A0A090N8Z8_HUMAN Loading...

ATPase AAA-type core domain-containing protein

AlphaFold DB , UniProt , Accession A0A090N8Z8, Species HUMAN (Homo sapiens, Human), Gene LOC155046, Length 485 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low26.9Very low245 Ų245160.5 Ų160.5100%1.20789%0.885SS**  0107.30-79.6158.7170.600106.3
2R35.4Very low26.7Very low257 Ų257163.1 Ų163.197%0.9789%0.886SS**  trans-96.1128.2-147.4-61.7-179.3-156.2-121.71.8111.1
3G24.8Very low26.4Very low59 Ų59156.7 Ų156.761%0.60888%0.881SS**  trans-93.2161.1-179.600000114.6
4W22.5Very low26.3Very low266 Ų266151.3 Ų151.3100%1.00888%0.878SS**  34128.8127.8-58.171.9000119.3
5G24.1Very low26.2Very low81 Ų81154.9 Ų154.984%0.83588%0.879SS**  trans168.5100.1160.100000114.5
6W22.7Very low26.1Very low263 Ų263157.5 Ų157.5100%0.99688%0.881SS**  trans-73.6153.5169.2-88.733.8000113.4
7A27.9Very low26Very low108 Ų108159.9 Ų159.989%0.89388%0.884SS**  trans164139.4139.600000108.1
8G27.2Very low25.9Very low65 Ų65155.3 Ų155.367%0.6788%0.879SS**  cis168.4150.92.700000108.2
9E25.7Very low25.7Very low207 Ų207154.6 Ų154.697%0.96788%0.878SS**  trans66.9131158-55.6178.1161.200117.9
10G23.6Very low25.5Very low63 Ų63154.5 Ų154.565%0.64987%0.872SS**  cis122.8108.311.900000109.7
11T27.6Very low25.3Very low151 Ų151153.3 Ų153.393%0.92687%0.868SS**  trans175.6160.1139.225.40000113.2
12Q24.7Very low24.8Very low192 Ų192151.1 Ų151.190%0.89785%0.848SS**  trans-84159.3-152.5-68156.2-25.600116.2
13G22.9Very low24.3Very low80 Ų80143.3 Ų143.383%0.82584%0.839SS**  111.2131.7120.200000117.7
14G24.8Very low24.2Very low81 Ų81148.9 Ų148.984%0.83585%0.853SS**  trans121.9101.3151.500000115.9
15K24.8Very low24.4Very low205 Ų205142.6 Ų142.689%0.89184%0.844SS**  trans-61.8145.8160.8-69.5168.6173.5173.20109.5
16E25.1Very low24.3Very low197 Ų197143.7 Ų143.792%0.92184%0.839SS**  -168.4147.6129.2-109.6170-169.600113.4
17Q24.5Very low24.2Very low199 Ų199138.7 Ų138.793%0.9383%0.832SS**  trans-76.1139.5-178.6-65.9169.5-2300110.1
18G24.2Very low24Very low77 Ų77142.3 Ų142.379%0.79483%0.83SS**  trans-148.2112.6177.400000111.6
19T22.2Very low23.8Very low141 Ų141149 Ų14987%0.86584%0.841SS**  trans-62.8135-174.11.60000113.4T21T19-T21 PolarHBondContact O-N 3.3Å
20M21.7Very low23.6Very low152 Ų152145.5 Ų145.575%0.74983%0.834SS**  trans-72.6109175.5-160.294.5116.800110.5Y22M20-Y22 HydrophobicContact CE-CE2 3.73Å; M20-Y22 HydrophobicContact CG-CD2 3.75Å; M20-Y22 HydrophobicContact CG-CE2 3.61Å; M20-Y22 HydrophobicContact SD-CD2 4.13Å; M20-Y22 HydrophobicContact SD-CE2 3.34Å; M20-Y22 WeakPolarHBondContact SD-CE2 3.26Å
21T21.8Very low23.6Very low130 Ų130148.8 Ų148.880%0.79884%0.843SS**  trans-123.7110162.5490000108.2T19T19-T21 PolarHBondContact O-N 3.3Å
22Y23.6Very low23.3Very low200 Ų200144.8 Ų144.878%0.78483%0.832SS**  trans-97.9114.4171.5-78.1-69.5000109.7M20M20-Y22 HydrophobicContact CE-CE2 3.73Å; M20-Y22 HydrophobicContact CG-CD2 3.75Å; M20-Y22 HydrophobicContact CG-CE2 3.61Å; M20-Y22 HydrophobicContact SD-CD2 4.13Å; M20-Y22 HydrophobicContact SD-CE2 3.34Å; M20-Y22 WeakPolarHBondContact SD-CE2 3.26Å
23A23.6Very low23.3Very low93 Ų93145.6 Ų145.677%0.76983%0.833SS**  trans-66143.7171.700000111.9
24L23.9Very low23.3Very low175 Ų175151.4 Ų151.492%0.91684%0.836SS**  trans-63.2124.5168.9-68.6161000110
25V25.3Very low23.2Very low134 Ų134154.2 Ų154.281%0.81284%0.836SS**  trans-119.2103.7159.9175.60000108.3
26S22.3Very low23.2Very low105 Ų105147.8 Ų147.873%0.73483%0.828SS**  trans-62.7134.916250.70000110.3
27N21.5Very low23.2Very low158 Ų158148.4 Ų148.485%0.84583%0.828SS**  trans-140.5115.9153.6-144-9.3000110.7
28Q23.3Very low23.3Very low184 Ų184148.5 Ų148.586%0.8683%0.825SS**  trans-79.5132.9177.8-69.7176.2-7.300109.5
29K22.2Very low23.8Very low206 Ų206154.2 Ų154.290%0.89683%0.828SS**  trans-129.3139.4155.4-87.6-175.1176.9178.10109.6
30T22.3Very low24.6Very low133 Ų133153 Ų15382%0.81681%0.813SS**  trans-63159.8-165.537.60000115.7G32T30-G32 PolarHBondContact O-N 2.93Å
31P22.7Very low25.6Very low131 Ų131154.6 Ų154.685%0.85182%0.816SS**  trans-86.5105.3-164.133.2-31.2000112
32G22.2Very low27.1Very low67 Ų67152.3 Ų152.369%0.69180%0.799SS**  trans-70.4127.6160.500000110.7T30 K34T30-G32 PolarHBondContact O-N 2.93Å; G32-K34 PolarHBondContact O-N 2.8Å
33K23.6Very low28.7Very low209 Ų209147.2 Ų147.291%0.90978%0.784SS**  trans-27.1102.2170.3-107170.1172.8170.90112.7T35K33-T35 PolarHBondContact O-N 2.82Å; K33-T35 VanDerWaalsContact O-N 3.15Å
34K23.6Very low30.4Very low203 Ų203142.9 Ų142.988%0.88375%0.748SS**  trans-71.6104.9165.7-80.3179.1178.9170.90107.9G32 G36G32-K34 PolarHBondContact O-N 2.8Å; K34-G36 PolarHBondContact O-N 3.33Å
35T23.7Very low32Very low139 Ų139137.9 Ų137.985%0.85373%0.728SS**  trans-49.9113.7159.434.20000108.1K33 K37K33-T35 PolarHBondContact O-N 2.82Å; K33-T35 VanDerWaalsContact O-N 3.15Å; T35-K37 PolarHBondContact O-N 3.37Å; T35-K37 VanDerWaalsContact O-N 3.16Å
36G24.2Very low33.6Very low70 Ų70139.1 Ų139.172%0.72273%0.73SS**  trans-53.6122.3-17700000110.3K34 K38K34-G36 PolarHBondContact O-N 3.33Å; G36-K38 VanDerWaalsContact C-N 3.26Å; G36-K38 PolarHBondContact O-N 3.33Å
37K25.3Very low35.6Very low210 Ų210140.1 Ų140.191%0.91372%0.718SS**  trans-56.3100.5158.1-114.2177.2178.2175.30105.7T35 K39T35-K37 PolarHBondContact O-N 3.37Å; T35-K37 VanDerWaalsContact O-N 3.16Å; K37-K39 PolarHBondContact O-N 3.07Å
38K25.6Very low38.1Very low202 Ų202135.9 Ų135.988%0.87870%0.7SS**  trans-55.4101.3176.3-160.8176.2-173.2177.30106.5G36 E40G36-K38 VanDerWaalsContact C-N 3.26Å; G36-K38 PolarHBondContact O-N 3.33Å; K38-E40 PolarHBondContact O-N 3.44Å; K38-E40 VanDerWaalsContact O-N 3.12Å
39K34.7Very low40.4Very low197 Ų197129.1 Ų129.186%0.85767%0.672SS**  trans-53.2119.8171.6-131.8176.9-179.7-177.40105K37 K41K37-K39 PolarHBondContact O-N 3.07Å; K39-K41 PolarHBondContact O-N 3.34Å; K39-K41 VanDerWaalsContact O-N 3.08Å
40E38.9Very low42.7Very low116 Ų116126.6 Ų126.654%0.54266%0.663SS.*  trans-53.6119.7-175.2-145.2165.4-17100106.8K38 D42 Q169 K257K38-E40 PolarHBondContact O-N 3.44Å; K38-E40 VanDerWaalsContact O-N 3.12Å; E40-D42 PolarHBondContact O-N 2.8Å; E40-D42 VanDerWaalsContact O-N 3.12Å; E40-Q169 PolarHBondContact OE1-NE2 2.78Å; E40-K257 IonicContact OE1-NZ 2.95Å
41K42.8Very low45.5Very low185 Ų185122.8 Ų122.880%0.80464%0.642SS**  trans-73.5108.1-173.3-147.2-179.8-173.2-170.60105.8K39 L43K39-K41 PolarHBondContact O-N 3.34Å; K39-K41 VanDerWaalsContact O-N 3.08Å; K41-L43 PolarHBondContact O-N 3.23Å
42D53.5Low48.2Very low82 Ų82116.6 Ų116.644%0.43960%0.602SS.*  trans-54.1108.6174.7-71.7-19000108.4E40 T44 S45 H173E40-D42 PolarHBondContact O-N 2.8Å; E40-D42 VanDerWaalsContact O-N 3.12Å; D42-T44 PolarHBondContact O-N 2.61Å; D42-S45 PolarHBondContact O-N 2.93Å; D42-S45 PolarHBondContact O-OG 3.34Å; D42-H173 IonicContact OD1-CE1 3.96Å; D42-H173 PolarHBondContact OD1-CE1 3Å; D42-H173 IonicContact OD1-ND1 3.91Å; D42-H173 IonicContact OD1-NE2 3.86Å; D42-H173 IonicContact OD2-CE1 3.51Å
43L57.6Low50.9Low93 Ų93118 Ų11849%0.48759%0.587SS.*THydrogen-bonded Turntrans-66.2-2.3-176.4-69.3164.6000112.9K41 N166K41-L43 PolarHBondContact O-N 3.23Å; L43-N166 HydrophobicContact CD1-CB 4.45Å
44T59.2Low53.5Low1 Ų1114 Ų1141%0.00657%0.571CS.*THydrogen-bonded Turntrans-125.315.1-176.267.10000112.7D42 D46 R47 M170 H173 I174 K177D42-T44 PolarHBondContact O-N 2.61Å; T44-D46 PolarHBondContact O-N 2.96Å; T44-R47 PolarHBondContact O-N 3.28Å; T44-M170 HydrophobicContact CG2-CE 4.03Å; T44-M170 HydrophobicContact CG2-CG 4.06Å; T44-H173 PolarHBondContact OG1-CD2 3.19Å; T44-H173 PolarHBondContact OG1-NE2 3.21Å; T44-I174 HydrophobicContact CG2-CD1 4.22Å; T44-I174 HydrophobicContact CG2-CG1 3.69Å; T44-K177 PolarHBondContact O-NZ 2.76Å; T44-K177 WeakPolarHBondContact OG1-CD 3.37Å; T44-K177 PolarHBondContact OG1-NZ 3.14Å
45S57.4Low56.3Low71 Ų71107 Ų10750%0.49754%0.542SS..THydrogen-bonded Turntrans-60.2-28.4-176.833.70000113D42D42-S45 PolarHBondContact O-N 2.93Å; D42-S45 PolarHBondContact O-OG 3.34Å
46D59Low59.1Low159 Ų159100.3 Ų100.385%0.8550%0.501SS*.THydrogen-bonded Turntrans-88.22.6-175.6-51.1-41.9000114.8T44T44-D46 PolarHBondContact O-N 2.96Å
47R65.3Low62Low126 Ų126100.4 Ų100.448%0.47549%0.487SS..SBendtrans-114.8143.6-174.8-61.9-172.8-176.1-174.2-1112.9T44 L52 E55T44-R47 PolarHBondContact O-N 3.28Å; R47-L52 HydrophobicContact CB-CD2 4.46Å; R47-L52 HydrophobicContact CB-CG 4.46Å; R47-E55 IonicContact NH1-OE2 3.35Å
48S72.6Confident64.9Low69 Ų6997.4 Ų97.448%0.48348%0.48SS..  trans-70.4150.8175.965.40000111.9E50 S51 L52S48-E50 VanDerWaalsContact C-N 3.29Å; S48-E50 PolarHBondContact O-N 3.01Å; S48-S51 WeakPolarHBondContact OG-CB 3.49Å; S48-L52 WeakPolarHBondContact O-CG 3.48Å; S48-L52 PolarHBondContact O-N 2.84Å
49V71.7Confident67.6Low42 Ų4289 Ų8926%0.25545%0.446SS..Hα-helixtrans-68.4-30.8-178.2-174.40000111.9L52 Y53 V178 L184V49-L52 PolarHBondContact O-N 3.18Å; V49-Y53 WeakPolarHBondContact O-CB 3.44Å; V49-Y53 PolarHBondContact O-N 2.85Å; V49-V178 HydrophobicContact CG1-CG2 4.28Å; V49-L184 HydrophobicContact CB-CD1 4.3Å; V49-L184 HydrophobicContact CG1-CD1 3.86Å; V49-L184 HydrophobicContact CG2-CD1 4.19Å; V49-L184 HydrophobicContact CG2-CG 4.34Å
50E71.3Confident69.8Low153 Ų15380.3 Ų80.372%0.71541%0.413SS*.Hα-helixtrans-65.5-47.7178.5-66.3168.1176.800111.6S48 L52 Y53 E54S48-E50 VanDerWaalsContact C-N 3.29Å; S48-E50 PolarHBondContact O-N 3.01Å; E50-L52 VanDerWaalsContact C-N 3.27Å; E50-L52 PolarHBondContact O-N 3.37Å; E50-Y53 WeakPolarHBondContact O-CB 3.01Å; E50-Y53 PolarHBondContact O-N 2.98Å; E50-E54 PolarHBondContact O-N 3.06Å
51S80.4Confident72Confident54 Ų5474.8 Ų74.838%0.37839%0.387SS..Hα-helixtrans-60.4-38.8175.3174.40000111.9S48 E55S48-S51 WeakPolarHBondContact OG-CB 3.49Å; S51-E55 WeakPolarHBondContact O-CB 3.38Å; S51-E55 PolarHBondContact O-N 3.5Å
52L79.1Confident74.1Confident0 Ų066.4 Ų66.40%035%0.351CS..Hα-helixtrans-66.4-37.4175.4-68176.1000112.1R47 S48 V49 E50 L56 I174 K177 V178R47-L52 HydrophobicContact CB-CD2 4.46Å; R47-L52 HydrophobicContact CB-CG 4.46Å; S48-L52 WeakPolarHBondContact O-CG 3.48Å; S48-L52 PolarHBondContact O-N 2.84Å; V49-L52 PolarHBondContact O-N 3.18Å; E50-L52 VanDerWaalsContact C-N 3.27Å; E50-L52 PolarHBondContact O-N 3.37Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.85Å; L52-L56 VanDerWaalsContact O-N 3.09Å; L52-I174 HydrophobicContact CB-CG2 4.09Å; L52-I174 HydrophobicContact CD2-CD1 4.03Å; L52-I174 HydrophobicContact CD2-CG1 3.95Å; L52-I174 HydrophobicContact CD2-CG2 4.07Å; L52-I174 HydrophobicContact CG-CG2 4.47Å; L52-K177 HydrophobicContact CD1-CD 4.36Å; L52-V178 HydrophobicContact CB-CG2 3.82Å
53Y78.6Confident75.5Confident97 Ų9768.2 Ų68.238%0.3835%0.351SS..Hα-helixtrans-65.8-45.6177.1-170.8-86.9000111.4V49 E50 E55 L56 V57 L62 V178V49-Y53 WeakPolarHBondContact O-CB 3.44Å; V49-Y53 PolarHBondContact O-N 2.85Å; E50-Y53 WeakPolarHBondContact O-CB 3.01Å; E50-Y53 PolarHBondContact O-N 2.98Å; Y53-E55 VanDerWaalsContact C-N 3.34Å; Y53-E55 PolarHBondContact O-N 2.99Å; Y53-L56 WeakPolarHBondContact O-CB 3.29Å; Y53-L56 PolarHBondContact O-N 3.17Å; Y53-L56 VanDerWaalsContact O-N 3.17Å; Y53-V57 HydrophobicContact CD1-CG2 3.97Å; Y53-V57 HydrophobicContact CE1-CG2 3.73Å; Y53-V57 WeakPolarHBondContact O-CG2 3.33Å; Y53-V57 PolarHBondContact O-N 3.44Å; Y53-L62 HydrophobicContact CD1-CD2 4.45Å; Y53-L62 HydrophobicContact CD2-CD2 3.75Å; Y53-L62 HydrophobicContact CE1-CD2 3.95Å; Y53-L62 HydrophobicContact CE2-CD2 3.16Å; Y53-L62 HydrophobicContact CG-CD2 4.36Å; Y53-V178 HydrophobicContact CD2-CG1 3.76Å
54E79.4Confident76.6Confident124 Ų12473.7 Ų73.758%0.57937%0.371SS*.Hα-helixtrans-59-44.6175.7-70.1175.2177.800111.7E50 L56 V57 I58E50-E54 PolarHBondContact O-N 3.06Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 2.93Å; E54-V57 PolarHBondContact O-N 3.17Å; E54-I58 WeakPolarHBondContact O-CB 3.15Å; E54-I58 VanDerWaalsContact O-CG1 3.26Å; E54-I58 WeakPolarHBondContact O-CG1 3.4Å; E54-I58 PolarHBondContact O-N 2.92Å
55E82.8Confident77.7Confident56 Ų5674.8 Ų74.826%0.26238%0.379SS..Hα-helixtrans-60.5-39.2176.4-162.9-173.6152.500111.9R47 S51 Y53 S59 Y162R47-E55 IonicContact NH1-OE2 3.35Å; S51-E55 WeakPolarHBondContact O-CB 3.38Å; S51-E55 PolarHBondContact O-N 3.5Å; Y53-E55 VanDerWaalsContact C-N 3.34Å; Y53-E55 PolarHBondContact O-N 2.99Å; E55-S59 WeakPolarHBondContact O-CB 3.39Å; E55-S59 PolarHBondContact O-N 3.09Å; E55-S59 PolarHBondContact O-OG 3.23Å; E55-Y162 WeakPolarHBondContact CG-OH 3.46Å; E55-Y162 WeakPolarHBondContact OE1-CE1 3.05Å; E55-Y162 PolarHBondContact OE1-OH 3.48Å
56L82.7Confident78.8Confident0 Ų077.2 Ų77.20%038%0.382CS..Hα-helixtrans-68.7-34.2176.6-72.1177.1000113.2L52 Y53 E54 S59 G60 L61 L62 F151 I174 V175 V178L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 2.85Å; L52-L56 VanDerWaalsContact O-N 3.09Å; Y53-L56 WeakPolarHBondContact O-CB 3.29Å; Y53-L56 PolarHBondContact O-N 3.17Å; Y53-L56 VanDerWaalsContact O-N 3.17Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 2.93Å; L56-S59 VanDerWaalsContact CA-OG 3.32Å; L56-S59 WeakPolarHBondContact CA-OG 3.49Å; L56-S59 PolarHBondContact O-OG 3.03Å; L56-S59 VanDerWaalsContact O-OG 3.13Å; L56-G60 PolarHBondContact O-N 3.36Å; L56-L61 HydrophobicContact CD2-CB 4.07Å; L56-L61 HydrophobicContact CD2-CD1 3.78Å; L56-L61 PolarHBondContact O-N 3.13Å; L56-L62 HydrophobicContact CB-CB 4.06Å; L56-L62 PolarHBondContact O-N 2.99Å; L56-F151 HydrophobicContact CD1-CE1 4.01Å; L56-I174 HydrophobicContact CD1-CG2 3.92Å; L56-I174 HydrophobicContact CD2-CG2 4.02Å; L56-I174 HydrophobicContact CG-CG2 3.96Å; L56-V175 HydrophobicContact CD1-CG2 4.43Å; L56-V175 HydrophobicContact CD2-CG2 3.83Å; L56-V178 HydrophobicContact CD1-CB 4.15Å; L56-V178 HydrophobicContact CD1-CG1 4.23Å; L56-V178 HydrophobicContact CD1-CG2 3.91Å
57V83.7Confident80.1Confident71 Ų7174.5 Ų74.543%0.4338%0.376SS..Hα-helixtrans-72.3-46.9175.4174.30000110.4Y53 E54 S59 G60 L62Y53-V57 HydrophobicContact CD1-CG2 3.97Å; Y53-V57 HydrophobicContact CE1-CG2 3.73Å; Y53-V57 WeakPolarHBondContact O-CG2 3.33Å; Y53-V57 PolarHBondContact O-N 3.44Å; E54-V57 PolarHBondContact O-N 3.17Å; V57-S59 PolarHBondContact O-N 2.75Å; V57-G60 WeakPolarHBondContact O-CA 3.5Å; V57-G60 PolarHBondContact O-N 2.64Å; V57-L62 HydrophobicContact CG2-CB 4.29Å; V57-L62 HydrophobicContact CG2-CD2 3.97Å; V57-L62 HydrophobicContact CG2-CG 4.25Å
58I86Confident81.2Confident148 Ų14869.4 Ų69.476%0.75936%0.359SS*.Hα-helixtrans-62.6-43.8178-67.4165.2000110.6E54 G60E54-I58 WeakPolarHBondContact O-CB 3.15Å; E54-I58 VanDerWaalsContact O-CG1 3.26Å; E54-I58 WeakPolarHBondContact O-CG1 3.4Å; E54-I58 PolarHBondContact O-N 2.92Å; I58-G60 PolarHBondContact O-N 2.77Å
59S82.2Confident81.9Confident24 Ų2467.2 Ų67.217%0.16835%0.345CS..THydrogen-bonded Turntrans-69.2-7.4174.165.20000112.7E55 L56 V57 L61 K161E55-S59 WeakPolarHBondContact O-CB 3.39Å; E55-S59 PolarHBondContact O-N 3.09Å; E55-S59 PolarHBondContact O-OG 3.23Å; L56-S59 VanDerWaalsContact CA-OG 3.32Å; L56-S59 WeakPolarHBondContact CA-OG 3.49Å; L56-S59 PolarHBondContact O-OG 3.03Å; L56-S59 VanDerWaalsContact O-OG 3.13Å; V57-S59 PolarHBondContact O-N 2.75Å; S59-L61 PolarHBondContact O-N 2.77Å; S59-K161 WeakPolarHBondContact O-CE 3.25Å; S59-K161 PolarHBondContact O-NZ 2.59Å
60G81.5Confident82.6Confident15 Ų1566.1 Ų66.116%0.15534%0.337CS..THydrogen-bonded Turntrans6323.2179.100000113.6L56 V57 I58 R63 N157L56-G60 PolarHBondContact O-N 3.36Å; V57-G60 WeakPolarHBondContact O-CA 3.5Å; V57-G60 PolarHBondContact O-N 2.64Å; I58-G60 PolarHBondContact O-N 2.77Å; G60-R63 PolarHBondContact O-NE 3.19Å; G60-R63 PolarHBondContact O-NH2 2.78Å; G60-N157 PolarHBondContact O-ND2 3.21Å
61L84.8Confident83.2Confident0 Ų065.9 Ų65.90%033%0.334CS..SBendtrans-79-34.8169.8-68.9175.1000110.4L56 S59 F151 D152 L153 L158 Y162 M171L56-L61 HydrophobicContact CD2-CB 4.07Å; L56-L61 HydrophobicContact CD2-CD1 3.78Å; L56-L61 PolarHBondContact O-N 3.13Å; S59-L61 PolarHBondContact O-N 2.77Å; L61-F151 CarbonylContact O-C 3.59Å; L61-F151 VanDerWaalsContact O-CA 3.27Å; L61-F151 WeakPolarHBondContact O-CA 3.28Å; L61-D152 PolarHBondContact O-N 3.48Å; L61-L153 HydrophobicContact CD2-CD2 4.11Å; L61-L158 HydrophobicContact CD2-CD2 3.96Å; L61-Y162 HydrophobicContact CD1-CE2 3.94Å; L61-M171 HydrophobicContact CD1-CG 3.93Å; L61-M171 HydrophobicContact CD1-SD 3.77Å; L61-M171 HydrophobicContact CD2-SD 4.31Å
62L86.5Confident83.4Confident9 Ų967.4 Ų67.45%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-99.4123.5171.7178.256.5000109.9Y53 L56 V57 N149 F151Y53-L62 HydrophobicContact CD1-CD2 4.45Å; Y53-L62 HydrophobicContact CD2-CD2 3.75Å; Y53-L62 HydrophobicContact CE1-CD2 3.95Å; Y53-L62 HydrophobicContact CE2-CD2 3.16Å; Y53-L62 HydrophobicContact CG-CD2 4.36Å; L56-L62 HydrophobicContact CB-CB 4.06Å; L56-L62 PolarHBondContact O-N 2.99Å; V57-L62 HydrophobicContact CG2-CB 4.29Å; V57-L62 HydrophobicContact CG2-CD2 3.97Å; V57-L62 HydrophobicContact CG2-CG 4.25Å; L62-N149 HydrophobicContact CD1-CB 3.88Å; L62-F151 HydrophobicContact CB-CD1 4.21Å; L62-F151 HydrophobicContact CB-CE1 4.11Å; L62-F151 HydrophobicContact CD1-CD1 4.04Å; L62-F151 HydrophobicContact CD1-CD2 4.46Å; L62-F151 HydrophobicContact CD1-CE1 3.77Å; L62-F151 HydrophobicContact CD1-CE2 4.21Å; L62-F151 HydrophobicContact CD1-CG 4.39Å; L62-F151 HydrophobicContact CD1-CZ 3.87Å; L62-F151 HydrophobicContact CD2-CE1 4.18Å; L62-F151 HydrophobicContact CD2-CZ 4.43Å; L62-F151 HydrophobicContact CG-CE1 4.24Å
63R83.9Confident83.8Confident120 Ų12068 Ų6845%0.45334%0.34SS..EExtended strand (participates in β ladder)trans-134.5144.5-179.7-60.5-175.8-171.6-163.43110.7G60 L150 N157G60-R63 PolarHBondContact O-NE 3.19Å; G60-R63 PolarHBondContact O-NH2 2.78Å; R63-L150 PolarHBondContact N-O 3.27Å; R63-L150 WeakPolarHBondContact O-CB 3.32Å; R63-N157 PolarHBondContact NH2-OD1 3.22Å; R63-N157 VanDerWaalsContact NH2-OD1 3.1Å
64K80.4Confident83.9Confident208 Ų20865.4 Ų65.490%0.90433%0.333SS*.PPolyproline II helixtrans-72.1127.8165.1-168.6174.6-178.9179.70108.6
65S81.8Confident83.7Confident24 Ų2460.1 Ų60.117%0.16831%0.312CS..PPolyproline II helixtrans-71.5146.5176.358.20000110.9C143S65-C143 VanDerWaalsContact OG-CB 3.25Å; S65-C143 WeakPolarHBondContact OG-CB 3.16Å
66E81.9Confident83.2Confident122 Ų12257.7 Ų57.757%0.5730%0.3SS*.PPolyproline II helixtrans-60.8136.8164.2-177.3-177.1-174.300109.7V68 K140 T144E66-V68 HydrophobicContact CG-CG2 4.44Å; E66-V68 PolarHBondContact O-N 2.95Å; E66-K140 HydrophobicContact CB-CD 4.32Å; E66-K140 IonicContact OE2-NZ 3.24Å; E66-K140 PolarHBondContact OE2-NZ 3.32Å; E66-T144 PolarHBondContact O-OG1 3.06Å
67S85Confident82.6Confident102 Ų10262.3 Ų62.371%0.71332%0.321SS*.  trans-72.7108.3-178.7-1790000109.9
68V88.4Confident82Confident19 Ų1961.8 Ų61.812%0.11532%0.315CS..  trans-128.7129.3174.3-178.80000107.8E66 M137 K140 A141 T144E66-V68 HydrophobicContact CG-CG2 4.44Å; E66-V68 PolarHBondContact O-N 2.95Å; V68-M137 HydrophobicContact CG1-CG 3.76Å; V68-M137 HydrophobicContact CG1-SD 4.44Å; V68-K140 HydrophobicContact CG2-CB 4.42Å; V68-A141 VanDerWaalsContact O-CA 3.29Å; V68-A141 WeakPolarHBondContact O-CA 3.38Å; V68-T144 PolarHBondContact N-OG1 3.41Å; V68-T144 VanDerWaalsContact N-OG1 3.11Å; V68-T144 VanDerWaalsContact O-CB 3.23Å; V68-T144 WeakPolarHBondContact O-CB 3.33Å; V68-T144 PolarHBondContact O-OG1 2.84Å
69A87.6Confident81.2Confident23 Ų2360.1 Ų60.119%0.1930%0.3CS..  trans-83.5146.5178.700000110.5K71 D72A69-K71 HydrophobicContact CB-CD 4.14Å; A69-K71 HydrophobicContact CB-CG 3.75Å; A69-K71 PolarHBondContact O-N 2.64Å; A69-D72 PolarHBondContact N-OD2 3.46Å; A69-D72 WeakPolarHBondContact O-CB 3.17Å; A69-D72 PolarHBondContact O-N 3.45Å
70L86.3Confident80.4Confident19 Ų1964 Ų6410%0.09932%0.318CS..G310 helixtrans-65-26.7179.2-172.763.7000112D72 Y73 R99 A103 V107 L138 A141 E145L70-D72 PolarHBondContact O-N 3.12Å; L70-Y73 WeakPolarHBondContact O-CB 3.43Å; L70-Y73 PolarHBondContact O-N 3.38Å; L70-R99 HydrophobicContact CD1-CG 4.07Å; L70-R99 HydrophobicContact CD2-CG 4.34Å; L70-R99 HydrophobicContact CG-CG 3.97Å; L70-A103 HydrophobicContact CD2-CB 3.99Å; L70-V107 HydrophobicContact CD2-CG2 4.31Å; L70-L138 HydrophobicContact CD1-CD2 3.91Å; L70-A141 HydrophobicContact CB-CB 4.39Å; L70-A141 HydrophobicContact CD1-CB 4.11Å; L70-E145 HydrophobicContact CB-CG 3.94Å; L70-E145 PolarHBondContact N-OE1 3.48Å
71K85Confident79.9Confident148 Ų14863.9 Ų63.964%0.64332%0.317SS*.G310 helixtrans-61.1-28.2173.972.5-172.9179.11780113.2A69 Y73A69-K71 HydrophobicContact CB-CD 4.14Å; A69-K71 HydrophobicContact CB-CG 3.75Å; A69-K71 PolarHBondContact O-N 2.64Å; K71-Y73 PolarHBondContact O-N 2.87Å
72D84.5Confident79Confident86 Ų8668 Ų6846%0.4635%0.346SS..G310 helixtrans-75.2-15.2-178.1-55.4-25.8000111.2A69 L70 I74A69-D72 PolarHBondContact N-OD2 3.46Å; A69-D72 WeakPolarHBondContact O-CB 3.17Å; A69-D72 PolarHBondContact O-N 3.45Å; L70-D72 PolarHBondContact O-N 3.12Å; D72-I74 PolarHBondContact O-N 2.9Å; D72-I74 VanDerWaalsContact O-N 3.11Å
73Y86.6Confident78.2Confident12 Ų1271.1 Ų71.15%0.04737%0.365CS..SBendtrans-76.696.3169.6-172-97000109.9L70 K71 L95 R99 L138 M295L70-Y73 WeakPolarHBondContact O-CB 3.43Å; L70-Y73 PolarHBondContact O-N 3.38Å; K71-Y73 PolarHBondContact O-N 2.87Å; Y73-L95 HydrophobicContact CE1-CB 4.45Å; Y73-R99 HydrophobicContact CD1-CB 3.97Å; Y73-R99 HydrophobicContact CD1-CG 4.21Å; Y73-R99 HydrophobicContact CE1-CB 4.34Å; Y73-R99 WeakPolarHBondContact O-CD 3.42Å; Y73-R99 PolarHBondContact O-NH1 2.85Å; Y73-R99 VanDerWaalsContact O-NH1 3.09Å; Y73-L138 HydrophobicContact CD1-CD2 3.77Å; Y73-L138 HydrophobicContact CD2-CD1 4.38Å; Y73-L138 HydrophobicContact CD2-CD2 3.68Å; Y73-L138 HydrophobicContact CD2-CG 3.79Å; Y73-L138 HydrophobicContact CE1-CD1 4.32Å; Y73-L138 HydrophobicContact CE1-CD2 4.12Å; Y73-L138 HydrophobicContact CE2-CD1 3.9Å; Y73-L138 HydrophobicContact CE2-CD2 4.05Å; Y73-L138 HydrophobicContact CE2-CG 3.79Å; Y73-L138 HydrophobicContact CG-CD2 3.54Å; Y73-L138 HydrophobicContact CG-CG 4.18Å; Y73-M295 HydrophobicContact CE2-CE 4.09Å; Y73-M295 WeakPolarHBondContact OH-CE 3.39Å
74I81Confident77.5Confident44 Ų4468 Ų6823%0.22636%0.357CS..  trans-77.7130.2-179-59156.5000109.6D72 A370 L372 R375 M376D72-I74 PolarHBondContact O-N 2.9Å; D72-I74 VanDerWaalsContact O-N 3.11Å; I74-A370 HydrophobicContact CG2-CB 4.15Å; I74-L372 HydrophobicContact CB-CD1 4.19Å; I74-L372 HydrophobicContact CG2-CD1 4.07Å; I74-R375 HydrophobicContact CD1-CB 3.58Å; I74-R375 HydrophobicContact CD1-CG 4.41Å; I74-R375 HydrophobicContact CG1-CB 4.47Å; I74-M376 HydrophobicContact CD1-CG 4.5Å
75G74.8Confident76.7Confident13 Ų1359.5 Ų59.513%0.13432%0.324CS..  trans-156137.4175.100000110.8
76D71.8Confident76Confident4 Ų465.3 Ų65.32%0.02135%0.353CS..  trans-86.7162.4176.7-106.2-43.7000112.3Y79 S94 F96 S302D76-Y79 HydrophobicContact CB-CE2 4.29Å; D76-Y79 PolarHBondContact OD1-OH 2.79Å; D76-S94 VanDerWaalsContact O-CB 3.25Å; D76-S94 WeakPolarHBondContact O-CB 3.15Å; D76-S94 PolarHBondContact O-OG 3.12Å; D76-F96 VanDerWaalsContact O-CB 3.25Å; D76-F96 WeakPolarHBondContact O-CB 3.42Å; D76-F96 PolarHBondContact O-N 3.38Å; D76-S302 VanDerWaalsContact OD2-CA 3.31Å; D76-S302 WeakPolarHBondContact OD2-CA 3.21Å
77F71.6Confident75.5Confident98 Ų9863.8 Ų63.843%0.4335%0.351SS..  trans-77.2156.9174.1-62.1-89.4000111.6Y79 F96F77-Y79 HydrophobicContact CB-CE1 4.09Å; F77-Y79 HydrophobicContact CB-CE2 4.34Å; F77-Y79 WeakPolarHBondContact O-CD2 3.2Å; F77-Y79 VanDerWaalsContact O-CE2 3.3Å; F77-Y79 WeakPolarHBondContact O-CE2 3.49Å; F77-Y79 PolarHBondContact O-N 3.08Å; F77-Y79 VanDerWaalsContact O-N 3.12Å; F77-F96 HydrophobicContact CD1-CB 4.41Å; F77-F96 AromaticContact CD1-CD1 3.63Å; F77-F96 HydrophobicContact CD1-CD1 3.63Å; F77-F96 HydrophobicContact CD1-CD2 4.28Å; F77-F96 AromaticContact CD1-CE1 3.92Å; F77-F96 HydrophobicContact CD1-CE1 3.92Å; F77-F96 HydrophobicContact CD1-CE2 4.49Å; F77-F96 AromaticContact CD1-CG 3.84Å; F77-F96 HydrophobicContact CD1-CG 3.84Å; F77-F96 HydrophobicContact CD1-CZ 4.35Å; F77-F96 AromaticContact CE1-CD1 3.44Å; F77-F96 HydrophobicContact CE1-CD1 3.44Å; F77-F96 VanDerWaalsContact CE1-CD1 3.44Å; F77-F96 AromaticContact CE1-CD2 3.75Å; F77-F96 HydrophobicContact CE1-CD2 3.75Å; F77-F96 AromaticContact CE1-CE1 3.27Å; F77-F96 HydrophobicContact CE1-CE1 3.27Å; F77-F96 AromaticContact CE1-CE2 3.56Å; F77-F96 HydrophobicContact CE1-CE2 3.56Å; F77-F96 AromaticContact CE1-CG 3.69Å; F77-F96 HydrophobicContact CE1-CG 3.69Å; F77-F96 AromaticContact CE1-CZ 3.33Å; F77-F96 HydrophobicContact CE1-CZ 3.33Å; F77-F96 HydrophobicContact CE2-CD2 4.24Å; F77-F96 HydrophobicContact CE2-CE2 4.28Å; F77-F96 HydrophobicContact CG-CG 4.43Å; F77-F96 HydrophobicContact CZ-CD1 4.26Å; F77-F96 AromaticContact CZ-CD2 3.71Å; F77-F96 HydrophobicContact CZ-CD2 3.71Å; F77-F96 HydrophobicContact CZ-CE1 4.03Å; F77-F96 AromaticContact CZ-CE2 3.41Å; F77-F96 HydrophobicContact CZ-CE2 3.41Å; F77-F96 VanDerWaalsContact CZ-CE2 3.41Å; F77-F96 HydrophobicContact CZ-CG 4.13Å; F77-F96 AromaticContact CZ-CZ 3.61Å; F77-F96 HydrophobicContact CZ-CZ 3.61Å
78L70.9Confident74.5Confident59 Ų5965.6 Ų65.631%0.30935%0.346SS..  trans-79.190171-176.572.4000110.6P91L78-P91 HydrophobicContact CD1-CB 4.31Å; L78-P91 HydrophobicContact CD2-CB 3.54Å; L78-P91 HydrophobicContact CD2-CG 4.09Å; L78-P91 HydrophobicContact CG-CB 4.48Å
79Y68.4Low73.4Confident113 Ų11371 Ų7144%0.44337%0.368SS..THydrogen-bonded Turntrans-72.2-30.2-179.8-56.6-76.8000113.8D76 F77 G81 P369D76-Y79 HydrophobicContact CB-CE2 4.29Å; D76-Y79 PolarHBondContact OD1-OH 2.79Å; F77-Y79 HydrophobicContact CB-CE1 4.09Å; F77-Y79 HydrophobicContact CB-CE2 4.34Å; F77-Y79 WeakPolarHBondContact O-CD2 3.2Å; F77-Y79 VanDerWaalsContact O-CE2 3.3Å; F77-Y79 WeakPolarHBondContact O-CE2 3.49Å; F77-Y79 PolarHBondContact O-N 3.08Å; F77-Y79 VanDerWaalsContact O-N 3.12Å; Y79-G81 PolarHBondContact O-N 3.12Å; Y79-P369 WeakPolarHBondContact OH-CB 3.44Å
80L66.4Low72.3Confident106 Ų10671.6 Ų71.656%0.55537%0.368SS*.THydrogen-bonded Turntrans-91.912.3-175.9-65.3173000114S82 T83 L84L80-S82 PolarHBondContact O-N 3.24Å; L80-T83 PolarHBondContact O-N 3.26Å; L80-L84 HydrophobicContact CB-CD1 4.17Å; L80-L84 HydrophobicContact CB-CG 4.28Å; L80-L84 WeakPolarHBondContact O-CB 3.16Å; L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.46Å
81G70.3Confident71.5Confident13 Ų1371.1 Ų71.113%0.13437%0.366CS..Hα-helixtrans-60.3-41.7-171.600000114.1Y79 S85Y79-G81 PolarHBondContact O-N 3.12Å; G81-S85 WeakPolarHBondContact O-CB 3.38Å; G81-S85 PolarHBondContact O-N 3.42Å; G81-S85 PolarHBondContact O-OG 3.3Å
82S66.3Low71.1Confident85 Ų8565.8 Ų65.859%0.59434%0.344SS*.Hα-helixtrans-67.2-47.7176.7510000111.6L80 L84 S85 L86L80-S82 PolarHBondContact O-N 3.24Å; S82-L84 PolarHBondContact O-N 3.04Å; S82-S85 WeakPolarHBondContact O-CB 3.44Å; S82-S85 PolarHBondContact O-N 2.84Å; S82-L86 PolarHBondContact O-N 2.84Å; S82-L86 VanDerWaalsContact O-N 3.14Å
83T70.1Confident71Confident75 Ų7563.2 Ų63.246%0.4633%0.332SS..Hα-helixtrans-62-43.4178.7-44.90000112.3L80 S85 L86 V87L80-T83 PolarHBondContact O-N 3.26Å; T83-S85 VanDerWaalsContact C-N 3.28Å; T83-S85 PolarHBondContact O-N 3Å; T83-L86 WeakPolarHBondContact O-CB 3.39Å; T83-L86 PolarHBondContact O-N 3.16Å; T83-V87 WeakPolarHBondContact O-CG2 3.43Å; T83-V87 PolarHBondContact O-N 2.98Å
84L67.9Low70.9Confident55 Ų5563.2 Ų63.229%0.28833%0.334SS..Hα-helixtrans-64.7-35.2177.6-73.1170.8000112.1L80 S82 L86 V87 K88 K89 P91L80-L84 HydrophobicContact CB-CD1 4.17Å; L80-L84 HydrophobicContact CB-CG 4.28Å; L80-L84 WeakPolarHBondContact O-CB 3.16Å; L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.46Å; S82-L84 PolarHBondContact O-N 3.04Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-V87 PolarHBondContact O-N 3.48Å; L84-K88 PolarHBondContact O-N 3.07Å; L84-K89 CarbonylContact C-O 3.54Å; L84-K89 HydrophobicContact CD2-CB 4.48Å; L84-K89 PolarHBondContact O-N 3.15Å; L84-K89 VanDerWaalsContact O-N 3.11Å; L84-P91 HydrophobicContact CB-CB 4.21Å; L84-P91 HydrophobicContact CD1-CB 3.88Å
85S64.6Low71Confident29 Ų2961.7 Ų61.720%0.20333%0.326CS..Hα-helixtrans-64.6-38.6176.1-58.10000111.5G81 S82 T83 V87 K88G81-S85 WeakPolarHBondContact O-CB 3.38Å; G81-S85 PolarHBondContact O-N 3.42Å; G81-S85 PolarHBondContact O-OG 3.3Å; S82-S85 WeakPolarHBondContact O-CB 3.44Å; S82-S85 PolarHBondContact O-N 2.84Å; T83-S85 VanDerWaalsContact C-N 3.28Å; T83-S85 PolarHBondContact O-N 3Å; S85-V87 VanDerWaalsContact C-N 3.29Å; S85-V87 PolarHBondContact O-N 2.94Å; S85-K88 PolarHBondContact O-N 3.48Å; S85-K88 VanDerWaalsContact O-N 3.11Å
86L66.8Low71.4Confident147 Ų14762.9 Ų62.977%0.7733%0.327SS*.Hα-helixtrans-62.6-35.3173.9-66.3172.6000112.7S82 T83 L84 K88S82-L86 PolarHBondContact O-N 2.84Å; S82-L86 VanDerWaalsContact O-N 3.14Å; T83-L86 WeakPolarHBondContact O-CB 3.39Å; T83-L86 PolarHBondContact O-N 3.16Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.2Å
87V71Confident72.1Confident89 Ų8965.3 Ų65.354%0.53934%0.341SS..THydrogen-bonded Turntrans-82.710.8178.7-172.30000111.8T83 L84 S85 K89T83-V87 WeakPolarHBondContact O-CG2 3.43Å; T83-V87 PolarHBondContact O-N 2.98Å; L84-V87 PolarHBondContact O-N 3.48Å; S85-V87 VanDerWaalsContact C-N 3.29Å; S85-V87 PolarHBondContact O-N 2.94Å; V87-K89 HydrophobicContact CG1-CD 4.32Å; V87-K89 HydrophobicContact CG1-CG 4.38Å; V87-K89 PolarHBondContact O-N 3.15Å
