG 4.17Å; F209-Q279 HydrophobicContact CE1-CB 4.2Å; F209-Q279 HydrophobicContact CE1-CG 4.13Å; K210-Q279 PolarHBondContact N-O 2.87Å; D277-Q279 PolarHBondContact O-N 3.17Å
280T82.1Confident75.2Confident6 Ų650.2 Ų50.24%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-98.1137178.1-55.70000113.3K210 Y212 L273 D277 P318K210-T280 HydrophobicContact CB-CG2 4.47Å; K210-T280 CarbonylContact O-C 3.55Å; K210-T280 VanDerWaalsContact O-CA 3.27Å; K210-T280 WeakPolarHBondContact O-CA 3.22Å; Y212-T280 HydrophobicContact CD2-CG2 3.77Å; Y212-T280 HydrophobicContact CE2-CG2 3.79Å; L273-T280 HydrophobicContact CD2-CG2 3.91Å; D277-T280 VanDerWaalsContact CB-OG1 3.31Å; D277-T280 WeakPolarHBondContact CB-OG1 3.42Å; D277-T280 PolarHBondContact O-N 2.66Å; D277-T280 VanDerWaalsContact O-N 3.1Å; D277-T280 PolarHBondContact O-OG1 2.88Å; D277-T280 VanDerWaalsContact O-OG1 3.13Å; T280-P318 WeakPolarHBondContact O-CD 3.29Å; T280-P318 WeakPolarHBondContact O-CG 3.42Å
281A87.7Confident76.7Confident1 Ų151.4 Ų51.41%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-126.9158.8166.500000112.1K210 V211 Y212 P318 L368 L372K210-A281 PolarHBondContact O-N 2.65Å; V211-A281 WeakPolarHBondContact CA-O 3.44Å; V211-A281 HydrophobicContact CG2-CB 4.47Å; Y212-A281 PolarHBondContact N-O 3.05Å; A281-P318 WeakPolarHBondContact CA-O 3.29Å; A281-P318 HydrophobicContact CB-CG 3.97Å; A281-L368 HydrophobicContact CB-CD2 4.07Å; A281-L372 HydrophobicContact CB-CD1 4.12Å; A281-L372 HydrophobicContact CB-CD2 3.7Å; A281-L372 HydrophobicContact CB-CG 3.88Å
282L89.9Confident78.7Confident0 Ų050.8 Ų50.80%027%0.274CS..EExtended strand (participates in β ladder)trans-119.4124.2177.6-53.7178.2000110.6Y212 I214 L273 I304 V317 P318 M319 L320Y212-L282 HydrophobicContact CD2-CD2 4.07Å; Y212-L282 HydrophobicContact CG-CD2 4.32Å; I214-L282 HydrophobicContact CD1-CD2 4.15Å; L273-L282 HydrophobicContact CD1-CD1 4.48Å; L282-I304 HydrophobicContact CD1-CD1 3.71Å; L282-I304 HydrophobicContact CD1-CG1 4.11Å; L282-I304 HydrophobicContact CD1-CG2 3.88Å; L282-V317 HydrophobicContact CD1-CG1 3.91Å; L282-V317 HydrophobicContact CG-CG1 3.8Å; L282-P318 PolarHBondContact N-O 2.88Å; L282-M319 HydrophobicContact CB-CG 4.33Å; L282-M319 HydrophobicContact CD1-CG 4.49Å; L282-M319 WeakPolarHBondContact O-CA 3.38Å; L282-L320 PolarHBondContact O-N 3.1Å
283I93.6Very high80.7Confident0 Ų042 Ų420%024%0.236CC..EExtended strand (participates in β ladder)trans-93.5131.2163.4-58.3177.5000107.8V211 Y212 V213 I214 L224 F263 M285 L320 I322 V364 L368V211-I283 HydrophobicContact CG1-CD1 3.8Å; V211-I283 HydrophobicContact CG1-CG1 3.76Å; Y212-I283 PolarHBondContact O-N 3.1Å; V213-I283 HydrophobicContact CG1-CB 4.42Å; V213-I283 HydrophobicContact CG1-CG2 4.37Å; V213-I283 HydrophobicContact CG2-CD1 4.12Å; I214-I283 PolarHBondContact N-O 3.32Å; L224-I283 HydrophobicContact CD2-CD1 4.29Å; F263-I283 HydrophobicContact CD1-CD1 4.38Å; F263-I283 HydrophobicContact CE1-CD1 4.09Å; I283-M285 HydrophobicContact CG2-CG 3.8Å; I283-L320 WeakPolarHBondContact CA-O 3.36Å; I283-I322 HydrophobicContact CG2-CD1 3.45Å; I283-I322 VanDerWaalsContact CG2-CD1 3.45Å; I283-I322 HydrophobicContact CG2-CG1 3.98Å; I283-V364 HydrophobicContact CD1-CG1 3.92Å; I283-L368 HydrophobicContact CD1-CD1 3.77Å; I283-L368 HydrophobicContact CG1-CD1 3.97Å; I283-L368 HydrophobicContact CG1-CD2 4.16Å
284I93.9Very high82.5Confident0 Ų041.9 Ų41.90%024%0.235CC..EExtended strand (participates in β ladder)trans-117.8113.2173.3-57.8170.3000107.4I214 A297 I300 M301 I304 M319 L320 L321 I322I214-I284 CarbonylContact O-C 3.57Å; I214-I284 WeakPolarHBondContact O-CA 3.33Å; I284-A297 HydrophobicContact CG2-CB 3.8Å; I284-I300 HydrophobicContact CD1-CG2 4.17Å; I284-I300 HydrophobicContact CG1-CG2 4.36Å; I284-I300 HydrophobicContact CG2-CG2 4.46Å; I284-M301 HydrophobicContact CD1-CB 4.49Å; I284-M301 HydrophobicContact CD1-CG 3.44Å; I284-M301 VanDerWaalsContact CD1-CG 3.44Å; I284-M301 HydrophobicContact CG2-CG 4.46Å; I284-I304 HydrophobicContact CD1-CD1 3.7Å; I284-I304 HydrophobicContact CG1-CD1 4.49Å; I284-M319 HydrophobicContact CD1-SD 4.26Å; I284-L320 PolarHBondContact N-O 2.93Å; I284-L321 HydrophobicContact CB-CD1 4.33Å; I284-L321 HydrophobicContact CG2-CD1 4.14Å; I284-L321 WeakPolarHBondContact O-CA 3.38Å; I284-I322 PolarHBondContact O-N 2.91Å
285M95.4Very high84.9Confident0 Ų040.6 Ų40.60%023%0.225CC..EExtended strand (participates in β ladder)trans-103.5135.8-178.1-63-175.371.200111.5V213 I214 G215 V219 R221 L224 I283 I322 N324V213-M285 HydrophobicContact CG1-CG 4.2Å; V213-M285 HydrophobicContact CG1-SD 3.64Å; I214-M285 PolarHBondContact O-N 3.44Å; G215-M285 VanDerWaalsContact CA-O 3.24Å; G215-M285 WeakPolarHBondContact CA-O 3.21Å; V219-M285 HydrophobicContact CG2-CB 3.76Å; R221-M285 HydrophobicContact CB-SD 4.36Å; R221-M285 HydrophobicContact CG-CB 4.48Å; R221-M285 HydrophobicContact CG-SD 3.96Å; L224-M285 HydrophobicContact CB-CE 4.06Å; L224-M285 HydrophobicContact CB-SD 4.12Å; L224-M285 HydrophobicContact CD2-CE 3.96Å; L224-M285 HydrophobicContact CD2-CG 4.47Å; L224-M285 HydrophobicContact CD2-SD 3.53Å; L224-M285 VanDerWaalsContact CD2-SD 3.53Å; L224-M285 HydrophobicContact CG-SD 4.45Å; I283-M285 HydrophobicContact CG2-CG 3.8Å; M285-I322 WeakPolarHBondContact CA-O 3.47Å; M285-I322 HydrophobicContact CG-CB 4.33Å; M285-N324 HydrophobicContact CE-CB 3.92Å
286Y96.2Very high87.1Confident1 Ų139.1 Ų39.10%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-127.2170.6164.172.2-85.6000110.4V288 F294 L321 I322 N324 I334 F350Y286-V288 HydrophobicContact CE2-CG1 4.13Å; Y286-F294 HydrophobicContact CD1-CD2 4.06Å; Y286-F294 HydrophobicContact CD2-CB 3.99Å; Y286-F294 AromaticContact CD2-CD2 3.8Å; Y286-F294 HydrophobicContact CD2-CD2 3.8Å; Y286-F294 HydrophobicContact CD2-CG 4.35Å; Y286-F294 AromaticContact CE1-CD2 3.98Å; Y286-F294 HydrophobicContact CE1-CD2 3.98Å; Y286-F294 HydrophobicContact CE1-CE2 4.26Å; Y286-F294 AromaticContact CE2-CD2 3.72Å; Y286-F294 HydrophobicContact CE2-CD2 3.72Å; Y286-F294 HydrophobicContact CE2-CE2 4.38Å; Y286-F294 HydrophobicContact CE2-CG 4.49Å; Y286-F294 HydrophobicContact CG-CB 4.34Å; Y286-F294 AromaticContact CG-CD2 3.96Å; Y286-F294 HydrophobicContact CG-CD2 3.96Å; Y286-F294 AromaticContact CZ-CD2 3.8Å; Y286-L321 HydrophobicContact CD1-CD1 3.78Å; Y286-L321 HydrophobicContact CD1-CG 4.3Å; Y286-L321 HydrophobicContact CE1-CD1 3.98Å; Y286-L321 HydrophobicContact CE1-CD2 4.28Å; Y286-L321 HydrophobicContact CE1-CG 3.99Å; Y286-I322 VanDerWaalsContact CD1-O 3.25Å; Y286-I322 WeakPolarHBondContact CD1-O 3.39Å; Y286-I322 PolarHBondContact N-O 2.96Å; Y286-N324 PolarHBondContact O-N 3.11Å; Y286-I334 HydrophobicContact CD2-CD1 3.83Å; Y286-I334 HydrophobicContact CE2-CB 4.45Å; Y286-I334 HydrophobicContact CE2-CD1 3.84Å; Y286-I334 HydrophobicContact CE2-CG2 4.08Å; Y286-F350 HydrophobicContact CE1-CE2 4.13Å; Y286-F350 WeakPolarHBondContact OH-CE2 3.26Å
287D96Very high89.3Confident9 Ų934.3 Ų34.35%0.04818%0.179CC..EExtended strand (participates in β ladder)trans-103.5123.2177.2-174.2-11.7000109.6V219 T289 S290 T293 K325 I334V219-D287 HydrophobicContact CG1-CB 4.25Å; D287-T289 PolarHBondContact O-N 3.47Å; D287-T289 VanDerWaalsContact O-N 3.09Å; D287-T289 PolarHBondContact OD1-N 3.13Å; D287-T289 PolarHBondContact OD1-OG1 2.55Å; D287-T289 VanDerWaalsContact OD1-OG1 3.13Å; D287-T289 PolarHBondContact OD2-OG1 3.11Å; D287-S290 PolarHBondContact O-N 3.11Å; D287-S290 VanDerWaalsContact O-N 3.09Å; D287-T293 HydrophobicContact CB-CG2 4.04Å; D287-T293 PolarHBondContact N-OG1 3.42Å; D287-T293 PolarHBondContact O-OG1 2.87Å; D287-K325 WeakPolarHBondContact OD1-CD 3.4Å; D287-K325 WeakPolarHBondContact OD2-CD 3.15Å; D287-K325 VanDerWaalsContact OD2-CE 3.22Å; D287-K325 WeakPolarHBondContact OD2-CE 3.32Å; D287-K325 IonicContact OD2-NZ 2.71Å; D287-K325 PolarHBondContact OD2-NZ 3.09Å; D287-I334 VanDerWaalsContact O-CD1 3.31Å; D287-I334 WeakPolarHBondContact O-CD1 3.34Å
288V96Very high90.9Very high0 Ų032.2 Ų32.20%017%0.169CC..THydrogen-bonded Turntrans-63.8-14.8179.5-580000113.2Y286 N324 K325 V326 A333 I334Y286-V288 HydrophobicContact CE2-CG1 4.13Å; V288-N324 WeakPolarHBondContact CG2-O 3.22Å; V288-N324 PolarHBondContact N-O 2.88Å; V288-K325 WeakPolarHBondContact CG2-O 3.41Å; V288-V326 HydrophobicContact CG1-CG2 4.14Å; V288-A333 PolarHBondContact O-N 2.72Å; V288-I334 PolarHBondContact O-N 3.14Å
289T95.4Very high92.3Very high40 Ų4026 Ų2625%0.24514%0.142CC..THydrogen-bonded Turntrans-93.3-2.9175.976.30000114.4D287 L328 H331D287-T289 PolarHBondContact O-N 3.47Å; D287-T289 VanDerWaalsContact O-N 3.09Å; D287-T289 PolarHBondContact OD1-N 3.13Å; D287-T289 PolarHBondContact OD1-OG1 2.55Å; D287-T289 VanDerWaalsContact OD1-OG1 3.13Å; D287-T289 PolarHBondContact OD2-OG1 3.11Å; T289-L328 HydrophobicContact CG2-CB 3.56Å; T289-L328 HydrophobicContact CG2-CD1 3.92Å; T289-L328 HydrophobicContact CG2-CG 4.39Å; T289-H331 WeakPolarHBondContact CA-O 3.35Å; T289-H331 VanDerWaalsContact CB-O 3.25Å; T289-H331 WeakPolarHBondContact CB-O 3.42Å; T289-H331 HydrophobicContact CG2-CB 3.87Å; T289-H331 WeakPolarHBondContact CG2-O 3.19Å
290S94.8Very high93Very high31 Ų3123.5 Ų23.522%0.21713%0.131CC..  trans-135.2111.3179.8179.40000113.4D287 E292 T293 I334D287-S290 PolarHBondContact O-N 3.11Å; D287-S290 VanDerWaalsContact O-N 3.09Å; S290-E292 PolarHBondContact O-N 3.06Å; S290-T293 PolarHBondContact O-N 3.09Å; S290-T293 PolarHBondContact O-OG1 3.33Å; S290-I334 WeakPolarHBondContact O-CD1 3.42Å
291N94.3Very high93.4Very high52 Ų5223.3 Ų23.328%0.27813%0.13SC..Hα-helixtrans-62.6-28.3178.1-153.8-77.2000112.7F294 S295 Q417N291-F294 PolarHBondContact O-N 2.91Å; N291-S295 PolarHBondContact O-N 3.25Å; N291-Q417 PolarHBondContact OD1-NE2 3.32Å
292E94.7Very high93.4Very high145 Ų14528.1 Ų28.168%0.67815%0.148SC*.Hα-helixtrans-60.4-48.5175.5-59.8-177.4145.300110.7S290 F294 S295 V296S290-E292 PolarHBondContact O-N 3.06Å; E292-F294 PolarHBondContact O-N 2.75Å; E292-S295 WeakPolarHBondContact O-CB 3.43Å; E292-S295 PolarHBondContact O-N 2.91Å; E292-S295 VanDerWaalsContact O-N 3.1Å; E292-V296 WeakPolarHBondContact O-CG2 3.42Å; E292-V296 PolarHBondContact O-N 2.98Å
