A0A077ZFL6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 289 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.3Very low34.1Very low241 Ų241144.7 Ų144.7100%1.18787%0.865SS**  0114.70-71-170.4167.900107.8
2P36.5Very low34.1Very low128 Ų128143.1 Ų143.183%0.83186%0.857SS**  trans-90.1134.4-17233.7-28.5000110.8
3R37.9Very low33.9Very low251 Ų251146.4 Ų146.495%0.94786%0.857SS**  trans-88111.2164.6-89.9-176.9167.6176.7-3.4108.5
4T37.6Very low33.8Very low137 Ų137143.4 Ų143.484%0.8485%0.848SS**  trans-64.3127.3159.743.50000109.8
5G36.3Very low33.7Very low72 Ų72144.4 Ų144.474%0.74284%0.838SS**  trans-149.5101168.600000109
6L32.4Very low33.8Very low178 Ų178143.9 Ų143.993%0.93283%0.829SS**  trans-63.9128.3166.9-88.290.7000108.9
7S36Very low33.8Very low114 Ų114143.1 Ų143.180%0.79782%0.816SS**  trans-137.1107.9149.366.30000109.1
8S29.4Very low34Very low114 Ų114140.6 Ų140.680%0.79780%0.799SS**  trans-69.7122.7165.61470000108.9
9C34.7Very low34Very low128 Ų128138.3 Ų138.387%0.86579%0.788SS**  trans-154.6112.4154.4-970000110.4
10G30.7Very low34.3Very low70 Ų70140.1 Ų140.172%0.72279%0.79SS**  trans70.390.1139.500000118T12G10-T12 PolarHBondContact O-N 2.89Å
11N28.2Very low34.4Very low159 Ų159138.8 Ų138.885%0.8578%0.778SS**  trans-61.4112.9155.2-73.3-11.7000109.6
12T34.2Very low34.4Very low125 Ų125133 Ų13377%0.76776%0.757SS**  trans-125.198143.647.20000106.4G10 S14G10-T12 PolarHBondContact O-N 2.89Å; T12-S14 VanDerWaalsContact C-N 3.28Å; T12-S14 PolarHBondContact O-N 3.49Å
13E31.1Very low34.4Very low186 Ų186128.5 Ų128.587%0.86973%0.728SS**  trans-63.590.5166.5-71.7175.113900108.3K15E13-K15 PolarHBondContact O-N 3.24Å; E13-K15 VanDerWaalsContact O-N 3.07Å
14S33.3Very low34.6Very low104 Ų104120.2 Ų120.273%0.72771%0.714SS**  trans-74.986155.617.10000106.9T12 I16T12-S14 VanDerWaalsContact C-N 3.28Å; T12-S14 PolarHBondContact O-N 3.49Å; S14-I16 PolarHBondContact O-N 3.22Å
15K31.9Very low34.5Very low159 Ų159119.9 Ų119.969%0.69171%0.706SS**  trans-59.198.5164.7-173.9-169.8-176.8-160.40107.3E13 E17E13-K15 PolarHBondContact O-N 3.24Å; E13-K15 VanDerWaalsContact O-N 3.07Å; K15-E17 VanDerWaalsContact C-N 3.32Å; K15-E17 HydrophobicContact CD-CG 4.02Å; K15-E17 WeakPolarHBondContact CE-OE1 3.2Å; K15-E17 HydrophobicContact CG-CG 4.2Å; K15-E17 IonicContact NZ-OE1 3.6Å; K15-E17 PolarHBondContact NZ-OE1 3.02Å; K15-E17 PolarHBondContact O-N 3.36Å
16I35.9Very low34.8Very low137 Ų137124.9 Ų124.970%0.70371%0.711SS**  trans-7297.1164.5-60170.8000105.2S14 L18S14-I16 PolarHBondContact O-N 3.22Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 HydrophobicContact CG2-CG 4.38Å; I16-L18 PolarHBondContact O-N 3.33Å
17E33.6Very low35Very low129 Ų129125 Ų12560%0.60371%0.712SS**  trans-67.796.8164.9-84.5-176.3162.900107.8K15 T19K15-E17 VanDerWaalsContact C-N 3.32Å; K15-E17 HydrophobicContact CD-CG 4.02Å; K15-E17 WeakPolarHBondContact CE-OE1 3.2Å; K15-E17 HydrophobicContact CG-CG 4.2Å; K15-E17 IonicContact NZ-OE1 3.6Å; K15-E17 PolarHBondContact NZ-OE1 3.02Å; K15-E17 PolarHBondContact O-N 3.36Å; E17-T19 PolarHBondContact O-N 3.39Å
18L37.2Very low35.2Very low99 Ų99123.7 Ų123.752%0.51871%0.708SS.*  trans-69.271.2161.7-81.2153000108I16 E20 M21 F120I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 HydrophobicContact CG2-CG 4.38Å; I16-L18 PolarHBondContact O-N 3.33Å; L18-E20 PolarHBondContact O-N 3.33Å; L18-M21 HydrophobicContact CD2-CE 4.13Å; L18-F120 HydrophobicContact CD1-CE2 4.02Å; L18-F120 HydrophobicContact CD1-CZ 4.11Å
19T34.1Very low35.4Very low96 Ų96127.7 Ų127.759%0.58971%0.714SS**  trans-81.5108.3172.9-41.90000107.6E17 M21E17-T19 PolarHBondContact O-N 3.39Å; T19-M21 PolarHBondContact O-N 3.14Å
20E39.9Very low35.5Very low175 Ų175127.4 Ų127.482%0.81871%0.712SS**  trans43.369.1163-66.3179.8161.200116.2L18 T22L18-E20 PolarHBondContact O-N 3.33Å; E20-T22 PolarHBondContact O-N 2.82Å
21M35.5Very low35.6Very low112 Ų112131.9 Ų131.955%0.55272%0.72SS**  trans-92.686.3159.6-76.9-176.1-123.300109.2L18 T19 F152L18-M21 HydrophobicContact CD2-CE 4.13Å; T19-M21 PolarHBondContact O-N 3.14Å; M21-F152 HydrophobicContact CB-CE1 4.49Å; M21-F152 HydrophobicContact SD-CE1 4.47Å
22T36.3Very low36.1Very low120 Ų120132.9 Ų132.974%0.73672%0.719SS**  trans-81.1125.9168.642.60000109.7E20 A24E20-T22 PolarHBondContact O-N 2.82Å; T22-A24 PolarHBondContact O-N 3.31Å
23C36.7Very low35.9Very low34 Ų34131.8 Ų131.823%0.2372%0.717CS.*  trans-62.7105.9168.7-630000106.5N25 E148 C150C23-N25 PolarHBondContact O-N 3.25Å; C23-N25 VanDerWaalsContact O-N 3.14Å; C23-E148 WeakPolarHBondContact CB-OE2 3.36Å; C23-C150 WeakPolarHBondContact CB-SG 3.36Å; C23-C150 WeakPolarHBondContact SG-CB 3.2Å; C23-C150 CovalentContact SG-SG 2.11Å; C23-C150 PolarHBondContact SG-SG 3.49Å
24A41.1Very low35.9Very low77 Ų77130 Ų13064%0.63671%0.713SS**  trans-80.494-175.100000109.7T22 E26T22-A24 PolarHBondContact O-N 3.31Å; A24-E26 PolarHBondContact O-N 3.2Å
25N35.2Very low35.8Very low129 Ų129133 Ų13369%0.6972%0.719SS**  trans-85.889.4163-87-32.2000108.6C23 E148C23-N25 PolarHBondContact O-N 3.25Å; C23-N25 VanDerWaalsContact O-N 3.14Å; N25-E148 PolarHBondContact ND2-OE1 3.4Å; N25-E148 PolarHBondContact ND2-OE2 3.32Å
26E42.8Very low35.9Very low178 Ų178130.3 Ų130.383%0.83272%0.716SS**  trans-123.1121.1162.5-70.4-167.414900109.2A24 A28A24-E26 PolarHBondContact O-N 3.2Å; E26-A28 PolarHBondContact O-N 3.32Å
27D37.2Very low35.8Very low180 Ų180131.2 Ų131.296%0.96372%0.717SS**  trans-55.1102.8174.6-61.7-57.3000110.3
28A41.5Very low35.8Very low87 Ų87134.7 Ų134.772%0.71973%0.734SS**  trans-122.391.1174.300000110.4E26 C30E26-A28 PolarHBondContact O-N 3.32Å; A28-C30 PolarHBondContact O-N 2.96Å
29E33.3Very low35.4Very low198 Ų198135.1 Ų135.193%0.92574%0.741SS**  trans-56.2111.4156.8-75.2-179.2132.900108.9
30C36.4Very low35.2Very low121 Ų121135.8 Ų135.882%0.81874%0.744SS**  trans-144.197.7163.2-86.70000110A28A28-C30 PolarHBondContact O-N 2.96Å
31N32.5Very low34.9Very low165 Ų165135 Ų13588%0.88274%0.738SS**  trans-57.7135.5154.2-102.9-21.3000109.7
32E38.7Very low34.7Very low179 Ų179135.7 Ų135.784%0.83675%0.749SS**  trans145.3109.2138.4-79.9-172.4155.800111.1
33S30.2Very low35Very low102 Ų102136.9 Ų136.971%0.71375%0.746SS**  trans11.3109.5146.5510000116.7
34N31.9Very low35Very low150 Ų150144 Ų14480%0.80278%0.776SS**  trans-161.5129.9137.1-97.7-38.1000111.7V36N34-V36 PolarHBondContact O-N 2.79Å
35I30.6Very low35.3Very low166 Ų166144.8 Ų144.885%0.85177%0.769SS**  trans-53118.2165.2-70157.1000107.4
36V33.1Very low35.4Very low102 Ų102145.6 Ų145.662%0.61877%0.774SS**  trans-117.8113.2173.1179.60000108.1N34 Q38N34-V36 PolarHBondContact O-N 2.79Å; V36-Q38 PolarHBondContact O-N 2.66Å
37E33.8Very low35.3Very low157 Ų157146.7 Ų146.773%0.73478%0.778SS**  trans-52.2124.1173.8-70.4174.5128.900111T39E37-T39 VanDerWaalsContact C-N 3.32Å; E37-T39 HydrophobicContact CB-CG2 4.35Å; E37-T39 PolarHBondContact O-N 3.12Å
38Q33.3Very low35.7Very low202 Ų202145.9 Ų145.994%0.94477%0.769SS**  trans-6396.8159.8-83.6177.6-29.300108V36V36-Q38 PolarHBondContact O-N 2.66Å
39T29.3Very low35.7Very low108 Ų108151.6 Ų151.666%0.66378%0.78SS**  trans-97.7146.3169.837.50000109.1E37E37-T39 VanDerWaalsContact C-N 3.32Å; E37-T39 HydrophobicContact CB-CG2 4.35Å; E37-T39 PolarHBondContact O-N 3.12Å
40V30Very low36.4Very low109 Ų109146.8 Ų146.866%0.66177%0.765SS**SBendtrans89.561.9170.4-157.10000116.2
41F33.5Very low36.6Very low158 Ų158143.7 Ų143.769%0.69375%0.753SS**  -170.555.4125.4-100.7-72.3000108.1E43F41-E43 PolarHBondContact O-N 3.23Å
42T31.8Very low37.3Very low128 Ų128142.5 Ų142.579%0.78575%0.752SS**  trans-93.276.5166.925.60000108.3
43E42.4Very low37.7Very low144 Ų144138.1 Ų138.167%0.67375%0.746SS**  trans-70.4120.2136.3-81.8-167.5146.300104.6F41 L45F41-E43 PolarHBondContact O-N 3.23Å; E43-L45 PolarHBondContact O-N 2.95Å
44E35.8Very low39Very low184 Ų184140.4 Ų140.486%0.8675%0.75SS**  trans-46.497.7174.6-67.8173.3139.300109.7
45L48.2Very low40.5Very low93 Ų93137 Ų13749%0.48773%0.732SS.*  trans-94.198.3166.7-93.8161.2000105.1E43 H47E43-L45 PolarHBondContact O-N 2.95Å; L45-H47 PolarHBondContact O-N 3.2Å; L45-H47 VanDerWaalsContact O-N 3.12Å
46D38.1Very low42.2Very low147 Ų147134.8 Ų134.879%0.78672%0.716SS**  trans-42119.6172.2-66.9-44.4000109.9E48D46-E48 PolarHBondContact O-N 3.16Å
47H40.1Very low43.4Very low200 Ų200130.1 Ų130.193%0.92669%0.688SS**  trans-68.782174.2-85-69.8000109.4L45L45-H47 PolarHBondContact O-N 3.2Å; L45-H47 VanDerWaalsContact O-N 3.12Å
48E45Very low44.9Very low164 Ų164130 Ų13077%0.76669%0.688SS**  trans-86.8116.6153.6-76.2-164.7131.100108.5D46 V50D46-E48 PolarHBondContact O-N 3.16Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 HydrophobicContact CB-CG2 4.07Å; E48-V50 PolarHBondContact O-N 2.98Å
49E42Very low46.3Very low206 Ų206122.3 Ų122.396%0.96365%0.65SS**  trans-58.495.8164.2-79.3-173.5141.400108.8
50V48.4Very low47.5Very low98 Ų98117.8 Ų117.859%0.59462%0.623SS**  trans-105.7116.8175-1800000108.7E48E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 HydrophobicContact CB-CG2 4.07Å; E48-V50 PolarHBondContact O-N 2.98Å
51G40.4Very low48.6Very low56 Ų56116.6 Ų116.658%0.57762%0.619SS**  trans-51.7145.3176.900000112.5A53G51-A53 PolarHBondContact O-N 3.46Å
52T46.5Very low49.4Very low139 Ų139116.6 Ų116.685%0.85362%0.619SS**SBendtrans-67.723.1-174.542.70000115.3
53A46.7Very low49.9Very low88 Ų88115.5 Ų115.573%0.72760%0.6SS**SBendtrans-99.9105.7179.600000110.9G51G51-A53 PolarHBondContact O-N 3.46Å
54D58Low49.7Very low149 Ų149119.7 Ų119.780%0.79761%0.612SS**  trans61.859.3157.6-126.9-0.2000116.8K56D54-K56 PolarHBondContact O-N 3.35Å
55L62.8Low49.6Very low80 Ų80113.8 Ų113.842%0.41960%0.6SS.*  trans-69.190.6168.9-79.4163.3000110.5Y83L55-Y83 HydrophobicContact CB-CE2 4.48Å; L55-Y83 VanDerWaalsContact O-CE2 3.3Å; L55-Y83 WeakPolarHBondContact O-CE2 3.1Å; L55-Y83 PolarHBondContact O-OH 3.49Å
56K66.9Low48.7Very low119 Ų119116.5 Ų116.552%0.51762%0.615SS.*  trans-85131.5168.8-175.9169.4-177.5177.20109.9D54 E58 S60D54-K56 PolarHBondContact O-N 3.35Å; K56-E58 PolarHBondContact O-N 3.28Å; K56-S60 WeakPolarHBondContact CE-OG 2.98Å; K56-S60 WeakPolarHBondContact CG-OG 3.37Å
57P57.9Low48.8Very low4 Ų4118.4 Ų118.43%0.02662%0.619CS.*  trans-61132.3179.6-4.29.4000110.5W59 S60 Y83P57-W59 HydrophobicContact CB-CD2 4.27Å; P57-W59 HydrophobicContact CB-CG 4.21Å; P57-W59 HydrophobicContact CB-CZ2 4.32Å; P57-W59 PolarHBondContact O-N 3.1Å; P57-W59 VanDerWaalsContact O-N 3.08Å; P57-S60 VanDerWaalsContact O-CB 3.3Å; P57-S60 WeakPolarHBondContact O-CB 3.38Å; P57-S60 PolarHBondContact O-N 3.16Å; P57-S60 PolarHBondContact O-OG 2.98Å; P57-Y83 HydrophobicContact CB-CD2 3.92Å; P57-Y83 HydrophobicContact CB-CE2 4.05Å; P57-Y83 HydrophobicContact CB-CG 4.43Å; P57-Y83 HydrophobicContact CG-CD2 4.03Å; P57-Y83 HydrophobicContact CG-CE1 4.38Å; P57-Y83 HydrophobicContact CG-CE2 3.72Å; P57-Y83 HydrophobicContact CG-CG 4.48Å
58E65.4Low48.6Very low155 Ų155116.1 Ų116.172%0.72462%0.619SS**G310 helixtrans-54.4-35.8-177.4-166.7-163.6140.600112.4K56 S60 K62K56-E58 PolarHBondContact O-N 3.28Å; E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.36Å; E58-K62 IonicContact OE1-NZ 3.49Å
59W62.9Low48.2Very low39 Ų39111.2 Ų111.215%0.14861%0.612CS.*G310 helixtrans-73.6-19178.555.3-79.5000114P57 S61 K62 P75 V80 L109 Y128P57-W59 HydrophobicContact CB-CD2 4.27Å; P57-W59 HydrophobicContact CB-CG 4.21Å; P57-W59 HydrophobicContact CB-CZ2 4.32Å; P57-W59 PolarHBondContact O-N 3.1Å; P57-W59 VanDerWaalsContact O-N 3.08Å; W59-S61 VanDerWaalsContact C-N 3.29Å; W59-S61 PolarHBondContact O-N 2.86Å; W59-K62 PolarHBondContact O-N 2.87Å; W59-P75 HydrophobicContact CD2-CB 3.54Å; W59-P75 HydrophobicContact CD2-CG 4.16Å; W59-P75 HydrophobicContact CE3-CB 3.51Å; W59-P75 HydrophobicContact CE3-CG 3.76Å; W59-P75 HydrophobicContact CG-CB 4.17Å; W59-P75 HydrophobicContact CH2-CB 3.99Å; W59-P75 HydrophobicContact CH2-CG 3.5Å; W59-P75 HydrophobicContact CZ2-CB 3.98Å; W59-P75 HydrophobicContact CZ2-CG 3.88Å; W59-P75 HydrophobicContact CZ3-CB 3.77Å; W59-P75 HydrophobicContact CZ3-CG 3.44Å; W59-P75 VanDerWaalsContact CZ3-CG 3.44Å; W59-V80 HydrophobicContact CH2-CG2 4.36Å; W59-V80 HydrophobicContact CZ2-CG2 3.95Å; W59-L109 HydrophobicContact CH2-CD2 4.37Å; W59-L109 HydrophobicContact CZ2-CD2 4.07Å; W59-Y128 AromaticContact CH2-CE2 3.65Å; W59-Y128 HydrophobicContact CH2-CE2 3.65Å; W59-Y128 AromaticContact CH2-CZ 3.71Å; W59-Y128 WeakPolarHBondContact CH2-OH 3.22Å; W59-Y128 HydrophobicContact CZ3-CE2 4.1Å; W59-Y128 AromaticContact CZ3-CZ 3.72Å; W59-Y128 WeakPolarHBondContact CZ3-OH 3.3Å
60S55.2Low48Very low13 Ų13110.4 Ų110.49%0.09161%0.608CS.*G310 helixtrans-70.2-26177.472.10000112.4K56 P57 E58 K62K56-S60 WeakPolarHBondContact CE-OG 2.98Å; K56-S60 WeakPolarHBondContact CG-OG 3.37Å; P57-S60 VanDerWaalsContact O-CB 3.3Å; P57-S60 WeakPolarHBondContact O-CB 3.38Å; P57-S60 PolarHBondContact O-N 3.16Å; P57-S60 PolarHBondContact O-OG 2.98Å; E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.36Å; S60-K62 VanDerWaalsContact C-N 3.33Å
61S53.3Low47.5Very low85 Ų85111.6 Ų111.659%0.59461%0.611SS**G310 helixtrans-76.5-18.2176-66.80000113.3W59W59-S61 VanDerWaalsContact C-N 3.29Å; W59-S61 PolarHBondContact O-N 2.86Å
62K49Very low47.7Very low158 Ų158114.2 Ų114.269%0.68763%0.627SS**G310 helixtrans-86-4.5-178.1-72.8178-179.2163.20114.3E58 W59 S60E58-K62 IonicContact OE1-NZ 3.49Å; W59-K62 PolarHBondContact O-N 2.87Å; S60-K62 VanDerWaalsContact C-N 3.33Å
63R43.8Very low48.4Very low104 Ų104115 Ų11539%0.39262%0.621SS.*THydrogen-bonded Turntrans-94.45.8-165.9-86-161-168.7164.311.5119.1Y128R63-Y128 PolarHBondContact NH1-OH 3.14Å; R63-Y128 VanDerWaalsContact NH1-OH 3.13Å
64Y37.2Very low49.4Very low232 Ų232112.4 Ų112.491%0.9160%0.603SS**THydrogen-bonded Turntrans-127.712.8173.6-74.8-81.6000114.4
65G34Very low50.4Low60 Ų60106 Ų10662%0.61957%0.569SS**SBendtrans-90109.1170.100000111.1H67G65-H67 PolarHBondContact O-N 3.05Å
66N30.2Very low51.6Low151 Ų151106.6 Ų106.681%0.80757%0.57SS**  trans-33.9105.6171.8-84.7-26.9000114.3
67H39.1Very low52.7Low187 Ų187103 Ų10387%0.86655%0.554SS**  trans-140101.3150.2-88-65000110.3G65 G69G65-H67 PolarHBondContact O-N 3.05Å; H67-G69 PolarHBondContact O-N 3.14Å
68V35.3Very low54.3Low152 Ų152104.8 Ų104.892%0.92157%0.567SS**  trans-66.6106.7162.2177.30000107
69G36.9Very low55.6Low60 Ų60100.7 Ų100.762%0.61955%0.55SS*.SBendtrans166.8100.7176.600000113.4H67 N71H67-G69 PolarHBondContact O-N 3.14Å; G69-N71 PolarHBondContact O-N 3.11Å
70H37.5Very low57.1Low190 Ų19098.9 Ų98.988%0.8854%0.543SS*.SBendtrans16.591.4155-81-81.6000117.7
71N39Very low59Low123 Ų12399.5 Ų99.566%0.65855%0.545SS*.  trans142.273.2154-72.1-17.4000107.7G69 H73G69-N71 PolarHBondContact O-N 3.11Å; N71-H73 PolarHBondContact O-N 2.03Å
72A45Very low60.9Low111 Ų111100 Ų10092%0.91754%0.537SS*.  trans-70.870.4168.700000108.6G74A72-G74 PolarHBondContact O-N 3.1Å; A72-G74 VanDerWaalsContact O-N 3.16Å
73H60.6Low63.1Low154 Ų15494 Ų9471%0.71351%0.51SS*.  trans-69.8109.2170.3-72.5-25.6000106.8N71N71-H73 PolarHBondContact O-N 2.03Å
74G66.8Low65.6Low34 Ų3489.4 Ų89.435%0.35149%0.493SS..PPolyproline II helixtrans-51.5171.6157.100000110.5A72A72-G74 PolarHBondContact O-N 3.1Å; A72-G74 VanDerWaalsContact O-N 3.16Å
75P79.7Confident68.4Low14 Ų1479.6 Ų79.69%0.09146%0.46CS..PPolyproline II helixtrans-61.6155177.938.3-27.1000108.9W59 V80 Y128W59-P75 HydrophobicContact CD2-CB 3.54Å; W59-P75 HydrophobicContact CD2-CG 4.16Å; W59-P75 HydrophobicContact CE3-CB 3.51Å; W59-P75 HydrophobicContact CE3-CG 3.76Å; W59-P75 HydrophobicContact CG-CB 4.17Å; W59-P75 HydrophobicContact CH2-CB 3.99Å; W59-P75 HydrophobicContact CH2-CG 3.5Å; W59-P75 HydrophobicContact CZ2-CB 3.98Å; W59-P75 HydrophobicContact CZ2-CG 3.88Å; W59-P75 HydrophobicContact CZ3-CB 3.77Å; W59-P75 HydrophobicContact CZ3-CG 3.44Å; W59-P75 VanDerWaalsContact CZ3-CG 3.44Å; P75-V80 HydrophobicContact CB-CG2 4.04Å; P75-V80 HydrophobicContact CG-CG2 3.53Å; P75-Y128 VanDerWaalsContact CD-CE2 3.49Å; P75-Y128 VanDerWaalsContact CD-CZ 3.43Å; P75-Y128 HydrophobicContact CG-CD1 4.05Å; P75-Y128 HydrophobicContact CG-CD2 3.24Å; P75-Y128 HydrophobicContact CG-CE1 3.97Å; P75-Y128 HydrophobicContact CG-CE2 3.16Å; P75-Y128 HydrophobicContact CG-CG 3.7Å
76H87.2Confident71.3Confident94 Ų9482.7 Ų82.744%0.43546%0.457SS..PPolyproline II helixtrans-70146.8172.7-161.8-104.8000109.4S78 D79 V80 K130H76-S78 PolarHBondContact ND1-N 3.36Å; H76-S78 PolarHBondContact ND1-OG 2.82Å; H76-S78 PolarHBondContact O-N 2.65Å; H76-S78 VanDerWaalsContact O-N 3.12Å; H76-D79 VanDerWaalsContact CB-OD2 3.31Å; H76-D79 WeakPolarHBondContact CB-OD2 3.27Å; H76-D79 PolarHBondContact N-OD2 3.07Å; H76-D79 WeakPolarHBondContact O-CB 3.27Å; H76-D79 PolarHBondContact O-N 3.03Å; H76-V80 PolarHBondContact O-N 3.19Å; H76-K130 PolarHBondContact NE2-NZ 3.49Å