88K63.7Low73Confident140 Ų14060.8 Ų60.861%0.60932%0.321SS*.THydrogen-bonded Turntrans53.723.5-177.6-57.3-170.3177.8-1640113.5L84 S85 L86 E474L84-K88 PolarHBondContact O-N 3.07Å; S85-K88 PolarHBondContact O-N 3.48Å; S85-K88 VanDerWaalsContact O-N 3.11Å; L86-K88 PolarHBondContact O-N 3.2Å; K88-E474 IonicContact NZ-OE1 2.92Å; K88-E474 PolarHBondContact NZ-OE1 3.44Å
89K65.9Low73.9Confident134 Ų13459.9 Ų59.958%0.58331%0.313SS*.PPolyproline II helixtrans-96.6129.3172.8-73.4-177.1179.8177.70108.5L84 V87 P91L84-K89 CarbonylContact C-O 3.54Å; L84-K89 HydrophobicContact CD2-CB 4.48Å; L84-K89 PolarHBondContact O-N 3.15Å; L84-K89 VanDerWaalsContact O-N 3.11Å; V87-K89 HydrophobicContact CG1-CD 4.32Å; V87-K89 HydrophobicContact CG1-CG 4.38Å; V87-K89 PolarHBondContact O-N 3.15Å; K89-P91 WeakPolarHBondContact O-CD 3.45Å
90L64.7Low74.9Confident35 Ų3559 Ų5918%0.18331%0.313CS..PPolyproline II helixtrans-67.4119.2175.5-162.590.6000108.7M92 F454 M463 R466L90-M92 PolarHBondContact O-N 3.4Å; L90-F454 HydrophobicContact CB-CE1 4.19Å; L90-F454 HydrophobicContact CB-CZ 4.34Å; L90-F454 HydrophobicContact CD2-CE1 3.53Å; L90-F454 HydrophobicContact CD2-CZ 4.1Å; L90-F454 HydrophobicContact CG-CE1 4.43Å; L90-M463 HydrophobicContact CB-SD 3.75Å; L90-M463 HydrophobicContact CD1-SD 3.75Å; L90-M463 HydrophobicContact CD2-SD 3.95Å; L90-M463 HydrophobicContact CG-SD 3.99Å; L90-R466 HydrophobicContact CD1-CB 4.03Å; L90-R466 HydrophobicContact CD1-CG 4.1Å
91P69.8Low76Confident9 Ų956 Ų566%0.05830%0.298CS..PPolyproline II helixtrans-66.7134.4172.425.9-32.3000109.5L78 L84 K89 R466L78-P91 HydrophobicContact CD1-CB 4.31Å; L78-P91 HydrophobicContact CD2-CB 3.54Å; L78-P91 HydrophobicContact CD2-CG 4.09Å; L78-P91 HydrophobicContact CG-CB 4.48Å; L84-P91 HydrophobicContact CB-CB 4.21Å; L84-P91 HydrophobicContact CD1-CB 3.88Å; K89-P91 WeakPolarHBondContact O-CD 3.45Å; P91-R466 VanDerWaalsContact CD-NH1 3.32Å
92M76.7Confident77.1Confident35 Ų3555.6 Ų55.617%0.17229%0.293CS..PPolyproline II helixtrans-69.3148.2173.3-61.5-57.2-66.400109.7L90 S94 F294 P296 K450 F454L90-M92 PolarHBondContact O-N 3.4Å; M92-S94 PolarHBondContact O-N 3.16Å; M92-F294 HydrophobicContact CE-CD1 3.26Å; M92-F294 HydrophobicContact CE-CE1 3.09Å; M92-F294 HydrophobicContact CE-CG 4.22Å; M92-F294 HydrophobicContact CE-CZ 3.93Å; M92-P296 HydrophobicContact CB-CB 4.36Å; M92-P296 HydrophobicContact CB-CG 4.32Å; M92-K450 HydrophobicContact CE-CG 4.03Å; M92-F454 HydrophobicContact SD-CE2 4.16Å; M92-F454 HydrophobicContact SD-CZ 3.86Å
93P82.8Confident78.3Confident33 Ų3352.9 Ų52.921%0.21428%0.275CS..PPolyproline II helixtrans-62.9137.1176.827.4-35.2000110.4F294 P296P93-F294 HydrophobicContact CG-CB 4.47Å; P93-F294 VanDerWaalsContact CG-O 3.27Å; P93-F294 WeakPolarHBondContact CG-O 3.46Å; P93-P296 VanDerWaalsContact O-CD 3.24Å; P93-P296 WeakPolarHBondContact O-CD 3.34Å; P93-P296 WeakPolarHBondContact O-CG 3.27Å
94S83.2Confident79.2Confident12 Ų1253.1 Ų53.18%0.08427%0.273CS..PPolyproline II helixtrans-75.3162.6175.368.10000111.9D76 M92 F96 D97 I98D76-S94 VanDerWaalsContact O-CB 3.25Å; D76-S94 WeakPolarHBondContact O-CB 3.15Å; D76-S94 PolarHBondContact O-OG 3.12Å; M92-S94 PolarHBondContact O-N 3.16Å; S94-F96 PolarHBondContact O-N 2.82Å; S94-D97 WeakPolarHBondContact CB-OD2 3.46Å; S94-D97 PolarHBondContact N-OD2 3.24Å; S94-D97 WeakPolarHBondContact O-CB 3.22Å; S94-D97 PolarHBondContact O-N 3.08Å; S94-D97 VanDerWaalsContact O-N 3.16Å; S94-D97 PolarHBondContact OG-N 3.35Å; S94-D97 PolarHBondContact OG-OD2 3.24Å; S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 3.09Å
95L82.7Confident80.2Confident11 Ų1152.6 Ų52.66%0.05827%0.268CS..Hα-helixtrans-62.9-31.1174.9-62.4179.7000111.5Y73 I98 R99 P298Y73-L95 HydrophobicContact CE1-CB 4.45Å; L95-I98 HydrophobicContact CD2-CD1 4.21Å; L95-I98 PolarHBondContact O-N 2.78Å; L95-R99 PolarHBondContact O-N 3.14Å; L95-R99 VanDerWaalsContact O-N 3.1Å; L95-P298 HydrophobicContact CD1-CB 4.35Å
96F83.7Confident81.4Confident38 Ų3851.2 Ų51.217%0.16726%0.258CS..Hα-helixtrans-63.3-45.9172.2-177.7-88.4000111.8D76 F77 S94 I98 R99 Q100D76-F96 VanDerWaalsContact O-CB 3.25Å; D76-F96 WeakPolarHBondContact O-CB 3.42Å; D76-F96 PolarHBondContact O-N 3.38Å; F77-F96 HydrophobicContact CD1-CB 4.41Å; F77-F96 AromaticContact CD1-CD1 3.63Å; F77-F96 HydrophobicContact CD1-CD1 3.63Å; F77-F96 HydrophobicContact CD1-CD2 4.28Å; F77-F96 AromaticContact CD1-CE1 3.92Å; F77-F96 HydrophobicContact CD1-CE1 3.92Å; F77-F96 HydrophobicContact CD1-CE2 4.49Å; F77-F96 AromaticContact CD1-CG 3.84Å; F77-F96 HydrophobicContact CD1-CG 3.84Å; F77-F96 HydrophobicContact CD1-CZ 4.35Å; F77-F96 AromaticContact CE1-CD1 3.44Å; F77-F96 HydrophobicContact CE1-CD1 3.44Å; F77-F96 VanDerWaalsContact CE1-CD1 3.44Å; F77-F96 AromaticContact CE1-CD2 3.75Å; F77-F96 HydrophobicContact CE1-CD2 3.75Å; F77-F96 AromaticContact CE1-CE1 3.27Å; F77-F96 HydrophobicContact CE1-CE1 3.27Å; F77-F96 AromaticContact CE1-CE2 3.56Å; F77-F96 HydrophobicContact CE1-CE2 3.56Å; F77-F96 AromaticContact CE1-CG 3.69Å; F77-F96 HydrophobicContact CE1-CG 3.69Å; F77-F96 AromaticContact CE1-CZ 3.33Å; F77-F96 HydrophobicContact CE1-CZ 3.33Å; F77-F96 HydrophobicContact CE2-CD2 4.24Å; F77-F96 HydrophobicContact CE2-CE2 4.28Å; F77-F96 HydrophobicContact CG-CG 4.43Å; F77-F96 HydrophobicContact CZ-CD1 4.26Å; F77-F96 AromaticContact CZ-CD2 3.71Å; F77-F96 HydrophobicContact CZ-CD2 3.71Å; F77-F96 HydrophobicContact CZ-CE1 4.03Å; F77-F96 AromaticContact CZ-CE2 3.41Å; F77-F96 HydrophobicContact CZ-CE2 3.41Å; F77-F96 VanDerWaalsContact CZ-CE2 3.41Å; F77-F96 HydrophobicContact CZ-CG 4.13Å; F77-F96 AromaticContact CZ-CZ 3.61Å; F77-F96 HydrophobicContact CZ-CZ 3.61Å; S94-F96 PolarHBondContact O-N 2.82Å; F96-I98 PolarHBondContact O-N 3.35Å; F96-R99 WeakPolarHBondContact O-CB 3.48Å; F96-R99 PolarHBondContact O-N 3.47Å; F96-R99 VanDerWaalsContact O-N 3.08Å; F96-Q100 PolarHBondContact O-N 3.44Å
97D86.4Confident82.4Confident56 Ų5645.6 Ų45.630%0.29923%0.23SC..Hα-helixtrans-58.9-35.3177.7-60.5-40.8000111.5S94 Q100 N101S94-D97 WeakPolarHBondContact CB-OD2 3.46Å; S94-D97 PolarHBondContact N-OD2 3.24Å; S94-D97 WeakPolarHBondContact O-CB 3.22Å; S94-D97 PolarHBondContact O-N 3.08Å; S94-D97 VanDerWaalsContact O-N 3.16Å; S94-D97 PolarHBondContact OG-N 3.35Å; S94-D97 PolarHBondContact OG-OD2 3.24Å; D97-Q100 PolarHBondContact O-N 3.16Å; D97-N101 VanDerWaalsContact O-CB 3.32Å; D97-N101 WeakPolarHBondContact O-CB 3.31Å; D97-N101 VanDerWaalsContact O-CG 3.24Å; D97-N101 PolarHBondContact O-N 3.39Å; D97-N101 PolarHBondContact O-ND2 2.98Å
98I89.9Confident83.2Confident2 Ų245.1 Ų45.11%0.0122%0.224CC..Hα-helixtrans-69.1-43.6178.2-62.3165.9000110.3S94 L95 F96 Q100 N101 V102 L138 F294 M295S94-I98 WeakPolarHBondContact O-CG1 3.44Å; S94-I98 PolarHBondContact O-N 3.09Å; L95-I98 HydrophobicContact CD2-CD1 4.21Å; L95-I98 PolarHBondContact O-N 2.78Å; F96-I98 PolarHBondContact O-N 3.35Å; I98-Q100 VanDerWaalsContact C-N 3.32Å; I98-Q100 PolarHBondContact O-N 3.23Å; I98-N101 PolarHBondContact O-N 3.3Å; I98-V102 HydrophobicContact CG2-CG2 4.44Å; I98-V102 WeakPolarHBondContact O-CB 3.07Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.5Å; I98-V102 PolarHBondContact O-N 2.88Å; I98-L138 HydrophobicContact CG2-CD1 4.17Å; I98-F294 WeakPolarHBondContact CD1-O 3.21Å; I98-M295 HydrophobicContact CD1-CB 3.94Å; I98-M295 HydrophobicContact CD1-CG 3.73Å; I98-M295 HydrophobicContact CG2-CE 4.29Å; I98-M295 HydrophobicContact CG2-CG 4.31Å
99R90Very high84.1Confident41 Ų4139 Ų3916%0.15520%0.197CC..Hα-helixtrans-58.5-45.9174.2-170.8175.469.9-179.87.8111.2L70 Y73 L95 F96 V102 A103L70-R99 HydrophobicContact CD1-CG 4.07Å; L70-R99 HydrophobicContact CD2-CG 4.34Å; L70-R99 HydrophobicContact CG-CG 3.97Å; Y73-R99 HydrophobicContact CD1-CB 3.97Å; Y73-R99 HydrophobicContact CD1-CG 4.21Å; Y73-R99 HydrophobicContact CE1-CB 4.34Å; Y73-R99 WeakPolarHBondContact O-CD 3.42Å; Y73-R99 PolarHBondContact O-NH1 2.85Å; Y73-R99 VanDerWaalsContact O-NH1 3.09Å; L95-R99 PolarHBondContact O-N 3.14Å; L95-R99 VanDerWaalsContact O-N 3.1Å; F96-R99 WeakPolarHBondContact O-CB 3.48Å; F96-R99 PolarHBondContact O-N 3.47Å; F96-R99 VanDerWaalsContact O-N 3.08Å; R99-V102 PolarHBondContact O-N 3Å; R99-A103 WeakPolarHBondContact O-CB 3.46Å; R99-A103 PolarHBondContact O-N 2.8Å
100Q89.4Confident84.9Confident94 Ų9432.8 Ų32.844%0.43917%0.17SC..Hα-helixtrans-61.2-47.4177.2-168.6752.100111.3F96 D97 I98 V102 A103 L104F96-Q100 PolarHBondContact O-N 3.44Å; D97-Q100 PolarHBondContact O-N 3.16Å; I98-Q100 VanDerWaalsContact C-N 3.32Å; I98-Q100 PolarHBondContact O-N 3.23Å; Q100-V102 PolarHBondContact O-N 3.21Å; Q100-A103 WeakPolarHBondContact O-CB 3.17Å; Q100-A103 PolarHBondContact O-N 3.37Å; Q100-L104 HydrophobicContact CG-CD1 4.22Å; Q100-L104 VanDerWaalsContact O-CG 3.31Å; Q100-L104 WeakPolarHBondContact O-CG 3.27Å; Q100-L104 PolarHBondContact O-N 3.44Å
101N91.1Very high85.6Confident43 Ų4333.5 Ų33.523%0.2319%0.186CC..Hα-helixtrans-65.1-37.6179.1-77.2-48.5000112.5D97 I98 L104 Y105 L293D97-N101 VanDerWaalsContact O-CB 3.32Å; D97-N101 WeakPolarHBondContact O-CB 3.31Å; D97-N101 VanDerWaalsContact O-CG 3.24Å; D97-N101 PolarHBondContact O-N 3.39Å; D97-N101 PolarHBondContact O-ND2 2.98Å; I98-N101 PolarHBondContact O-N 3.3Å; N101-L104 PolarHBondContact O-N 2.86Å; N101-Y105 HydrophobicContact CB-CD2 4.27Å; N101-Y105 HydrophobicContact CB-CE2 3.99Å; N101-Y105 VanDerWaalsContact O-CB 3.31Å; N101-Y105 WeakPolarHBondContact O-CB 3.47Å; N101-Y105 VanDerWaalsContact O-CD2 3.3Å; N101-Y105 WeakPolarHBondContact O-CD2 3.08Å; N101-Y105 PolarHBondContact O-N 3.15Å; N101-L293 HydrophobicContact CB-CD1 4.18Å; N101-L293 HydrophobicContact CB-CD2 3.91Å
102V92.1Very high86Confident5 Ų534.5 Ų34.53%0.0319%0.193CC..Hα-helixtrans-65.4-43.8172.9171.60000110.2I98 R99 Q100 L104 A106 V107 L127 V142 L293I98-V102 HydrophobicContact CG2-CG2 4.44Å; I98-V102 WeakPolarHBondContact O-CB 3.07Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.5Å; I98-V102 PolarHBondContact O-N 2.88Å; R99-V102 PolarHBondContact O-N 3Å; Q100-V102 PolarHBondContact O-N 3.21Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 2.98Å; V102-A106 HydrophobicContact CG1-CB 4.12Å; V102-A106 WeakPolarHBondContact O-CA 3.45Å; V102-A106 WeakPolarHBondContact O-CB 3.3Å; V102-A106 PolarHBondContact O-N 3.43Å; V102-V107 PolarHBondContact O-N 2.82Å; V102-L127 HydrophobicContact CG2-CD2 4.29Å; V102-V142 HydrophobicContact CG1-CG2 3.36Å; V102-L293 HydrophobicContact CG2-CD1 3.68Å
103A91.1Very high86Confident28 Ų2835.7 Ų35.723%0.23120%0.203CC..Iπ-helixtrans-57.9-45.2175.200000111.9L70 R99 Q100 V107 L108L70-A103 HydrophobicContact CD2-CB 3.99Å; R99-A103 WeakPolarHBondContact O-CB 3.46Å; R99-A103 PolarHBondContact O-N 2.8Å; Q100-A103 WeakPolarHBondContact O-CB 3.17Å; Q100-A103 PolarHBondContact O-N 3.37Å; A103-V107 PolarHBondContact O-N 3.33Å; A103-L108 WeakPolarHBondContact O-CB 3.29Å; A103-L108 PolarHBondContact O-N 2.92Å
104L89.1Confident85.8Confident79 Ų7939.1 Ų39.141%0.41422%0.22SC..Iπ-helixtrans-69.3-48.7-179.1-69.8171.1000113.4Q100 N101 V102 L108Q100-L104 HydrophobicContact CG-CD1 4.22Å; Q100-L104 VanDerWaalsContact O-CG 3.31Å; Q100-L104 WeakPolarHBondContact O-CG 3.27Å; Q100-L104 PolarHBondContact O-N 3.44Å; N101-L104 PolarHBondContact O-N 2.86Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 2.98Å; L104-L108 HydrophobicContact CD2-CD2 4.37Å
105Y89.3Confident85.7Confident44 Ų4441.1 Ų41.117%0.17323%0.229CC..Iπ-helixtrans-81.4-29.8-174.5-58.3-24.6000112.7N101 R109 I122 R291 L293N101-Y105 HydrophobicContact CB-CD2 4.27Å; N101-Y105 HydrophobicContact CB-CE2 3.99Å; N101-Y105 VanDerWaalsContact O-CB 3.31Å; N101-Y105 WeakPolarHBondContact O-CB 3.47Å; N101-Y105 VanDerWaalsContact O-CD2 3.3Å; N101-Y105 WeakPolarHBondContact O-CD2 3.08Å; N101-Y105 PolarHBondContact O-N 3.15Å; Y105-R109 WeakPolarHBondContact O-CB 3.27Å; Y105-R109 WeakPolarHBondContact O-CG 3.48Å; Y105-I122 HydrophobicContact CD1-CD1 3.3Å; Y105-I122 HydrophobicContact CD2-CD1 4.43Å; Y105-I122 HydrophobicContact CE1-CD1 3.78Å; Y105-I122 HydrophobicContact CG-CD1 3.7Å; Y105-R291 HydrophobicContact CD2-CG 4.31Å; Y105-R291 HydrophobicContact CE2-CG 4.26Å; Y105-R291 PolarHBondContact OH-NH1 3.18Å; Y105-L293 HydrophobicContact CD2-CD2 4.48Å; Y105-L293 HydrophobicContact CE2-CD2 4.12Å
106A89.3Confident85.5Confident0 Ų041 Ų410%023%0.228CC..Iπ-helixtrans-107.7-66.1-170.700000111.7V102 L110 I125 V142 M269V102-A106 HydrophobicContact CG1-CB 4.12Å; V102-A106 WeakPolarHBondContact O-CA 3.45Å; V102-A106 WeakPolarHBondContact O-CB 3.3Å; V102-A106 PolarHBondContact O-N 3.43Å; A106-L110 WeakPolarHBondContact O-CB 3.21Å; A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.38Å; A106-L110 VanDerWaalsContact O-N 3.09Å; A106-I125 HydrophobicContact CB-CD1 4.15Å; A106-V142 HydrophobicContact CB-CG1 3.84Å; A106-V142 HydrophobicContact CB-CG2 3.77Å; A106-M269 VanDerWaalsContact CA-CE 3.43Å; A106-M269 VanDerWaalsContact CA-SD 3.59Å; A106-M269 HydrophobicContact CB-CE 3.43Å; A106-M269 VanDerWaalsContact CB-CE 3.43Å; A106-M269 HydrophobicContact CB-SD 3.61Å
107V89Confident85.2Confident29 Ų2945.2 Ų45.218%0.17625%0.251CS..Iπ-helixtrans-66.2-52.4-171179.20000111.3L70 V102 A103 R109 L110 G111 V142 E145 T146L70-V107 HydrophobicContact CD2-CG2 4.31Å; V102-V107 PolarHBondContact O-N 2.82Å; A103-V107 PolarHBondContact O-N 3.33Å; V107-R109 VanDerWaalsContact C-N 3.27Å; V107-R109 PolarHBondContact O-N 3.1Å; V107-L110 PolarHBondContact O-N 3.42Å; V107-G111 PolarHBondContact O-N 3.49Å; V107-V142 HydrophobicContact CG2-CG2 4.22Å; V107-E145 HydrophobicContact CG1-CB 3.86Å; V107-E145 HydrophobicContact CG2-CB 4.17Å; V107-E145 HydrophobicContact CG2-CG 4.49Å; V107-T146 HydrophobicContact CB-CG2 4.39Å; V107-T146 HydrophobicContact CG1-CG2 4.18Å
108L86.7Confident84.8Confident79 Ų7950.4 Ų50.441%0.41428%0.276SS..Hα-helixtrans-61.3-38.9-176.6-168.868.5000112A103 L104 S112 I115A103-L108 WeakPolarHBondContact O-CB 3.29Å; A103-L108 PolarHBondContact O-N 2.92Å; L104-L108 HydrophobicContact CD2-CD2 4.37Å; L108-S112 PolarHBondContact O-N 2.96Å; L108-I115 HydrophobicContact CD1-CD1 3.51Å; L108-I115 HydrophobicContact CD2-CD1 4.26Å; L108-I115 HydrophobicContact CD2-CG2 4.07Å; L108-I115 HydrophobicContact CG-CD1 3.74Å; L108-I115 HydrophobicContact CG-CG2 3.98Å
109R83.4Confident84.1Confident12 Ų1251.9 Ų51.95%0.04529%0.289CS..Hα-helixtrans-74.2-29.1-179-74.7-68.9-60.4-167.3-3.4114Y105 V107 I115 H116 A119Y105-R109 WeakPolarHBondContact O-CB 3.27Å; Y105-R109 WeakPolarHBondContact O-CG 3.48Å; V107-R109 VanDerWaalsContact C-N 3.27Å; V107-R109 PolarHBondContact O-N 3.1Å; R109-I115 PolarHBondContact NH1-O 3.49Å; R109-H116 VanDerWaalsContact CZ-CA 3.42Å; R109-H116 VanDerWaalsContact NH1-C 3.27Å; R109-H116 PolarHBondContact NH1-O 3.28Å; R109-H116 PolarHBondContact NH2-CE1 3.46Å; R109-H116 PolarHBondContact NH2-ND1 3.49Å; R109-H116 PolarHBondContact NH2-O 3.26Å; R109-H116 PolarHBondContact O-ND1 2.9Å; R109-A119 VanDerWaalsContact NH1-CA 3.31Å; R109-A119 PolarHBondContact NH1-O 3.22Å
110L82.8Confident83.3Confident3 Ų354.8 Ų54.82%0.01631%0.313CS..Hα-helixtrans-89.7-31.6176.6-70.6-176.7000112A106 V107 V142 T146 P223 V225 M269A106-L110 WeakPolarHBondContact O-CB 3.21Å; A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.38Å; A106-L110 VanDerWaalsContact O-N 3.09Å; V107-L110 PolarHBondContact O-N 3.42Å; L110-V142 HydrophobicContact CD1-CG1 4.2Å; L110-T146 HydrophobicContact CB-CG2 3.6Å; L110-T146 HydrophobicContact CD1-CG2 4.12Å; L110-T146 HydrophobicContact CG-CG2 4.49Å; L110-P223 HydrophobicContact CB-CB 3.88Å; L110-P223 HydrophobicContact CB-CG 4.35Å; L110-P223 HydrophobicContact CD1-CB 4.35Å; L110-P223 HydrophobicContact CD2-CB 3.86Å; L110-P223 HydrophobicContact CG-CB 4.24Å; L110-V225 HydrophobicContact CD1-CG2 3.6Å; L110-M269 HydrophobicContact CD1-CE 3.24Å; L110-M269 HydrophobicContact CD2-CB 4.35Å; L110-M269 HydrophobicContact CD2-CE 4.33Å; L110-M269 HydrophobicContact CG-CE 3.68Å
111G78.3Confident82.6Confident51 Ų5152.3 Ų52.353%0.52630%0.302SS..Hα-helixtrans-72-45.1-176.700000113.7V107V107-G111 PolarHBondContact O-N 3.49Å
112S79.8Confident82.3Confident30 Ų3051.1 Ų51.121%0.2130%0.296CS..  trans-110.2125.3178.9172.70000111.8L108 D114 I115 H116L108-S112 PolarHBondContact O-N 2.96Å; S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact OG-N 3.43Å; S112-I115 PolarHBondContact OG-N 3.29Å; S112-H116 PolarHBondContact O-N 2.87Å
113P75.2Confident82Confident59 Ų5954.2 Ų54.238%0.38331%0.307SS..Hα-helixtrans-66.5-32174.128.4-32.9000112.3H116 I117P113-H116 WeakPolarHBondContact O-CA 3.31Å; P113-H116 VanDerWaalsContact O-CB 3.24Å; P113-H116 WeakPolarHBondContact O-CB 3.35Å; P113-H116 PolarHBondContact O-N 3.23Å; P113-H116 VanDerWaalsContact O-N 3.15Å; P113-I117 PolarHBondContact O-N 2.86Å; P113-I117 VanDerWaalsContact O-N 3.13Å
114D79.3Confident82Confident105 Ų10552.9 Ų52.956%0.56130%0.296SS*.Hα-helixtrans-68.1-46.1-178.3-52-49.7000110.9S112 H116 I117 M118S112-D114 VanDerWaalsContact C-N 3.31Å; S112-D114 PolarHBondContact OG-N 3.43Å; D114-H116 PolarHBondContact O-N 3.41Å; D114-I117 PolarHBondContact O-N 3.37Å; D114-I117 VanDerWaalsContact O-N 3.07Å; D114-M118 WeakPolarHBondContact O-CG 3.5Å; D114-M118 PolarHBondContact O-N 3.39Å
115I80.4Confident82.2Confident55 Ų5549.2 Ų49.228%0.28228%0.276SS..Hα-helixtrans-64.9-28.8174.7-55.6175.3000110.3L108 R109 S112 I117 A119L108-I115 HydrophobicContact CD1-CD1 3.51Å; L108-I115 HydrophobicContact CD2-CD1 4.26Å; L108-I115 HydrophobicContact CD2-CG2 4.07Å; L108-I115 HydrophobicContact CG-CD1 3.74Å; L108-I115 HydrophobicContact CG-CG2 3.98Å; R109-I115 PolarHBondContact NH1-O 3.49Å; S112-I115 PolarHBondContact OG-N 3.29Å; I115-I117 VanDerWaalsContact C-N 3.32Å; I115-I117 PolarHBondContact O-N 3.48Å; I115-A119 HydrophobicContact CG2-CB 4.22Å; I115-A119 WeakPolarHBondContact O-CB 3.1Å; I115-A119 PolarHBondContact O-N 2.96Å
116H78.6Confident82.5Confident8 Ų847.1 Ų47.14%0.03727%0.268CS..Hα-helixtrans-65.9-33.4174.6-162.489.5000113.1R109 S112 P113 D114 P264 D266R109-H116 VanDerWaalsContact CZ-CA 3.42Å; R109-H116 VanDerWaalsContact NH1-C 3.27Å; R109-H116 PolarHBondContact NH1-O 3.28Å; R109-H116 PolarHBondContact NH2-CE1 3.46Å; R109-H116 PolarHBondContact NH2-ND1 3.49Å; R109-H116 PolarHBondContact NH2-O 3.26Å; R109-H116 PolarHBondContact O-ND1 2.9Å; S112-H116 PolarHBondContact O-N 2.87Å; P113-H116 WeakPolarHBondContact O-CA 3.31Å; P113-H116 VanDerWaalsContact O-CB 3.24Å; P113-H116 WeakPolarHBondContact O-CB 3.35Å; P113-H116 PolarHBondContact O-N 3.23Å; P113-H116 VanDerWaalsContact O-N 3.15Å; D114-H116 PolarHBondContact O-N 3.41Å; H116-P264 PolarHBondContact CD2-O 3.02Å; H116-P264 PolarHBondContact NE2-O 3.49Å; H116-D266 PolarHBondContact NE2-O 2.85Å
117I77.4Confident82.8Confident126 Ų12647.3 Ų47.365%0.64627%0.269SS*.Hα-helixtrans-80.9-40.5177.4-63.4165.9000110.5P113 D114 I115P113-I117 PolarHBondContact O-N 2.86Å; P113-I117 VanDerWaalsContact O-N 3.13Å; D114-I117 PolarHBondContact O-N 3.37Å; D114-I117 VanDerWaalsContact O-N 3.07Å; I115-I117 VanDerWaalsContact C-N 3.32Å; I115-I117 PolarHBondContact O-N 3.48Å
118M78.8Confident83Confident165 Ų16545.9 Ų45.981%0.81326%0.261SS*.Hα-helixtrans-78.2-40.2-172.9-65.8178.771.400114.3D114D114-M118 WeakPolarHBondContact O-CG 3.5Å; D114-M118 PolarHBondContact O-N 3.39Å
119A75.3Confident83.3Confident34 Ų3442.1 Ų42.128%0.28124%0.241SC..SBendtrans-79.5158.7-17600000112.4R109 I115 L121R109-A119 VanDerWaalsContact NH1-CA 3.31Å; R109-A119 PolarHBondContact NH1-O 3.22Å; I115-A119 HydrophobicContact CG2-CB 4.22Å; I115-A119 WeakPolarHBondContact O-CB 3.1Å; I115-A119 PolarHBondContact O-N 2.96Å; A119-L121 PolarHBondContact O-N 3.17Å
120P72.9Confident83.7Confident101 Ų10142 Ų4266%0.65624%0.242SC*.  trans-57.8128.9175.521.6-33000111.2I122P120-I122 PolarHBondContact O-N 3.25Å
121L75.4Confident84Confident42 Ų4245.7 Ų45.722%0.2227%0.268CS..  trans-68102.7-177.3-177.765.9000110.7A119 R123 P264A119-L121 PolarHBondContact O-N 3.17Å; L121-R123 HydrophobicContact CD1-CG 4.5Å; L121-R123 HydrophobicContact CD2-CG 4.1Å; L121-R123 HydrophobicContact CG-CG 3.93Å; L121-P264 HydrophobicContact CD2-CB 4.16Å; L121-P264 HydrophobicContact CD2-CG 4.02Å
122I84.9Confident84.4Confident19 Ų1944.5 Ų44.510%0.09726%0.256CS..  trans-96.1110.4168.2-61.7166.4000107.2Y105 P120 I125 E290 R291Y105-I122 HydrophobicContact CD1-CD1 3.3Å; Y105-I122 HydrophobicContact CD2-CD1 4.43Å; Y105-I122 HydrophobicContact CE1-CD1 3.78Å; Y105-I122 HydrophobicContact CG-CD1 3.7Å; P120-I122 PolarHBondContact O-N 3.25Å; I122-I125 HydrophobicContact CG2-CG1 4.16Å; I122-E290 WeakPolarHBondContact CA-OE2 3.45Å; I122-R291 HydrophobicContact CD1-CG 4.07Å; I122-R291 HydrophobicContact CG1-CG 4.26Å; I122-R291 HydrophobicContact CG2-CB 4.35Å; I122-R291 HydrophobicContact CG2-CG 3.66Å
123R85.7Confident84.8Confident69 Ų6943.3 Ų43.326%0.2625%0.247SC..  trans-85.5-27.3-178.3-59.4-175.4-178.193.7-3.3112.6L121 L259 L270 E290L121-R123 HydrophobicContact CD1-CG 4.5Å; L121-R123 HydrophobicContact CD2-CG 4.1Å; L121-R123 HydrophobicContact CG-CG 3.93Å; R123-L259 VanDerWaalsContact CD-O 3.3Å; R123-L259 WeakPolarHBondContact CD-O 3.43Å; R123-L270 PolarHBondContact O-N 2.86Å; R123-E290 PolarHBondContact N-OE2 3.09Å; R123-E290 IonicContact NH1-OE1 2.73Å; R123-E290 PolarHBondContact NH1-OE1 3.45Å; R123-E290 VanDerWaalsContact NH1-OE1 3.13Å
124S90.8Very high85.4Confident0 Ų041.5 Ų41.50%024%0.239CC..EExtended strand (participates in β ladder)trans-148.5137.1-168.3570000114.2L270 V288 Y289 E290 R291S124-L270 CarbonylContact C-O 3.55Å; S124-L270 VanDerWaalsContact CA-O 3.22Å; S124-L270 WeakPolarHBondContact CA-O 3Å; S124-V288 VanDerWaalsContact CB-O 3.28Å; S124-V288 WeakPolarHBondContact CB-O 3.48Å; S124-V288 PolarHBondContact OG-O 2.93Å; S124-Y289 VanDerWaalsContact OG-CA 3.3Å; S124-Y289 WeakPolarHBondContact OG-CA 3.19Å; S124-E290 PolarHBondContact O-N 3.08Å; S124-E290 PolarHBondContact OG-N 3.31Å; S124-R291 PolarHBondContact O-N 3.3Å; S124-R291 VanDerWaalsContact O-N 3.09Å
125I94Very high86.1Confident2 Ų237.4 Ų37.41%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-125136.2179.1-54.7175.3000108.8A106 I122 L127 M269 L270 I271 G272 Y289 R291 L293A106-I125 HydrophobicContact CB-CD1 4.15Å; I122-I125 HydrophobicContact CG2-CG1 4.16Å; I125-L127 HydrophobicContact CG2-CD2 4.19Å; I125-M269 HydrophobicContact CD1-SD 3.55Å; I125-M269 VanDerWaalsContact CD1-SD 3.55Å; I125-M269 HydrophobicContact CG1-SD 4.22Å; I125-L270 PolarHBondContact N-O 2.92Å; I125-I271 CarbonylContact O-C 3.54Å; I125-I271 VanDerWaalsContact O-CA 3.31Å; I125-I271 WeakPolarHBondContact O-CA 3.33Å; I125-G272 PolarHBondContact O-N 3.44Å; I125-Y289 WeakPolarHBondContact O-CD1 3.4Å; I125-R291 CarbonylContact C-O 3.59Å; I125-R291 WeakPolarHBondContact CA-O 3.49Å; I125-R291 HydrophobicContact CG1-CB 4.43Å; I125-L293 HydrophobicContact CG2-CD1 3.85Å; I125-L293 HydrophobicContact CG2-CG 4.05Å
126L94.9Very high86.7Confident0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-114.9119.1171.9-177.568.4000109.9V128 A231 G272 T274 L285 Y289 R291 I292 L293 W452L126-V128 HydrophobicContact CD2-CG2 3.67Å; L126-V128 HydrophobicContact CG-CG2 3.7Å; L126-A231 HydrophobicContact CD1-CB 4.15Å; L126-G272 WeakPolarHBondContact CA-O 3.49Å; L126-T274 HydrophobicContact CD1-CG2 3.88Å; L126-T274 HydrophobicContact CD2-CG2 4.21Å; L126-T274 HydrophobicContact CG-CG2 4.1Å; L126-L285 HydrophobicContact CD2-CD1 4.36Å; L126-L285 HydrophobicContact CD2-CD2 3.54Å; L126-L285 HydrophobicContact CD2-CG 3.87Å; L126-Y289 HydrophobicContact CB-CD1 3.77Å; L126-Y289 HydrophobicContact CB-CD2 4.21Å; L126-Y289 HydrophobicContact CB-CE1 4.43Å; L126-Y289 HydrophobicContact CB-CG 3.64Å; L126-Y289 HydrophobicContact CD1-CD1 4.38Å; L126-Y289 HydrophobicContact CD1-CD2 4.08Å; L126-Y289 HydrophobicContact CD1-CE1 4.28Å; L126-Y289 HydrophobicContact CD1-CE2 3.97Å; L126-Y289 HydrophobicContact CD1-CG 4.28Å; L126-Y289 HydrophobicContact CD2-CD2 4.24Å; L126-Y289 HydrophobicContact CD2-CG 4.42Å; L126-Y289 HydrophobicContact CG-CD2 4.41Å; L126-Y289 HydrophobicContact CG-CG 4.33Å; L126-R291 PolarHBondContact N-O 3.45Å; L126-I292 HydrophobicContact CB-CG1 4.32Å; L126-I292 HydrophobicContact CD2-CG1 4.32Å; L126-I292 HydrophobicContact CD2-CG2 4.36Å; L126-I292 CarbonylContact O-C 3.46Å; L126-I292 WeakPolarHBondContact O-CA 3.46Å; L126-L293 PolarHBondContact O-N 3.31Å; L126-W452 HydrophobicContact CD2-CH2 4.47Å
127L95.2Very high87.3Confident4 Ų443.4 Ų43.42%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-89.1116.1170.6-55.3-178000109.2V102 I125 K135 L138 V139 I271 G272 T273 T274 L293 M295V102-L127 HydrophobicContact CG2-CD2 4.29Å; I125-L127 HydrophobicContact CG2-CD2 4.19Å; L127-K135 HydrophobicContact CB-CD 4.25Å; L127-K135 HydrophobicContact CB-CG 4.17Å; L127-L138 HydrophobicContact CD1-CB 4.04Å; L127-L138 HydrophobicContact CD1-CD1 4.2Å; L127-V139 HydrophobicContact CD1-CG2 4.31Å; L127-I271 HydrophobicContact CD1-CG2 4.34Å; L127-I271 HydrophobicContact CG-CG2 4.29Å; L127-G272 PolarHBondContact N-O 3.32Å; L127-T273 HydrophobicContact CB-CG2 4.32Å; L127-T273 HydrophobicContact CD1-CG2 4.28Å; L127-T274 PolarHBondContact O-N 3.36Å; L127-L293 HydrophobicContact CD2-CB 3.91Å; L127-L293 HydrophobicContact CD2-CD1 3.82Å; L127-L293 HydrophobicContact CD2-CG 4.32Å; L127-M295 HydrophobicContact CB-SD 4.39Å
128V93.8Very high88Confident0 Ų037.5 Ų37.50%021%0.212CC..EExtended strand (participates in β ladder)trans-116.2131.2-177.5-176.80000109.2L126 T274 P277 I292 L293 F294 M295 L449 W452L126-V128 HydrophobicContact CD2-CG2 3.67Å; L126-V128 HydrophobicContact CG-CG2 3.7Å; V128-T274 HydrophobicContact CB-CG2 4.07Å; V128-T274 HydrophobicContact CG1-CG2 4.11Å; V128-T274 HydrophobicContact CG2-CG2 3.6Å; V128-P277 HydrophobicContact CG1-CB 4.36Å; V128-P277 HydrophobicContact CG1-CG 3.74Å; V128-I292 HydrophobicContact CB-CG2 4.49Å; V128-I292 HydrophobicContact CG2-CG2 3.55Å; V128-L293 PolarHBondContact N-O 3.46Å; V128-F294 HydrophobicContact CB-CD2 4.46Å; V128-F294 HydrophobicContact CG1-CD2 4.19Å; V128-F294 CarbonylContact O-C 3.41Å; V128-F294 WeakPolarHBondContact O-CA 3.27Å; V128-M295 PolarHBondContact O-N 3.14Å; V128-L449 HydrophobicContact CG1-CD2 4.32Å; V128-W452 HydrophobicContact CG1-CE3 4.36Å; V128-W452 HydrophobicContact CG1-CZ3 4Å; V128-W452 HydrophobicContact CG2-CH2 4.27Å; V128-W452 HydrophobicContact CG2-CZ3 3.99Å
129G92.3Very high88.7Confident0 Ų029.7 Ų29.70%017%0.174CC..  trans169.8175.317200000111.5K135 T274 S275G129-K135 PolarHBondContact O-NZ 2.87Å; G129-T274 PolarHBondContact N-O 3.4Å; G129-S275 VanDerWaalsContact O-CA 3.32Å; G129-S275 WeakPolarHBondContact O-CA 3.42Å
130P91.8Very high89.5Confident8 Ų830.3 Ų30.35%0.05217%0.17CC..  trans-60.7161177.825.2-32000112.1M133 K135 M295 V441P130-M133 HydrophobicContact CG-CE 3.81Å; P130-M133 HydrophobicContact CG-CG 3.71Å; P130-M133 HydrophobicContact CG-SD 4.42Å; P130-M133 WeakPolarHBondContact O-CG 3.48Å; P130-K135 PolarHBondContact O-NZ 3.02Å; P130-M295 WeakPolarHBondContact CD-O 3.35Å; P130-V441 HydrophobicContact CB-CG1 3.93Å; P130-V441 HydrophobicContact CB-CG2 3.98Å
131S89.6Confident90.4Very high82 Ų8225.5 Ų25.557%0.57314%0.139SC*.THydrogen-bonded Turntrans-60.4150.9175.2-165.10000110.4M133 T401S131-M133 PolarHBondContact O-N 3.45Å; S131-T401 WeakPolarHBondContact O-CG2 3.44Å
132G86.1Confident91.2Very high26 Ų2623.6 Ų23.627%0.26813%0.129SC..THydrogen-bonded Turntrans79.84.3178.700000116.7G134 G403G132-G134 PolarHBondContact O-N 3.24Å; G132-G403 WeakPolarHBondContact O-CA 3.38Å; G132-G403 PolarHBondContact O-N 3.09Å
133M89.1Confident91.5Very high4 Ų422.8 Ų22.82%0.0213%0.125CC..SBendtrans-78.99.3173.4-68.6-62.4135.500114.9P130 S131 K135 M295 R297 T401 P402P130-M133 HydrophobicContact CG-CE 3.81Å; P130-M133 HydrophobicContact CG-CG 3.71Å; P130-M133 HydrophobicContact CG-SD 4.42Å; P130-M133 WeakPolarHBondContact O-CG 3.48Å; S131-M133 PolarHBondContact O-N 3.45Å; M133-K135 VanDerWaalsContact C-N 3.32Å; M133-K135 PolarHBondContact O-N 3.49Å; M133-M295 HydrophobicContact CB-CB 4.39Å; M133-M295 HydrophobicContact CB-CE 4.21Å; M133-M295 HydrophobicContact CB-SD 4.35Å; M133-M295 VanDerWaalsContact O-CE 3.3Å; M133-M295 WeakPolarHBondContact O-CE 3.49Å; M133-R297 HydrophobicContact CE-CB 4.47Å; M133-R297 HydrophobicContact CE-CG 4.39Å; M133-T401 HydrophobicContact CE-CG2 3.24Å; M133-P402 VanDerWaalsContact CE-CD 3.41Å; M133-P402 HydrophobicContact SD-CG 4.22Å
134G88.4Confident91.6Very high21 Ų2121.6 Ų21.622%0.21613%0.125CC..SBendtrans73.317.9-177.600000115G132 K136 M137 L138G132-G134 PolarHBondContact O-N 3.24Å; G134-K136 VanDerWaalsContact C-N 3.29Å; G134-K136 PolarHBondContact O-N 3.46Å; G134-M137 WeakPolarHBondContact O-CA 3.44Å; G134-M137 VanDerWaalsContact O-CB 3.27Å; G134-M137 WeakPolarHBondContact O-CB 3.5Å; G134-M137 PolarHBondContact O-N 2.86Å; G134-L138 PolarHBondContact O-N 2.85Å
