A0A3Q0KPD6_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 202 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low41.6Very low237 Ų237160.2 Ų160.2100%1.16781%0.814SS**  096.10-77.1156.972.800109
2W38.4Very low42.1Very low213 Ų213153.4 Ų153.481%0.80778%0.78SS**  trans-118.199.6169.2-76.976000107.4Y4W2-Y4 HydrophobicContact CB-CD2 4.4Å; W2-Y4 HydrophobicContact CB-CE2 3.92Å; W2-Y4 HydrophobicContact CE3-CE2 4.49Å; W2-Y4 PolarHBondContact O-N 3.44Å
3S35.7Very low42.1Very low127 Ų127151.7 Ų151.789%0.88877%0.774SS**  trans-83100.8175.4-165.70000108.1G5S3-G5 PolarHBondContact O-N 3.32Å
4Y44.4Very low42.1Very low187 Ų187146.1 Ų146.173%0.73376%0.756SS**  trans-83.398.1170.3-72.9-77.9000108.5W2 T6W2-Y4 HydrophobicContact CB-CD2 4.4Å; W2-Y4 HydrophobicContact CB-CE2 3.92Å; W2-Y4 HydrophobicContact CE3-CE2 4.49Å; W2-Y4 PolarHBondContact O-N 3.44Å; Y4-T6 PolarHBondContact O-N 3.13Å
5G43.4Very low42.2Very low64 Ų64139.7 Ų139.766%0.6673%0.725SS**  trans-58.5127.6171.500000111.4S3 K7S3-G5 PolarHBondContact O-N 3.32Å; G5-K7 PolarHBondContact O-N 3.25Å
6T44.7Very low42.2Very low133 Ų133136.6 Ų136.682%0.81672%0.719SS**  trans-64.296.9173.5420000110.3Y4 V8Y4-T6 PolarHBondContact O-N 3.13Å; T6-V8 PolarHBondContact O-N 2.96Å; T6-V8 VanDerWaalsContact O-N 3.13Å
7K49.3Very low42.1Very low211 Ų211134.9 Ų134.992%0.91772%0.722SS**  trans-79.894.7164.6-80-175-178.5175.40109.1G5G5-K7 PolarHBondContact O-N 3.25Å
8V45.1Very low42.1Very low124 Ų124131.6 Ų131.675%0.75270%0.701SS**  trans-33.5130.4166175.60000112.3T6 K10T6-V8 PolarHBondContact O-N 2.96Å; T6-V8 VanDerWaalsContact O-N 3.13Å; V8-K10 PolarHBondContact O-N 3.17Å
9F36.5Very low41.9Very low204 Ų204127.3 Ų127.390%0.89568%0.683SS**  trans-45.4107.7167.1-101.7-103.1000109.9S11F9-S11 PolarHBondContact O-N 3.36Å
10K44.4Very low41.7Very low194 Ų194128.9 Ų128.984%0.84369%0.69SS**  trans-73.9124.7165-84.8-174.7173.9-174.50108.3V8 I12V8-K10 PolarHBondContact O-N 3.17Å; K10-I12 PolarHBondContact O-N 3.45Å
11S39.4Very low41.7Very low68 Ų68125.5 Ų125.548%0.47668%0.68SS.*  trans-55.8131.2176.5178.90000111.2F9 D13 S14F9-S11 PolarHBondContact O-N 3.36Å; S11-D13 PolarHBondContact O-N 3.17Å; S11-D13 PolarHBondContact OG-N 3.32Å; S11-D13 PolarHBondContact OG-OD2 3.5Å; S11-S14 PolarHBondContact O-OG 3.49Å
12I47.5Very low41.7Very low79 Ų79119.7 Ų119.741%0.40565%0.646SS.*G310 helixtrans-66.6-12.9177.3-67.6165.7000111.3K10 S14 V15 Y164K10-I12 PolarHBondContact O-N 3.45Å; I12-S14 PolarHBondContact O-N 3.03Å; I12-V15 WeakPolarHBondContact O-CB 3.41Å; I12-V15 WeakPolarHBondContact O-CG2 3.47Å; I12-V15 PolarHBondContact O-N 3.49Å; I12-V15 VanDerWaalsContact O-N 3.14Å; I12-Y164 HydrophobicContact CD1-CE1 4.36Å
13D42.3Very low41.6Very low131 Ų131112.4 Ų112.470%0.70164%0.637SS**G310 helixtrans-68.3-7.3-177.7-51.6-32000113.5S11S11-D13 PolarHBondContact O-N 3.17Å; S11-D13 PolarHBondContact OG-N 3.32Å; S11-D13 PolarHBondContact OG-OD2 3.5Å