77K90.7Very high74.4Confident43 Ų4375.8 Ų75.819%0.18742%0.42CS..Hα-helixtrans-48.2-41.1174.5164.4-178.8156.4-179.70111.4D79 V80 L81 A127 K130 A131 V132 S156K77-D79 VanDerWaalsContact C-N 3.33Å; K77-D79 PolarHBondContact O-N 3.23Å; K77-V80 PolarHBondContact O-N 3.33Å; K77-L81 HydrophobicContact CG-CD1 3.9Å; K77-L81 HydrophobicContact CG-CG 4.39Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 3.41Å; K77-A127 HydrophobicContact CB-CB 4.42Å; K77-A127 HydrophobicContact CG-CB 4.35Å; K77-K130 HydrophobicContact CB-CB 4.18Å; K77-K130 HydrophobicContact CB-CD 3.94Å; K77-K130 HydrophobicContact CD-CB 3.98Å; K77-A131 PolarHBondContact NZ-O 2.82Å; K77-V132 HydrophobicContact CD-CG2 4.16Å; K77-V132 HydrophobicContact CG-CG2 4.17Å; K77-S156 PolarHBondContact NZ-OG 3.06Å
78S91.3Very high77.1Confident42 Ų4268.7 Ų68.729%0.29439%0.39SS..Hα-helixtrans-61.2-37.7177.5560000113.3H76 L81 K82H76-S78 PolarHBondContact ND1-N 3.36Å; H76-S78 PolarHBondContact ND1-OG 2.82Å; H76-S78 PolarHBondContact O-N 2.65Å; H76-S78 VanDerWaalsContact O-N 3.12Å; S78-L81 PolarHBondContact O-N 3.32Å; S78-K82 WeakPolarHBondContact O-CB 3.17Å; S78-K82 VanDerWaalsContact O-CG 3.24Å; S78-K82 WeakPolarHBondContact O-CG 3.46Å; S78-K82 PolarHBondContact O-N 3.14Å
79D93Very high80.1Confident69 Ų6965.1 Ų65.137%0.36936%0.363SS..Hα-helixtrans-70.9-38.2-177.1-53-29000110.4H76 K77 Y83H76-D79 VanDerWaalsContact CB-OD2 3.31Å; H76-D79 WeakPolarHBondContact CB-OD2 3.27Å; H76-D79 PolarHBondContact N-OD2 3.07Å; H76-D79 WeakPolarHBondContact O-CB 3.27Å; H76-D79 PolarHBondContact O-N 3.03Å; K77-D79 VanDerWaalsContact C-N 3.33Å; K77-D79 PolarHBondContact O-N 3.23Å; D79-Y83 WeakPolarHBondContact O-CB 2.92Å; D79-Y83 PolarHBondContact O-N 3.46Å
80V94.1Very high83Confident0 Ų062.4 Ų62.40%034%0.335CS..Hα-helixtrans-64.1-46.8172.9-179.70000110.4W59 P75 H76 K77 K82 Y83 I84 L109 L110 A127 Y128W59-V80 HydrophobicContact CH2-CG2 4.36Å; W59-V80 HydrophobicContact CZ2-CG2 3.95Å; P75-V80 HydrophobicContact CB-CG2 4.04Å; P75-V80 HydrophobicContact CG-CG2 3.53Å; H76-V80 PolarHBondContact O-N 3.19Å; K77-V80 PolarHBondContact O-N 3.33Å; V80-K82 PolarHBondContact O-N 3.2Å; V80-Y83 WeakPolarHBondContact O-CB 3.38Å; V80-Y83 PolarHBondContact O-N 3.26Å; V80-I84 HydrophobicContact CG1-CD1 3.91Å; V80-I84 HydrophobicContact CG1-CG1 4.5Å; V80-I84 WeakPolarHBondContact O-CG1 3.23Å; V80-I84 PolarHBondContact O-N 2.97Å; V80-L109 HydrophobicContact CG1-CB 4.09Å; V80-L109 WeakPolarHBondContact CG1-O 3.29Å; V80-L110 HydrophobicContact CG1-CD2 4.28Å; V80-A127 HydrophobicContact CB-CB 4.19Å; V80-A127 HydrophobicContact CG1-CB 4.1Å; V80-A127 HydrophobicContact CG2-CB 4.45Å; V80-Y128 HydrophobicContact CG2-CD2 3.9Å; V80-Y128 HydrophobicContact CG2-CE2 3.99Å
81L94.5Very high85.8Confident27 Ų2756.7 Ų56.714%0.14131%0.305CS..Hα-helixtrans-65.3-39.4179.3-69.6176.4000112.4K77 S78 Y83 I84 A85 V132 L250 L254K77-L81 HydrophobicContact CG-CD1 3.9Å; K77-L81 HydrophobicContact CG-CG 4.39Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 3.41Å; S78-L81 PolarHBondContact O-N 3.32Å; L81-Y83 VanDerWaalsContact C-N 3.31Å; L81-Y83 PolarHBondContact O-N 3.31Å; L81-I84 PolarHBondContact O-N 2.79Å; L81-A85 WeakPolarHBondContact O-CB 3.31Å; L81-A85 PolarHBondContact O-N 3.24Å; L81-V132 HydrophobicContact CD1-CG1 4.37Å; L81-V132 HydrophobicContact CD2-CG1 3.65Å; L81-V132 HydrophobicContact CD2-CG2 4.22Å; L81-L250 HydrophobicContact CB-CD2 4.08Å; L81-L250 HydrophobicContact CD2-CD1 4.36Å; L81-L250 HydrophobicContact CD2-CD2 4.48Å; L81-L254 HydrophobicContact CD2-CD1 4.48Å
82K94.7Very high88.4Confident95 Ų9551.6 Ų51.641%0.41328%0.278SS..Hα-helixtrans-61.9-39.8172.3-75.8176-178.5-172.40111.6S78 V80 K86S78-K82 WeakPolarHBondContact O-CB 3.17Å; S78-K82 VanDerWaalsContact O-CG 3.24Å; S78-K82 WeakPolarHBondContact O-CG 3.46Å; S78-K82 PolarHBondContact O-N 3.14Å; V80-K82 PolarHBondContact O-N 3.2Å; K82-K86 WeakPolarHBondContact O-CG 3.06Å; K82-K86 PolarHBondContact O-N 3.1Å
83Y95.2Very high90.7Very high31 Ų3149.5 Ų49.512%0.12225%0.248CC..Hα-helixtrans-63.4-47173.6-178.9-99.1000111.6L55 P57 D79 V80 L81 A85 K86 A87 F90 D103 L109L55-Y83 HydrophobicContact CB-CE2 4.48Å; L55-Y83 VanDerWaalsContact O-CE2 3.3Å; L55-Y83 WeakPolarHBondContact O-CE2 3.1Å; L55-Y83 PolarHBondContact O-OH 3.49Å; P57-Y83 HydrophobicContact CB-CD2 3.92Å; P57-Y83 HydrophobicContact CB-CE2 4.05Å; P57-Y83 HydrophobicContact CB-CG 4.43Å; P57-Y83 HydrophobicContact CG-CD2 4.03Å; P57-Y83 HydrophobicContact CG-CE1 4.38Å; P57-Y83 HydrophobicContact CG-CE2 3.72Å; P57-Y83 HydrophobicContact CG-CG 4.48Å; D79-Y83 WeakPolarHBondContact O-CB 2.92Å; D79-Y83 PolarHBondContact O-N 3.46Å; V80-Y83 WeakPolarHBondContact O-CB 3.38Å; V80-Y83 PolarHBondContact O-N 3.26Å; L81-Y83 VanDerWaalsContact C-N 3.31Å; L81-Y83 PolarHBondContact O-N 3.31Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 3.29Å; Y83-K86 PolarHBondContact O-N 2.75Å; Y83-K86 VanDerWaalsContact O-N 3.14Å; Y83-A87 HydrophobicContact CD1-CB 4.33Å; Y83-A87 HydrophobicContact CE1-CB 3.89Å; Y83-A87 HydrophobicContact CE2-CB 4.39Å; Y83-A87 WeakPolarHBondContact O-CB 3.27Å; Y83-A87 PolarHBondContact O-N 2.74Å; Y83-F90 HydrophobicContact CD1-CE1 4.45Å; Y83-F90 HydrophobicContact CE1-CE1 4.19Å; Y83-D103 HydrophobicContact CE1-CB 3.97Å; Y83-D103 WeakPolarHBondContact OH-CB 3.41Å; Y83-L109 HydrophobicContact CD1-CD1 3.91Å; Y83-L109 HydrophobicContact CD1-CD2 3.85Å; Y83-L109 HydrophobicContact CE1-CD1 3.78Å; Y83-L109 HydrophobicContact CE1-CD2 4.08Å
84I95.5Very high92.1Very high8 Ų846.8 Ų46.84%0.04125%0.246CC..Hα-helixtrans-62.2-39.2178.4-68.1168.4000111.5V80 L81 K86 F90 L109 L110 L250 K253V80-I84 HydrophobicContact CG1-CD1 3.91Å; V80-I84 HydrophobicContact CG1-CG1 4.5Å; V80-I84 WeakPolarHBondContact O-CG1 3.23Å; V80-I84 PolarHBondContact O-N 2.97Å; L81-I84 PolarHBondContact O-N 2.79Å; I84-K86 VanDerWaalsContact C-N 3.25Å; I84-K86 PolarHBondContact O-N 3.33Å; I84-F90 HydrophobicContact CB-CE1 4.49Å; I84-F90 HydrophobicContact CB-CZ 4.23Å; I84-F90 HydrophobicContact CG1-CE1 4.09Å; I84-F90 HydrophobicContact CG1-CZ 4.3Å; I84-F90 HydrophobicContact CG2-CE2 4.5Å; I84-F90 HydrophobicContact CG2-CZ 4.03Å; I84-L109 HydrophobicContact CG1-CD1 4.47Å; I84-L110 HydrophobicContact CD1-CD1 3.67Å; I84-L110 HydrophobicContact CD1-CD2 3.89Å; I84-L110 HydrophobicContact CD1-CG 3.74Å; I84-L250 HydrophobicContact CB-CD1 4.11Å; I84-L250 HydrophobicContact CG2-CD1 3.72Å; I84-K253 HydrophobicContact CG2-CD 4.42Å; I84-K253 WeakPolarHBondContact O-CD 3.28Å; I84-K253 PolarHBondContact O-NZ 3.16Å
85A95.3Very high93.1Very high27 Ų2748.6 Ų48.622%0.22325%0.251CS..Hα-helixtrans-58-40176.200000111.5L81 Y83 L250 K253L81-A85 WeakPolarHBondContact O-CB 3.31Å; L81-A85 PolarHBondContact O-N 3.24Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 3.29Å; A85-L250 HydrophobicContact CB-CB 4.1Å; A85-L250 HydrophobicContact CB-CD1 4.35Å; A85-K253 PolarHBondContact O-NZ 2.76Å
86K95.6Very high93.4Very high125 Ų12551.9 Ų51.954%0.54329%0.287SS..Hα-helixtrans-85.6-44.1-177.9-66.2-176.8178.8-167.70114.1K82 Y83 I84K82-K86 WeakPolarHBondContact O-CG 3.06Å; K82-K86 PolarHBondContact O-N 3.1Å; Y83-K86 PolarHBondContact O-N 2.75Å; Y83-K86 VanDerWaalsContact O-N 3.14Å; I84-K86 VanDerWaalsContact C-N 3.25Å; I84-K86 PolarHBondContact O-N 3.33Å
87A95.7Very high93.3Very high5 Ų552.3 Ų52.34%0.04130%0.301CS..  trans-69.8143.3-176.300000111.4Y83 F90 K253Y83-A87 HydrophobicContact CD1-CB 4.33Å; Y83-A87 HydrophobicContact CE1-CB 3.89Å; Y83-A87 HydrophobicContact CE2-CB 4.39Å; Y83-A87 WeakPolarHBondContact O-CB 3.27Å; Y83-A87 PolarHBondContact O-N 2.74Å; A87-F90 HydrophobicContact CB-CE1 3.72Å; A87-F90 HydrophobicContact CB-CZ 3.64Å; A87-F90 WeakPolarHBondContact O-CZ 3.48Å; A87-K253 PolarHBondContact O-NZ 2.76Å
88T96.6Very high93.3Very high38 Ų3853.4 Ų53.423%0.23331%0.308CS..  trans-104.9-9.6-17954.20000113K243 Y244 A246T88-K243 CarbonylContact O-C 3.54Å; T88-K243 WeakPolarHBondContact O-CA 3.23Å; T88-Y244 PolarHBondContact O-N 2.95Å; T88-A246 HydrophobicContact CG2-CB 4.17Å
89Q97.3Very high93.4Very high77 Ų7751.9 Ų51.936%0.3630%0.297SS..EExtended strand (participates in β ladder)trans-134.6136.6-176.5-58.8-172.335.100111.3L104 L242 K243Q89-L104 HydrophobicContact CB-CD1 3.97Å; Q89-L104 HydrophobicContact CB-CD2 4.15Å; Q89-L104 HydrophobicContact CB-CG 4.18Å; Q89-L242 CarbonylContact C-O 3.59Å; Q89-L242 VanDerWaalsContact CA-O 3.29Å; Q89-L242 WeakPolarHBondContact CA-O 3.46Å; Q89-K243 HydrophobicContact CG-CG 4.17Å
90F97.4Very high93.6Very high4 Ų450 Ų502%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-139.8163.3178.3-52.3-77000109.3Y83 I84 A87 V101 T102 L109 I241 L242 Y244Y83-F90 HydrophobicContact CD1-CE1 4.45Å; Y83-F90 HydrophobicContact CE1-CE1 4.19Å; I84-F90 HydrophobicContact CB-CE1 4.49Å; I84-F90 HydrophobicContact CB-CZ 4.23Å; I84-F90 HydrophobicContact CG1-CE1 4.09Å; I84-F90 HydrophobicContact CG1-CZ 4.3Å; I84-F90 HydrophobicContact CG2-CE2 4.5Å; I84-F90 HydrophobicContact CG2-CZ 4.03Å; A87-F90 HydrophobicContact CB-CE1 3.72Å; A87-F90 HydrophobicContact CB-CZ 3.64Å; A87-F90 WeakPolarHBondContact O-CZ 3.48Å; F90-V101 HydrophobicContact CB-CG1 3.8Å; F90-V101 HydrophobicContact CG-CG1 4.27Å; F90-T102 CarbonylContact C-O 3.56Å; F90-T102 WeakPolarHBondContact CA-O 3.45Å; F90-T102 WeakPolarHBondContact CB-O 3.29Å; F90-L109 HydrophobicContact CD1-CD1 3.58Å; F90-L109 HydrophobicContact CE1-CD1 3.81Å; F90-I241 CarbonylContact O-C 3.47Å; F90-I241 WeakPolarHBondContact O-CA 3.35Å; F90-L242 HydrophobicContact CB-CB 4.46Å; F90-L242 PolarHBondContact N-O 3.27Å; F90-L242 PolarHBondContact O-N 3.07Å; F90-Y244 AromaticContact CD2-CD2 3.85Å; F90-Y244 HydrophobicContact CD2-CD2 3.85Å; F90-Y244 AromaticContact CD2-CE2 3.7Å; F90-Y244 HydrophobicContact CD2-CE2 3.7Å; F90-Y244 AromaticContact CE2-CD2 3.68Å; F90-Y244 HydrophobicContact CE2-CD2 3.68Å; F90-Y244 AromaticContact CE2-CE2 3.74Å; F90-Y244 HydrophobicContact CE2-CE2 3.74Å
91R95.9Very high93.7Very high69 Ų6950.2 Ų50.226%0.2629%0.287SS..EExtended strand (participates in β ladder)trans-113.5129.8169.8-178.9-171.5-54.9-69.2-4.2109.2V101 T102 D106 G240 I241R91-V101 CarbonylContact O-C 3.59Å; R91-V101 WeakPolarHBondContact O-CA 3.45Å; R91-T102 PolarHBondContact N-O 3.49Å; R91-T102 PolarHBondContact O-N 2.78Å; R91-D106 WeakPolarHBondContact CD-OD1 3.3Å; R91-D106 IonicContact NE-OD1 3.34Å; R91-D106 PolarHBondContact NE-OD1 3.32Å; R91-G240 CarbonylContact C-O 3.55Å; R91-G240 WeakPolarHBondContact CA-O 3.46Å; R91-I241 HydrophobicContact CB-CD1 4.17Å; R91-I241 HydrophobicContact CG-CD1 4.32Å; R91-I241 VanDerWaalsContact CZ-CD1 3.46Å
92I95.2Very high93.8Very high17 Ų1748.9 Ų48.99%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-96.1128.7168.6-59-179.3000107.4I99 L236 G240 L242 L257 V261 I264I92-I99 HydrophobicContact CG2-CG2 3.59Å; I92-L236 HydrophobicContact CD1-CD1 4.07Å; I92-G240 PolarHBondContact N-O 3.2Å; I92-L242 HydrophobicContact CD1-CB 4.35Å; I92-L242 HydrophobicContact CD1-CD2 4.1Å; I92-L242 HydrophobicContact CG1-CB 4.39Å; I92-L257 HydrophobicContact CD1-CD1 3.86Å; I92-L257 HydrophobicContact CG1-CD1 4.33Å; I92-V261 HydrophobicContact CD1-CG2 4.44Å; I92-I264 HydrophobicContact CD1-CD1 4.44Å
93K92Very high93.8Very high66 Ų6644.5 Ų44.529%0.28726%0.261SS..EExtended strand (participates in β ladder)trans-137.4145.7174.760.6-179.3-174.8-173.10110.6V95 I99 Q100 T102K93-V95 HydrophobicContact CD-CG2 4.26Å; K93-V95 HydrophobicContact CG-CG2 4.09Å; K93-I99 WeakPolarHBondContact O-CA 3.4Å; K93-Q100 HydrophobicContact CG-CB 4.11Å; K93-Q100 PolarHBondContact N-O 2.87Å; K93-Q100 PolarHBondContact O-N 2.81Å; K93-T102 HydrophobicContact CD-CG2 4.28Å; K93-T102 VanDerWaalsContact CE-CG2 3.47Å
94S90.5Very high93.7Very high97 Ų9747 Ų4768%0.67828%0.276SS*.EExtended strand (participates in β ladder)trans-81.4132.4169-560000109.9D98S94-D98 CarbonylContact C-O 3.56Å; S94-D98 WeakPolarHBondContact CA-O 3.43Å
95V87.8Confident93.6Very high73 Ų7350.3 Ų50.344%0.44230%0.299SS..EExtended strand (participates in β ladder)trans-128.697.8177-176.30000108.1K93 S97 D98 Q100K93-V95 HydrophobicContact CD-CG2 4.26Å; K93-V95 HydrophobicContact CG-CG2 4.09Å; V95-S97 PolarHBondContact O-N 2.85Å; V95-D98 PolarHBondContact N-O 3.45Å; V95-D98 PolarHBondContact O-N 3.34Å; V95-D98 VanDerWaalsContact O-N 3.11Å; V95-Q100 HydrophobicContact CG2-CB 3.87Å
96G86.7Confident93.3Very high83 Ų8353 Ų5386%0.85631%0.31SS*.THydrogen-bonded Turntrans66.5-123.3-171.600000111.2
97S84.7Confident93.2Very high103 Ų10349.1 Ų49.172%0.7230%0.295SS*.THydrogen-bonded Turntrans-85.7-10.2173.450.50000114V95V95-S97 PolarHBondContact O-N 2.85Å
98D91.1Very high93Very high65 Ų6550.8 Ų50.835%0.34831%0.306SS..EExtended strand (participates in β ladder)trans-105.6166.6-167.5-54.4-8.5000109.3S94 V95 W113S94-D98 CarbonylContact C-O 3.56Å; S94-D98 WeakPolarHBondContact CA-O 3.43Å; V95-D98 PolarHBondContact N-O 3.45Å; V95-D98 PolarHBondContact O-N 3.34Å; V95-D98 VanDerWaalsContact O-N 3.11Å; D98-W113 HydrophobicContact CB-CB 4.34Å
99I93.7Very high93Very high10 Ų1049.1 Ų49.15%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-115.6133.1175.9-69.4168.6000107.9I92 K93 I112 V261 T265I92-I99 HydrophobicContact CG2-CG2 3.59Å; K93-I99 WeakPolarHBondContact O-CA 3.4Å; I99-I112 HydrophobicContact CB-CB 4.16Å; I99-I112 HydrophobicContact CG2-CD1 4.31Å; I99-I112 PolarHBondContact N-O 3.33Å; I99-I112 WeakPolarHBondContact O-CA 2.77Å; I99-I112 PolarHBondContact O-N 3.33Å; I99-V261 HydrophobicContact CD1-CG1 3.64Å; I99-V261 HydrophobicContact CG2-CG2 4.33Å; I99-T265 HydrophobicContact CD1-CG2 3.38Å
100Q95.5Very high93Very high31 Ų3145.5 Ų45.515%0.14528%0.278CS..EExtended strand (participates in β ladder)trans-116134.4176-175.616881.900109.6K93 V95 T102 P108 L110 D111K93-Q100 HydrophobicContact CG-CB 4.11Å; K93-Q100 PolarHBondContact N-O 2.87Å; K93-Q100 PolarHBondContact O-N 2.81Å; V95-Q100 HydrophobicContact CG2-CB 3.87Å; Q100-T102 HydrophobicContact CG-CG2 4.04Å; Q100-P108 HydrophobicContact CG-CB 4.39Å; Q100-L110 CarbonylContact C-O 3.54Å; Q100-L110 WeakPolarHBondContact CA-O 3.3Å; Q100-D111 WeakPolarHBondContact CG-OD1 3.05Å; Q100-D111 PolarHBondContact NE2-OD1 2.71Å
101V96.8Very high92.9Very high3 Ų348 Ų482%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-101.3124.2170.2-172.70000108.3F90 R91 L109 L110 I112 L257F90-V101 HydrophobicContact CB-CG1 3.8Å; F90-V101 HydrophobicContact CG-CG1 4.27Å; R91-V101 CarbonylContact O-C 3.59Å; R91-V101 WeakPolarHBondContact O-CA 3.45Å; V101-L109 WeakPolarHBondContact O-CB 3.44Å; V101-L109 PolarHBondContact O-N 2.98Å; V101-L110 HydrophobicContact CB-CB 4.04Å; V101-L110 HydrophobicContact CG2-CB 4.25Å; V101-L110 PolarHBondContact N-O 3.17Å; V101-L110 PolarHBondContact O-N 3.41Å; V101-L110 VanDerWaalsContact O-N 3.12Å; V101-I112 HydrophobicContact CG2-CD1 3.85Å; V101-L257 HydrophobicContact CG2-CD1 3.92Å; V101-L257 HydrophobicContact CG2-CD2 4.1Å
102T96.3Very high92.9Very high0 Ų044.7 Ų44.70%028%0.279CS..EExtended strand (participates in β ladder)trans-118.9164.4177.166.80000111.4F90 R91 K93 Q100 N107F90-T102 CarbonylContact C-O 3.56Å; F90-T102 WeakPolarHBondContact CA-O 3.45Å; F90-T102 WeakPolarHBondContact CB-O 3.29Å; R91-T102 PolarHBondContact N-O 3.49Å; R91-T102 PolarHBondContact O-N 2.78Å; K93-T102 HydrophobicContact CD-CG2 4.28Å; K93-T102 VanDerWaalsContact CE-CG2 3.47Å; Q100-T102 HydrophobicContact CG-CG2 4.04Å; T102-N107 WeakPolarHBondContact CA-O 3.27Å; T102-N107 WeakPolarHBondContact CB-O 3.24Å
103D95Very high92.9Very high2 Ų246.3 Ų46.31%0.01128%0.284CS..  trans-70.5179.8158.969.812.2000110.9Y83 C105 D106 N107 L109Y83-D103 HydrophobicContact CE1-CB 3.97Å; Y83-D103 WeakPolarHBondContact OH-CB 3.41Å; D103-C105 PolarHBondContact O-N 2.82Å; D103-C105 VanDerWaalsContact OD1-C 3.23Å; D103-C105 VanDerWaalsContact OD1-CA 3.29Å; D103-C105 WeakPolarHBondContact OD1-CA 3.5Å; D103-C105 WeakPolarHBondContact OD1-CB 3.36Å; D103-C105 PolarHBondContact OD1-N 2.86Å; D103-D106 PolarHBondContact O-N 3.07Å; D103-D106 VanDerWaalsContact O-N 3.15Å; D103-D106 PolarHBondContact OD1-N 3.37Å; D103-N107 PolarHBondContact N-O 2.91Å; D103-N107 VanDerWaalsContact N-O 3.13Å; D103-N107 WeakPolarHBondContact OD1-CB 3.47Å; D103-N107 PolarHBondContact OD1-N 3.37Å; D103-N107 PolarHBondContact OD1-ND2 3.03Å; D103-N107 WeakPolarHBondContact OD2-CB 3.23Å; D103-N107 PolarHBondContact OD2-ND2 3.06Å; D103-L109 HydrophobicContact CB-CD1 4.22Å