293T94.6Very high93.2Very high8 Ų833.7 Ų33.75%0.04917%0.169CC..Hα-helixtrans-61.1-30.7178.474.40000112.6E216 V219 D287 S290 A297E216-T293 HydrophobicContact CB-CG2 4.12Å; E216-T293 HydrophobicContact CG-CG2 4.42Å; E216-T293 WeakPolarHBondContact OE2-CA 3.18Å; E216-T293 WeakPolarHBondContact OE2-CG2 3.13Å; E216-T293 PolarHBondContact OE2-N 2.99Å; V219-T293 HydrophobicContact CG1-CG2 3.74Å; D287-T293 HydrophobicContact CB-CG2 4.04Å; D287-T293 PolarHBondContact N-OG1 3.42Å; D287-T293 PolarHBondContact O-OG1 2.87Å; S290-T293 PolarHBondContact O-N 3.09Å; S290-T293 PolarHBondContact O-OG1 3.33Å; T293-A297 WeakPolarHBondContact O-CB 3.24Å; T293-A297 PolarHBondContact O-N 2.65Å
294F95.6Very high92.6Very high25 Ų2533.8 Ų33.811%0.1117%0.17CC..Hα-helixtrans-76.9-39.1177.1-180-107.6000112.2Y286 N291 E292 V296 A297 A298 I334 E338 L342Y286-F294 HydrophobicContact CD1-CD2 4.06Å; Y286-F294 HydrophobicContact CD2-CB 3.99Å; Y286-F294 AromaticContact CD2-CD2 3.8Å; Y286-F294 HydrophobicContact CD2-CD2 3.8Å; Y286-F294 HydrophobicContact CD2-CG 4.35Å; Y286-F294 AromaticContact CE1-CD2 3.98Å; Y286-F294 HydrophobicContact CE1-CD2 3.98Å; Y286-F294 HydrophobicContact CE1-CE2 4.26Å; Y286-F294 AromaticContact CE2-CD2 3.72Å; Y286-F294 HydrophobicContact CE2-CD2 3.72Å; Y286-F294 HydrophobicContact CE2-CE2 4.38Å; Y286-F294 HydrophobicContact CE2-CG 4.49Å; Y286-F294 HydrophobicContact CG-CB 4.34Å; Y286-F294 AromaticContact CG-CD2 3.96Å; Y286-F294 HydrophobicContact CG-CD2 3.96Å; Y286-F294 AromaticContact CZ-CD2 3.8Å; N291-F294 PolarHBondContact O-N 2.91Å; E292-F294 PolarHBondContact O-N 2.75Å; F294-V296 VanDerWaalsContact C-N 3.34Å; F294-A297 PolarHBondContact O-N 3.23Å; F294-A298 WeakPolarHBondContact O-CB 3.42Å; F294-A298 PolarHBondContact O-N 3.07Å; F294-I334 HydrophobicContact CB-CD1 3.54Å; F294-I334 HydrophobicContact CB-CG1 4.11Å; F294-I334 HydrophobicContact CD1-CG1 4.43Å; F294-I334 HydrophobicContact CD1-CG2 4.4Å; F294-I334 HydrophobicContact CD2-CG2 4.17Å; F294-I334 HydrophobicContact CE1-CG2 4.42Å; F294-I334 HydrophobicContact CE2-CG2 4.19Å; F294-I334 HydrophobicContact CG-CD1 4.08Å; F294-I334 HydrophobicContact CG-CG1 4.23Å; F294-I334 HydrophobicContact CG-CG2 4.27Å; F294-I334 HydrophobicContact CZ-CG2 4.31Å; F294-E338 HydrophobicContact CZ-CB 4.3Å; F294-L342 HydrophobicContact CD2-CD2 4.22Å; F294-L342 HydrophobicContact CE2-CB 4.33Å; F294-L342 HydrophobicContact CE2-CD2 3.54Å; F294-L342 HydrophobicContact CZ-CB 4.08Å; F294-L342 HydrophobicContact CZ-CD2 3.75Å; F294-L342 HydrophobicContact CZ-CG 4.45Å
295S94.2Very high92.1Very high43 Ų4335.4 Ų35.430%0.30118%0.18SC..Hα-helixtrans-61.6-43.5170-173.50000111.2N291 E292 A298 D299N291-S295 PolarHBondContact O-N 3.25Å; E292-S295 WeakPolarHBondContact O-CB 3.43Å; E292-S295 PolarHBondContact O-N 2.91Å; E292-S295 VanDerWaalsContact O-N 3.1Å; S295-A298 PolarHBondContact O-N 3.15Å; S295-D299 PolarHBondContact O-N 3.4Å
296V93.1Very high91.3Very high47 Ų4738.1 Ų38.129%0.28520%0.199SC..Hα-helixtrans-62.4-44.1175.5171.10000111.1E216 E292 F294 A298 D299 I300E216-V296 HydrophobicContact CB-CG1 4.2Å; E292-V296 WeakPolarHBondContact O-CG2 3.42Å; E292-V296 PolarHBondContact O-N 2.98Å; F294-V296 VanDerWaalsContact C-N 3.34Å; V296-A298 PolarHBondContact O-N 3.28Å; V296-D299 PolarHBondContact O-N 3.25Å; V296-I300 HydrophobicContact CG1-CD1 3.77Å; V296-I300 WeakPolarHBondContact O-CD1 3.43Å; V296-I300 VanDerWaalsContact O-CG1 3.27Å; V296-I300 WeakPolarHBondContact O-CG1 3.35Å; V296-I300 PolarHBondContact O-N 2.84Å
297A93Very high90.2Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-60.2-42.1173.700000112.5I284 T293 F294 I300 M301 L321I284-A297 HydrophobicContact CG2-CB 3.8Å; T293-A297 WeakPolarHBondContact O-CB 3.24Å; T293-A297 PolarHBondContact O-N 2.65Å; F294-A297 PolarHBondContact O-N 3.23Å; A297-I300 PolarHBondContact O-N 2.96Å; A297-M301 VanDerWaalsContact O-CG 3.3Å; A297-M301 WeakPolarHBondContact O-CG 3.21Å; A297-M301 PolarHBondContact O-N 3.44Å; A297-L321 HydrophobicContact CB-CD1 4.43Å
298A92.5Very high88.8Confident13 Ų1342.8 Ų42.811%0.10722%0.22CC..Hα-helixtrans-65.1-39176.800000112.8F294 S295 V296 M301 Y302 L342F294-A298 WeakPolarHBondContact O-CB 3.42Å; F294-A298 PolarHBondContact O-N 3.07Å; S295-A298 PolarHBondContact O-N 3.15Å; V296-A298 PolarHBondContact O-N 3.28Å; A298-M301 PolarHBondContact O-N 3.25Å; A298-Y302 WeakPolarHBondContact O-CB 3.42Å; A298-Y302 PolarHBondContact O-N 3.41Å; A298-L342 HydrophobicContact CB-CD1 3.89Å; A298-L342 HydrophobicContact CB-CD2 3.94Å
299D91.6Very high87.1Confident53 Ų5345.2 Ų45.228%0.28323%0.233SC..Hα-helixtrans-67-37.9173.5-89.3-38.8000112.2S295 V296 Y302 R303 R414S295-D299 PolarHBondContact O-N 3.4Å; V296-D299 PolarHBondContact O-N 3.25Å; D299-Y302 PolarHBondContact O-N 2.92Å; D299-R303 WeakPolarHBondContact O-CG 3.39Å; D299-R303 PolarHBondContact O-N 2.9Å; D299-R414 IonicContact OD1-CZ 2.95Å; D299-R414 IonicContact OD1-NH1 3.65Å; D299-R414 PolarHBondContact OD1-NH1 3.41Å; D299-R414 IonicContact OD1-NH2 3.84Å; D299-R414 PolarHBondContact OD1-NH2 2.79Å; D299-R414 IonicContact OD2-CZ 3.24Å; D299-R414 IonicContact OD2-NH1 2.79Å; D299-R414 PolarHBondContact OD2-NH1 3.2Å; D299-R414 IonicContact OD2-NH2 2.92Å
300I89.4Confident85.3Confident20 Ų2046.2 Ų46.210%0.10324%0.237CC..Hα-helixtrans-63.3-46.5173.4-70.3161.3000110.7I214 V269 I284 V296 A297 Y302 R303 I304I214-I300 HydrophobicContact CG2-CD1 4.17Å; I214-I300 HydrophobicContact CG2-CG2 4.11Å; V269-I300 HydrophobicContact CG2-CG2 3.94Å; I284-I300 HydrophobicContact CD1-CG2 4.17Å; I284-I300 HydrophobicContact CG1-CG2 4.36Å; I284-I300 HydrophobicContact CG2-CG2 4.46Å; V296-I300 HydrophobicContact CG1-CD1 3.77Å; V296-I300 WeakPolarHBondContact O-CD1 3.43Å; V296-I300 VanDerWaalsContact O-CG1 3.27Å; V296-I300 WeakPolarHBondContact O-CG1 3.35Å; V296-I300 PolarHBondContact O-N 2.84Å; A297-I300 PolarHBondContact O-N 2.96Å; I300-Y302 VanDerWaalsContact C-N 3.33Å; I300-Y302 PolarHBondContact O-N 3.32Å; I300-R303 PolarHBondContact O-N 2.94Å; I300-I304 HydrophobicContact CG2-CD1 3.74Å; I300-I304 WeakPolarHBondContact O-CD1 3.44Å; I300-I304 VanDerWaalsContact O-CG1 3.32Å; I300-I304 WeakPolarHBondContact O-CG1 3.27Å; I300-I304 PolarHBondContact O-N 2.95Å
301M89.5Confident83.4Confident1 Ų148.9 Ų48.91%0.00525%0.253CS..Hα-helixtrans-60.4-40.9174.6-70.6177.980.900112.4I284 A297 A298 T305 L321 L342 Y346 C348I284-M301 HydrophobicContact CD1-CB 4.49Å; I284-M301 HydrophobicContact CD1-CG 3.44Å; I284-M301 VanDerWaalsContact CD1-CG 3.44Å; I284-M301 HydrophobicContact CG2-CG 4.46Å; A297-M301 VanDerWaalsContact O-CG 3.3Å; A297-M301 WeakPolarHBondContact O-CG 3.21Å; A297-M301 PolarHBondContact O-N 3.44Å; A298-M301 PolarHBondContact O-N 3.25Å; M301-T305 WeakPolarHBondContact O-CB 3.42Å; M301-T305 PolarHBondContact O-N 3.18Å; M301-T305 PolarHBondContact O-OG1 2.71Å; M301-L321 HydrophobicContact SD-CD1 3.96Å; M301-L321 HydrophobicContact SD-CD2 4.11Å; M301-L321 HydrophobicContact SD-CG 4.45Å; M301-L342 HydrophobicContact SD-CD2 3.91Å; M301-L342 HydrophobicContact SD-CG 4.04Å; M301-Y346 HydrophobicContact CB-CD2 4.01Å; M301-Y346 HydrophobicContact CB-CE1 4.48Å; M301-Y346 HydrophobicContact CB-CE2 3.93Å; M301-Y346 HydrophobicContact CB-CG 4.33Å; M301-Y346 HydrophobicContact CE-CD2 3.48Å; M301-Y346 VanDerWaalsContact CE-CD2 3.48Å; M301-Y346 HydrophobicContact CE-CE2 4.37Å; M301-Y346 HydrophobicContact CE-CG 3.86Å; M301-Y346 HydrophobicContact SD-CD2 4.16Å; M301-C348 WeakPolarHBondContact CE-SG 3.46Å
302Y88.1Confident81.3Confident102 Ų10254.9 Ų54.940%0.428%0.28SS..Hα-helixtrans-62.6-44.5176.5-179.8-97.4000112A298 D299 I300 S306A298-Y302 WeakPolarHBondContact O-CB 3.42Å; A298-Y302 PolarHBondContact O-N 3.41Å; D299-Y302 PolarHBondContact O-N 2.92Å; I300-Y302 VanDerWaalsContact C-N 3.33Å; I300-Y302 PolarHBondContact O-N 3.32Å; Y302-S306 VanDerWaalsContact O-CB 3.28Å; Y302-S306 WeakPolarHBondContact O-CB 3.28Å; Y302-S306 PolarHBondContact O-N 2.89Å; Y302-S306 PolarHBondContact O-OG 3.3Å
303R85.3Confident79.3Confident118 Ų11853.9 Ų53.945%0.44527%0.273SS..Hα-helixtrans-58.9-56174.9-76-179.662.2174.9-0.1111.3D299 I300 T305 S306 E307D299-R303 WeakPolarHBondContact O-CG 3.39Å; D299-R303 PolarHBondContact O-N 2.9Å; I300-R303 PolarHBondContact O-N 2.94Å; R303-T305 VanDerWaalsContact C-N 3.28Å; R303-T305 PolarHBondContact O-N 2.72Å; R303-S306 PolarHBondContact O-N 3.46Å; R303-E307 WeakPolarHBondContact O-CB 3.38Å; R303-E307 PolarHBondContact O-N 2.82Å
304I82Confident77.4Confident2 Ų260.9 Ų60.91%0.0131%0.305CS..Hα-helixtrans-55.5-45.5-179.1-64158000110.8V269 L282 I284 I300 S306 E307 F308 M319V269-I304 HydrophobicContact CG1-CG1 3.99Å; V269-I304 HydrophobicContact CG2-CD1 4.01Å; V269-I304 HydrophobicContact CG2-CG1 3.72Å; L282-I304 HydrophobicContact CD1-CD1 3.71Å; L282-I304 HydrophobicContact CD1-CG1 4.11Å; L282-I304 HydrophobicContact CD1-CG2 3.88Å; I284-I304 HydrophobicContact CD1-CD1 3.7Å; I284-I304 HydrophobicContact CG1-CD1 4.49Å; I300-I304 HydrophobicContact CG2-CD1 3.74Å; I300-I304 WeakPolarHBondContact O-CD1 3.44Å; I300-I304 VanDerWaalsContact O-CG1 3.32Å; I300-I304 WeakPolarHBondContact O-CG1 3.27Å; I300-I304 PolarHBondContact O-N 2.95Å; I304-S306 VanDerWaalsContact C-N 3.27Å; I304-S306 PolarHBondContact O-N 3.27Å; I304-E307 PolarHBondContact O-N 3.27Å; I304-F308 HydrophobicContact CB-CD2 4.43Å; I304-F308 HydrophobicContact CG2-CD2 3.96Å; I304-F308 WeakPolarHBondContact O-CD2 3.41Å; I304-F308 PolarHBondContact O-N 3.39Å; I304-M319 HydrophobicContact CB-SD 4.19Å; I304-M319 HydrophobicContact CD1-SD 4.29Å; I304-M319 HydrophobicContact CG2-CE 4.29Å; I304-M319 HydrophobicContact CG2-SD 3.64Å