14S42.1Very low41.8Very low74 Ų74113.9 Ų113.952%0.51764%0.635SS.*G310 helixtrans-91.51.8174.764.60000115.1S11 I12 Q18S11-S14 PolarHBondContact O-OG 3.49Å; I12-S14 PolarHBondContact O-N 3.03Å; S14-Q18 PolarHBondContact O-NE2 3.41Å
15V44Very low41.6Very low49 Ų49113.6 Ų113.630%0.29764%0.638SS.*  trans-89.5-15.9-170.9-178.50000113.1I12 S17 Q18I12-V15 WeakPolarHBondContact O-CB 3.41Å; I12-V15 WeakPolarHBondContact O-CG2 3.47Å; I12-V15 PolarHBondContact O-N 3.49Å; I12-V15 VanDerWaalsContact O-N 3.14Å; V15-S17 VanDerWaalsContact C-N 3.27Å; V15-S17 PolarHBondContact O-N 2.93Å; V15-Q18 WeakPolarHBondContact O-CB 3.39Å; V15-Q18 PolarHBondContact O-N 2.96Å
16S42.3Very low41.4Very low90 Ų90114.7 Ų114.763%0.62962%0.624SS**G310 helixtrans-60-32.5-178.5-168.20000113.6
17S40.4Very low41.3Very low109 Ų109115 Ų11576%0.76262%0.62SS**G310 helixtrans-82.6-8175.7-48.30000114.4V15V15-S17 VanDerWaalsContact C-N 3.27Å; V15-S17 PolarHBondContact O-N 2.93Å
18Q41.9Very low40.9Very low74 Ų74110.4 Ų110.435%0.34661%0.611SS.*G310 helixtrans-88.6-8.8-174.6-65.5-179.742.500113.8S14 V15 L20 A21 Y22S14-Q18 PolarHBondContact O-NE2 3.41Å; V15-Q18 WeakPolarHBondContact O-CB 3.39Å; V15-Q18 PolarHBondContact O-N 2.96Å; Q18-L20 PolarHBondContact O-N 3.04Å; Q18-A21 WeakPolarHBondContact O-CB 3.49Å; Q18-A21 PolarHBondContact O-N 3.04Å; Q18-Y22 HydrophobicContact CB-CE2 3.93Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.38Å; Q18-Y22 WeakPolarHBondContact O-CE2 3.48Å
19S36.9Very low40.9Very low51 Ų51106.7 Ų106.736%0.35759%0.586SS.*THydrogen-bonded Turntrans-58-31.6178.762.20000113
20L39.3Very low41.1Very low158 Ų158100.2 Ų100.283%0.82758%0.577SS**THydrogen-bonded Turntrans-77.4-18.5172.7-82.1164.6000114.3Q18Q18-L20 PolarHBondContact O-N 3.04Å
21A40.4Very low40.9Very low59 Ų5994 Ų9449%0.48855%0.549SS..THydrogen-bonded Turntrans-84-15.3-177.500000113.6Q18Q18-A21 WeakPolarHBondContact O-CB 3.49Å; Q18-A21 PolarHBondContact O-N 3.04Å
22Y37Very low40.7Very low115 Ų11597.2 Ų97.245%0.45156%0.556SS.*G310 helixtrans-77.3-21.2-177-72.9-76.2000114.2Q18 N24 K25Q18-Y22 HydrophobicContact CB-CE2 3.93Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.38Å; Q18-Y22 WeakPolarHBondContact O-CE2 3.48Å; Y22-N24 PolarHBondContact O-N 3.39Å; Y22-K25 PolarHBondContact O-N 3.34Å
23G36.8Very low40.4Very low60 Ų60103 Ų10362%0.61958%0.578SS**G310 helixtrans-63-28.8174.400000113.6
24N39.6Very low40.6Very low158 Ų158104.6 Ų104.685%0.84558%0.581SS**G310 helixtrans-91.9-0.4-175-77.8-19.5000114.7Y22Y22-N24 PolarHBondContact O-N 3.39Å
25K39.6Very low40.4Very low181 Ų181104.7 Ų104.779%0.78758%0.575SS**G310 helixtrans-113.89.1-179.5-127.4174.9-169.3173.50114.4Y22 I27Y22-K25 PolarHBondContact O-N 3.34Å; K25-I27 VanDerWaalsContact C-N 3.33Å; K25-I27 PolarHBondContact O-N 3.38Å
26F39.8Very low40.3Very low87 Ų87105.8 Ų105.838%0.38259%0.586SS.*  trans-71.593.9166.8-112.1-96.9000108.5Y101 L104 Q150F26-Y101 HydrophobicContact CZ-CD2 4.25Å; F26-Y101 HydrophobicContact CZ-CE2 4.44Å; F26-L104 HydrophobicContact CD2-CD1 4.12Å; F26-L104 HydrophobicContact CE2-CD1 3.83Å; F26-L104 HydrophobicContact CZ-CB 4.41Å; F26-L104 HydrophobicContact CZ-CD1 4.16Å; F26-Q150 VanDerWaalsContact CE1-NE2 3.31Å