104L93.2Very high92.9Very high83 Ų8346.9 Ų46.944%0.43529%0.285SS..THydrogen-bonded Turntrans-70.1-12.7178.2-61.6-177.2000113.8Q89 D106 I241Q89-L104 HydrophobicContact CB-CD1 3.97Å; Q89-L104 HydrophobicContact CB-CD2 4.15Å; Q89-L104 HydrophobicContact CB-CG 4.18Å; L104-D106 VanDerWaalsContact C-N 3.33Å; L104-I241 HydrophobicContact CD2-CD1 4.01Å; L104-I241 HydrophobicContact CD2-CG2 4.49Å
105C92.7Very high92.9Very high78 Ų7847.8 Ų47.853%0.52728%0.279SS..THydrogen-bonded Turntrans-94.611.8173.6-67.10000112.3D103 N107D103-C105 PolarHBondContact O-N 2.82Å; D103-C105 VanDerWaalsContact OD1-C 3.23Å; D103-C105 VanDerWaalsContact OD1-CA 3.29Å; D103-C105 WeakPolarHBondContact OD1-CA 3.5Å; D103-C105 WeakPolarHBondContact OD1-CB 3.36Å; D103-C105 PolarHBondContact OD1-N 2.86Å; C105-N107 PolarHBondContact O-N 2.89Å
106D90.9Very high92.8Very high83 Ų8347 Ų4744%0.44427%0.272SS..  trans61.520.4-177.7-60.5-43.4000115R91 D103 L104R91-D106 WeakPolarHBondContact CD-OD1 3.3Å; R91-D106 IonicContact NE-OD1 3.34Å; R91-D106 PolarHBondContact NE-OD1 3.32Å; D103-D106 PolarHBondContact O-N 3.07Å; D103-D106 VanDerWaalsContact O-N 3.15Å; D103-D106 PolarHBondContact OD1-N 3.37Å; L104-D106 VanDerWaalsContact C-N 3.33Å
107N91.5Very high92.5Very high45 Ų4547.4 Ų47.424%0.24126%0.255CS..  trans-71.4127.7169.9-61.4-63.5000109.5T102 D103 C105 L109T102-N107 WeakPolarHBondContact CA-O 3.27Å; T102-N107 WeakPolarHBondContact CB-O 3.24Å; D103-N107 PolarHBondContact N-O 2.91Å; D103-N107 VanDerWaalsContact N-O 3.13Å; D103-N107 WeakPolarHBondContact OD1-CB 3.47Å; D103-N107 PolarHBondContact OD1-N 3.37Å; D103-N107 PolarHBondContact OD1-ND2 3.03Å; D103-N107 WeakPolarHBondContact OD2-CB 3.23Å; D103-N107 PolarHBondContact OD2-ND2 3.06Å; C105-N107 PolarHBondContact O-N 2.89Å; N107-L109 PolarHBondContact O-N 2.95Å
108P92.6Very high92Very high40 Ų4045.1 Ų45.126%0.2624%0.238SC..EExtended strand (participates in β ladder)trans-68129.918027.2-32.7000111.1Q100 Y128Q100-P108 HydrophobicContact CG-CB 4.39Å; P108-Y128 VanDerWaalsContact O-CE2 3.28Å; P108-Y128 WeakPolarHBondContact O-CE2 3.43Å; P108-Y128 PolarHBondContact O-OH 3.33Å
109L96.1Very high91.4Very high2 Ų244.9 Ų44.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-110.8-56.5178.3-57.1176.6000110.2W59 V80 Y83 I84 F90 V101 D103 N107W59-L109 HydrophobicContact CH2-CD2 4.37Å; W59-L109 HydrophobicContact CZ2-CD2 4.07Å; V80-L109 HydrophobicContact CG1-CB 4.09Å; V80-L109 WeakPolarHBondContact CG1-O 3.29Å; Y83-L109 HydrophobicContact CD1-CD1 3.91Å; Y83-L109 HydrophobicContact CD1-CD2 3.85Å; Y83-L109 HydrophobicContact CE1-CD1 3.78Å; Y83-L109 HydrophobicContact CE1-CD2 4.08Å; I84-L109 HydrophobicContact CG1-CD1 4.47Å; F90-L109 HydrophobicContact CD1-CD1 3.58Å; F90-L109 HydrophobicContact CE1-CD1 3.81Å; V101-L109 WeakPolarHBondContact O-CB 3.44Å; V101-L109 PolarHBondContact O-N 2.98Å; D103-L109 HydrophobicContact CB-CD1 4.22Å; N107-L109 PolarHBondContact O-N 2.95Å
110L97.2Very high91Very high1 Ų146.1 Ų46.11%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-128.5142.2-179.2-54.4172.2000110.8V80 I84 Q100 V101 V125 E126 A127 V132 L254 L257V80-L110 HydrophobicContact CG1-CD2 4.28Å; I84-L110 HydrophobicContact CD1-CD1 3.67Å; I84-L110 HydrophobicContact CD1-CD2 3.89Å; I84-L110 HydrophobicContact CD1-CG 3.74Å; Q100-L110 CarbonylContact C-O 3.54Å; Q100-L110 WeakPolarHBondContact CA-O 3.3Å; V101-L110 HydrophobicContact CB-CB 4.04Å; V101-L110 HydrophobicContact CG2-CB 4.25Å; V101-L110 PolarHBondContact N-O 3.17Å; V101-L110 PolarHBondContact O-N 3.41Å; V101-L110 VanDerWaalsContact O-N 3.12Å; L110-V125 HydrophobicContact CB-CG1 4.15Å; L110-V125 HydrophobicContact CD1-CG1 3.84Å; L110-V125 HydrophobicContact CD2-CG1 4.13Å; L110-V125 HydrophobicContact CG-CG1 4.27Å; L110-E126 CarbonylContact C-O 3.57Å; L110-E126 VanDerWaalsContact CA-O 3.23Å; L110-E126 WeakPolarHBondContact CA-O 3.27Å; L110-A127 HydrophobicContact CD2-CB 3.83Å; L110-V132 HydrophobicContact CD2-CG2 4.41Å; L110-L254 HydrophobicContact CD1-CD2 4.4Å; L110-L257 HydrophobicContact CD1-CD2 3.72Å
111D95.9Very high90.7Very high56 Ų5646.4 Ų46.430%0.29924%0.243SC..EExtended strand (participates in β ladder)trans-108.8137.2165-62-50.8000108.3Q100 E126Q100-D111 WeakPolarHBondContact CG-OD1 3.05Å; Q100-D111 PolarHBondContact NE2-OD1 2.71Å; D111-E126 PolarHBondContact N-O 3.06Å; D111-E126 PolarHBondContact O-N 3.46Å
112I96.7Very high90.4Very high0 Ų047.1 Ų47.10%025%0.248CC..EExtended strand (participates in β ladder)trans-128.4119.5-176.7-50.1175.1000107.7I99 V101 W123 T124 V125 L257 M258 V261I99-I112 HydrophobicContact CB-CB 4.16Å; I99-I112 HydrophobicContact CG2-CD1 4.31Å; I99-I112 PolarHBondContact N-O 3.33Å; I99-I112 WeakPolarHBondContact O-CA 2.77Å; I99-I112 PolarHBondContact O-N 3.33Å; V101-I112 HydrophobicContact CG2-CD1 3.85Å; I112-W123 HydrophobicContact CG2-CE3 4.14Å; I112-T124 WeakPolarHBondContact CA-O 3.28Å; I112-V125 HydrophobicContact CG1-CG1 4.23Å; I112-V125 HydrophobicContact CG1-CG2 4.21Å; I112-V125 HydrophobicContact CG2-CG2 4.33Å; I112-L257 HydrophobicContact CD1-CD2 4.3Å; I112-L257 HydrophobicContact CD1-CG 4.39Å; I112-M258 HydrophobicContact CD1-SD 4.36Å; I112-M258 HydrophobicContact CG2-CE 4.34Å; I112-M258 HydrophobicContact CG2-SD 4.16Å; I112-V261 HydrophobicContact CD1-CG2 3.79Å; I112-V261 HydrophobicContact CG2-CG1 4.16Å
113W94.3Very high90.3Very high51 Ų5147.5 Ų47.519%0.19325%0.25CC..EExtended strand (participates in β ladder)trans-141.2168.4-179.253.1-94.3000109.2D98 Q115 W123 T124 E126D98-W113 HydrophobicContact CB-CB 4.34Å; W113-Q115 HydrophobicContact CE3-CG 4.1Å; W113-Q115 HydrophobicContact CZ3-CB 4.42Å; W113-Q115 VanDerWaalsContact CZ3-CD 3.45Å; W113-Q115 HydrophobicContact CZ3-CG 3.58Å; W113-W123 CarbonylContact O-C 3.54Å; W113-W123 WeakPolarHBondContact O-CA 3.5Å; W113-T124 HydrophobicContact CH2-CG2 4.29Å; W113-T124 HydrophobicContact CZ2-CG2 3.93Å; W113-T124 PolarHBondContact N-O 2.95Å; W113-T124 VanDerWaalsContact N-O 3.14Å; W113-T124 PolarHBondContact O-N 2.81Å; W113-E126 HydrophobicContact CZ2-CG 4.49Å; W113-E126 VanDerWaalsContact NE1-CD 3.27Å; W113-E126 PolarHBondContact NE1-OE2 3.5Å
114Y92.9Very high90.3Very high79 Ų7947.8 Ų47.831%0.3125%0.251SS..EExtended strand (participates in β ladder)trans-133.8154.2175.270-90.9000112.5L116 R121 V122 W123Y114-L116 HydrophobicContact CD2-CD2 4.19Å; Y114-L116 HydrophobicContact CD2-CG 4.21Å; Y114-L116 HydrophobicContact CE2-CD1 4.41Å; Y114-L116 HydrophobicContact CE2-CD2 4.05Å; Y114-L116 HydrophobicContact CE2-CG 3.95Å; Y114-R121 HydrophobicContact CD2-CG 3.53Å; Y114-R121 HydrophobicContact CE2-CG 4.27Å; Y114-R121 HydrophobicContact CG-CG 3.8Å; Y114-V122 CarbonylContact C-O 3.6Å; Y114-V122 WeakPolarHBondContact CA-O 3.37Å; Y114-V122 WeakPolarHBondContact CB-O 3.29Å; Y114-W123 HydrophobicContact CD1-CD2 4.34Å; Y114-W123 AromaticContact CD1-CE3 3.93Å; Y114-W123 HydrophobicContact CD1-CE3 3.93Å; Y114-W123 AromaticContact CD1-CH2 3.52Å; Y114-W123 HydrophobicContact CD1-CH2 3.52Å; Y114-W123 HydrophobicContact CD1-CZ2 4Å; Y114-W123 AromaticContact CD1-CZ3 3.5Å; Y114-W123 HydrophobicContact CD1-CZ3 3.5Å; Y114-W123 AromaticContact CE1-CH2 3.99Å; Y114-W123 HydrophobicContact CE1-CH2 3.99Å; Y114-W123 HydrophobicContact CE1-CZ3 4.3Å; Y114-W123 HydrophobicContact CG-CD2 4.37Å; Y114-W123 HydrophobicContact CG-CE3 4.31Å; Y114-W123 HydrophobicContact CG-CH2 4.36Å; Y114-W123 HydrophobicContact CG-CZ2 4.46Å; Y114-W123 HydrophobicContact CG-CZ3 4.3Å
115Q89.5Confident90.5Very high115 Ų11543.9 Ų43.954%0.53723%0.231SC..EExtended strand (participates in β ladder)trans-117.1145.4166.7-76.2170.615.300109.4W113 V122W113-Q115 HydrophobicContact CE3-CG 4.1Å; W113-Q115 HydrophobicContact CZ3-CB 4.42Å; W113-Q115 VanDerWaalsContact CZ3-CD 3.45Å; W113-Q115 HydrophobicContact CZ3-CG 3.58Å; Q115-V122 PolarHBondContact N-O 2.83Å; Q115-V122 PolarHBondContact O-N 2.11Å
116L85.1Confident90.7Very high58 Ų5842.1 Ų42.130%0.30422%0.215SC..EExtended strand (participates in β ladder)trans-96.6123.4173.7-65.7173.6000108.9Y114 R121 L139Y114-L116 HydrophobicContact CD2-CD2 4.19Å; Y114-L116 HydrophobicContact CD2-CG 4.21Å; Y114-L116 HydrophobicContact CE2-CD1 4.41Å; Y114-L116 HydrophobicContact CE2-CD2 4.05Å; Y114-L116 HydrophobicContact CE2-CG 3.95Å; L116-R121 HydrophobicContact CD2-CB 3.83Å; L116-R121 HydrophobicContact CD2-CG 3.93Å; L116-L139 HydrophobicContact CD2-CD2 4.14Å
117N81.3Confident90.9Very high91 Ų9138.1 Ų38.149%0.48719%0.194SC..  trans-103.9-178165.1-68.3-16.2000109.3T119 F120 L139N117-T119 VanDerWaalsContact C-N 3.26Å; N117-T119 PolarHBondContact O-N 2.74Å; N117-F120 PolarHBondContact N-O 2.97Å; N117-L139 WeakPolarHBondContact O-CD1 3.39Å
118C73.8Confident90.9Very high55 Ų5539.1 Ų39.137%0.37219%0.194SC..SBendtrans-62-33.4-179.7-70.10000113.7C142 C284C118-C142 PolarHBondContact O-SG 3.46Å; C118-C284 WeakPolarHBondContact CA-SG 3.31Å; C118-C284 HydrophobicContact CB-CB 4.13Å; C118-C284 WeakPolarHBondContact CB-SG 3.08Å; C118-C284 VanDerWaalsContact SG-CA 3.55Å; C118-C284 WeakPolarHBondContact SG-CB 3.4Å; C118-C284 CovalentContact SG-SG 2.03Å; C118-C284 PolarHBondContact SG-SG 3.06Å
119T79.3Confident90.8Very high59 Ų5940 Ų4036%0.36221%0.211SC..SBendtrans-114-26-172-43.80000112.7N117 L139 L146N117-T119 VanDerWaalsContact C-N 3.26Å; N117-T119 PolarHBondContact O-N 2.74Å; T119-L139 PolarHBondContact O-N 3.06Å; T119-L146 HydrophobicContact CG2-CD1 4.13Å
120F84.4Confident90.6Very high37 Ų3744.6 Ų44.616%0.16223%0.231CC..EExtended strand (participates in β ladder)trans-133.3147.1-171.7-59.7-83.2000111.5L18 N117 V122 N136 D137 P138L18-F120 HydrophobicContact CD1-CE2 4.02Å; L18-F120 HydrophobicContact CD1-CZ 4.11Å; N117-F120 PolarHBondContact N-O 2.97Å; F120-V122 HydrophobicContact CB-CG2 4.08Å; F120-N136 HydrophobicContact CD1-CB 4.23Å; F120-D137 CarbonylContact C-O 3.59Å; F120-D137 WeakPolarHBondContact CA-O 3.35Å; F120-P138 HydrophobicContact CD1-CB 4.31Å; F120-P138 HydrophobicContact CD1-CG 4.21Å; F120-P138 HydrophobicContact CE1-CB 4.26Å; F120-P138 HydrophobicContact CE1-CG 3.99Å
121R88.3Confident90.5Very high36 Ų3646.1 Ų46.114%0.13624%0.243CC..EExtended strand (participates in β ladder)trans-84.4115.9150.6-178.4-177.9-60.7176.31.3107.2Y114 L116 W123 D137 L139Y114-R121 HydrophobicContact CD2-CG 3.53Å; Y114-R121 HydrophobicContact CE2-CG 4.27Å; Y114-R121 HydrophobicContact CG-CG 3.8Å; L116-R121 HydrophobicContact CD2-CB 3.83Å; L116-R121 HydrophobicContact CD2-CG 3.93Å; R121-W123 VanDerWaalsContact CD-CE2 3.49Å; R121-W123 VanDerWaalsContact CD-NE1 3.29Å; R121-D137 HydrophobicContact CB-CB 4.15Å; R121-D137 PolarHBondContact N-O 3.14Å; R121-D137 WeakPolarHBondContact O-CB 3.3Å; R121-D137 PolarHBondContact O-N 2.79Å; R121-L139 HydrophobicContact CB-CD2 4.06Å
122V91.4Very high90.5Very high19 Ų1943.8 Ų43.812%0.11523%0.231CC..EExtended strand (participates in β ladder)trans-100.3106.3178.3-175.40000108Y114 Q115 F120 V135Y114-V122 CarbonylContact C-O 3.6Å; Y114-V122 WeakPolarHBondContact CA-O 3.37Å; Y114-V122 WeakPolarHBondContact CB-O 3.29Å; Q115-V122 PolarHBondContact N-O 2.83Å; Q115-V122 PolarHBondContact O-N 2.11Å; F120-V122 HydrophobicContact CB-CG2 4.08Å; V122-V135 WeakPolarHBondContact CA-O 3.31Å
123W94.7Very high90.4Very high8 Ų843.9 Ų43.93%0.0323%0.232CC..EExtended strand (participates in β ladder)trans-81.9138.5171.1-58.682.8000109.7I112 W113 Y114 R121 Q134 V135 D137 M258 V261 T265I112-W123 HydrophobicContact CG2-CE3 4.14Å; W113-W123 CarbonylContact O-C 3.54Å; W113-W123 WeakPolarHBondContact O-CA 3.5Å; Y114-W123 HydrophobicContact CD1-CD2 4.34Å; Y114-W123 AromaticContact CD1-CE3 3.93Å; Y114-W123 HydrophobicContact CD1-CE3 3.93Å; Y114-W123 AromaticContact CD1-CH2 3.52Å; Y114-W123 HydrophobicContact CD1-CH2 3.52Å; Y114-W123 HydrophobicContact CD1-CZ2 4Å; Y114-W123 AromaticContact CD1-CZ3 3.5Å; Y114-W123 HydrophobicContact CD1-CZ3 3.5Å; Y114-W123 AromaticContact CE1-CH2 3.99Å; Y114-W123 HydrophobicContact CE1-CH2 3.99Å; Y114-W123 HydrophobicContact CE1-CZ3 4.3Å; Y114-W123 HydrophobicContact CG-CD2 4.37Å; Y114-W123 HydrophobicContact CG-CE3 4.31Å; Y114-W123 HydrophobicContact CG-CH2 4.36Å; Y114-W123 HydrophobicContact CG-CZ2 4.46Å; Y114-W123 HydrophobicContact CG-CZ3 4.3Å; R121-W123 VanDerWaalsContact CD-CE2 3.49Å; R121-W123 VanDerWaalsContact CD-NE1 3.29Å; W123-Q134 CarbonylContact O-C 3.54Å; W123-Q134 VanDerWaalsContact O-CA 3.31Å; W123-Q134 WeakPolarHBondContact O-CA 3.16Å; W123-V135 HydrophobicContact CB-CB 4.08Å; W123-V135 PolarHBondContact N-O 2.82Å; W123-V135 PolarHBondContact O-N 3.44Å; W123-D137 PolarHBondContact NE1-OD2 2.88Å; W123-M258 HydrophobicContact CB-CE 3.72Å; W123-M258 HydrophobicContact CG-CE 4.12Å; W123-V261 HydrophobicContact CZ3-CG1 4.33Å; W123-T265 HydrophobicContact CH2-CG2 3.65Å; W123-T265 WeakPolarHBondContact CH2-OG1 3.36Å; W123-T265 HydrophobicContact CZ3-CG2 4.22Å
124T95.6Very high90.4Very high7 Ų744.9 Ų44.94%0.04324%0.238CC..EExtended strand (participates in β ladder)trans-122.3128.2176-54.50000108.7I112 W113 E126 A131I112-T124 WeakPolarHBondContact CA-O 3.28Å; W113-T124 HydrophobicContact CH2-CG2 4.29Å; W113-T124 HydrophobicContact CZ2-CG2 3.93Å; W113-T124 PolarHBondContact N-O 2.95Å; W113-T124 VanDerWaalsContact N-O 3.14Å; W113-T124 PolarHBondContact O-N 2.81Å; T124-E126 HydrophobicContact CG2-CG 3.62Å; T124-A131 HydrophobicContact CG2-CB 4.3Å
125V97.1Very high90.5Very high1 Ų141.2 Ų41.21%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-100.4123.1169-176.20000107.8L110 I112 V132 L133 M258L110-V125 HydrophobicContact CB-CG1 4.15Å; L110-V125 HydrophobicContact CD1-CG1 3.84Å; L110-V125 HydrophobicContact CD2-CG1 4.13Å; L110-V125 HydrophobicContact CG-CG1 4.27Å; I112-V125 HydrophobicContact CG1-CG1 4.23Å; I112-V125 HydrophobicContact CG1-CG2 4.21Å; I112-V125 HydrophobicContact CG2-CG2 4.33Å; V125-V132 HydrophobicContact CG1-CB 4.42Å; V125-V132 PolarHBondContact O-N 3.11Å; V125-L133 HydrophobicContact CB-CB 3.9Å; V125-L133 HydrophobicContact CG2-CB 3.95Å; V125-L133 HydrophobicContact CG2-CD2 4.17Å; V125-L133 PolarHBondContact N-O 2.83Å; V125-L133 PolarHBondContact O-N 3.29Å; V125-M258 HydrophobicContact CG2-CE 4.29Å; V125-M258 HydrophobicContact CG2-CG 4.03Å; V125-M258 HydrophobicContact CG2-SD 3.25Å; V125-M258 WeakPolarHBondContact CG2-SD 3.37Å
126E96Very high90.5Very high41 Ų4137.6 Ų37.619%0.19221%0.209CC..EExtended strand (participates in β ladder)trans-122.6138.8-178.1-58.6-169.2135.200111.5L110 D111 W113 T124 K130L110-E126 CarbonylContact C-O 3.57Å; L110-E126 VanDerWaalsContact CA-O 3.23Å; L110-E126 WeakPolarHBondContact CA-O 3.27Å; D111-E126 PolarHBondContact N-O 3.06Å; D111-E126 PolarHBondContact O-N 3.46Å; W113-E126 HydrophobicContact CZ2-CG 4.49Å; W113-E126 VanDerWaalsContact NE1-CD 3.27Å; W113-E126 PolarHBondContact NE1-OE2 3.5Å; T124-E126 HydrophobicContact CG2-CG 3.62Å; E126-K130 CarbonylContact C-O 3.41Å; E126-K130 VanDerWaalsContact CA-O 3.32Å; E126-K130 WeakPolarHBondContact CA-O 3.36Å
127A95.1Very high90.7Very high0 Ų035.2 Ų35.20%020%0.196CC..EExtended strand (participates in β ladder)trans-106.9106.9165.700000107.9K77 V80 L110 G129 K130 V132K77-A127 HydrophobicContact CB-CB 4.42Å; K77-A127 HydrophobicContact CG-CB 4.35Å; V80-A127 HydrophobicContact CB-CB 4.19Å; V80-A127 HydrophobicContact CG1-CB 4.1Å; V80-A127 HydrophobicContact CG2-CB 4.45Å; L110-A127 HydrophobicContact CD2-CB 3.83Å; A127-G129 PolarHBondContact O-N 3.09Å; A127-K130 PolarHBondContact N-O 3.01Å; A127-K130 PolarHBondContact O-N 2.77Å; A127-K130 VanDerWaalsContact O-N 3.16Å; A127-V132 HydrophobicContact CB-CG2 3.78Å
128Y90.9Very high90.8Very high65 Ų6531.5 Ų31.526%0.25518%0.177SC..THydrogen-bonded Turntrans52.650177.9-71.3-96.3000113.6W59 R63 P75 V80 P108 K130W59-Y128 AromaticContact CH2-CE2 3.65Å; W59-Y128 HydrophobicContact CH2-CE2 3.65Å; W59-Y128 AromaticContact CH2-CZ 3.71Å; W59-Y128 WeakPolarHBondContact CH2-OH 3.22Å; W59-Y128 HydrophobicContact CZ3-CE2 4.1Å; W59-Y128 AromaticContact CZ3-CZ 3.72Å; W59-Y128 WeakPolarHBondContact CZ3-OH 3.3Å; R63-Y128 PolarHBondContact NH1-OH 3.14Å; R63-Y128 VanDerWaalsContact NH1-OH 3.13Å; P75-Y128 VanDerWaalsContact CD-CE2 3.49Å; P75-Y128 VanDerWaalsContact CD-CZ 3.43Å; P75-Y128 HydrophobicContact CG-CD1 4.05Å; P75-Y128 HydrophobicContact CG-CD2 3.24Å; P75-Y128 HydrophobicContact CG-CE1 3.97Å; P75-Y128 HydrophobicContact CG-CE2 3.16Å; P75-Y128 HydrophobicContact CG-CG 3.7Å; V80-Y128 HydrophobicContact CG2-CD2 3.9Å; V80-Y128 HydrophobicContact CG2-CE2 3.99Å; P108-Y128 VanDerWaalsContact O-CE2 3.28Å; P108-Y128 WeakPolarHBondContact O-CE2 3.43Å; P108-Y128 PolarHBondContact O-OH 3.33Å; Y128-K130 VanDerWaalsContact C-N 3.27Å; Y128-K130 PolarHBondContact O-N 3.26Å