305T81.6Confident75.8Confident33 Ų3362.6 Ų62.620%0.20232%0.315CS..Hα-helixtrans-71.6-21.7-179.1-48.20000112.9M301 R303 D309 Y346M301-T305 WeakPolarHBondContact O-CB 3.42Å; M301-T305 PolarHBondContact O-N 3.18Å; M301-T305 PolarHBondContact O-OG1 2.71Å; R303-T305 VanDerWaalsContact C-N 3.28Å; R303-T305 PolarHBondContact O-N 2.72Å; T305-D309 HydrophobicContact CG2-CB 3.95Å; T305-D309 WeakPolarHBondContact O-CB 3.25Å; T305-Y346 HydrophobicContact CG2-CD1 4.01Å; T305-Y346 VanDerWaalsContact OG1-CD1 3.22Å; T305-Y346 WeakPolarHBondContact OG1-CD1 3.2Å
306S79.1Confident74.7Confident58 Ų5863.7 Ų63.741%0.40631%0.314SS..Hα-helixtrans-88.1-17.8176.1-57.70000113.5Y302 R303 I304Y302-S306 VanDerWaalsContact O-CB 3.28Å; Y302-S306 WeakPolarHBondContact O-CB 3.28Å; Y302-S306 PolarHBondContact O-N 2.89Å; Y302-S306 PolarHBondContact O-OG 3.3Å; R303-S306 PolarHBondContact O-N 3.46Å; I304-S306 VanDerWaalsContact C-N 3.27Å; I304-S306 PolarHBondContact O-N 3.27Å
307E73.4Confident74.1Confident83 Ų8362.6 Ų62.639%0.38831%0.307SS..Hα-helixtrans-106.2-35-174.3-171.3171.6-169.500112.6R303 I304R303-E307 WeakPolarHBondContact O-CB 3.38Å; R303-E307 PolarHBondContact O-N 2.82Å; I304-E307 PolarHBondContact O-N 3.27Å
308F66.6Low73.8Confident25 Ų2563.3 Ų63.311%0.1131%0.311CS..THydrogen-bonded Turntrans-112.1-31.7-174.4-58.1-73.9000115.1V269 L273 I304 D310 V317V269-F308 HydrophobicContact CG1-CE2 4.16Å; L273-F308 HydrophobicContact CB-CD1 4.15Å; L273-F308 HydrophobicContact CB-CE1 3.32Å; L273-F308 HydrophobicContact CB-CE2 4.49Å; L273-F308 HydrophobicContact CB-CZ 3.55Å; L273-F308 HydrophobicContact CD1-CD2 4.38Å; L273-F308 HydrophobicContact CD1-CE1 4.1Å; L273-F308 HydrophobicContact CD1-CE2 3.79Å; L273-F308 HydrophobicContact CD1-CZ 3.65Å; L273-F308 HydrophobicContact CG-CE1 4.34Å; L273-F308 HydrophobicContact CG-CZ 4.23Å; I304-F308 HydrophobicContact CB-CD2 4.43Å; I304-F308 HydrophobicContact CG2-CD2 3.96Å; I304-F308 WeakPolarHBondContact O-CD2 3.41Å; I304-F308 PolarHBondContact O-N 3.39Å; F308-D310 PolarHBondContact O-N 2.84Å; F308-V317 HydrophobicContact CB-CG2 4.32Å
309D61.1Low73.6Confident50 Ų5063.2 Ų63.227%0.26731%0.309SS..  trans-77.932.2179.7-142.139.8000112.3T305 R382T305-D309 HydrophobicContact CG2-CB 3.95Å; T305-D309 WeakPolarHBondContact O-CB 3.25Å; D309-R382 IonicContact OD1-NH2 3.66Å; D309-R382 IonicContact OD2-CZ 3.76Å; D309-R382 IonicContact OD2-NE 3.92Å; D309-R382 IonicContact OD2-NH2 3.21Å; D309-R382 PolarHBondContact OD2-NH2 3.03Å
310D57.6Low73.7Confident61 Ų6160.8 Ų60.833%0.32630%0.296SS..  trans-59.8115.1175-120.4-9.6000109.3F308 E312 K313F308-D310 PolarHBondContact O-N 2.84Å; D310-E312 PolarHBondContact O-N 2.87Å; D310-K313 HydrophobicContact CB-CB 4.29Å; D310-K313 HydrophobicContact CB-CD 3.9Å; D310-K313 HydrophobicContact CB-CG 4.21Å; D310-K313 PolarHBondContact O-N 2.69Å; D310-K313 VanDerWaalsContact O-N 3.14Å; D310-K313 VanDerWaalsContact OD2-CE 3.22Å; D310-K313 WeakPolarHBondContact OD2-CE 3.18Å; D310-K313 IonicContact OD2-NZ 3.74Å; D310-K313 PolarHBondContact OD2-NZ 2.96Å
311P53.7Low74Confident87 Ų8759.9 Ų59.957%0.56529%0.291SS*.THydrogen-bonded Turntrans-68-13.3-16727.8-35.9000113.9
312E50.6Low74.4Confident178 Ų17859.9 Ų59.983%0.83229%0.291SS*.THydrogen-bonded Turntrans-88.7-30-180-56.3-172.616400112.4D310D310-E312 PolarHBondContact O-N 2.87Å
313K53Low74.8Confident125 Ų12555 Ų5554%0.54327%0.272SS..THydrogen-bonded Turntrans-87.3-18.9-172.5-66.1172.9-175.31560114.1D310 N315D310-K313 HydrophobicContact CB-CB 4.29Å; D310-K313 HydrophobicContact CB-CD 3.9Å; D310-K313 HydrophobicContact CB-CG 4.21Å; D310-K313 PolarHBondContact O-N 2.69Å; D310-K313 VanDerWaalsContact O-N 3.14Å; D310-K313 VanDerWaalsContact OD2-CE 3.22Å; D310-K313 WeakPolarHBondContact OD2-CE 3.18Å; D310-K313 IonicContact OD2-NZ 3.74Å; D310-K313 PolarHBondContact OD2-NZ 2.96Å; K313-N315 HydrophobicContact CB-CB 4.49Å; K313-N315 PolarHBondContact O-N 3.04Å; K313-N315 VanDerWaalsContact O-N 3.15Å; K313-N315 PolarHBondContact O-OD1 3.45Å
314Q54.8Low75.3Confident154 Ų15449.7 Ų49.772%0.7225%0.252SS*.  trans59.910.7-174.4-59.4-173.54800115.9Y316Q314-Y316 VanDerWaalsContact C-N 3.28Å; Q314-Y316 PolarHBondContact O-N 2.87Å
315N61.3Low75.9Confident61 Ų6151.9 Ų51.933%0.32626%0.262SS..  trans-76.567.2-177.3-68.8-8.7000113A275 K313 V317A275-N315 WeakPolarHBondContact CB-ND2 3.25Å; K313-N315 HydrophobicContact CB-CB 4.49Å; K313-N315 PolarHBondContact O-N 3.04Å; K313-N315 VanDerWaalsContact O-N 3.15Å; K313-N315 PolarHBondContact O-OD1 3.45Å; N315-V317 PolarHBondContact O-N 3.45Å; N315-V317 VanDerWaalsContact O-N 3.17Å
316Y71.9Confident76.6Confident67 Ų6751.8 Ų51.826%0.26326%0.261SS..  trans-71.6106.9172.6175.7-104.7000110.9Q314 P318Q314-Y316 VanDerWaalsContact C-N 3.28Å; Q314-Y316 PolarHBondContact O-N 2.87Å; Y316-P318 HydrophobicContact CE1-CB 4.34Å
317V79.7Confident77.4Confident24 Ų2451.6 Ų51.615%0.14526%0.256CS..  trans-86.1120.3171.4-176.10000109.3L282 F308 N315 M319L282-V317 HydrophobicContact CD1-CG1 3.91Å; L282-V317 HydrophobicContact CG-CG1 3.8Å; F308-V317 HydrophobicContact CB-CG2 4.32Å; N315-V317 PolarHBondContact O-N 3.45Å; N315-V317 VanDerWaalsContact O-N 3.17Å; V317-M319 PolarHBondContact O-N 2.83Å
318P86.5Confident78.3Confident14 Ų1450.8 Ų50.89%0.09125%0.254CS..  trans-65.5127.5176.524.4-32.3000111.6T280 A281 L282 Y316 E371 L372T280-P318 WeakPolarHBondContact O-CD 3.29Å; T280-P318 WeakPolarHBondContact O-CG 3.42Å; A281-P318 WeakPolarHBondContact CA-O 3.29Å; A281-P318 HydrophobicContact CB-CG 3.97Å; L282-P318 PolarHBondContact N-O 2.88Å; Y316-P318 HydrophobicContact CE1-CB 4.34Å; P318-E371 HydrophobicContact CB-CB 3.77Å; P318-L372 HydrophobicContact CG-CD2 4.06Å
319M89.4Confident79.6Confident12 Ų1254.5 Ų54.56%0.05927%0.271CS..EExtended strand (participates in β ladder)trans-116.3144.3179.8-70.5-176.1-80.800111.5L282 I284 I304 V317 C348 A349L282-M319 HydrophobicContact CB-CG 4.33Å; L282-M319 HydrophobicContact CD1-CG 4.49Å; L282-M319 WeakPolarHBondContact O-CA 3.38Å; I284-M319 HydrophobicContact CD1-SD 4.26Å; I304-M319 HydrophobicContact CB-SD 4.19Å; I304-M319 HydrophobicContact CD1-SD 4.29Å; I304-M319 HydrophobicContact CG2-CE 4.29Å; I304-M319 HydrophobicContact CG2-SD 3.64Å; V317-M319 PolarHBondContact O-N 2.83Å; M319-C348 HydrophobicContact CB-CB 3.72Å; M319-C348 WeakPolarHBondContact O-CB 3.32Å; M319-A349 PolarHBondContact O-N 3.27Å
320L93.8Very high81.1Confident2 Ų263.6 Ų63.61%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-129.9117.5171.9171.459.6000109.6L282 I283 I284 I322 A349 L351 V364 V367 L368L282-L320 PolarHBondContact O-N 3.1Å; I283-L320 WeakPolarHBondContact CA-O 3.36Å; I284-L320 PolarHBondContact N-O 2.93Å; L320-I322 HydrophobicContact CD1-CG1 4.43Å; L320-I322 HydrophobicContact CD2-CD1 4.05Å; L320-I322 HydrophobicContact CD2-CG1 4.25Å; L320-I322 HydrophobicContact CG-CD1 4.23Å; L320-I322 HydrophobicContact CG-CG1 3.9Å; L320-A349 HydrophobicContact CD1-CB 3.7Å; L320-L351 HydrophobicContact CD1-CB 4.44Å; L320-L351 HydrophobicContact CD1-CD1 4.14Å; L320-L351 HydrophobicContact CD1-CG 4.04Å; L320-L351 HydrophobicContact CD2-CD1 4.26Å; L320-V364 HydrophobicContact CD2-CG1 3.93Å; L320-V367 HydrophobicContact CD1-CG1 4.14Å; L320-V367 HydrophobicContact CD2-CG1 4.47Å; L320-L368 HydrophobicContact CB-CD2 3.99Å; L320-L368 HydrophobicContact CD2-CD1 4.48Å; L320-L368 HydrophobicContact CD2-CD2 3.9Å; L320-L368 HydrophobicContact CD2-CG 3.84Å
321L95.7Very high82.9Confident1 Ų167 Ų671%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-86.9131.9171.8-178.264.6000109.7I284 Y286 A297 M301 L342 A343 A349 F350 L351I284-L321 HydrophobicContact CB-CD1 4.33Å; I284-L321 HydrophobicContact CG2-CD1 4.14Å; I284-L321 WeakPolarHBondContact O-CA 3.38Å; Y286-L321 HydrophobicContact CD1-CD1 3.78Å; Y286-L321 HydrophobicContact CD1-CG 4.3Å; Y286-L321 HydrophobicContact CE1-CD1 3.98Å; Y286-L321 HydrophobicContact CE1-CD2 4.28Å; Y286-L321 HydrophobicContact CE1-CG 3.99Å; A297-L321 HydrophobicContact CB-CD1 4.43Å; M301-L321 HydrophobicContact SD-CD1 3.96Å; M301-L321 HydrophobicContact SD-CD2 4.11Å; M301-L321 HydrophobicContact SD-CG 4.45Å; L321-L342 HydrophobicContact CD2-CB 4.27Å; L321-L342 HydrophobicContact CD2-CD2 3.9Å; L321-L342 HydrophobicContact CD2-CG 4.28Å; L321-A343 HydrophobicContact CD2-CB 4.18Å; L321-A349 PolarHBondContact N-O 3.36Å; L321-F350 HydrophobicContact CB-CD2 4.25Å; L321-F350 HydrophobicContact CD2-CD2 3.92Å; L321-F350 HydrophobicContact CD2-CE2 4.26Å; L321-F350 HydrophobicContact CG-CD2 4.02Å; L321-F350 HydrophobicContact CG-CE2 4.38Å; L321-F350 WeakPolarHBondContact O-CA 3.47Å; L321-L351 PolarHBondContact O-N 3.15Å
322I96.7Very high84.9Confident0 Ų065.5 Ų65.50%030%0.299CS..EExtended strand (participates in β ladder)trans-127.1120-179.2-59.2-174.6000110.1L224 I283 I284 M285 Y286 L320 L351 I353 V364L224-I322 HydrophobicContact CD2-CD1 4.29Å; I283-I322 HydrophobicContact CG2-CD1 3.45Å; I283-I322 VanDerWaalsContact CG2-CD1 3.45Å; I283-I322 HydrophobicContact CG2-CG1 3.98Å; I284-I322 PolarHBondContact O-N 2.91Å; M285-I322 WeakPolarHBondContact CA-O 3.47Å; M285-I322 HydrophobicContact CG-CB 4.33Å; Y286-I322 VanDerWaalsContact CD1-O 3.25Å; Y286-I322 WeakPolarHBondContact CD1-O 3.39Å; Y286-I322 PolarHBondContact N-O 2.96Å; L320-I322 HydrophobicContact CD1-CG1 4.43Å; L320-I322 HydrophobicContact CD2-CD1 4.05Å; L320-I322 HydrophobicContact CD2-CG1 4.25Å; L320-I322 HydrophobicContact CG-CD1 4.23Å; L320-I322 HydrophobicContact CG-CG1 3.9Å; I322-L351 WeakPolarHBondContact CA-O 3.47Å; I322-I353 HydrophobicContact CD1-CD1 4.07Å; I322-I353 HydrophobicContact CG2-CB 4.02Å; I322-I353 HydrophobicContact CG2-CD1 3.73Å; I322-I353 HydrophobicContact CG2-CG1 3.95Å; I322-V364 HydrophobicContact CD1-CG1 4.09Å; I322-V364 HydrophobicContact CD1-CG2 3.88Å
323G96.4Very high87Confident0 Ų059.6 Ų59.60%028%0.28CS..EExtended strand (participates in β ladder)trans-85.6113.316100000109.8L351 E352 I353G323-L351 PolarHBondContact N-O 2.97Å; G323-E352 WeakPolarHBondContact O-CA 3.44Å; G323-I353 PolarHBondContact O-N 2.88Å