135K92.9Very high91.5Very high20 Ų2026 Ų269%0.08715%0.146CC..Hα-helixtrans-47.8-48.6174.4-72.3-171.5-61-88.80113.3L127 G129 P130 M133 L138 V139 T273 T274 M295L127-K135 HydrophobicContact CB-CD 4.25Å; L127-K135 HydrophobicContact CB-CG 4.17Å; G129-K135 PolarHBondContact O-NZ 2.87Å; P130-K135 PolarHBondContact O-NZ 3.02Å; M133-K135 VanDerWaalsContact C-N 3.32Å; M133-K135 PolarHBondContact O-N 3.49Å; K135-L138 PolarHBondContact O-N 3.04Å; K135-V139 PolarHBondContact O-N 2.56Å; K135-T273 HydrophobicContact CB-CG2 3.93Å; K135-T274 WeakPolarHBondContact CD-O 3.41Å; K135-T274 VanDerWaalsContact CE-O 3.24Å; K135-T274 WeakPolarHBondContact CE-O 3.38Å; K135-T274 PolarHBondContact NZ-O 3.16Å; K135-M295 HydrophobicContact CB-SD 4.44Å; K135-M295 HydrophobicContact CD-SD 4.24Å; K135-M295 HydrophobicContact CG-CE 4.48Å; K135-M295 HydrophobicContact CG-SD 3.36Å; K135-M295 WeakPolarHBondContact CG-SD 3.47Å
136K92.1Very high91.1Very high113 Ų11326.8 Ų26.849%0.49115%0.151SC..Hα-helixtrans-69.7-34.1178.7-171.4175.5-176.9176.60112G134 V139 K140 W227G134-K136 VanDerWaalsContact C-N 3.29Å; G134-K136 PolarHBondContact O-N 3.46Å; K136-V139 PolarHBondContact O-N 3.14Å; K136-K140 WeakPolarHBondContact O-CG 3.28Å; K136-K140 PolarHBondContact O-N 3.45Å; K136-K140 VanDerWaalsContact O-N 3.12Å; K136-W227 HydrophobicContact CD-CH2 4.04Å; K136-W227 HydrophobicContact CD-CZ2 4.2Å; K136-W227 HydrophobicContact CG-CH2 4.35Å; K136-W227 HydrophobicContact CG-CZ2 4.16Å
137M91.9Very high90.5Very high75 Ų7528.9 Ų28.937%0.36917%0.172SC..Hα-helixtrans-63.1-43175.5-176.5-172.5-84.800110.8V68 G134 V139 K140 A141V68-M137 HydrophobicContact CG1-CG 3.76Å; V68-M137 HydrophobicContact CG1-SD 4.44Å; G134-M137 WeakPolarHBondContact O-CA 3.44Å; G134-M137 VanDerWaalsContact O-CB 3.27Å; G134-M137 WeakPolarHBondContact O-CB 3.5Å; G134-M137 PolarHBondContact O-N 2.86Å; M137-V139 PolarHBondContact O-N 2.99Å; M137-K140 PolarHBondContact O-N 2.88Å; M137-A141 WeakPolarHBondContact O-CB 3.12Å; M137-A141 PolarHBondContact O-N 2.77Å
138L92.6Very high89.9Confident2 Ų229 Ų291%0.0117%0.174CC..Hα-helixtrans-60.4-41.8175.7-76.2173.9000112.7L70 Y73 I98 L127 G134 K135 A141 V142 M295L70-L138 HydrophobicContact CD1-CD2 3.91Å; Y73-L138 HydrophobicContact CD1-CD2 3.77Å; Y73-L138 HydrophobicContact CD2-CD1 4.38Å; Y73-L138 HydrophobicContact CD2-CD2 3.68Å; Y73-L138 HydrophobicContact CD2-CG 3.79Å; Y73-L138 HydrophobicContact CE1-CD1 4.32Å; Y73-L138 HydrophobicContact CE1-CD2 4.12Å; Y73-L138 HydrophobicContact CE2-CD1 3.9Å; Y73-L138 HydrophobicContact CE2-CD2 4.05Å; Y73-L138 HydrophobicContact CE2-CG 3.79Å; Y73-L138 HydrophobicContact CG-CD2 3.54Å; Y73-L138 HydrophobicContact CG-CG 4.18Å; I98-L138 HydrophobicContact CG2-CD1 4.17Å; L127-L138 HydrophobicContact CD1-CB 4.04Å; L127-L138 HydrophobicContact CD1-CD1 4.2Å; G134-L138 PolarHBondContact O-N 2.85Å; K135-L138 PolarHBondContact O-N 3.04Å; L138-A141 PolarHBondContact O-N 3.4Å; L138-V142 WeakPolarHBondContact O-CG2 3.15Å; L138-V142 PolarHBondContact O-N 3.12Å; L138-M295 HydrophobicContact CD1-CE 3.48Å; L138-M295 VanDerWaalsContact CD1-CE 3.48Å; L138-M295 HydrophobicContact CD1-SD 4.4Å
139V93.8Very high89.5Confident2 Ų230.7 Ų30.71%0.01218%0.183CC..Hα-helixtrans-61.3-45.8176177.90000111L127 K135 K136 M137 A141 V142 C143 L150 V225 W227 I271 T273L127-V139 HydrophobicContact CD1-CG2 4.31Å; K135-V139 PolarHBondContact O-N 2.56Å; K136-V139 PolarHBondContact O-N 3.14Å; M137-V139 PolarHBondContact O-N 2.99Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 2.93Å; V139-V142 PolarHBondContact O-N 2.92Å; V139-C143 PolarHBondContact O-N 2.99Å; V139-C143 VanDerWaalsContact O-N 3.14Å; V139-C143 PolarHBondContact O-SG 3.38Å; V139-L150 HydrophobicContact CG1-CD1 3.93Å; V139-V225 HydrophobicContact CG1-CG1 4.4Å; V139-W227 HydrophobicContact CG1-CB 3.93Å; V139-W227 HydrophobicContact CG1-CG 3.86Å; V139-I271 HydrophobicContact CG2-CB 4.37Å; V139-I271 HydrophobicContact CG2-CG2 3.73Å; V139-T273 HydrophobicContact CG2-CG2 3.92Å
140K92.3Very high89.3Confident46 Ų4631.3 Ų31.320%0.219%0.186CC..Hα-helixtrans-62.9-39.6176-69.5175.3171-170.70112E66 V68 K136 M137 C143 T144E66-K140 HydrophobicContact CB-CD 4.32Å; E66-K140 IonicContact OE2-NZ 3.24Å; E66-K140 PolarHBondContact OE2-NZ 3.32Å; V68-K140 HydrophobicContact CG2-CB 4.42Å; K136-K140 WeakPolarHBondContact O-CG 3.28Å; K136-K140 PolarHBondContact O-N 3.45Å; K136-K140 VanDerWaalsContact O-N 3.12Å; M137-K140 PolarHBondContact O-N 2.88Å; K140-C143 PolarHBondContact O-N 3.48Å; K140-T144 PolarHBondContact O-N 3.22Å; K140-T144 PolarHBondContact O-OG1 3.39Å
141A91.8Very high89.2Confident1 Ų131.1 Ų31.11%0.00818%0.184CC..Hα-helixtrans-63.3-45.4177.400000111.5V68 L70 M137 L138 V139 C143 T144 E145V68-A141 VanDerWaalsContact O-CA 3.29Å; V68-A141 WeakPolarHBondContact O-CA 3.38Å; L70-A141 HydrophobicContact CB-CB 4.39Å; L70-A141 HydrophobicContact CD1-CB 4.11Å; M137-A141 WeakPolarHBondContact O-CB 3.12Å; M137-A141 PolarHBondContact O-N 2.77Å; L138-A141 PolarHBondContact O-N 3.4Å; V139-A141 VanDerWaalsContact C-N 3.33Å; V139-A141 PolarHBondContact O-N 2.93Å; A141-C143 VanDerWaalsContact C-N 3.27Å; A141-C143 PolarHBondContact O-N 2.92Å; A141-T144 PolarHBondContact O-N 3.07Å; A141-E145 WeakPolarHBondContact O-CG 3.09Å; A141-E145 PolarHBondContact O-N 3.24Å
142V91.9Very high89.3Confident1 Ų127.9 Ų27.91%0.00616%0.161CC..Hα-helixtrans-56.3-43.3173.41720000111.2V102 A106 V107 L110 L138 V139 T144 T146 V225 M269 I271V102-V142 HydrophobicContact CG1-CG2 3.36Å; A106-V142 HydrophobicContact CB-CG1 3.84Å; A106-V142 HydrophobicContact CB-CG2 3.77Å; V107-V142 HydrophobicContact CG2-CG2 4.22Å; L110-V142 HydrophobicContact CD1-CG1 4.2Å; L138-V142 WeakPolarHBondContact O-CG2 3.15Å; L138-V142 PolarHBondContact O-N 3.12Å; V139-V142 PolarHBondContact O-N 2.92Å; V142-T144 VanDerWaalsContact C-N 3.31Å; V142-T144 PolarHBondContact O-N 3.33Å; V142-T146 WeakPolarHBondContact O-CB 3.23Å; V142-T146 VanDerWaalsContact O-CG2 3.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.31Å; V142-T146 PolarHBondContact O-N 3.37Å; V142-T146 VanDerWaalsContact O-N 3.14Å; V142-T146 PolarHBondContact O-OG1 3.31Å; V142-V225 HydrophobicContact CG1-CG2 4.23Å; V142-M269 HydrophobicContact CG1-CE 4Å; V142-I271 HydrophobicContact CG1-CD1 4.31Å
143C90.3Very high89.4Confident2 Ų226.7 Ų26.71%0.01415%0.148CC..Hα-helixtrans-65.2-36.3178.1-59.30000112.2S65 V139 K140 A141 G147 A148S65-C143 VanDerWaalsContact OG-CB 3.25Å; S65-C143 WeakPolarHBondContact OG-CB 3.16Å; V139-C143 PolarHBondContact O-N 2.99Å; V139-C143 VanDerWaalsContact O-N 3.14Å; V139-C143 PolarHBondContact O-SG 3.38Å; K140-C143 PolarHBondContact O-N 3.48Å; A141-C143 VanDerWaalsContact C-N 3.27Å; A141-C143 PolarHBondContact O-N 2.92Å; C143-G147 CarbonylContact O-C 3.49Å; C143-G147 VanDerWaalsContact O-CA 3.32Å; C143-G147 WeakPolarHBondContact O-CA 3.49Å; C143-G147 PolarHBondContact O-N 3.32Å; C143-A148 PolarHBondContact O-N 3.14Å
144T89.1Confident89.3Confident44 Ų4426.9 Ų26.927%0.2715%0.15SC..Hα-helixtrans-69.3-49.1178.8-54.30000111.4E66 V68 K140 A141 V142 T146 G147E66-T144 PolarHBondContact O-OG1 3.06Å; V68-T144 PolarHBondContact N-OG1 3.41Å; V68-T144 VanDerWaalsContact N-OG1 3.11Å; V68-T144 VanDerWaalsContact O-CB 3.23Å; V68-T144 WeakPolarHBondContact O-CB 3.33Å; V68-T144 PolarHBondContact O-OG1 2.84Å; K140-T144 PolarHBondContact O-N 3.22Å; K140-T144 PolarHBondContact O-OG1 3.39Å; A141-T144 PolarHBondContact O-N 3.07Å; V142-T144 VanDerWaalsContact C-N 3.31Å; V142-T144 PolarHBondContact O-N 3.33Å; T144-T146 VanDerWaalsContact C-N 3.26Å; T144-T146 PolarHBondContact O-N 3.08Å; T144-G147 PolarHBondContact O-N 2.88Å
145E87.4Confident89.1Confident93 Ų9326 Ų2644%0.43514%0.141SC..Hα-helixtrans-66.1-29.1-178.8-62.4-63.2164.800112.7L70 V107 A141L70-E145 HydrophobicContact CB-CG 3.94Å; L70-E145 PolarHBondContact N-OE1 3.48Å; V107-E145 HydrophobicContact CG1-CB 3.86Å; V107-E145 HydrophobicContact CG2-CB 4.17Å; V107-E145 HydrophobicContact CG2-CG 4.49Å; A141-E145 WeakPolarHBondContact O-CG 3.09Å; A141-E145 PolarHBondContact O-N 3.24Å
146T85.4Confident88.6Confident18 Ų1830.2 Ų30.211%0.1116%0.16CC..Hα-helixtrans-100-7.9-177.360.90000113.3V107 L110 V142 T144 A148 P223V107-T146 HydrophobicContact CB-CG2 4.39Å; V107-T146 HydrophobicContact CG1-CG2 4.18Å; L110-T146 HydrophobicContact CB-CG2 3.6Å; L110-T146 HydrophobicContact CD1-CG2 4.12Å; L110-T146 HydrophobicContact CG-CG2 4.49Å; V142-T146 WeakPolarHBondContact O-CB 3.23Å; V142-T146 VanDerWaalsContact O-CG2 3.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.31Å; V142-T146 PolarHBondContact O-N 3.37Å; V142-T146 VanDerWaalsContact O-N 3.14Å; V142-T146 PolarHBondContact O-OG1 3.31Å; T144-T146 VanDerWaalsContact C-N 3.26Å; T144-T146 PolarHBondContact O-N 3.08Å; T146-A148 PolarHBondContact O-N 3.33Å; T146-A148 WeakPolarHBondContact OG1-CB 3.29Å; T146-A148 PolarHBondContact OG1-N 2.73Å; T146-P223 WeakPolarHBondContact O-CG 3.33Å
147G82Confident88.3Confident44 Ų4425.7 Ų25.745%0.45414%0.142SC..THydrogen-bonded Turntrans59.227.4-170.100000113.2C143 T144C143-G147 CarbonylContact O-C 3.49Å; C143-G147 VanDerWaalsContact O-CA 3.32Å; C143-G147 WeakPolarHBondContact O-CA 3.49Å; C143-G147 PolarHBondContact O-N 3.32Å; T144-G147 PolarHBondContact O-N 2.88Å
148A83.1Confident87.8Confident6 Ų622.9 Ų22.95%0.0513%0.128CC..  trans-81.4148.1-171.600000113.5C143 T146 P223 V225C143-A148 PolarHBondContact O-N 3.14Å; T146-A148 PolarHBondContact O-N 3.33Å; T146-A148 WeakPolarHBondContact OG1-CB 3.29Å; T146-A148 PolarHBondContact OG1-N 2.73Å; A148-P223 CarbonylContact C-O 3.59Å; A148-P223 WeakPolarHBondContact CA-O 3.12Å; A148-P223 HydrophobicContact CB-CB 4.18Å; A148-P223 HydrophobicContact CB-CG 3.99Å; A148-P223 WeakPolarHBondContact CB-O 3.33Å; A148-V225 HydrophobicContact CB-CG2 3.83Å
149N85.1Confident87.1Confident36 Ų3627.2 Ų27.219%0.19315%0.151CC..EExtended strand (participates in β ladder)trans-73.4126.9171.1-75.8-41.5000111.1L62 F151 Q222 P223 V225L62-N149 HydrophobicContact CD1-CB 3.88Å; N149-F151 HydrophobicContact CB-CE2 4.04Å; N149-Q222 PolarHBondContact ND2-OE1 3.48Å; N149-Q222 VanDerWaalsContact ND2-OE1 3.14Å; N149-P223 PolarHBondContact N-O 3.26Å; N149-P223 VanDerWaalsContact N-O 3.08Å; N149-V225 PolarHBondContact O-N 3.18Å
150L88.9Confident86.1Confident14 Ų1430.5 Ų30.57%0.07319%0.185CC..EExtended strand (participates in β ladder)trans-95114.5-179.6178.765.8000110.7R63 V139 V225 W227R63-L150 PolarHBondContact N-O 3.27Å; R63-L150 WeakPolarHBondContact O-CB 3.32Å; V139-L150 HydrophobicContact CG1-CD1 3.93Å; L150-V225 HydrophobicContact CD1-CG1 4.23Å; L150-W227 HydrophobicContact CD1-CB 3.57Å; L150-W227 HydrophobicContact CD1-CG 4.46Å
151F90.1Very high85.6Confident3 Ų330.6 Ų30.61%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-98.3112.2172.3-63.4-89.1000109.9L56 L61 L62 N149 L153 V175 V225 I226 W227L56-F151 HydrophobicContact CD1-CE1 4.01Å; L61-F151 CarbonylContact O-C 3.59Å; L61-F151 VanDerWaalsContact O-CA 3.27Å; L61-F151 WeakPolarHBondContact O-CA 3.28Å; L62-F151 HydrophobicContact CB-CD1 4.21Å; L62-F151 HydrophobicContact CB-CE1 4.11Å; L62-F151 HydrophobicContact CD1-CD1 4.04Å; L62-F151 HydrophobicContact CD1-CD2 4.46Å; L62-F151 HydrophobicContact CD1-CE1 3.77Å; L62-F151 HydrophobicContact CD1-CE2 4.21Å; L62-F151 HydrophobicContact CD1-CG 4.39Å; L62-F151 HydrophobicContact CD1-CZ 3.87Å; L62-F151 HydrophobicContact CD2-CE1 4.18Å; L62-F151 HydrophobicContact CD2-CZ 4.43Å; L62-F151 HydrophobicContact CG-CE1 4.24Å; N149-F151 HydrophobicContact CB-CE2 4.04Å; F151-L153 PolarHBondContact O-N 3Å; F151-V175 HydrophobicContact CB-CG1 4.26Å; F151-V175 HydrophobicContact CD1-CG1 3.9Å; F151-V175 HydrophobicContact CD1-CG2 4.44Å; F151-V175 HydrophobicContact CE1-CG1 4.43Å; F151-V175 HydrophobicContact CG-CG1 4.04Å; F151-V225 PolarHBondContact N-O 3.07Å; F151-I226 HydrophobicContact CB-CG1 4.02Å; F151-W227 PolarHBondContact O-N 3.35Å
152D90.1Very high84.9Confident14 Ų1432.1 Ų32.18%0.07519%0.191CC..EExtended strand (participates in β ladder)trans-92.498.8180-175.23.4000111.2L61 S154 N157 W227L61-D152 PolarHBondContact O-N 3.48Å; D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 3.25Å; D152-S154 PolarHBondContact OD1-OG 3.21Å; D152-N157 PolarHBondContact O-ND2 2.98Å; D152-W227 HydrophobicContact CB-CE3 3.99Å; D152-W227 HydrophobicContact CB-CZ3 4.28Å; D152-W227 VanDerWaalsContact CG-CE3 3.48Å; D152-W227 WeakPolarHBondContact OD1-CZ3 3.48Å; D152-W227 VanDerWaalsContact OD2-CZ3 3.28Å; D152-W227 WeakPolarHBondContact OD2-CZ3 3.4Å
153L88.1Confident84.1Confident1 Ų137.6 Ų37.61%0.00523%0.227CC..  trans-100.930.3174.7-59.6-175.2000111.8L61 F151 L158 V175 I226 W227 I228L61-L153 HydrophobicContact CD2-CD2 4.11Å; F151-L153 PolarHBondContact O-N 3Å; L153-L158 HydrophobicContact CD2-CD2 4.23Å; L153-L158 WeakPolarHBondContact O-CD1 2.98Å; L153-V175 HydrophobicContact CD2-CG2 4.36Å; L153-I226 HydrophobicContact CB-CG2 4.43Å; L153-I226 HydrophobicContact CD1-CG2 3.59Å; L153-I226 HydrophobicContact CG-CG2 4Å; L153-W227 PolarHBondContact N-O 2.82Å; L153-I228 HydrophobicContact CB-CG1 4.09Å
154S87.8Confident83.4Confident8 Ų839.9 Ų39.96%0.05625%0.25CS..  trans-61.4140.2172.7-59.40000110.6D152 E156 N157 L158 G229D152-S154 WeakPolarHBondContact OD1-CB 3.32Å; D152-S154 PolarHBondContact OD1-N 3.25Å; D152-S154 PolarHBondContact OD1-OG 3.21Å; S154-E156 PolarHBondContact O-N 3.29Å; S154-E156 VanDerWaalsContact O-N 3.12Å; S154-N157 WeakPolarHBondContact O-CA 3.36Å; S154-N157 WeakPolarHBondContact O-CB 3.46Å; S154-N157 PolarHBondContact O-N 3.38Å; S154-L158 WeakPolarHBondContact O-CD1 3.32Å; S154-L158 VanDerWaalsContact O-CG 3.27Å; S154-L158 WeakPolarHBondContact O-CG 3.37Å; S154-L158 PolarHBondContact O-N 3.49Å; S154-G229 VanDerWaalsContact OG-CA 3.23Å; S154-G229 WeakPolarHBondContact OG-CA 3.48Å; S154-G229 PolarHBondContact OG-N 3.04Å
155P83.6Confident82.4Confident3 Ų349.4 Ų49.42%0.01928%0.281CS..G310 helixtrans-56-33.2-177.423.3-33.5000112.9N157 L158 G229 K233P155-N157 VanDerWaalsContact C-N 3.34Å; P155-N157 PolarHBondContact O-N 3.08Å; P155-L158 PolarHBondContact O-N 3.18Å; P155-G229 WeakPolarHBondContact CD-O 3.39Å; P155-K233 HydrophobicContact CB-CB 4.44Å; P155-K233 HydrophobicContact CB-CD 4.36Å; P155-K233 HydrophobicContact CG-CB 3.95Å; P155-K233 HydrophobicContact CG-CD 3.56Å; P155-K233 HydrophobicContact CG-CG 4.29Å
156E84.1Confident81.7Confident108 Ų10849.3 Ų49.351%0.50528%0.284SS..G310 helixtrans-64.2-36.7174.6-71.4153.4-145.400112.5S154 L158 N230 K233 M246S154-E156 PolarHBondContact O-N 3.29Å; S154-E156 VanDerWaalsContact O-N 3.12Å; E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 2.68Å; E156-N230 PolarHBondContact OE1-ND2 2.66Å; E156-K233 IonicContact OE1-NZ 2.7Å; E156-K233 PolarHBondContact OE1-NZ 3.2Å; E156-M246 HydrophobicContact CG-SD 4.26Å
157N84.7Confident81.4Confident18 Ų1848.9 Ų48.910%0.09628%0.283CS..G310 helixtrans-78.8-11.3178.8-162.935.8000112.5G60 R63 D152 S154 P155 K161G60-N157 PolarHBondContact O-ND2 3.21Å; R63-N157 PolarHBondContact NH2-OD1 3.22Å; R63-N157 VanDerWaalsContact NH2-OD1 3.1Å; D152-N157 PolarHBondContact O-ND2 2.98Å; S154-N157 WeakPolarHBondContact O-CA 3.36Å; S154-N157 WeakPolarHBondContact O-CB 3.46Å; S154-N157 PolarHBondContact O-N 3.38Å; P155-N157 VanDerWaalsContact C-N 3.34Å; P155-N157 PolarHBondContact O-N 3.08Å; N157-K161 WeakPolarHBondContact O-CD 3.35Å; N157-K161 WeakPolarHBondContact O-CE 3.17Å; N157-K161 PolarHBondContact O-NZ 2.87Å; N157-K161 PolarHBondContact OD1-NZ 2.78Å
158L80.8Confident81Confident17 Ų1746.9 Ų46.99%0.08926%0.262CS..G310 helixtrans-97.3-8.4-175.3-63.2162.8000112.7L61 L153 S154 P155 E156 G160 K161 M171 I251L61-L158 HydrophobicContact CD2-CD2 3.96Å; L153-L158 HydrophobicContact CD2-CD2 4.23Å; L153-L158 WeakPolarHBondContact O-CD1 2.98Å; S154-L158 WeakPolarHBondContact O-CD1 3.32Å; S154-L158 VanDerWaalsContact O-CG 3.27Å; S154-L158 WeakPolarHBondContact O-CG 3.37Å; S154-L158 PolarHBondContact O-N 3.49Å; P155-L158 PolarHBondContact O-N 3.18Å; E156-L158 VanDerWaalsContact C-N 3.25Å; E156-L158 PolarHBondContact O-N 2.68Å; L158-G160 PolarHBondContact O-N 3.13Å; L158-K161 PolarHBondContact O-N 3.16Å; L158-M171 HydrophobicContact CD2-CE 3.62Å; L158-M171 HydrophobicContact CD2-SD 3.29Å; L158-M171 WeakPolarHBondContact CD2-SD 3.44Å; L158-I251 HydrophobicContact CD1-CD1 3.13Å; L158-I251 HydrophobicContact CD1-CG1 4.46Å; L158-I251 HydrophobicContact CD2-CD1 3.86Å; L158-I251 HydrophobicContact CG-CD1 4.08Å
159L78.4Confident80.7Confident92 Ų9249.1 Ų49.148%0.48227%0.272SS..THydrogen-bonded Turntrans-62.5128.3-179.7-166.5127.9000110.7K161 M246L159-K161 PolarHBondContact O-N 3.49Å; L159-M246 HydrophobicContact CD1-CB 4.25Å; L159-M246 HydrophobicContact CD1-CG 3.62Å; L159-M246 HydrophobicContact CD1-SD 4.16Å
160G73.7Confident80.2Confident71 Ų7149.2 Ų49.273%0.73227%0.272SS*.THydrogen-bonded Turntrans71.4-7.7179.600000115.9L158L158-G160 PolarHBondContact O-N 3.13Å
161K80.4Confident79.7Confident48 Ų4848.6 Ų48.621%0.20927%0.268CS..SBendtrans-86.9138.3-179-62-175.6-168.5160.50111.7S59 N157 L158 L159 R250S59-K161 WeakPolarHBondContact O-CE 3.25Å; S59-K161 PolarHBondContact O-NZ 2.59Å; N157-K161 WeakPolarHBondContact O-CD 3.35Å; N157-K161 WeakPolarHBondContact O-CE 3.17Å; N157-K161 PolarHBondContact O-NZ 2.87Å; N157-K161 PolarHBondContact OD1-NZ 2.78Å; L158-K161 PolarHBondContact O-N 3.16Å; L159-K161 PolarHBondContact O-N 3.49Å; K161-R250 PolarHBondContact O-NH1 2.92Å; K161-R250 VanDerWaalsContact O-NH1 3.12Å
162Y77.3Confident79.4Confident33 Ų3348.8 Ų48.813%0.12927%0.27CS..SBendtrans4864.3-178.5-63.3-86000112.6E55 L61 G167 M171 I174 R250E55-Y162 WeakPolarHBondContact CG-OH 3.46Å; E55-Y162 WeakPolarHBondContact OE1-CE1 3.05Å; E55-Y162 PolarHBondContact OE1-OH 3.48Å; L61-Y162 HydrophobicContact CD1-CE2 3.94Å; Y162-G167 WeakPolarHBondContact O-CA 3.1Å; Y162-M171 HydrophobicContact CD2-CB 4.02Å; Y162-M171 HydrophobicContact CD2-CG 4.23Å; Y162-M171 HydrophobicContact CD2-SD 4.02Å; Y162-M171 HydrophobicContact CE2-CB 4.36Å; Y162-M171 HydrophobicContact CE2-CG 4.35Å; Y162-M171 HydrophobicContact CE2-SD 4.45Å; Y162-M171 HydrophobicContact CG-CB 4.28Å; Y162-I174 HydrophobicContact CE1-CD1 4.24Å; Y162-R250 PolarHBondContact O-NH1 3.29Å; Y162-R250 PolarHBondContact O-NH2 2.97Å
163P75.4Confident78.7Confident117 Ų11750.6 Ų50.676%0.7628%0.277SS*.  trans-59.3149.7-178.125.5-34.1000112.3
164G75.3Confident78.2Confident49 Ų4950.5 Ų50.551%0.50528%0.277SS..SBendtrans112.2165.9175.500000115.8N166 G167 R250G164-N166 VanDerWaalsContact C-N 3.29Å; G164-N166 PolarHBondContact O-N 2.75Å; G164-G167 PolarHBondContact O-N 3.09Å; G164-R250 PolarHBondContact O-NH2 3.29Å
165R68.2Low77.8Confident244 Ų24450.1 Ų50.192%0.92128%0.275SS*.THydrogen-bonded Turntrans-65.3-30.5-173.3-157.1176.3-169.4173.83.8113.3
166N74Confident77.4Confident91 Ų9151.1 Ų51.149%0.48728%0.278SS..THydrogen-bonded Turntrans-99.6-6.2178.8-63.6-1.7000113.1L43 G164 A168 Q169 M170L43-N166 HydrophobicContact CD1-CB 4.45Å; G164-N166 VanDerWaalsContact C-N 3.29Å; G164-N166 PolarHBondContact O-N 2.75Å; N166-A168 PolarHBondContact O-N 3.03Å; N166-Q169 PolarHBondContact O-N 3.14Å; N166-M170 WeakPolarHBondContact O-CB 3.43Å; N166-M170 PolarHBondContact O-N 2.97Å
167G77.6Confident76.8Confident9 Ų947.8 Ų47.89%0.09326%0.262CS..Hα-helixtrans-65.4-37.1-17500000113.2Y162 G164 M170 M171Y162-G167 WeakPolarHBondContact O-CA 3.1Å; G164-G167 PolarHBondContact O-N 3.09Å; G167-M170 PolarHBondContact O-N 3.42Å; G167-M171 WeakPolarHBondContact O-CB 3.3Å; G167-M171 PolarHBondContact O-N 2.96Å
168A74.6Confident76Confident2 Ų248 Ų482%0.01726%0.264CS..Hα-helixtrans-68.4-39.7174.900000112.8N166 M170 M171 V172 R250 I251N166-A168 PolarHBondContact O-N 3.03Å; A168-M170 VanDerWaalsContact C-N 3.34Å; A168-M171 HydrophobicContact CB-CE 4.44Å; A168-M171 PolarHBondContact O-N 2.93Å; A168-V172 WeakPolarHBondContact O-CB 3.5Å; A168-V172 VanDerWaalsContact O-CG2 3.31Å; A168-V172 WeakPolarHBondContact O-CG2 3.42Å; A168-V172 PolarHBondContact O-N 2.58Å; A168-R250 HydrophobicContact CB-CG 3.47Å; A168-R250 VanDerWaalsContact CB-CG 3.47Å; A168-I251 HydrophobicContact CB-CG1 4.39Å
169Q75.5Confident74.8Confident53 Ų5347.4 Ų47.425%0.24826%0.261CS..Hα-helixtrans-63.5-43.1174.1-175.2175.45.200110.7E40 N166 H173 D254E40-Q169 PolarHBondContact OE1-NE2 2.78Å; N166-Q169 PolarHBondContact O-N 3.14Å; Q169-H173 WeakPolarHBondContact O-CB 3.43Å; Q169-H173 PolarHBondContact O-N 2.96Å; Q169-D254 PolarHBondContact N-OD2 2.94Å
170M75.6Confident73.6Confident39 Ų3944.1 Ų44.119%0.19225%0.245CC..Hα-helixtrans-62.1-48.2176.7-173.6176-178.600111.1T44 N166 G167 A168 H173 I174T44-M170 HydrophobicContact CG2-CE 4.03Å; T44-M170 HydrophobicContact CG2-CG 4.06Å; N166-M170 WeakPolarHBondContact O-CB 3.43Å; N166-M170 PolarHBondContact O-N 2.97Å; G167-M170 PolarHBondContact O-N 3.42Å; A168-M170 VanDerWaalsContact C-N 3.34Å; M170-H173 CarbonylContact O-C 3.57Å; M170-H173 PolarHBondContact O-N 3.08Å; M170-I174 HydrophobicContact CE-CD1 4.17Å; M170-I174 HydrophobicContact CG-CD1 3.81Å; M170-I174 HydrophobicContact CG-CG1 4.37Å; M170-I174 WeakPolarHBondContact O-CB 3.31Å; M170-I174 WeakPolarHBondContact O-CG1 3.09Å; M170-I174 PolarHBondContact O-N 3.13Å
171M79.4Confident72.5Confident1 Ų141.6 Ų41.61%0.00522%0.216CC..Hα-helixtrans-59.8-48.5177.3171.8176.741.300112.6L61 L158 Y162 G167 A168 H173 I174 V175 I251L61-M171 HydrophobicContact CD1-CG 3.93Å; L61-M171 HydrophobicContact CD1-SD 3.77Å; L61-M171 HydrophobicContact CD2-SD 4.31Å; L158-M171 HydrophobicContact CD2-CE 3.62Å; L158-M171 HydrophobicContact CD2-SD 3.29Å; L158-M171 WeakPolarHBondContact CD2-SD 3.44Å; Y162-M171 HydrophobicContact CD2-CB 4.02Å; Y162-M171 HydrophobicContact CD2-CG 4.23Å; Y162-M171 HydrophobicContact CD2-SD 4.02Å; Y162-M171 HydrophobicContact CE2-CB 4.36Å; Y162-M171 HydrophobicContact CE2-CG 4.35Å; Y162-M171 HydrophobicContact CE2-SD 4.45Å; Y162-M171 HydrophobicContact CG-CB 4.28Å; G167-M171 WeakPolarHBondContact O-CB 3.3Å; G167-M171 PolarHBondContact O-N 2.96Å; A168-M171 HydrophobicContact CB-CE 4.44Å; A168-M171 PolarHBondContact O-N 2.93Å; M171-H173 VanDerWaalsContact C-N 3.28Å; M171-H173 PolarHBondContact O-N 3.3Å; M171-I174 PolarHBondContact O-N 2.76Å; M171-V175 WeakPolarHBondContact O-CB 3.29Å; M171-V175 VanDerWaalsContact O-CG2 3.3Å; M171-V175 WeakPolarHBondContact O-CG2 3.34Å; M171-V175 PolarHBondContact O-N 3.26Å; M171-I251 HydrophobicContact CE-CD1 4.04Å
172V81.8Confident70.6Confident6 Ų643.8 Ų43.84%0.03623%0.227CC..Hα-helixtrans-60.9-43.2176.3172.60000109.7A168 I174 V175 F176 I251 D254 A258A168-V172 WeakPolarHBondContact O-CB 3.5Å; A168-V172 VanDerWaalsContact O-CG2 3.31Å; A168-V172 WeakPolarHBondContact O-CG2 3.42Å; A168-V172 PolarHBondContact O-N 2.58Å; V172-I174 PolarHBondContact O-N 3.35Å; V172-V175 PolarHBondContact O-N 3.28Å; V172-F176 HydrophobicContact CG1-CD2 3.76Å; V172-F176 HydrophobicContact CG1-CE2 3.83Å; V172-F176 WeakPolarHBondContact O-CB 3.46Å; V172-F176 WeakPolarHBondContact O-CD2 3.47Å; V172-F176 PolarHBondContact O-N 3.48Å; V172-I251 HydrophobicContact CG2-CG2 4.16Å; V172-D254 HydrophobicContact CB-CB 4.3Å; V172-D254 HydrophobicContact CG1-CB 4.36Å; V172-D254 HydrophobicContact CG2-CB 4.17Å; V172-A258 HydrophobicContact CG1-CB 3.76Å
173H75.8Confident68.9Low52 Ų5248 Ų4824%0.24125%0.251CS..Hα-helixtrans-63.8-40.8177.7-176.773.4000112.5D42 T44 Q169 M170 M171 F176 K177D42-H173 IonicContact OD1-CE1 3.96Å; D42-H173 PolarHBondContact OD1-CE1 3Å; D42-H173 IonicContact OD1-ND1 3.91Å; D42-H173 IonicContact OD1-NE2 3.86Å; D42-H173 IonicContact OD2-CE1 3.51Å; T44-H173 PolarHBondContact OG1-CD2 3.19Å; T44-H173 PolarHBondContact OG1-NE2 3.21Å; Q169-H173 WeakPolarHBondContact O-CB 3.43Å; Q169-H173 PolarHBondContact O-N 2.96Å; M170-H173 CarbonylContact O-C 3.57Å; M170-H173 PolarHBondContact O-N 3.08Å; M171-H173 VanDerWaalsContact C-N 3.28Å; M171-H173 PolarHBondContact O-N 3.3Å; H173-F176 PolarHBondContact O-N 3.38Å; H173-K177 WeakPolarHBondContact O-CB 3.45Å; H173-K177 PolarHBondContact O-N 3.33Å
174I77.9Confident67.2Low0 Ų044.5 Ų44.50%023%0.226CC..Hα-helixtrans-61.8-50174.7-68.5165.9000110.4T44 L52 L56 Y162 M170 M171 V172 F176 K177 V178T44-I174 HydrophobicContact CG2-CD1 4.22Å; T44-I174 HydrophobicContact CG2-CG1 3.69Å; L52-I174 HydrophobicContact CB-CG2 4.09Å; L52-I174 HydrophobicContact CD2-CD1 4.03Å; L52-I174 HydrophobicContact CD2-CG1 3.95Å; L52-I174 HydrophobicContact CD2-CG2 4.07Å; L52-I174 HydrophobicContact CG-CG2 4.47Å; L56-I174 HydrophobicContact CD1-CG2 3.92Å; L56-I174 HydrophobicContact CD2-CG2 4.02Å; L56-I174 HydrophobicContact CG-CG2 3.96Å; Y162-I174 HydrophobicContact CE1-CD1 4.24Å; M170-I174 HydrophobicContact CE-CD1 4.17Å; M170-I174 HydrophobicContact CG-CD1 3.81Å; M170-I174 HydrophobicContact CG-CG1 4.37Å; M170-I174 WeakPolarHBondContact O-CB 3.31Å; M170-I174 WeakPolarHBondContact O-CG1 3.09Å; M170-I174 PolarHBondContact O-N 3.13Å; M171-I174 PolarHBondContact O-N 2.76Å; V172-I174 PolarHBondContact O-N 3.35Å; I174-F176 VanDerWaalsContact C-N 3.32Å; I174-F176 PolarHBondContact O-N 2.68Å; I174-K177 PolarHBondContact O-N 3.03Å; I174-K177 VanDerWaalsContact O-N 3.15Å; I174-V178 HydrophobicContact CG2-CG2 4.13Å; I174-V178 WeakPolarHBondContact O-CB 3.5Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.46Å; I174-V178 PolarHBondContact O-N 3.2Å
175V78.9Confident65.4Low0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-61.8-39.9-178.7170.60000111.6L56 F151 L153 M171 V172 R179 I226L56-V175 HydrophobicContact CD1-CG2 4.43Å; L56-V175 HydrophobicContact CD2-CG2 3.83Å; F151-V175 HydrophobicContact CB-CG1 4.26Å; F151-V175 HydrophobicContact CD1-CG1 3.9Å; F151-V175 HydrophobicContact CD1-CG2 4.44Å; F151-V175 HydrophobicContact CE1-CG1 4.43Å; F151-V175 HydrophobicContact CG-CG1 4.04Å; L153-V175 HydrophobicContact CD2-CG2 4.36Å; M171-V175 WeakPolarHBondContact O-CB 3.29Å; M171-V175 VanDerWaalsContact O-CG2 3.3Å; M171-V175 WeakPolarHBondContact O-CG2 3.34Å; M171-V175 PolarHBondContact O-N 3.26Å; V172-V175 PolarHBondContact O-N 3.28Å; V175-R179 WeakPolarHBondContact O-CB 3.32Å; V175-I226 HydrophobicContact CG1-CD1 4.31Å; V175-I226 HydrophobicContact CG1-CG1 4.06Å
176F75.6Confident63.8Low23 Ų2340.8 Ų40.810%0.10121%0.211CC..Hα-helixtrans-76.7-29.6176.8-80.5-104.5000112.4V172 H173 I174 S180 I226 L255 A258 L262V172-F176 HydrophobicContact CG1-CD2 3.76Å; V172-F176 HydrophobicContact CG1-CE2 3.83Å; V172-F176 WeakPolarHBondContact O-CB 3.46Å; V172-F176 WeakPolarHBondContact O-CD2 3.47Å; V172-F176 PolarHBondContact O-N 3.48Å; H173-F176 PolarHBondContact O-N 3.38Å; I174-F176 VanDerWaalsContact C-N 3.32Å; I174-F176 PolarHBondContact O-N 2.68Å; F176-S180 PolarHBondContact O-N 2.96Å; F176-I226 HydrophobicContact CD2-CD1 4.44Å; F176-I226 HydrophobicContact CE1-CD1 4.34Å; F176-I226 HydrophobicContact CE2-CD1 3.86Å; F176-I226 HydrophobicContact CZ-CD1 3.81Å; F176-L255 HydrophobicContact CE2-CD1 4.41Å; F176-L255 HydrophobicContact CZ-CD1 4.32Å; F176-A258 HydrophobicContact CD1-CB 3.91Å; F176-A258 HydrophobicContact CD2-CB 3.94Å; F176-A258 HydrophobicContact CE1-CB 3.66Å; F176-A258 HydrophobicContact CE2-CB 3.68Å; F176-A258 HydrophobicContact CG-CB 4.03Å; F176-A258 HydrophobicContact CZ-CB 3.54Å; F176-L262 HydrophobicContact CD1-CD2 3.91Å; F176-L262 HydrophobicContact CD1-CG 4.46Å; F176-L262 HydrophobicContact CE1-CD1 4.08Å; F176-L262 HydrophobicContact CE1-CD2 3.93Å; F176-L262 HydrophobicContact CE1-CG 4.09Å
177K71.8Confident62.2Low39 Ų3939 Ų3917%0.1721%0.208CC..Hα-helixtrans-72.2-46.2176.7-178.6173.3178.4174.70112.8T44 L52 H173 I174 R179T44-K177 PolarHBondContact O-NZ 2.76Å; T44-K177 WeakPolarHBondContact OG1-CD 3.37Å; T44-K177 PolarHBondContact OG1-NZ 3.14Å; L52-K177 HydrophobicContact CD1-CD 4.36Å; H173-K177 WeakPolarHBondContact O-CB 3.45Å; H173-K177 PolarHBondContact O-N 3.33Å; I174-K177 PolarHBondContact O-N 3.03Å; I174-K177 VanDerWaalsContact O-N 3.15Å; K177-R179 PolarHBondContact O-N 2.9Å
178V67.6Low60.3Low21 Ų2143.6 Ų43.613%0.12724%0.235CC..Hα-helixtrans-62.6-22.2176.2172.90000111.4V49 L52 Y53 L56 I174V49-V178 HydrophobicContact CG1-CG2 4.28Å; L52-V178 HydrophobicContact CB-CG2 3.82Å; Y53-V178 HydrophobicContact CD2-CG1 3.76Å; L56-V178 HydrophobicContact CD1-CB 4.15Å; L56-V178 HydrophobicContact CD1-CG1 4.23Å; L56-V178 HydrophobicContact CD1-CG2 3.91Å; I174-V178 HydrophobicContact CG2-CG2 4.13Å; I174-V178 WeakPolarHBondContact O-CB 3.5Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.46Å; I174-V178 PolarHBondContact O-N 3.2Å
179R57Low58.6Low6 Ų650.2 Ų50.22%0.02327%0.269CS..Hα-helixtrans-92.6-24.2-172.4175.5173.6-173.5132.2-12.7115.3V175 K177 P181 S224 V225 I226 V268 M269V175-R179 WeakPolarHBondContact O-CB 3.32Å; K177-R179 PolarHBondContact O-N 2.9Å; R179-P181 WeakPolarHBondContact O-CD 3.35Å; R179-S224 VanDerWaalsContact NE-CB 3.34Å; R179-S224 VanDerWaalsContact NH1-C 3.34Å; R179-S224 PolarHBondContact NH2-O 3Å; R179-V225 VanDerWaalsContact NH1-C 3.29Å; R179-I226 VanDerWaalsContact CZ-CD1 3.49Å; R179-V268 HydrophobicContact CG-CG2 3.49Å; R179-V268 VanDerWaalsContact CG-CG2 3.49Å; R179-V268 VanDerWaalsContact CZ-CG1 3.4Å; R179-V268 VanDerWaalsContact NE-CB 3.27Å; R179-M269 PolarHBondContact NH2-O 3.32Å