129G90.4Very high90.9Very high59 Ų5930.1 Ų30.161%0.60817%0.166SC*.THydrogen-bonded Turntrans75.49.6177.700000114.9A127A127-G129 PolarHBondContact O-N 3.09Å
130K93.6Very high90.4Very high98 Ų9833.2 Ų33.243%0.42618%0.18SC..EExtended strand (participates in β ladder)trans-111.5123.7171.5-62.8-172.2179.7-170.80109.6H76 K77 E126 A127 Y128 V132H76-K130 PolarHBondContact NE2-NZ 3.49Å; K77-K130 HydrophobicContact CB-CB 4.18Å; K77-K130 HydrophobicContact CB-CD 3.94Å; K77-K130 HydrophobicContact CD-CB 3.98Å; E126-K130 CarbonylContact C-O 3.41Å; E126-K130 VanDerWaalsContact CA-O 3.32Å; E126-K130 WeakPolarHBondContact CA-O 3.36Å; A127-K130 PolarHBondContact N-O 3.01Å; A127-K130 PolarHBondContact O-N 2.77Å; A127-K130 VanDerWaalsContact O-N 3.16Å; Y128-K130 VanDerWaalsContact C-N 3.27Å; Y128-K130 PolarHBondContact O-N 3.26Å; K130-V132 PolarHBondContact O-N 3.07Å
131A94.2Very high89Confident33 Ų3335 Ų3527%0.27319%0.194SC..EExtended strand (participates in β ladder)trans-56.9136.6173.800000111.5K77 T124 S156K77-A131 PolarHBondContact NZ-O 2.82Å; T124-A131 HydrophobicContact CG2-CB 4.3Å; A131-S156 WeakPolarHBondContact O-CB 3.28Å
132V95.3Very high87.3Confident8 Ų836.2 Ų36.25%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-112.4-43.3175.8174.40000109.7K77 L81 L110 V125 A127 K130 S156 L254K77-V132 HydrophobicContact CD-CG2 4.16Å; K77-V132 HydrophobicContact CG-CG2 4.17Å; L81-V132 HydrophobicContact CD1-CG1 4.37Å; L81-V132 HydrophobicContact CD2-CG1 3.65Å; L81-V132 HydrophobicContact CD2-CG2 4.22Å; L110-V132 HydrophobicContact CD2-CG2 4.41Å; V125-V132 HydrophobicContact CG1-CB 4.42Å; V125-V132 PolarHBondContact O-N 3.11Å; A127-V132 HydrophobicContact CB-CG2 3.78Å; K130-V132 PolarHBondContact O-N 3.07Å; V132-S156 PolarHBondContact O-N 2.93Å; V132-S156 VanDerWaalsContact O-N 3.12Å; V132-L254 HydrophobicContact CG1-CD1 3.94Å; V132-L254 HydrophobicContact CG1-CD2 4.37Å
133L95.7Very high85.4Confident1 Ų137.9 Ų37.91%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-146.7145-174.4-166.375.4000109.4V125 V135 V153 V154 L161 M258V125-L133 HydrophobicContact CB-CB 3.9Å; V125-L133 HydrophobicContact CG2-CB 3.95Å; V125-L133 HydrophobicContact CG2-CD2 4.17Å; V125-L133 PolarHBondContact N-O 2.83Å; V125-L133 PolarHBondContact O-N 3.29Å; L133-V135 HydrophobicContact CD2-CG2 3.95Å; L133-V135 HydrophobicContact CG-CG2 4.29Å; L133-V153 HydrophobicContact CD1-CG1 3.28Å; L133-V153 HydrophobicContact CD2-CG1 3.71Å; L133-V153 HydrophobicContact CG-CG1 3.64Å; L133-V154 WeakPolarHBondContact CA-O 3.21Å; L133-V154 VanDerWaalsContact CD1-O 3.23Å; L133-V154 WeakPolarHBondContact CD1-O 3.35Å; L133-L161 HydrophobicContact CD1-CD1 3.39Å; L133-M258 HydrophobicContact CD2-CB 4.37Å; L133-M258 HydrophobicContact CD2-CG 3.35Å; L133-M258 HydrophobicContact CD2-SD 4.5Å
134Q94.8Very high83.4Confident72 Ų7242.7 Ų42.734%0.33625%0.248SC..EExtended strand (participates in β ladder)trans-122.1139.3165.9-66.2-174.9-38.800109.9W123 V154W123-Q134 CarbonylContact O-C 3.54Å; W123-Q134 VanDerWaalsContact O-CA 3.31Å; W123-Q134 WeakPolarHBondContact O-CA 3.16Å; Q134-V154 HydrophobicContact CB-CG2 3.8Å; Q134-V154 PolarHBondContact N-O 2.81Å; Q134-V154 PolarHBondContact O-N 3.31Å
135V93.7Very high81.3Confident3 Ų350.2 Ų50.22%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-124.8118.2178.9-176.60000109.2V122 W123 L133 I151 F152 V153 F164 M258V122-V135 WeakPolarHBondContact CA-O 3.31Å; W123-V135 HydrophobicContact CB-CB 4.08Å; W123-V135 PolarHBondContact N-O 2.82Å; W123-V135 PolarHBondContact O-N 3.44Å; L133-V135 HydrophobicContact CD2-CG2 3.95Å; L133-V135 HydrophobicContact CG-CG2 4.29Å; V135-I151 HydrophobicContact CG1-CG2 3.18Å; V135-F152 CarbonylContact C-O 3.58Å; V135-F152 VanDerWaalsContact CA-O 3.3Å; V135-F152 WeakPolarHBondContact CA-O 3.3Å; V135-V153 HydrophobicContact CG1-CG2 4.18Å; V135-V153 HydrophobicContact CG2-CG1 4.12Å; V135-V153 HydrophobicContact CG2-CG2 4.04Å; V135-F164 HydrophobicContact CG1-CE2 4.16Å; V135-M258 HydrophobicContact CB-CE 4.01Å; V135-M258 HydrophobicContact CG2-CB 4.23Å; V135-M258 HydrophobicContact CG2-CE 3.55Å; V135-M258 HydrophobicContact CG2-CG 3.84Å; V135-M258 HydrophobicContact CG2-SD 4.4Å
136N90.8Very high79.2Confident39 Ų3953.2 Ų53.221%0.20930%0.296CS..EExtended strand (participates in β ladder)trans-96105.5-178.8-61.8-52.9000108.8F120 P138 F152F120-N136 HydrophobicContact CD1-CB 4.23Å; N136-P138 WeakPolarHBondContact O-CD 3.37Å; N136-F152 PolarHBondContact N-O 2.82Å; N136-F152 PolarHBondContact O-N 2.83Å
137D88.6Confident77.1Confident7 Ų758.7 Ų58.74%0.03732%0.322CS..EExtended strand (participates in β ladder)trans-106.2105.4-176.2174.521.8000108.7F120 R121 W123 L139 I151 R262F120-D137 CarbonylContact C-O 3.59Å; F120-D137 WeakPolarHBondContact CA-O 3.35Å; R121-D137 HydrophobicContact CB-CB 4.15Å; R121-D137 PolarHBondContact N-O 3.14Å; R121-D137 WeakPolarHBondContact O-CB 3.3Å; R121-D137 PolarHBondContact O-N 2.79Å; W123-D137 PolarHBondContact NE1-OD2 2.88Å; D137-L139 PolarHBondContact O-N 2.84Å; D137-I151 HydrophobicContact CB-CG1 4.38Å; D137-I151 HydrophobicContact CB-CG2 4.08Å; D137-R262 IonicContact OD1-CZ 3.94Å; D137-R262 IonicContact OD1-NE 3.46Å; D137-R262 IonicContact OD1-NH2 3.31Å; D137-R262 PolarHBondContact OD1-NH2 3.39Å; D137-R262 IonicContact OD2-CZ 3.95Å; D137-R262 IonicContact OD2-NE 2.69Å; D137-R262 PolarHBondContact OD2-NE 2.84Å; D137-R262 IonicContact OD2-NH2 3.2Å; D137-R262 PolarHBondContact OD2-NH2 3.39Å
138P82.7Confident75.4Confident13 Ų1362.7 Ų62.78%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-56.7137.1-177.2-23.632.1000112.8F120 N136 N140 L146 C150F120-P138 HydrophobicContact CD1-CB 4.31Å; F120-P138 HydrophobicContact CD1-CG 4.21Å; F120-P138 HydrophobicContact CE1-CB 4.26Å; F120-P138 HydrophobicContact CE1-CG 3.99Å; N136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-N140 PolarHBondContact O-N 2.94Å; P138-L146 HydrophobicContact CB-CD1 4.22Å; P138-C150 VanDerWaalsContact CD-O 3.27Å; P138-C150 WeakPolarHBondContact CD-O 3.47Å; P138-C150 VanDerWaalsContact CG-O 3.3Å; P138-C150 WeakPolarHBondContact CG-O 3.47Å
139L77.3Confident74.5Confident27 Ų2760.7 Ų60.714%0.14134%0.339CS..  trans-83.8104.5169.5-60.3178.5000108.5L116 N117 T119 R121 D137 V141 C142L116-L139 HydrophobicContact CD2-CD2 4.14Å; N117-L139 WeakPolarHBondContact O-CD1 3.39Å; T119-L139 PolarHBondContact O-N 3.06Å; R121-L139 HydrophobicContact CB-CD2 4.06Å; D137-L139 PolarHBondContact O-N 2.84Å; L139-V141 PolarHBondContact O-N 3.45Å; L139-C142 PolarHBondContact O-N 3.49Å; L139-C142 VanDerWaalsContact O-N 3.07Å
140N67.2Low74.3Confident124 Ų12458.1 Ų58.166%0.66331%0.312SS*.THydrogen-bonded Turntrans-54.1-8.5177.4-68.3-14.6000115.1P138P138-N140 PolarHBondContact O-N 2.94Å
141V56.6Low74.1Confident74 Ų7453.5 Ų53.545%0.44829%0.292SS..THydrogen-bonded Turntrans-80.9-30.8-179.3-176.70000111.8L139 M277L139-V141 PolarHBondContact O-N 3.45Å; V141-M277 HydrophobicContact CB-SD 4.05Å; V141-M277 HydrophobicContact CG1-CE 4.06Å; V141-M277 HydrophobicContact CG1-SD 3.38Å; V141-M277 WeakPolarHBondContact CG1-SD 3.48Å; V141-M277 HydrophobicContact CG2-CE 4.5Å; V141-M277 HydrophobicContact CG2-SD 3.53Å; V141-M277 VanDerWaalsContact CG2-SD 3.53Å
142C52.1Low74Confident61 Ų6153.4 Ų53.441%0.41229%0.285SS..THydrogen-bonded Turntrans-100.6-12.3-166.4-65.20000113.9C118 L139C118-C142 PolarHBondContact O-SG 3.46Å; L139-C142 PolarHBondContact O-N 3.49Å; L139-C142 VanDerWaalsContact O-N 3.07Å
143D51.6Low73.9Confident55 Ų5553 Ų5329%0.29428%0.283SS..  trans-152104.5174.4-163.7-16000111F145 L146D143-F145 PolarHBondContact O-N 2.79Å; D143-F145 WeakPolarHBondContact OD1-CA 3.49Å; D143-F145 VanDerWaalsContact OD1-CB 3.23Å; D143-F145 WeakPolarHBondContact OD1-CB 3.15Å; D143-F145 WeakPolarHBondContact OD1-CD2 3.45Å; D143-F145 PolarHBondContact OD1-N 3.42Å; D143-L146 HydrophobicContact CB-CB 4.21Å; D143-L146 HydrophobicContact CB-CD1 3.77Å; D143-L146 HydrophobicContact CB-CG 3.88Å; D143-L146 PolarHBondContact O-N 2.91Å
144P52.4Low73.8Confident108 Ų10854.1 Ų54.170%0.70129%0.29SS*.THydrogen-bonded Turntrans-68.3-9.8173.629.5-33.4000112.8
145F51.8Low73.7Confident166 Ų16651.7 Ų51.773%0.72828%0.279SS*.THydrogen-bonded Turntrans-96.9-4.7178.1-52.4-78.1000113.6D143 Q147D143-F145 PolarHBondContact O-N 2.79Å; D143-F145 WeakPolarHBondContact OD1-CA 3.49Å; D143-F145 VanDerWaalsContact OD1-CB 3.23Å; D143-F145 WeakPolarHBondContact OD1-CB 3.15Å; D143-F145 WeakPolarHBondContact OD1-CD2 3.45Å; D143-F145 PolarHBondContact OD1-N 3.42Å; F145-Q147 PolarHBondContact O-N 2.9Å
146L52.8Low73.5Confident63 Ų6354.2 Ų54.233%0.3330%0.297SS..SBendtrans-70.572.2162-80.1169000108.1T119 P138 D143T119-L146 HydrophobicContact CG2-CD1 4.13Å; P138-L146 HydrophobicContact CB-CD1 4.22Å; D143-L146 HydrophobicContact CB-CB 4.21Å; D143-L146 HydrophobicContact CB-CD1 3.77Å; D143-L146 HydrophobicContact CB-CG 3.88Å; D143-L146 PolarHBondContact O-N 2.91Å
147Q50.8Low73.5Confident157 Ų15756.6 Ų56.673%0.73432%0.317SS*.THydrogen-bonded Turntrans-63.5135.8177.6-82.9176.8-24.600109.2F145F145-Q147 PolarHBondContact O-N 2.9Å
148E59.4Low73.6Confident84 Ų8458.7 Ų58.739%0.39334%0.34SS..THydrogen-bonded Turntrans85.917.9168.1-51.7-171.316900119C23 N25 C150C23-E148 WeakPolarHBondContact CB-OE2 3.36Å; N25-E148 PolarHBondContact ND2-OE1 3.4Å; N25-E148 PolarHBondContact ND2-OE2 3.32Å; E148-C150 PolarHBondContact O-N 2.97Å
149G72.6Confident74Confident23 Ų2363 Ų6324%0.23736%0.363CS..  trans5126.5163.300000114.6I151 A166G149-I151 PolarHBondContact O-N 3.46Å; G149-A166 PolarHBondContact O-N 2.96Å
150C85.4Confident74.7Confident5 Ų565.2 Ų65.23%0.03437%0.369CS..EExtended strand (participates in β ladder)trans-73.5124.4-175.2-66.70000107.1C23 P138 E148 F152 Y163 F164C23-C150 WeakPolarHBondContact CB-SG 3.36Å; C23-C150 WeakPolarHBondContact SG-CB 3.2Å; C23-C150 CovalentContact SG-SG 2.11Å; C23-C150 PolarHBondContact SG-SG 3.49Å; P138-C150 VanDerWaalsContact CD-O 3.27Å; P138-C150 WeakPolarHBondContact CD-O 3.47Å; P138-C150 VanDerWaalsContact CG-O 3.3Å; P138-C150 WeakPolarHBondContact CG-O 3.47Å; E148-C150 PolarHBondContact O-N 2.97Å; C150-F152 HydrophobicContact CB-CE1 4.4Å; C150-F152 HydrophobicContact CB-CE2 4.13Å; C150-F152 HydrophobicContact CB-CZ 3.85Å; C150-Y163 HydrophobicContact CB-CD2 4.07Å; C150-F164 CarbonylContact C-O 3.54Å; C150-F164 VanDerWaalsContact CA-O 3.3Å; C150-F164 WeakPolarHBondContact CA-O 3.4Å
151I89.7Confident75.9Confident1 Ų160.2 Ų60.21%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-109.6110.5180-62.5172.9000108.1V135 D137 G149 Y163 F164 A166 R262V135-I151 HydrophobicContact CG1-CG2 3.18Å; D137-I151 HydrophobicContact CB-CG1 4.38Å; D137-I151 HydrophobicContact CB-CG2 4.08Å; G149-I151 PolarHBondContact O-N 3.46Å; I151-Y163 CarbonylContact O-C 3.59Å; I151-Y163 WeakPolarHBondContact O-CA 3.46Å; I151-Y163 WeakPolarHBondContact O-CB 3.47Å; I151-F164 HydrophobicContact CB-CB 4.23Å; I151-F164 HydrophobicContact CB-CD2 3.97Å; I151-F164 HydrophobicContact CG2-CD2 3.8Å; I151-F164 HydrophobicContact CG2-CE2 4.44Å; I151-F164 PolarHBondContact N-O 3.2Å; I151-F164 PolarHBondContact O-N 2.96Å; I151-A166 HydrophobicContact CD1-CB 4.17Å; I151-R262 HydrophobicContact CD1-CG 4.02Å
152F91.7Very high77.6Confident30 Ų3056.7 Ų56.713%0.13232%0.321CS..EExtended strand (participates in β ladder)trans-88.1142.5-170.4-58.7-83.9000112.3M21 V135 N136 C150 Y160M21-F152 HydrophobicContact CB-CE1 4.49Å; M21-F152 HydrophobicContact SD-CE1 4.47Å; V135-F152 CarbonylContact C-O 3.58Å; V135-F152 VanDerWaalsContact CA-O 3.3Å; V135-F152 WeakPolarHBondContact CA-O 3.3Å; N136-F152 PolarHBondContact N-O 2.82Å; N136-F152 PolarHBondContact O-N 2.83Å; C150-F152 HydrophobicContact CB-CE1 4.4Å; C150-F152 HydrophobicContact CB-CE2 4.13Å; C150-F152 HydrophobicContact CB-CZ 3.85Å; F152-Y160 HydrophobicContact CD1-CE2 4.04Å
153V93.9Very high79.5Confident0 Ų054.9 Ų54.90%031%0.306CS..EExtended strand (participates in β ladder)trans-122.8124.6-176.6-174.10000110.5L133 V135 L161 G162 F164 L255L133-V153 HydrophobicContact CD1-CG1 3.28Å; L133-V153 HydrophobicContact CD2-CG1 3.71Å; L133-V153 HydrophobicContact CG-CG1 3.64Å; V135-V153 HydrophobicContact CG1-CG2 4.18Å; V135-V153 HydrophobicContact CG2-CG1 4.12Å; V135-V153 HydrophobicContact CG2-CG2 4.04Å; V153-L161 HydrophobicContact CG1-CB 4.38Å; V153-L161 HydrophobicContact CG1-CD1 4.45Å; V153-L161 PolarHBondContact O-N 3.09Å; V153-G162 WeakPolarHBondContact CB-O 3.47Å; V153-G162 PolarHBondContact N-O 3.23Å; V153-F164 HydrophobicContact CG2-CD2 3.95Å; V153-F164 HydrophobicContact CG2-CE1 4.31Å; V153-F164 HydrophobicContact CG2-CE2 3.27Å; V153-F164 HydrophobicContact CG2-CZ 3.49Å; V153-F164 VanDerWaalsContact CG2-CZ 3.49Å; V153-L255 HydrophobicContact CB-CD2 3.92Å; V153-L255 HydrophobicContact CG1-CD2 3.74Å; V153-L255 HydrophobicContact CG2-CD2 3.99Å
154V94.3Very high81.3Confident25 Ų2552.3 Ų52.315%0.15229%0.292CS..EExtended strand (participates in β ladder)trans-125.3147.6176.6-58.50000110.7L133 Q134 D159L133-V154 WeakPolarHBondContact CA-O 3.21Å; L133-V154 VanDerWaalsContact CD1-O 3.23Å; L133-V154 WeakPolarHBondContact CD1-O 3.35Å; Q134-V154 HydrophobicContact CB-CG2 3.8Å; Q134-V154 PolarHBondContact N-O 2.81Å; Q134-V154 PolarHBondContact O-N 3.31Å; V154-D159 CarbonylContact C-O 3.53Å; V154-D159 VanDerWaalsContact CA-O 3.28Å; V154-D159 WeakPolarHBondContact CA-O 3.3Å
155D93.1Very high83Confident20 Ų2048.1 Ų48.111%0.10727%0.265CS..EExtended strand (participates in β ladder)trans-74.2-179.8174.492.5-27.5000111.5S157 G158 D159 L161D155-S157 VanDerWaalsContact CG-N 3.32Å; D155-S157 PolarHBondContact O-N 2.82Å; D155-S157 VanDerWaalsContact OD1-CA 3.24Å; D155-S157 WeakPolarHBondContact OD1-CA 3.39Å; D155-S157 WeakPolarHBondContact OD1-CB 3.33Å; D155-S157 PolarHBondContact OD1-N 2.81Å; D155-S157 WeakPolarHBondContact OD2-CB 3.41Å; D155-S157 PolarHBondContact OD2-N 2.85Å; D155-S157 PolarHBondContact OD2-OG 2.88Å; D155-G158 PolarHBondContact O-N 3.04Å; D155-G158 PolarHBondContact OD1-N 3.35Å; D155-D159 PolarHBondContact N-O 2.95Å; D155-D159 WeakPolarHBondContact OD1-CB 3.39Å; D155-D159 PolarHBondContact OD1-N 2.79Å; D155-L161 HydrophobicContact CB-CD1 3.91Å; D155-L161 HydrophobicContact CB-CD2 4.08Å; D155-L161 HydrophobicContact CB-CG 4.04Å
156S89.2Confident84.2Confident57 Ų5742 Ų4240%0.39924%0.244SC..THydrogen-bonded Turntrans-66.3-16.1176.959.70000115.7K77 A131 V132K77-S156 PolarHBondContact NZ-OG 3.06Å; A131-S156 WeakPolarHBondContact O-CB 3.28Å; V132-S156 PolarHBondContact O-N 2.93Å; V132-S156 VanDerWaalsContact O-N 3.12Å
157S90.3Very high85.4Confident88 Ų8844 Ų4462%0.61526%0.256SS*.THydrogen-bonded Turntrans-89.4-13.3179-38.60000111.2D155D155-S157 VanDerWaalsContact CG-N 3.32Å; D155-S157 PolarHBondContact O-N 2.82Å; D155-S157 VanDerWaalsContact OD1-CA 3.24Å; D155-S157 WeakPolarHBondContact OD1-CA 3.39Å; D155-S157 WeakPolarHBondContact OD1-CB 3.33Å; D155-S157 PolarHBondContact OD1-N 2.81Å; D155-S157 WeakPolarHBondContact OD2-CB 3.41Å; D155-S157 PolarHBondContact OD2-N 2.85Å; D155-S157 PolarHBondContact OD2-OG 2.88Å
158G89.7Confident86.4Confident52 Ų5241.6 Ų41.654%0.53625%0.248SC..SBendtrans92.64.4-173.300000113.2D155D155-G158 PolarHBondContact O-N 3.04Å; D155-G158 PolarHBondContact OD1-N 3.35Å
159D92.8Very high87.4Confident104 Ų10439.4 Ų39.456%0.55624%0.241SC*.  trans-73.7134178.9-66-36.4000110V154 D155 L161V154-D159 CarbonylContact C-O 3.53Å; V154-D159 VanDerWaalsContact CA-O 3.28Å; V154-D159 WeakPolarHBondContact CA-O 3.3Å; D155-D159 PolarHBondContact N-O 2.95Å; D155-D159 WeakPolarHBondContact OD1-CB 3.39Å; D155-D159 PolarHBondContact OD1-N 2.79Å; D159-L161 PolarHBondContact O-N 3.42Å
160Y91.8Very high88Confident72 Ų7238.5 Ų38.528%0.28223%0.23SC..EExtended strand (participates in β ladder)trans-71.8122.9-179.8-179.9-117.7000111F152 G162 Y163 A175F152-Y160 HydrophobicContact CD1-CE2 4.04Å; Y160-G162 WeakPolarHBondContact CE2-O 3.02Å; Y160-Y163 WeakPolarHBondContact OH-CD1 3.45Å; Y160-A175 HydrophobicContact CD1-CB 3.88Å; Y160-A175 HydrophobicContact CE1-CB 4.24Å