324N96.4Very high89Confident6 Ų653.7 Ų53.73%0.03226%0.255CS..EExtended strand (participates in β ladder)trans-97.5166.2176.8-169.224.4000111.4V219 M285 Y286 V288 I353 V355V219-N324 PolarHBondContact O-ND2 3.2Å; M285-N324 HydrophobicContact CE-CB 3.92Å; Y286-N324 PolarHBondContact O-N 3.11Å; V288-N324 WeakPolarHBondContact CG2-O 3.22Å; V288-N324 PolarHBondContact N-O 2.88Å; N324-I353 CarbonylContact C-O 3.52Å; N324-I353 WeakPolarHBondContact CA-O 3.49Å; N324-I353 PolarHBondContact OD1-O 3.32Å; N324-V355 PolarHBondContact OD1-N 2.77Å
325K95.4Very high90.9Very high49 Ų4952.7 Ų52.721%0.21325%0.25CC..  trans69.633.1-178.6-46.9-169-163.8163.30115.1S218 D287 V288 D327 L328 I353S218-K325 WeakPolarHBondContact O-CE 3.27Å; S218-K325 PolarHBondContact O-NZ 2.88Å; D287-K325 WeakPolarHBondContact OD1-CD 3.4Å; D287-K325 WeakPolarHBondContact OD2-CD 3.15Å; D287-K325 VanDerWaalsContact OD2-CE 3.22Å; D287-K325 WeakPolarHBondContact OD2-CE 3.32Å; D287-K325 IonicContact OD2-NZ 2.71Å; D287-K325 PolarHBondContact OD2-NZ 3.09Å; V288-K325 WeakPolarHBondContact CG2-O 3.41Å; K325-D327 WeakPolarHBondContact CA-OD1 3.47Å; K325-D327 PolarHBondContact O-N 2.81Å; K325-D327 VanDerWaalsContact O-N 3.11Å; K325-L328 HydrophobicContact CB-CD1 4.07Å; K325-L328 HydrophobicContact CB-CG 4.26Å; K325-L328 HydrophobicContact CD-CD1 4.02Å; K325-L328 WeakPolarHBondContact O-CB 3.39Å; K325-L328 PolarHBondContact O-N 3.13Å; K325-I353 PolarHBondContact N-O 2.96Å
326V95.4Very high92.5Very high31 Ų3151.2 Ų51.219%0.18825%0.245CC..G310 helixtrans-61.9-15.3175.4176.40000113.1V288 L328 E352 I353V288-V326 HydrophobicContact CG1-CG2 4.14Å; V326-L328 PolarHBondContact O-N 3.31Å; V326-E352 HydrophobicContact CG2-CB 3.84Å; V326-E352 HydrophobicContact CG2-CG 3.82Å; V326-I353 WeakPolarHBondContact CG2-O 3.27Å; V326-I353 PolarHBondContact N-O 3.25Å; V326-I353 VanDerWaalsContact N-O 3.11Å
327D95.1Very high93.6Very high53 Ų5352.2 Ų52.228%0.28325%0.254SS..G310 helixtrans-63.4-26166.652.7-72.4000113.7K325 E329 S354 L357K325-D327 WeakPolarHBondContact CA-OD1 3.47Å; K325-D327 PolarHBondContact O-N 2.81Å; K325-D327 VanDerWaalsContact O-N 3.11Å; D327-E329 PolarHBondContact O-N 3.41Å; D327-S354 WeakPolarHBondContact OD1-CB 3.35Å; D327-S354 PolarHBondContact OD1-OG 3.13Å; D327-L357 HydrophobicContact CB-CD1 3.66Å; D327-L357 HydrophobicContact CB-CG 4.04Å
328L93.9Very high94.3Very high66 Ų6655.2 Ų55.235%0.34627%0.267SS..G310 helixtrans-88.536.7178.4-56.3-176.6000112.5T289 K325 V326 R330 H331 R332T289-L328 HydrophobicContact CG2-CB 3.56Å; T289-L328 HydrophobicContact CG2-CD1 3.92Å; T289-L328 HydrophobicContact CG2-CG 4.39Å; K325-L328 HydrophobicContact CB-CD1 4.07Å; K325-L328 HydrophobicContact CB-CG 4.26Å; K325-L328 HydrophobicContact CD-CD1 4.02Å; K325-L328 WeakPolarHBondContact O-CB 3.39Å; K325-L328 PolarHBondContact O-N 3.13Å; V326-L328 PolarHBondContact O-N 3.31Å; L328-R330 PolarHBondContact O-N 3.27Å; L328-H331 CarbonylContact O-C 3.57Å; L328-H331 WeakPolarHBondContact O-CA 3.37Å; L328-H331 PolarHBondContact O-N 3.01Å; L328-R332 PolarHBondContact O-N 2.95Å
329E92.8Very high94.6Very high103 Ų10354.5 Ų54.548%0.48126%0.262SS..G310 helixtrans-50.9-31.1-176.5-168.462.1-155.700113.9D327 H331 R332D327-E329 PolarHBondContact O-N 3.41Å; E329-H331 PolarHBondContact O-N 3.23Å; E329-R332 WeakPolarHBondContact O-CB 3.39Å; E329-R332 PolarHBondContact O-N 2.8Å; E329-R332 IonicContact OE1-CZ 2.66Å; E329-R332 IonicContact OE1-NE 3.64Å; E329-R332 PolarHBondContact OE1-NE 3.48Å; E329-R332 IonicContact OE1-NH2 2.79Å; E329-R332 IonicContact OE2-CZ 3.61Å; E329-R332 VanDerWaalsContact OE2-CZ 3.24Å; E329-R332 IonicContact OE2-NE 3.32Å; E329-R332 PolarHBondContact OE2-NE 2.9Å; E329-R332 IonicContact OE2-NH2 2.72Å; E329-R332 PolarHBondContact OE2-NH2 2.83Å
330R94.1Very high94.9Very high241 Ų24157.3 Ų57.391%0.90927%0.274SS*.G310 helixtrans-69.6-15.5175.6-63.6-176.3-178.5179.51.1114.8L328L328-R330 PolarHBondContact O-N 3.27Å
331H93.9Very high95Very high133 Ų13361.9 Ų61.962%0.61630%0.296SS*.G310 helixtrans-118.311179.3-60.2-70.6000111.7T289 L328 E329 A333T289-H331 WeakPolarHBondContact CA-O 3.35Å; T289-H331 VanDerWaalsContact CB-O 3.25Å; T289-H331 WeakPolarHBondContact CB-O 3.42Å; T289-H331 HydrophobicContact CG2-CB 3.87Å; T289-H331 WeakPolarHBondContact CG2-O 3.19Å; L328-H331 CarbonylContact O-C 3.57Å; L328-H331 WeakPolarHBondContact O-CA 3.37Å; L328-H331 PolarHBondContact O-N 3.01Å; E329-H331 PolarHBondContact O-N 3.23Å; H331-A333 PolarHBondContact O-N 2.87Å
332R95.9Very high94.9Very high55 Ų5562.2 Ų62.221%0.20830%0.297CS..  trans-57.2123.2175.2179.3-172.5-74.8-98.26.2109.8L328 E329 I334 S336 E352L328-R332 PolarHBondContact O-N 2.95Å; E329-R332 WeakPolarHBondContact O-CB 3.39Å; E329-R332 PolarHBondContact O-N 2.8Å; E329-R332 IonicContact OE1-CZ 2.66Å; E329-R332 IonicContact OE1-NE 3.64Å; E329-R332 PolarHBondContact OE1-NE 3.48Å; E329-R332 IonicContact OE1-NH2 2.79Å; E329-R332 IonicContact OE2-CZ 3.61Å; E329-R332 VanDerWaalsContact OE2-CZ 3.24Å; E329-R332 IonicContact OE2-NE 3.32Å; E329-R332 PolarHBondContact OE2-NE 2.9Å; E329-R332 IonicContact OE2-NH2 2.72Å; E329-R332 PolarHBondContact OE2-NH2 2.83Å; R332-I334 WeakPolarHBondContact CD-O 3.24Å; R332-I334 WeakPolarHBondContact CG-O 3.49Å; R332-I334 PolarHBondContact NH1-O 3.14Å; R332-S336 PolarHBondContact NH1-OG 3.02Å; R332-S336 VanDerWaalsContact NH1-OG 3.09Å; R332-E352 IonicContact CZ-OE2 3.6Å; R332-E352 IonicContact NH1-OE2 2.87Å; R332-E352 PolarHBondContact NH1-OE2 3.05Å; R332-E352 IonicContact NH2-OE2 2.7Å; R332-E352 PolarHBondContact NH2-OE2 3.03Å
333A94.7Very high94.7Very high54 Ų5462.3 Ų62.345%0.44630%0.298SS..  trans-112.4-2.9179.300000113.1V288 H331V288-A333 PolarHBondContact O-N 2.72Å; H331-A333 PolarHBondContact O-N 2.87Å
334I94.4Very high94.5Very high1 Ų168.7 Ų68.71%0.00533%0.326CS..SBendtrans-133.8127.3-178.9-62140.3000108.1Y286 D287 V288 S290 F294 R332 E338Y286-I334 HydrophobicContact CD2-CD1 3.83Å; Y286-I334 HydrophobicContact CE2-CB 4.45Å; Y286-I334 HydrophobicContact CE2-CD1 3.84Å; Y286-I334 HydrophobicContact CE2-CG2 4.08Å; D287-I334 VanDerWaalsContact O-CD1 3.31Å; D287-I334 WeakPolarHBondContact O-CD1 3.34Å; V288-I334 PolarHBondContact O-N 3.14Å; S290-I334 WeakPolarHBondContact O-CD1 3.42Å; F294-I334 HydrophobicContact CB-CD1 3.54Å; F294-I334 HydrophobicContact CB-CG1 4.11Å; F294-I334 HydrophobicContact CD1-CG1 4.43Å; F294-I334 HydrophobicContact CD1-CG2 4.4Å; F294-I334 HydrophobicContact CD2-CG2 4.17Å; F294-I334 HydrophobicContact CE1-CG2 4.42Å; F294-I334 HydrophobicContact CE2-CG2 4.19Å; F294-I334 HydrophobicContact CG-CD1 4.08Å; F294-I334 HydrophobicContact CG-CG1 4.23Å; F294-I334 HydrophobicContact CG-CG2 4.27Å; F294-I334 HydrophobicContact CZ-CG2 4.31Å; R332-I334 WeakPolarHBondContact CD-O 3.24Å; R332-I334 WeakPolarHBondContact CG-O 3.49Å; R332-I334 PolarHBondContact NH1-O 3.14Å; I334-E338 HydrophobicContact CG2-CB 4.31Å
335E94.9Very high94.2Very high133 Ų13370.9 Ų70.962%0.62134%0.342SS*.  trans-76147.1179.1-67.1-167.2169.400111.6D337 E338 G339E335-D337 PolarHBondContact O-N 2.9Å; E335-D337 VanDerWaalsContact O-N 3.11Å; E335-E338 HydrophobicContact CB-CG 4.26Å; E335-E338 PolarHBondContact N-OE2 2.65Å; E335-E338 PolarHBondContact O-N 3.13Å; E335-E338 VanDerWaalsContact O-N 3.12Å; E335-G339 PolarHBondContact O-N 3Å
336S94.7Very high93.8Very high31 Ų3169.8 Ų69.822%0.21734%0.336CS..Hα-helixtrans-53.6-33.1175.8-66.30000112.9R332 K340 E352R332-S336 PolarHBondContact NH1-OG 3.02Å; R332-S336 VanDerWaalsContact NH1-OG 3.09Å; S336-K340 WeakPolarHBondContact O-CD 3.48Å; S336-K340 WeakPolarHBondContact O-CE 3.49Å; S336-K340 WeakPolarHBondContact O-CG 3.14Å; S336-K340 PolarHBondContact O-N 3Å; S336-K340 VanDerWaalsContact O-N 3.09Å; S336-E352 WeakPolarHBondContact CA-OE1 3.46Å; S336-E352 WeakPolarHBondContact CB-OE1 3.26Å; S336-E352 PolarHBondContact OG-OE1 2.82Å; S336-E352 PolarHBondContact OG-OE2 3.28Å
337D95.6Very high93.4Very high87 Ų8769.9 Ų69.947%0.46534%0.343SS..Hα-helixtrans-77.9-29.9-178.2-73.2-28.8000113E335 K340 E341E335-D337 PolarHBondContact O-N 2.9Å; E335-D337 VanDerWaalsContact O-N 3.11Å; D337-K340 PolarHBondContact O-N 2.83Å; D337-K340 VanDerWaalsContact OD1-CD 3.31Å; D337-K340 WeakPolarHBondContact OD1-CD 3.49Å; D337-K340 WeakPolarHBondContact OD1-CE 3.44Å; D337-K340 IonicContact OD1-NZ 2.67Å; D337-K340 PolarHBondContact OD1-NZ 2.91Å; D337-E341 WeakPolarHBondContact O-CB 3.4Å; D337-E341 WeakPolarHBondContact O-CG 3.33Å; D337-E341 PolarHBondContact O-N 2.73Å
338E94.4Very high93.1Very high87 Ų8768.3 Ų68.341%0.40734%0.336SS..Hα-helixtrans-61.5-45.8169.1-64-178.7121.800111.1F294 I334 E335 K340 E341 L342F294-E338 HydrophobicContact CZ-CB 4.3Å; I334-E338 HydrophobicContact CG2-CB 4.31Å; E335-E338 HydrophobicContact CB-CG 4.26Å; E335-E338 PolarHBondContact N-OE2 2.65Å; E335-E338 PolarHBondContact O-N 3.13Å; E335-E338 VanDerWaalsContact O-N 3.12Å; E338-K340 PolarHBondContact O-N 3.11Å; E338-E341 PolarHBondContact O-N 2.82Å; E338-L342 PolarHBondContact O-N 2.96Å
339G93.9Very high93.1Very high0 Ų066.2 Ų66.20%033%0.328CS..Hα-helixtrans-61.3-43.2175.600000112.8E335 A343E335-G339 PolarHBondContact O-N 3Å; G339-A343 WeakPolarHBondContact O-CB 3.48Å; G339-A343 PolarHBondContact O-N 2.83Å
340K95.4Very high93.2Very high70 Ų7063.3 Ų63.330%0.30431%0.314SS..Hα-helixtrans-64.7-36.9173.6-68.9166.3-139.9154.40112.1S336 D337 E338 K344 F350S336-K340 WeakPolarHBondContact O-CD 3.48Å; S336-K340 WeakPolarHBondContact O-CE 3.49Å; S336-K340 WeakPolarHBondContact O-CG 3.14Å; S336-K340 PolarHBondContact O-N 3Å; S336-K340 VanDerWaalsContact O-N 3.09Å; D337-K340 PolarHBondContact O-N 2.83Å; D337-K340 VanDerWaalsContact OD1-CD 3.31Å; D337-K340 WeakPolarHBondContact OD1-CD 3.49Å; D337-K340 WeakPolarHBondContact OD1-CE 3.44Å; D337-K340 IonicContact OD1-NZ 2.67Å; D337-K340 PolarHBondContact OD1-NZ 2.91Å; E338-K340 PolarHBondContact O-N 3.11Å; K340-K344 WeakPolarHBondContact O-CB 3.32Å; K340-K344 VanDerWaalsContact O-CD 3.32Å; K340-K344 WeakPolarHBondContact O-CD 3.44Å; K340-K344 WeakPolarHBondContact O-CG 3.43Å; K340-K344 PolarHBondContact O-N 2.99Å; K340-F350 HydrophobicContact CB-CD1 4.46Å; K340-F350 HydrophobicContact CG-CD1 3.47Å; K340-F350 VanDerWaalsContact CG-CD1 3.47Å; K340-F350 HydrophobicContact CG-CE1 3.68Å; K340-F350 HydrophobicContact CG-CG 4.24Å