180S52.9Low56.5Low22 Ų2256.3 Ų56.315%0.15429%0.29CS..  trans-85.8104.2-179.7-84.90000110.1F176 Q182 L183 D266F176-S180 PolarHBondContact O-N 2.96Å; S180-Q182 PolarHBondContact O-N 2.94Å; S180-L183 PolarHBondContact O-N 2.94Å; S180-D266 PolarHBondContact OG-OD1 3.33Å; S180-D266 VanDerWaalsContact OG-OD1 3.04Å
181P49.3Very low54.5Low18 Ų1859.9 Ų59.912%0.11732%0.316CS..Hα-helixtrans-71.2-22-179.3-9.727.9000111.1R179 L183 L184 A185 L221R179-P181 WeakPolarHBondContact O-CD 3.35Å; P181-L183 VanDerWaalsContact C-N 3.3Å; P181-L183 PolarHBondContact O-N 3.11Å; P181-L184 CarbonylContact O-C 3.55Å; P181-L184 WeakPolarHBondContact O-CB 3.23Å; P181-L184 PolarHBondContact O-N 3.3Å; P181-L184 VanDerWaalsContact O-N 3.16Å; P181-A185 WeakPolarHBondContact O-CB 3.34Å; P181-A185 PolarHBondContact O-N 3.46Å; P181-L221 HydrophobicContact CB-CD2 3.32Å; P181-L221 HydrophobicContact CB-CG 4.18Å; P181-L221 HydrophobicContact CG-CD2 3.84Å
182Q41.2Very low52.5Low95 Ų9565.8 Ų65.844%0.44435%0.352SS..Hα-helixtrans-63.4-34.7-179.8-68.5-175.114.700112.4S180 L184 F186 G265S180-Q182 PolarHBondContact O-N 2.94Å; Q182-L184 VanDerWaalsContact C-N 3.32Å; Q182-F186 WeakPolarHBondContact O-CB 3.29Å; Q182-F186 PolarHBondContact O-N 2.94Å; Q182-G265 VanDerWaalsContact NE2-C 3.26Å; Q182-G265 PolarHBondContact NE2-O 3.27Å; Q182-G265 VanDerWaalsContact NE2-O 3.13Å
183L41.2Very low50.1Low121 Ų12169.9 Ų69.963%0.63439%0.386SS*.Hα-helixtrans-71.2-30.8176.9-116149.8000111.8S180 P181 A187S180-L183 PolarHBondContact O-N 2.94Å; P181-L183 VanDerWaalsContact C-N 3.3Å; P181-L183 PolarHBondContact O-N 3.11Å; L183-A187 WeakPolarHBondContact O-CB 3.3Å; L183-A187 PolarHBondContact O-N 2.87Å
184L39.3Very low48.2Very low43 Ų4372.8 Ų72.823%0.22541%0.408CS..Hα-helixtrans-77-42.5174.1-109.8152.6000111.6V49 P181 Q182 F186 A187 V188 L220V49-L184 HydrophobicContact CB-CD1 4.3Å; V49-L184 HydrophobicContact CG1-CD1 3.86Å; V49-L184 HydrophobicContact CG2-CD1 4.19Å; V49-L184 HydrophobicContact CG2-CG 4.34Å; P181-L184 CarbonylContact O-C 3.55Å; P181-L184 WeakPolarHBondContact O-CB 3.23Å; P181-L184 PolarHBondContact O-N 3.3Å; P181-L184 VanDerWaalsContact O-N 3.16Å; Q182-L184 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.06Å; L184-A187 PolarHBondContact O-N 2.93Å; L184-A187 VanDerWaalsContact O-N 3.14Å; L184-V188 HydrophobicContact CD2-CG2 4.31Å; L184-V188 WeakPolarHBondContact O-CB 3.38Å; L184-V188 VanDerWaalsContact O-CG2 3.29Å; L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 3.3Å; L184-L220 HydrophobicContact CD1-CD2 4.23Å
185A37.9Very low46.2Very low45 Ų4582.5 Ų82.537%0.37245%0.45SS..Hα-helixtrans-61.7-41.9174.400000111.6P181 A187 V188 L189P181-A185 WeakPolarHBondContact O-CB 3.34Å; P181-A185 PolarHBondContact O-N 3.46Å; A185-A187 VanDerWaalsContact C-N 3.3Å; A185-A187 PolarHBondContact O-N 3.39Å; A185-V188 PolarHBondContact O-N 3.49Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 3.28Å
186F36Very low44Very low171 Ų17191.1 Ų91.175%0.7549%0.49SS*.Hα-helixtrans-70.6-22.6174.8-120.1-85.7000113.8Q182 L184Q182-F186 WeakPolarHBondContact O-CB 3.29Å; Q182-F186 PolarHBondContact O-N 2.94Å; L184-F186 PolarHBondContact O-N 3.06Å
187A39.4Very low42.2Very low52 Ų5294.4 Ų94.443%0.4353%0.53SS..Hα-helixtrans-83.2-38.2175.200000112L183 L184 A185L183-A187 WeakPolarHBondContact O-CB 3.3Å; L183-A187 PolarHBondContact O-N 2.87Å; L184-A187 PolarHBondContact O-N 2.93Å; L184-A187 VanDerWaalsContact O-N 3.14Å; A185-A187 VanDerWaalsContact C-N 3.3Å; A185-A187 PolarHBondContact O-N 3.39Å
188V38.5Very low40.1Very low107 Ų10796 Ų9665%0.64856%0.558SS**Hα-helixtrans-79.4-32178.4176.60000111.8L184 A185L184-V188 HydrophobicContact CD2-CG2 4.31Å; L184-V188 WeakPolarHBondContact O-CB 3.38Å; L184-V188 VanDerWaalsContact O-CG2 3.29Å; L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 3.3Å; A185-V188 PolarHBondContact O-N 3.49Å
189L38.9Very low38.3Very low140 Ų140104.4 Ų104.473%0.73359%0.593SS**THydrogen-bonded Turntrans-95.121173.7-69.7166000113.3A185 P191A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 3.28Å; L189-P191 WeakPolarHBondContact O-CD 3.24Å
190R30.1Very low36.9Very low182 Ų182112.7 Ų112.769%0.68763%0.632SS**  trans-71.7113.9164.9-129.5-173.5-75.7174.8-1.6106V192R190-V192 PolarHBondContact O-N 2.82Å
191P35Very low36Very low113 Ų113117.7 Ų117.773%0.73466%0.662SS**  trans-59.9119.4165.7-8.625.2000104.6L189 A193L189-P191 WeakPolarHBondContact O-CD 3.24Å; P191-A193 PolarHBondContact O-N 2.62Å
192V35.8Very low35.2Very low125 Ų125122.1 Ų122.176%0.75869%0.689SS**  trans-61.599.4162.6177.40000103.7R190 T194R190-V192 PolarHBondContact O-N 2.82Å; V192-T194 HydrophobicContact CG1-CG2 4.14Å; V192-T194 PolarHBondContact O-N 3.21Å
193A32.4Very low34.8Very low92 Ų92120.7 Ų120.776%0.7669%0.689SS**  trans-67.186171.500000106.4P191 K195P191-A193 PolarHBondContact O-N 2.62Å; A193-K195 PolarHBondContact O-N 3.14Å
194T35.3Very low34.8Very low114 Ų114120.2 Ų120.270%0.69969%0.693SS**  trans-63.9119.6163.4420000106.4V192 E196V192-T194 HydrophobicContact CG1-CG2 4.14Å; V192-T194 PolarHBondContact O-N 3.21Å; T194-E196 PolarHBondContact O-N 2.84Å
195K35.3Very low34.9Very low203 Ų203125.2 Ų125.288%0.88372%0.719SS**SBendtrans-67.393.3164.8-73-179.2176.7179.80106.3A193A193-K195 PolarHBondContact O-N 3.14Å
196E34Very low35Very low182 Ų182126.5 Ų126.585%0.8573%0.725SS**SBendtrans170.6132.3145.6-92.9166-153.300108.5T194T194-E196 PolarHBondContact O-N 2.84Å
197G37.3Very low35.3Very low91 Ų91123.4 Ų123.494%0.93872%0.716SS**  trans-69.6132.2-173.300000112.1
198G27.8Very low35.2Very low74 Ų74127.2 Ų127.276%0.76373%0.728SS**  trans-174.5110.6169.100000109.7
199F30.8Very low35.3Very low196 Ų196124.6 Ų124.686%0.8672%0.723SS**  trans-92.3100.5173.6-173.8-95.2000107.5V201F199-V201 HydrophobicContact CD1-CG2 4.03Å; F199-V201 HydrophobicContact CE1-CG2 3.55Å; F199-V201 HydrophobicContact CZ-CG2 4.43Å
200E25.9Very low35.3Very low180 Ų180124.6 Ų124.684%0.84172%0.721SS**  trans-105.8122170.2-89.7-168.915400110.7T202E200-T202 PolarHBondContact O-N 3.25Å
201V35Very low35.8Very low127 Ų127121 Ų12177%0.7771%0.714SS**  trans-80.496.9174.7-177.50000107.9F199F199-V201 HydrophobicContact CD1-CG2 4.03Å; F199-V201 HydrophobicContact CE1-CG2 3.55Å; F199-V201 HydrophobicContact CZ-CG2 4.43Å
202T32.1Very low36.2Very low111 Ų111119.5 Ų119.568%0.68171%0.706SS**  trans-85.1131.8170.945.20000111.6E200E200-T202 PolarHBondContact O-N 3.25Å
203S32.2Very low36.5Very low66 Ų66115 Ų11546%0.46269%0.685SS.*  trans-50153.9-173.951.60000117.1I205 S206S203-I205 PolarHBondContact O-N 3.09Å; S203-S206 PolarHBondContact O-N 3.18Å
204P42Very low36.9Very low110 Ų110113.3 Ų113.371%0.71467%0.671SS**G310 helixtrans-62.1-12.3-175.3-20.531.5000116.5S206P204-S206 VanDerWaalsContact C-N 3.34Å
205I41.3Very low36.9Very low149 Ų149115 Ų11576%0.76467%0.671SS**G310 helixtrans-77.1-23.2-177-61.5168.4000111.4S203 L207S203-I205 PolarHBondContact O-N 3.09Å; I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 2.86Å
206S39.9Very low37Very low71 Ų71110.6 Ų110.650%0.49766%0.657SS.*G310 helixtrans-78.4-15177.5-45.10000113.7S203 P204S203-S206 PolarHBondContact O-N 3.18Å; P204-S206 VanDerWaalsContact C-N 3.34Å
207L43.7Very low37.2Very low106 Ų106105.1 Ų105.156%0.55564%0.636SS**Hα-helixtrans-77.2-25.2178.2-78.9167.1000112.8I205 G209 M210 I211I205-L207 VanDerWaalsContact C-N 3.33Å; I205-L207 PolarHBondContact O-N 2.86Å; L207-G209 VanDerWaalsContact C-N 3.29Å; L207-G209 PolarHBondContact O-N 3.13Å; L207-M210 HydrophobicContact CD2-SD 4.42Å; L207-M210 PolarHBondContact O-N 3.15Å; L207-M210 VanDerWaalsContact O-N 3.15Å; L207-I211 WeakPolarHBondContact O-CG1 3.46Å; L207-I211 PolarHBondContact O-N 3.22Å
208L37.1Very low37.2Very low133 Ų133103.6 Ų103.670%0.69661%0.614SS**Hα-helixtrans-68.7-28.9179.3-155.371.7000112.2I211L208-I211 HydrophobicContact CD1-CD1 4.35Å
209G39.3Very low37.8Very low52 Ų52108.8 Ų108.854%0.53661%0.611SS.*Hα-helixtrans-69.9-33171.200000113.6L207 S212L207-G209 VanDerWaalsContact C-N 3.29Å; L207-G209 PolarHBondContact O-N 3.13Å; G209-S212 PolarHBondContact O-OG 3.12Å
210M38.6Very low38.4Very low139 Ų139104.1 Ų104.169%0.68559%0.594SS**Hα-helixtrans-74.8-23.7176.8-60.7-165.280.700113L207 S212 G213 A214L207-M210 HydrophobicContact CD2-SD 4.42Å; L207-M210 PolarHBondContact O-N 3.15Å; L207-M210 VanDerWaalsContact O-N 3.15Å; M210-S212 VanDerWaalsContact C-N 3.33Å; M210-G213 WeakPolarHBondContact O-CA 3.16Å; M210-G213 PolarHBondContact O-N 3.38Å; M210-G213 VanDerWaalsContact O-N 3.08Å; M210-A214 PolarHBondContact O-N 3.37Å
211I41.9Very low39.7Very low106 Ų10698.6 Ų98.654%0.54457%0.57SS.*Hα-helixtrans-71.5-27.3177-66.5166.1000111.6L207 L208 G213 A214 E215L207-I211 WeakPolarHBondContact O-CG1 3.46Å; L207-I211 PolarHBondContact O-N 3.22Å; L208-I211 HydrophobicContact CD1-CD1 4.35Å; I211-G213 PolarHBondContact O-N 3.23Å; I211-A214 WeakPolarHBondContact O-CB 3.46Å; I211-A214 PolarHBondContact O-N 2.97Å; I211-A214 VanDerWaalsContact O-N 3.14Å; I211-E215 PolarHBondContact O-N 2.92Å
212S43.2Very low40.8Very low82 Ų8295.9 Ų95.957%0.57355%0.549SS*.Hα-helixtrans-65.3-27.6168.181.50000112.6G209 M210 L216G209-S212 PolarHBondContact O-OG 3.12Å; M210-S212 VanDerWaalsContact C-N 3.33Å; S212-L216 PolarHBondContact O-N 2.98Å
213G41.4Very low43.1Very low30 Ų3091.1 Ų91.131%0.30952%0.52SS..Hα-helixtrans-71.8-32.717200000112.9M210 I211 E215 L216 V217M210-G213 WeakPolarHBondContact O-CA 3.16Å; M210-G213 PolarHBondContact O-N 3.38Å; M210-G213 VanDerWaalsContact O-N 3.08Å; I211-G213 PolarHBondContact O-N 3.23Å; G213-E215 VanDerWaalsContact C-N 3.26Å; G213-E215 PolarHBondContact O-N 3.43Å; G213-L216 WeakPolarHBondContact O-CB 3.27Å; G213-L216 PolarHBondContact O-N 3.36Å; G213-L216 VanDerWaalsContact O-N 3.16Å; G213-V217 WeakPolarHBondContact O-CB 3.42Å; G213-V217 VanDerWaalsContact O-CG2 3.22Å; G213-V217 WeakPolarHBondContact O-CG2 3.36Å; G213-V217 PolarHBondContact O-N 3.45Å
214A40.1Very low45.6Very low58 Ų5888.2 Ų88.248%0.47950%0.5SS..Hα-helixtrans-64.1-32.4175.700000112.1M210 I211 V217 A218M210-A214 PolarHBondContact O-N 3.37Å; I211-A214 WeakPolarHBondContact O-CB 3.46Å; I211-A214 PolarHBondContact O-N 2.97Å; I211-A214 VanDerWaalsContact O-N 3.14Å; A214-V217 PolarHBondContact O-N 3.33Å; A214-A218 WeakPolarHBondContact O-CB 3.47Å; A214-A218 PolarHBondContact O-N 2.79Å
215E35.1Very low47.8Very low148 Ų14883 Ų8369%0.69247%0.466SS*.Hα-helixtrans-73.9-32.9174.2-160.6160.4-169.400112.2I211 G213 A218 R219I211-E215 PolarHBondContact O-N 2.92Å; G213-E215 VanDerWaalsContact C-N 3.26Å; G213-E215 PolarHBondContact O-N 3.43Å; E215-A218 PolarHBondContact O-N 3.24Å; E215-R219 WeakPolarHBondContact O-CG 3.47Å; E215-R219 PolarHBondContact O-N 2.89Å
216L37.5Very low50.2Low111 Ų11176 Ų7658%0.58143%0.43SS*.Hα-helixtrans-69-38.5170-145.892.6000112S212 G213 R219 L220S212-L216 PolarHBondContact O-N 2.98Å; G213-L216 WeakPolarHBondContact O-CB 3.27Å; G213-L216 PolarHBondContact O-N 3.36Å; G213-L216 VanDerWaalsContact O-N 3.16Å; L216-R219 WeakPolarHBondContact O-CB 3.38Å; L216-R219 PolarHBondContact O-N 3.49Å; L216-L220 PolarHBondContact O-N 3.49Å; L216-L220 VanDerWaalsContact O-N 3.09Å
217V39.5Very low52.8Low68 Ų6873.6 Ų73.641%0.41241%0.41SS..Hα-helixtrans-68.4-36.1175171.80000111.1G213 A214 R219 L220 L221G213-V217 WeakPolarHBondContact O-CB 3.42Å; G213-V217 VanDerWaalsContact O-CG2 3.22Å; G213-V217 WeakPolarHBondContact O-CG2 3.36Å; G213-V217 PolarHBondContact O-N 3.45Å; A214-V217 PolarHBondContact O-N 3.33Å; V217-R219 VanDerWaalsContact C-N 3.27Å; V217-R219 PolarHBondContact O-N 2.74Å; V217-L220 WeakPolarHBondContact O-CB 3.31Å; V217-L220 PolarHBondContact O-N 3.01Å; V217-L220 VanDerWaalsContact O-N 3.16Å; V217-L221 HydrophobicContact CG1-CD1 3.92Å; V217-L221 HydrophobicContact CG1-CG 4.5Å; V217-L221 WeakPolarHBondContact O-CB 3.22Å; V217-L221 WeakPolarHBondContact O-CD1 3.24Å; V217-L221 VanDerWaalsContact O-CG 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.3Å; V217-L221 PolarHBondContact O-N 2.69Å
218A36.9Very low55.1Low59 Ų5968.5 Ų68.549%0.48838%0.383SS..Hα-helixtrans-62.4-33.3171.800000112.5A214 E215 L221A214-A218 WeakPolarHBondContact O-CB 3.47Å; A214-A218 PolarHBondContact O-N 2.79Å; E215-A218 PolarHBondContact O-N 3.24Å; A218-L221 PolarHBondContact O-N 2.87Å
219R39.4Very low57.7Low183 Ų18362.4 Ų62.469%0.69135%0.352SS*.Hα-helixtrans-73.4-30.7172.3-69.9177.9124.6170.60.7113.4E215 L216 V217 L221 Q222E215-R219 WeakPolarHBondContact O-CG 3.47Å; E215-R219 PolarHBondContact O-N 2.89Å; L216-R219 WeakPolarHBondContact O-CB 3.38Å; L216-R219 PolarHBondContact O-N 3.49Å; V217-R219 VanDerWaalsContact C-N 3.27Å; V217-R219 PolarHBondContact O-N 2.74Å; R219-L221 VanDerWaalsContact C-N 3.31Å; R219-Q222 WeakPolarHBondContact O-CG 3.4Å
220L45.1Very low60.1Low98 Ų9862.2 Ų62.251%0.51334%0.339SS..Hα-helixtrans-73.1-22.2171.7-85151.6000113.4L184 L216 V217 Q222L184-L220 HydrophobicContact CD1-CD2 4.23Å; L216-L220 PolarHBondContact O-N 3.49Å; L216-L220 VanDerWaalsContact O-N 3.09Å; V217-L220 WeakPolarHBondContact O-CB 3.31Å; V217-L220 PolarHBondContact O-N 3.01Å; V217-L220 VanDerWaalsContact O-N 3.16Å; L220-Q222 VanDerWaalsContact C-N 3.29Å; L220-Q222 PolarHBondContact O-N 2.71Å
221L52.2Low62.4Low63 Ų6355.6 Ų55.633%0.3331%0.307SS..THydrogen-bonded Turntrans-84.95.7-179.7-77.3162.7000113.5P181 V217 A218 R219 R267P181-L221 HydrophobicContact CB-CD2 3.32Å; P181-L221 HydrophobicContact CB-CG 4.18Å; P181-L221 HydrophobicContact CG-CD2 3.84Å; V217-L221 HydrophobicContact CG1-CD1 3.92Å; V217-L221 HydrophobicContact CG1-CG 4.5Å; V217-L221 WeakPolarHBondContact O-CB 3.22Å; V217-L221 WeakPolarHBondContact O-CD1 3.24Å; V217-L221 VanDerWaalsContact O-CG 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.3Å; V217-L221 PolarHBondContact O-N 2.69Å; A218-L221 PolarHBondContact O-N 2.87Å; R219-L221 VanDerWaalsContact C-N 3.31Å; L221-R267 PolarHBondContact O-NH2 3.31Å
222Q59.1Low64.7Low70 Ų7051 Ų5133%0.32728%0.283SS..  trans-52.7132.2-176.1-80.5174.80.700111.4N149 R219 L220N149-Q222 PolarHBondContact ND2-OE1 3.48Å; N149-Q222 VanDerWaalsContact ND2-OE1 3.14Å; R219-Q222 WeakPolarHBondContact O-CG 3.4Å; L220-Q222 VanDerWaalsContact C-N 3.29Å; L220-Q222 PolarHBondContact O-N 2.71Å
223P79.8Confident66.8Low12 Ų1248.4 Ų48.48%0.07826%0.261CS..  trans-54.7149.9171.323.6-30.4000108.6L110 T146 A148 N149 R267L110-P223 HydrophobicContact CB-CB 3.88Å; L110-P223 HydrophobicContact CB-CG 4.35Å; L110-P223 HydrophobicContact CD1-CB 4.35Å; L110-P223 HydrophobicContact CD2-CB 3.86Å; L110-P223 HydrophobicContact CG-CB 4.24Å; T146-P223 WeakPolarHBondContact O-CG 3.33Å; A148-P223 CarbonylContact C-O 3.59Å; A148-P223 WeakPolarHBondContact CA-O 3.12Å; A148-P223 HydrophobicContact CB-CB 4.18Å; A148-P223 HydrophobicContact CB-CG 3.99Å; A148-P223 WeakPolarHBondContact CB-O 3.33Å; N149-P223 PolarHBondContact N-O 3.26Å; N149-P223 VanDerWaalsContact N-O 3.08Å; P223-R267 HydrophobicContact CB-CB 4.31Å
224S84.2Confident68.9Low5 Ų547.1 Ų47.14%0.03525%0.247CC..EExtended strand (participates in β ladder)trans-120.5149.5179.1-68.10000108.6R179 R267 M269R179-S224 VanDerWaalsContact NE-CB 3.34Å; R179-S224 VanDerWaalsContact NH1-C 3.34Å; R179-S224 PolarHBondContact NH2-O 3Å; S224-R267 PolarHBondContact N-O 2.96Å; S224-M269 PolarHBondContact O-N 3.3Å
225V89.6Confident71.1Confident0 Ų044.4 Ų44.40%022%0.224CC..EExtended strand (participates in β ladder)trans-124.6117.7174.81750000107.4L110 V139 V142 A148 N149 L150 F151 R179 M269 I271L110-V225 HydrophobicContact CD1-CG2 3.6Å; V139-V225 HydrophobicContact CG1-CG1 4.4Å; V142-V225 HydrophobicContact CG1-CG2 4.23Å; A148-V225 HydrophobicContact CB-CG2 3.83Å; N149-V225 PolarHBondContact O-N 3.18Å; L150-V225 HydrophobicContact CD1-CG1 4.23Å; F151-V225 PolarHBondContact N-O 3.07Å; R179-V225 VanDerWaalsContact NH1-C 3.29Å; V225-M269 HydrophobicContact CG2-CE 4.44Å; V225-I271 HydrophobicContact CG1-CD1 3.82Å; V225-I271 HydrophobicContact CG1-CG1 4.13Å
226I91.6Very high73.5Confident1 Ų138 Ų381%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-89.4122.4168.5-74135.3000106.1F151 L153 V175 F176 R179 I228 M269 L270 I271F151-I226 HydrophobicContact CB-CG1 4.02Å; L153-I226 HydrophobicContact CB-CG2 4.43Å; L153-I226 HydrophobicContact CD1-CG2 3.59Å; L153-I226 HydrophobicContact CG-CG2 4Å; V175-I226 HydrophobicContact CG1-CD1 4.31Å; V175-I226 HydrophobicContact CG1-CG1 4.06Å; F176-I226 HydrophobicContact CD2-CD1 4.44Å; F176-I226 HydrophobicContact CE1-CD1 4.34Å; F176-I226 HydrophobicContact CE2-CD1 3.86Å; F176-I226 HydrophobicContact CZ-CD1 3.81Å; R179-I226 VanDerWaalsContact CZ-CD1 3.49Å; I226-I228 HydrophobicContact CG2-CG1 4.37Å; I226-M269 PolarHBondContact N-O 2.8Å; I226-L270 HydrophobicContact CB-CD1 3.96Å; I226-L270 HydrophobicContact CG2-CD1 3.48Å; I226-L270 VanDerWaalsContact CG2-CD1 3.48Å; I226-L270 CarbonylContact O-C 3.51Å; I226-L270 WeakPolarHBondContact O-CA 3.3Å; I226-I271 PolarHBondContact O-N 3.05Å
227W94Very high75.7Confident21 Ų2139 Ų398%0.0819%0.194CC..EExtended strand (participates in β ladder)trans-105.9134174173.150.9000110.6K136 V139 L150 F151 D152 L153 I271 T273K136-W227 HydrophobicContact CD-CH2 4.04Å; K136-W227 HydrophobicContact CD-CZ2 4.2Å; K136-W227 HydrophobicContact CG-CH2 4.35Å; K136-W227 HydrophobicContact CG-CZ2 4.16Å; V139-W227 HydrophobicContact CG1-CB 3.93Å; V139-W227 HydrophobicContact CG1-CG 3.86Å; L150-W227 HydrophobicContact CD1-CB 3.57Å; L150-W227 HydrophobicContact CD1-CG 4.46Å; F151-W227 PolarHBondContact O-N 3.35Å; D152-W227 HydrophobicContact CB-CE3 3.99Å; D152-W227 HydrophobicContact CB-CZ3 4.28Å; D152-W227 VanDerWaalsContact CG-CE3 3.48Å; D152-W227 WeakPolarHBondContact OD1-CZ3 3.48Å; D152-W227 VanDerWaalsContact OD2-CZ3 3.28Å; D152-W227 WeakPolarHBondContact OD2-CZ3 3.4Å; L153-W227 PolarHBondContact N-O 2.82Å; W227-I271 CarbonylContact C-O 3.46Å; W227-I271 VanDerWaalsContact CA-O 3.3Å; W227-I271 WeakPolarHBondContact CA-O 3.46Å; W227-T273 PolarHBondContact NE1-OG1 2.78Å; W227-T273 VanDerWaalsContact NE1-OG1 3.14Å
228I92.3Very high77.7Confident0 Ų044.7 Ų44.70%021%0.213CC..EExtended strand (participates in β ladder)trans-119.6103.6170.3-59.9-179.7000108.2L153 I226 A231 N234 L255 L270 I271 G272 T273L153-I228 HydrophobicContact CB-CG1 4.09Å; I226-I228 HydrophobicContact CG2-CG1 4.37Å; I228-A231 HydrophobicContact CG2-CB 4Å; I228-N234 WeakPolarHBondContact CG2-ND2 3.37Å; I228-L255 HydrophobicContact CD1-CD1 4.39Å; I228-L255 HydrophobicContact CD1-CD2 3.44Å; I228-L255 VanDerWaalsContact CD1-CD2 3.44Å; I228-L270 HydrophobicContact CD1-CD1 3.71Å; I228-L270 HydrophobicContact CG1-CD1 3.91Å; I228-I271 PolarHBondContact N-O 3.29Å; I228-G272 WeakPolarHBondContact O-CA 3.28Å; I228-T273 PolarHBondContact O-N 2.97Å
229G90.8Very high79.8Confident4 Ų443.9 Ų43.94%0.04120%0.202CC..THydrogen-bonded Turntrans-66.7148.7167.500000111.4S154 P155 A231 T273S154-G229 VanDerWaalsContact OG-CA 3.23Å; S154-G229 WeakPolarHBondContact OG-CA 3.48Å; S154-G229 PolarHBondContact OG-N 3.04Å; P155-G229 WeakPolarHBondContact CD-O 3.39Å; G229-A231 PolarHBondContact O-N 3.38Å; G229-A231 VanDerWaalsContact O-N 3.13Å; G229-T273 WeakPolarHBondContact CA-OG1 3.32Å
230N89.8Confident81.8Confident49 Ų4937.2 Ų37.226%0.26218%0.183SC..THydrogen-bonded Turntrans45.647.9178.3-63.6-31.1000112.8E156 E232 K233 T273E156-N230 PolarHBondContact OE1-ND2 2.66Å; N230-E232 VanDerWaalsContact CA-OE2 3.31Å; N230-E232 WeakPolarHBondContact CA-OE2 3.4Å; N230-E232 PolarHBondContact O-N 3.09Å; N230-K233 HydrophobicContact CB-CD 3.79Å; N230-K233 HydrophobicContact CB-CG 4.17Å; N230-K233 WeakPolarHBondContact O-CB 3.21Å; N230-K233 PolarHBondContact O-N 3.29Å; N230-T273 WeakPolarHBondContact CA-O 3.49Å; N230-T273 PolarHBondContact N-O 2.6Å; N230-T273 VanDerWaalsContact N-O 3.08Å
231A88.1Confident83.3Confident0 Ų041 Ų410%020%0.195CC..THydrogen-bonded Turntrans-56.3-23.5-170.800000113.4L126 I228 G229 K233 N234 F235 T273 Y289L126-A231 HydrophobicContact CD1-CB 4.15Å; I228-A231 HydrophobicContact CG2-CB 4Å; G229-A231 PolarHBondContact O-N 3.38Å; G229-A231 VanDerWaalsContact O-N 3.13Å; A231-K233 PolarHBondContact O-N 2.94Å; A231-N234 PolarHBondContact O-N 3.22Å; A231-F235 WeakPolarHBondContact O-CD2 3.37Å; A231-T273 PolarHBondContact N-O 2.91Å; A231-Y289 HydrophobicContact CB-CE2 4.27Å
232E88.4Confident84.3Confident8 Ų845.2 Ų45.24%0.03721%0.213CC..THydrogen-bonded Turntrans-56.3-34.5173.761.6-91.2-129.200113.5N230 N234 F235 Y236 T274 S275 R276 A280N230-E232 VanDerWaalsContact CA-OE2 3.31Å; N230-E232 WeakPolarHBondContact CA-OE2 3.4Å; N230-E232 PolarHBondContact O-N 3.09Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 3.21Å; E232-F235 CarbonylContact O-C 3.57Å; E232-F235 PolarHBondContact O-N 3.13Å; E232-Y236 HydrophobicContact CG-CE1 4.38Å; E232-Y236 PolarHBondContact O-N 2.95Å; E232-T274 PolarHBondContact OE1-OG1 3.5Å; E232-T274 VanDerWaalsContact OE2-CA 3.29Å; E232-T274 WeakPolarHBondContact OE2-CA 3.34Å; E232-T274 WeakPolarHBondContact OE2-CB 3.43Å; E232-T274 PolarHBondContact OE2-OG1 3.26Å; E232-S275 PolarHBondContact OE1-N 3.43Å; E232-S275 PolarHBondContact OE1-OG 2.85Å; E232-R276 WeakPolarHBondContact CB-O 3.43Å; E232-R276 PolarHBondContact OE1-N 3.38Å; E232-A280 HydrophobicContact CB-CB 3.99Å
233K87.5Confident85.1Confident28 Ų2843.1 Ų43.112%0.12220%0.204CC..G310 helixtrans-56.6-45.3-179.1-72179.3175.7-173.80110.1P155 E156 N230 A231 F235 Y236 M246 P248P155-K233 HydrophobicContact CB-CB 4.44Å; P155-K233 HydrophobicContact CB-CD 4.36Å; P155-K233 HydrophobicContact CG-CB 3.95Å; P155-K233 HydrophobicContact CG-CD 3.56Å; P155-K233 HydrophobicContact CG-CG 4.29Å; E156-K233 IonicContact OE1-NZ 2.7Å; E156-K233 PolarHBondContact OE1-NZ 3.2Å; N230-K233 HydrophobicContact CB-CD 3.79Å; N230-K233 HydrophobicContact CB-CG 4.17Å; N230-K233 WeakPolarHBondContact O-CB 3.21Å; N230-K233 PolarHBondContact O-N 3.29Å; A231-K233 PolarHBondContact O-N 2.94Å; K233-F235 PolarHBondContact O-N 3.16Å; K233-Y236 HydrophobicContact CB-CD2 4.48Å; K233-Y236 HydrophobicContact CB-CE2 3.94Å; K233-Y236 HydrophobicContact CG-CE1 4.46Å; K233-Y236 HydrophobicContact CG-CE2 3.76Å; K233-Y236 VanDerWaalsContact CG-OH 3.29Å; K233-Y236 WeakPolarHBondContact CG-OH 3.47Å; K233-Y236 WeakPolarHBondContact O-CD2 3.46Å; K233-Y236 PolarHBondContact O-N 3.38Å; K233-M246 HydrophobicContact CD-CE 4.17Å; K233-P248 HydrophobicContact CB-CB 4.32Å; K233-P248 WeakPolarHBondContact O-CB 3.33Å
234N85.2Confident84.7Confident3 Ų348.2 Ų48.22%0.01623%0.225CC..G310 helixtrans-62.4-18.1-179.2-64.2-9.7000114I228 A231 E232 P248I228-N234 WeakPolarHBondContact CG2-ND2 3.37Å; A231-N234 PolarHBondContact O-N 3.22Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 3.21Å; N234-P248 WeakPolarHBondContact CA-O 3.38Å; N234-P248 PolarHBondContact OD1-O 3.34Å
235F86.9Confident83.7Confident1 Ų156.1 Ų56.10%0.00426%0.261CS..G310 helixtrans-121.619.9-175.9-60.7-90.7000113A231 E232 K233 K237 K252 A280 E281 G284 L285 V288 Y289A231-F235 WeakPolarHBondContact O-CD2 3.37Å; E232-F235 CarbonylContact O-C 3.57Å; E232-F235 PolarHBondContact O-N 3.13Å; K233-F235 PolarHBondContact O-N 3.16Å; F235-K237 PolarHBondContact O-N 3.19Å; F235-K252 HydrophobicContact CD1-CD 3.63Å; F235-K252 HydrophobicContact CD1-CG 4.01Å; F235-K252 HydrophobicContact CE1-CD 3.79Å; F235-K252 HydrophobicContact CE1-CG 3.62Å; F235-K252 HydrophobicContact CZ-CG 4.28Å; F235-A280 HydrophobicContact CB-CB 3.91Å; F235-A280 CarbonylContact O-C 3.6Å; F235-A280 WeakPolarHBondContact O-CA 3.42Å; F235-E281 WeakPolarHBondContact O-CB 3.45Å; F235-E281 PolarHBondContact O-N 3.44Å; F235-G284 WeakPolarHBondContact CE1-O 3.43Å; F235-L285 HydrophobicContact CD2-CD1 3.54Å; F235-L285 HydrophobicContact CE2-CD1 3.86Å; F235-L285 HydrophobicContact CG-CD1 4.11Å; F235-V288 HydrophobicContact CE1-CG2 3.93Å; F235-V288 HydrophobicContact CZ-CB 4Å; F235-V288 HydrophobicContact CZ-CG1 4.25Å; F235-V288 HydrophobicContact CZ-CG2 3.71Å; F235-Y289 HydrophobicContact CE2-CE2 4.35Å
236Y86.5Confident82.6Confident15 Ų1558 Ų586%0.05927%0.27CS..BIsolated β-bridgetrans-51.5132.8-178.4-79.5-35.8000114E232 K233 T239 P240 D243 P248 K249 L279E232-Y236 HydrophobicContact CG-CE1 4.38Å; E232-Y236 PolarHBondContact O-N 2.95Å; K233-Y236 HydrophobicContact CB-CD2 4.48Å; K233-Y236 HydrophobicContact CB-CE2 3.94Å; K233-Y236 HydrophobicContact CG-CE1 4.46Å; K233-Y236 HydrophobicContact CG-CE2 3.76Å; K233-Y236 VanDerWaalsContact CG-OH 3.29Å; K233-Y236 WeakPolarHBondContact CG-OH 3.47Å; K233-Y236 WeakPolarHBondContact O-CD2 3.46Å; K233-Y236 PolarHBondContact O-N 3.38Å; Y236-T239 HydrophobicContact CD2-CG2 4.44Å; Y236-P240 HydrophobicContact CE2-CG 4.47Å; Y236-D243 HydrophobicContact CE2-CB 4.12Å; Y236-D243 WeakPolarHBondContact CE2-OD2 3.4Å; Y236-D243 PolarHBondContact OH-OD2 3.08Å; Y236-P248 HydrophobicContact CD2-CG 4.16Å; Y236-K249 WeakPolarHBondContact O-CE 3.37Å; Y236-K249 PolarHBondContact O-NZ 3.2Å; Y236-L279 HydrophobicContact CD1-CB 3.83Å; Y236-L279 HydrophobicContact CE1-CB 3.7Å; Y236-L279 HydrophobicContact CE1-CD1 3.94Å; Y236-L279 HydrophobicContact CE1-CG 4.47Å
237K83.3Confident81.5Confident132 Ų13263.3 Ų63.357%0.57430%0.299SS*.SBendtrans-65-55.9171.2-67.3175.6-175.3155.40110.1F235 Q278 L279 A280 E281F235-K237 PolarHBondContact O-N 3.19Å; K237-Q278 PolarHBondContact NZ-O 2.72Å; K237-Q278 VanDerWaalsContact NZ-O 3.16Å; K237-L279 PolarHBondContact N-O 2.87Å; K237-A280 WeakPolarHBondContact CE-O 3.3Å; K237-E281 HydrophobicContact CG-CB 4.44Å
238K81.2Confident80.2Confident186 Ų18662.8 Ų62.881%0.80930%0.298SS*.SBendtrans-122.4126.9172.6-65.1-178.3-179.8-179.70107.4P240K238-P240 WeakPolarHBondContact O-CD 3.37Å
239T81Confident79.5Confident42 Ų4267.7 Ų67.726%0.25832%0.32SS..  trans-79119.7179.6-51.30000109Y236 D243 K244 P248Y236-T239 HydrophobicContact CD2-CG2 4.44Å; T239-D243 HydrophobicContact CG2-CB 4.39Å; T239-K244 HydrophobicContact CG2-CG 3.97Å; T239-P248 HydrophobicContact CG2-CG 3.82Å
240P81.6Confident78.8Confident44 Ų4470.9 Ų70.929%0.28633%0.33SS..  trans-57156.3172.2-22.133.8000111.7Y236 K238 E242 D243 K244Y236-P240 HydrophobicContact CE2-CG 4.47Å; K238-P240 WeakPolarHBondContact O-CD 3.37Å; P240-E242 VanDerWaalsContact C-N 3.31Å; P240-E242 WeakPolarHBondContact CB-OE2 3.17Å; P240-E242 PolarHBondContact O-N 3.44Å; P240-D243 PolarHBondContact O-N 3.38Å; P240-K244 WeakPolarHBondContact O-CG 3.41Å; P240-K244 PolarHBondContact O-N 3.1Å
241K75.8Confident78.3Confident178 Ų17868.9 Ų68.977%0.77432%0.319SS*.SBendtrans-66.8-34.2-176.2-71.5-178-177.8177.20111.8K244K241-K244 PolarHBondContact O-N 3.02Å
242E73.9Confident78Confident150 Ų15071.2 Ų71.270%0.70133%0.33SS*.G310 helixtrans-66.7-38.2178.4-53.883.2-16900111.8P240 K244P240-E242 VanDerWaalsContact C-N 3.31Å; P240-E242 WeakPolarHBondContact CB-OE2 3.17Å; P240-E242 PolarHBondContact O-N 3.44Å; E242-K244 VanDerWaalsContact C-N 3.33Å; E242-K244 PolarHBondContact O-N 3.1Å
243D75.9Confident77.7Confident26 Ų2678.5 Ų78.514%0.13936%0.361CS..G310 helixtrans-870.6-176.6-67.6-46.8000113.7Y236 T239 P240 E245 M246 P248Y236-D243 HydrophobicContact CE2-CB 4.12Å; Y236-D243 WeakPolarHBondContact CE2-OD2 3.4Å; Y236-D243 PolarHBondContact OH-OD2 3.08Å; T239-D243 HydrophobicContact CG2-CB 4.39Å; P240-D243 PolarHBondContact O-N 3.38Å; D243-E245 VanDerWaalsContact C-N 3.31Å; D243-E245 PolarHBondContact O-N 3.23Å; D243-M246 HydrophobicContact CB-CE 4.5Å; D243-M246 PolarHBondContact O-N 3.39Å; D243-M246 WeakPolarHBondContact OD1-CE 3.41Å; D243-P248 WeakPolarHBondContact O-CD 3.28Å
244K71.3Confident77.5Confident120 Ų12078.3 Ų78.352%0.52236%0.362SS..G310 helixtrans-65.6-36.4178.9-82.2179.3-175.2-177.20112.2T239 P240 K241 E242 M246 D247T239-K244 HydrophobicContact CG2-CG 3.97Å; P240-K244 WeakPolarHBondContact O-CG 3.41Å; P240-K244 PolarHBondContact O-N 3.1Å; K241-K244 PolarHBondContact O-N 3.02Å; E242-K244 VanDerWaalsContact C-N 3.33Å; E242-K244 PolarHBondContact O-N 3.1Å; K244-M246 PolarHBondContact O-N 3.49Å; K244-D247 PolarHBondContact O-N 3.21Å
245E64.2Low77.3Confident171 Ų17178.2 Ų78.280%0.79936%0.361SS*.THydrogen-bonded Turntrans-64.4-23.7178.9-164.4170.2-173.400112.2D243 D247D243-E245 VanDerWaalsContact C-N 3.31Å; D243-E245 PolarHBondContact O-N 3.23Å; E245-D247 VanDerWaalsContact C-N 3.35Å; E245-D247 PolarHBondContact O-N 2.96Å
246M64.6Low77.2Confident38 Ų3879.4 Ų79.419%0.18737%0.368CS..THydrogen-bonded Turntrans-84.4-0.3179-56.9-145.6-81.400114.8E156 L159 K233 D243 K244E156-M246 HydrophobicContact CG-SD 4.26Å; L159-M246 HydrophobicContact CD1-CB 4.25Å; L159-M246 HydrophobicContact CD1-CG 3.62Å; L159-M246 HydrophobicContact CD1-SD 4.16Å; K233-M246 HydrophobicContact CD-CE 4.17Å; D243-M246 HydrophobicContact CB-CE 4.5Å; D243-M246 PolarHBondContact O-N 3.39Å; D243-M246 WeakPolarHBondContact OD1-CE 3.41Å; K244-M246 PolarHBondContact O-N 3.49Å