161L91.9Very high88.3Confident20 Ų2039.9 Ų39.911%0.10524%0.238CC..EExtended strand (participates in β ladder)trans-100-24.5179.8-61-174.1000113.1L133 V153 D155 D159 A175 L255L133-L161 HydrophobicContact CD1-CD1 3.39Å; V153-L161 HydrophobicContact CG1-CB 4.38Å; V153-L161 HydrophobicContact CG1-CD1 4.45Å; V153-L161 PolarHBondContact O-N 3.09Å; D155-L161 HydrophobicContact CB-CD1 3.91Å; D155-L161 HydrophobicContact CB-CD2 4.08Å; D155-L161 HydrophobicContact CB-CG 4.04Å; D159-L161 PolarHBondContact O-N 3.42Å; L161-A175 PolarHBondContact O-N 2.81Å; L161-A175 VanDerWaalsContact O-N 3.16Å; L161-L255 HydrophobicContact CB-CD2 4.49Å
162G91.8Very high88.4Confident0 Ų039.8 Ų39.80%024%0.238CC..EExtended strand (participates in β ladder)trans146.4-165.6-175.200000112.3V153 Y160 H173V153-G162 WeakPolarHBondContact CB-O 3.47Å; V153-G162 PolarHBondContact N-O 3.23Å; Y160-G162 WeakPolarHBondContact CE2-O 3.02Å; G162-H173 WeakPolarHBondContact CA-O 3.19Å
163Y91.9Very high88.4Confident23 Ų2339.5 Ų39.59%0.0924%0.237CC..EExtended strand (participates in β ladder)trans-150.8164.4-178.769.7-72.8000111.4C150 I151 Y160 V165 H173 N177C150-Y163 HydrophobicContact CB-CD2 4.07Å; I151-Y163 CarbonylContact O-C 3.59Å; I151-Y163 WeakPolarHBondContact O-CA 3.46Å; I151-Y163 WeakPolarHBondContact O-CB 3.47Å; Y160-Y163 WeakPolarHBondContact OH-CD1 3.45Å; Y163-V165 HydrophobicContact CD2-CG2 4.02Å; Y163-V165 HydrophobicContact CE2-CG2 3.55Å; Y163-H173 HydrophobicContact CD1-CB 3.54Å; Y163-H173 HydrophobicContact CE1-CB 3.26Å; Y163-H173 AromaticContact CE1-CG 3.65Å; Y163-H173 HydrophobicContact CE2-CB 4.35Å; Y163-H173 AromaticContact CE2-ND1 3.74Å; Y163-H173 HydrophobicContact CG-CB 4.24Å; Y163-H173 AromaticContact CZ-CG 3.53Å; Y163-H173 AromaticContact CZ-ND1 3.69Å; Y163-H173 PolarHBondContact N-O 2.79Å; Y163-H173 PolarHBondContact O-N 3.06Å; Y163-N177 HydrophobicContact CE1-CB 4.35Å; Y163-N177 VanDerWaalsContact CE1-OD1 3.28Å; Y163-N177 WeakPolarHBondContact CE1-OD1 3.43Å
164F90.4Very high88.3Confident1 Ų140.9 Ų40.90%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-111.7148.1172-43.6-63.2000110.6V135 C150 I151 V153 Y170 V171 V172 L255 M258 A259V135-F164 HydrophobicContact CG1-CE2 4.16Å; C150-F164 CarbonylContact C-O 3.54Å; C150-F164 VanDerWaalsContact CA-O 3.3Å; C150-F164 WeakPolarHBondContact CA-O 3.4Å; I151-F164 HydrophobicContact CB-CB 4.23Å; I151-F164 HydrophobicContact CB-CD2 3.97Å; I151-F164 HydrophobicContact CG2-CD2 3.8Å; I151-F164 HydrophobicContact CG2-CE2 4.44Å; I151-F164 PolarHBondContact N-O 3.2Å; I151-F164 PolarHBondContact O-N 2.96Å; V153-F164 HydrophobicContact CG2-CD2 3.95Å; V153-F164 HydrophobicContact CG2-CE1 4.31Å; V153-F164 HydrophobicContact CG2-CE2 3.27Å; V153-F164 HydrophobicContact CG2-CZ 3.49Å; V153-F164 VanDerWaalsContact CG2-CZ 3.49Å; F164-Y170 HydrophobicContact CB-CD1 4.28Å; F164-Y170 HydrophobicContact CB-CE1 3.33Å; F164-Y170 HydrophobicContact CB-CE2 4.46Å; F164-Y170 VanDerWaalsContact CB-CZ 3.44Å; F164-Y170 WeakPolarHBondContact CB-OH 3.17Å; F164-Y170 AromaticContact CD1-CE1 3.82Å; F164-Y170 HydrophobicContact CD1-CE1 3.82Å; F164-Y170 HydrophobicContact CD2-CE1 4.21Å; F164-Y170 VanDerWaalsContact CD2-OH 3.28Å; F164-Y170 WeakPolarHBondContact CD2-OH 3.2Å; F164-Y170 AromaticContact CG-CE1 3.53Å; F164-Y170 HydrophobicContact CG-CE1 3.53Å; F164-Y170 AromaticContact CG-CZ 3.83Å; F164-Y170 WeakPolarHBondContact CG-OH 3.11Å; F164-V171 WeakPolarHBondContact CA-O 3.46Å; F164-V172 HydrophobicContact CD1-CB 4.2Å; F164-V172 HydrophobicContact CD1-CG1 3.96Å; F164-V172 HydrophobicContact CD1-CG2 3.87Å; F164-V172 HydrophobicContact CE1-CB 4.44Å; F164-V172 HydrophobicContact CE1-CG1 3.83Å; F164-V172 HydrophobicContact CE1-CG2 4.06Å; F164-L255 HydrophobicContact CE1-CB 4.32Å; F164-L255 HydrophobicContact CE1-CD2 4.21Å; F164-L255 WeakPolarHBondContact CE1-O 3.48Å; F164-L255 HydrophobicContact CZ-CD2 4.19Å; F164-L255 VanDerWaalsContact CZ-O 3.28Å; F164-L255 WeakPolarHBondContact CZ-O 3.27Å; F164-M258 HydrophobicContact CE2-CB 4.07Å; F164-M258 HydrophobicContact CZ-CB 3.88Å; F164-A259 HydrophobicContact CD1-CB 4.3Å; F164-A259 HydrophobicContact CE1-CB 4.04Å; F164-A259 HydrophobicContact CZ-CB 4.42Å
165V87.3Confident88.2Confident20 Ų2041.6 Ų41.612%0.12125%0.253CS..EExtended strand (participates in β ladder)trans-108.2114.9166.6-177.20000107.5Y163 N167 V171Y163-V165 HydrophobicContact CD2-CG2 4.02Å; Y163-V165 HydrophobicContact CE2-CG2 3.55Å; V165-N167 HydrophobicContact CG1-CB 4.15Å; V165-N167 WeakPolarHBondContact CG1-ND2 3.42Å; V165-N167 PolarHBondContact O-N 3.38Å; V165-V171 PolarHBondContact N-O 2.89Å; V165-V171 PolarHBondContact O-N 3.18Å
166A78.4Confident88.1Confident36 Ų3646.3 Ų46.330%0.29828%0.278SS..  trans-76.941.1-175.300000113.9G149 I151 Y170G149-A166 PolarHBondContact O-N 2.96Å; I151-A166 HydrophobicContact CD1-CB 4.17Å; A166-Y170 HydrophobicContact CB-CD2 4.19Å; A166-Y170 HydrophobicContact CB-CE2 3.78Å
167N76.3Confident88.1Confident107 Ų10747.6 Ų47.657%0.57228%0.28SS*.SBendtrans-93.7-177.8173.6-69.4-23.7000110.6V165 P169 Y170V165-N167 HydrophobicContact CG1-CB 4.15Å; V165-N167 WeakPolarHBondContact CG1-ND2 3.42Å; V165-N167 PolarHBondContact O-N 3.38Å; N167-P169 CarbonylContact C-O 3.01Å; N167-P169 CarbonylContact O-C 3.49Å; N167-P169 VanDerWaalsContact O-O 3.08Å; N167-Y170 VanDerWaalsContact O-CA 3.27Å; N167-Y170 WeakPolarHBondContact O-CA 3.33Å; N167-Y170 PolarHBondContact O-N 2.84Å; N167-Y170 VanDerWaalsContact O-N 3.07Å
168D72.1Confident88.1Confident106 Ų10650.1 Ų50.157%0.56728%0.277SS*.SBendtrans-109.7112.2171.2-159.620.5000108.9
169P80.1Confident88.2Confident38 Ų3850.8 Ų50.825%0.24727%0.272CS..SBendcis-74.41590.633.3-36.6000112.6N167 V171 R182 V183N167-P169 CarbonylContact C-O 3.01Å; N167-P169 CarbonylContact O-C 3.49Å; N167-P169 VanDerWaalsContact O-O 3.08Å; P169-V171 HydrophobicContact CG-CG2 4.39Å; P169-V171 WeakPolarHBondContact O-CG2 3.3Å; P169-V171 PolarHBondContact O-N 3.38Å; P169-R182 HydrophobicContact CB-CB 4.3Å; P169-R182 HydrophobicContact CG-CB 4.41Å; P169-V183 WeakPolarHBondContact CB-O 3.28Å
170Y86.1Confident88.2Confident4 Ų447.8 Ų47.82%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-77.2110.1177.1-168.7-82.4000108.9F164 A166 N167 R182 V183 A259 L263F164-Y170 HydrophobicContact CB-CD1 4.28Å; F164-Y170 HydrophobicContact CB-CE1 3.33Å; F164-Y170 HydrophobicContact CB-CE2 4.46Å; F164-Y170 VanDerWaalsContact CB-CZ 3.44Å; F164-Y170 WeakPolarHBondContact CB-OH 3.17Å; F164-Y170 AromaticContact CD1-CE1 3.82Å; F164-Y170 HydrophobicContact CD1-CE1 3.82Å; F164-Y170 HydrophobicContact CD2-CE1 4.21Å; F164-Y170 VanDerWaalsContact CD2-OH 3.28Å; F164-Y170 WeakPolarHBondContact CD2-OH 3.2Å; F164-Y170 AromaticContact CG-CE1 3.53Å; F164-Y170 HydrophobicContact CG-CE1 3.53Å; F164-Y170 AromaticContact CG-CZ 3.83Å; F164-Y170 WeakPolarHBondContact CG-OH 3.11Å; A166-Y170 HydrophobicContact CB-CD2 4.19Å; A166-Y170 HydrophobicContact CB-CE2 3.78Å; N167-Y170 VanDerWaalsContact O-CA 3.27Å; N167-Y170 WeakPolarHBondContact O-CA 3.33Å; N167-Y170 PolarHBondContact O-N 2.84Å; N167-Y170 VanDerWaalsContact O-N 3.07Å; Y170-R182 CarbonylContact O-C 3.52Å; Y170-R182 WeakPolarHBondContact O-CA 3.37Å; Y170-V183 HydrophobicContact CD1-CG2 4.44Å; Y170-V183 PolarHBondContact N-O 3.01Å; Y170-V183 PolarHBondContact O-N 2.82Å; Y170-A259 HydrophobicContact CD1-CB 3.98Å; Y170-A259 HydrophobicContact CE1-CB 3.6Å; Y170-L263 HydrophobicContact CD2-CD2 3.79Å; Y170-L263 HydrophobicContact CD2-CG 4.19Å; Y170-L263 HydrophobicContact CE2-CD2 4.4Å; Y170-L263 HydrophobicContact CG-CD1 4.25Å; Y170-L263 HydrophobicContact CG-CD2 4.21Å; Y170-L263 HydrophobicContact CG-CG 4.36Å
171V91Very high88.3Confident33 Ų3344.3 Ų44.320%0.224%0.241CC..EExtended strand (participates in β ladder)trans-98.3132.9-171.9-172.80000110.9F164 V165 P169 H173 P179 R182F164-V171 WeakPolarHBondContact CA-O 3.46Å; V165-V171 PolarHBondContact N-O 2.89Å; V165-V171 PolarHBondContact O-N 3.18Å; P169-V171 HydrophobicContact CG-CG2 4.39Å; P169-V171 WeakPolarHBondContact O-CG2 3.3Å; P169-V171 PolarHBondContact O-N 3.38Å; V171-H173 VanDerWaalsContact CG1-CE1 3.42Å; V171-H173 WeakPolarHBondContact CG1-CE1 3.48Å; V171-P179 HydrophobicContact CG1-CB 3.87Å; V171-R182 HydrophobicContact CG2-CB 4.49Å
172V92.6Very high88.4Confident0 Ų047.2 Ų47.20%025%0.251CS..EExtended strand (participates in β ladder)trans-100.2122.8175.4-174.80000109F164 I180 A181 L255 A259F164-V172 HydrophobicContact CD1-CB 4.2Å; F164-V172 HydrophobicContact CD1-CG1 3.96Å; F164-V172 HydrophobicContact CD1-CG2 3.87Å; F164-V172 HydrophobicContact CE1-CB 4.44Å; F164-V172 HydrophobicContact CE1-CG1 3.83Å; F164-V172 HydrophobicContact CE1-CG2 4.06Å; V172-I180 HydrophobicContact CB-CG1 4.32Å; V172-I180 HydrophobicContact CG1-CD1 4.05Å; V172-I180 HydrophobicContact CG1-CG1 3.95Å; V172-I180 WeakPolarHBondContact O-CG1 3.17Å; V172-I180 PolarHBondContact O-N 2.69Å; V172-A181 HydrophobicContact CB-CB 4.28Å; V172-A181 HydrophobicContact CG2-CB 4.46Å; V172-A181 PolarHBondContact N-O 3.02Å; V172-A181 PolarHBondContact O-N 2.88Å; V172-L255 HydrophobicContact CG1-CB 4.09Å; V172-L255 HydrophobicContact CG1-CD1 4.35Å; V172-A259 HydrophobicContact CG2-CB 4.2Å
173H91.9Very high88.4Confident24 Ų2447.3 Ų47.311%0.11125%0.252CS..EExtended strand (participates in β ladder)trans-108.4145.9175.4-6584.3000110.8G162 Y163 V171 R178G162-H173 WeakPolarHBondContact CA-O 3.19Å; Y163-H173 HydrophobicContact CD1-CB 3.54Å; Y163-H173 HydrophobicContact CE1-CB 3.26Å; Y163-H173 AromaticContact CE1-CG 3.65Å; Y163-H173 HydrophobicContact CE2-CB 4.35Å; Y163-H173 AromaticContact CE2-ND1 3.74Å; Y163-H173 HydrophobicContact CG-CB 4.24Å; Y163-H173 AromaticContact CZ-CG 3.53Å; Y163-H173 AromaticContact CZ-ND1 3.69Å; Y163-H173 PolarHBondContact N-O 2.79Å; Y163-H173 PolarHBondContact O-N 3.06Å; V171-H173 VanDerWaalsContact CG1-CE1 3.42Å; V171-H173 WeakPolarHBondContact CG1-CE1 3.48Å; H173-R178 VanDerWaalsContact CA-O 3.27Å; H173-R178 WeakPolarHBondContact CA-O 3.49Å
174N91.8Very high88.3Confident28 Ų2847.6 Ų47.615%0.1525%0.254CS..EExtended strand (participates in β ladder)trans-80-177.7170.275.7-10.9000111.8D176 N177 R178 I180N174-D176 PolarHBondContact ND2-OD2 2.89Å; N174-D176 PolarHBondContact O-N 2.72Å; N174-D176 WeakPolarHBondContact OD1-CA 3.42Å; N174-D176 PolarHBondContact OD1-N 2.82Å; N174-N177 PolarHBondContact O-N 2.97Å; N174-N177 PolarHBondContact OD1-N 2.77Å; N174-R178 PolarHBondContact N-O 3.05Å; N174-R178 WeakPolarHBondContact OD1-CB 3.48Å; N174-R178 PolarHBondContact OD1-N 2.87Å; N174-R178 PolarHBondContact OD1-O 2.81Å; N174-I180 HydrophobicContact CB-CD1 4.04Å; N174-I180 HydrophobicContact CB-CG2 3.75Å
175A91Very high87.9Confident41 Ų4150.5 Ų50.534%0.33927%0.265SS..THydrogen-bonded Turntrans-62.3-23177.200000114.2Y160 L161 N177Y160-A175 HydrophobicContact CD1-CB 3.88Å; Y160-A175 HydrophobicContact CE1-CB 4.24Å; L161-A175 PolarHBondContact O-N 2.81Å; L161-A175 VanDerWaalsContact O-N 3.16Å; A175-N177 VanDerWaalsContact C-N 3.29Å; A175-N177 PolarHBondContact O-N 2.86Å
176D91.6Very high87.1Confident119 Ų11951.9 Ų51.964%0.63627%0.274SS*.THydrogen-bonded Turntrans-90.113.5178.1-47.8-60.9000113.1N174 R178N174-D176 PolarHBondContact ND2-OD2 2.89Å; N174-D176 PolarHBondContact O-N 2.72Å; N174-D176 WeakPolarHBondContact OD1-CA 3.42Å; N174-D176 PolarHBondContact OD1-N 2.82Å; D176-R178 HydrophobicContact CB-CG 4.32Å; D176-R178 PolarHBondContact O-N 2.86Å
177N88.5Confident86.2Confident83 Ų8354.3 Ų54.344%0.44429%0.289SS..SBendtrans5925.5-175.3-60-23.8000114.7Y163 N174 A175Y163-N177 HydrophobicContact CE1-CB 4.35Å; Y163-N177 VanDerWaalsContact CE1-OD1 3.28Å; Y163-N177 WeakPolarHBondContact CE1-OD1 3.43Å; N174-N177 PolarHBondContact O-N 2.97Å; N174-N177 PolarHBondContact OD1-N 2.77Å; A175-N177 VanDerWaalsContact C-N 3.29Å; A175-N177 PolarHBondContact O-N 2.86Å
178R91.1Very high85.1Confident142 Ų14252.9 Ų52.954%0.53628%0.279SS..  trans-92132.4173.9-62.2-176.9178.2-170-1.6110.1H173 N174 D176 I180H173-R178 VanDerWaalsContact CA-O 3.27Å; H173-R178 WeakPolarHBondContact CA-O 3.49Å; N174-R178 PolarHBondContact N-O 3.05Å; N174-R178 WeakPolarHBondContact OD1-CB 3.48Å; N174-R178 PolarHBondContact OD1-N 2.87Å; N174-R178 PolarHBondContact OD1-O 2.81Å; D176-R178 HydrophobicContact CB-CG 4.32Å; D176-R178 PolarHBondContact O-N 2.86Å; R178-I180 PolarHBondContact O-N 2.9Å
179P91.5Very high84Confident66 Ų6653 Ų5343%0.42928%0.279SS..EExtended strand (participates in β ladder)trans-65.3121171.328-33000108.4V171 E227V171-P179 HydrophobicContact CG1-CB 3.87Å; P179-E227 WeakPolarHBondContact O-CB 3.39Å
180I93.4Very high82.4Confident40 Ų4054.6 Ų54.621%0.20530%0.295CS..EExtended strand (participates in β ladder)trans-108.7-21-179.355.7172.4000112.2V172 N174 R178 S226 E227 M252 L255V172-I180 HydrophobicContact CB-CG1 4.32Å; V172-I180 HydrophobicContact CG1-CD1 4.05Å; V172-I180 HydrophobicContact CG1-CG1 3.95Å; V172-I180 WeakPolarHBondContact O-CG1 3.17Å; V172-I180 PolarHBondContact O-N 2.69Å; N174-I180 HydrophobicContact CB-CD1 4.04Å; N174-I180 HydrophobicContact CB-CG2 3.75Å; R178-I180 PolarHBondContact O-N 2.9Å; I180-S226 WeakPolarHBondContact O-CA 3.31Å; I180-E227 PolarHBondContact O-N 3.2Å; I180-M252 HydrophobicContact CB-CE 4.22Å; I180-M252 HydrophobicContact CD1-CE 4.02Å; I180-M252 HydrophobicContact CD1-SD 3.44Å; I180-M252 WeakPolarHBondContact CD1-SD 3.23Å; I180-M252 HydrophobicContact CG1-CE 3.95Å; I180-M252 HydrophobicContact CG1-SD 4.06Å; I180-L255 HydrophobicContact CD1-CD1 3.91Å
181A94Very high80.4Confident0 Ų058.5 Ų58.50%033%0.328CS..EExtended strand (participates in β ladder)trans-160.9165.5172.800000112.2V172 V225 I233 M252V172-A181 HydrophobicContact CB-CB 4.28Å; V172-A181 HydrophobicContact CG2-CB 4.46Å; V172-A181 PolarHBondContact N-O 3.02Å; V172-A181 PolarHBondContact O-N 2.88Å; A181-V225 CarbonylContact C-O 3.57Å; A181-V225 WeakPolarHBondContact CA-O 3.25Å; A181-V225 WeakPolarHBondContact CB-O 3.41Å; A181-I233 HydrophobicContact CB-CD1 3.77Å; A181-M252 HydrophobicContact CB-CE 3.24Å
182R93.7Very high78.1Confident81 Ų8161.6 Ų61.631%0.30636%0.357SS..EExtended strand (participates in β ladder)trans-133.9148.7168.162.5179168.1-170.5-11.7110.6P169 Y170 V171 I184 C224 V225 E227 S230P169-R182 HydrophobicContact CB-CB 4.3Å; P169-R182 HydrophobicContact CG-CB 4.41Å; Y170-R182 CarbonylContact O-C 3.52Å; Y170-R182 WeakPolarHBondContact O-CA 3.37Å; V171-R182 HydrophobicContact CG2-CB 4.49Å; R182-I184 HydrophobicContact CG-CG1 4.47Å; R182-C224 WeakPolarHBondContact O-CA 3.43Å; R182-V225 HydrophobicContact CG-CG2 3.41Å; R182-V225 VanDerWaalsContact CG-CG2 3.41Å; R182-V225 PolarHBondContact N-O 3.29Å; R182-V225 PolarHBondContact O-N 2.84Å; R182-E227 WeakPolarHBondContact CD-OE1 3.17Å; R182-E227 WeakPolarHBondContact CG-OE1 3.22Å; R182-E227 IonicContact CZ-OE1 2.71Å; R182-E227 IonicContact NE-OE1 3.93Å; R182-E227 PolarHBondContact NE-OE1 2.85Å; R182-E227 IonicContact NH1-OE1 3.76Å; R182-E227 IonicContact NH2-OE1 3.41Å; R182-E227 PolarHBondContact NH2-OE1 2.93Å; R182-S230 PolarHBondContact NH2-OG 2.95Å; R182-S230 VanDerWaalsContact NH2-OG 3.07Å
183V92.2Very high75.5Confident2 Ų264.4 Ų64.41%0.01239%0.386CS..EExtended strand (participates in β ladder)trans-100.6126.4173.5-176.40000109.3P169 Y170 L222 T223 C224 A259 F260 L263P169-V183 WeakPolarHBondContact CB-O 3.28Å; Y170-V183 HydrophobicContact CD1-CG2 4.44Å; Y170-V183 PolarHBondContact N-O 3.01Å; Y170-V183 PolarHBondContact O-N 2.82Å; V183-L222 HydrophobicContact CG1-CB 4.22Å; V183-L222 HydrophobicContact CG1-CD2 4.33Å; V183-T223 CarbonylContact C-O 3.42Å; V183-T223 WeakPolarHBondContact CA-O 3.33Å; V183-C224 HydrophobicContact CG2-CB 4.38Å; V183-A259 HydrophobicContact CG2-CB 4.16Å; V183-F260 HydrophobicContact CB-CE1 4.34Å; V183-F260 HydrophobicContact CG1-CD1 3.99Å; V183-F260 HydrophobicContact CG1-CE1 3.6Å; V183-F260 HydrophobicContact CG2-CD1 4.09Å; V183-F260 HydrophobicContact CG2-CE1 3.84Å; V183-L263 HydrophobicContact CB-CD1 3.91Å; V183-L263 HydrophobicContact CG1-CD1 3.48Å; V183-L263 VanDerWaalsContact CG1-CD1 3.48Å; V183-L263 HydrophobicContact CG2-CD1 4.27Å
184I88.7Confident72.8Confident29 Ų2967.3 Ų67.315%0.14941%0.414CS..EExtended strand (participates in β ladder)trans-107.9129.8-178.2-62.3170.6000108R182 E188 I189 T223 V225R182-I184 HydrophobicContact CG-CG1 4.47Å; I184-E188 HydrophobicContact CG2-CB 4.26Å; I184-I189 HydrophobicContact CG2-CG1 4.34Å; I184-T223 PolarHBondContact N-O 3.03Å; I184-T223 PolarHBondContact O-N 2.96Å; I184-T223 VanDerWaalsContact O-N 3.09Å; I184-V225 HydrophobicContact CD1-CG1 4.02Å; I184-V225 HydrophobicContact CD1-CG2 3.78Å