341E95.2Very high93.3Very high99 Ų9952.7 Ų52.746%0.46328%0.275SS..Hα-helixtrans-71.4-41.5178.2-77.2-168.8177.900112.9D337 E338 A343 K344 S345D337-E341 WeakPolarHBondContact O-CB 3.4Å; D337-E341 WeakPolarHBondContact O-CG 3.33Å; D337-E341 PolarHBondContact O-N 2.73Å; E338-E341 PolarHBondContact O-N 2.82Å; E341-A343 VanDerWaalsContact C-N 3.33Å; E341-A343 PolarHBondContact O-N 3.12Å; E341-K344 HydrophobicContact CG-CD 4.5Å; E341-K344 PolarHBondContact O-N 2.83Å; E341-S345 WeakPolarHBondContact O-CB 3.31Å; E341-S345 PolarHBondContact O-N 2.64Å
342L93.1Very high93.4Very high7 Ų747.5 Ų47.54%0.03725%0.251CS..Hα-helixtrans-55.2-51.4170.5-170.868.6000110F294 A298 M301 L321 E338 K344 S345 Y346 F410F294-L342 HydrophobicContact CD2-CD2 4.22Å; F294-L342 HydrophobicContact CE2-CB 4.33Å; F294-L342 HydrophobicContact CE2-CD2 3.54Å; F294-L342 HydrophobicContact CZ-CB 4.08Å; F294-L342 HydrophobicContact CZ-CD2 3.75Å; F294-L342 HydrophobicContact CZ-CG 4.45Å; A298-L342 HydrophobicContact CB-CD1 3.89Å; A298-L342 HydrophobicContact CB-CD2 3.94Å; M301-L342 HydrophobicContact SD-CD2 3.91Å; M301-L342 HydrophobicContact SD-CG 4.04Å; L321-L342 HydrophobicContact CD2-CB 4.27Å; L321-L342 HydrophobicContact CD2-CD2 3.9Å; L321-L342 HydrophobicContact CD2-CG 4.28Å; E338-L342 PolarHBondContact O-N 2.96Å; L342-K344 PolarHBondContact O-N 3.13Å; L342-S345 PolarHBondContact O-N 2.89Å; L342-S345 VanDerWaalsContact O-N 3.14Å; L342-S345 PolarHBondContact O-OG 2.92Å; L342-Y346 HydrophobicContact CD1-CD2 4.29Å; L342-Y346 HydrophobicContact CD1-CE2 3.77Å; L342-Y346 HydrophobicContact CG-CD2 4.47Å; L342-Y346 HydrophobicContact CG-CE2 4.38Å; L342-Y346 WeakPolarHBondContact O-CD2 3.47Å; L342-Y346 PolarHBondContact O-N 2.81Å; L342-F410 HydrophobicContact CD1-CE1 3.81Å; L342-F410 HydrophobicContact CD1-CZ 3.81Å
343A93.3Very high93.4Very high2 Ų244.9 Ų44.92%0.01724%0.241CC..Hα-helixtrans-61.2-44.9178.500000113.8L321 G339 E341 S345 Y346 G347 C348 F350L321-A343 HydrophobicContact CD2-CB 4.18Å; G339-A343 WeakPolarHBondContact O-CB 3.48Å; G339-A343 PolarHBondContact O-N 2.83Å; E341-A343 VanDerWaalsContact C-N 3.33Å; E341-A343 PolarHBondContact O-N 3.12Å; A343-S345 PolarHBondContact O-N 2.95Å; A343-Y346 PolarHBondContact O-N 2.82Å; A343-G347 WeakPolarHBondContact O-CA 3.48Å; A343-G347 PolarHBondContact O-N 3.26Å; A343-C348 VanDerWaalsContact CA-SG 3.5Å; A343-C348 PolarHBondContact O-N 2.8Å; A343-C348 VanDerWaalsContact O-N 3.09Å; A343-F350 HydrophobicContact CB-CB 3.72Å; A343-F350 HydrophobicContact CB-CD2 4.38Å; A343-F350 HydrophobicContact CB-CG 4.4Å
344K92.8Very high93.4Very high134 Ų13442.4 Ų42.458%0.58322%0.221SC*.Hα-helixtrans-58.4-36174.3-72161.1-157.5156.20111.9K340 E341 L342 G347K340-K344 WeakPolarHBondContact O-CB 3.32Å; K340-K344 VanDerWaalsContact O-CD 3.32Å; K340-K344 WeakPolarHBondContact O-CD 3.44Å; K340-K344 WeakPolarHBondContact O-CG 3.43Å; K340-K344 PolarHBondContact O-N 2.99Å; E341-K344 HydrophobicContact CG-CD 4.5Å; E341-K344 PolarHBondContact O-N 2.83Å; L342-K344 PolarHBondContact O-N 3.13Å; K344-G347 PolarHBondContact O-N 2.6Å
345S90.3Very high93.3Very high52 Ų5243 Ų4336%0.36423%0.225SC..Hα-helixtrans-69.6-36-175.279.70000113.5E341 L342 A343E341-S345 WeakPolarHBondContact O-CB 3.31Å; E341-S345 PolarHBondContact O-N 2.64Å; L342-S345 PolarHBondContact O-N 2.89Å; L342-S345 VanDerWaalsContact O-N 3.14Å; L342-S345 PolarHBondContact O-OG 2.92Å; A343-S345 PolarHBondContact O-N 2.95Å
346Y87Confident93.2Very high27 Ų2743.6 Ų43.611%0.10623%0.231CC..Hα-helixtrans-90.2-17.7173.7-67.5-74.8000112.8M301 T305 L342 A343 R382M301-Y346 HydrophobicContact CB-CD2 4.01Å; M301-Y346 HydrophobicContact CB-CE1 4.48Å; M301-Y346 HydrophobicContact CB-CE2 3.93Å; M301-Y346 HydrophobicContact CB-CG 4.33Å; M301-Y346 HydrophobicContact CE-CD2 3.48Å; M301-Y346 VanDerWaalsContact CE-CD2 3.48Å; M301-Y346 HydrophobicContact CE-CE2 4.37Å; M301-Y346 HydrophobicContact CE-CG 3.86Å; M301-Y346 HydrophobicContact SD-CD2 4.16Å; T305-Y346 HydrophobicContact CG2-CD1 4.01Å; T305-Y346 VanDerWaalsContact OG1-CD1 3.22Å; T305-Y346 WeakPolarHBondContact OG1-CD1 3.2Å; L342-Y346 HydrophobicContact CD1-CD2 4.29Å; L342-Y346 HydrophobicContact CD1-CE2 3.77Å; L342-Y346 HydrophobicContact CG-CD2 4.47Å; L342-Y346 HydrophobicContact CG-CE2 4.38Å; L342-Y346 WeakPolarHBondContact O-CD2 3.47Å; L342-Y346 PolarHBondContact O-N 2.81Å; A343-Y346 PolarHBondContact O-N 2.82Å; Y346-R382 PolarHBondContact O-NH2 2.87Å
347G85.9Confident93Very high32 Ų3248 Ų4833%0.3325%0.252SS..THydrogen-bonded Turntrans75.242.1-179.600000112.6A343 K344 R382A343-G347 WeakPolarHBondContact O-CA 3.48Å; A343-G347 PolarHBondContact O-N 3.26Å; K344-G347 PolarHBondContact O-N 2.6Å; G347-R382 PolarHBondContact O-NH1 2.87Å
348C89.7Confident92.8Very high20 Ų2045 Ų4514%0.13524%0.242CC..  trans-106.6173.4173.3710000111.4M301 M319 A343M301-C348 WeakPolarHBondContact CE-SG 3.46Å; M319-C348 HydrophobicContact CB-CB 3.72Å; M319-C348 WeakPolarHBondContact O-CB 3.32Å; A343-C348 VanDerWaalsContact CA-SG 3.5Å; A343-C348 PolarHBondContact O-N 2.8Å; A343-C348 VanDerWaalsContact O-N 3.09Å
349A92.5Very high92.7Very high22 Ų2245.4 Ų45.418%0.18224%0.244CC..EExtended strand (participates in β ladder)trans-79.6156.6171.100000111.7M319 L320 L321 V367M319-A349 PolarHBondContact O-N 3.27Å; L320-A349 HydrophobicContact CD1-CB 3.7Å; L321-A349 PolarHBondContact N-O 3.36Å; A349-V367 HydrophobicContact CB-CG1 3.76Å
350F95.1Very high92.6Very high42 Ų4248.9 Ų48.918%0.18426%0.26CS..EExtended strand (participates in β ladder)trans-130.1136.6176.4-179.3-106.1000110.8Y286 L321 K340 A343 E352Y286-F350 HydrophobicContact CE1-CE2 4.13Å; Y286-F350 WeakPolarHBondContact OH-CE2 3.26Å; L321-F350 HydrophobicContact CB-CD2 4.25Å; L321-F350 HydrophobicContact CD2-CD2 3.92Å; L321-F350 HydrophobicContact CD2-CE2 4.26Å; L321-F350 HydrophobicContact CG-CD2 4.02Å; L321-F350 HydrophobicContact CG-CE2 4.38Å; L321-F350 WeakPolarHBondContact O-CA 3.47Å; K340-F350 HydrophobicContact CB-CD1 4.46Å; K340-F350 HydrophobicContact CG-CD1 3.47Å; K340-F350 VanDerWaalsContact CG-CD1 3.47Å; K340-F350 HydrophobicContact CG-CE1 3.68Å; K340-F350 HydrophobicContact CG-CG 4.24Å; A343-F350 HydrophobicContact CB-CB 3.72Å; A343-F350 HydrophobicContact CB-CD2 4.38Å; A343-F350 HydrophobicContact CB-CG 4.4Å; F350-E352 HydrophobicContact CE1-CG 3.99Å; F350-E352 WeakPolarHBondContact CE1-OE1 3.42Å; F350-E352 HydrophobicContact CZ-CG 3.85Å
351L95.8Very high92.4Very high18 Ų1845.5 Ų45.59%0.09425%0.245CC..EExtended strand (participates in β ladder)trans-137.5152.8170.5-70.7177.1000111.2L320 L321 I322 G323 I353 T363 V364 V367L320-L351 HydrophobicContact CD1-CB 4.44Å; L320-L351 HydrophobicContact CD1-CD1 4.14Å; L320-L351 HydrophobicContact CD1-CG 4.04Å; L320-L351 HydrophobicContact CD2-CD1 4.26Å; L321-L351 PolarHBondContact O-N 3.15Å; I322-L351 WeakPolarHBondContact CA-O 3.47Å; G323-L351 PolarHBondContact N-O 2.97Å; L351-I353 HydrophobicContact CB-CD1 4.26Å; L351-I353 HydrophobicContact CB-CG1 4.28Å; L351-T363 HydrophobicContact CD1-CG2 4.11Å; L351-T363 HydrophobicContact CD2-CG2 3.86Å; L351-V364 HydrophobicContact CD1-CG2 4.25Å; L351-V367 HydrophobicContact CD1-CB 4.38Å; L351-V367 HydrophobicContact CD1-CG2 4.16Å; L351-V367 HydrophobicContact CD2-CG2 4.49Å
352E95.9Very high92Very high24 Ų2443.4 Ų43.411%0.11224%0.236CC..EExtended strand (participates in β ladder)trans-119.6128.2174.4-104.1176.5-97.400109.3G323 V326 R332 S336 F350 Q360G323-E352 WeakPolarHBondContact O-CA 3.44Å; V326-E352 HydrophobicContact CG2-CB 3.84Å; V326-E352 HydrophobicContact CG2-CG 3.82Å; R332-E352 IonicContact CZ-OE2 3.6Å; R332-E352 IonicContact NH1-OE2 2.87Å; R332-E352 PolarHBondContact NH1-OE2 3.05Å; R332-E352 IonicContact NH2-OE2 2.7Å; R332-E352 PolarHBondContact NH2-OE2 3.03Å; S336-E352 WeakPolarHBondContact CA-OE1 3.46Å; S336-E352 WeakPolarHBondContact CB-OE1 3.26Å; S336-E352 PolarHBondContact OG-OE1 2.82Å; S336-E352 PolarHBondContact OG-OE2 3.28Å; F350-E352 HydrophobicContact CE1-CG 3.99Å; F350-E352 WeakPolarHBondContact CE1-OE1 3.42Å; F350-E352 HydrophobicContact CZ-CG 3.85Å; E352-Q360 PolarHBondContact O-NE2 3.16Å; E352-Q360 VanDerWaalsContact O-NE2 3.16Å
353I96Very high92Very high0 Ų045.3 Ų45.30%025%0.248CC..  trans-139.8147.5-159.6-65-167.6000111I322 G323 N324 K325 V326 L351 V355 H359 Q360 V361 V364I322-I353 HydrophobicContact CD1-CD1 4.07Å; I322-I353 HydrophobicContact CG2-CB 4.02Å; I322-I353 HydrophobicContact CG2-CD1 3.73Å; I322-I353 HydrophobicContact CG2-CG1 3.95Å; G323-I353 PolarHBondContact O-N 2.88Å; N324-I353 CarbonylContact C-O 3.52Å; N324-I353 WeakPolarHBondContact CA-O 3.49Å; N324-I353 PolarHBondContact OD1-O 3.32Å; K325-I353 PolarHBondContact N-O 2.96Å; V326-I353 WeakPolarHBondContact CG2-O 3.27Å; V326-I353 PolarHBondContact N-O 3.25Å; V326-I353 VanDerWaalsContact N-O 3.11Å; L351-I353 HydrophobicContact CB-CD1 4.26Å; L351-I353 HydrophobicContact CB-CG1 4.28Å; I353-V355 HydrophobicContact CG2-CG2 4.09Å; I353-H359 WeakPolarHBondContact CG2-O 3.5Å; I353-Q360 HydrophobicContact CG1-CB 4.17Å; I353-V361 HydrophobicContact CG2-CG2 4Å; I353-V364 HydrophobicContact CD1-CG2 3.11Å
354S95.3Very high91.9Very high2 Ų245.2 Ų45.21%0.01425%0.247CC..BIsolated β-bridgetrans-122.4108.3157.5174.10000108.1D327 L356 L357 G358 H359D327-S354 WeakPolarHBondContact OD1-CB 3.35Å; D327-S354 PolarHBondContact OD1-OG 3.13Å; S354-L356 VanDerWaalsContact C-N 3.26Å; S354-L356 PolarHBondContact O-N 3.39Å; S354-L357 PolarHBondContact O-N 3.47Å; S354-L357 PolarHBondContact OG-N 3.09Å; S354-L357 VanDerWaalsContact OG-N 3.15Å; S354-G358 CarbonylContact O-C 3.58Å; S354-G358 PolarHBondContact O-N 3Å; S354-G358 VanDerWaalsContact O-N 3.13Å; S354-H359 PolarHBondContact N-O 2.9Å; S354-H359 PolarHBondContact O-N 3.3Å