247D68.6Low77Confident114 Ų11483.2 Ų83.261%0.6139%0.385SS*.  trans40.156.9-178.9-86.5-28.5000114.7K244 E245 K249 R250K244-D247 PolarHBondContact O-N 3.21Å; E245-D247 VanDerWaalsContact C-N 3.35Å; E245-D247 PolarHBondContact O-N 2.96Å; D247-K249 VanDerWaalsContact C-N 3.29Å; D247-K249 PolarHBondContact O-N 3.16Å; D247-K249 VanDerWaalsContact O-N 3.09Å; D247-R250 WeakPolarHBondContact O-CB 3.41Å; D247-R250 PolarHBondContact O-N 3.35Å; D247-R250 VanDerWaalsContact O-N 3.17Å
248P68.1Low76.8Confident10 Ų1077.4 Ų77.47%0.06536%0.362CS..G310 helixtrans-68.5-24-161.425.1-35.4000114.1K233 N234 Y236 T239 D243 R250K233-P248 HydrophobicContact CB-CB 4.32Å; K233-P248 WeakPolarHBondContact O-CB 3.33Å; N234-P248 WeakPolarHBondContact CA-O 3.38Å; N234-P248 PolarHBondContact OD1-O 3.34Å; Y236-P248 HydrophobicContact CD2-CG 4.16Å; T239-P248 HydrophobicContact CG2-CG 3.82Å; D243-P248 WeakPolarHBondContact O-CD 3.28Å; P248-R250 PolarHBondContact O-N 3.49Å
249K76.1Confident76.8Confident103 Ų10369.3 Ų69.345%0.44833%0.327SS..G310 helixtrans-79.40-178.7-66.6-177.1-178.7-179.50114Y236 D247 I251Y236-K249 WeakPolarHBondContact O-CE 3.37Å; Y236-K249 PolarHBondContact O-NZ 3.2Å; D247-K249 VanDerWaalsContact C-N 3.29Å; D247-K249 PolarHBondContact O-N 3.16Å; D247-K249 VanDerWaalsContact O-N 3.09Å; K249-I251 PolarHBondContact O-N 3.01Å
250R75.9Confident76.9Confident71 Ų7174.7 Ų74.727%0.26834%0.343SS..G310 helixtrans-61.5-40.1-170.9-175175.2-167.5-147.2-4.4113.8K161 Y162 G164 A168 D247 P248K161-R250 PolarHBondContact O-NH1 2.92Å; K161-R250 VanDerWaalsContact O-NH1 3.12Å; Y162-R250 PolarHBondContact O-NH1 3.29Å; Y162-R250 PolarHBondContact O-NH2 2.97Å; G164-R250 PolarHBondContact O-NH2 3.29Å; A168-R250 HydrophobicContact CB-CG 3.47Å; A168-R250 VanDerWaalsContact CB-CG 3.47Å; D247-R250 WeakPolarHBondContact O-CB 3.41Å; D247-R250 PolarHBondContact O-N 3.35Å; D247-R250 VanDerWaalsContact O-N 3.17Å; P248-R250 PolarHBondContact O-N 3.49Å
251I80Confident76.7Confident6 Ų678.9 Ų78.93%0.03136%0.362CS..THydrogen-bonded Turntrans-93.8-17.6-172.9-68.3178.4000113.7L158 A168 M171 V172 K249 K253 D254 L255L158-I251 HydrophobicContact CD1-CD1 3.13Å; L158-I251 HydrophobicContact CD1-CG1 4.46Å; L158-I251 HydrophobicContact CD2-CD1 3.86Å; L158-I251 HydrophobicContact CG-CD1 4.08Å; A168-I251 HydrophobicContact CB-CG1 4.39Å; M171-I251 HydrophobicContact CE-CD1 4.04Å; V172-I251 HydrophobicContact CG2-CG2 4.16Å; K249-I251 PolarHBondContact O-N 3.01Å; I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 3.21Å; I251-K253 VanDerWaalsContact O-N 3.14Å; I251-D254 PolarHBondContact O-N 3.46Å; I251-L255 HydrophobicContact CG2-CB 3.88Å; I251-L255 VanDerWaalsContact O-CB 3.31Å; I251-L255 WeakPolarHBondContact O-CB 3.49Å; I251-L255 PolarHBondContact O-N 3.15Å
252K82.1Confident76.7Confident49 Ų4971 Ų7121%0.21333%0.329CS..Hα-helixtrans-50.7-46.5-172.9175.1175.3176.9-179.20113.2F235 T256 E281F235-K252 HydrophobicContact CD1-CD 3.63Å; F235-K252 HydrophobicContact CD1-CG 4.01Å; F235-K252 HydrophobicContact CE1-CD 3.79Å; F235-K252 HydrophobicContact CE1-CG 3.62Å; F235-K252 HydrophobicContact CZ-CG 4.28Å; K252-T256 WeakPolarHBondContact O-CB 3.18Å; K252-T256 PolarHBondContact O-N 3.39Å; K252-T256 PolarHBondContact O-OG1 3.45Å; K252-E281 IonicContact NZ-OE2 3.85Å; K252-E281 PolarHBondContact NZ-OE2 3.25Å
253K82.4Confident76.6Confident162 Ų16266.8 Ų66.870%0.70431%0.313SS*.Hα-helixtrans-69.5-47.8-177.1-69-177.1-178.2177.70111.4I251 T256 K257I251-K253 VanDerWaalsContact C-N 3.3Å; I251-K253 PolarHBondContact O-N 3.21Å; I251-K253 VanDerWaalsContact O-N 3.14Å; K253-T256 PolarHBondContact O-N 3.27Å; K253-K257 WeakPolarHBondContact O-CG 3.42Å; K253-K257 PolarHBondContact O-N 2.86Å; K253-K257 VanDerWaalsContact O-N 3.07Å
254D82Confident76.2Confident24 Ų2469.2 Ų69.213%0.12833%0.33CS..Hα-helixtrans-71.9-37.2-174.5-60.2-32.7000111.6Q169 V172 I251 T256 K257 A258Q169-D254 PolarHBondContact N-OD2 2.94Å; V172-D254 HydrophobicContact CB-CB 4.3Å; V172-D254 HydrophobicContact CG1-CB 4.36Å; V172-D254 HydrophobicContact CG2-CB 4.17Å; I251-D254 PolarHBondContact O-N 3.46Å; D254-T256 PolarHBondContact O-N 3.49Å; D254-K257 PolarHBondContact O-N 2.96Å; D254-A258 WeakPolarHBondContact O-CB 3.33Å; D254-A258 PolarHBondContact O-N 3.34Å
255L82.3Confident76Confident1 Ų165.2 Ų65.21%0.00532%0.323CS..Hα-helixtrans-61.6-44172.4-175.168.5000111.9F176 I228 I251 K257 A258 L259 L270 V288F176-L255 HydrophobicContact CE2-CD1 4.41Å; F176-L255 HydrophobicContact CZ-CD1 4.32Å; I228-L255 HydrophobicContact CD1-CD1 4.39Å; I228-L255 HydrophobicContact CD1-CD2 3.44Å; I228-L255 VanDerWaalsContact CD1-CD2 3.44Å; I251-L255 HydrophobicContact CG2-CB 3.88Å; I251-L255 VanDerWaalsContact O-CB 3.31Å; I251-L255 WeakPolarHBondContact O-CB 3.49Å; I251-L255 PolarHBondContact O-N 3.15Å; L255-K257 VanDerWaalsContact C-N 3.27Å; L255-K257 PolarHBondContact O-N 2.96Å; L255-A258 PolarHBondContact O-N 3.33Å; L255-L259 HydrophobicContact CG-CD1 4.37Å; L255-L259 WeakPolarHBondContact O-CG 3.39Å; L255-L259 PolarHBondContact O-N 3.24Å; L255-L270 HydrophobicContact CD1-CD1 4.43Å; L255-L270 HydrophobicContact CD1-CD2 4.17Å; L255-L270 HydrophobicContact CD2-CD2 4.07Å; L255-L270 HydrophobicContact CG-CD2 4.32Å; L255-V288 HydrophobicContact CD2-CG1 3.91Å; L255-V288 HydrophobicContact CG-CG1 4.43Å
256T83.9Confident76.5Confident25 Ų2557.6 Ų57.615%0.15329%0.288CS..Hα-helixtrans-64.9-34.2178.3-530000111.6K252 K253 D254 R260 V288K252-T256 WeakPolarHBondContact O-CB 3.18Å; K252-T256 PolarHBondContact O-N 3.39Å; K252-T256 PolarHBondContact O-OG1 3.45Å; K253-T256 PolarHBondContact O-N 3.27Å; D254-T256 PolarHBondContact O-N 3.49Å; T256-R260 WeakPolarHBondContact O-CG 3.46Å; T256-V288 HydrophobicContact CG2-CG2 4.49Å; T256-V288 WeakPolarHBondContact OG1-CG2 3.31Å
257K82.4Confident77.2Confident96 Ų9658.4 Ų58.442%0.41729%0.289SS..Hα-helixtrans-69.7-49.1174-71.5174.7177.8-177.70111E40 K253 D254 L255 L259 R260 L261E40-K257 IonicContact OE1-NZ 2.95Å; K253-K257 WeakPolarHBondContact O-CG 3.42Å; K253-K257 PolarHBondContact O-N 2.86Å; K253-K257 VanDerWaalsContact O-N 3.07Å; D254-K257 PolarHBondContact O-N 2.96Å; L255-K257 VanDerWaalsContact C-N 3.27Å; L255-K257 PolarHBondContact O-N 2.96Å; K257-L259 VanDerWaalsContact C-N 3.34Å; K257-L259 PolarHBondContact O-N 2.86Å; K257-R260 WeakPolarHBondContact O-CB 3.28Å; K257-R260 PolarHBondContact O-N 3.42Å; K257-R260 VanDerWaalsContact O-N 3.08Å; K257-L261 PolarHBondContact O-N 3.29Å
258A79.9Confident77.9Confident10 Ų1053.4 Ų53.48%0.08326%0.262CS..Hα-helixtrans-59.6-42.3-177.600000112.1V172 F176 D254 L255 R260 L261 L262V172-A258 HydrophobicContact CG1-CB 3.76Å; F176-A258 HydrophobicContact CD1-CB 3.91Å; F176-A258 HydrophobicContact CD2-CB 3.94Å; F176-A258 HydrophobicContact CE1-CB 3.66Å; F176-A258 HydrophobicContact CE2-CB 3.68Å; F176-A258 HydrophobicContact CG-CB 4.03Å; F176-A258 HydrophobicContact CZ-CB 3.54Å; D254-A258 WeakPolarHBondContact O-CB 3.33Å; D254-A258 PolarHBondContact O-N 3.34Å; L255-A258 PolarHBondContact O-N 3.33Å; A258-R260 PolarHBondContact O-N 2.84Å; A258-L261 PolarHBondContact O-N 3.06Å; A258-L262 PolarHBondContact O-N 3.33Å
259L81.9Confident78.9Confident15 Ų1553.1 Ų53.18%0.07926%0.26CS..Hα-helixtrans-62-27.6176.8-70.9173.5000114.1R123 L255 K257 L262 L270 V288R123-L259 VanDerWaalsContact CD-O 3.3Å; R123-L259 WeakPolarHBondContact CD-O 3.43Å; L255-L259 HydrophobicContact CG-CD1 4.37Å; L255-L259 WeakPolarHBondContact O-CG 3.39Å; L255-L259 PolarHBondContact O-N 3.24Å; K257-L259 VanDerWaalsContact C-N 3.34Å; K257-L259 PolarHBondContact O-N 2.86Å; L259-L262 HydrophobicContact CD2-CD1 3.79Å; L259-L270 HydrophobicContact CD1-CD2 3.72Å; L259-L270 HydrophobicContact CD2-CB 4.15Å; L259-L270 HydrophobicContact CD2-CD2 4.09Å; L259-L270 HydrophobicContact CG-CD2 4.38Å; L259-V288 HydrophobicContact CD1-CG1 3.74Å
260R81.2Confident79.6Confident155 Ų15548.3 Ų48.359%0.58524%0.239SC*.Hα-helixtrans-78.8-23176.5-68.3179.1-171.7176.16.2113.1T256 K257 A258 L262T256-R260 WeakPolarHBondContact O-CG 3.46Å; K257-R260 WeakPolarHBondContact O-CB 3.28Å; K257-R260 PolarHBondContact O-N 3.42Å; K257-R260 VanDerWaalsContact O-N 3.08Å; A258-R260 PolarHBondContact O-N 2.84Å; R260-L262 VanDerWaalsContact C-N 3.3Å
261L78.9Confident80.5Confident133 Ų13345.1 Ų45.170%0.69623%0.228SC*.Hα-helixtrans-80.8-14.9177.7-65172.6000111.9K257 A258 T263K257-L261 PolarHBondContact O-N 3.29Å; A258-L261 PolarHBondContact O-N 3.06Å; L261-T263 PolarHBondContact O-N 3.22Å
262L76.1Confident81.2Confident13 Ų1344.9 Ų44.97%0.06823%0.226CC..  trans-67125.3178.4-67.6174.5000111.8F176 A258 L259 R260 D266 V268F176-L262 HydrophobicContact CD1-CD2 3.91Å; F176-L262 HydrophobicContact CD1-CG 4.46Å; F176-L262 HydrophobicContact CE1-CD1 4.08Å; F176-L262 HydrophobicContact CE1-CD2 3.93Å; F176-L262 HydrophobicContact CE1-CG 4.09Å; A258-L262 PolarHBondContact O-N 3.33Å; L259-L262 HydrophobicContact CD2-CD1 3.79Å; R260-L262 VanDerWaalsContact C-N 3.3Å; L262-D266 HydrophobicContact CD2-CB 4.34Å; L262-V268 HydrophobicContact CD1-CG1 3.72Å; L262-V268 HydrophobicContact CD2-CB 4.14Å; L262-V268 HydrophobicContact CD2-CG1 3.64Å; L262-V268 HydrophobicContact CD2-CG2 4.47Å; L262-V268 HydrophobicContact CG-CG1 4.34Å
263T71.5Confident81.9Confident61 Ų6143 Ų4337%0.37422%0.219SC..  trans-89.6157.3175.168.20000110.8L261 G265 D266L261-T263 PolarHBondContact O-N 3.22Å; T263-G265 PolarHBondContact O-N 3.07Å; T263-D266 PolarHBondContact N-OD2 2.99Å; T263-D266 PolarHBondContact O-N 2.99Å; T263-D266 VanDerWaalsContact O-N 3.09Å; T263-D266 PolarHBondContact OG1-OD2 2.72Å
264P65.8Low82.4Confident76 Ų7635.4 Ų35.449%0.49419%0.186SC..THydrogen-bonded Turntrans-63.4-5.6175.7-18.830.4000114.9H116 L121H116-P264 PolarHBondContact CD2-O 3.02Å; H116-P264 PolarHBondContact NE2-O 3.49Å; L121-P264 HydrophobicContact CD2-CB 4.16Å; L121-P264 HydrophobicContact CD2-CG 4.02Å
265G67.9Low82.9Confident36 Ų3635.6 Ų35.637%0.37119%0.189SC..THydrogen-bonded Turntrans-94.8-5.8174.400000113.9Q182 T263Q182-G265 VanDerWaalsContact NE2-C 3.26Å; Q182-G265 PolarHBondContact NE2-O 3.27Å; Q182-G265 VanDerWaalsContact NE2-O 3.13Å; T263-G265 PolarHBondContact O-N 3.07Å
266D74.8Confident83.3Confident11 Ų1142.7 Ų42.76%0.05922%0.216CC..SBendtrans-86.8115.4178.9-66.4-57.7000110H116 S180 L262 T263 V268H116-D266 PolarHBondContact NE2-O 2.85Å; S180-D266 PolarHBondContact OG-OD1 3.33Å; S180-D266 VanDerWaalsContact OG-OD1 3.04Å; L262-D266 HydrophobicContact CD2-CB 4.34Å; T263-D266 PolarHBondContact N-OD2 2.99Å; T263-D266 PolarHBondContact O-N 2.99Å; T263-D266 VanDerWaalsContact O-N 3.09Å; T263-D266 PolarHBondContact OG1-OD2 2.72Å; D266-V268 HydrophobicContact CB-CB 4.32Å; D266-V268 HydrophobicContact CB-CG2 3.91Å; D266-V268 PolarHBondContact O-N 3.45Å
267R79.5Confident83.6Confident55 Ų5541.5 Ų41.521%0.20821%0.209CC..  trans-75.967.8178.4-66.3-163.9-65.2-159.1-2.6112.3L221 P223 S224L221-R267 PolarHBondContact O-NH2 3.31Å; P223-R267 HydrophobicContact CB-CB 4.31Å; S224-R267 PolarHBondContact N-O 2.96Å
268V84.1Confident84Confident9 Ų940.4 Ų40.46%0.05521%0.205CC..EExtended strand (participates in β ladder)trans-134117.6-164.3166.80000110.2R179 L262 D266R179-V268 HydrophobicContact CG-CG2 3.49Å; R179-V268 VanDerWaalsContact CG-CG2 3.49Å; R179-V268 VanDerWaalsContact CZ-CG1 3.4Å; R179-V268 VanDerWaalsContact NE-CB 3.27Å; L262-V268 HydrophobicContact CD1-CG1 3.72Å; L262-V268 HydrophobicContact CD2-CB 4.14Å; L262-V268 HydrophobicContact CD2-CG1 3.64Å; L262-V268 HydrophobicContact CD2-CG2 4.47Å; L262-V268 HydrophobicContact CG-CG1 4.34Å; D266-V268 HydrophobicContact CB-CB 4.32Å; D266-V268 HydrophobicContact CB-CG2 3.91Å; D266-V268 PolarHBondContact O-N 3.45Å
269M88.1Confident84.4Confident4 Ų443.8 Ų43.82%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-122.1140.8170.7-178.117235.500112.7A106 L110 I125 V142 R179 S224 V225 I226 I271A106-M269 VanDerWaalsContact CA-CE 3.43Å; A106-M269 VanDerWaalsContact CA-SD 3.59Å; A106-M269 HydrophobicContact CB-CE 3.43Å; A106-M269 VanDerWaalsContact CB-CE 3.43Å; A106-M269 HydrophobicContact CB-SD 3.61Å; L110-M269 HydrophobicContact CD1-CE 3.24Å; L110-M269 HydrophobicContact CD2-CB 4.35Å; L110-M269 HydrophobicContact CD2-CE 4.33Å; L110-M269 HydrophobicContact CG-CE 3.68Å; I125-M269 HydrophobicContact CD1-SD 3.55Å; I125-M269 VanDerWaalsContact CD1-SD 3.55Å; I125-M269 HydrophobicContact CG1-SD 4.22Å; V142-M269 HydrophobicContact CG1-CE 4Å; R179-M269 PolarHBondContact NH2-O 3.32Å; S224-M269 PolarHBondContact O-N 3.3Å; V225-M269 HydrophobicContact CG2-CE 4.44Å; I226-M269 PolarHBondContact N-O 2.8Å; M269-I271 HydrophobicContact CE-CD1 4.09Å; M269-I271 HydrophobicContact CE-CG1 4.5Å; M269-I271 HydrophobicContact CG-CG1 3.97Å; M269-I271 HydrophobicContact SD-CD1 4.2Å; M269-I271 HydrophobicContact SD-CG1 4.13Å
270L91.9Very high84.7Confident2 Ų243.1 Ų43.11%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-98.8125.2168.7172.867000110R123 S124 I125 I226 I228 L255 L259 V288 Y289R123-L270 PolarHBondContact O-N 2.86Å; S124-L270 CarbonylContact C-O 3.55Å; S124-L270 VanDerWaalsContact CA-O 3.22Å; S124-L270 WeakPolarHBondContact CA-O 3Å; I125-L270 PolarHBondContact N-O 2.92Å; I226-L270 HydrophobicContact CB-CD1 3.96Å; I226-L270 HydrophobicContact CG2-CD1 3.48Å; I226-L270 VanDerWaalsContact CG2-CD1 3.48Å; I226-L270 CarbonylContact O-C 3.51Å; I226-L270 WeakPolarHBondContact O-CA 3.3Å; I228-L270 HydrophobicContact CD1-CD1 3.71Å; I228-L270 HydrophobicContact CG1-CD1 3.91Å; L255-L270 HydrophobicContact CD1-CD1 4.43Å; L255-L270 HydrophobicContact CD1-CD2 4.17Å; L255-L270 HydrophobicContact CD2-CD2 4.07Å; L255-L270 HydrophobicContact CG-CD2 4.32Å; L259-L270 HydrophobicContact CD1-CD2 3.72Å; L259-L270 HydrophobicContact CD2-CB 4.15Å; L259-L270 HydrophobicContact CD2-CD2 4.09Å; L259-L270 HydrophobicContact CG-CD2 4.38Å; L270-V288 HydrophobicContact CD2-CG1 3.92Å; L270-Y289 HydrophobicContact CD2-CE1 3.97Å; L270-Y289 HydrophobicContact CG-CE1 4.02Å
271I94.4Very high85.1Confident5 Ų539.5 Ų39.53%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-119.1118.8174-51.3178.4000109.8I125 L127 V139 V142 V225 I226 W227 I228 M269I125-I271 CarbonylContact O-C 3.54Å; I125-I271 VanDerWaalsContact O-CA 3.31Å; I125-I271 WeakPolarHBondContact O-CA 3.33Å; L127-I271 HydrophobicContact CD1-CG2 4.34Å; L127-I271 HydrophobicContact CG-CG2 4.29Å; V139-I271 HydrophobicContact CG2-CB 4.37Å; V139-I271 HydrophobicContact CG2-CG2 3.73Å; V142-I271 HydrophobicContact CG1-CD1 4.31Å; V225-I271 HydrophobicContact CG1-CD1 3.82Å; V225-I271 HydrophobicContact CG1-CG1 4.13Å; I226-I271 PolarHBondContact O-N 3.05Å; W227-I271 CarbonylContact C-O 3.46Å; W227-I271 VanDerWaalsContact CA-O 3.3Å; W227-I271 WeakPolarHBondContact CA-O 3.46Å; I228-I271 PolarHBondContact N-O 3.29Å; M269-I271 HydrophobicContact CE-CD1 4.09Å; M269-I271 HydrophobicContact CE-CG1 4.5Å; M269-I271 HydrophobicContact CG-CG1 3.97Å; M269-I271 HydrophobicContact SD-CD1 4.2Å; M269-I271 HydrophobicContact SD-CG1 4.13Å
272G95Very high85.5Confident0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-98.7143.6173.100000110.7I125 L126 L127 I228 Y289I125-G272 PolarHBondContact O-N 3.44Å; L126-G272 WeakPolarHBondContact CA-O 3.49Å; L127-G272 PolarHBondContact N-O 3.32Å; I228-G272 WeakPolarHBondContact O-CA 3.28Å; G272-Y289 WeakPolarHBondContact CA-OH 3.49Å
273T95.3Very high85.9Confident11 Ų1144.9 Ų44.97%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-121.1134.5169.255.90000109.5L127 K135 V139 W227 I228 G229 N230 A231L127-T273 HydrophobicContact CB-CG2 4.32Å; L127-T273 HydrophobicContact CD1-CG2 4.28Å; K135-T273 HydrophobicContact CB-CG2 3.93Å; V139-T273 HydrophobicContact CG2-CG2 3.92Å; W227-T273 PolarHBondContact NE1-OG1 2.78Å; W227-T273 VanDerWaalsContact NE1-OG1 3.14Å; I228-T273 PolarHBondContact O-N 2.97Å; G229-T273 WeakPolarHBondContact CA-OG1 3.32Å; N230-T273 WeakPolarHBondContact CA-O 3.49Å; N230-T273 PolarHBondContact N-O 2.6Å; N230-T273 VanDerWaalsContact N-O 3.08Å; A231-T273 PolarHBondContact N-O 2.91Å
274T94.1Very high86.6Confident1 Ų142.4 Ų42.41%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-141.2143.3179.7-177.20000111.6L126 L127 V128 G129 K135 E232 P277L126-T274 HydrophobicContact CD1-CG2 3.88Å; L126-T274 HydrophobicContact CD2-CG2 4.21Å; L126-T274 HydrophobicContact CG-CG2 4.1Å; L127-T274 PolarHBondContact O-N 3.36Å; V128-T274 HydrophobicContact CB-CG2 4.07Å; V128-T274 HydrophobicContact CG1-CG2 4.11Å; V128-T274 HydrophobicContact CG2-CG2 3.6Å; G129-T274 PolarHBondContact N-O 3.4Å; K135-T274 WeakPolarHBondContact CD-O 3.41Å; K135-T274 VanDerWaalsContact CE-O 3.24Å; K135-T274 WeakPolarHBondContact CE-O 3.38Å; K135-T274 PolarHBondContact NZ-O 3.16Å; E232-T274 PolarHBondContact OE1-OG1 3.5Å; E232-T274 VanDerWaalsContact OE2-CA 3.29Å; E232-T274 WeakPolarHBondContact OE2-CA 3.34Å; E232-T274 WeakPolarHBondContact OE2-CB 3.43Å; E232-T274 PolarHBondContact OE2-OG1 3.26Å; T274-P277 HydrophobicContact CG2-CB 4.1Å
275S91.5Very high87.6Confident29 Ų2938.8 Ų38.820%0.20318%0.184CC..SBendtrans-106.6-29.4171.339.10000113.1G129 E232 P277G129-S275 VanDerWaalsContact O-CA 3.32Å; G129-S275 WeakPolarHBondContact O-CA 3.42Å; E232-S275 PolarHBondContact OE1-N 3.43Å; E232-S275 PolarHBondContact OE1-OG 2.85Å; S275-P277 WeakPolarHBondContact O-CD 3.44Å
276R90.6Very high88.6Confident149 Ų14938.6 Ų38.656%0.56218%0.176SC*.  trans-128.968.4-175.7-63.9-177.5-178.6141.3-2.4110.5E232 Q278 L279E232-R276 WeakPolarHBondContact CB-O 3.43Å; E232-R276 PolarHBondContact OE1-N 3.38Å; R276-Q278 PolarHBondContact O-N 2.87Å; R276-Q278 VanDerWaalsContact O-N 3.08Å; R276-L279 HydrophobicContact CB-CD1 4.1Å; R276-L279 HydrophobicContact CB-CG 4.4Å; R276-L279 PolarHBondContact O-N 3.1Å
277P91.6Very high89.2Confident0 Ų046.4 Ų46.40%021%0.205CC..G310 helixtrans-67.3-12.7-177.934.9-41.7000113.2V128 T274 S275 L279 A280 L449 W452V128-P277 HydrophobicContact CG1-CB 4.36Å; V128-P277 HydrophobicContact CG1-CG 3.74Å; T274-P277 HydrophobicContact CG2-CB 4.1Å; S275-P277 WeakPolarHBondContact O-CD 3.44Å; P277-L279 VanDerWaalsContact C-N 3.32Å; P277-L279 PolarHBondContact O-N 3.16Å; P277-A280 WeakPolarHBondContact O-CB 3.39Å; P277-A280 PolarHBondContact O-N 3.47Å; P277-L449 HydrophobicContact CG-CD2 3.6Å; P277-W452 HydrophobicContact CB-CD2 3.77Å; P277-W452 HydrophobicContact CB-CE3 3.96Å; P277-W452 HydrophobicContact CB-CG 4.47Å; P277-W452 HydrophobicContact CB-CH2 3.8Å; P277-W452 HydrophobicContact CB-CZ2 3.57Å; P277-W452 HydrophobicContact CB-CZ3 3.98Å; P277-W452 HydrophobicContact CG-CD2 3.65Å; P277-W452 HydrophobicContact CG-CE3 3.67Å; P277-W452 HydrophobicContact CG-CG 4.13Å; P277-W452 HydrophobicContact CG-CH2 4.38Å; P277-W452 HydrophobicContact CG-CZ2 4.35Å; P277-W452 HydrophobicContact CG-CZ3 4.05Å; P277-W452 PolarHBondContact O-NE1 2.85Å; P277-W452 VanDerWaalsContact O-NE1 3.1Å
278Q89.6Confident89.6Confident74 Ų7443.9 Ų43.935%0.34620%0.196SC..G310 helixtrans-66.6-31.7-179.8-57.4173.232.400113.3K237 R276 A280 S448 W452K237-Q278 PolarHBondContact NZ-O 2.72Å; K237-Q278 VanDerWaalsContact NZ-O 3.16Å; R276-Q278 PolarHBondContact O-N 2.87Å; R276-Q278 VanDerWaalsContact O-N 3.08Å; Q278-A280 PolarHBondContact O-N 2.95Å; Q278-S448 PolarHBondContact NE2-O 3.3Å; Q278-S448 PolarHBondContact NE2-OG 3.19Å; Q278-W452 HydrophobicContact CG-CB 4.19Å; Q278-W452 HydrophobicContact CG-CG 4.37Å
279L89Confident90Very high80 Ų8043.6 Ų43.642%0.41919%0.193SC..G310 helixtrans-71.1-22176.6-60.5177.2000112Y236 K237 R276 P277Y236-L279 HydrophobicContact CD1-CB 3.83Å; Y236-L279 HydrophobicContact CE1-CB 3.7Å; Y236-L279 HydrophobicContact CE1-CD1 3.94Å; Y236-L279 HydrophobicContact CE1-CG 4.47Å; K237-L279 PolarHBondContact N-O 2.87Å; R276-L279 HydrophobicContact CB-CD1 4.1Å; R276-L279 HydrophobicContact CB-CG 4.4Å; R276-L279 PolarHBondContact O-N 3.1Å; P277-L279 VanDerWaalsContact C-N 3.32Å; P277-L279 PolarHBondContact O-N 3.16Å
280A88.4Confident90Very high1 Ų146.9 Ų46.91%0.00821%0.209CC..BIsolated β-bridgetrans-83.7152.1-179.400000113.1E232 F235 K237 P277 Q278 M282 L285E232-A280 HydrophobicContact CB-CB 3.99Å; F235-A280 HydrophobicContact CB-CB 3.91Å; F235-A280 CarbonylContact O-C 3.6Å; F235-A280 WeakPolarHBondContact O-CA 3.42Å; K237-A280 WeakPolarHBondContact CE-O 3.3Å; P277-A280 WeakPolarHBondContact O-CB 3.39Å; P277-A280 PolarHBondContact O-N 3.47Å; Q278-A280 PolarHBondContact O-N 2.95Å; A280-M282 PolarHBondContact O-N 3.16Å; A280-L285 HydrophobicContact CB-CD2 4.42Å
281E89.1Confident89.9Confident80 Ų8050.9 Ų50.937%0.37422%0.224SC..  trans-70.2106.3168.4-171.2-166.6175.800110.3F235 K237 K252 R283 G284 L285F235-E281 WeakPolarHBondContact O-CB 3.45Å; F235-E281 PolarHBondContact O-N 3.44Å; K237-E281 HydrophobicContact CG-CB 4.44Å; K252-E281 IonicContact NZ-OE2 3.85Å; K252-E281 PolarHBondContact NZ-OE2 3.25Å; E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3Å; E281-G284 PolarHBondContact O-N 3.16Å; E281-G284 VanDerWaalsContact O-N 3.1Å; E281-L285 PolarHBondContact O-N 2.83Å
282M86.8Confident89.8Confident43 Ų4351.1 Ų51.121%0.21223%0.225CC..Hα-helixtrans-48.5-48.6-177.2-175.371.883.200113.7A280 G284 L285 C286 W452 K455 T456A280-M282 PolarHBondContact O-N 3.16Å; M282-G284 PolarHBondContact O-N 3.29Å; M282-L285 PolarHBondContact O-N 3.39Å; M282-C286 WeakPolarHBondContact O-CB 2.86Å; M282-C286 PolarHBondContact O-N 3.02Å; M282-C286 PolarHBondContact O-SG 3.41Å; M282-W452 HydrophobicContact CE-CD2 3.82Å; M282-W452 HydrophobicContact CE-CG 3.72Å; M282-W452 HydrophobicContact CE-CZ2 4.04Å; M282-W452 WeakPolarHBondContact CE-O 3.36Å; M282-W452 HydrophobicContact SD-CD2 4.34Å; M282-W452 HydrophobicContact SD-CH2 4.36Å; M282-W452 HydrophobicContact SD-CZ2 3.46Å; M282-W452 WeakPolarHBondContact SD-CZ2 3.47Å; M282-K455 HydrophobicContact CE-CB 4.07Å; M282-T456 HydrophobicContact CE-CG2 4.15Å; M282-T456 HydrophobicContact SD-CG2 3.64Å
283R85.6Confident89.6Confident215 Ų21551.8 Ų51.881%0.81123%0.228SC*.Hα-helixtrans-65.8-39.2-177.4-68.9-174.9-175.6179.21.8112.1E281 R287E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3Å; R283-R287 WeakPolarHBondContact O-CB 3.28Å; R283-R287 PolarHBondContact O-N 3.2Å
284G85.4Confident89.4Confident10 Ų1051.4 Ų51.410%0.10323%0.226CC..Hα-helixtrans-66-4517700000111.6F235 E281 M282 R287 V288F235-G284 WeakPolarHBondContact CE1-O 3.43Å; E281-G284 PolarHBondContact O-N 3.16Å; E281-G284 VanDerWaalsContact O-N 3.1Å; M282-G284 PolarHBondContact O-N 3.29Å; G284-R287 PolarHBondContact O-N 3.13Å; G284-V288 PolarHBondContact O-N 3.07Å
285L87.9Confident89.3Confident0 Ų051.4 Ų51.40%023%0.226CC..Hα-helixtrans-65.3-49-179.2-163.572.6000111.7L126 F235 A280 E281 M282 R287 V288 Y289 W452L126-L285 HydrophobicContact CD2-CD1 4.36Å; L126-L285 HydrophobicContact CD2-CD2 3.54Å; L126-L285 HydrophobicContact CD2-CG 3.87Å; F235-L285 HydrophobicContact CD2-CD1 3.54Å; F235-L285 HydrophobicContact CE2-CD1 3.86Å; F235-L285 HydrophobicContact CG-CD1 4.11Å; A280-L285 HydrophobicContact CB-CD2 4.42Å; E281-L285 PolarHBondContact O-N 2.83Å; M282-L285 PolarHBondContact O-N 3.39Å; L285-R287 PolarHBondContact O-N 3.44Å; L285-V288 PolarHBondContact O-N 3.21Å; L285-V288 VanDerWaalsContact O-N 3.16Å; L285-Y289 HydrophobicContact CD1-CD2 3.74Å; L285-Y289 HydrophobicContact CD1-CE2 3.66Å; L285-Y289 HydrophobicContact CG-CD2 4.01Å; L285-Y289 HydrophobicContact CG-CE2 4.44Å; L285-Y289 WeakPolarHBondContact O-CD2 3.5Å; L285-Y289 PolarHBondContact O-N 3.15Å; L285-W452 HydrophobicContact CD2-CH2 4.04Å; L285-W452 HydrophobicContact CD2-CZ2 3.73Å
286C87.5Confident89Confident31 Ų3150.9 Ų50.921%0.20922%0.222CC..Hα-helixtrans-67.8-17.1178.9-61.90000113.6M282M282-C286 WeakPolarHBondContact O-CB 2.86Å; M282-C286 PolarHBondContact O-N 3.02Å; M282-C286 PolarHBondContact O-SG 3.41Å
287R87.4Confident88.7Confident175 Ų17545.7 Ų45.766%0.6620%0.202SC*.Hα-helixtrans-79.7-30.6174.8-170.3178.8-162.6176.78.4112.1R283 G284 L285R283-R287 WeakPolarHBondContact O-CB 3.28Å; R283-R287 PolarHBondContact O-N 3.2Å; G284-R287 PolarHBondContact O-N 3.13Å; L285-R287 PolarHBondContact O-N 3.44Å
288V88.9Confident88.2Confident3 Ų345.9 Ų45.92%0.01820%0.203CC..Hα-helixtrans-88.5-39.5-179.6171.20000110.8S124 F235 L255 T256 L259 L270 G284 L285S124-V288 VanDerWaalsContact CB-O 3.28Å; S124-V288 WeakPolarHBondContact CB-O 3.48Å; S124-V288 PolarHBondContact OG-O 2.93Å; F235-V288 HydrophobicContact CE1-CG2 3.93Å; F235-V288 HydrophobicContact CZ-CB 4Å; F235-V288 HydrophobicContact CZ-CG1 4.25Å; F235-V288 HydrophobicContact CZ-CG2 3.71Å; L255-V288 HydrophobicContact CD2-CG1 3.91Å; L255-V288 HydrophobicContact CG-CG1 4.43Å; T256-V288 HydrophobicContact CG2-CG2 4.49Å; T256-V288 WeakPolarHBondContact OG1-CG2 3.31Å; L259-V288 HydrophobicContact CD1-CG1 3.74Å; L270-V288 HydrophobicContact CD2-CG1 3.92Å; G284-V288 PolarHBondContact O-N 3.07Å; L285-V288 PolarHBondContact O-N 3.21Å; L285-V288 VanDerWaalsContact O-N 3.16Å
289Y91.4Very high87.6Confident2 Ų247 Ų471%0.00821%0.211CC..  trans-101.1109.9179.9-63.5-76.4000111.1S124 I125 L126 A231 F235 L270 G272 L285S124-Y289 VanDerWaalsContact OG-CA 3.3Å; S124-Y289 WeakPolarHBondContact OG-CA 3.19Å; I125-Y289 WeakPolarHBondContact O-CD1 3.4Å; L126-Y289 HydrophobicContact CB-CD1 3.77Å; L126-Y289 HydrophobicContact CB-CD2 4.21Å; L126-Y289 HydrophobicContact CB-CE1 4.43Å; L126-Y289 HydrophobicContact CB-CG 3.64Å; L126-Y289 HydrophobicContact CD1-CD1 4.38Å; L126-Y289 HydrophobicContact CD1-CD2 4.08Å; L126-Y289 HydrophobicContact CD1-CE1 4.28Å; L126-Y289 HydrophobicContact CD1-CE2 3.97Å; L126-Y289 HydrophobicContact CD1-CG 4.28Å; L126-Y289 HydrophobicContact CD2-CD2 4.24Å; L126-Y289 HydrophobicContact CD2-CG 4.42Å; L126-Y289 HydrophobicContact CG-CD2 4.41Å; L126-Y289 HydrophobicContact CG-CG 4.33Å; A231-Y289 HydrophobicContact CB-CE2 4.27Å; F235-Y289 HydrophobicContact CE2-CE2 4.35Å; L270-Y289 HydrophobicContact CD2-CE1 3.97Å; L270-Y289 HydrophobicContact CG-CE1 4.02Å; G272-Y289 WeakPolarHBondContact CA-OH 3.49Å; L285-Y289 HydrophobicContact CD1-CD2 3.74Å; L285-Y289 HydrophobicContact CD1-CE2 3.66Å; L285-Y289 HydrophobicContact CG-CD2 4.01Å; L285-Y289 HydrophobicContact CG-CE2 4.44Å; L285-Y289 WeakPolarHBondContact O-CD2 3.5Å; L285-Y289 PolarHBondContact O-N 3.15Å
290E88.6Confident87.1Confident73 Ų7347.2 Ų47.234%0.34121%0.208SC..SBendtrans-74-36.9-178.2-68.1173.917600111.7I122 R123 S124I122-E290 WeakPolarHBondContact CA-OE2 3.45Å; R123-E290 PolarHBondContact N-OE2 3.09Å; R123-E290 IonicContact NH1-OE1 2.73Å; R123-E290 PolarHBondContact NH1-OE1 3.45Å; R123-E290 VanDerWaalsContact NH1-OE1 3.13Å; S124-E290 PolarHBondContact O-N 3.08Å; S124-E290 PolarHBondContact OG-N 3.31Å
291R90.3Very high86.4Confident87 Ų8749.2 Ų49.233%0.32822%0.224SC..EExtended strand (participates in β ladder)trans-115.5133.7175.4-65.4-63.4-177.1140.5-3.5110.9Y105 I122 S124 I125 L126Y105-R291 HydrophobicContact CD2-CG 4.31Å; Y105-R291 HydrophobicContact CE2-CG 4.26Å; Y105-R291 PolarHBondContact OH-NH1 3.18Å; I122-R291 HydrophobicContact CD1-CG 4.07Å; I122-R291 HydrophobicContact CG1-CG 4.26Å; I122-R291 HydrophobicContact CG2-CB 4.35Å; I122-R291 HydrophobicContact CG2-CG 3.66Å; S124-R291 PolarHBondContact O-N 3.3Å; S124-R291 VanDerWaalsContact O-N 3.09Å; I125-R291 CarbonylContact C-O 3.59Å; I125-R291 WeakPolarHBondContact CA-O 3.49Å; I125-R291 HydrophobicContact CG1-CB 4.43Å; L126-R291 PolarHBondContact N-O 3.45Å
292I91.6Very high85.8Confident9 Ų946.5 Ų46.55%0.04621%0.214CC..EExtended strand (participates in β ladder)trans-119.2117175.7-57175.4000107.2L126 V128 W452 Y453 T456 L458L126-I292 HydrophobicContact CB-CG1 4.32Å; L126-I292 HydrophobicContact CD2-CG1 4.32Å; L126-I292 HydrophobicContact CD2-CG2 4.36Å; L126-I292 CarbonylContact O-C 3.46Å; L126-I292 WeakPolarHBondContact O-CA 3.46Å; V128-I292 HydrophobicContact CB-CG2 4.49Å; V128-I292 HydrophobicContact CG2-CG2 3.55Å; I292-W452 HydrophobicContact CD1-CH2 4.35Å; I292-W452 HydrophobicContact CG2-CH2 4.49Å; I292-W452 HydrophobicContact CG2-CZ3 4.35Å; I292-Y453 HydrophobicContact CG2-CD2 4.35Å; I292-Y453 HydrophobicContact CG2-CE2 4.28Å; I292-T456 HydrophobicContact CD1-CG2 4.1Å; I292-L458 HydrophobicContact CB-CD1 3.96Å; I292-L458 HydrophobicContact CD1-CD1 4.41Å; I292-L458 HydrophobicContact CG1-CD1 4.01Å
293L91.6Very high85.4Confident14 Ų1444.7 Ų44.77%0.07321%0.205CC..EExtended strand (participates in β ladder)trans-103.2114.6175.8-58.8-178.8000108.4N101 V102 Y105 I125 L126 L127 V128N101-L293 HydrophobicContact CB-CD1 4.18Å; N101-L293 HydrophobicContact CB-CD2 3.91Å; V102-L293 HydrophobicContact CG2-CD1 3.68Å; Y105-L293 HydrophobicContact CD2-CD2 4.48Å; Y105-L293 HydrophobicContact CE2-CD2 4.12Å; I125-L293 HydrophobicContact CG2-CD1 3.85Å; I125-L293 HydrophobicContact CG2-CG 4.05Å; L126-L293 PolarHBondContact O-N 3.31Å; L127-L293 HydrophobicContact CD2-CB 3.91Å; L127-L293 HydrophobicContact CD2-CD1 3.82Å; L127-L293 HydrophobicContact CD2-CG 4.32Å; V128-L293 PolarHBondContact N-O 3.46Å