185R82.9Confident70.1Confident61 Ų6174.9 Ų74.923%0.2345%0.449CS..  trans-88.4143.3170.5-58.8-170-157.8-147.411.4109.7S187 E188 L222 L263 E267R185-S187 PolarHBondContact O-N 2.82Å; R185-E188 PolarHBondContact O-N 2.89Å; R185-L222 HydrophobicContact CG-CD2 3.97Å; R185-L263 VanDerWaalsContact NH2-CD2 3.32Å; R185-E267 IonicContact CZ-OE1 2.82Å; R185-E267 IonicContact NH1-OE1 3.85Å; R185-E267 PolarHBondContact NH1-OE1 3.48Å
186P69.9Low67.3Low49 Ų4982.5 Ų82.532%0.31847%0.474SS..Hα-helixtrans-54.8-21.8-179.3-25.327.8000114.6E188 I189 S221P186-E188 PolarHBondContact O-N 2.86Å; P186-E188 VanDerWaalsContact O-N 3.16Å; P186-I189 PolarHBondContact O-N 2.88Å; P186-S221 WeakPolarHBondContact CD-O 3.25Å; P186-S221 WeakPolarHBondContact CG-O 3.33Å
187S59.1Low64.7Low87 Ų8782.5 Ų82.561%0.60848%0.484SS*.Hα-helixtrans-56.3-24.9173.347.30000113.4R185R185-S187 PolarHBondContact O-N 2.82Å
188E53.6Low62.2Low78 Ų7882.8 Ų82.836%0.36450%0.498SS..Hα-helixtrans-83.5-30.3178.6-66.7-170126.400113.6I184 R185 P186 A190 A191I184-E188 HydrophobicContact CG2-CB 4.26Å; R185-E188 PolarHBondContact O-N 2.89Å; P186-E188 PolarHBondContact O-N 2.86Å; P186-E188 VanDerWaalsContact O-N 3.16Å; E188-A190 VanDerWaalsContact C-N 3.34Å; E188-A190 PolarHBondContact O-N 3.43Å; E188-A191 PolarHBondContact O-N 3.45Å
189I50.3Low59.8Low109 Ų10983.3 Ų83.356%0.55951%0.511SS*.Hα-helixtrans-74.1-30.1-175.8-54.6177000110.9I184 P186 A191I184-I189 HydrophobicContact CG2-CG1 4.34Å; P186-I189 PolarHBondContact O-N 2.88Å; I189-A191 VanDerWaalsContact C-N 3.34Å; I189-A191 PolarHBondContact O-N 2.83Å
190A45.4Very low57.3Low71 Ų7186.3 Ų86.359%0.58753%0.528SS*.Hα-helixtrans-71.9-25.1176.700000113.4E188E188-A190 VanDerWaalsContact C-N 3.34Å; E188-A190 PolarHBondContact O-N 3.43Å
191A44.1Very low54.4Low86 Ų8691.1 Ų91.171%0.71155%0.554SS**Hα-helixtrans-81.7-27.7-178.800000113.2E188 I189E188-A191 PolarHBondContact O-N 3.45Å; I189-A191 VanDerWaalsContact C-N 3.34Å; I189-A191 PolarHBondContact O-N 2.83Å
192A42.7Very low51.7Low98 Ų9897.8 Ų97.881%0.8159%0.589SS**Hα-helixtrans-89.6-16.6-179.400000114.4
193G38.2Very low49.3Very low59 Ų59100.6 Ų100.661%0.60862%0.615SS**Hα-helixtrans-108.8-3.2-174.300000116.7Q195G193-Q195 VanDerWaalsContact C-N 3.29Å; G193-Q195 PolarHBondContact O-N 3.5Å
194A36.1Very low46.5Very low85 Ų85104.3 Ų104.370%0.70265%0.654SS**  trans-84.611.2-17100000115.5
195Q35.1Very low43.8Very low186 Ų186111.9 Ų111.987%0.86969%0.689SS**SBendtrans-116.3114.2166.3-73.5-171.7-17.400108.9G193G193-Q195 VanDerWaalsContact C-N 3.29Å; G193-Q195 PolarHBondContact O-N 3.5Å
196K32.1Very low41.5Very low201 Ų201114.5 Ų114.587%0.87471%0.714SS**SBendtrans107.676166.2-157.6179.5-170.8179.60115.8
197S36.7Very low40Very low119 Ų119117.9 Ų117.983%0.83274%0.736SS**  176.993121.832.70000110.1
198A36Very low38.9Very low90 Ų90119.3 Ų119.374%0.74474%0.743SS**  trans-72.7124.7146.700000106.4
199D39.9Very low37.8Very low153 Ų153123 Ų12382%0.81876%0.764SS**  trans170.5136.8130.6-89.5-24.4000113.1
200V39.8Very low37Very low129 Ų129126.4 Ų126.478%0.78278%0.782SS**  trans8783.1150.3-170.80000118.4
201N31Very low36.3Very low140 Ų140127.7 Ų127.775%0.74979%0.787SS**  32.8136.5111.3-92.5-16.6000122.3
202L38.9Very low35.8Very low140 Ų140129.4 Ų129.473%0.73379%0.794SS**  trans80.3100137.9-66.2158.7000117.9
203T42Very low35.2Very low141 Ų141130.7 Ų130.787%0.86579%0.787SS**  151.2133.4107.745.40000112.1
204G33.1Very low34.8Very low79 Ų79135 Ų13581%0.81480%0.797SS**  trans99.5111.2149.600000118.3
205E32.4Very low34.5Very low189 Ų189138.3 Ų138.388%0.88380%0.802SS**  trans91.7113.3152-141.5175.5151.600118.9
206P34.2Very low34.3Very low116 Ų116133.6 Ų133.675%0.75380%0.803SS**PPolyproline II helixtrans-94.2130.2173.334.3-26.4000111.3
207P40Very low34.8Very low120 Ų120129 Ų12978%0.77980%0.797SS**PPolyproline II helixtrans-85.6138.316529.4-23.4000110.5
208P35.5Very low35.4Very low117 Ų117128.2 Ų128.276%0.7679%0.787SS**PPolyproline II helixtrans-85.1138.1-17333.1-32.6000113.4
209L30.5Very low36.6Very low154 Ų154127.5 Ų127.581%0.80678%0.777SS**  trans33107132.5-57.1173.9000118.6
210L34.3Very low38.2Very low181 Ų181122.3 Ų122.395%0.94875%0.748SS**  -144.7104.4127-84.3-177000109.6
211S29Very low40.4Very low99 Ų99118.1 Ų118.169%0.69273%0.725SS**  trans-64.1135.6161.75.10000109.9
212S34.1Very low43.3Very low122 Ų122111.6 Ų111.685%0.85369%0.69SS**  trans-137.5114.1147-172.80000107.8
213D30.2Very low46Very low124 Ų124106.5 Ų106.566%0.66367%0.665SS**  trans-65.1156-177.8-64-55.4000112.8
214N31.1Very low48.5Very low151 Ų15199.8 Ų99.881%0.80762%0.624SS**  trans94.8121.4148.5-58.1-38.4000119.4
215N29.7Very low51.4Low153 Ų15396.6 Ų96.682%0.81859%0.588SS**  trans76.283.7168.6-76.53.7000117.4S217N215-S217 PolarHBondContact O-N 2.67Å
216G29.8Very low54.4Low87 Ų8788.3 Ų88.390%0.89755%0.551SS**  43.326.6126.900000119.3T218G216-T218 PolarHBondContact O-N 3.49Å; G216-T218 VanDerWaalsContact O-N 3.12Å
217S42.2Very low57Low106 Ų10685.4 Ų85.474%0.74153%0.528SS*.  trans-74.6102.7177.4158.70000106.9N215 S219N215-S217 PolarHBondContact O-N 2.67Å; S217-S219 PolarHBondContact O-N 3.42Å
218T50.9Low59.2Low101 Ų10184.7 Ų84.762%0.6252%0.523SS*.  trans-50.4124.9161.232.70000107.6G216 I220G216-T218 PolarHBondContact O-N 3.49Å; G216-T218 VanDerWaalsContact O-N 3.12Å; T218-I220 PolarHBondContact O-N 2.96Å
219S60.8Low61.6Low76 Ų7685.2 Ų85.253%0.53152%0.52SS..  trans-60.9104.617652.20000108.6S217 S221 N238S217-S219 PolarHBondContact O-N 3.42Å; S219-S221 PolarHBondContact O-N 3.44Å; S219-N238 WeakPolarHBondContact CA-OD1 3.38Å; S219-N238 WeakPolarHBondContact CB-ND2 3.29Å; S219-N238 VanDerWaalsContact CB-OD1 3.3Å; S219-N238 WeakPolarHBondContact CB-OD1 3.26Å
220I72.5Confident64.5Low43 Ų4380.6 Ų80.622%0.22150%0.5CS..  trans-78.383175.7-49.4-179.9000107.5T218 L222 L236 D237 N238 I264T218-I220 PolarHBondContact O-N 2.96Å; I220-L222 HydrophobicContact CG2-CD1 4.2Å; I220-L222 HydrophobicContact CG2-CG 4.1Å; I220-L236 HydrophobicContact CG2-CD2 4.42Å; I220-D237 CarbonylContact O-C 3.57Å; I220-N238 PolarHBondContact N-OD1 3.07Å; I220-N238 PolarHBondContact O-OD1 3.37Å; I220-I264 HydrophobicContact CD1-CG2 4.02Å; I220-I264 HydrophobicContact CG2-CG1 4.05Å
221S87.1Confident67.2Low42 Ų4273.5 Ų73.529%0.29447%0.466SS..  trans-101.2127.5163.4171.40000106.6P186 S219 L236 N238P186-S221 WeakPolarHBondContact CD-O 3.25Å; P186-S221 WeakPolarHBondContact CG-O 3.33Å; S219-S221 PolarHBondContact O-N 3.44Å; S221-L236 CarbonylContact C-O 3.33Å; S221-L236 VanDerWaalsContact CA-O 3.31Å; S221-L236 WeakPolarHBondContact CA-O 3.33Å; S221-N238 PolarHBondContact N-OD1 2.74Å
222L92.1Very high70.3Confident2 Ų271.9 Ų71.91%0.0145%0.454CS..EExtended strand (participates in β ladder)trans-129.2140.3176.7-62.5173.6000108.2V183 R185 I220 S235 L236 F260 L263 I264V183-L222 HydrophobicContact CG1-CB 4.22Å; V183-L222 HydrophobicContact CG1-CD2 4.33Å; R185-L222 HydrophobicContact CG-CD2 3.97Å; I220-L222 HydrophobicContact CG2-CD1 4.2Å; I220-L222 HydrophobicContact CG2-CG 4.1Å; L222-S235 CarbonylContact O-C 3.58Å; L222-S235 VanDerWaalsContact O-CA 3.3Å; L222-S235 WeakPolarHBondContact O-CA 3.46Å; L222-L236 HydrophobicContact CB-CB 4.22Å; L222-L236 HydrophobicContact CD1-CD2 4.19Å; L222-L236 PolarHBondContact N-O 2.95Å; L222-L236 PolarHBondContact O-N 3.19Å; L222-F260 HydrophobicContact CB-CD1 4.15Å; L222-F260 HydrophobicContact CB-CE1 3.87Å; L222-F260 HydrophobicContact CB-CZ 4.15Å; L222-F260 HydrophobicContact CD1-CB 4.4Å; L222-F260 HydrophobicContact CD1-CD1 3.99Å; L222-F260 HydrophobicContact CD1-CG 4.26Å; L222-L263 HydrophobicContact CD1-CB 4.02Å; L222-L263 HydrophobicContact CD1-CD1 4.19Å; L222-L263 HydrophobicContact CD2-CD1 4.48Å; L222-I264 HydrophobicContact CD1-CG1 4.38Å
223T94.1Very high73.3Confident33 Ų3366.7 Ų66.720%0.20242%0.416CS..EExtended strand (participates in β ladder)trans-123.6133.6175.2-59.40000109.2V183 I184 V225V183-T223 CarbonylContact C-O 3.42Å; V183-T223 WeakPolarHBondContact CA-O 3.33Å; I184-T223 PolarHBondContact N-O 3.03Å; I184-T223 PolarHBondContact O-N 2.96Å; I184-T223 VanDerWaalsContact O-N 3.09Å; T223-V225 HydrophobicContact CG2-CG1 4.27Å
224C94.7Very high76.5Confident0 Ų060.9 Ų60.90%039%0.385CS..EExtended strand (participates in β ladder)trans-110.7127.1174.3-168.40000109.1R182 V183 I233 A234 V256 F260R182-C224 WeakPolarHBondContact O-CA 3.43Å; V183-C224 HydrophobicContact CG2-CB 4.38Å; C224-I233 HydrophobicContact CB-CG1 4.16Å; C224-I233 VanDerWaalsContact O-CG1 3.3Å; C224-I233 WeakPolarHBondContact O-CG1 3.41Å; C224-I233 PolarHBondContact O-N 3.26Å; C224-A234 HydrophobicContact CB-CB 4.06Å; C224-A234 PolarHBondContact N-O 3.34Å; C224-A234 PolarHBondContact O-N 3.35Å; C224-V256 HydrophobicContact CB-CG1 3.88Å; C224-F260 HydrophobicContact CB-CE1 3.84Å; C224-F260 HydrophobicContact CB-CZ 3.72Å
225V94.9Very high79.5Confident12 Ų1255.5 Ų55.57%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-114.8143.1177.2-59.10000110A181 R182 I184 T223 S231A181-V225 CarbonylContact C-O 3.57Å; A181-V225 WeakPolarHBondContact CA-O 3.25Å; A181-V225 WeakPolarHBondContact CB-O 3.41Å; R182-V225 HydrophobicContact CG-CG2 3.41Å; R182-V225 VanDerWaalsContact CG-CG2 3.41Å; R182-V225 PolarHBondContact N-O 3.29Å; R182-V225 PolarHBondContact O-N 2.84Å; I184-V225 HydrophobicContact CD1-CG1 4.02Å; I184-V225 HydrophobicContact CD1-CG2 3.78Å; T223-V225 HydrophobicContact CG2-CG1 4.27Å; V225-S231 CarbonylContact C-O 3.6Å; V225-S231 WeakPolarHBondContact CA-O 3.48Å
226S94.1Very high82.7Confident16 Ų1648.4 Ų48.411%0.11232%0.322CS..EExtended strand (participates in β ladder)trans-70.6147.6173.9600000111.1I180 S230 S231I180-S226 WeakPolarHBondContact O-CA 3.31Å; S226-S230 WeakPolarHBondContact O-CA 3.44Å; S226-S230 PolarHBondContact O-N 3.17Å; S226-S231 PolarHBondContact N-O 3.16Å; S226-S231 PolarHBondContact OG-N 3.49Å; S226-S231 PolarHBondContact OG-O 2.96Å; S226-S231 PolarHBondContact OG-OG 3.22Å
227E90Very high85.6Confident54 Ų5446.2 Ų46.225%0.25229%0.289SS..THydrogen-bonded Turntrans-105138.9167.2-70.6-62.8152.100109.2P179 I180 R182P179-E227 WeakPolarHBondContact O-CB 3.39Å; I180-E227 PolarHBondContact O-N 3.2Å; R182-E227 WeakPolarHBondContact CD-OE1 3.17Å; R182-E227 WeakPolarHBondContact CG-OE1 3.22Å; R182-E227 IonicContact CZ-OE1 2.71Å; R182-E227 IonicContact NE-OE1 3.93Å; R182-E227 PolarHBondContact NE-OE1 2.85Å; R182-E227 IonicContact NH1-OE1 3.76Å; R182-E227 IonicContact NH2-OE1 3.41Å; R182-E227 PolarHBondContact NH2-OE1 2.93Å
228P85Confident87.9Confident105 Ų10545.8 Ų45.868%0.68228%0.279SS*.THydrogen-bonded Turncis-87.6-11.21.634.8-35.2000114.4S230P228-S230 PolarHBondContact O-N 2.97Å
229D87.6Confident89.7Confident129 Ų12946.8 Ų46.869%0.6928%0.28SS*.THydrogen-bonded Turntrans-68.1-10.4-166.1-61.6-29000114.9S231D229-S231 PolarHBondContact O-N 2.85Å
230S89.6Confident91.2Very high57 Ų5743.9 Ų43.940%0.39926%0.262SS..  trans51.725.3-174.9-65.20000113.6R182 S226 P228R182-S230 PolarHBondContact NH2-OG 2.95Å; R182-S230 VanDerWaalsContact NH2-OG 3.07Å; S226-S230 WeakPolarHBondContact O-CA 3.44Å; S226-S230 PolarHBondContact O-N 3.17Å; P228-S230 PolarHBondContact O-N 2.97Å
231S92.6Very high92.3Very high32 Ų3242.6 Ų42.622%0.22426%0.256CS..  trans-78.7134.8178.481.50000109.6V225 S226 D229 I233V225-S231 CarbonylContact C-O 3.6Å; V225-S231 WeakPolarHBondContact CA-O 3.48Å; S226-S231 PolarHBondContact N-O 3.16Å; S226-S231 PolarHBondContact OG-N 3.49Å; S226-S231 PolarHBondContact OG-O 2.96Å; S226-S231 PolarHBondContact OG-OG 3.22Å; D229-S231 PolarHBondContact O-N 2.85Å; S231-I233 PolarHBondContact O-N 3.23Å; S231-I233 VanDerWaalsContact O-N 3.16Å
232C93.9Very high92.8Very high65 Ų6540.6 Ų40.644%0.43924%0.242SC..EExtended strand (participates in β ladder)trans-65.4117.3177-177.10000109.7
233I96.3Very high93Very high12 Ų1244.5 Ų44.56%0.06226%0.259CS..EExtended strand (participates in β ladder)trans-106.3-23.9179.756.8168.4000112.4A181 C224 S231 Y244 D245 V248 M252 V256A181-I233 HydrophobicContact CB-CD1 3.77Å; C224-I233 HydrophobicContact CB-CG1 4.16Å; C224-I233 VanDerWaalsContact O-CG1 3.3Å; C224-I233 WeakPolarHBondContact O-CG1 3.41Å; C224-I233 PolarHBondContact O-N 3.26Å; S231-I233 PolarHBondContact O-N 3.23Å; S231-I233 VanDerWaalsContact O-N 3.16Å; I233-Y244 CarbonylContact O-C 3.57Å; I233-Y244 WeakPolarHBondContact O-CA 3.32Å; I233-D245 PolarHBondContact O-N 3.15Å; I233-V248 HydrophobicContact CB-CG2 3.73Å; I233-V248 HydrophobicContact CG2-CG2 4.13Å; I233-V248 WeakPolarHBondContact O-CG2 3.08Å; I233-M252 HydrophobicContact CD1-CE 3.27Å; I233-M252 HydrophobicContact CD1-CG 4.3Å; I233-V256 HydrophobicContact CD1-CG2 4.11Å
234A96.7Very high93.2Very high2 Ų243.7 Ų43.72%0.01725%0.252CS..EExtended strand (participates in β ladder)trans-153.3156.3172.600000112.3C224 L242 K243 Y244 V256 F260C224-A234 HydrophobicContact CB-CB 4.06Å; C224-A234 PolarHBondContact N-O 3.34Å; C224-A234 PolarHBondContact O-N 3.35Å; A234-L242 HydrophobicContact CB-CD1 4.36Å; A234-K243 CarbonylContact C-O 3.58Å; A234-K243 WeakPolarHBondContact CA-O 3.4Å; A234-Y244 HydrophobicContact CB-CD1 3.66Å; A234-Y244 HydrophobicContact CB-CE1 3.86Å; A234-Y244 HydrophobicContact CB-CG 4.46Å; A234-V256 HydrophobicContact CB-CG1 3.68Å; A234-F260 HydrophobicContact CB-CE2 4.13Å; A234-F260 HydrophobicContact CB-CZ 4.21Å
235S95.9Very high93.2Very high38 Ų3845.8 Ų45.827%0.26626%0.263SS..EExtended strand (participates in β ladder)trans-141.8144.9170.154.60000110.1L222 L242 K243L222-S235 CarbonylContact O-C 3.58Å; L222-S235 VanDerWaalsContact O-CA 3.3Å; L222-S235 WeakPolarHBondContact O-CA 3.46Å; S235-L242 CarbonylContact O-C 3.56Å; S235-L242 WeakPolarHBondContact O-CA 3.46Å; S235-L242 WeakPolarHBondContact O-CD1 3.47Å; S235-K243 PolarHBondContact N-O 2.8Å; S235-K243 PolarHBondContact O-N 2.81Å
236L95.4Very high93.2Very high5 Ų549 Ų493%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-115.5124.7169.2-18067.1000107.6I92 I220 S221 L222 I241 L242 F260 I264I92-L236 HydrophobicContact CD1-CD1 4.07Å; I220-L236 HydrophobicContact CG2-CD2 4.42Å; S221-L236 CarbonylContact C-O 3.33Å; S221-L236 VanDerWaalsContact CA-O 3.31Å; S221-L236 WeakPolarHBondContact CA-O 3.33Å; L222-L236 HydrophobicContact CB-CB 4.22Å; L222-L236 HydrophobicContact CD1-CD2 4.19Å; L222-L236 PolarHBondContact N-O 2.95Å; L222-L236 PolarHBondContact O-N 3.19Å; L236-I241 WeakPolarHBondContact CA-O 3.1Å; L236-L242 HydrophobicContact CD1-CB 4.2Å; L236-F260 HydrophobicContact CB-CD2 3.78Å; L236-F260 HydrophobicContact CB-CE2 3.78Å; L236-F260 HydrophobicContact CD2-CB 4.5Å; L236-F260 HydrophobicContact CD2-CD2 4.44Å; L236-I264 HydrophobicContact CD2-CD1 3.33Å; L236-I264 HydrophobicContact CD2-CG1 3.89Å
237D92Very high93.1Very high40 Ų4056.9 Ų56.921%0.21432%0.318CS..  trans-93.8170.3175.273.621.1000112.7I220 N239 G240 I241 K243I220-D237 CarbonylContact O-C 3.57Å; D237-N239 PolarHBondContact O-N 2.9Å; D237-N239 WeakPolarHBondContact OD1-CA 3.44Å; D237-N239 WeakPolarHBondContact OD1-CB 3.42Å; D237-N239 PolarHBondContact OD1-N 3.47Å; D237-G240 PolarHBondContact O-N 3.39Å; D237-G240 PolarHBondContact OD1-N 3.24Å; D237-I241 PolarHBondContact N-O 3.06Å; D237-I241 WeakPolarHBondContact OD1-CB 3.37Å; D237-I241 PolarHBondContact OD1-N 2.84Å; D237-I241 WeakPolarHBondContact OD2-CB 3.39Å; D237-K243 IonicContact OD2-NZ 3.49Å
238N89.2Confident93.3Very high97 Ų9754.9 Ų54.952%0.51931%0.31SS..THydrogen-bonded Turntrans-62.3-15.8-179.4-59.8-24.4000113.8S219 I220 S221 G240S219-N238 WeakPolarHBondContact CA-OD1 3.38Å; S219-N238 WeakPolarHBondContact CB-ND2 3.29Å; S219-N238 VanDerWaalsContact CB-OD1 3.3Å; S219-N238 WeakPolarHBondContact CB-OD1 3.26Å; I220-N238 PolarHBondContact N-OD1 3.07Å; I220-N238 PolarHBondContact O-OD1 3.37Å; S221-N238 PolarHBondContact N-OD1 2.74Å; N238-G240 VanDerWaalsContact C-N 3.27Å
239N89.8Confident93.7Very high122 Ų12252 Ų5265%0.65230%0.299SS*.THydrogen-bonded Turntrans-90.96.5178-59.2-36.2000112D237 I241D237-N239 PolarHBondContact O-N 2.9Å; D237-N239 WeakPolarHBondContact OD1-CA 3.44Å; D237-N239 WeakPolarHBondContact OD1-CB 3.42Å; D237-N239 PolarHBondContact OD1-N 3.47Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 HydrophobicContact CB-CG1 4.27Å; N239-I241 PolarHBondContact O-N 2.78Å
240G92Very high94.1Very high15 Ų1548 Ų4816%0.15528%0.277CS..SBendtrans73.315.9-175.300000113.2R91 I92 D237 N238 L242R91-G240 CarbonylContact C-O 3.55Å; R91-G240 WeakPolarHBondContact CA-O 3.46Å; I92-G240 PolarHBondContact N-O 3.2Å; D237-G240 PolarHBondContact O-N 3.39Å; D237-G240 PolarHBondContact OD1-N 3.24Å; N238-G240 VanDerWaalsContact C-N 3.27Å; G240-L242 PolarHBondContact O-N 3.26Å