355V93.4Very high91.7Very high15 Ų1538.9 Ų38.99%0.09122%0.219CC..THydrogen-bonded Turntrans-61.9-38.9172.6174.30000110.4S223 L224 E227 N324 I353 L357 G358 V361S223-V355 WeakPolarHBondContact O-CG1 3.35Å; L224-V355 HydrophobicContact CB-CG2 4.02Å; L224-V355 HydrophobicContact CD1-CG2 3.87Å; E227-V355 HydrophobicContact CB-CG1 4.09Å; N324-V355 PolarHBondContact OD1-N 2.77Å; I353-V355 HydrophobicContact CG2-CG2 4.09Å; V355-L357 VanDerWaalsContact C-N 3.28Å; V355-L357 PolarHBondContact O-N 2.94Å; V355-G358 PolarHBondContact O-N 3.28Å; V355-G358 VanDerWaalsContact O-N 3.13Å; V355-V361 HydrophobicContact CG2-CG2 4.5Å
356L91.7Very high91.6Very high144 Ų14438.7 Ų38.775%0.75421%0.212SC*.THydrogen-bonded Turntrans-63.2-30.4-179.4-177.661000113.5S354S354-L356 VanDerWaalsContact C-N 3.26Å; S354-L356 PolarHBondContact O-N 3.39Å
357L91.6Very high91.7Very high123 Ų12339 Ų3964%0.64422%0.217SC*.THydrogen-bonded Turntrans-101.65.9176.5-58.4-177000113.6D327 S354 V355 H359D327-L357 HydrophobicContact CB-CD1 3.66Å; D327-L357 HydrophobicContact CB-CG 4.04Å; S354-L357 PolarHBondContact O-N 3.47Å; S354-L357 PolarHBondContact OG-N 3.09Å; S354-L357 VanDerWaalsContact OG-N 3.15Å; V355-L357 VanDerWaalsContact C-N 3.28Å; V355-L357 PolarHBondContact O-N 2.94Å; L357-H359 HydrophobicContact CB-CB 4.38Å; L357-H359 PolarHBondContact O-N 2.9Å; L357-H359 VanDerWaalsContact O-N 3.07Å
358G90.6Very high91.8Very high26 Ų2637.8 Ų37.827%0.26820%0.202SC..THydrogen-bonded Turntrans60.810.9-170.400000114.5S354 V355 Q360 V361S354-G358 CarbonylContact O-C 3.58Å; S354-G358 PolarHBondContact O-N 3Å; S354-G358 VanDerWaalsContact O-N 3.13Å; V355-G358 PolarHBondContact O-N 3.28Å; V355-G358 VanDerWaalsContact O-N 3.13Å; G358-Q360 PolarHBondContact O-N 2.75Å; G358-V361 PolarHBondContact O-N 3.37Å
359H92.6Very high91.7Very high95 Ų9537 Ų3744%0.4420%0.197SC..BIsolated β-bridgetrans-71.2118-169.5-17481.5000111.3I353 S354 L357 V361I353-H359 WeakPolarHBondContact CG2-O 3.5Å; S354-H359 PolarHBondContact N-O 2.9Å; S354-H359 PolarHBondContact O-N 3.3Å; L357-H359 HydrophobicContact CB-CB 4.38Å; L357-H359 PolarHBondContact O-N 2.9Å; L357-H359 VanDerWaalsContact O-N 3.07Å; H359-V361 PolarHBondContact O-N 2.88Å
360Q90.6Very high91.4Very high72 Ų7238 Ų3834%0.33620%0.199SC..THydrogen-bonded Turntrans60.910.1-177.6-67.7-176.16900116.1E352 I353 G358 E362 T363 V364E352-Q360 PolarHBondContact O-NE2 3.16Å; E352-Q360 VanDerWaalsContact O-NE2 3.16Å; I353-Q360 HydrophobicContact CG1-CB 4.17Å; G358-Q360 PolarHBondContact O-N 2.75Å; Q360-E362 VanDerWaalsContact C-N 3.31Å; Q360-E362 PolarHBondContact O-N 3.47Å; Q360-T363 WeakPolarHBondContact O-CA 3Å; Q360-T363 WeakPolarHBondContact O-CB 3.31Å; Q360-T363 PolarHBondContact O-N 3.37Å; Q360-V364 PolarHBondContact O-N 2.9Å
361V91.3Very high90.8Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-59.9-40.1178.21790000111.6L224 E227 L228 L231 I353 V355 G358 H359 T363 V364L224-V361 HydrophobicContact CD1-CG1 3.98Å; L224-V361 HydrophobicContact CD1-CG2 4.49Å; E227-V361 HydrophobicContact CB-CG1 4.47Å; E227-V361 HydrophobicContact CG-CB 4.41Å; E227-V361 HydrophobicContact CG-CG1 3.97Å; E227-V361 HydrophobicContact CG-CG2 4.24Å; L228-V361 HydrophobicContact CD2-CG1 3.77Å; L228-V361 HydrophobicContact CG-CG1 3.98Å; L231-V361 HydrophobicContact CD1-CB 4.04Å; L231-V361 HydrophobicContact CD1-CG1 3.8Å; I353-V361 HydrophobicContact CG2-CG2 4Å; V355-V361 HydrophobicContact CG2-CG2 4.5Å; G358-V361 PolarHBondContact O-N 3.37Å; H359-V361 PolarHBondContact O-N 2.88Å; V361-T363 PolarHBondContact O-N 2.88Å; V361-V364 VanDerWaalsContact O-CB 3.28Å; V361-V364 WeakPolarHBondContact O-CB 3.4Å; V361-V364 WeakPolarHBondContact O-CG2 3.06Å; V361-V364 PolarHBondContact O-N 2.9Å
362E88.5Confident90Very high55 Ų5538.5 Ų38.526%0.25720%0.202SC..Hα-helixtrans-64.6-27.7173.4-57.6-161.8159.200114.1K143 L231 Q360 V364 L365 K366K143-E362 IonicContact NZ-OE1 2.65Å; K143-E362 PolarHBondContact NZ-OE1 3.13Å; K143-E362 IonicContact NZ-OE2 2.89Å; K143-E362 PolarHBondContact NZ-OE2 2.92Å; L231-E362 HydrophobicContact CD1-CG 4.28Å; Q360-E362 VanDerWaalsContact C-N 3.31Å; Q360-E362 PolarHBondContact O-N 3.47Å; E362-V364 VanDerWaalsContact C-N 3.26Å; E362-V364 PolarHBondContact O-N 3.48Å; E362-L365 PolarHBondContact O-N 3.43Å; E362-K366 WeakPolarHBondContact O-CD 3.43Å; E362-K366 WeakPolarHBondContact O-CG 3.26Å; E362-K366 PolarHBondContact O-N 3.21Å; E362-K366 IonicContact OE2-NZ 2.77Å; E362-K366 PolarHBondContact OE2-NZ 2.97Å
363T91.4Very high88.9Confident47 Ų4739.6 Ų39.629%0.28821%0.205SC..Hα-helixtrans-68-29.7-179.9-50.50000110.8L351 Q360 V361 L365 K366 V367L351-T363 HydrophobicContact CD1-CG2 4.11Å; L351-T363 HydrophobicContact CD2-CG2 3.86Å; Q360-T363 WeakPolarHBondContact O-CA 3Å; Q360-T363 WeakPolarHBondContact O-CB 3.31Å; Q360-T363 PolarHBondContact O-N 3.37Å; V361-T363 PolarHBondContact O-N 2.88Å; T363-L365 PolarHBondContact O-N 2.9Å; T363-K366 PolarHBondContact O-N 2.8Å; T363-V367 HydrophobicContact CG2-CG2 4.18Å; T363-V367 WeakPolarHBondContact O-CB 3.32Å; T363-V367 WeakPolarHBondContact O-CG2 3.37Å; T363-V367 PolarHBondContact O-N 3Å
364V92.1Very high87Confident0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-52-55.5171.9-179.80000110.5I283 L320 I322 L351 I353 Q360 V361 E362 K366 V367 L368I283-V364 HydrophobicContact CD1-CG1 3.92Å; L320-V364 HydrophobicContact CD2-CG1 3.93Å; I322-V364 HydrophobicContact CD1-CG1 4.09Å; I322-V364 HydrophobicContact CD1-CG2 3.88Å; L351-V364 HydrophobicContact CD1-CG2 4.25Å; I353-V364 HydrophobicContact CD1-CG2 3.11Å; Q360-V364 PolarHBondContact O-N 2.9Å; V361-V364 VanDerWaalsContact O-CB 3.28Å; V361-V364 WeakPolarHBondContact O-CB 3.4Å; V361-V364 WeakPolarHBondContact O-CG2 3.06Å; V361-V364 PolarHBondContact O-N 2.9Å; E362-V364 VanDerWaalsContact C-N 3.26Å; E362-V364 PolarHBondContact O-N 3.48Å; V364-K366 PolarHBondContact O-N 2.84Å; V364-V367 PolarHBondContact O-N 3.19Å; V364-L368 HydrophobicContact CG1-CD1 3.66Å; V364-L368 HydrophobicContact CG1-CG 4.29Å; V364-L368 WeakPolarHBondContact O-CB 3.45Å; V364-L368 VanDerWaalsContact O-CG 3.29Å; V364-L368 WeakPolarHBondContact O-CG 3.45Å; V364-L368 PolarHBondContact O-N 2.92Å
365L88.5Confident84.9Confident0 Ų048.2 Ų48.20%026%0.262CS..Hα-helixtrans-65.2-40.4-178.1-172.272.9000111.6F145 F232 I252 V261 F263 E362 T363 V367 L368 L369F145-L365 HydrophobicContact CE2-CD2 3.87Å; F145-L365 HydrophobicContact CZ-CD2 3.88Å; F232-L365 HydrophobicContact CD1-CD2 4.03Å; F232-L365 HydrophobicContact CE1-CD2 3.27Å; F232-L365 HydrophobicContact CE2-CD2 4.1Å; F232-L365 HydrophobicContact CZ-CB 4.33Å; F232-L365 HydrophobicContact CZ-CD2 3.33Å; F232-L365 HydrophobicContact CZ-CG 4.46Å; I252-L365 HydrophobicContact CD1-CD1 3.78Å; I252-L365 HydrophobicContact CD1-CD2 3.67Å; I252-L365 HydrophobicContact CD1-CG 4.25Å; I252-L365 HydrophobicContact CG1-CD2 4.21Å; V261-L365 HydrophobicContact CB-CD1 4.48Å; V261-L365 HydrophobicContact CG1-CD1 4.34Å; V261-L365 HydrophobicContact CG2-CD1 4.24Å; F263-L365 HydrophobicContact CE2-CD1 4.4Å; F263-L365 HydrophobicContact CZ-CD1 3.98Å; E362-L365 PolarHBondContact O-N 3.43Å; T363-L365 PolarHBondContact O-N 2.9Å; L365-V367 VanDerWaalsContact C-N 3.31Å; L365-V367 PolarHBondContact O-N 3.31Å; L365-L368 PolarHBondContact O-N 3.19Å; L365-L369 HydrophobicContact CD1-CD1 4.26Å; L365-L369 HydrophobicContact CD1-CG 4.24Å; L365-L369 HydrophobicContact CD2-CD1 4.33Å; L365-L369 HydrophobicContact CG-CD1 3.85Å; L365-L369 HydrophobicContact CG-CG 4.23Å; L365-L369 WeakPolarHBondContact O-CB 3.49Å; L365-L369 VanDerWaalsContact O-CG 3.29Å; L365-L369 WeakPolarHBondContact O-CG 3.35Å; L365-L369 PolarHBondContact O-N 3.09Å
366K87.7Confident82.4Confident48 Ų4856.5 Ų56.521%0.20930%0.297CS..Hα-helixtrans-59.7-40.3177.3-69.3159-177.5169.20111.6F145 E155 E362 T363 V364 N370F145-K366 HydrophobicContact CD1-CG 4.34Å; F145-K366 HydrophobicContact CE1-CD 4.37Å; F145-K366 HydrophobicContact CE1-CG 3.65Å; F145-K366 HydrophobicContact CZ-CG 4.49Å; E155-K366 WeakPolarHBondContact OE2-CE 3.39Å; E155-K366 IonicContact OE2-NZ 3.31Å; E155-K366 PolarHBondContact OE2-NZ 3.45Å; E362-K366 WeakPolarHBondContact O-CD 3.43Å; E362-K366 WeakPolarHBondContact O-CG 3.26Å; E362-K366 PolarHBondContact O-N 3.21Å; E362-K366 IonicContact OE2-NZ 2.77Å; E362-K366 PolarHBondContact OE2-NZ 2.97Å; T363-K366 PolarHBondContact O-N 2.8Å; V364-K366 PolarHBondContact O-N 2.84Å; K366-N370 WeakPolarHBondContact O-CB 3.27Å
367V89.8Confident80Confident35 Ų3556.2 Ų56.221%0.21229%0.29CS..Hα-helixtrans-76.2-44.6176.9171.70000112.1L320 A349 L351 T363 V364 L365 L369 N370 E371L320-V367 HydrophobicContact CD1-CG1 4.14Å; L320-V367 HydrophobicContact CD2-CG1 4.47Å; A349-V367 HydrophobicContact CB-CG1 3.76Å; L351-V367 HydrophobicContact CD1-CB 4.38Å; L351-V367 HydrophobicContact CD1-CG2 4.16Å; L351-V367 HydrophobicContact CD2-CG2 4.49Å; T363-V367 HydrophobicContact CG2-CG2 4.18Å; T363-V367 WeakPolarHBondContact O-CB 3.32Å; T363-V367 WeakPolarHBondContact O-CG2 3.37Å; T363-V367 PolarHBondContact O-N 3Å; V364-V367 PolarHBondContact O-N 3.19Å; L365-V367 VanDerWaalsContact C-N 3.31Å; L365-V367 PolarHBondContact O-N 3.31Å; V367-L369 PolarHBondContact O-N 2.79Å; V367-N370 WeakPolarHBondContact O-CB 3.19Å; V367-N370 PolarHBondContact O-N 3.4Å; V367-E371 PolarHBondContact O-N 2.94Å