294F90.9Very high84.7Confident4 Ų437.3 Ų37.32%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-90.1129.2177.8-176.8-90.9000110.6M92 P93 I98 V128 P296 L449 K450 Y453M92-F294 HydrophobicContact CE-CD1 3.26Å; M92-F294 HydrophobicContact CE-CE1 3.09Å; M92-F294 HydrophobicContact CE-CG 4.22Å; M92-F294 HydrophobicContact CE-CZ 3.93Å; P93-F294 HydrophobicContact CG-CB 4.47Å; P93-F294 VanDerWaalsContact CG-O 3.27Å; P93-F294 WeakPolarHBondContact CG-O 3.46Å; I98-F294 WeakPolarHBondContact CD1-O 3.21Å; V128-F294 HydrophobicContact CB-CD2 4.46Å; V128-F294 HydrophobicContact CG1-CD2 4.19Å; V128-F294 CarbonylContact O-C 3.41Å; V128-F294 WeakPolarHBondContact O-CA 3.27Å; F294-P296 HydrophobicContact CD1-CB 4.5Å; F294-P296 HydrophobicContact CE1-CB 4.01Å; F294-P296 WeakPolarHBondContact O-CD 3.4Å; F294-L449 HydrophobicContact CE2-CB 4.03Å; F294-L449 HydrophobicContact CZ-CB 4.31Å; F294-K450 HydrophobicContact CE1-CG 4.5Å; F294-K450 HydrophobicContact CZ-CG 4.07Å; F294-Y453 HydrophobicContact CB-CD1 4.39Å; F294-Y453 HydrophobicContact CB-CD2 3.7Å; F294-Y453 HydrophobicContact CB-CE1 4.38Å; F294-Y453 HydrophobicContact CB-CE2 3.69Å; F294-Y453 HydrophobicContact CB-CG 4.06Å; F294-Y453 HydrophobicContact CD2-CD2 4.13Å; F294-Y453 HydrophobicContact CD2-CG 4.01Å; F294-Y453 HydrophobicContact CG-CD1 4.48Å; F294-Y453 HydrophobicContact CG-CD2 4.2Å; F294-Y453 HydrophobicContact CG-CG 4.12Å
295M90.6Very high83.4Confident0 Ų037.6 Ų37.60%018%0.18CC..  trans-107.5101.5180-51.1177.882.600109Y73 I98 L127 V128 P130 M133 K135 L138Y73-M295 HydrophobicContact CE2-CE 4.09Å; Y73-M295 WeakPolarHBondContact OH-CE 3.39Å; I98-M295 HydrophobicContact CD1-CB 3.94Å; I98-M295 HydrophobicContact CD1-CG 3.73Å; I98-M295 HydrophobicContact CG2-CE 4.29Å; I98-M295 HydrophobicContact CG2-CG 4.31Å; L127-M295 HydrophobicContact CB-SD 4.39Å; V128-M295 PolarHBondContact O-N 3.14Å; P130-M295 WeakPolarHBondContact CD-O 3.35Å; M133-M295 HydrophobicContact CB-CB 4.39Å; M133-M295 HydrophobicContact CB-CE 4.21Å; M133-M295 HydrophobicContact CB-SD 4.35Å; M133-M295 VanDerWaalsContact O-CE 3.3Å; M133-M295 WeakPolarHBondContact O-CE 3.49Å; K135-M295 HydrophobicContact CB-SD 4.44Å; K135-M295 HydrophobicContact CD-SD 4.24Å; K135-M295 HydrophobicContact CG-CE 4.48Å; K135-M295 HydrophobicContact CG-SD 3.36Å; K135-M295 WeakPolarHBondContact CG-SD 3.47Å; L138-M295 HydrophobicContact CD1-CE 3.48Å; L138-M295 VanDerWaalsContact CD1-CE 3.48Å; L138-M295 HydrophobicContact CD1-SD 4.4Å
296P86Confident81.4Confident18 Ų1843.1 Ų43.112%0.11721%0.205CC..PPolyproline II helixtrans-71.6163.7172.531.7-33.1000110.6M92 P93 F294M92-P296 HydrophobicContact CB-CB 4.36Å; M92-P296 HydrophobicContact CB-CG 4.32Å; P93-P296 VanDerWaalsContact O-CD 3.24Å; P93-P296 WeakPolarHBondContact O-CD 3.34Å; P93-P296 WeakPolarHBondContact O-CG 3.27Å; F294-P296 HydrophobicContact CD1-CB 4.5Å; F294-P296 HydrophobicContact CE1-CB 4.01Å; F294-P296 WeakPolarHBondContact O-CD 3.4Å
297R84.9Confident79.1Confident41 Ų4143.5 Ų43.516%0.15521%0.211CC..PPolyproline II helixtrans-65.7144.3169.3-174.117050.695.5-6.8109.3M133 D299 D398 E446M133-R297 HydrophobicContact CE-CB 4.47Å; M133-R297 HydrophobicContact CE-CG 4.39Å; R297-D299 PolarHBondContact O-N 2.74Å; R297-D398 IonicContact CZ-OD1 2.9Å; R297-D398 IonicContact NH1-OD1 2.67Å; R297-D398 PolarHBondContact NH1-OD1 2.97Å; R297-E446 IonicContact CZ-OE2 2.88Å; R297-E446 VanDerWaalsContact CZ-OE2 3.24Å; R297-E446 IonicContact NE-OE2 3.56Å; R297-E446 PolarHBondContact NE-OE2 2.94Å; R297-E446 IonicContact NH2-OE2 3.66Å; R297-E446 PolarHBondContact NH2-OE2 3.05Å
298P80.6Confident76.7Confident3 Ų347.2 Ų47.22%0.01923%0.225CC..PPolyproline II helixtrans-63.8134.8176.527.3-36.5000110.7L95 R303 P402L95-P298 HydrophobicContact CD1-CB 4.35Å; P298-R303 HydrophobicContact CB-CG 4.2Å; P298-R303 HydrophobicContact CG-CG 4.27Å; P298-R303 VanDerWaalsContact O-CZ 3.25Å; P298-R303 PolarHBondContact O-NE 3.37Å; P298-R303 PolarHBondContact O-NH2 3.09Å; P298-P402 HydrophobicContact CG-CG 4.05Å
299D77.8Confident74Confident97 Ų9748.8 Ų48.852%0.51924%0.242SC..PPolyproline II helixtrans-73.3171.9175.5-70.4-31.7000111.1R297 A301 S302 R303R297-D299 PolarHBondContact O-N 2.74Å; D299-A301 PolarHBondContact O-N 2.88Å; D299-S302 PolarHBondContact O-N 2.81Å; D299-R303 PolarHBondContact O-N 2.76Å; D299-R303 PolarHBondContact O-NE 2.95Å
300Y77.8Confident71.3Confident86 Ų8654.2 Ų54.234%0.33728%0.279SS..Hα-helixtrans-54.7-43.1170.3179.2-100.7000111.4S302 R303 Y304 A394 K395Y300-S302 VanDerWaalsContact C-N 3.28Å; Y300-S302 PolarHBondContact O-N 3.3Å; Y300-R303 PolarHBondContact O-N 2.93Å; Y300-R303 VanDerWaalsContact O-N 3.08Å; Y300-Y304 AromaticContact CE1-CD1 3.9Å; Y300-Y304 HydrophobicContact CE1-CD1 3.9Å; Y300-Y304 HydrophobicContact CE1-CG 4.17Å; Y300-Y304 HydrophobicContact CE2-CG 4.49Å; Y300-Y304 AromaticContact CZ-CD1 3.95Å; Y300-Y304 AromaticContact CZ-CG 3.85Å; Y300-Y304 WeakPolarHBondContact O-CB 3.37Å; Y300-Y304 PolarHBondContact O-N 3.37Å; Y300-A394 HydrophobicContact CD2-CB 3.96Å; Y300-A394 HydrophobicContact CE2-CB 3.62Å; Y300-K395 HydrophobicContact CD2-CG 4.04Å; Y300-K395 HydrophobicContact CE2-CB 4.38Å; Y300-K395 HydrophobicContact CE2-CG 3.42Å; Y300-K395 VanDerWaalsContact CE2-CG 3.42Å
301A74.4Confident68.4Low43 Ų4353.1 Ų53.136%0.35529%0.287SS..Hα-helixtrans-60.1-36174.800000112.2D299 R303 G305D299-A301 PolarHBondContact O-N 2.88Å; A301-R303 VanDerWaalsContact C-N 3.33Å; A301-R303 PolarHBondContact O-N 2.75Å; A301-G305 WeakPolarHBondContact O-CA 3.3Å; A301-G305 PolarHBondContact O-N 2.93Å
302S76.1Confident65.8Low22 Ų2257.6 Ų57.615%0.15432%0.318CS..Hα-helixtrans-74.4-22.9176-52.60000114D76 D299 Y300 L372D76-S302 VanDerWaalsContact OD2-CA 3.31Å; D76-S302 WeakPolarHBondContact OD2-CA 3.21Å; D299-S302 PolarHBondContact O-N 2.81Å; Y300-S302 VanDerWaalsContact C-N 3.28Å; Y300-S302 PolarHBondContact O-N 3.3Å; S302-L372 WeakPolarHBondContact O-CB 3.26Å
303R77.9Confident62.9Low6 Ų660.6 Ų60.62%0.02335%0.351CS..Hα-helixtrans-91.2-35.7-179.2-76.1175.8-74-156.35.7113.4P298 D299 Y300 A301 V371 L372 A394 S397 D398P298-R303 HydrophobicContact CB-CG 4.2Å; P298-R303 HydrophobicContact CG-CG 4.27Å; P298-R303 VanDerWaalsContact O-CZ 3.25Å; P298-R303 PolarHBondContact O-NE 3.37Å; P298-R303 PolarHBondContact O-NH2 3.09Å; D299-R303 PolarHBondContact O-N 2.76Å; D299-R303 PolarHBondContact O-NE 2.95Å; Y300-R303 PolarHBondContact O-N 2.93Å; Y300-R303 VanDerWaalsContact O-N 3.08Å; A301-R303 VanDerWaalsContact C-N 3.33Å; A301-R303 PolarHBondContact O-N 2.75Å; R303-V371 WeakPolarHBondContact O-CG1 3.46Å; R303-L372 HydrophobicContact CG-CD2 4.3Å; R303-A394 HydrophobicContact CB-CB 3.93Å; R303-S397 PolarHBondContact NH1-O 3.01Å; R303-D398 IonicContact CZ-OD1 2.81Å; R303-D398 VanDerWaalsContact NH1-CA 3.3Å; R303-D398 IonicContact NH1-OD1 3.82Å; R303-D398 PolarHBondContact NH1-OD1 3.3Å; R303-D398 IonicContact NH2-OD1 2.87Å; R303-D398 PolarHBondContact NH2-OD1 2.89Å
304Y72.1Confident59.9Low60 Ų6064.7 Ų64.724%0.23538%0.38CS..Hα-helixtrans-112.2-36.7-178178.2-104.9000113.4Y300 E306 V371 I390 S391Y300-Y304 AromaticContact CE1-CD1 3.9Å; Y300-Y304 HydrophobicContact CE1-CD1 3.9Å; Y300-Y304 HydrophobicContact CE1-CG 4.17Å; Y300-Y304 HydrophobicContact CE2-CG 4.49Å; Y300-Y304 AromaticContact CZ-CD1 3.95Å; Y300-Y304 AromaticContact CZ-CG 3.85Å; Y300-Y304 WeakPolarHBondContact O-CB 3.37Å; Y300-Y304 PolarHBondContact O-N 3.37Å; Y304-E306 PolarHBondContact O-N 3.08Å; Y304-E306 PolarHBondContact OH-OE2 3.42Å; Y304-V371 WeakPolarHBondContact O-CG1 3.43Å; Y304-V371 WeakPolarHBondContact O-CG2 3.49Å; Y304-I390 HydrophobicContact CD2-CB 4.26Å; Y304-I390 HydrophobicContact CD2-CG2 4.08Å; Y304-I390 HydrophobicContact CE2-CB 4.34Å; Y304-S391 VanDerWaalsContact CE2-CA 3.5Å; Y304-S391 VanDerWaalsContact CE2-CB 3.41Å
305G58.2Low56.9Low15 Ų1568.6 Ų68.616%0.15541%0.413CS..  trans-50.596.8-156.500000112.7A301 A307A301-G305 WeakPolarHBondContact O-CA 3.3Å; A301-G305 PolarHBondContact O-N 2.93Å; G305-A307 VanDerWaalsContact C-N 3.33Å; G305-A307 PolarHBondContact O-N 3.28Å
306E45.9Very low54Low116 Ų11679 Ų7954%0.54245%0.454SS..  trans-61.2106.3151.7-69.6171.8148.700103.9Y304 W308 V371Y304-E306 PolarHBondContact O-N 3.08Å; Y304-E306 PolarHBondContact OH-OE2 3.42Å; E306-W308 PolarHBondContact O-N 3.48Å; E306-V371 HydrophobicContact CG-CG2 4.34Å
307A39.1Very low51.2Low40 Ų4087 Ų8733%0.33149%0.49SS..  trans-57.1133.6153.400000104.4G305 G309 P369G305-A307 VanDerWaalsContact C-N 3.33Å; G305-A307 PolarHBondContact O-N 3.28Å; A307-G309 PolarHBondContact O-N 3.5Å; A307-P369 HydrophobicContact CB-CB 4.09Å; A307-P369 HydrophobicContact CB-CG 3.07Å
308W35.7Very low48.5Very low253 Ų25390.1 Ų90.196%0.95852%0.518SS*.  trans-58.680.5157.9-61.382000105.6E306 C310E306-W308 PolarHBondContact O-N 3.48Å; W308-C310 PolarHBondContact O-N 3.36Å
309G33.8Very low46.1Very low36 Ų3697.6 Ų97.637%0.37156%0.557SS.*  trans-50.9128.7154.500000103.6A307 G311A307-G309 PolarHBondContact O-N 3.5Å; G309-G311 PolarHBondContact O-N 2.84Å
310C33.9Very low44Very low116 Ų11698.4 Ų98.478%0.78457%0.567SS**  trans-48.198.7160.6-163.10000104.9W308 D312W308-C310 PolarHBondContact O-N 3.36Å; C310-D312 PolarHBondContact O-N 3.19Å
311G28.5Very low41.7Very low50 Ų50101.1 Ų101.152%0.51559%0.593SS.*  trans-62.7138.1-179.900000106G309 G313 C314G309-G311 PolarHBondContact O-N 2.84Å; G311-G313 VanDerWaalsContact C-N 3.26Å; G311-G313 PolarHBondContact O-N 2.98Å; G311-C314 PolarHBondContact O-N 2.83Å
312D33.8Very low39.8Very low180 Ų180104.3 Ų104.396%0.96361%0.613SS**THydrogen-bonded Turntrans-47.699.5159.3-66.8-44.9000107.3C310C310-D312 PolarHBondContact O-N 3.19Å
313G31.3Very low37.6Very low73 Ų73114.5 Ų114.575%0.75365%0.648SS**THydrogen-bonded Turntrans129.326.8-172.200000117.6G311 A315G311-G313 VanDerWaalsContact C-N 3.26Å; G311-G313 PolarHBondContact O-N 2.98Å; G313-A315 PolarHBondContact O-N 2.93Å
314C29Very low35.3Very low99 Ų99120.5 Ų120.567%0.66969%0.687SS**  trans-70.175.9158.8-151.50000109.2G311 Y316G311-C314 PolarHBondContact O-N 2.83Å; C314-Y316 PolarHBondContact O-N 2.87Å; C314-Y316 VanDerWaalsContact O-N 3.14Å
315A28.8Very low33.2Very low87 Ų87125 Ų12572%0.71971%0.714SS**  trans-65108.5166.300000107.4G313 Q317G313-A315 PolarHBondContact O-N 2.93Å; A315-Q317 VanDerWaalsContact C-N 3.31Å; A315-Q317 PolarHBondContact O-N 2.81Å
316Y28.7Very low32Very low219 Ų219129.9 Ų129.986%0.85974%0.743SS**  trans-56.294.3164.7-102.5-100.9000108.8C314 S318C314-Y316 PolarHBondContact O-N 2.87Å; C314-Y316 VanDerWaalsContact O-N 3.14Å; Y316-S318 PolarHBondContact O-N 2.86Å
317Q28Very low31.2Very low186 Ų186133.1 Ų133.187%0.86976%0.758SS**  trans-82.796.4150.2-93.9-179.9-13.100107A315 L319A315-Q317 VanDerWaalsContact C-N 3.31Å; A315-Q317 PolarHBondContact O-N 2.81Å; Q317-L319 PolarHBondContact O-N 3.43Å
318S28.4Very low30.5Very low106 Ų106137.3 Ų137.374%0.74178%0.783SS**  trans-51.1116.4167.947.40000111Y316Y316-S318 PolarHBondContact O-N 2.86Å
319L29Very low30.1Very low160 Ų160131 Ų13184%0.83878%0.776SS**  trans-117134.9154.9-85.7165.2000108.9Q317Q317-L319 PolarHBondContact O-N 3.43Å
320P33Very low29.8Very low114 Ų114135.1 Ų135.174%0.7480%0.798SS**  trans-89.1115.7-167.533.8-29.1000109.3
321T30.2Very low29.4Very low142 Ų142138.3 Ų138.387%0.87180%0.801SS**  trans-152.9131.2150.232.20000111.4R323T321-R323 PolarHBondContact O-N 3.47Å
322S34.3Very low29.4Very low111 Ų111142 Ų14278%0.77682%0.816SS**  trans-67108.2-178.950.60000112.3
323R29.4Very low29.1Very low235 Ų235138.5 Ų138.589%0.88781%0.806SS**  trans177.7126139.2-96.9166.8-149.9-144.98109.8T321T321-R323 PolarHBondContact O-N 3.47Å
324P30Very low29.2Very low132 Ų132140.1 Ų140.186%0.85780%0.803SS**PPolyproline II helixtrans-76.7129.2178.429-30.3000111.3
325I29.2Very low29.2Very low155 Ų155141.3 Ų141.380%0.79581%0.81SS**PPolyproline II helixtrans-94.4140168.1-58.7173.5000107.1
326P33.3Very low29.2Very low118 Ų118146.2 Ų146.277%0.76682%0.818SS**PPolyproline II helixtrans-67.5140-170.525.2-33.3000113.5
327H27.4Very low29.2Very low183 Ų183142 Ų14285%0.84782%0.817SS**  trans-43129.5-179.8-76.9-100.3000114.9C329H327-C329 PolarHBondContact O-N 3.25Å
328C24.8Very low29.2Very low128 Ų128136.4 Ų136.487%0.86581%0.81SS**  trans-74.6107.5155-76.20000108.5C330C328-C330 PolarHBondContact O-N 3.1Å
329C27.1Very low29.3Very low121 Ų121139.7 Ų139.782%0.81882%0.818SS**  trans-71.389.1170.6-65.80000110.1H327H327-C329 PolarHBondContact O-N 3.25Å
330C27Very low29.4Very low123 Ų123139.9 Ų139.983%0.83182%0.819SS**  trans-137.459.6162.1-81.20000108.9C328C328-C330 PolarHBondContact O-N 3.1Å
331E25.7Very low29.2Very low182 Ų182144 Ų14485%0.8583%0.828SS**  trans-129.4123.5158.3-76-169162.500108.2
332P29.6Very low29Very low128 Ų128140 Ų14083%0.83182%0.816SS**PPolyproline II helixtrans-73.6117.1153.515.5-2.2000107.4
333S27.8Very low28.8Very low106 Ų106142.4 Ų142.474%0.74182%0.819SS**PPolyproline II helixtrans-57.3131.1172.943.10000110.6
334P32Very low28.7Very low108 Ų108138.6 Ų138.670%0.70182%0.816SS**PPolyproline II helixtrans-66.3142.6171.726.5-30.9000109.7Q336P334-Q336 PolarHBondContact O-N 3.45Å
335P29.3Very low28.6Very low124 Ų124139.7 Ų139.781%0.80581%0.814SS**PPolyproline II helixtrans-66.5126.317627.6-31.4000109.2
336Q28.9Very low28.6Very low189 Ų189141.9 Ų141.988%0.88382%0.818SS**PPolyproline II helixtrans-69.8130.1174.6-67.5-121.9-22.600110P334P334-Q336 PolarHBondContact O-N 3.45Å
337P29.7Very low28.3Very low130 Ų130144.2 Ų144.284%0.84482%0.819SS**PPolyproline II helixtrans-82.3127.6172.530.1-28.9000110.6
338G27.3Very low28.4Very low70 Ų70140.9 Ų140.972%0.72281%0.813SS**  trans138.289.7160.700000115.2
339L31.5Very low28.4Very low174 Ų174139.9 Ų139.991%0.91181%0.808SS**  trans-178.485.2132.5-121.2129.2000110.2
340L30.5Very low28.3Very low165 Ų165137.5 Ų137.586%0.86480%0.803SS**  trans-165.679.4144.3-143.977.9000108.8
341E27.5Very low28.3Very low199 Ų199140.2 Ų140.293%0.9381%0.809SS**  trans-70.4138.1152.6-86.3-167.2152.300108.5
342G27.5Very low28.2Very low59 Ų59135 Ų13561%0.60880%0.804SS**  trans112.881.5163.600000114.4
343L28.8Very low28.5Very low161 Ų161135.6 Ų135.684%0.84381%0.808SS**  176.7132.5114.2-118.469.7000111.3
344L28.7Very low28.4Very low156 Ų156133.8 Ų133.882%0.81781%0.806SS**  trans84.782.8154.4-63.4160.2000118.2
345D26.3Very low28.1Very low155 Ų155139.1 Ų139.183%0.82982%0.818SS**  trans-48.6126.7135.4-123.4-19.9000111.6
346K30Very low27.9Very low200 Ų200136.3 Ų136.387%0.8781%0.812SS**  trans175.6105.5134.5-96.3-179.8-173.7-169.60111
347Q26.7Very low27.6Very low167 Ų167132.7 Ų132.778%0.7881%0.808SS**  trans-65.9152.3151.3-77.1-78.2-36.300109.5
348P29.6Very low27.7Very low113 Ų113133.1 Ų133.173%0.73481%0.808SS**  -142.1140.59131-12.2000116.3
349S24.1Very low27.6Very low108 Ų108135.9 Ų135.976%0.75581%0.806SS**  trans3132140.653.80000120.8
350G25Very low27.4Very low70 Ų70133 Ų13372%0.72281%0.807SS**  trans160.991.6150.300000117.7
351L27.3Very low27.2Very low181 Ų181129.5 Ų129.595%0.94880%0.797SS**  trans66.8117.7142.4-63.4157.7000121.3
352G24.4Very low27.2Very low73 Ų73130.9 Ų130.975%0.75379%0.793SS**  trans-77.5-157.5166.200000113.7
353P36.3Very low27.3Very low140 Ų140133.4 Ų133.491%0.90980%0.799SS**  cis-127.9176.717.440.7-23.9000112.8
354G24.5Very low27.2Very low67 Ų67134.1 Ų134.169%0.69180%0.798SS**  cis-177.21370.700000107.3
355F26Very low27.2Very low220 Ų220131.8 Ų131.897%0.96579%0.79SS**  trans-126.1127.6165.1-109.6-89.8000107.5
356G25.7Very low27.3Very low66 Ų66132.9 Ų132.968%0.6879%0.787SS**  trans-57.5141.9-16900000113.8V358G356-V358 PolarHBondContact O-N 3.4Å
357S22.4Very low27.5Very low113 Ų113130.3 Ų130.379%0.7978%0.778SS**  trans-34120.2159.7-174.40000112.2
358V31.8Very low27.9Very low139 Ų139128 Ų12884%0.84277%0.768SS**  trans-105111.8160.4-157.10000106.2G356 A360G356-V358 PolarHBondContact O-N 3.4Å; V358-A360 PolarHBondContact O-N 3.36Å
359D24.1Very low28.6Very low128 Ų128124.4 Ų124.468%0.68475%0.746SS**  trans-41.2118.3-177.8-80.3-45.7000114.2S361D359-S361 PolarHBondContact O-N 3.05Å; D359-S361 VanDerWaalsContact O-N 3.09Å
360A28Very low29.9Very low114 Ų114120.2 Ų120.294%0.94272%0.717SS**SBendtrans-81.950.117000000111.9V358V358-A360 PolarHBondContact O-N 3.36Å
361S26.1Very low32.3Very low91 Ų91117.3 Ų117.364%0.63669%0.685SS**  trans-136.645179.849.10000112.1D359D359-S361 PolarHBondContact O-N 3.05Å; D359-S361 VanDerWaalsContact O-N 3.09Å
362R27.7Very low34.8Very low227 Ų227108.9 Ų108.986%0.85764%0.641SS**SBendtrans-115.3118.3160.1-69.1-173.1-178-156.50.3108.6H364R362-H364 PolarHBondContact O-N 3.2Å
363P29.6Very low37.7Very low113 Ų113105.4 Ų105.473%0.73461%0.606SS**  trans-59.8134.4173.625.4-31.2000108.1V365P363-V365 PolarHBondContact O-N 3.11Å
364H26.6Very low39.9Very low175 Ų175102.7 Ų102.781%0.8158%0.58SS**  trans-53.9101.8172.3-72.2-78.7000108.7R362 F366R362-H364 PolarHBondContact O-N 3.2Å; H364-F366 VanDerWaalsContact C-N 3.3Å; H364-F366 PolarHBondContact O-N 3.09Å
365V28.2Very low42.6Very low107 Ų107102.7 Ų102.765%0.64856%0.559SS**  trans-72.692.2175.5-178.60000106.6P363 H367P363-V365 PolarHBondContact O-N 3.11Å; V365-H367 PolarHBondContact O-N 3.32Å
366F28.5Very low45.3Very low178 Ų17893.3 Ų93.378%0.78152%0.518SS*.  trans-49.1125.6162.6-75.7-86.2000108H364 M368H364-F366 VanDerWaalsContact C-N 3.3Å; H364-F366 PolarHBondContact O-N 3.09Å; F366-M368 PolarHBondContact O-N 2.75Å
367H34.5Very low48.2Very low147 Ų14790.1 Ų90.168%0.68149%0.485SS*.  trans-73.777.9-174.9-132.874.3000109.1V365V365-H367 PolarHBondContact O-N 3.32Å
368M34.7Very low51.1Low117 Ų11786.7 Ų86.758%0.57646%0.457SS*.  trans-58.9134.8171.9-73.2-88.3-157.200109.4F366 A370 R375F366-M368 PolarHBondContact O-N 2.75Å; M368-A370 PolarHBondContact O-N 3.19Å; M368-R375 PolarHBondContact O-NH2 3.46Å
369P45.8Very low53.4Low39 Ų3984.2 Ų84.225%0.25345%0.451SS..  trans-56.3129.3172.123.2-30.8000108.9Y79 A307Y79-P369 WeakPolarHBondContact OH-CB 3.44Å; A307-P369 HydrophobicContact CB-CB 4.09Å; A307-P369 HydrophobicContact CB-CG 3.07Å
370A51.7Low56.1Low19 Ų1983.4 Ų83.416%0.15744%0.438CS..  trans-108.7106.9-146.900000110.1I74 M368 L372 R375I74-A370 HydrophobicContact CG2-CB 4.15Å; M368-A370 PolarHBondContact O-N 3.19Å; A370-L372 PolarHBondContact O-N 3.08Å; A370-R375 HydrophobicContact CB-CG 3.64Å
371V73.8Confident58.2Low9 Ų980.8 Ų80.86%0.05542%0.423CS..  trans-57.3118.3171.7-178.20000110.1R303 Y304 E306 W373 K374 R375 I390R303-V371 WeakPolarHBondContact O-CG1 3.46Å; Y304-V371 WeakPolarHBondContact O-CG1 3.43Å; Y304-V371 WeakPolarHBondContact O-CG2 3.49Å; E306-V371 HydrophobicContact CG-CG2 4.34Å; V371-W373 VanDerWaalsContact C-N 3.34Å; V371-W373 PolarHBondContact O-N 3.19Å; V371-K374 HydrophobicContact CB-CB 3.78Å; V371-K374 HydrophobicContact CG1-CB 3.97Å; V371-K374 PolarHBondContact O-N 3.1Å; V371-R375 PolarHBondContact O-N 3.21Å; V371-I390 HydrophobicContact CG1-CG2 3.86Å
372L80.7Confident60.6Low5 Ų577.4 Ų77.43%0.02640%0.397CS..Hα-helixtrans-53.3-47.9-174.2-169.371.5000112.8I74 S302 R303 A370 M376 P402 I405I74-L372 HydrophobicContact CB-CD1 4.19Å; I74-L372 HydrophobicContact CG2-CD1 4.07Å; S302-L372 WeakPolarHBondContact O-CB 3.26Å; R303-L372 HydrophobicContact CG-CD2 4.3Å; A370-L372 PolarHBondContact O-N 3.08Å; L372-M376 HydrophobicContact CD1-CE 3.46Å; L372-M376 VanDerWaalsContact CD1-CE 3.46Å; L372-M376 HydrophobicContact CD1-SD 4.47Å; L372-M376 HydrophobicContact CD2-CE 4.24Å; L372-M376 HydrophobicContact CG-CE 3.71Å; L372-M376 HydrophobicContact CG-SD 4.18Å; L372-M376 WeakPolarHBondContact O-CB 3.25Å; L372-M376 VanDerWaalsContact O-CG 3.24Å; L372-M376 WeakPolarHBondContact O-CG 3.4Å; L372-M376 PolarHBondContact O-N 3.38Å; L372-P402 HydrophobicContact CD1-CB 4.41Å; L372-P402 HydrophobicContact CD2-CB 4.03Å; L372-P402 HydrophobicContact CD2-CG 3.95Å; L372-I405 HydrophobicContact CD2-CD1 3.74Å
373W84.6Confident62.8Low0 Ų073 Ų730%039%0.386CS..Hα-helixtrans-63.9-49179.3-85.6104.5000112.4V371 R375 M376 I377 I390 L393 S397 I405 I409 F431 L435V371-W373 VanDerWaalsContact C-N 3.34Å; V371-W373 PolarHBondContact O-N 3.19Å; W373-R375 PolarHBondContact O-N 2.9Å; W373-M376 PolarHBondContact O-N 2.87Å; W373-I377 HydrophobicContact CE3-CD1 4.35Å; W373-I377 WeakPolarHBondContact O-CD1 3.46Å; W373-I377 VanDerWaalsContact O-CG1 3.26Å; W373-I377 WeakPolarHBondContact O-CG1 3.41Å; W373-I377 PolarHBondContact O-N 2.88Å; W373-I377 VanDerWaalsContact O-N 3.1Å; W373-I390 HydrophobicContact CB-CG2 3.89Å; W373-L393 HydrophobicContact CD2-CD2 3.45Å; W373-L393 VanDerWaalsContact CD2-CD2 3.45Å; W373-L393 HydrophobicContact CD2-CG 3.89Å; W373-L393 HydrophobicContact CE3-CD2 3.38Å; W373-L393 HydrophobicContact CE3-CG 4.21Å; W373-L393 HydrophobicContact CG-CD2 4.1Å; W373-L393 HydrophobicContact CG-CG 4.45Å; W373-L393 HydrophobicContact CH2-CD1 3.99Å; W373-L393 HydrophobicContact CH2-CD2 3.8Å; W373-L393 HydrophobicContact CH2-CG 3.99Å; W373-L393 HydrophobicContact CZ2-CD1 3.88Å; W373-L393 HydrophobicContact CZ2-CD2 3.87Å; W373-L393 HydrophobicContact CZ2-CG 3.65Å; W373-L393 HydrophobicContact CZ3-CD2 3.55Å; W373-L393 HydrophobicContact CZ3-CG 4.26Å; W373-S397 PolarHBondContact NE1-OG 2.84Å; W373-S397 VanDerWaalsContact NE1-OG 3.11Å; W373-I405 HydrophobicContact CD2-CG2 3.67Å; W373-I405 HydrophobicContact CE3-CG2 3.77Å; W373-I405 HydrophobicContact CG-CG2 4.41Å; W373-I405 HydrophobicContact CH2-CB 4.47Å; W373-I405 HydrophobicContact CH2-CG1 4.49Å; W373-I405 HydrophobicContact CH2-CG2 3.75Å; W373-I405 HydrophobicContact CZ2-CB 4.19Å; W373-I405 HydrophobicContact CZ2-CD1 4.37Å; W373-I405 HydrophobicContact CZ2-CG1 3.79Å; W373-I405 HydrophobicContact CZ2-CG2 3.63Å; W373-I405 HydrophobicContact CZ3-CG2 3.82Å; W373-I409 HydrophobicContact CE3-CD1 3.77Å; W373-I409 HydrophobicContact CE3-CG1 4.02Å; W373-I409 HydrophobicContact CH2-CG1 4.46Å; W373-I409 HydrophobicContact CZ3-CD1 3.79Å; W373-I409 HydrophobicContact CZ3-CG1 3.53Å; W373-F431 HydrophobicContact CH2-CB 4.17Å; W373-F431 HydrophobicContact CH2-CD1 4.26Å; W373-F431 HydrophobicContact CH2-CG 4.27Å; W373-F431 HydrophobicContact CZ3-CB 4.45Å; W373-F431 AromaticContact CZ3-CD1 3.83Å; W373-F431 HydrophobicContact CZ3-CD1 3.83Å; W373-F431 HydrophobicContact CZ3-CE1 4.24Å; W373-F431 HydrophobicContact CZ3-CG 4.06Å; W373-L435 HydrophobicContact CH2-CD1 4.37Å; W373-L435 HydrophobicContact CZ2-CD1 4.24Å
374K83.3Confident64.6Low83 Ų8369.1 Ų69.136%0.36136%0.361SS..Hα-helixtrans-56.4-52.4178.6177160.2-177.8179.40111V371 M376 I377 E378 P384 I390V371-K374 HydrophobicContact CB-CB 3.78Å; V371-K374 HydrophobicContact CG1-CB 3.97Å; V371-K374 PolarHBondContact O-N 3.1Å; K374-M376 PolarHBondContact O-N 3.32Å; K374-I377 PolarHBondContact O-N 2.92Å; K374-E378 WeakPolarHBondContact CE-OE1 3.4Å; K374-E378 HydrophobicContact CG-CG 4.38Å; K374-E378 WeakPolarHBondContact CG-OE1 3.4Å; K374-E378 WeakPolarHBondContact O-CB 3.5Å; K374-E378 VanDerWaalsContact O-CG 3.28Å; K374-E378 WeakPolarHBondContact O-CG 3.24Å; K374-E378 PolarHBondContact O-N 2.92Å; K374-P384 HydrophobicContact CB-CG 4.39Å; K374-P384 HydrophobicContact CD-CG 4.18Å; K374-P384 HydrophobicContact CG-CG 3.68Å; K374-I390 HydrophobicContact CB-CD1 4.26Å
375R80.3Confident66.8Low67 Ų6764 Ų6425%0.25334%0.342SS..Hα-helixtrans-65-39-178.4-72.3-65-171.8163.22.4113.3I74 M368 A370 V371 W373 I377 E378 A379I74-R375 HydrophobicContact CD1-CB 3.58Å; I74-R375 HydrophobicContact CD1-CG 4.41Å; I74-R375 HydrophobicContact CG1-CB 4.47Å; M368-R375 PolarHBondContact O-NH2 3.46Å; A370-R375 HydrophobicContact CB-CG 3.64Å; V371-R375 PolarHBondContact O-N 3.21Å; W373-R375 PolarHBondContact O-N 2.9Å; R375-I377 VanDerWaalsContact C-N 3.29Å; R375-I377 PolarHBondContact O-N 3.46Å; R375-E378 WeakPolarHBondContact CD-OE2 3.31Å; R375-E378 PolarHBondContact O-N 3.44Å; R375-A379 VanDerWaalsContact O-CB 3.25Å; R375-A379 WeakPolarHBondContact O-CB 3.3Å; R375-A379 PolarHBondContact O-N 3.28Å
376M83.9Confident68.8Low22 Ų2268.2 Ų68.211%0.10836%0.355CS..Hα-helixtrans-67.4-32.2177.9-74.1-178.5179.100112.5I74 L372 W373 K374 P402 I405 L406 I409I74-M376 HydrophobicContact CD1-CG 4.5Å; L372-M376 HydrophobicContact CD1-CE 3.46Å; L372-M376 VanDerWaalsContact CD1-CE 3.46Å; L372-M376 HydrophobicContact CD1-SD 4.47Å; L372-M376 HydrophobicContact CD2-CE 4.24Å; L372-M376 HydrophobicContact CG-CE 3.71Å; L372-M376 HydrophobicContact CG-SD 4.18Å; L372-M376 WeakPolarHBondContact O-CB 3.25Å; L372-M376 VanDerWaalsContact O-CG 3.24Å; L372-M376 WeakPolarHBondContact O-CG 3.4Å; L372-M376 PolarHBondContact O-N 3.38Å; W373-M376 PolarHBondContact O-N 2.87Å; K374-M376 PolarHBondContact O-N 3.32Å; M376-P402 HydrophobicContact CE-CB 3.86Å; M376-I405 HydrophobicContact SD-CB 4.31Å; M376-I405 HydrophobicContact SD-CG2 3.69Å; M376-L406 HydrophobicContact CG-CD1 4.44Å; M376-L406 HydrophobicContact SD-CB 4.33Å; M376-L406 HydrophobicContact SD-CD1 4.3Å; M376-I409 HydrophobicContact CB-CD1 3.48Å; M376-I409 VanDerWaalsContact CB-CD1 3.48Å; M376-I409 HydrophobicContact CG-CD1 4.46Å; M376-I409 HydrophobicContact SD-CD1 4.2Å
377I85.5Confident70.8Confident0 Ų066 Ų660%035%0.347CS..Hα-helixtrans-74.8-44.1174.2-65.1168.2000110.3W373 K374 R375 A379 R380 I382 L388 I409 F431W373-I377 HydrophobicContact CE3-CD1 4.35Å; W373-I377 WeakPolarHBondContact O-CD1 3.46Å; W373-I377 VanDerWaalsContact O-CG1 3.26Å; W373-I377 WeakPolarHBondContact O-CG1 3.41Å; W373-I377 PolarHBondContact O-N 2.88Å; W373-I377 VanDerWaalsContact O-N 3.1Å; K374-I377 PolarHBondContact O-N 2.92Å; R375-I377 VanDerWaalsContact C-N 3.29Å; R375-I377 PolarHBondContact O-N 3.46Å; I377-A379 VanDerWaalsContact C-N 3.28Å; I377-A379 PolarHBondContact O-N 3.47Å; I377-R380 WeakPolarHBondContact O-CA 3.31Å; I377-R380 WeakPolarHBondContact O-CB 3.4Å; I377-R380 PolarHBondContact O-N 3.33Å; I377-I382 CarbonylContact C-O 3.52Å; I377-I382 HydrophobicContact CG2-CB 3.94Å; I377-I382 HydrophobicContact CG2-CG2 4.13Å; I377-I382 PolarHBondContact O-N 3.5Å; I377-L388 HydrophobicContact CD1-CD2 3.55Å; I377-I409 HydrophobicContact CG1-CD1 4.1Å; I377-I409 HydrophobicContact CG1-CG1 4.47Å; I377-F431 HydrophobicContact CD1-CZ 4.43Å
378E84.1Confident72.9Confident41 Ų4159.5 Ų59.519%0.19232%0.317CS..Hα-helixtrans-60.7-36.3174.9-73.8171.7-177.200112.3K374 R375 R380 G381 I382 P384K374-E378 WeakPolarHBondContact CE-OE1 3.4Å; K374-E378 HydrophobicContact CG-CG 4.38Å; K374-E378 WeakPolarHBondContact CG-OE1 3.4Å; K374-E378 WeakPolarHBondContact O-CB 3.5Å; K374-E378 VanDerWaalsContact O-CG 3.28Å; K374-E378 WeakPolarHBondContact O-CG 3.24Å; K374-E378 PolarHBondContact O-N 2.92Å; R375-E378 WeakPolarHBondContact CD-OE2 3.31Å; R375-E378 PolarHBondContact O-N 3.44Å; E378-R380 PolarHBondContact O-N 3.46Å; E378-R380 VanDerWaalsContact O-N 3.15Å; E378-G381 WeakPolarHBondContact O-CA 3.42Å; E378-G381 PolarHBondContact O-N 3.37Å; E378-I382 VanDerWaalsContact CA-O 3.3Å; E378-I382 WeakPolarHBondContact CA-O 3.12Å; E378-I382 PolarHBondContact N-O 2.95Å; E378-P384 HydrophobicContact CG-CG 4.33Å
379A80.1Confident75.2Confident86 Ų8658.6 Ų58.671%0.71131%0.314SS*.THydrogen-bonded Turntrans-62.8-18.2174.600000113R375 I377 G381R375-A379 VanDerWaalsContact O-CB 3.25Å; R375-A379 WeakPolarHBondContact O-CB 3.3Å; R375-A379 PolarHBondContact O-N 3.28Å; I377-A379 VanDerWaalsContact C-N 3.28Å; I377-A379 PolarHBondContact O-N 3.47Å; A379-G381 VanDerWaalsContact C-N 3.33Å
380R80.4Confident77.1Confident111 Ų11157.9 Ų57.942%0.41931%0.308SS..THydrogen-bonded Turntrans-91.25.9171.5-64.9-65.4-170.1142.9-10.5113.1I377 E378 I409 L413I377-R380 WeakPolarHBondContact O-CA 3.31Å; I377-R380 WeakPolarHBondContact O-CB 3.4Å; I377-R380 PolarHBondContact O-N 3.33Å; E378-R380 PolarHBondContact O-N 3.46Å; E378-R380 VanDerWaalsContact O-N 3.15Å; R380-I409 HydrophobicContact CG-CG2 4.4Å; R380-L413 HydrophobicContact CB-CD1 3.99Å; R380-L413 HydrophobicContact CG-CD1 4.09Å
381G72.4Confident78.6Confident60 Ų6059 Ų5962%0.61931%0.314SS*.THydrogen-bonded Turntrans83.313.4177.900000114.4E378 A379E378-G381 WeakPolarHBondContact O-CA 3.42Å; E378-G381 PolarHBondContact O-N 3.37Å; A379-G381 VanDerWaalsContact C-N 3.33Å
382I77.3Confident79.1Confident19 Ų1960.5 Ų60.510%0.09733%0.328CS..  trans-108.7124.3-179.7-57.6168.1000108.9I377 E378 L413 F418 L421 L426I377-I382 CarbonylContact C-O 3.52Å; I377-I382 HydrophobicContact CG2-CB 3.94Å; I377-I382 HydrophobicContact CG2-CG2 4.13Å; I377-I382 PolarHBondContact O-N 3.5Å; E378-I382 VanDerWaalsContact CA-O 3.3Å; E378-I382 WeakPolarHBondContact CA-O 3.12Å; E378-I382 PolarHBondContact N-O 2.95Å; I382-L413 HydrophobicContact CD1-CD1 3.72Å; I382-L413 HydrophobicContact CD1-CD2 3.6Å; I382-L413 HydrophobicContact CD1-CG 4.27Å; I382-F418 HydrophobicContact CD1-CD2 4.11Å; I382-F418 HydrophobicContact CD1-CE2 4.13Å; I382-F418 HydrophobicContact CG1-CD2 4.3Å; I382-F418 HydrophobicContact CG1-CE2 3.82Å; I382-L421 HydrophobicContact CD1-CD1 3.44Å; I382-L421 VanDerWaalsContact CD1-CD1 3.44Å; I382-L421 HydrophobicContact CG1-CD1 3.95Å; I382-L426 HydrophobicContact CD1-CD1 4.3Å; I382-L426 HydrophobicContact CG2-CD1 4.06Å
383Q72.8Confident79.4Confident135 Ų13560.5 Ų60.563%0.63133%0.328SS*.PPolyproline II helixtrans-77.8125.8169.2-65.6-59.7-4000109.1T385Q383-T385 PolarHBondContact O-N 3.24Å; Q383-T385 VanDerWaalsContact O-N 3.15Å