241I95.5Very high94.2Very high17 Ų1748.5 Ų48.59%0.08727%0.273CS..EExtended strand (participates in β ladder)trans-82.2115.9175.5-54.3-64.1000108.9F90 R91 L104 L236 D237 N239 K243F90-I241 CarbonylContact O-C 3.47Å; F90-I241 WeakPolarHBondContact O-CA 3.35Å; R91-I241 HydrophobicContact CB-CD1 4.17Å; R91-I241 HydrophobicContact CG-CD1 4.32Å; R91-I241 VanDerWaalsContact CZ-CD1 3.46Å; L104-I241 HydrophobicContact CD2-CD1 4.01Å; L104-I241 HydrophobicContact CD2-CG2 4.49Å; L236-I241 WeakPolarHBondContact CA-O 3.1Å; D237-I241 PolarHBondContact N-O 3.06Å; D237-I241 WeakPolarHBondContact OD1-CB 3.37Å; D237-I241 PolarHBondContact OD1-N 2.84Å; D237-I241 WeakPolarHBondContact OD2-CB 3.39Å; N239-I241 VanDerWaalsContact C-N 3.26Å; N239-I241 HydrophobicContact CB-CG1 4.27Å; N239-I241 PolarHBondContact O-N 2.78Å; I241-K243 HydrophobicContact CG2-CD 4.48Å; I241-K243 HydrophobicContact CG2-CG 3.88Å
242L96.9Very high94.2Very high0 Ų048.6 Ų48.60%027%0.271CS..EExtended strand (participates in β ladder)trans-91.1120.3172.1175.854.4000109.3Q89 F90 I92 A234 S235 L236 G240 Y244 L257 F260Q89-L242 CarbonylContact C-O 3.59Å; Q89-L242 VanDerWaalsContact CA-O 3.29Å; Q89-L242 WeakPolarHBondContact CA-O 3.46Å; F90-L242 HydrophobicContact CB-CB 4.46Å; F90-L242 PolarHBondContact N-O 3.27Å; F90-L242 PolarHBondContact O-N 3.07Å; I92-L242 HydrophobicContact CD1-CB 4.35Å; I92-L242 HydrophobicContact CD1-CD2 4.1Å; I92-L242 HydrophobicContact CG1-CB 4.39Å; A234-L242 HydrophobicContact CB-CD1 4.36Å; S235-L242 CarbonylContact O-C 3.56Å; S235-L242 WeakPolarHBondContact O-CA 3.46Å; S235-L242 WeakPolarHBondContact O-CD1 3.47Å; L236-L242 HydrophobicContact CD1-CB 4.2Å; G240-L242 PolarHBondContact O-N 3.26Å; L242-Y244 HydrophobicContact CD1-CE2 4.17Å; L242-Y244 HydrophobicContact CD2-CE2 3.5Å; L242-Y244 WeakPolarHBondContact CD2-OH 3.28Å; L242-Y244 HydrophobicContact CG-CD2 4.15Å; L242-Y244 HydrophobicContact CG-CE2 3.57Å; L242-L257 HydrophobicContact CD2-CD1 3.71Å; L242-F260 HydrophobicContact CD1-CD2 3.52Å; L242-F260 HydrophobicContact CD1-CE2 3.42Å; L242-F260 VanDerWaalsContact CD1-CE2 3.42Å
243K97.2Very high94.3Very high84 Ų8445.6 Ų45.637%0.36525%0.25SS..EExtended strand (participates in β ladder)trans-115.7127.9178-56.4178.4-177.71630109.1T88 Q89 A234 S235 D237 I241T88-K243 CarbonylContact O-C 3.54Å; T88-K243 WeakPolarHBondContact O-CA 3.23Å; Q89-K243 HydrophobicContact CG-CG 4.17Å; A234-K243 CarbonylContact C-O 3.58Å; A234-K243 WeakPolarHBondContact CA-O 3.4Å; S235-K243 PolarHBondContact N-O 2.8Å; S235-K243 PolarHBondContact O-N 2.81Å; D237-K243 IonicContact OD2-NZ 3.49Å; I241-K243 HydrophobicContact CG2-CD 4.48Å; I241-K243 HydrophobicContact CG2-CG 3.88Å
244Y97.6Very high94.3Very high16 Ų1645.7 Ų45.76%0.06325%0.251CS..EExtended strand (participates in β ladder)trans-105148.6172.1-69.7-80000110.8T88 F90 I233 A234 L242 V248 K253 V256 L257T88-Y244 PolarHBondContact O-N 2.95Å; F90-Y244 AromaticContact CD2-CD2 3.85Å; F90-Y244 HydrophobicContact CD2-CD2 3.85Å; F90-Y244 AromaticContact CD2-CE2 3.7Å; F90-Y244 HydrophobicContact CD2-CE2 3.7Å; F90-Y244 AromaticContact CE2-CD2 3.68Å; F90-Y244 HydrophobicContact CE2-CD2 3.68Å; F90-Y244 AromaticContact CE2-CE2 3.74Å; F90-Y244 HydrophobicContact CE2-CE2 3.74Å; I233-Y244 CarbonylContact O-C 3.57Å; I233-Y244 WeakPolarHBondContact O-CA 3.32Å; A234-Y244 HydrophobicContact CB-CD1 3.66Å; A234-Y244 HydrophobicContact CB-CE1 3.86Å; A234-Y244 HydrophobicContact CB-CG 4.46Å; L242-Y244 HydrophobicContact CD1-CE2 4.17Å; L242-Y244 HydrophobicContact CD2-CE2 3.5Å; L242-Y244 WeakPolarHBondContact CD2-OH 3.28Å; L242-Y244 HydrophobicContact CG-CD2 4.15Å; L242-Y244 HydrophobicContact CG-CE2 3.57Å; Y244-V248 HydrophobicContact CD1-CG1 4.21Å; Y244-K253 HydrophobicContact CD1-CB 4.43Å; Y244-K253 HydrophobicContact CD1-CG 3.75Å; Y244-K253 HydrophobicContact CD2-CD 4.29Å; Y244-K253 HydrophobicContact CD2-CG 4.15Å; Y244-K253 HydrophobicContact CE1-CB 3.95Å; Y244-K253 HydrophobicContact CE1-CG 3.79Å; Y244-K253 HydrophobicContact CE2-CB 4.29Å; Y244-K253 HydrophobicContact CE2-CG 4.16Å; Y244-K253 HydrophobicContact CG-CD 4.31Å; Y244-K253 HydrophobicContact CG-CG 3.91Å; Y244-K253 PolarHBondContact OH-O 2.93Å; Y244-V256 HydrophobicContact CE1-CB 4.1Å; Y244-V256 HydrophobicContact CE1-CG1 4.03Å; Y244-L257 WeakPolarHBondContact OH-CB 3.17Å; Y244-L257 PolarHBondContact OH-N 3.13Å
245D95.8Very high94.1Very high44 Ų4445.6 Ų45.624%0.23525%0.25CS..  trans-63.4142.2161.4-177.9-64.8000109.4I233 R247 V248I233-D245 PolarHBondContact O-N 3.15Å; D245-R247 PolarHBondContact O-N 3.38Å; D245-R247 VanDerWaalsContact O-N 3.13Å; D245-R247 VanDerWaalsContact OD1-CB 3.23Å; D245-R247 WeakPolarHBondContact OD1-CB 3.39Å; D245-R247 VanDerWaalsContact OD1-CG 3.29Å; D245-R247 WeakPolarHBondContact OD1-CG 3.29Å; D245-R247 IonicContact OD1-CZ 2.86Å; D245-R247 PolarHBondContact OD1-N 3.4Å; D245-R247 IonicContact OD1-NE 3.82Å; D245-R247 PolarHBondContact OD1-NE 2.9Å; D245-R247 IonicContact OD1-NH2 3.15Å; D245-R247 IonicContact OD2-CZ 2.8Å; D245-R247 IonicContact OD2-NE 3.68Å; D245-R247 PolarHBondContact OD2-NE 3.13Å; D245-R247 IonicContact OD2-NH2 3.71Å; D245-R247 PolarHBondContact OD2-NH2 3.12Å; D245-V248 HydrophobicContact CB-CG2 3.94Å; D245-V248 WeakPolarHBondContact O-CB 3.47Å; D245-V248 WeakPolarHBondContact O-CG2 3.42Å; D245-V248 PolarHBondContact O-N 2.9Å; D245-V248 VanDerWaalsContact O-N 3.13Å
246A93.6Very high94.1Very high79 Ų7943.9 Ų43.965%0.65324%0.238SC*.THydrogen-bonded Turntrans-61.8-21.7-175.900000113.5T88 V248T88-A246 HydrophobicContact CG2-CB 4.17Å; A246-V248 VanDerWaalsContact C-N 3.32Å
247R93Very high94.1Very high182 Ų18244 Ų4469%0.68724%0.238SC*.THydrogen-bonded Turntrans-81-10.8-179.6-58.9170.7-69.61623.5113.3D245 G249D245-R247 PolarHBondContact O-N 3.38Å; D245-R247 VanDerWaalsContact O-N 3.13Å; D245-R247 VanDerWaalsContact OD1-CB 3.23Å; D245-R247 WeakPolarHBondContact OD1-CB 3.39Å; D245-R247 VanDerWaalsContact OD1-CG 3.29Å; D245-R247 WeakPolarHBondContact OD1-CG 3.29Å; D245-R247 IonicContact OD1-CZ 2.86Å; D245-R247 PolarHBondContact OD1-N 3.4Å; D245-R247 IonicContact OD1-NE 3.82Å; D245-R247 PolarHBondContact OD1-NE 2.9Å; D245-R247 IonicContact OD1-NH2 3.15Å; D245-R247 IonicContact OD2-CZ 2.8Å; D245-R247 IonicContact OD2-NE 3.68Å; D245-R247 PolarHBondContact OD2-NE 3.13Å; D245-R247 IonicContact OD2-NH2 3.71Å; D245-R247 PolarHBondContact OD2-NH2 3.12Å; R247-G249 PolarHBondContact O-N 3.12Å
248V93.8Very high94.2Very high12 Ų1242.1 Ų42.17%0.07323%0.228CC..  trans-76.1117.1-174.2-173.80000110.3I233 Y244 D245 A246 M252 K253I233-V248 HydrophobicContact CB-CG2 3.73Å; I233-V248 HydrophobicContact CG2-CG2 4.13Å; I233-V248 WeakPolarHBondContact O-CG2 3.08Å; Y244-V248 HydrophobicContact CD1-CG1 4.21Å; D245-V248 HydrophobicContact CB-CG2 3.94Å; D245-V248 WeakPolarHBondContact O-CB 3.47Å; D245-V248 WeakPolarHBondContact O-CG2 3.42Å; D245-V248 PolarHBondContact O-N 2.9Å; D245-V248 VanDerWaalsContact O-N 3.13Å; A246-V248 VanDerWaalsContact C-N 3.32Å; V248-M252 HydrophobicContact CG1-CB 3.63Å; V248-M252 HydrophobicContact CG1-CG 3.63Å; V248-K253 HydrophobicContact CB-CG 4.26Å; V248-K253 HydrophobicContact CG1-CG 3.75Å; V248-K253 WeakPolarHBondContact O-CE 3.48Å
249G94Very high94.3Very high44 Ų4437.5 Ų37.545%0.45420%0.204SC..  trans-68.3165.5176.200000113.7R247 Q251 M252 K253R247-G249 PolarHBondContact O-N 3.12Å; G249-Q251 PolarHBondContact O-N 2.89Å; G249-M252 PolarHBondContact O-N 3.41Å; G249-K253 WeakPolarHBondContact O-CG 3.47Å; G249-K253 PolarHBondContact O-N 3.23Å
250L94.4Very high94.5Very high44 Ų4431.7 Ų31.723%0.2317%0.173CC..Hα-helixtrans-56.8-48.2-174.8177.963.1000113.5L81 I84 A85 M252 K253 L254L81-L250 HydrophobicContact CB-CD2 4.08Å; L81-L250 HydrophobicContact CD2-CD1 4.36Å; L81-L250 HydrophobicContact CD2-CD2 4.48Å; I84-L250 HydrophobicContact CB-CD1 4.11Å; I84-L250 HydrophobicContact CG2-CD1 3.72Å; A85-L250 HydrophobicContact CB-CB 4.1Å; A85-L250 HydrophobicContact CB-CD1 4.35Å; L250-M252 VanDerWaalsContact C-N 3.32Å; L250-M252 PolarHBondContact O-N 2.8Å; L250-K253 WeakPolarHBondContact O-CB 3.4Å; L250-K253 PolarHBondContact O-N 3.29Å; L250-K253 VanDerWaalsContact O-N 3.17Å; L250-L254 HydrophobicContact CD1-CD1 4.27Å; L250-L254 HydrophobicContact CD1-CG 4.22Å; L250-L254 HydrophobicContact CG-CD1 4.2Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 2.79Å
251Q92.7Very high94.5Very high69 Ų6931 Ų3132%0.32217%0.165SC..Hα-helixtrans-59.5-45-179.3-178.3179.8-5.700111.2G249 K253 L254 L255G249-Q251 PolarHBondContact O-N 2.89Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; Q251-K253 PolarHBondContact O-N 3.48Å; Q251-L254 PolarHBondContact O-N 3.03Å; Q251-L255 HydrophobicContact CG-CD1 4.27Å; Q251-L255 WeakPolarHBondContact O-CG 3.35Å; Q251-L255 PolarHBondContact O-N 3.48Å
252M93.3Very high94.2Very high33 Ų3331.7 Ų31.716%0.16317%0.167CC..Hα-helixtrans-64.7-39.5177.3-16962.3171.700111.6I180 A181 I233 V248 G249 L250 L254 L255 V256I180-M252 HydrophobicContact CB-CE 4.22Å; I180-M252 HydrophobicContact CD1-CE 4.02Å; I180-M252 HydrophobicContact CD1-SD 3.44Å; I180-M252 WeakPolarHBondContact CD1-SD 3.23Å; I180-M252 HydrophobicContact CG1-CE 3.95Å; I180-M252 HydrophobicContact CG1-SD 4.06Å; A181-M252 HydrophobicContact CB-CE 3.24Å; I233-M252 HydrophobicContact CD1-CE 3.27Å; I233-M252 HydrophobicContact CD1-CG 4.3Å; V248-M252 HydrophobicContact CG1-CB 3.63Å; V248-M252 HydrophobicContact CG1-CG 3.63Å; G249-M252 PolarHBondContact O-N 3.41Å; L250-M252 VanDerWaalsContact C-N 3.32Å; L250-M252 PolarHBondContact O-N 2.8Å; M252-L254 PolarHBondContact O-N 2.93Å; M252-L255 PolarHBondContact O-N 3.26Å; M252-V256 HydrophobicContact CE-CG2 4.08Å; M252-V256 HydrophobicContact CG-CG2 4.34Å; M252-V256 WeakPolarHBondContact O-CB 3.41Å; M252-V256 VanDerWaalsContact O-CG2 3.26Å; M252-V256 WeakPolarHBondContact O-CG2 3.4Å; M252-V256 PolarHBondContact O-N 3.39Å; M252-V256 HydrophobicContact SD-CG2 4.32Å
253K95.5Very high93.7Very high2 Ų231.8 Ų31.81%0.00917%0.167CC..Hα-helixtrans-56.8-50.1172.1-72.4179.5173.1171.20111I84 A85 A87 Y244 V248 G249 L250 Q251 L255 V256 L257I84-K253 HydrophobicContact CG2-CD 4.42Å; I84-K253 WeakPolarHBondContact O-CD 3.28Å; I84-K253 PolarHBondContact O-NZ 3.16Å; A85-K253 PolarHBondContact O-NZ 2.76Å; A87-K253 PolarHBondContact O-NZ 2.76Å; Y244-K253 HydrophobicContact CD1-CB 4.43Å; Y244-K253 HydrophobicContact CD1-CG 3.75Å; Y244-K253 HydrophobicContact CD2-CD 4.29Å; Y244-K253 HydrophobicContact CD2-CG 4.15Å; Y244-K253 HydrophobicContact CE1-CB 3.95Å; Y244-K253 HydrophobicContact CE1-CG 3.79Å; Y244-K253 HydrophobicContact CE2-CB 4.29Å; Y244-K253 HydrophobicContact CE2-CG 4.16Å; Y244-K253 HydrophobicContact CG-CD 4.31Å; Y244-K253 HydrophobicContact CG-CG 3.91Å; Y244-K253 PolarHBondContact OH-O 2.93Å; V248-K253 HydrophobicContact CB-CG 4.26Å; V248-K253 HydrophobicContact CG1-CG 3.75Å; V248-K253 WeakPolarHBondContact O-CE 3.48Å; G249-K253 WeakPolarHBondContact O-CG 3.47Å; G249-K253 PolarHBondContact O-N 3.23Å; L250-K253 WeakPolarHBondContact O-CB 3.4Å; L250-K253 PolarHBondContact O-N 3.29Å; L250-K253 VanDerWaalsContact O-N 3.17Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; Q251-K253 PolarHBondContact O-N 3.48Å; K253-L255 PolarHBondContact O-N 3.41Å; K253-V256 PolarHBondContact O-N 3.17Å; K253-L257 VanDerWaalsContact O-CB 3.25Å; K253-L257 WeakPolarHBondContact O-CB 3.34Å; K253-L257 PolarHBondContact O-N 3.32Å
254L95.3Very high93.2Very high14 Ų1428.9 Ų28.97%0.07316%0.156CC..Hα-helixtrans-63.7-41.7-178.6-66.7175.2000112.7L81 L110 V132 L250 Q251 M252 L257 M258L81-L254 HydrophobicContact CD2-CD1 4.48Å; L110-L254 HydrophobicContact CD1-CD2 4.4Å; V132-L254 HydrophobicContact CG1-CD1 3.94Å; V132-L254 HydrophobicContact CG1-CD2 4.37Å; L250-L254 HydrophobicContact CD1-CD1 4.27Å; L250-L254 HydrophobicContact CD1-CG 4.22Å; L250-L254 HydrophobicContact CG-CD1 4.2Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 2.79Å; Q251-L254 PolarHBondContact O-N 3.03Å; M252-L254 PolarHBondContact O-N 2.93Å; L254-L257 PolarHBondContact O-N 3.01Å; L254-M258 PolarHBondContact O-N 2.84Å; L254-M258 VanDerWaalsContact O-N 3.09Å
255L94.2Very high92.6Very high1 Ų129 Ų291%0.00516%0.158CC..Hα-helixtrans-62.6-50.1175.9-72.7171.9000111.6V153 L161 F164 V172 I180 Q251 M252 K253 L257 M258 A259V153-L255 HydrophobicContact CB-CD2 3.92Å; V153-L255 HydrophobicContact CG1-CD2 3.74Å; V153-L255 HydrophobicContact CG2-CD2 3.99Å; L161-L255 HydrophobicContact CB-CD2 4.49Å; F164-L255 HydrophobicContact CE1-CB 4.32Å; F164-L255 HydrophobicContact CE1-CD2 4.21Å; F164-L255 WeakPolarHBondContact CE1-O 3.48Å; F164-L255 HydrophobicContact CZ-CD2 4.19Å; F164-L255 VanDerWaalsContact CZ-O 3.28Å; F164-L255 WeakPolarHBondContact CZ-O 3.27Å; V172-L255 HydrophobicContact CG1-CB 4.09Å; V172-L255 HydrophobicContact CG1-CD1 4.35Å; I180-L255 HydrophobicContact CD1-CD1 3.91Å; Q251-L255 HydrophobicContact CG-CD1 4.27Å; Q251-L255 WeakPolarHBondContact O-CG 3.35Å; Q251-L255 PolarHBondContact O-N 3.48Å; M252-L255 PolarHBondContact O-N 3.26Å; K253-L255 PolarHBondContact O-N 3.41Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 2.86Å; L255-M258 PolarHBondContact O-N 3.23Å; L255-A259 PolarHBondContact O-N 3.16Å
256V94.2Very high91.8Very high1 Ų130.7 Ų30.71%0.00617%0.165CC..Hα-helixtrans-65.3-37.6179.7172.70000111.7C224 I233 A234 Y244 M252 K253 M258 A259 F260C224-V256 HydrophobicContact CB-CG1 3.88Å; I233-V256 HydrophobicContact CD1-CG2 4.11Å; A234-V256 HydrophobicContact CB-CG1 3.68Å; Y244-V256 HydrophobicContact CE1-CB 4.1Å; Y244-V256 HydrophobicContact CE1-CG1 4.03Å; M252-V256 HydrophobicContact CE-CG2 4.08Å; M252-V256 HydrophobicContact CG-CG2 4.34Å; M252-V256 WeakPolarHBondContact O-CB 3.41Å; M252-V256 VanDerWaalsContact O-CG2 3.26Å; M252-V256 WeakPolarHBondContact O-CG2 3.4Å; M252-V256 PolarHBondContact O-N 3.39Å; M252-V256 HydrophobicContact SD-CG2 4.32Å; K253-V256 PolarHBondContact O-N 3.17Å; V256-M258 VanDerWaalsContact C-N 3.33Å; V256-M258 PolarHBondContact O-N 3.38Å; V256-A259 PolarHBondContact O-N 3.13Å; V256-F260 HydrophobicContact CG1-CD2 4.48Å; V256-F260 HydrophobicContact CG1-CE1 4.31Å; V256-F260 HydrophobicContact CG1-CE2 4.22Å; V256-F260 HydrophobicContact CG1-CZ 4.15Å; V256-F260 PolarHBondContact O-N 3.13Å
257L95.5Very high90.5Very high7 Ų730 Ų304%0.03715%0.148CC..Hα-helixtrans-56.5-49.5173.5172.462.8000110.4I92 V101 L110 I112 L242 Y244 K253 L254 L255 F260 V261I92-L257 HydrophobicContact CD1-CD1 3.86Å; I92-L257 HydrophobicContact CG1-CD1 4.33Å; V101-L257 HydrophobicContact CG2-CD1 3.92Å; V101-L257 HydrophobicContact CG2-CD2 4.1Å; L110-L257 HydrophobicContact CD1-CD2 3.72Å; I112-L257 HydrophobicContact CD1-CD2 4.3Å; I112-L257 HydrophobicContact CD1-CG 4.39Å; L242-L257 HydrophobicContact CD2-CD1 3.71Å; Y244-L257 WeakPolarHBondContact OH-CB 3.17Å; Y244-L257 PolarHBondContact OH-N 3.13Å; K253-L257 VanDerWaalsContact O-CB 3.25Å; K253-L257 WeakPolarHBondContact O-CB 3.34Å; K253-L257 PolarHBondContact O-N 3.32Å; L254-L257 PolarHBondContact O-N 3.01Å; L255-L257 VanDerWaalsContact C-N 3.34Å; L255-L257 PolarHBondContact O-N 2.86Å; L257-F260 PolarHBondContact O-N 2.72Å; L257-V261 HydrophobicContact CD1-CG2 4.11Å; L257-V261 HydrophobicContact CG-CG2 4.49Å; L257-V261 WeakPolarHBondContact O-CB 3.44Å; L257-V261 VanDerWaalsContact O-CG2 3.3Å; L257-V261 WeakPolarHBondContact O-CG2 3.37Å; L257-V261 PolarHBondContact O-N 3.49Å
258M94.2Very high89Confident2 Ų225.6 Ų25.61%0.0115%0.145CC..Hα-helixtrans-67-37.4179.8-77.8-50.3-65.800113.1I112 W123 V125 L133 V135 F164 L254 L255 V256 F260 V261 R262I112-M258 HydrophobicContact CD1-SD 4.36Å; I112-M258 HydrophobicContact CG2-CE 4.34Å; I112-M258 HydrophobicContact CG2-SD 4.16Å; W123-M258 HydrophobicContact CB-CE 3.72Å; W123-M258 HydrophobicContact CG-CE 4.12Å; V125-M258 HydrophobicContact CG2-CE 4.29Å; V125-M258 HydrophobicContact CG2-CG 4.03Å; V125-M258 HydrophobicContact CG2-SD 3.25Å; V125-M258 WeakPolarHBondContact CG2-SD 3.37Å; L133-M258 HydrophobicContact CD2-CB 4.37Å; L133-M258 HydrophobicContact CD2-CG 3.35Å; L133-M258 HydrophobicContact CD2-SD 4.5Å; V135-M258 HydrophobicContact CB-CE 4.01Å; V135-M258 HydrophobicContact CG2-CB 4.23Å; V135-M258 HydrophobicContact CG2-CE 3.55Å; V135-M258 HydrophobicContact CG2-CG 3.84Å; V135-M258 HydrophobicContact CG2-SD 4.4Å; F164-M258 HydrophobicContact CE2-CB 4.07Å; F164-M258 HydrophobicContact CZ-CB 3.88Å; L254-M258 PolarHBondContact O-N 2.84Å; L254-M258 VanDerWaalsContact O-N 3.09Å; L255-M258 PolarHBondContact O-N 3.23Å; V256-M258 VanDerWaalsContact C-N 3.33Å; V256-M258 PolarHBondContact O-N 3.38Å; M258-F260 PolarHBondContact O-N 2.84Å; M258-V261 PolarHBondContact O-N 2.76Å; M258-R262 VanDerWaalsContact O-CB 3.29Å; M258-R262 WeakPolarHBondContact O-CB 3.48Å; M258-R262 PolarHBondContact O-N 2.91Å