368L88.8Confident77.6Confident5 Ų553.7 Ų53.73%0.02628%0.275CS..Hα-helixtrans-59.9-48.4178.5-74.4171.7000112.2V211 F263 A281 I283 L320 V364 L365 N370 E371 L372V211-L368 HydrophobicContact CG1-CD1 4.01Å; F263-L368 HydrophobicContact CE1-CD1 4.11Å; A281-L368 HydrophobicContact CB-CD2 4.07Å; I283-L368 HydrophobicContact CD1-CD1 3.77Å; I283-L368 HydrophobicContact CG1-CD1 3.97Å; I283-L368 HydrophobicContact CG1-CD2 4.16Å; L320-L368 HydrophobicContact CB-CD2 3.99Å; L320-L368 HydrophobicContact CD2-CD1 4.48Å; L320-L368 HydrophobicContact CD2-CD2 3.9Å; L320-L368 HydrophobicContact CD2-CG 3.84Å; V364-L368 HydrophobicContact CG1-CD1 3.66Å; V364-L368 HydrophobicContact CG1-CG 4.29Å; V364-L368 WeakPolarHBondContact O-CB 3.45Å; V364-L368 VanDerWaalsContact O-CG 3.29Å; V364-L368 WeakPolarHBondContact O-CG 3.45Å; V364-L368 PolarHBondContact O-N 2.92Å; L365-L368 PolarHBondContact O-N 3.19Å; L368-N370 PolarHBondContact O-N 3.15Å; L368-E371 PolarHBondContact O-N 3.15Å; L368-L372 VanDerWaalsContact O-CB 3.25Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 WeakPolarHBondContact O-CG 3.12Å; L368-L372 PolarHBondContact O-N 3.11Å
369L86.4Confident75.4Confident5 Ų562.1 Ų62.13%0.02630%0.299CS..Hα-helixtrans-61.1-25.5176.9-69.8172.9000112.1F145 I153 I252 V261 L365 V367 R373F145-L369 HydrophobicContact CD2-CD1 4.19Å; F145-L369 HydrophobicContact CE2-CD1 4.37Å; F145-L369 HydrophobicContact CG-CD1 4.48Å; I153-L369 HydrophobicContact CD1-CB 3.41Å; I153-L369 VanDerWaalsContact CD1-CB 3.41Å; I153-L369 VanDerWaalsContact CD1-O 3.28Å; I153-L369 WeakPolarHBondContact CD1-O 3.36Å; I252-L369 HydrophobicContact CG2-CD1 4.28Å; V261-L369 HydrophobicContact CG2-CD2 3.98Å; L365-L369 HydrophobicContact CD1-CD1 4.26Å; L365-L369 HydrophobicContact CD1-CG 4.24Å; L365-L369 HydrophobicContact CD2-CD1 4.33Å; L365-L369 HydrophobicContact CG-CD1 3.85Å; L365-L369 HydrophobicContact CG-CG 4.23Å; L365-L369 WeakPolarHBondContact O-CB 3.49Å; L365-L369 VanDerWaalsContact O-CG 3.29Å; L365-L369 WeakPolarHBondContact O-CG 3.35Å; L365-L369 PolarHBondContact O-N 3.09Å; V367-L369 PolarHBondContact O-N 2.79Å; L369-R373 WeakPolarHBondContact O-CB 3.34Å; L369-R373 WeakPolarHBondContact O-CG 3.49Å; L369-R373 PolarHBondContact O-N 3Å
370N85.6Confident73.1Confident43 Ų4367.6 Ų67.623%0.2332%0.316CS..Hα-helixtrans-79.9-36.7-179.5-173.678.5000112.2I153 K366 V367 L368I153-N370 HydrophobicContact CD1-CB 3.94Å; I153-N370 VanDerWaalsContact CD1-N 3.3Å; I153-N370 HydrophobicContact CG1-CB 4.09Å; K366-N370 WeakPolarHBondContact O-CB 3.27Å; V367-N370 WeakPolarHBondContact O-CB 3.19Å; V367-N370 PolarHBondContact O-N 3.4Å; L368-N370 PolarHBondContact O-N 3.15Å
371E82.5Confident70.9Confident55 Ų5570.4 Ų70.426%0.25733%0.327SS..Hα-helixtrans-80.1-33.1173.4-65.7-61.613100112.7P318 V367 L368 R373 M378P318-E371 HydrophobicContact CB-CB 3.77Å; V367-E371 PolarHBondContact O-N 2.94Å; L368-E371 PolarHBondContact O-N 3.15Å; E371-R373 VanDerWaalsContact C-N 3.29Å; E371-R373 PolarHBondContact O-N 2.93Å; E371-M378 WeakPolarHBondContact OE2-CE 3.12Å
372L79Confident68.7Low14 Ų1474.4 Ų74.47%0.07334%0.342CS..Hα-helixtrans-69.1-23.8173-79167.4000113.2F209 V211 A281 P318 L368F209-L372 HydrophobicContact CB-CD1 3.97Å; F209-L372 HydrophobicContact CD1-CB 4.01Å; F209-L372 HydrophobicContact CD1-CD1 3.88Å; F209-L372 HydrophobicContact CD1-CD2 3.93Å; F209-L372 HydrophobicContact CD1-CG 4.17Å; F209-L372 HydrophobicContact CE1-CB 4.01Å; F209-L372 HydrophobicContact CG-CD1 4.03Å; V211-L372 HydrophobicContact CG2-CD1 4.46Å; A281-L372 HydrophobicContact CB-CD1 4.12Å; A281-L372 HydrophobicContact CB-CD2 3.7Å; A281-L372 HydrophobicContact CB-CG 3.88Å; P318-L372 HydrophobicContact CG-CD2 4.06Å; L368-L372 VanDerWaalsContact O-CB 3.25Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 WeakPolarHBondContact O-CG 3.12Å; L368-L372 PolarHBondContact O-N 3.11Å
373R73.7Confident66.4Low48 Ų4874.8 Ų74.818%0.18135%0.351CS..SBendtrans-72.6129.9172.5-96.1-176161.1123.3-9.8109.6V147 E255 L369 E371 S375V147-R373 VanDerWaalsContact CG2-CZ 3.41Å; V147-R373 VanDerWaalsContact CG2-NH2 3.33Å; E255-R373 VanDerWaalsContact CG-NH2 3.27Å; E255-R373 IonicContact OE2-CZ 3.61Å; E255-R373 IonicContact OE2-NE 2.74Å; E255-R373 IonicContact OE2-NH2 2.67Å; E255-R373 PolarHBondContact OE2-NH2 3.13Å; L369-R373 WeakPolarHBondContact O-CB 3.34Å; L369-R373 WeakPolarHBondContact O-CG 3.49Å; L369-R373 PolarHBondContact O-N 3Å; E371-R373 VanDerWaalsContact C-N 3.29Å; E371-R373 PolarHBondContact O-N 2.93Å; R373-S375 PolarHBondContact O-N 3.37Å
374P55.8Low64.4Low126 Ų12675.9 Ų75.982%0.81836%0.36SS*.  trans-72.666.6175.629.8-35.6000112.2K376P374-K376 PolarHBondContact O-N 2.92Å
375S50.7Low62.3Low56 Ų5683.3 Ų83.339%0.39239%0.39SS..  trans-69.3116.9177.9-174.60000109.9R373 K377 M378R373-S375 PolarHBondContact O-N 3.37Å; S375-K377 PolarHBondContact O-N 3.44Å; S375-M378 PolarHBondContact O-N 2.95Å
376K41.2Very low60.2Low190 Ų19091.8 Ų91.883%0.82642%0.422SS*.THydrogen-bonded Turntrans-55.8-8-177.9-62.8177.3-179.1175.50114.4P374P374-K376 PolarHBondContact O-N 2.92Å
377K41.8Very low57.9Low137 Ų13793.8 Ų93.860%0.59644%0.441SS*.THydrogen-bonded Turntrans-74.4-34.3178.7-62.2-176.8179.2-175.30113.7E150 S375 R379 R380E150-K377 PolarHBondContact O-NZ 3.12Å; S375-K377 PolarHBondContact O-N 3.44Å; K377-R379 PolarHBondContact O-N 2.9Å; K377-R380 PolarHBondContact O-N 3.33Å
378M41.8Very low55.9Low70 Ų70102 Ų10235%0.34547%0.468SS..G310 helixtrans-65.7-36.4-172.3-168.26289.900113E371 S375 R380 K381E371-M378 WeakPolarHBondContact OE2-CE 3.12Å; S375-M378 PolarHBondContact O-N 2.95Å; M378-R380 PolarHBondContact O-N 2.95Å; M378-K381 PolarHBondContact O-N 2.69Å; M378-K381 VanDerWaalsContact O-N 3.09Å
379R44.1Very low53.9Low204 Ų204110.6 Ų110.677%0.7751%0.505SS*.G310 helixtrans-56.7-14.2179.2-61.4-173.984.3174.87.8114.7K377K377-R379 PolarHBondContact O-N 2.9Å
380R43.5Very low51.9Low210 Ų210121.8 Ų121.879%0.79255%0.547SS*.G310 helixtrans-101.7-14.9179.1-74.2-175.8168.6135.1-2.9115.5K377 M378 S383K377-R380 PolarHBondContact O-N 3.33Å; M378-R380 PolarHBondContact O-N 2.95Å; R380-S383 PolarHBondContact O-OG 2.69Å
381K43.9Very low50Low130 Ų130123.7 Ų123.757%0.56556%0.563SS**Hα-helixtrans-82.4-54.4178.5-74.8-172.7177.2179.70112.1M378 S383 S384 Y385M378-K381 PolarHBondContact O-N 2.69Å; M378-K381 VanDerWaalsContact O-N 3.09Å; K381-S383 PolarHBondContact O-N 2.85Å; K381-S383 VanDerWaalsContact O-N 3.14Å; K381-S384 WeakPolarHBondContact O-CB 3.3Å; K381-S384 PolarHBondContact O-N 2.83Å; K381-Y385 HydrophobicContact CB-CE2 4.17Å; K381-Y385 VanDerWaalsContact O-CD2 3.31Å; K381-Y385 WeakPolarHBondContact O-CD2 3.42Å; K381-Y385 WeakPolarHBondContact O-CE2 3.12Å
382R45.4Very low48.2Very low85 Ų85129.6 Ų129.632%0.32159%0.591SS.*Hα-helixtrans-58.3-27.9-177.3-103.8170.114890.7-2.5113.6D309 Y346 G347D309-R382 IonicContact OD1-NH2 3.66Å; D309-R382 IonicContact OD2-CZ 3.76Å; D309-R382 IonicContact OD2-NE 3.92Å; D309-R382 IonicContact OD2-NH2 3.21Å; D309-R382 PolarHBondContact OD2-NH2 3.03Å; Y346-R382 PolarHBondContact O-NH2 2.87Å; G347-R382 PolarHBondContact O-NH1 2.87Å
383S41.8Very low46.7Very low62 Ų62134 Ų13443%0.43462%0.623SS.*Hα-helixtrans-73.5-37.2174.355.30000114R380 K381 Y385 R386 C387R380-S383 PolarHBondContact O-OG 2.69Å; K381-S383 PolarHBondContact O-N 2.85Å; K381-S383 VanDerWaalsContact O-N 3.14Å; S383-Y385 VanDerWaalsContact C-N 3.33Å; S383-Y385 PolarHBondContact O-N 2.81Å; S383-R386 PolarHBondContact O-N 3.3Å; S383-C387 PolarHBondContact O-N 3.42Å
384S48.9Very low45.1Very low71 Ų71141.2 Ų141.250%0.49766%0.656SS.*Hα-helixtrans-59.7-42.2179.9-169.70000112.1K381 R386 C387 R388K381-S384 WeakPolarHBondContact O-CB 3.3Å; K381-S384 PolarHBondContact O-N 2.83Å; S384-R386 VanDerWaalsContact C-N 3.33Å; S384-R386 PolarHBondContact O-N 3.38Å; S384-C387 PolarHBondContact O-N 3.1Å; S384-R388 PolarHBondContact O-N 3.14Å
385Y46.6Very low44.2Very low156 Ų156142.8 Ų142.861%0.61266%0.657SS**Hα-helixtrans-65.8-31.6178.4-48.5-52.3000113.2K381 S383K381-Y385 HydrophobicContact CB-CE2 4.17Å; K381-Y385 VanDerWaalsContact O-CD2 3.31Å; K381-Y385 WeakPolarHBondContact O-CD2 3.42Å; K381-Y385 WeakPolarHBondContact O-CE2 3.12Å; S383-Y385 VanDerWaalsContact C-N 3.33Å; S383-Y385 PolarHBondContact O-N 2.81Å
386R45.3Very low43.8Very low178 Ų178146.6 Ų146.667%0.67268%0.678SS**Hα-helixtrans-79-38.1176.2-74.2-170.9176.9-179.62112.6S383 S384S383-R386 PolarHBondContact O-N 3.3Å; S384-R386 VanDerWaalsContact C-N 3.33Å; S384-R386 PolarHBondContact O-N 3.38Å
387C39.5Very low43.4Very low90 Ų90146.6 Ų146.661%0.60868%0.683SS**Hα-helixtrans-66.5-37.3178.3-70.80000113.2S383 S384 K389 R390S383-C387 PolarHBondContact O-N 3.42Å; S384-C387 PolarHBondContact O-N 3.1Å; C387-K389 PolarHBondContact O-N 2.82Å; C387-K389 VanDerWaalsContact O-N 3.12Å; C387-R390 PolarHBondContact O-N 3.07Å
388R47.7Very low43.3Very low207 Ų207144.1 Ų144.178%0.78169%0.688SS**THydrogen-bonded Turntrans-67.6-12.6-175-155171.2-177-179.3-0.9114.7S384S384-R388 PolarHBondContact O-N 3.14Å
389K46.9Very low43.1Very low185 Ų185150.3 Ų150.380%0.80471%0.713SS**THydrogen-bonded Turntrans-90.7-2.5172.9-74.4-167.2174.7-173.90114.8C387C387-K389 PolarHBondContact O-N 2.82Å; C387-K389 VanDerWaalsContact O-N 3.12Å
390R43.8Very low42.8Very low241 Ų241145.4 Ų145.491%0.90971%0.71SS**SBendtrans-113.70.9-178.3-101.9-179.5172.3171.5-2.7115.3C387C387-R390 PolarHBondContact O-N 3.07Å
391S46.8Very low42.5Very low83 Ų83143.5 Ų143.558%0.5871%0.71SS**  trans-113.21.8-176.956.10000115.5S393S391-S393 VanDerWaalsContact C-N 3.3Å; S391-S393 PolarHBondContact O-N 3.47Å
392Q44.5Very low42.3Very low178 Ų178145.9 Ų145.983%0.83272%0.721SS**  trans-79.476.8173.2-80.2-73.8-25.300110.5K394Q392-K394 PolarHBondContact O-N 2.86Å
393S46.1Very low42Very low107 Ų107151.4 Ų151.475%0.74875%0.75SS**  trans-74.2109.5176.5-71.30000111.7S391 N395S391-S393 VanDerWaalsContact C-N 3.3Å; S391-S393 PolarHBondContact O-N 3.47Å; S393-N395 PolarHBondContact O-N 2.87Å
394K40.9Very low42Very low199 Ų199152.7 Ų152.787%0.86575%0.751SS**SBendtrans21.790.1153-61.3178.2-179.5179.50116.2Q392Q392-K394 PolarHBondContact O-N 2.86Å
395N38.2Very low41.8Very low160 Ų160153.3 Ų153.386%0.85675%0.754SS**  trans-171.8163.8144.4-99-30.1000111.7S393S393-N395 PolarHBondContact O-N 2.87Å
396V41Very low42.3Very low136 Ų136149.7 Ų149.782%0.82475%0.751SS**  trans68.7106.3177.2-168.70000115.9
397M33.7Very low42.7Very low190 Ų190149.3 Ų149.394%0.93675%0.75SS**  trans-81.7125.2159-70.2163.751.300110.2