384P68.5Low79.4Confident31 Ų3160.5 Ų60.520%0.20133%0.328CS..PPolyproline II helixtrans-64.6119.3178.910.4-10.2000109.7K374 E378 L388 I390K374-P384 HydrophobicContact CB-CG 4.39Å; K374-P384 HydrophobicContact CD-CG 4.18Å; K374-P384 HydrophobicContact CG-CG 3.68Å; E378-P384 HydrophobicContact CG-CG 4.33Å; P384-L388 HydrophobicContact CB-CD2 4.43Å; P384-I390 HydrophobicContact CB-CD1 4.38Å
385T72.5Confident79.6Confident68 Ų6863.3 Ų63.342%0.41734%0.34SS..PPolyproline II helixtrans-73.5154.9173.853.60000110.6Q383 H387 L388Q383-T385 PolarHBondContact O-N 3.24Å; Q383-T385 VanDerWaalsContact O-N 3.15Å; T385-H387 PolarHBondContact O-N 3.37Å; T385-L388 PolarHBondContact O-N 3.18Å
386Q69.1Low80Confident195 Ų19563.8 Ų63.891%0.91135%0.351SS*.THydrogen-bonded Turntrans-56.3-20.3174.9-65.2178.9-100113.9L388Q386-L388 PolarHBondContact O-N 2.85Å
387H70Confident80.1Confident133 Ų13362.7 Ų62.762%0.61635%0.345SS*.THydrogen-bonded Turntrans-70.6-13175.7-64-64.9000114.8T385T385-H387 PolarHBondContact O-N 3.37Å
388L80.3Confident80.2Confident10 Ų1067 Ų675%0.05237%0.368CS..SBendtrans-92.4104.4177.3-176.867.1000109.6I377 P384 T385 Q386 I390 A428 F431I377-L388 HydrophobicContact CD1-CD2 3.55Å; P384-L388 HydrophobicContact CB-CD2 4.43Å; T385-L388 PolarHBondContact O-N 3.18Å; Q386-L388 PolarHBondContact O-N 2.85Å; L388-I390 VanDerWaalsContact C-N 3.33Å; L388-I390 HydrophobicContact CD2-CG1 4.27Å; L388-I390 HydrophobicContact CG-CG1 4.24Å; L388-I390 PolarHBondContact O-N 3.01Å; L388-A428 HydrophobicContact CD1-CB 4.33Å; L388-F431 HydrophobicContact CD1-CD2 4.46Å; L388-F431 HydrophobicContact CD1-CE2 3.94Å
389D82.9Confident80.2Confident97 Ų9765.5 Ų65.552%0.51936%0.364SS..  trans-71.685.1174.8-70-36000111.5S391 A392 L393D389-S391 PolarHBondContact O-N 3.16Å; D389-A392 HydrophobicContact CB-CB 3.94Å; D389-A392 PolarHBondContact O-N 3.31Å; D389-L393 WeakPolarHBondContact O-CB 3.34Å; D389-L393 PolarHBondContact O-N 2.97Å
390I84.2Confident80.6Confident25 Ų2562.7 Ų62.713%0.12834%0.335CS..Hα-helixtrans-64.6-32.6-179.8-54.5170.8000110.9Y304 V371 W373 K374 P384 L388 L393 A394Y304-I390 HydrophobicContact CD2-CB 4.26Å; Y304-I390 HydrophobicContact CD2-CG2 4.08Å; Y304-I390 HydrophobicContact CE2-CB 4.34Å; V371-I390 HydrophobicContact CG1-CG2 3.86Å; W373-I390 HydrophobicContact CB-CG2 3.89Å; K374-I390 HydrophobicContact CB-CD1 4.26Å; P384-I390 HydrophobicContact CB-CD1 4.38Å; L388-I390 VanDerWaalsContact C-N 3.33Å; L388-I390 HydrophobicContact CD2-CG1 4.27Å; L388-I390 HydrophobicContact CG-CG1 4.24Å; L388-I390 PolarHBondContact O-N 3.01Å; I390-L393 PolarHBondContact O-N 3.31Å; I390-A394 VanDerWaalsContact O-CB 3.25Å; I390-A394 WeakPolarHBondContact O-CB 3.32Å; I390-A394 PolarHBondContact O-N 3.37Å
391S83.1Confident81.1Confident41 Ų4157.4 Ų57.429%0.28732%0.315SS..Hα-helixtrans-63.8-48.217860.50000111.9Y304 D389 L393 A394 K395Y304-S391 VanDerWaalsContact CE2-CA 3.5Å; Y304-S391 VanDerWaalsContact CE2-CB 3.41Å; D389-S391 PolarHBondContact O-N 3.16Å; S391-L393 VanDerWaalsContact C-N 3.34Å; S391-A394 PolarHBondContact O-N 2.92Å; S391-K395 WeakPolarHBondContact O-CG 3.34Å; S391-K395 PolarHBondContact O-N 3.2Å
392A84.4Confident81.8Confident42 Ų4255.4 Ų55.435%0.34729%0.291SS..Hα-helixtrans-61.5-45.3175.100000110.6D389 A394 K395 V396D389-A392 HydrophobicContact CB-CB 3.94Å; D389-A392 PolarHBondContact O-N 3.31Å; A392-A394 VanDerWaalsContact C-N 3.32Å; A392-A394 PolarHBondContact O-N 3.33Å; A392-K395 PolarHBondContact O-N 3.26Å; A392-V396 WeakPolarHBondContact O-CG2 3.44Å; A392-V396 PolarHBondContact O-N 3.18Å
393L86.9Confident82.3Confident5 Ų555.7 Ų55.73%0.02630%0.299CS..Hα-helixtrans-62.4-38.3178.3-17160.1000112.4W373 D389 I390 S391 V396 S397 A428 F431 L435W373-L393 HydrophobicContact CD2-CD2 3.45Å; W373-L393 VanDerWaalsContact CD2-CD2 3.45Å; W373-L393 HydrophobicContact CD2-CG 3.89Å; W373-L393 HydrophobicContact CE3-CD2 3.38Å; W373-L393 HydrophobicContact CE3-CG 4.21Å; W373-L393 HydrophobicContact CG-CD2 4.1Å; W373-L393 HydrophobicContact CG-CG 4.45Å; W373-L393 HydrophobicContact CH2-CD1 3.99Å; W373-L393 HydrophobicContact CH2-CD2 3.8Å; W373-L393 HydrophobicContact CH2-CG 3.99Å; W373-L393 HydrophobicContact CZ2-CD1 3.88Å; W373-L393 HydrophobicContact CZ2-CD2 3.87Å; W373-L393 HydrophobicContact CZ2-CG 3.65Å; W373-L393 HydrophobicContact CZ3-CD2 3.55Å; W373-L393 HydrophobicContact CZ3-CG 4.26Å; D389-L393 WeakPolarHBondContact O-CB 3.34Å; D389-L393 PolarHBondContact O-N 2.97Å; I390-L393 PolarHBondContact O-N 3.31Å; S391-L393 VanDerWaalsContact C-N 3.34Å; L393-V396 PolarHBondContact O-N 3.45Å; L393-S397 VanDerWaalsContact O-CB 3.25Å; L393-S397 WeakPolarHBondContact O-CB 3.24Å; L393-S397 PolarHBondContact O-N 3.5Å; L393-S397 PolarHBondContact O-OG 3.28Å; L393-A428 HydrophobicContact CB-CB 4.48Å; L393-F431 HydrophobicContact CD1-CB 3.9Å; L393-F431 HydrophobicContact CD2-CD2 4.12Å; L393-F431 HydrophobicContact CD2-CG 4.46Å; L393-L435 HydrophobicContact CD1-CD1 4.43Å
394A86.4Confident83.2Confident0 Ų050.7 Ų50.70%028%0.275CS..Hα-helixtrans-68.8-33.517600000113.2Y300 R303 I390 S391 A392 S397Y300-A394 HydrophobicContact CD2-CB 3.96Å; Y300-A394 HydrophobicContact CE2-CB 3.62Å; R303-A394 HydrophobicContact CB-CB 3.93Å; I390-A394 VanDerWaalsContact O-CB 3.25Å; I390-A394 WeakPolarHBondContact O-CB 3.32Å; I390-A394 PolarHBondContact O-N 3.37Å; S391-A394 PolarHBondContact O-N 2.92Å; A392-A394 VanDerWaalsContact C-N 3.32Å; A392-A394 PolarHBondContact O-N 3.33Å; A394-S397 WeakPolarHBondContact CA-OG 3.43Å; A394-S397 PolarHBondContact O-OG 3.14Å
395K86.6Confident84.2Confident141 Ų14149.2 Ų49.261%0.61327%0.266SS*.Hα-helixtrans-70.2-45.5173-69.8-176.7-175.4174.20111.3Y300 S391 A392 S397 D398Y300-K395 HydrophobicContact CD2-CG 4.04Å; Y300-K395 HydrophobicContact CE2-CB 4.38Å; Y300-K395 HydrophobicContact CE2-CG 3.42Å; Y300-K395 VanDerWaalsContact CE2-CG 3.42Å; S391-K395 WeakPolarHBondContact O-CG 3.34Å; S391-K395 PolarHBondContact O-N 3.2Å; A392-K395 PolarHBondContact O-N 3.26Å; K395-S397 VanDerWaalsContact C-N 3.33Å; K395-D398 WeakPolarHBondContact O-CB 3.48Å; K395-D398 PolarHBondContact O-N 3.26Å
396V87.8Confident85Confident77 Ų7748.8 Ų48.847%0.46726%0.261SS..Hα-helixtrans-71.5-30.1-178.21770000111.9A392 L393 D398 L432A392-V396 WeakPolarHBondContact O-CG2 3.44Å; A392-V396 PolarHBondContact O-N 3.18Å; L393-V396 PolarHBondContact O-N 3.45Å; V396-D398 PolarHBondContact O-N 3.14Å; V396-L432 HydrophobicContact CG1-CD1 3.47Å; V396-L432 VanDerWaalsContact CG1-CD1 3.47Å
397S87.6Confident86Confident0 Ų044.5 Ų44.50%024%0.24CC..THydrogen-bonded Turntrans-79.519.117258.20000113.5R303 W373 L393 A394 K395 Y400R303-S397 PolarHBondContact NH1-O 3.01Å; W373-S397 PolarHBondContact NE1-OG 2.84Å; W373-S397 VanDerWaalsContact NE1-OG 3.11Å; L393-S397 VanDerWaalsContact O-CB 3.25Å; L393-S397 WeakPolarHBondContact O-CB 3.24Å; L393-S397 PolarHBondContact O-N 3.5Å; L393-S397 PolarHBondContact O-OG 3.28Å; A394-S397 WeakPolarHBondContact CA-OG 3.43Å; A394-S397 PolarHBondContact O-OG 3.14Å; K395-S397 VanDerWaalsContact C-N 3.33Å; S397-Y400 PolarHBondContact O-N 3.3Å; S397-Y400 VanDerWaalsContact O-N 3.16Å
398D86.3Confident87Confident90 Ų9038.1 Ų38.148%0.48121%0.211SC..THydrogen-bonded Turntrans-60.6138.9169.4-157.317.2000111.5R297 R303 K395 V396 Y400R297-D398 IonicContact CZ-OD1 2.9Å; R297-D398 IonicContact NH1-OD1 2.67Å; R297-D398 PolarHBondContact NH1-OD1 2.97Å; R303-D398 IonicContact CZ-OD1 2.81Å; R303-D398 VanDerWaalsContact NH1-CA 3.3Å; R303-D398 IonicContact NH1-OD1 3.82Å; R303-D398 PolarHBondContact NH1-OD1 3.3Å; R303-D398 IonicContact NH2-OD1 2.87Å; R303-D398 PolarHBondContact NH2-OD1 2.89Å; K395-D398 WeakPolarHBondContact O-CB 3.48Å; K395-D398 PolarHBondContact O-N 3.26Å; V396-D398 PolarHBondContact O-N 3.14Å; D398-Y400 VanDerWaalsContact C-N 3.26Å; D398-Y400 WeakPolarHBondContact O-CD2 3.27Å; D398-Y400 PolarHBondContact O-N 3.39Å
399G84.6Confident87.4Confident10 Ų1037.7 Ų37.710%0.10321%0.209CC..THydrogen-bonded Turntrans80.1-14.6-171.700000116.4V441G399-V441 PolarHBondContact O-N 3.28Å
400Y89.1Confident87.8Confident27 Ų2737.5 Ų37.511%0.10621%0.205CC..  trans-86.2152.7178.1-66.3-89000113.2S397 D398 H404 L435 L438 P440S397-Y400 PolarHBondContact O-N 3.3Å; S397-Y400 VanDerWaalsContact O-N 3.16Å; D398-Y400 VanDerWaalsContact C-N 3.26Å; D398-Y400 WeakPolarHBondContact O-CD2 3.27Å; D398-Y400 PolarHBondContact O-N 3.39Å; Y400-H404 HydrophobicContact CD1-CB 3.94Å; Y400-H404 AromaticContact CD1-ND1 3.89Å; Y400-L435 HydrophobicContact CD1-CD2 3.99Å; Y400-L435 HydrophobicContact CE1-CB 4.26Å; Y400-L435 HydrophobicContact CE1-CD2 4.27Å; Y400-L435 VanDerWaalsContact CE1-O 3.31Å; Y400-L435 WeakPolarHBondContact CE1-O 3.25Å; Y400-L435 HydrophobicContact CE2-CB 4.49Å; Y400-L435 HydrophobicContact CG-CD2 4.14Å; Y400-L435 PolarHBondContact OH-O 2.93Å; Y400-L438 HydrophobicContact CE1-CB 4.2Å; Y400-P440 HydrophobicContact CE1-CB 4.22Å; Y400-P440 HydrophobicContact CE2-CB 4.4Å
401T89.3Confident88Confident0 Ų038.7 Ų38.70%022%0.215CC..  trans-94.3158.618070.60000111.6S131 M133 G403 H404 I405 V441S131-T401 WeakPolarHBondContact O-CG2 3.44Å; M133-T401 HydrophobicContact CE-CG2 3.24Å; T401-G403 PolarHBondContact O-N 2.98Å; T401-G403 VanDerWaalsContact O-N 3.16Å; T401-H404 PolarHBondContact O-N 3.01Å; T401-H404 PolarHBondContact OG1-CD2 3.48Å; T401-H404 PolarHBondContact OG1-N 3.01Å; T401-H404 VanDerWaalsContact OG1-N 3.16Å; T401-H404 PolarHBondContact OG1-ND1 3.02Å; T401-I405 WeakPolarHBondContact O-CG1 3.4Å; T401-I405 PolarHBondContact O-N 3.3Å; T401-V441 HydrophobicContact CG2-CG2 3.41Å; T401-V441 VanDerWaalsContact CG2-CG2 3.41Å
402P88.1Confident88.3Confident18 Ų1837.4 Ų37.412%0.11721%0.206CC..Hα-helixtrans-52.1-34.9171.5-28.136000113.1M133 P298 L372 M376 I405 L406M133-P402 VanDerWaalsContact CE-CD 3.41Å; M133-P402 HydrophobicContact SD-CG 4.22Å; P298-P402 HydrophobicContact CG-CG 4.05Å; L372-P402 HydrophobicContact CD1-CB 4.41Å; L372-P402 HydrophobicContact CD2-CB 4.03Å; L372-P402 HydrophobicContact CD2-CG 3.95Å; M376-P402 HydrophobicContact CE-CB 3.86Å; P402-I405 PolarHBondContact O-N 3.19Å; P402-L406 WeakPolarHBondContact O-CB 3.42Å; P402-L406 PolarHBondContact O-N 2.63Å
403G88.3Confident88.5Confident24 Ų2436.1 Ų36.125%0.24719%0.193CC..Hα-helixtrans-67-41174.900000113.4G132 T401 L406 Q407G132-G403 WeakPolarHBondContact O-CA 3.38Å; G132-G403 PolarHBondContact O-N 3.09Å; T401-G403 PolarHBondContact O-N 2.98Å; T401-G403 VanDerWaalsContact O-N 3.16Å; G403-L406 PolarHBondContact O-N 2.94Å; G403-Q407 WeakPolarHBondContact O-CB 3.49Å; G403-Q407 PolarHBondContact O-N 2.84Å
404H90.3Very high88.5Confident31 Ų3138.5 Ų38.514%0.14421%0.21CC..Hα-helixtrans-65.3-41.9174.1-60.2160000111.2Y400 T401 Q407 A408 L438 D439Y400-H404 HydrophobicContact CD1-CB 3.94Å; Y400-H404 AromaticContact CD1-ND1 3.89Å; T401-H404 PolarHBondContact O-N 3.01Å; T401-H404 PolarHBondContact OG1-CD2 3.48Å; T401-H404 PolarHBondContact OG1-N 3.01Å; T401-H404 VanDerWaalsContact OG1-N 3.16Å; T401-H404 PolarHBondContact OG1-ND1 3.02Å; H404-Q407 PolarHBondContact O-N 3.33Å; H404-A408 WeakPolarHBondContact O-CB 3.42Å; H404-A408 PolarHBondContact O-N 3.15Å; H404-L438 HydrophobicContact CB-CD1 3.82Å; H404-L438 WeakPolarHBondContact O-CD1 3.43Å; H404-D439 PolarHBondContact CE1-O 3.4Å
405I89.4Confident88.4Confident0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-60.9-48.5175.7-67.3168.9000110.1L372 W373 M376 T401 P402 Q407 A408 I409L372-I405 HydrophobicContact CD2-CD1 3.74Å; W373-I405 HydrophobicContact CD2-CG2 3.67Å; W373-I405 HydrophobicContact CE3-CG2 3.77Å; W373-I405 HydrophobicContact CG-CG2 4.41Å; W373-I405 HydrophobicContact CH2-CB 4.47Å; W373-I405 HydrophobicContact CH2-CG1 4.49Å; W373-I405 HydrophobicContact CH2-CG2 3.75Å; W373-I405 HydrophobicContact CZ2-CB 4.19Å; W373-I405 HydrophobicContact CZ2-CD1 4.37Å; W373-I405 HydrophobicContact CZ2-CG1 3.79Å; W373-I405 HydrophobicContact CZ2-CG2 3.63Å; W373-I405 HydrophobicContact CZ3-CG2 3.82Å; M376-I405 HydrophobicContact SD-CB 4.31Å; M376-I405 HydrophobicContact SD-CG2 3.69Å; T401-I405 WeakPolarHBondContact O-CG1 3.4Å; T401-I405 PolarHBondContact O-N 3.3Å; P402-I405 PolarHBondContact O-N 3.19Å; I405-Q407 PolarHBondContact O-N 3.22Å; I405-A408 PolarHBondContact O-N 3.48Å; I405-I409 HydrophobicContact CG2-CD1 3.83Å; I405-I409 HydrophobicContact CG2-CG1 4.5Å; I405-I409 VanDerWaalsContact O-CG1 3.28Å; I405-I409 WeakPolarHBondContact O-CG1 3.46Å; I405-I409 PolarHBondContact O-N 3.43Å
406L89.4Confident88.3Confident59 Ų5949.2 Ų49.231%0.30925%0.254SS..Hα-helixtrans-55.7-53.2175.8-170.582.1000109.8M376 P402 G403 A408 I409 Q410M376-L406 HydrophobicContact CG-CD1 4.44Å; M376-L406 HydrophobicContact SD-CB 4.33Å; M376-L406 HydrophobicContact SD-CD1 4.3Å; P402-L406 WeakPolarHBondContact O-CB 3.42Å; P402-L406 PolarHBondContact O-N 2.63Å; G403-L406 PolarHBondContact O-N 2.94Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 3.01Å; L406-I409 CarbonylContact O-C 3.57Å; L406-I409 WeakPolarHBondContact O-CA 3.4Å; L406-I409 WeakPolarHBondContact O-CB 3.08Å; L406-I409 PolarHBondContact O-N 3.48Å; L406-Q410 HydrophobicContact CG-CG 4.35Å; L406-Q410 WeakPolarHBondContact O-CG 3.44Å; L406-Q410 PolarHBondContact O-N 2.96Å
407Q90.6Very high88.2Confident104 Ų10446.3 Ų46.349%0.48624%0.235SC..Hα-helixtrans-57.1-43.1-180-175.3176.9-3.200112.7G403 H404 I405 Q410 S411 L438G403-Q407 WeakPolarHBondContact O-CB 3.49Å; G403-Q407 PolarHBondContact O-N 2.84Å; H404-Q407 PolarHBondContact O-N 3.33Å; I405-Q407 PolarHBondContact O-N 3.22Å; Q407-Q410 PolarHBondContact O-N 3.23Å; Q407-S411 WeakPolarHBondContact O-CB 3.31Å; Q407-S411 PolarHBondContact O-N 3.24Å; Q407-S411 PolarHBondContact O-OG 3.38Å; Q407-L438 HydrophobicContact CB-CD1 4.35Å; Q407-L438 HydrophobicContact CG-CD1 4.45Å; Q407-L438 HydrophobicContact CG-CD2 4.45Å
408A91.1Very high88Confident0 Ų051.5 Ų51.50%026%0.257CS..Hα-helixtrans-60-46.4174.200000110.9H404 I405 L406 Q410 S411 V412 Q434 L435H404-A408 WeakPolarHBondContact O-CB 3.42Å; H404-A408 PolarHBondContact O-N 3.15Å; I405-A408 PolarHBondContact O-N 3.48Å; L406-A408 VanDerWaalsContact C-N 3.33Å; L406-A408 PolarHBondContact O-N 3.01Å; A408-Q410 PolarHBondContact O-N 3.29Å; A408-S411 WeakPolarHBondContact CA-OG 3.47Å; A408-S411 PolarHBondContact O-N 3.22Å; A408-S411 PolarHBondContact O-OG 3.39Å; A408-V412 WeakPolarHBondContact O-CG2 3.28Å; A408-V412 PolarHBondContact O-N 3.33Å; A408-Q434 HydrophobicContact CB-CB 4.24Å; A408-L435 HydrophobicContact CB-CD2 3.8Å; A408-L435 HydrophobicContact CB-CG 4.09Å
409I89.6Confident88Confident0 Ų053.7 Ų53.70%027%0.268CS..Hα-helixtrans-59.6-45.9175.8-66.7167.1000111.2W373 M376 I377 R380 I405 L406 S411 V412 L413 F431W373-I409 HydrophobicContact CE3-CD1 3.77Å; W373-I409 HydrophobicContact CE3-CG1 4.02Å; W373-I409 HydrophobicContact CH2-CG1 4.46Å; W373-I409 HydrophobicContact CZ3-CD1 3.79Å; W373-I409 HydrophobicContact CZ3-CG1 3.53Å; M376-I409 HydrophobicContact CB-CD1 3.48Å; M376-I409 VanDerWaalsContact CB-CD1 3.48Å; M376-I409 HydrophobicContact CG-CD1 4.46Å; M376-I409 HydrophobicContact SD-CD1 4.2Å; I377-I409 HydrophobicContact CG1-CD1 4.1Å; I377-I409 HydrophobicContact CG1-CG1 4.47Å; R380-I409 HydrophobicContact CG-CG2 4.4Å; I405-I409 HydrophobicContact CG2-CD1 3.83Å; I405-I409 HydrophobicContact CG2-CG1 4.5Å; I405-I409 VanDerWaalsContact O-CG1 3.28Å; I405-I409 WeakPolarHBondContact O-CG1 3.46Å; I405-I409 PolarHBondContact O-N 3.43Å; L406-I409 CarbonylContact O-C 3.57Å; L406-I409 WeakPolarHBondContact O-CA 3.4Å; L406-I409 WeakPolarHBondContact O-CB 3.08Å; L406-I409 PolarHBondContact O-N 3.48Å; I409-S411 VanDerWaalsContact C-N 3.27Å; I409-S411 PolarHBondContact O-N 3.33Å; I409-V412 PolarHBondContact O-N 2.82Å; I409-L413 HydrophobicContact CG2-CD1 3.53Å; I409-L413 HydrophobicContact CG2-CG 4.13Å; I409-L413 VanDerWaalsContact O-CB 3.28Å; I409-L413 WeakPolarHBondContact O-CB 3.33Å; I409-L413 PolarHBondContact O-N 2.86Å; I409-F431 HydrophobicContact CG1-CD1 4.37Å; I409-F431 HydrophobicContact CG1-CE1 4.02Å
410Q90.1Very high88Confident93 Ų9357.1 Ų57.144%0.43528%0.282SS..Hα-helixtrans-62.8-36.8179.3-48.6-164.8-21.800111.8L406 Q407 A408L406-Q410 HydrophobicContact CG-CG 4.35Å; L406-Q410 WeakPolarHBondContact O-CG 3.44Å; L406-Q410 PolarHBondContact O-N 2.96Å; Q407-Q410 PolarHBondContact O-N 3.23Å; A408-Q410 PolarHBondContact O-N 3.29Å
411S89.9Confident87.8Confident51 Ų5157.7 Ų57.736%0.35729%0.286SS..Hα-helixtrans-73.2-33.5179.669.20000113.5Q407 A408 I409 Q434Q407-S411 WeakPolarHBondContact O-CB 3.31Å; Q407-S411 PolarHBondContact O-N 3.24Å; Q407-S411 PolarHBondContact O-OG 3.38Å; A408-S411 WeakPolarHBondContact CA-OG 3.47Å; A408-S411 PolarHBondContact O-N 3.22Å; A408-S411 PolarHBondContact O-OG 3.39Å; I409-S411 VanDerWaalsContact C-N 3.27Å; I409-S411 PolarHBondContact O-N 3.33Å; S411-Q434 WeakPolarHBondContact OG-CB 3.42Å; S411-Q434 WeakPolarHBondContact OG-CG 3.34Å
412V89.5Confident87.5Confident13 Ų1362.8 Ų62.88%0.07932%0.322CS..Hα-helixtrans-79.3-47.6176.5175.20000110.7A408 I409 S414 R417 E430 F431 Q434A408-V412 WeakPolarHBondContact O-CG2 3.28Å; A408-V412 PolarHBondContact O-N 3.33Å; I409-V412 PolarHBondContact O-N 2.82Å; V412-S414 PolarHBondContact O-N 3.49Å; V412-R417 WeakPolarHBondContact O-CB 3.42Å; V412-R417 WeakPolarHBondContact O-CG 2.9Å; V412-E430 HydrophobicContact CG1-CB 4.1Å; V412-F431 HydrophobicContact CB-CD1 4.07Å; V412-F431 HydrophobicContact CB-CE1 3.91Å; V412-F431 HydrophobicContact CG1-CD1 4.35Å; V412-F431 HydrophobicContact CG1-CE1 3.98Å; V412-F431 HydrophobicContact CG1-CZ 4.27Å; V412-F431 HydrophobicContact CG2-CD1 3.77Å; V412-F431 HydrophobicContact CG2-CE1 4.15Å; V412-F431 HydrophobicContact CG2-CG 4.4Å; V412-Q434 HydrophobicContact CG2-CG 3.75Å
413L87.4Confident87.3Confident16 Ų1671 Ų718%0.08436%0.356CS..SBendtrans-82.156.2179.8-59.9-177.8000111.9R380 I382 I409 L426R380-L413 HydrophobicContact CB-CD1 3.99Å; R380-L413 HydrophobicContact CG-CD1 4.09Å; I382-L413 HydrophobicContact CD1-CD1 3.72Å; I382-L413 HydrophobicContact CD1-CD2 3.6Å; I382-L413 HydrophobicContact CD1-CG 4.27Å; I409-L413 HydrophobicContact CG2-CD1 3.53Å; I409-L413 HydrophobicContact CG2-CG 4.13Å; I409-L413 VanDerWaalsContact O-CB 3.28Å; I409-L413 WeakPolarHBondContact O-CB 3.33Å; I409-L413 PolarHBondContact O-N 2.86Å; L413-L426 HydrophobicContact CD2-CD1 4.03Å; L413-L426 HydrophobicContact CD2-CD2 3.87Å
414S86.8Confident87.2Confident54 Ų5476.6 Ų76.638%0.37837%0.37SS..  trans-67.6159.7165.563.80000110.9V412 R416 R417 F418V412-S414 PolarHBondContact O-N 3.49Å; S414-R416 PolarHBondContact O-N 3.45Å; S414-R417 PolarHBondContact O-N 3.48Å; S414-R417 PolarHBondContact OG-N 3.08Å; S414-F418 PolarHBondContact O-N 2.66Å
415E84.3Confident86.8Confident176 Ų17677.8 Ų77.882%0.82238%0.38SS*.Hα-helixtrans-52.5-41175.9-65177.4179.700111.9R417 F418 L419E415-R417 PolarHBondContact O-N 2.65Å; E415-F418 WeakPolarHBondContact O-CB 3.23Å; E415-F418 PolarHBondContact O-N 3.39Å; E415-L419 PolarHBondContact O-N 3.11Å
416R85.1Confident86.6Confident190 Ų19078.2 Ų78.272%0.71738%0.382SS*.Hα-helixtrans-61.7-43.5175.3-176178.2179.9171.71.9112.1S414 F418 L419 Q420S414-R416 PolarHBondContact O-N 3.45Å; R416-F418 VanDerWaalsContact C-N 3.29Å; R416-F418 PolarHBondContact O-N 3.05Å; R416-L419 PolarHBondContact O-N 3.17Å; R416-Q420 WeakPolarHBondContact O-CG 3.43Å; R416-Q420 PolarHBondContact O-N 3.18Å
417R85.3Confident86.4Confident17 Ų1778.2 Ų78.26%0.06439%0.385CS..Hα-helixtrans-65.8-37.7178.8-173.763.5177.2112.3-2.4110.5V412 S414 E415 L419 Q420 L421 R424 P425 E430V412-R417 WeakPolarHBondContact O-CB 3.42Å; V412-R417 WeakPolarHBondContact O-CG 2.9Å; S414-R417 PolarHBondContact O-N 3.48Å; S414-R417 PolarHBondContact OG-N 3.08Å; E415-R417 PolarHBondContact O-N 2.65Å; R417-L419 VanDerWaalsContact C-N 3.33Å; R417-L419 PolarHBondContact O-N 3.16Å; R417-Q420 PolarHBondContact O-N 3.18Å; R417-L421 WeakPolarHBondContact O-CG 3.47Å; R417-L421 PolarHBondContact O-N 3.05Å; R417-R424 PolarHBondContact NH1-O 3.46Å; R417-R424 PolarHBondContact NH2-O 2.7Å; R417-P425 PolarHBondContact NH2-O 2.67Å; R417-E430 IonicContact CZ-OE1 2.66Å; R417-E430 IonicContact CZ-OE2 2.92Å; R417-E430 IonicContact NE-OE1 3.33Å; R417-E430 IonicContact NE-OE2 3.19Å; R417-E430 PolarHBondContact NE-OE2 3.36Å; R417-E430 VanDerWaalsContact NH2-CD 3.27Å; R417-E430 IonicContact NH2-OE1 3.13Å; R417-E430 PolarHBondContact NH2-OE1 3.26Å; R417-E430 IonicContact NH2-OE2 2.68Å; R417-E430 PolarHBondContact NH2-OE2 3.38Å
418F84.4Confident86.2Confident108 Ų10874.3 Ų74.347%0.47437%0.37SS..Hα-helixtrans-56.2-45.1178.1-163.8-93.6000112.1I382 S414 E415 R416 Q420 L421I382-F418 HydrophobicContact CD1-CD2 4.11Å; I382-F418 HydrophobicContact CD1-CE2 4.13Å; I382-F418 HydrophobicContact CG1-CD2 4.3Å; I382-F418 HydrophobicContact CG1-CE2 3.82Å; S414-F418 PolarHBondContact O-N 2.66Å; E415-F418 WeakPolarHBondContact O-CB 3.23Å; E415-F418 PolarHBondContact O-N 3.39Å; R416-F418 VanDerWaalsContact C-N 3.29Å; R416-F418 PolarHBondContact O-N 3.05Å; F418-Q420 PolarHBondContact O-N 2.79Å; F418-L421 HydrophobicContact CD2-CD1 3.88Å; F418-L421 HydrophobicContact CE2-CD1 4.35Å; F418-L421 HydrophobicContact CG-CD1 4.3Å; F418-L421 WeakPolarHBondContact O-CB 3.1Å; F418-L421 WeakPolarHBondContact O-CG 3.28Å; F418-L421 PolarHBondContact O-N 2.87Å
419L85.7Confident85.9Confident137 Ų13777.9 Ų77.972%0.71740%0.395SS*.Hα-helixtrans-65.1-26176.4-64.6175.2000113.7E415 R416 R417 S422E415-L419 PolarHBondContact O-N 3.11Å; R416-L419 PolarHBondContact O-N 3.17Å; R417-L419 VanDerWaalsContact C-N 3.33Å; R417-L419 PolarHBondContact O-N 3.16Å; L419-S422 PolarHBondContact O-OG 3.5Å
420Q85.2Confident85.8Confident81 Ų8179.5 Ų79.538%0.37940%0.403SS..Hα-helixtrans-87.6-9.5-179.5-66.9178.2-10.300113.3R416 R417 F418 S422 K423 R424R416-Q420 WeakPolarHBondContact O-CG 3.43Å; R416-Q420 PolarHBondContact O-N 3.18Å; R417-Q420 PolarHBondContact O-N 3.18Å; F418-Q420 PolarHBondContact O-N 2.79Å; Q420-S422 PolarHBondContact O-N 2.76Å; Q420-K423 PolarHBondContact O-N 3.39Å; Q420-K423 VanDerWaalsContact O-N 3.08Å; Q420-R424 PolarHBondContact O-N 3.42Å
421L83.4Confident85.8Confident39 Ų3975 Ų7520%0.20438%0.382CS..THydrogen-bonded Turntrans-60.6-33-177.5-69.4175.3000113I382 R417 F418 K423 L426I382-L421 HydrophobicContact CD1-CD1 3.44Å; I382-L421 VanDerWaalsContact CD1-CD1 3.44Å; I382-L421 HydrophobicContact CG1-CD1 3.95Å; R417-L421 WeakPolarHBondContact O-CG 3.47Å; R417-L421 PolarHBondContact O-N 3.05Å; F418-L421 HydrophobicContact CD2-CD1 3.88Å; F418-L421 HydrophobicContact CE2-CD1 4.35Å; F418-L421 HydrophobicContact CG-CD1 4.3Å; F418-L421 WeakPolarHBondContact O-CB 3.1Å; F418-L421 WeakPolarHBondContact O-CG 3.28Å; F418-L421 PolarHBondContact O-N 2.87Å; L421-K423 PolarHBondContact O-N 3.35Å; L421-L426 HydrophobicContact CD2-CD1 3.88Å; L421-L426 HydrophobicContact CD2-CD2 3.64Å; L421-L426 HydrophobicContact CD2-CG 3.45Å; L421-L426 VanDerWaalsContact CD2-CG 3.45Å
422S82.6Confident85.7Confident108 Ų10876.2 Ų76.276%0.75538%0.384SS*.THydrogen-bonded Turntrans-65.6-27.1177.456.90000113.3L419 Q420L419-S422 PolarHBondContact O-OG 3.5Å; Q420-S422 PolarHBondContact O-N 2.76Å
423K85.7Confident85.6Confident191 Ų19177.7 Ų77.783%0.8340%0.401SS*.THydrogen-bonded Turntrans-101.9-33.7-178.4-63.5-175-179.9-176.90113.1Q420 L421Q420-K423 PolarHBondContact O-N 3.39Å; Q420-K423 VanDerWaalsContact O-N 3.08Å; L421-K423 PolarHBondContact O-N 3.35Å
424R84.3Confident85.7Confident141 Ų14179.4 Ų79.453%0.53241%0.409SS..SBendtrans-132.2111-176.8178.5-179.8161.7169.9-2.2109.4R417 Q420 E430R417-R424 PolarHBondContact NH1-O 3.46Å; R417-R424 PolarHBondContact NH2-O 2.7Å; Q420-R424 PolarHBondContact O-N 3.42Å; R424-E430 IonicContact CZ-OE1 3.64Å; R424-E430 VanDerWaalsContact CZ-OE1 3.29Å; R424-E430 IonicContact NE-OE1 3.7Å; R424-E430 PolarHBondContact NE-OE1 2.73Å; R424-E430 IonicContact NH2-OE1 2.93Å; R424-E430 PolarHBondContact NH2-OE1 2.9Å
425P83.6Confident85.8Confident56 Ų5676.9 Ų76.936%0.36439%0.391SS..  trans-63.1163.8179.727.6-34.4000111.6R417R417-P425 PolarHBondContact NH2-O 2.67Å
426L84.4Confident86.1Confident9 Ų973.5 Ų73.55%0.04738%0.383CS..  trans-76135.7176.2-73166.5000110.3I382 L413 L421I382-L426 HydrophobicContact CD1-CD1 4.3Å; I382-L426 HydrophobicContact CG2-CD1 4.06Å; L413-L426 HydrophobicContact CD2-CD1 4.03Å; L413-L426 HydrophobicContact CD2-CD2 3.87Å; L421-L426 HydrophobicContact CD2-CD1 3.88Å; L421-L426 HydrophobicContact CD2-CD2 3.64Å; L421-L426 HydrophobicContact CD2-CG 3.45Å; L421-L426 VanDerWaalsContact CD2-CG 3.45Å
427V85.7Confident86.4Confident59 Ų5971.4 Ų71.436%0.35838%0.379SS..  trans-123.4144179.1-1740000109.2S429 E430V427-S429 WeakPolarHBondContact CG1-OG 3.15Å; V427-S429 PolarHBondContact O-N 3.35Å; V427-E430 PolarHBondContact O-N 2.93Å
428A84.9Confident86.6Confident21 Ų2171.8 Ų71.817%0.17438%0.382CS..Hα-helixtrans-58.2-31.1-178.800000113.5L388 L393 E430 F431 L432L388-A428 HydrophobicContact CD1-CB 4.33Å; L393-A428 HydrophobicContact CB-CB 4.48Å; A428-E430 VanDerWaalsContact C-N 3.25Å; A428-E430 PolarHBondContact O-N 3.23Å; A428-F431 PolarHBondContact O-N 3.26Å; A428-L432 PolarHBondContact O-N 2.94Å
429S86.3Confident86.8Confident76 Ų7672.9 Ų72.953%0.53139%0.393SS..Hα-helixtrans-63.5-26.3179.958.20000114V427 F431 L432V427-S429 WeakPolarHBondContact CG1-OG 3.15Å; V427-S429 PolarHBondContact O-N 3.35Å; S429-F431 VanDerWaalsContact C-N 3.31Å; S429-F431 PolarHBondContact O-N 3.48Å; S429-L432 PolarHBondContact O-N 2.86Å
430E86.9Confident86.9Confident33 Ų3368.2 Ų68.215%0.15437%0.37CS..Hα-helixtrans-67-34.8178.3-64.3-177.9-171.200111.7V412 R417 R424 V427 A428V412-E430 HydrophobicContact CG1-CB 4.1Å; R417-E430 IonicContact CZ-OE1 2.66Å; R417-E430 IonicContact CZ-OE2 2.92Å; R417-E430 IonicContact NE-OE1 3.33Å; R417-E430 IonicContact NE-OE2 3.19Å; R417-E430 PolarHBondContact NE-OE2 3.36Å; R417-E430 VanDerWaalsContact NH2-CD 3.27Å; R417-E430 IonicContact NH2-OE1 3.13Å; R417-E430 PolarHBondContact NH2-OE1 3.26Å; R417-E430 IonicContact NH2-OE2 2.68Å; R417-E430 PolarHBondContact NH2-OE2 3.38Å; R424-E430 IonicContact CZ-OE1 3.64Å; R424-E430 VanDerWaalsContact CZ-OE1 3.29Å; R424-E430 IonicContact NE-OE1 3.7Å; R424-E430 PolarHBondContact NE-OE1 2.73Å; R424-E430 IonicContact NH2-OE1 2.93Å; R424-E430 PolarHBondContact NH2-OE1 2.9Å; V427-E430 PolarHBondContact O-N 2.93Å; A428-E430 VanDerWaalsContact C-N 3.25Å; A428-E430 PolarHBondContact O-N 3.23Å
431F89.6Confident87Confident0 Ų065 Ų650%036%0.356CS..Hα-helixtrans-74-33.3177.3-60.1-78.1000112W373 I377 L388 L393 I409 V412 A428 S429 G433 Q434 L435W373-F431 HydrophobicContact CH2-CB 4.17Å; W373-F431 HydrophobicContact CH2-CD1 4.26Å; W373-F431 HydrophobicContact CH2-CG 4.27Å; W373-F431 HydrophobicContact CZ3-CB 4.45Å; W373-F431 AromaticContact CZ3-CD1 3.83Å; W373-F431 HydrophobicContact CZ3-CD1 3.83Å; W373-F431 HydrophobicContact CZ3-CE1 4.24Å; W373-F431 HydrophobicContact CZ3-CG 4.06Å; I377-F431 HydrophobicContact CD1-CZ 4.43Å; L388-F431 HydrophobicContact CD1-CD2 4.46Å; L388-F431 HydrophobicContact CD1-CE2 3.94Å; L393-F431 HydrophobicContact CD1-CB 3.9Å; L393-F431 HydrophobicContact CD2-CD2 4.12Å; L393-F431 HydrophobicContact CD2-CG 4.46Å; I409-F431 HydrophobicContact CG1-CD1 4.37Å; I409-F431 HydrophobicContact CG1-CE1 4.02Å; V412-F431 HydrophobicContact CB-CD1 4.07Å; V412-F431 HydrophobicContact CB-CE1 3.91Å; V412-F431 HydrophobicContact CG1-CD1 4.35Å; V412-F431 HydrophobicContact CG1-CE1 3.98Å; V412-F431 HydrophobicContact CG1-CZ 4.27Å; V412-F431 HydrophobicContact CG2-CD1 3.77Å; V412-F431 HydrophobicContact CG2-CE1 4.15Å; V412-F431 HydrophobicContact CG2-CG 4.4Å; A428-F431 PolarHBondContact O-N 3.26Å; S429-F431 VanDerWaalsContact C-N 3.31Å; S429-F431 PolarHBondContact O-N 3.48Å; F431-G433 VanDerWaalsContact C-N 3.31Å; F431-G433 PolarHBondContact O-N 3.35Å; F431-Q434 PolarHBondContact O-N 3.32Å; F431-Q434 VanDerWaalsContact O-N 3.1Å; F431-L435 WeakPolarHBondContact O-CG 3.47Å; F431-L435 PolarHBondContact O-N 3.46Å
432L88.2Confident87.3Confident75 Ų7569.3 Ų69.339%0.39337%0.371SS..Hα-helixtrans-59.7-42.5-179.5-17655.6000111.9V396 A428 S429 Q434 L435 V436V396-L432 HydrophobicContact CG1-CD1 3.47Å; V396-L432 VanDerWaalsContact CG1-CD1 3.47Å; A428-L432 PolarHBondContact O-N 2.94Å; S429-L432 PolarHBondContact O-N 2.86Å; L432-Q434 PolarHBondContact O-N 2.88Å; L432-Q434 VanDerWaalsContact O-N 3.16Å; L432-L435 PolarHBondContact O-N 3.46Å; L432-V436 HydrophobicContact CD1-CG2 4.13Å; L432-V436 HydrophobicContact CG-CG2 4.46Å; L432-V436 WeakPolarHBondContact O-CG2 3.25Å; L432-V436 PolarHBondContact O-N 2.91Å; L432-V436 VanDerWaalsContact O-N 3.07Å
433G87.1Confident87.5Confident44 Ų4472.4 Ų72.445%0.45437%0.366SS..Hα-helixtrans-61.3-24.3178.400000114.1F431F431-G433 VanDerWaalsContact C-N 3.31Å; F431-G433 PolarHBondContact O-N 3.35Å
434Q89.6Confident87.6Confident53 Ų5369.5 Ų69.525%0.24836%0.356CS..Hα-helixtrans-91.9-36.1176-57.7-65.1-3.900112A408 S411 V412 F431 L432 V436 K437A408-Q434 HydrophobicContact CB-CB 4.24Å; S411-Q434 WeakPolarHBondContact OG-CB 3.42Å; S411-Q434 WeakPolarHBondContact OG-CG 3.34Å; V412-Q434 HydrophobicContact CG2-CG 3.75Å; F431-Q434 PolarHBondContact O-N 3.32Å; F431-Q434 VanDerWaalsContact O-N 3.1Å; L432-Q434 PolarHBondContact O-N 2.88Å; L432-Q434 VanDerWaalsContact O-N 3.16Å; Q434-V436 VanDerWaalsContact C-N 3.32Å; Q434-V436 PolarHBondContact O-N 3.22Å; Q434-K437 PolarHBondContact O-N 2.78Å