259A92.8Very high87.1Confident0 Ų026.4 Ų26.40%015%0.151CC..Hα-helixtrans-58.2-47.8172.900000111.2F164 Y170 V172 V183 L255 V256 R262 L263F164-A259 HydrophobicContact CD1-CB 4.3Å; F164-A259 HydrophobicContact CE1-CB 4.04Å; F164-A259 HydrophobicContact CZ-CB 4.42Å; Y170-A259 HydrophobicContact CD1-CB 3.98Å; Y170-A259 HydrophobicContact CE1-CB 3.6Å; V172-A259 HydrophobicContact CG2-CB 4.2Å; V183-A259 HydrophobicContact CG2-CB 4.16Å; L255-A259 PolarHBondContact O-N 3.16Å; V256-A259 PolarHBondContact O-N 3.13Å; A259-R262 PolarHBondContact O-N 2.79Å; A259-L263 WeakPolarHBondContact O-CG 3.29Å; A259-L263 PolarHBondContact O-N 3.42Å
260F93Very high84.9Confident0 Ų029.9 Ų29.90%016%0.163CC..Hα-helixtrans-63.4-47.3176.5-75-1.8000112.5V183 L222 C224 A234 L236 L242 V256 L257 M258 R262 L263 I264V183-F260 HydrophobicContact CB-CE1 4.34Å; V183-F260 HydrophobicContact CG1-CD1 3.99Å; V183-F260 HydrophobicContact CG1-CE1 3.6Å; V183-F260 HydrophobicContact CG2-CD1 4.09Å; V183-F260 HydrophobicContact CG2-CE1 3.84Å; L222-F260 HydrophobicContact CB-CD1 4.15Å; L222-F260 HydrophobicContact CB-CE1 3.87Å; L222-F260 HydrophobicContact CB-CZ 4.15Å; L222-F260 HydrophobicContact CD1-CB 4.4Å; L222-F260 HydrophobicContact CD1-CD1 3.99Å; L222-F260 HydrophobicContact CD1-CG 4.26Å; C224-F260 HydrophobicContact CB-CE1 3.84Å; C224-F260 HydrophobicContact CB-CZ 3.72Å; A234-F260 HydrophobicContact CB-CE2 4.13Å; A234-F260 HydrophobicContact CB-CZ 4.21Å; L236-F260 HydrophobicContact CB-CD2 3.78Å; L236-F260 HydrophobicContact CB-CE2 3.78Å; L236-F260 HydrophobicContact CD2-CB 4.5Å; L236-F260 HydrophobicContact CD2-CD2 4.44Å; L242-F260 HydrophobicContact CD1-CD2 3.52Å; L242-F260 HydrophobicContact CD1-CE2 3.42Å; L242-F260 VanDerWaalsContact CD1-CE2 3.42Å; V256-F260 HydrophobicContact CG1-CD2 4.48Å; V256-F260 HydrophobicContact CG1-CE1 4.31Å; V256-F260 HydrophobicContact CG1-CE2 4.22Å; V256-F260 HydrophobicContact CG1-CZ 4.15Å; V256-F260 PolarHBondContact O-N 3.13Å; L257-F260 PolarHBondContact O-N 2.72Å; M258-F260 PolarHBondContact O-N 2.84Å; F260-R262 VanDerWaalsContact C-N 3.25Å; F260-R262 PolarHBondContact O-N 3Å; F260-L263 PolarHBondContact O-N 2.86Å; F260-I264 VanDerWaalsContact O-CD1 3.29Å; F260-I264 WeakPolarHBondContact O-CD1 3.13Å; F260-I264 WeakPolarHBondContact O-CG1 3.23Å; F260-I264 PolarHBondContact O-N 2.93Å
261V92.2Very high82.3Confident0 Ų035.3 Ų35.30%019%0.192CC..Hα-helixtrans-57-42.4177.41650000111.1I92 I99 I112 W123 L257 M258 T265I92-V261 HydrophobicContact CD1-CG2 4.44Å; I99-V261 HydrophobicContact CD1-CG1 3.64Å; I99-V261 HydrophobicContact CG2-CG2 4.33Å; I112-V261 HydrophobicContact CD1-CG2 3.79Å; I112-V261 HydrophobicContact CG2-CG1 4.16Å; W123-V261 HydrophobicContact CZ3-CG1 4.33Å; L257-V261 HydrophobicContact CD1-CG2 4.11Å; L257-V261 HydrophobicContact CG-CG2 4.49Å; L257-V261 WeakPolarHBondContact O-CB 3.44Å; L257-V261 VanDerWaalsContact O-CG2 3.3Å; L257-V261 WeakPolarHBondContact O-CG2 3.37Å; L257-V261 PolarHBondContact O-N 3.49Å; M258-V261 PolarHBondContact O-N 2.76Å; V261-T265 WeakPolarHBondContact O-CB 3.2Å; V261-T265 VanDerWaalsContact O-CG2 3.23Å; V261-T265 WeakPolarHBondContact O-CG2 3.18Å; V261-T265 PolarHBondContact O-N 3.4Å; V261-T265 VanDerWaalsContact O-N 3.07Å; V261-T265 PolarHBondContact O-OG1 2.88Å
262R88.8Confident80.3Confident32 Ų3234.8 Ų34.812%0.12120%0.196CC..Hα-helixtrans-65.8-39.4178.9-175.855.2-17865.99.7112.6D137 I151 M258 A259 F260 T265 E266D137-R262 IonicContact OD1-CZ 3.94Å; D137-R262 IonicContact OD1-NE 3.46Å; D137-R262 IonicContact OD1-NH2 3.31Å; D137-R262 PolarHBondContact OD1-NH2 3.39Å; D137-R262 IonicContact OD2-CZ 3.95Å; D137-R262 IonicContact OD2-NE 2.69Å; D137-R262 PolarHBondContact OD2-NE 2.84Å; D137-R262 IonicContact OD2-NH2 3.2Å; D137-R262 PolarHBondContact OD2-NH2 3.39Å; I151-R262 HydrophobicContact CD1-CG 4.02Å; M258-R262 VanDerWaalsContact O-CB 3.29Å; M258-R262 WeakPolarHBondContact O-CB 3.48Å; M258-R262 PolarHBondContact O-N 2.91Å; A259-R262 PolarHBondContact O-N 2.79Å; F260-R262 VanDerWaalsContact C-N 3.25Å; F260-R262 PolarHBondContact O-N 3Å; R262-T265 WeakPolarHBondContact CA-OG1 3.24Å; R262-T265 PolarHBondContact O-OG1 3.27Å; R262-E266 IonicContact CZ-OE2 2.79Å; R262-E266 IonicContact NH1-OE2 2.75Å; R262-E266 PolarHBondContact NH1-OE2 3.37Å; R262-E266 WeakPolarHBondContact O-CB 3.08Å; R262-E266 PolarHBondContact O-N 2.82Å; R262-E266 VanDerWaalsContact O-N 3.1Å
263L87.6Confident78.3Confident2 Ų236.7 Ų36.71%0.0121%0.209CC..Hα-helixtrans-67.3-45.9176.8-73.3167.7000112.3Y170 V183 R185 L222 A259 F260 T265 E266 E267Y170-L263 HydrophobicContact CD2-CD2 3.79Å; Y170-L263 HydrophobicContact CD2-CG 4.19Å; Y170-L263 HydrophobicContact CE2-CD2 4.4Å; Y170-L263 HydrophobicContact CG-CD1 4.25Å; Y170-L263 HydrophobicContact CG-CD2 4.21Å; Y170-L263 HydrophobicContact CG-CG 4.36Å; V183-L263 HydrophobicContact CB-CD1 3.91Å; V183-L263 HydrophobicContact CG1-CD1 3.48Å; V183-L263 VanDerWaalsContact CG1-CD1 3.48Å; V183-L263 HydrophobicContact CG2-CD1 4.27Å; R185-L263 VanDerWaalsContact NH2-CD2 3.32Å; L222-L263 HydrophobicContact CD1-CB 4.02Å; L222-L263 HydrophobicContact CD1-CD1 4.19Å; L222-L263 HydrophobicContact CD2-CD1 4.48Å; A259-L263 WeakPolarHBondContact O-CG 3.29Å; A259-L263 PolarHBondContact O-N 3.42Å; F260-L263 PolarHBondContact O-N 2.86Å; L263-T265 VanDerWaalsContact C-N 3.29Å; L263-T265 PolarHBondContact O-N 2.86Å; L263-E266 WeakPolarHBondContact O-CB 3.3Å; L263-E266 PolarHBondContact O-N 3.14Å; L263-E267 PolarHBondContact O-N 3.18Å
264I86.8Confident76.1Confident23 Ų2340.7 Ų40.712%0.11824%0.238CC..Hα-helixtrans-60.4-41.3178.3-62.2156.6000111.1I92 I220 L222 L236 F260 S268I92-I264 HydrophobicContact CD1-CD1 4.44Å; I220-I264 HydrophobicContact CD1-CG2 4.02Å; I220-I264 HydrophobicContact CG2-CG1 4.05Å; L222-I264 HydrophobicContact CD1-CG1 4.38Å; L236-I264 HydrophobicContact CD2-CD1 3.33Å; L236-I264 HydrophobicContact CD2-CG1 3.89Å; F260-I264 VanDerWaalsContact O-CD1 3.29Å; F260-I264 WeakPolarHBondContact O-CD1 3.13Å; F260-I264 WeakPolarHBondContact O-CG1 3.23Å; F260-I264 PolarHBondContact O-N 2.93Å; I264-S268 PolarHBondContact O-N 2.86Å; I264-S268 PolarHBondContact O-OG 2.81Å; I264-S268 VanDerWaalsContact O-OG 3.14Å
265T83.6Confident74Confident19 Ų1944.4 Ų44.412%0.11726%0.264CS..Hα-helixtrans-75.1-27.6-178530000112.5I99 W123 V261 R262 L263 S268 S269I99-T265 HydrophobicContact CD1-CG2 3.38Å; W123-T265 HydrophobicContact CH2-CG2 3.65Å; W123-T265 WeakPolarHBondContact CH2-OG1 3.36Å; W123-T265 HydrophobicContact CZ3-CG2 4.22Å; V261-T265 WeakPolarHBondContact O-CB 3.2Å; V261-T265 VanDerWaalsContact O-CG2 3.23Å; V261-T265 WeakPolarHBondContact O-CG2 3.18Å; V261-T265 PolarHBondContact O-N 3.4Å; V261-T265 VanDerWaalsContact O-N 3.07Å; V261-T265 PolarHBondContact O-OG1 2.88Å; R262-T265 WeakPolarHBondContact CA-OG1 3.24Å; R262-T265 PolarHBondContact O-OG1 3.27Å; L263-T265 VanDerWaalsContact C-N 3.29Å; L263-T265 PolarHBondContact O-N 2.86Å; T265-S268 PolarHBondContact O-N 3.49Å; T265-S269 VanDerWaalsContact O-CB 3.27Å; T265-S269 WeakPolarHBondContact O-CB 3.33Å; T265-S269 PolarHBondContact O-N 3.41Å; T265-S269 PolarHBondContact O-OG 3.33Å
266E78.4Confident72.4Confident79 Ų7945.8 Ų45.837%0.36927%0.273SS..Hα-helixtrans-63.7-48173.8-163.9169.6148.200111.9R262 L263 S268 S269R262-E266 IonicContact CZ-OE2 2.79Å; R262-E266 IonicContact NH1-OE2 2.75Å; R262-E266 PolarHBondContact NH1-OE2 3.37Å; R262-E266 WeakPolarHBondContact O-CB 3.08Å; R262-E266 PolarHBondContact O-N 2.82Å; R262-E266 VanDerWaalsContact O-N 3.1Å; L263-E266 WeakPolarHBondContact O-CB 3.3Å; L263-E266 PolarHBondContact O-N 3.14Å; E266-S268 PolarHBondContact O-N 3.34Å; E266-S269 PolarHBondContact O-N 2.95Å
267E66.8Low70.8Confident64 Ų6448.9 Ų48.930%0.29929%0.289SS..Hα-helixtrans-60-32.1179.2-67.2-177179.700111.7R185 L263R185-E267 IonicContact CZ-OE1 2.82Å; R185-E267 IonicContact NH1-OE1 3.85Å; R185-E267 PolarHBondContact NH1-OE1 3.48Å; L263-E267 PolarHBondContact O-N 3.18Å
268S61.2Low69.4Low89 Ų8953.7 Ų53.762%0.62231%0.313SS*.Hα-helixtrans-80.5-19.5178.5-56.90000114I264 T265 E266I264-S268 PolarHBondContact O-N 2.86Å; I264-S268 PolarHBondContact O-OG 2.81Å; I264-S268 VanDerWaalsContact O-OG 3.14Å; T265-S268 PolarHBondContact O-N 3.49Å; E266-S268 PolarHBondContact O-N 3.34Å
269S54.9Low67.9Low29 Ų2961.4 Ų61.420%0.20335%0.347CS..  trans-95.6-1-163.7-68.40000115.9T265 E266 L271 S272T265-S269 VanDerWaalsContact O-CB 3.27Å; T265-S269 WeakPolarHBondContact O-CB 3.33Å; T265-S269 PolarHBondContact O-N 3.41Å; T265-S269 PolarHBondContact O-OG 3.33Å; E266-S269 PolarHBondContact O-N 2.95Å; S269-L271 PolarHBondContact O-N 3.16Å; S269-S272 PolarHBondContact O-N 2.99Å
270T47.6Very low66.7Low117 Ų11762.5 Ų62.572%0.71835%0.353SS*.THydrogen-bonded Turntrans-59.7-16.4-175.356.80000114.6
271L39.2Very low65.3Low159 Ų15968.1 Ų68.183%0.83238%0.378SS*.THydrogen-bonded Turntrans-105-8.4-178.3-68.5166.2000115.3S269S269-L271 PolarHBondContact O-N 3.16Å
272S51.6Low64.2Low58 Ų5872.5 Ų72.541%0.40640%0.401SS..THydrogen-bonded Turntrans-104.2-14.6-170167.90000115.1S269 S274 C275 S276S269-S272 PolarHBondContact O-N 2.99Å; S272-S274 VanDerWaalsContact C-N 3.3Å; S272-S274 PolarHBondContact O-N 3.44Å; S272-C275 PolarHBondContact O-N 3.27Å; S272-S276 PolarHBondContact O-N 3.12Å; S272-S276 PolarHBondContact O-OG 3.3Å
273V50.2Low63.2Low73 Ų7372.9 Ų72.944%0.44242%0.415SS..Hα-helixtrans-60.7-38.2-172.7-177.90000112C275 S276 M277V273-C275 PolarHBondContact O-N 2.9Å; V273-S276 PolarHBondContact O-N 3.17Å; V273-M277 HydrophobicContact CG1-CG 4.07Å; V273-M277 HydrophobicContact CG1-SD 4.49Å; V273-M277 WeakPolarHBondContact O-CG 3.41Å; V273-M277 PolarHBondContact O-N 2.6Å
274S50.8Low62.3Low86 Ų8675 Ų7560%0.60143%0.429SS*.Hα-helixtrans-62.2-37.7-177.4570000114S272S272-S274 VanDerWaalsContact C-N 3.3Å; S272-S274 PolarHBondContact O-N 3.44Å
275C50.5Low61.4Low92 Ų9277.8 Ų77.862%0.62245%0.45SS*.Hα-helixtrans-78.3-31.1176.9-80.20000112.8S272 V273S272-C275 PolarHBondContact O-N 3.27Å; V273-C275 PolarHBondContact O-N 2.9Å
276S59.8Low60.4Low30 Ų3084 Ų8421%0.2148%0.476CS..Hα-helixtrans-71.8-34.8179.1-61.30000111.6S272 V273 I278 K279 V280S272-S276 PolarHBondContact O-N 3.12Å; S272-S276 PolarHBondContact O-OG 3.3Å; V273-S276 PolarHBondContact O-N 3.17Å; S276-I278 PolarHBondContact O-N 2.95Å; S276-K279 PolarHBondContact O-N 2.79Å; S276-K279 VanDerWaalsContact O-N 3.14Å; S276-V280 WeakPolarHBondContact O-CG2 3.22Å; S276-V280 PolarHBondContact O-N 3.43Å
277M61.5Low59.6Low66 Ų6691.3 Ų91.333%0.32550%0.5SS..Hα-helixtrans-54.6-48.7175.3-65.6-104.5-86.500111.5V141 V273 K279 V280 F281V141-M277 HydrophobicContact CB-SD 4.05Å; V141-M277 HydrophobicContact CG1-CE 4.06Å; V141-M277 HydrophobicContact CG1-SD 3.38Å; V141-M277 WeakPolarHBondContact CG1-SD 3.48Å; V141-M277 HydrophobicContact CG2-CE 4.5Å; V141-M277 HydrophobicContact CG2-SD 3.53Å; V141-M277 VanDerWaalsContact CG2-SD 3.53Å; V273-M277 HydrophobicContact CG1-CG 4.07Å; V273-M277 HydrophobicContact CG1-SD 4.49Å; V273-M277 WeakPolarHBondContact O-CG 3.41Å; V273-M277 PolarHBondContact O-N 2.6Å; M277-K279 VanDerWaalsContact C-N 3.3Å; M277-K279 PolarHBondContact O-N 3.45Å; M277-V280 PolarHBondContact O-N 2.86Å; M277-V280 VanDerWaalsContact O-N 3.14Å; M277-F281 HydrophobicContact CB-CD2 4.24Å; M277-F281 HydrophobicContact CB-CE2 4.25Å; M277-F281 WeakPolarHBondContact O-CD2 3.37Å; M277-F281 PolarHBondContact O-N 3.08Å; M277-F281 HydrophobicContact SD-CE2 4.39Å
278I65.7Low59Low108 Ų10891.4 Ų91.455%0.55452%0.518SS*.Hα-helixtrans-58.8-41.3179.2-75.9166.5000111.6S276 F281 L282S276-I278 PolarHBondContact O-N 2.95Å; I278-F281 PolarHBondContact O-N 2.85Å; I278-L282 HydrophobicContact CG2-CD1 3.77Å; I278-L282 HydrophobicContact CG2-CG 4.3Å; I278-L282 WeakPolarHBondContact O-CB 3.3Å; I278-L282 WeakPolarHBondContact O-CG 3.4Å; I278-L282 PolarHBondContact O-N 3.35Å
279K63.6Low58Low163 Ų163100.4 Ų100.471%0.70954%0.54SS*.Hα-helixtrans-65.8-39.6177.6-74.4-176.5178.7175.30112.3S276 M277 G283S276-K279 PolarHBondContact O-N 2.79Å; S276-K279 VanDerWaalsContact O-N 3.14Å; M277-K279 VanDerWaalsContact C-N 3.3Å; M277-K279 PolarHBondContact O-N 3.45Å; K279-G283 PolarHBondContact O-N 3.43Å
280V66.1Low58.1Low23 Ų23104 Ų10414%0.13956%0.557CS.*Hα-helixtrans-66.6-49176.3176.60000110.1S276 M277 L282 G283 C284S276-V280 WeakPolarHBondContact O-CG2 3.22Å; S276-V280 PolarHBondContact O-N 3.43Å; M277-V280 PolarHBondContact O-N 2.86Å; M277-V280 VanDerWaalsContact O-N 3.14Å; V280-L282 VanDerWaalsContact C-N 3.33Å; V280-L282 PolarHBondContact O-N 3.28Å; V280-G283 PolarHBondContact O-N 2.92Å; V280-G283 VanDerWaalsContact O-N 3.16Å; V280-C284 WeakPolarHBondContact O-CB 3.47Å; V280-C284 PolarHBondContact O-N 3.29Å; V280-C284 PolarHBondContact O-SG 3.33Å
281F65.2Low58.7Low118 Ų118103.3 Ų103.352%0.51855%0.549SS..Hα-helixtrans-56.2-46.3175.8-81.8-69.6000111.8M277 I278 C285M277-F281 HydrophobicContact CB-CD2 4.24Å; M277-F281 HydrophobicContact CB-CE2 4.25Å; M277-F281 WeakPolarHBondContact O-CD2 3.37Å; M277-F281 PolarHBondContact O-N 3.08Å; M277-F281 HydrophobicContact SD-CE2 4.39Å; I278-F281 PolarHBondContact O-N 2.85Å; F281-C285 WeakPolarHBondContact O-CB 3.42Å; F281-C285 PolarHBondContact O-N 2.76Å; F281-C285 PolarHBondContact O-SG 2.79Å
282L69.1Low59.8Low92 Ų92100.2 Ų100.248%0.48253%0.533SS..Hα-helixtrans-66.1-42.7176.9-67.7173.8000111.8I278 V280 F286I278-L282 HydrophobicContact CG2-CD1 3.77Å; I278-L282 HydrophobicContact CG2-CG 4.3Å; I278-L282 WeakPolarHBondContact O-CB 3.3Å; I278-L282 WeakPolarHBondContact O-CG 3.4Å; I278-L282 PolarHBondContact O-N 3.35Å; V280-L282 VanDerWaalsContact C-N 3.33Å; V280-L282 PolarHBondContact O-N 3.28Å; L282-F286 HydrophobicContact CB-CD2 4.37Å; L282-F286 HydrophobicContact CD2-CD2 3.93Å; L282-F286 HydrophobicContact CD2-CE2 3.48Å; L282-F286 VanDerWaalsContact CD2-CE2 3.48Å; L282-F286 VanDerWaalsContact O-CB 3.27Å; L282-F286 WeakPolarHBondContact O-CB 3.24Å; L282-F286 VanDerWaalsContact O-CD2 3.27Å; L282-F286 WeakPolarHBondContact O-CD2 3.35Å; L282-F286 PolarHBondContact O-N 2.87Å; L282-F286 VanDerWaalsContact O-N 3.1Å
283G67.1Low60.3Low41 Ų41102.6 Ų102.642%0.42354%0.54SS..Hα-helixtrans-64.8-42.118000000113.4K279 V280 R287K279-G283 PolarHBondContact O-N 3.43Å; V280-G283 PolarHBondContact O-N 2.92Å; V280-G283 VanDerWaalsContact O-N 3.16Å; G283-R287 VanDerWaalsContact O-CB 3.29Å; G283-R287 WeakPolarHBondContact O-CB 3.47Å; G283-R287 PolarHBondContact O-N 3.12Å
284C67.8Low60.9Low45 Ų45104.5 Ų104.530%0.30455%0.546SS..Hα-helixtrans-80.5-38.2-176.5-53.90000112.2C118 V280C118-C284 WeakPolarHBondContact CA-SG 3.31Å; C118-C284 HydrophobicContact CB-CB 4.13Å; C118-C284 WeakPolarHBondContact CB-SG 3.08Å; C118-C284 VanDerWaalsContact SG-CA 3.55Å; C118-C284 WeakPolarHBondContact SG-CB 3.4Å; C118-C284 CovalentContact SG-SG 2.03Å; C118-C284 PolarHBondContact SG-SG 3.06Å; V280-C284 WeakPolarHBondContact O-CB 3.47Å; V280-C284 PolarHBondContact O-N 3.29Å; V280-C284 PolarHBondContact O-SG 3.33Å
285C68.4Low61.6Low82 Ų82105.7 Ų105.755%0.55454%0.543SS*.Hα-helixtrans-76.6-31179.5-63.30000113.2F281F281-C285 WeakPolarHBondContact O-CB 3.42Å; F281-C285 PolarHBondContact O-N 2.76Å; F281-C285 PolarHBondContact O-SG 2.79Å
286F62.4Low62.4Low150 Ų150106.7 Ų106.766%0.65854%0.537SS*.Hα-helixtrans-90.8-12.8-177.9-76.6-84.7000114.9L282 G288L282-F286 HydrophobicContact CB-CD2 4.37Å; L282-F286 HydrophobicContact CD2-CD2 3.93Å; L282-F286 HydrophobicContact CD2-CE2 3.48Å; L282-F286 VanDerWaalsContact CD2-CE2 3.48Å; L282-F286 VanDerWaalsContact O-CB 3.27Å; L282-F286 WeakPolarHBondContact O-CB 3.24Å; L282-F286 VanDerWaalsContact O-CD2 3.27Å; L282-F286 WeakPolarHBondContact O-CD2 3.35Å; L282-F286 PolarHBondContact O-N 2.87Å; L282-F286 VanDerWaalsContact O-N 3.1Å; F286-G288 VanDerWaalsContact C-N 3.29Å
287R61.8Low62.6Low233 Ų233112.6 Ų112.688%0.87956%0.562SS**THydrogen-bonded Turntrans-86.10.3178.2-158.9167.4175.7160.4-3113.6G283G283-R287 VanDerWaalsContact O-CB 3.29Å; G283-R287 WeakPolarHBondContact O-CB 3.47Å; G283-R287 PolarHBondContact O-N 3.12Å
288G54.9Low62.7Low66 Ų66116.5 Ų116.568%0.6858%0.582SS**THydrogen-bonded Turntrans-104.814.6178.100000115.6F286F286-G288 VanDerWaalsContact C-N 3.29Å
289Y39.8Very low62.4Low277 Ų277117.3 Ų117.3100%1.08659%0.585SS**  trans-124.30175.5-83.7-78.1000112.2

Retrieved 289 of 289 residues in 70.6 ms (Link to these results)