398A38.5Very low43.7Very low84 Ų84147.7 Ų147.769%0.69474%0.738SS**  trans-165.2111.3155.400000114.1
399K37.7Very low43.9Very low200 Ų200142.9 Ų142.987%0.8772%0.719SS**  trans63.5152.2146.3-62.9-179.5175.8-179.20121.3
400S38.6Very low44.4Very low102 Ų102136.2 Ų136.271%0.71369%0.691SS**  trans56.1102.1158.548.10000120.2
401E37.4Very low45.3Very low169 Ų169128.7 Ų128.779%0.7967%0.668SS**  71110.2126.5-67.7167.2-165.900121.6H403E401-H403 PolarHBondContact O-N 3.43Å
402F38.9Very low46.3Very low181 Ų181130 Ų13079%0.79466%0.664SS**  trans55.845139.5-66.3-73.9000121.2L404F402-L404 HydrophobicContact CD1-CD1 4.09Å; F402-L404 HydrophobicContact CD1-CG 4.48Å; F402-L404 PolarHBondContact O-N 3.17Å
403H39.7Very low47.1Very low200 Ų200124.1 Ų124.193%0.92664%0.638SS**  trans-78.370.6152.7-92.4-36.7000112.8E401E401-H403 PolarHBondContact O-N 3.43Å
404L41.5Very low47.8Very low89 Ų89123.9 Ų123.947%0.46662%0.621SS.*  trans-73.6141.7167.1-83.3168.2000111.1F402F402-L404 HydrophobicContact CD1-CD1 4.09Å; F402-L404 HydrophobicContact CD1-CG 4.48Å; F402-L404 PolarHBondContact O-N 3.17Å
405P44.8Very low48.8Very low84 Ų84123.2 Ų123.255%0.54561%0.613SS.*  trans-57.7150.7172.8-25.535.1000113R407 T408 W409P405-R407 VanDerWaalsContact C-N 3.28Å; P405-R407 PolarHBondContact O-N 3.49Å; P405-R407 VanDerWaalsContact O-N 3.12Å; P405-T408 WeakPolarHBondContact CD-OG1 3.5Å; P405-T408 PolarHBondContact O-N 2.74Å; P405-T408 PolarHBondContact O-OG1 2.84Å; P405-W409 PolarHBondContact O-N 3.39Å
406S57.6Low49.8Very low81 Ų81123.1 Ų123.157%0.56660%0.6SS**Hα-helixtrans-55.1-36.1-172.449.20000114.6W409 F410S406-W409 PolarHBondContact O-N 2.89Å; S406-F410 WeakPolarHBondContact O-CD2 3.4Å; S406-F410 PolarHBondContact O-N 3.23Å; S406-F410 VanDerWaalsContact O-N 3.15Å
407R53.6Low50.4Low169 Ų169120.9 Ų120.964%0.63858%0.581SS**Hα-helixtrans-56.8-52174-70-174171.1-167.1-6.3111.8P405 W409 F410 D411P405-R407 VanDerWaalsContact C-N 3.28Å; P405-R407 PolarHBondContact O-N 3.49Å; P405-R407 VanDerWaalsContact O-N 3.12Å; R407-W409 VanDerWaalsContact C-N 3.25Å; R407-W409 PolarHBondContact O-N 3.06Å; R407-F410 PolarHBondContact O-N 3.45Å; R407-D411 PolarHBondContact O-N 3.07Å
408T58.9Low51.3Low57 Ų57118.5 Ų118.535%0.3557%0.565SS.*Hα-helixtrans-67.8-20178.341.10000114.3P405 F412P405-T408 WeakPolarHBondContact CD-OG1 3.5Å; P405-T408 PolarHBondContact O-N 2.74Å; P405-T408 PolarHBondContact O-OG1 2.84Å; T408-F412 WeakPolarHBondContact O-CB 3.46Å; T408-F412 PolarHBondContact O-N 3.38Å
409W53.8Low51.7Low106 Ų106118 Ų11840%0.40256%0.555SS.*Hα-helixtrans-76-39.8173-174.774.9000111.9P405 S406 R407 F412 L413P405-W409 PolarHBondContact O-N 3.39Å; S406-W409 PolarHBondContact O-N 2.89Å; R407-W409 VanDerWaalsContact C-N 3.25Å; R407-W409 PolarHBondContact O-N 3.06Å; W409-F412 WeakPolarHBondContact O-CB 3.27Å; W409-F412 PolarHBondContact O-N 3.04Å; W409-L413 HydrophobicContact CD2-CD1 3.95Å; W409-L413 HydrophobicContact CD2-CG 4.44Å; W409-L413 HydrophobicContact CE3-CD1 3.75Å; W409-L413 HydrophobicContact CH2-CD1 3.68Å; W409-L413 HydrophobicContact CZ2-CD1 3.83Å; W409-L413 HydrophobicContact CZ3-CD1 3.61Å; W409-L413 PolarHBondContact O-N 2.74Å
410F56.7Low52.3Low45 Ų45113.5 Ų113.520%0.19754%0.541CS..Hα-helixtrans-68.5-35.1171.3-75-65.6000112.6L342 S406 R407 F412 L413 R414L342-F410 HydrophobicContact CD1-CE1 3.81Å; L342-F410 HydrophobicContact CD1-CZ 3.81Å; S406-F410 WeakPolarHBondContact O-CD2 3.4Å; S406-F410 PolarHBondContact O-N 3.23Å; S406-F410 VanDerWaalsContact O-N 3.15Å; R407-F410 PolarHBondContact O-N 3.45Å; F410-F412 VanDerWaalsContact C-N 3.3Å; F410-F412 PolarHBondContact O-N 2.67Å; F410-L413 HydrophobicContact CD1-CD1 4.22Å; F410-L413 HydrophobicContact CE1-CD1 4.44Å; F410-L413 PolarHBondContact O-N 3.37Å; F410-R414 WeakPolarHBondContact O-CB 3.46Å; F410-R414 PolarHBondContact O-N 3.3Å
411D62.7Low52.9Low83 Ų83111.9 Ų111.944%0.44453%0.529SS..Hα-helixtrans-60.5-39.6168.5-76.4-48.6000112.1R407 R415R407-D411 PolarHBondContact O-N 3.07Å; D411-R415 WeakPolarHBondContact O-CB 3.14Å; D411-R415 VanDerWaalsContact O-CG 3.24Å; D411-R415 WeakPolarHBondContact O-CG 3.27Å; D411-R415 PolarHBondContact O-N 3.47Å
412F66.9Low53.5Low109 Ų109109 Ų10948%0.47852%0.519SS..Hα-helixtrans-66.7-45.7176.6174.1-97.8000112.1T408 W409 F410 R415 R416T408-F412 WeakPolarHBondContact O-CB 3.46Å; T408-F412 PolarHBondContact O-N 3.38Å; W409-F412 WeakPolarHBondContact O-CB 3.27Å; W409-F412 PolarHBondContact O-N 3.04Å; F410-F412 VanDerWaalsContact C-N 3.3Å; F410-F412 PolarHBondContact O-N 2.67Å; F412-R415 PolarHBondContact O-N 3.41Å; F412-R416 WeakPolarHBondContact O-CB 3.33Å; F412-R416 PolarHBondContact O-N 3.45Å
413L62.2Low54Low56 Ų56107.3 Ų107.329%0.29351%0.513SS..Hα-helixtrans-62-45.3174.3-72.9175000112.1W409 F410 R415 R416 Q417W409-L413 HydrophobicContact CD2-CD1 3.95Å; W409-L413 HydrophobicContact CD2-CG 4.44Å; W409-L413 HydrophobicContact CE3-CD1 3.75Å; W409-L413 HydrophobicContact CH2-CD1 3.68Å; W409-L413 HydrophobicContact CZ2-CD1 3.83Å; W409-L413 HydrophobicContact CZ3-CD1 3.61Å; W409-L413 PolarHBondContact O-N 2.74Å; F410-L413 HydrophobicContact CD1-CD1 4.22Å; F410-L413 HydrophobicContact CE1-CD1 4.44Å; F410-L413 PolarHBondContact O-N 3.37Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 3.12Å; L413-R416 PolarHBondContact O-N 3.24Å; L413-Q417 PolarHBondContact O-N 3.32Å
414R60.1Low54.4Low102 Ų102102.1 Ų102.139%0.38550%0.5SS..Hα-helixtrans-63.9-29.4178.1-169.5175.9-61.8-138.6-4.1112.7D299 F410 K418D299-R414 IonicContact OD1-CZ 2.95Å; D299-R414 IonicContact OD1-NH1 3.65Å; D299-R414 PolarHBondContact OD1-NH1 3.41Å; D299-R414 IonicContact OD1-NH2 3.84Å; D299-R414 PolarHBondContact OD1-NH2 2.79Å; D299-R414 IonicContact OD2-CZ 3.24Å; D299-R414 IonicContact OD2-NH1 2.79Å; D299-R414 PolarHBondContact OD2-NH1 3.2Å; D299-R414 IonicContact OD2-NH2 2.92Å; F410-R414 WeakPolarHBondContact O-CB 3.46Å; F410-R414 PolarHBondContact O-N 3.3Å; R414-K418 WeakPolarHBondContact O-CG 3.49Å
415R63.1Low54.6Low185 Ų185104.1 Ų104.170%0.69851%0.51SS*.Hα-helixtrans-72.7-45.1168.2-73.6170.4-174.1-1671.4111.4D411 F412 L413 K418 C419D411-R415 WeakPolarHBondContact O-CB 3.14Å; D411-R415 VanDerWaalsContact O-CG 3.24Å; D411-R415 WeakPolarHBondContact O-CG 3.27Å; D411-R415 PolarHBondContact O-N 3.47Å; F412-R415 PolarHBondContact O-N 3.41Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 3.12Å; R415-K418 PolarHBondContact O-N 3.21Å; R415-C419 PolarHBondContact O-N 2.88Å; R415-C419 PolarHBondContact O-SG 3.33Å
416R58.8Low54.4Low158 Ų158112.2 Ų112.260%0.59654%0.537SS*.Hα-helixtrans-63.7-42.4-177.7-170.8172.9-180167.6-0.8113.2F412 L413 K418 C419 L420F412-R416 WeakPolarHBondContact O-CB 3.33Å; F412-R416 PolarHBondContact O-N 3.45Å; L413-R416 PolarHBondContact O-N 3.24Å; R416-K418 VanDerWaalsContact C-N 3.31Å; R416-K418 PolarHBondContact O-N 2.91Å; R416-C419 WeakPolarHBondContact O-CB 3.4Å; R416-C419 PolarHBondContact O-N 3.19Å; R416-L420 PolarHBondContact O-N 3.05Å
417Q53.7Low54.2Low88 Ų88113.8 Ų113.841%0.41154%0.536SS..Hα-helixtrans-61.9-39174.2-73.6-174-55.900112N291 L413 C419 L420 S421N291-Q417 PolarHBondContact OD1-NE2 3.32Å; L413-Q417 PolarHBondContact O-N 3.32Å; Q417-C419 VanDerWaalsContact C-N 3.26Å; Q417-C419 PolarHBondContact O-N 3.23Å; Q417-L420 PolarHBondContact O-N 3.22Å; Q417-S421 PolarHBondContact O-N 2.82Å; Q417-S421 PolarHBondContact O-OG 3.1Å
418K52.8Low54.3Low140 Ų140110.9 Ų110.961%0.60953%0.53SS*.Hα-helixtrans-68.4-19.4176.7-73.5-173.3176.5-164.90114.5R414 R415 R416 S421 L422R414-K418 WeakPolarHBondContact O-CG 3.49Å; R415-K418 PolarHBondContact O-N 3.21Å; R416-K418 VanDerWaalsContact C-N 3.31Å; R416-K418 PolarHBondContact O-N 2.91Å; K418-S421 WeakPolarHBondContact CA-OG 3.23Å; K418-S421 PolarHBondContact O-OG 3.1Å; K418-L422 WeakPolarHBondContact O-CD1 3.36Å
419C46.6Very low54Low73 Ų73113.9 Ų113.949%0.49354%0.54SS..Hα-helixtrans-75.6-45.8169.5-640000111.1R415 R416 Q417 S421 L422 E423R415-C419 PolarHBondContact O-N 2.88Å; R415-C419 PolarHBondContact O-SG 3.33Å; R416-C419 WeakPolarHBondContact O-CB 3.4Å; R416-C419 PolarHBondContact O-N 3.19Å; Q417-C419 VanDerWaalsContact C-N 3.26Å; Q417-C419 PolarHBondContact O-N 3.23Å; C419-S421 VanDerWaalsContact C-N 3.26Å; C419-S421 PolarHBondContact O-N 3.34Å; C419-L422 PolarHBondContact O-N 2.91Å; C419-E423 PolarHBondContact O-N 2.91Å
420L49.7Very low54Low107 Ų107114.4 Ų114.456%0.5655%0.549SS*.Hα-helixtrans-62.7-31.4-179.4-65.4170.4000112.7R416 Q417 L422R416-L420 PolarHBondContact O-N 3.05Å; Q417-L420 PolarHBondContact O-N 3.22Å; L420-L422 PolarHBondContact O-N 2.84Å
421S50.4Low53.8Low67 Ų67118.7 Ų118.747%0.46957%0.57SS.*THydrogen-bonded Turntrans-76.7-0.9173.562.90000115Q417 K418 C419Q417-S421 PolarHBondContact O-N 2.82Å; Q417-S421 PolarHBondContact O-OG 3.1Å; K418-S421 WeakPolarHBondContact CA-OG 3.23Å; K418-S421 PolarHBondContact O-OG 3.1Å; C419-S421 VanDerWaalsContact C-N 3.26Å; C419-S421 PolarHBondContact O-N 3.34Å
422L50.8Low53.3Low110 Ų110121.1 Ų121.158%0.57658%0.579SS**THydrogen-bonded Turntrans-112.1-22.4176.1-73.6171.3000112.5K418 C419 L420 S424 L425K418-L422 WeakPolarHBondContact O-CD1 3.36Å; C419-L422 PolarHBondContact O-N 2.91Å; L420-L422 PolarHBondContact O-N 2.84Å; L422-S424 PolarHBondContact O-N 3.48Å; L422-L425 HydrophobicContact CD2-CD1 4.49Å; L422-L425 PolarHBondContact O-N 2.99Å
423E48.8Very low52.3Low144 Ų144121.9 Ų121.967%0.67359%0.586SS**THydrogen-bonded Turntrans-72-0.7171.2-67.7177.8150.100113.2C419C419-E423 PolarHBondContact O-N 2.91Å
424S48.7Very low51.5Low92 Ų92127 Ų12764%0.64361%0.609SS**THydrogen-bonded Turntrans-105.614.6169.6680000113.8L422L422-S424 PolarHBondContact O-N 3.48Å
425L46.4Very low50.8Low130 Ų130129.1 Ų129.168%0.68163%0.627SS**  trans-129.118.3-179.9-78.6168.6000113L422L422-L425 HydrophobicContact CD2-CD1 4.49Å; L422-L425 PolarHBondContact O-N 2.99Å
426F39.8Very low49.7Very low255 Ų255124 Ų124100%1.11862%0.621SS**  trans-135.60170.8-85.9-82.9000109.9

Retrieved 426 of 426 residues in 635.5 ms (Link to these results)