435L89.7Confident87.8Confident0 Ų067 Ų670%035%0.35CS..Hα-helixtrans-60.7-41176.4-72.7171.6000111.9W373 L393 Y400 A408 F431 L432 K437 L438W373-L435 HydrophobicContact CH2-CD1 4.37Å; W373-L435 HydrophobicContact CZ2-CD1 4.24Å; L393-L435 HydrophobicContact CD1-CD1 4.43Å; Y400-L435 HydrophobicContact CD1-CD2 3.99Å; Y400-L435 HydrophobicContact CE1-CB 4.26Å; Y400-L435 HydrophobicContact CE1-CD2 4.27Å; Y400-L435 VanDerWaalsContact CE1-O 3.31Å; Y400-L435 WeakPolarHBondContact CE1-O 3.25Å; Y400-L435 HydrophobicContact CE2-CB 4.49Å; Y400-L435 HydrophobicContact CG-CD2 4.14Å; Y400-L435 PolarHBondContact OH-O 2.93Å; A408-L435 HydrophobicContact CB-CD2 3.8Å; A408-L435 HydrophobicContact CB-CG 4.09Å; F431-L435 WeakPolarHBondContact O-CG 3.47Å; F431-L435 PolarHBondContact O-N 3.46Å; L432-L435 PolarHBondContact O-N 3.46Å; L435-K437 PolarHBondContact O-N 3.35Å; L435-K437 VanDerWaalsContact O-N 3.13Å; L435-L438 WeakPolarHBondContact O-CB 3.42Å; L435-L438 PolarHBondContact O-N 2.99Å
436V90.4Very high87.8Confident106 Ų10665.1 Ų65.164%0.64234%0.336SS*.THydrogen-bonded Turntrans-60.1-24.5178.8172.40000113.1L432 Q434 L438L432-V436 HydrophobicContact CD1-CG2 4.13Å; L432-V436 HydrophobicContact CG-CG2 4.46Å; L432-V436 WeakPolarHBondContact O-CG2 3.25Å; L432-V436 PolarHBondContact O-N 2.91Å; L432-V436 VanDerWaalsContact O-N 3.07Å; Q434-V436 VanDerWaalsContact C-N 3.32Å; Q434-V436 PolarHBondContact O-N 3.22Å; V436-L438 VanDerWaalsContact C-N 3.29Å
437K91.1Very high88Confident146 Ų14668.7 Ų68.764%0.63535%0.353SS*.THydrogen-bonded Turntrans-79.5-13.2176.9-60.1177.3-172.8166.20113.2Q434 L435Q434-K437 PolarHBondContact O-N 2.78Å; L435-K437 PolarHBondContact O-N 3.35Å; L435-K437 VanDerWaalsContact O-N 3.13Å
438L89.8Confident88.2Confident25 Ų2567.6 Ų67.613%0.13135%0.347CS..SBendtrans-100.6139.4-177.9-56.8177.8000109.2Y400 H404 Q407 L435 V436 P440Y400-L438 HydrophobicContact CE1-CB 4.2Å; H404-L438 HydrophobicContact CB-CD1 3.82Å; H404-L438 WeakPolarHBondContact O-CD1 3.43Å; Q407-L438 HydrophobicContact CB-CD1 4.35Å; Q407-L438 HydrophobicContact CG-CD1 4.45Å; Q407-L438 HydrophobicContact CG-CD2 4.45Å; L435-L438 WeakPolarHBondContact O-CB 3.42Å; L435-L438 PolarHBondContact O-N 2.99Å; V436-L438 VanDerWaalsContact C-N 3.29Å; L438-P440 WeakPolarHBondContact O-CD 3.25Å
439D87.6Confident88.4Confident130 Ų13066.9 Ų66.970%0.69534%0.341SS*.PPolyproline II helixtrans-73120.9176.7-66-41.1000110.3H404H404-D439 PolarHBondContact CE1-O 3.4Å
440P88.7Confident88.5Confident39 Ų3966 Ų6625%0.25333%0.327SS..PPolyproline II helixtrans-69.4155.917429.6-34000110.7Y400 L438 Y442Y400-P440 HydrophobicContact CE1-CB 4.22Å; Y400-P440 HydrophobicContact CE2-CB 4.4Å; L438-P440 WeakPolarHBondContact O-CD 3.25Å; P440-Y442 PolarHBondContact O-N 3Å
441V87.7Confident88.6Confident14 Ų1468.7 Ų68.79%0.08534%0.343CS..  trans-79113171.61800000108P130 G399 T401P130-V441 HydrophobicContact CB-CG1 3.93Å; P130-V441 HydrophobicContact CB-CG2 3.98Å; G399-V441 PolarHBondContact O-N 3.28Å; T401-V441 HydrophobicContact CG2-CG2 3.41Å; T401-V441 VanDerWaalsContact CG2-CG2 3.41Å
442Y88.9Confident88.6Confident129 Ų12969.3 Ų69.351%0.50635%0.345SS..  trans-68.8152.3-179.7-64.7-81.5000112.1P440 E444 E445 E446P440-Y442 PolarHBondContact O-N 3Å; Y442-E444 VanDerWaalsContact C-N 3.29Å; Y442-E444 WeakPolarHBondContact CB-OE2 3.42Å; Y442-E444 PolarHBondContact O-N 3.36Å; Y442-E445 PolarHBondContact O-N 2.88Å; Y442-E446 PolarHBondContact O-N 3.05Å
443R87.1Confident88.6Confident173 Ų17367.1 Ų67.165%0.65333%0.332SS*.Hα-helixtrans-65.6-34.3-175.1-175.7175.3172.7164.3-1112E445 E446 E447R443-E445 VanDerWaalsContact C-N 3.35Å; R443-E445 PolarHBondContact O-N 2.8Å; R443-E446 WeakPolarHBondContact O-CB 3.02Å; R443-E446 PolarHBondContact O-N 2.73Å; R443-E447 HydrophobicContact CG-CG 4.42Å; R443-E447 IonicContact CZ-OE1 3.5Å; R443-E447 IonicContact NE-OE1 2.75Å; R443-E447 PolarHBondContact NE-OE1 3.06Å; R443-E447 IonicContact NH2-OE1 2.76Å; R443-E447 WeakPolarHBondContact O-CG 3.47Å; R443-E447 PolarHBondContact O-N 3.4Å
444E88.8Confident88.6Confident131 Ų13167.8 Ų67.861%0.61232%0.322SS*.Hα-helixtrans-65.1-39.3178.7-5877.7-169.700111.3Y442 E446 S448Y442-E444 VanDerWaalsContact C-N 3.29Å; Y442-E444 WeakPolarHBondContact CB-OE2 3.42Å; Y442-E444 PolarHBondContact O-N 3.36Å; E444-E446 VanDerWaalsContact C-N 3.28Å; E444-E446 PolarHBondContact O-N 2.98Å; E444-S448 VanDerWaalsContact O-CB 3.28Å; E444-S448 WeakPolarHBondContact O-CB 3.26Å; E444-S448 PolarHBondContact O-N 3.12Å; E444-S448 PolarHBondContact O-OG 3.4Å
445E87Confident88.5Confident87 Ų8771.6 Ų71.641%0.40734%0.338SS..Hα-helixtrans-64-37.6174.5-63.5-165160.200111.2Y442 R443 S448 L449Y442-E445 PolarHBondContact O-N 2.88Å; R443-E445 VanDerWaalsContact C-N 3.35Å; R443-E445 PolarHBondContact O-N 2.8Å; E445-S448 WeakPolarHBondContact CA-OG 3.37Å; E445-S448 PolarHBondContact O-OG 3.31Å; E445-L449 WeakPolarHBondContact O-CB 3.4Å; E445-L449 VanDerWaalsContact O-CG 3.27Å; E445-L449 WeakPolarHBondContact O-CG 3.34Å; E445-L449 PolarHBondContact O-N 3.35Å; E445-L449 VanDerWaalsContact O-N 3.14Å
446E84.6Confident88.4Confident17 Ų1771.6 Ų71.68%0.07934%0.338CS..Hα-helixtrans-70.4-45.7178.8-167.6-173.6159.800112.4R297 Y442 R443 E444 L449 K450R297-E446 IonicContact CZ-OE2 2.88Å; R297-E446 VanDerWaalsContact CZ-OE2 3.24Å; R297-E446 IonicContact NE-OE2 3.56Å; R297-E446 PolarHBondContact NE-OE2 2.94Å; R297-E446 IonicContact NH2-OE2 3.66Å; R297-E446 PolarHBondContact NH2-OE2 3.05Å; Y442-E446 PolarHBondContact O-N 3.05Å; R443-E446 WeakPolarHBondContact O-CB 3.02Å; R443-E446 PolarHBondContact O-N 2.73Å; E444-E446 VanDerWaalsContact C-N 3.28Å; E444-E446 PolarHBondContact O-N 2.98Å; E446-L449 WeakPolarHBondContact O-CB 3.44Å; E446-L449 PolarHBondContact O-N 3.18Å; E446-K450 WeakPolarHBondContact O-CG 3.14Å; E446-K450 PolarHBondContact O-N 3.19Å; E446-K450 WeakPolarHBondContact OE1-CE 3.2Å; E446-K450 IonicContact OE1-NZ 3.29Å; E446-K450 PolarHBondContact OE1-NZ 2.63Å
447E87.8Confident88.1Confident85 Ų8570 Ų7040%0.39733%0.33SS..Hα-helixtrans-63.7-43.4178.8-73.5177.6-176.300111R443 L449 K450 D451R443-E447 HydrophobicContact CG-CG 4.42Å; R443-E447 IonicContact CZ-OE1 3.5Å; R443-E447 IonicContact NE-OE1 2.75Å; R443-E447 PolarHBondContact NE-OE1 3.06Å; R443-E447 IonicContact NH2-OE1 2.76Å; R443-E447 WeakPolarHBondContact O-CG 3.47Å; R443-E447 PolarHBondContact O-N 3.4Å; E447-L449 VanDerWaalsContact C-N 3.29Å; E447-L449 PolarHBondContact O-N 3.13Å; E447-K450 WeakPolarHBondContact O-CB 3.45Å; E447-K450 PolarHBondContact O-N 2.82Å; E447-K450 VanDerWaalsContact O-N 3.14Å; E447-D451 WeakPolarHBondContact O-CB 3.5Å; E447-D451 PolarHBondContact O-N 3.35Å
448S89.8Confident87.5Confident35 Ų3565.4 Ų65.425%0.24531%0.312CS..Hα-helixtrans-64.4-31.9176.659.60000113Q278 E444 E445 W452Q278-S448 PolarHBondContact NE2-O 3.3Å; Q278-S448 PolarHBondContact NE2-OG 3.19Å; E444-S448 VanDerWaalsContact O-CB 3.28Å; E444-S448 WeakPolarHBondContact O-CB 3.26Å; E444-S448 PolarHBondContact O-N 3.12Å; E444-S448 PolarHBondContact O-OG 3.4Å; E445-S448 WeakPolarHBondContact CA-OG 3.37Å; E445-S448 PolarHBondContact O-OG 3.31Å; S448-W452 WeakPolarHBondContact O-CB 3.47Å; S448-W452 PolarHBondContact O-N 3.2Å; S448-W452 VanDerWaalsContact O-N 3.09Å
449L90.1Very high86.9Confident7 Ų764.2 Ų64.24%0.03731%0.306CS..Hα-helixtrans-67.6-44.3170.4-82.7174.1000112.6V128 P277 F294 E445 E446 E447 W452 Y453V128-L449 HydrophobicContact CG1-CD2 4.32Å; P277-L449 HydrophobicContact CG-CD2 3.6Å; F294-L449 HydrophobicContact CE2-CB 4.03Å; F294-L449 HydrophobicContact CZ-CB 4.31Å; E445-L449 WeakPolarHBondContact O-CB 3.4Å; E445-L449 VanDerWaalsContact O-CG 3.27Å; E445-L449 WeakPolarHBondContact O-CG 3.34Å; E445-L449 PolarHBondContact O-N 3.35Å; E445-L449 VanDerWaalsContact O-N 3.14Å; E446-L449 WeakPolarHBondContact O-CB 3.44Å; E446-L449 PolarHBondContact O-N 3.18Å; E447-L449 VanDerWaalsContact C-N 3.29Å; E447-L449 PolarHBondContact O-N 3.13Å; L449-W452 PolarHBondContact O-N 2.94Å; L449-Y453 PolarHBondContact O-N 2.97Å
450K87.7Confident86.5Confident56 Ų5664.3 Ų64.324%0.24330%0.3CS..Hα-helixtrans-61.8-49.8176.4-73173.2-177.4168.70110.7M92 F294 E446 E447 W452 Y453 F454M92-K450 HydrophobicContact CE-CG 4.03Å; F294-K450 HydrophobicContact CE1-CG 4.5Å; F294-K450 HydrophobicContact CZ-CG 4.07Å; E446-K450 WeakPolarHBondContact O-CG 3.14Å; E446-K450 PolarHBondContact O-N 3.19Å; E446-K450 WeakPolarHBondContact OE1-CE 3.2Å; E446-K450 IonicContact OE1-NZ 3.29Å; E446-K450 PolarHBondContact OE1-NZ 2.63Å; E447-K450 WeakPolarHBondContact O-CB 3.45Å; E447-K450 PolarHBondContact O-N 2.82Å; E447-K450 VanDerWaalsContact O-N 3.14Å; K450-W452 VanDerWaalsContact C-N 3.26Å; K450-W452 PolarHBondContact O-N 3.48Å; K450-Y453 WeakPolarHBondContact O-CB 3.02Å; K450-Y453 PolarHBondContact O-N 2.95Å; K450-F454 HydrophobicContact CB-CD2 4.49Å; K450-F454 HydrophobicContact CB-CE2 4.29Å; K450-F454 WeakPolarHBondContact O-CD2 3.46Å; K450-F454 PolarHBondContact O-N 3.06Å
451D89.3Confident86.1Confident90 Ų9069.4 Ų69.448%0.48132%0.318SS..Hα-helixtrans-56.6-42.1177.2-82.10.6000112.2E447 K455E447-D451 WeakPolarHBondContact O-CB 3.5Å; E447-D451 PolarHBondContact O-N 3.35Å; D451-K455 WeakPolarHBondContact O-CD 3.47Å; D451-K455 VanDerWaalsContact O-CG 3.23Å; D451-K455 WeakPolarHBondContact O-CG 3.33Å; D451-K455 PolarHBondContact O-N 2.9Å
452W90.1Very high85.4Confident14 Ų1470.9 Ų70.95%0.05333%0.329CS..Hα-helixtrans-61.9-46174.7178.795.8000111.3L126 V128 P277 Q278 M282 L285 I292 S448 L449 K450 F454 K455 T456L126-W452 HydrophobicContact CD2-CH2 4.47Å; V128-W452 HydrophobicContact CG1-CE3 4.36Å; V128-W452 HydrophobicContact CG1-CZ3 4Å; V128-W452 HydrophobicContact CG2-CH2 4.27Å; V128-W452 HydrophobicContact CG2-CZ3 3.99Å; P277-W452 HydrophobicContact CB-CD2 3.77Å; P277-W452 HydrophobicContact CB-CE3 3.96Å; P277-W452 HydrophobicContact CB-CG 4.47Å; P277-W452 HydrophobicContact CB-CH2 3.8Å; P277-W452 HydrophobicContact CB-CZ2 3.57Å; P277-W452 HydrophobicContact CB-CZ3 3.98Å; P277-W452 HydrophobicContact CG-CD2 3.65Å; P277-W452 HydrophobicContact CG-CE3 3.67Å; P277-W452 HydrophobicContact CG-CG 4.13Å; P277-W452 HydrophobicContact CG-CH2 4.38Å; P277-W452 HydrophobicContact CG-CZ2 4.35Å; P277-W452 HydrophobicContact CG-CZ3 4.05Å; P277-W452 PolarHBondContact O-NE1 2.85Å; P277-W452 VanDerWaalsContact O-NE1 3.1Å; Q278-W452 HydrophobicContact CG-CB 4.19Å; Q278-W452 HydrophobicContact CG-CG 4.37Å; M282-W452 HydrophobicContact CE-CD2 3.82Å; M282-W452 HydrophobicContact CE-CG 3.72Å; M282-W452 HydrophobicContact CE-CZ2 4.04Å; M282-W452 WeakPolarHBondContact CE-O 3.36Å; M282-W452 HydrophobicContact SD-CD2 4.34Å; M282-W452 HydrophobicContact SD-CH2 4.36Å; M282-W452 HydrophobicContact SD-CZ2 3.46Å; M282-W452 WeakPolarHBondContact SD-CZ2 3.47Å; L285-W452 HydrophobicContact CD2-CH2 4.04Å; L285-W452 HydrophobicContact CD2-CZ2 3.73Å; I292-W452 HydrophobicContact CD1-CH2 4.35Å; I292-W452 HydrophobicContact CG2-CH2 4.49Å; I292-W452 HydrophobicContact CG2-CZ3 4.35Å; S448-W452 WeakPolarHBondContact O-CB 3.47Å; S448-W452 PolarHBondContact O-N 3.2Å; S448-W452 VanDerWaalsContact O-N 3.09Å; L449-W452 PolarHBondContact O-N 2.94Å; K450-W452 VanDerWaalsContact C-N 3.26Å; K450-W452 PolarHBondContact O-N 3.48Å; W452-F454 PolarHBondContact O-N 3.31Å; W452-K455 WeakPolarHBondContact O-CB 3.08Å; W452-K455 PolarHBondContact O-N 2.72Å; W452-T456 HydrophobicContact CE3-CG2 4.2Å; W452-T456 HydrophobicContact CH2-CG2 3.86Å; W452-T456 HydrophobicContact CZ2-CG2 4.18Å; W452-T456 HydrophobicContact CZ3-CG2 3.87Å; W452-T456 PolarHBondContact O-N 3.41Å
453Y88.7Confident84.6Confident29 Ų2968.7 Ų68.711%0.11432%0.324CS..Hα-helixtrans-61.3-45.2-179.5179.1-106.4000112.1I292 F294 L449 K450 K455 T456I292-Y453 HydrophobicContact CG2-CD2 4.35Å; I292-Y453 HydrophobicContact CG2-CE2 4.28Å; F294-Y453 HydrophobicContact CB-CD1 4.39Å; F294-Y453 HydrophobicContact CB-CD2 3.7Å; F294-Y453 HydrophobicContact CB-CE1 4.38Å; F294-Y453 HydrophobicContact CB-CE2 3.69Å; F294-Y453 HydrophobicContact CB-CG 4.06Å; F294-Y453 HydrophobicContact CD2-CD2 4.13Å; F294-Y453 HydrophobicContact CD2-CG 4.01Å; F294-Y453 HydrophobicContact CG-CD1 4.48Å; F294-Y453 HydrophobicContact CG-CD2 4.2Å; F294-Y453 HydrophobicContact CG-CG 4.12Å; L449-Y453 PolarHBondContact O-N 2.97Å; K450-Y453 WeakPolarHBondContact O-CB 3.02Å; K450-Y453 PolarHBondContact O-N 2.95Å; Y453-K455 PolarHBondContact O-N 3.18Å; Y453-T456 VanDerWaalsContact O-CB 3.31Å; Y453-T456 WeakPolarHBondContact O-CB 3.31Å; Y453-T456 WeakPolarHBondContact O-CG2 3.25Å; Y453-T456 PolarHBondContact O-N 3.21Å; Y453-T456 PolarHBondContact O-OG1 3.36Å
454F86.3Confident83.9Confident58 Ų5867.1 Ų67.125%0.25432%0.322SS..Hα-helixtrans-66.1-25.7178-71.1-65.3000113.6L90 M92 K450 W452 T456 K460 M463L90-F454 HydrophobicContact CB-CE1 4.19Å; L90-F454 HydrophobicContact CB-CZ 4.34Å; L90-F454 HydrophobicContact CD2-CE1 3.53Å; L90-F454 HydrophobicContact CD2-CZ 4.1Å; L90-F454 HydrophobicContact CG-CE1 4.43Å; M92-F454 HydrophobicContact SD-CE2 4.16Å; M92-F454 HydrophobicContact SD-CZ 3.86Å; K450-F454 HydrophobicContact CB-CD2 4.49Å; K450-F454 HydrophobicContact CB-CE2 4.29Å; K450-F454 WeakPolarHBondContact O-CD2 3.46Å; K450-F454 PolarHBondContact O-N 3.06Å; W452-F454 PolarHBondContact O-N 3.31Å; F454-T456 VanDerWaalsContact C-N 3.28Å; F454-T456 PolarHBondContact O-N 3.11Å; F454-K460 WeakPolarHBondContact O-CG 3.3Å; F454-M463 HydrophobicContact CD1-CG 3.94Å; F454-M463 HydrophobicContact CD1-SD 3.9Å; F454-M463 HydrophobicContact CE1-CG 4.29Å; F454-M463 HydrophobicContact CE1-SD 3.72Å
455K87.9Confident83.2Confident132 Ų13266.6 Ų66.657%0.57432%0.32SS*.Hα-helixtrans-72.9-19.2173.1-72.2165-172.7165.40112.9M282 D451 W452 Y453 K460M282-K455 HydrophobicContact CE-CB 4.07Å; D451-K455 WeakPolarHBondContact O-CD 3.47Å; D451-K455 VanDerWaalsContact O-CG 3.23Å; D451-K455 WeakPolarHBondContact O-CG 3.33Å; D451-K455 PolarHBondContact O-N 2.9Å; W452-K455 WeakPolarHBondContact O-CB 3.08Å; W452-K455 PolarHBondContact O-N 2.72Å; Y453-K455 PolarHBondContact O-N 3.18Å; K455-K460 WeakPolarHBondContact O-CE 3.19Å
456T87.6Confident82.3Confident0 Ų065.5 Ų65.50%031%0.312CS..SBendtrans-66.5153.4178.870.10000111.7M282 I292 W452 Y453 F454 L458 G459 K460M282-T456 HydrophobicContact CE-CG2 4.15Å; M282-T456 HydrophobicContact SD-CG2 3.64Å; I292-T456 HydrophobicContact CD1-CG2 4.1Å; W452-T456 HydrophobicContact CE3-CG2 4.2Å; W452-T456 HydrophobicContact CH2-CG2 3.86Å; W452-T456 HydrophobicContact CZ2-CG2 4.18Å; W452-T456 HydrophobicContact CZ3-CG2 3.87Å; W452-T456 PolarHBondContact O-N 3.41Å; Y453-T456 VanDerWaalsContact O-CB 3.31Å; Y453-T456 WeakPolarHBondContact O-CB 3.31Å; Y453-T456 WeakPolarHBondContact O-CG2 3.25Å; Y453-T456 PolarHBondContact O-N 3.21Å; Y453-T456 PolarHBondContact O-OG1 3.36Å; F454-T456 VanDerWaalsContact C-N 3.28Å; F454-T456 PolarHBondContact O-N 3.11Å; T456-L458 PolarHBondContact O-N 3.12Å; T456-G459 PolarHBondContact O-N 3.07Å; T456-G459 PolarHBondContact OG1-N 3.03Å; T456-K460 WeakPolarHBondContact O-CG 3.17Å; T456-K460 PolarHBondContact O-N 3.4Å
457P83.3Confident81.6Confident72 Ų7269.6 Ų69.647%0.46833%0.332SS..Hα-helixtrans-57-34.8174.5-25.635000113.6K461P457-K461 WeakPolarHBondContact O-CB 3.44Å; P457-K461 VanDerWaalsContact O-CG 3.26Å; P457-K461 WeakPolarHBondContact O-CG 3.41Å; P457-K461 PolarHBondContact O-N 2.93Å
458L78.3Confident81.1Confident50 Ų5069.2 Ų69.226%0.26233%0.333SS..Hα-helixtrans-70.4-44.4176.4-70.4173.9000111.6I292 T456 K460 K461 S462I292-L458 HydrophobicContact CB-CD1 3.96Å; I292-L458 HydrophobicContact CD1-CD1 4.41Å; I292-L458 HydrophobicContact CG1-CD1 4.01Å; T456-L458 PolarHBondContact O-N 3.12Å; L458-K460 VanDerWaalsContact C-N 3.35Å; L458-K460 PolarHBondContact O-N 3.18Å; L458-K461 PolarHBondContact O-N 3.26Å; L458-S462 WeakPolarHBondContact O-CB 3.46Å; L458-S462 PolarHBondContact O-N 3.36Å
459G77.8Confident80.4Confident0 Ų071.9 Ų71.90%034%0.341CS..Hα-helixtrans-57.4-47.517400000111.7T456 K461 S462 M463T456-G459 PolarHBondContact O-N 3.07Å; T456-G459 PolarHBondContact OG1-N 3.03Å; G459-K461 PolarHBondContact O-N 2.91Å; G459-S462 WeakPolarHBondContact O-CB 3.3Å; G459-S462 PolarHBondContact O-N 2.69Å; G459-M463 WeakPolarHBondContact O-CG 3.45Å; G459-M463 PolarHBondContact O-N 3.26Å
460K80.4Confident79.6Confident132 Ų13273.1 Ų73.157%0.57435%0.348SS*.Hα-helixtrans-61.4-42.6176-68.6-177.3-179-172.60113.2F454 K455 T456 L458 S462 M463 K464F454-K460 WeakPolarHBondContact O-CG 3.3Å; K455-K460 WeakPolarHBondContact O-CE 3.19Å; T456-K460 WeakPolarHBondContact O-CG 3.17Å; T456-K460 PolarHBondContact O-N 3.4Å; L458-K460 VanDerWaalsContact C-N 3.35Å; L458-K460 PolarHBondContact O-N 3.18Å; K460-S462 VanDerWaalsContact C-N 3.35Å; K460-M463 PolarHBondContact O-N 3Å; K460-K464 WeakPolarHBondContact O-CB 3.49Å; K460-K464 PolarHBondContact O-N 3.27Å
461K78.5Confident79.2Confident146 Ų14675.9 Ų75.964%0.63536%0.362SS*.Hα-helixtrans-62.3-42.9175.1-78.1177.5-178.8-172.60111.5P457 L458 G459 M463 K464 H465P457-K461 WeakPolarHBondContact O-CB 3.44Å; P457-K461 VanDerWaalsContact O-CG 3.26Å; P457-K461 WeakPolarHBondContact O-CG 3.41Å; P457-K461 PolarHBondContact O-N 2.93Å; L458-K461 PolarHBondContact O-N 3.26Å; G459-K461 PolarHBondContact O-N 2.91Å; K461-M463 VanDerWaalsContact C-N 3.32Å; K461-M463 PolarHBondContact O-N 3.21Å; K461-K464 PolarHBondContact O-N 3.32Å; K461-H465 WeakPolarHBondContact O-CB 3.34Å; K461-H465 PolarHBondContact O-N 3.45Å
462S73.9Confident78.8Confident45 Ų4573.9 Ų73.932%0.31536%0.358SS..Hα-helixtrans-63.5-38.7177.3-171.20000112L458 G459 K460 R466L458-S462 WeakPolarHBondContact O-CB 3.46Å; L458-S462 PolarHBondContact O-N 3.36Å; G459-S462 WeakPolarHBondContact O-CB 3.3Å; G459-S462 PolarHBondContact O-N 2.69Å; K460-S462 VanDerWaalsContact C-N 3.35Å; S462-R466 WeakPolarHBondContact O-CB 3.41Å; S462-R466 PolarHBondContact O-N 3.11Å
463M71.4Confident78.3Confident83 Ų8378.7 Ų78.741%0.40938%0.381SS..Hα-helixtrans-66.3-47174.9-70.6-62.7-65.300111.4L90 F454 G459 K460 K461 R466 M467L90-M463 HydrophobicContact CB-SD 3.75Å; L90-M463 HydrophobicContact CD1-SD 3.75Å; L90-M463 HydrophobicContact CD2-SD 3.95Å; L90-M463 HydrophobicContact CG-SD 3.99Å; F454-M463 HydrophobicContact CD1-CG 3.94Å; F454-M463 HydrophobicContact CD1-SD 3.9Å; F454-M463 HydrophobicContact CE1-CG 4.29Å; F454-M463 HydrophobicContact CE1-SD 3.72Å; G459-M463 WeakPolarHBondContact O-CG 3.45Å; G459-M463 PolarHBondContact O-N 3.26Å; K460-M463 PolarHBondContact O-N 3Å; K461-M463 VanDerWaalsContact C-N 3.32Å; K461-M463 PolarHBondContact O-N 3.21Å; M463-R466 PolarHBondContact O-N 2.87Å; M463-M467 PolarHBondContact O-N 3.46Å
464K73.3Confident77.9Confident141 Ų14181.7 Ų81.761%0.61340%0.396SS*.Hα-helixtrans-60.7-53.1180-174.6-179.1177.7-177.70111.8K460 K461 R466 M467 D468K460-K464 WeakPolarHBondContact O-CB 3.49Å; K460-K464 PolarHBondContact O-N 3.27Å; K461-K464 PolarHBondContact O-N 3.32Å; K464-R466 PolarHBondContact O-N 3.2Å; K464-M467 PolarHBondContact O-N 3.14Å; K464-D468 PolarHBondContact O-N 3.27Å
465H72.9Confident77.7Confident119 Ų11981 Ų8155%0.55140%0.401SS*.Hα-helixtrans-57.7-35.3-179.5-174.6-84.4000112.4K461 Q469K461-H465 WeakPolarHBondContact O-CB 3.34Å; K461-H465 PolarHBondContact O-N 3.45Å; H465-Q469 PolarHBondContact CE1-NE2 3.24Å; H465-Q469 VanDerWaalsContact O-CG 3.3Å; H465-Q469 WeakPolarHBondContact O-CG 3.47Å; H465-Q469 PolarHBondContact O-N 3.4Å; H465-Q469 VanDerWaalsContact O-N 3.13Å
466R68.2Low77.5Confident65 Ų6581.6 Ų81.625%0.24540%0.404CS..Hα-helixtrans-73.3-39.8177.1-160.889.874.1117.52.6112L90 P91 S462 M463 K464 D468 Q469 L470L90-R466 HydrophobicContact CD1-CB 4.03Å; L90-R466 HydrophobicContact CD1-CG 4.1Å; P91-R466 VanDerWaalsContact CD-NH1 3.32Å; S462-R466 WeakPolarHBondContact O-CB 3.41Å; S462-R466 PolarHBondContact O-N 3.11Å; M463-R466 PolarHBondContact O-N 2.87Å; K464-R466 PolarHBondContact O-N 3.2Å; R466-D468 VanDerWaalsContact C-N 3.32Å; R466-Q469 WeakPolarHBondContact O-CB 3.36Å; R466-Q469 PolarHBondContact O-N 3.41Å; R466-L470 WeakPolarHBondContact O-CG 3.48Å; R466-L470 PolarHBondContact O-N 2.92Å
467M71.2Confident77.2Confident102 Ų10286.1 Ų86.150%0.50243%0.427SS..Hα-helixtrans-60.4-46.6175.3-165.368.898.800110.3M463 K464 Q469 L470 E471M463-M467 PolarHBondContact O-N 3.46Å; K464-M467 PolarHBondContact O-N 3.14Å; M467-Q469 PolarHBondContact O-N 3.25Å; M467-L470 PolarHBondContact O-N 2.77Å; M467-L470 VanDerWaalsContact O-N 3.12Å; M467-E471 WeakPolarHBondContact O-CG 3.4Å; M467-E471 PolarHBondContact O-N 2.95Å
468D76.5Confident77.2Confident77 Ų7786.8 Ų86.841%0.41243%0.427SS..Hα-helixtrans-58.2-36.7176-57.6-15.8000111.4K464 R466 A472K464-D468 PolarHBondContact O-N 3.27Å; R466-D468 VanDerWaalsContact C-N 3.32Å; D468-A472 WeakPolarHBondContact O-CB 3.45Å; D468-A472 PolarHBondContact O-N 3.05Å
469Q75.4Confident77.5Confident92 Ų9291.2 Ų91.243%0.4344%0.444SS..Hα-helixtrans-68-44.3174.9-77.6176.5-28.100113.1H465 R466 M467 A472 E473H465-Q469 PolarHBondContact CE1-NE2 3.24Å; H465-Q469 VanDerWaalsContact O-CG 3.3Å; H465-Q469 WeakPolarHBondContact O-CG 3.47Å; H465-Q469 PolarHBondContact O-N 3.4Å; H465-Q469 VanDerWaalsContact O-N 3.13Å; R466-Q469 WeakPolarHBondContact O-CB 3.36Å; R466-Q469 PolarHBondContact O-N 3.41Å; M467-Q469 PolarHBondContact O-N 3.25Å; Q469-A472 WeakPolarHBondContact O-CB 3.26Å; Q469-A472 PolarHBondContact O-N 2.92Å; Q469-E473 PolarHBondContact O-N 3.13Å
470L73.8Confident77.8Confident33 Ų3395.4 Ų95.417%0.17346%0.464CS..Hα-helixtrans-64.8-42.8178.2-70.9173000111.1R466 M467 A472 E473 E474R466-L470 WeakPolarHBondContact O-CG 3.48Å; R466-L470 PolarHBondContact O-N 2.92Å; M467-L470 PolarHBondContact O-N 2.77Å; M467-L470 VanDerWaalsContact O-N 3.12Å; L470-A472 VanDerWaalsContact C-N 3.28Å; L470-A472 PolarHBondContact O-N 2.81Å; L470-E473 PolarHBondContact O-N 3.37Å; L470-E474 WeakPolarHBondContact O-CG 3.45Å; L470-E474 PolarHBondContact O-N 3.25Å
471E78.3Confident77.8Confident113 Ų11395.3 Ų95.353%0.52846%0.463SS..Hα-helixtrans-60.7-39.1174.1-71.3175.8-173.200111.4M467 A475M467-E471 WeakPolarHBondContact O-CG 3.4Å; M467-E471 PolarHBondContact O-N 2.95Å; E471-A475 VanDerWaalsContact O-CB 3.26Å; E471-A475 WeakPolarHBondContact O-CB 3.49Å; E471-A475 PolarHBondContact O-N 2.94Å
472A80.8Confident77.9Confident48 Ų4896.2 Ų96.240%0.39747%0.467SS..Hα-helixtrans-67.5-36.3175.500000113.1D468 Q469 L470 K476D468-A472 WeakPolarHBondContact O-CB 3.45Å; D468-A472 PolarHBondContact O-N 3.05Å; Q469-A472 WeakPolarHBondContact O-CB 3.26Å; Q469-A472 PolarHBondContact O-N 2.92Å; L470-A472 VanDerWaalsContact C-N 3.28Å; L470-A472 PolarHBondContact O-N 2.81Å; A472-K476 VanDerWaalsContact O-CG 3.26Å; A472-K476 WeakPolarHBondContact O-CG 3.24Å; A472-K476 PolarHBondContact O-N 3.35Å
473E79.3Confident78Confident115 Ų115102.8 Ų102.854%0.53749%0.49SS..Hα-helixtrans-70.7-44.8175-76.2-177.3173.800112.1Q469 L470 A475 K476 L477Q469-E473 PolarHBondContact O-N 3.13Å; L470-E473 PolarHBondContact O-N 3.37Å; E473-A475 VanDerWaalsContact C-N 3.32Å; E473-A475 PolarHBondContact O-N 2.93Å; E473-K476 WeakPolarHBondContact O-CB 3.47Å; E473-K476 PolarHBondContact O-N 2.86Å; E473-K476 VanDerWaalsContact O-N 3.13Å; E473-L477 WeakPolarHBondContact O-CG 3.3Å; E473-L477 PolarHBondContact O-N 3.29Å
474E80.4Confident78Confident92 Ų92108.3 Ų108.343%0.4351%0.506SS..Hα-helixtrans-57.8-45.7173.4-74.4-178.9178.900110.1K88 L470 K476 L477 D478K88-E474 IonicContact NZ-OE1 2.92Å; K88-E474 PolarHBondContact NZ-OE1 3.44Å; L470-E474 WeakPolarHBondContact O-CG 3.45Å; L470-E474 PolarHBondContact O-N 3.25Å; E474-K476 VanDerWaalsContact C-N 3.32Å; E474-K476 PolarHBondContact O-N 2.77Å; E474-L477 PolarHBondContact O-N 2.9Å; E474-D478 PolarHBondContact O-N 3.12Å
475A82.8Confident77.4Confident44 Ų44112.9 Ų112.936%0.36453%0.526SS..Hα-helixtrans-64.1-32.4176.200000113.7E471 E473 K479E471-A475 VanDerWaalsContact O-CB 3.26Å; E471-A475 WeakPolarHBondContact O-CB 3.49Å; E471-A475 PolarHBondContact O-N 2.94Å; E473-A475 VanDerWaalsContact C-N 3.32Å; E473-A475 PolarHBondContact O-N 2.93Å; A475-K479 WeakPolarHBondContact O-CB 3.26Å; A475-K479 VanDerWaalsContact O-CG 3.24Å; A475-K479 WeakPolarHBondContact O-CG 3.46Å; A475-K479 PolarHBondContact O-N 3.14Å; A475-K479 VanDerWaalsContact O-N 3.12Å
476K83.6Confident77.6Confident145 Ų145112.6 Ų112.663%0.6353%0.525SS*.Hα-helixtrans-69.4-45.4173.8-78.5173.1-175.7-179.60111.2A472 E473 E474 D478 K479 E480A472-K476 VanDerWaalsContact O-CG 3.26Å; A472-K476 WeakPolarHBondContact O-CG 3.24Å; A472-K476 PolarHBondContact O-N 3.35Å; E473-K476 WeakPolarHBondContact O-CB 3.47Å; E473-K476 PolarHBondContact O-N 2.86Å; E473-K476 VanDerWaalsContact O-N 3.13Å; E474-K476 VanDerWaalsContact C-N 3.32Å; E474-K476 PolarHBondContact O-N 2.77Å; K476-D478 VanDerWaalsContact C-N 3.32Å; K476-D478 PolarHBondContact O-N 3.46Å; K476-K479 PolarHBondContact O-N 2.87Å; K476-E480 PolarHBondContact O-N 3.36Å
477L81Confident78.1Confident95 Ų95115.1 Ų115.150%0.49754%0.54SS..Hα-helixtrans-61.9-40.4177.4-74167.7000111.6E473 E474 E480 K481E473-L477 WeakPolarHBondContact O-CG 3.3Å; E473-L477 PolarHBondContact O-N 3.29Å; E474-L477 PolarHBondContact O-N 2.9Å; L477-E480 PolarHBondContact O-N 3.26Å; L477-K481 WeakPolarHBondContact O-CB 3.46Å; L477-K481 VanDerWaalsContact O-CG 3.3Å; L477-K481 WeakPolarHBondContact O-CG 3.46Å; L477-K481 PolarHBondContact O-N 3.26Å
478D84.4Confident78.5Confident86 Ų86115.8 Ų115.846%0.4654%0.542SS..Hα-helixtrans-68.3-37.1176.9-76.8-11.5000112.5E474 K476 K482E474-D478 PolarHBondContact O-N 3.12Å; K476-D478 VanDerWaalsContact C-N 3.32Å; K476-D478 PolarHBondContact O-N 3.46Å; D478-K482 WeakPolarHBondContact O-CB 3.41Å; D478-K482 VanDerWaalsContact O-CG 3.29Å; D478-K482 WeakPolarHBondContact O-CG 3.29Å; D478-K482 PolarHBondContact O-N 2.97Å
479K84.8Confident78.6Confident142 Ų142118.1 Ų118.162%0.61755%0.549SS*.Hα-helixtrans-65.5-38.3171.7-75.8172.8-176.8178.80111.9A475 K476 K482 K483A475-K479 WeakPolarHBondContact O-CB 3.26Å; A475-K479 VanDerWaalsContact O-CG 3.24Å; A475-K479 WeakPolarHBondContact O-CG 3.46Å; A475-K479 PolarHBondContact O-N 3.14Å; A475-K479 VanDerWaalsContact O-N 3.12Å; K476-K479 PolarHBondContact O-N 2.87Å; K479-K482 PolarHBondContact O-N 3.09Å; K479-K483 WeakPolarHBondContact O-CG 3.38Å; K479-K483 PolarHBondContact O-N 3.45Å; K479-K483 VanDerWaalsContact O-N 3.09Å
480E83.2Confident78.8Confident89 Ų89119.8 Ų119.842%0.41656%0.557SS.*Hα-helixtrans-69.7-41.8177.4-163-179.5163.500111.7K476 L477 K482 K483 R484K476-E480 PolarHBondContact O-N 3.36Å; L477-E480 PolarHBondContact O-N 3.26Å; E480-K482 VanDerWaalsContact C-N 3.32Å; E480-K482 PolarHBondContact O-N 3.23Å; E480-K483 PolarHBondContact O-N 3.39Å; E480-K483 VanDerWaalsContact O-N 3.13Å; E480-R484 WeakPolarHBondContact O-CG 3.44Å; E480-R484 PolarHBondContact O-N 3.13Å; E480-R484 VanDerWaalsContact O-N 3.09Å; E480-R484 IonicContact OE1-CZ 3.48Å; E480-R484 IonicContact OE1-NE 3.53Å; E480-R484 IonicContact OE1-NH2 2.77Å; E480-R484 PolarHBondContact OE1-NH2 3.09Å
481K80.6Confident79.1Confident129 Ų129125.5 Ų125.556%0.56158%0.582SS**Hα-helixtrans-61.3-38.7172.4-73.5172.8-175.9171.60112.4L477 K483 R484 K485L477-K481 WeakPolarHBondContact O-CB 3.46Å; L477-K481 VanDerWaalsContact O-CG 3.3Å; L477-K481 WeakPolarHBondContact O-CG 3.46Å; L477-K481 PolarHBondContact O-N 3.26Å; K481-K483 VanDerWaalsContact C-N 3.3Å; K481-R484 PolarHBondContact O-N 3.34Å; K481-K485 PolarHBondContact O-N 3.44Å
482K79.4Confident79.2Confident166 Ų166126.4 Ų126.472%0.72259%0.586SS**Hα-helixtrans-70.9-20.3174.7-77.2177.7-178.8178.90114.1D478 K479 E480D478-K482 WeakPolarHBondContact O-CB 3.41Å; D478-K482 VanDerWaalsContact O-CG 3.29Å; D478-K482 WeakPolarHBondContact O-CG 3.29Å; D478-K482 PolarHBondContact O-N 2.97Å; K479-K482 PolarHBondContact O-N 3.09Å; E480-K482 VanDerWaalsContact C-N 3.32Å; E480-K482 PolarHBondContact O-N 3.23Å
483K77.8Confident79.1Confident182 Ų182132.5 Ų132.579%0.79160%0.601SS**Hα-helixtrans-87.6-19.7173.5-78-179175.3-172.40113.3K479 E480 K481K479-K483 WeakPolarHBondContact O-CG 3.38Å; K479-K483 PolarHBondContact O-N 3.45Å; K479-K483 VanDerWaalsContact O-N 3.09Å; E480-K483 PolarHBondContact O-N 3.39Å; E480-K483 VanDerWaalsContact O-N 3.13Å; K481-K483 VanDerWaalsContact C-N 3.3Å
484R70.8Confident79.1Confident199 Ų199133.9 Ų133.975%0.75161%0.606SS**Hα-helixtrans-92.3-14.6177.5-70.5-177.2-176.4-160.95.1113.4E480 K481E480-R484 WeakPolarHBondContact O-CG 3.44Å; E480-R484 PolarHBondContact O-N 3.13Å; E480-R484 VanDerWaalsContact O-N 3.09Å; E480-R484 IonicContact OE1-CZ 3.48Å; E480-R484 IonicContact OE1-NE 3.53Å; E480-R484 IonicContact OE1-NH2 2.77Å; E480-R484 PolarHBondContact OE1-NH2 3.09Å; K481-R484 PolarHBondContact O-N 3.34Å
485K60.1Low78.9Confident238 Ų238137.7 Ų137.7100%1.03562%0.622SS**  trans-93.50164-74.8-174.2174.1-173.30108.4K481K481-K485 PolarHBondContact O-N 3.44Å

Retrieved 485 of 485 residues in 146 ms (Link to these results)