27I42.9Very low40.4Very low140 Ų140111 Ų11172%0.71860%0.597SS**  trans-48.3126.4169.9-62171.2000106.9K25 M29K25-I27 VanDerWaalsContact C-N 3.33Å; K25-I27 PolarHBondContact O-N 3.38Å; I27-M29 PolarHBondContact O-N 3.42Å; I27-M29 VanDerWaalsContact O-N 3.1Å
28P41.3Very low40.4Very low114 Ų114110 Ų11074%0.7458%0.582SS**  trans-52125.1-179.519.8-30.3000108.1G30P28-G30 PolarHBondContact O-N 2.95Å
29M45.1Very low40.1Very low46 Ų46112.7 Ų112.723%0.22761%0.609CS.*  trans-35.8126.7-179.8-68.9-94.7-65.900109.6I27 Y31 S108 F143I27-M29 PolarHBondContact O-N 3.42Å; I27-M29 VanDerWaalsContact O-N 3.1Å; M29-Y31 HydrophobicContact CE-CD2 4.2Å; M29-Y31 PolarHBondContact O-N 3.41Å; M29-S108 VanDerWaalsContact CE-OG 3.24Å; M29-S108 WeakPolarHBondContact CE-OG 3.35Å; M29-S108 PolarHBondContact SD-OG 2.84Å; M29-S108 VanDerWaalsContact SD-OG 3.36Å; M29-F143 HydrophobicContact CE-CE2 3.93Å; M29-F143 HydrophobicContact CE-CZ 4.26Å
30G40.9Very low40.6Very low68 Ų68114.3 Ų114.370%0.70162%0.617SS**THydrogen-bonded Turntrans-62.318.6179.100000115.3P28 H32P28-G30 PolarHBondContact O-N 2.95Å; G30-H32 VanDerWaalsContact C-N 3.26Å
31Y39.1Very low40.6Very low64 Ų64113.9 Ų113.925%0.25161%0.61SS.*THydrogen-bonded Turntrans-84.510.9172.2-93.9-75.2000114.5M29 K33 E142 F143 A146M29-Y31 HydrophobicContact CE-CD2 4.2Å; M29-Y31 PolarHBondContact O-N 3.41Å; Y31-K33 PolarHBondContact O-N 2.92Å; Y31-E142 PolarHBondContact OH-O 3.47Å; Y31-F143 AromaticContact CE2-CD2 3.9Å; Y31-F143 HydrophobicContact CE2-CD2 3.9Å; Y31-F143 HydrophobicContact CE2-CE2 4.38Å; Y31-F143 WeakPolarHBondContact OH-CA 3.33Å; Y31-F143 PolarHBondContact OH-N 3.33Å; Y31-A146 HydrophobicContact CD2-CB 4.03Å; Y31-A146 HydrophobicContact CE1-CB 4.28Å; Y31-A146 HydrophobicContact CE2-CB 3.25Å; Y31-A146 WeakPolarHBondContact OH-CB 3.32Å
32H36.4Very low40.3Very low135 Ų135117.4 Ų117.463%0.62563%0.626SS**THydrogen-bonded Turntrans-10067178.2-159.6-85.8000111.3G30 S36G30-H32 VanDerWaalsContact C-N 3.26Å; H32-S36 WeakPolarHBondContact CE1-CB 3.4Å; H32-S36 WeakPolarHBondContact NE2-CB 3.05Å
33K40.6Very low40.5Very low199 Ų199119.8 Ų119.887%0.86564%0.639SS**THydrogen-bonded Turntrans-133.32.2163.2-128.4179.6-176.6-174.10115.7Y31Y31-K33 PolarHBondContact O-N 2.92Å
34Q45.8Very low40.3Very low166 Ų166125.6 Ų125.678%0.77665%0.65SS**THydrogen-bonded Turntrans-142.8-12.8169-70.1-165.226.500116.1
35L39.3Very low40.3Very low75 Ų75123.8 Ų123.839%0.39365%0.649SS.*  trans-107.310.8-170.7-66.5173.2000115.3K37 A115L35-K37 PolarHBondContact O-N 2.92Å; L35-A115 HydrophobicContact CD1-CB 4.24Å
36S40.4Very low40.3Very low73 Ų73123.9 Ų123.951%0.5165%0.653SS.*THydrogen-bonded Turntrans-73.517.8-174.972.20000116.1H32H32-S36 WeakPolarHBondContact CE1-CB 3.4Å; H32-S36 WeakPolarHBondContact NE2-CB 3.05Å
37K45.3Very low40.1Very low199 Ų199127 Ų12787%0.86567%0.674SS**THydrogen-bonded Turntrans-124.86.5-174.9-77.2-173.8178.1-179.50114.5L35L35-K37 PolarHBondContact O-N 2.92Å
38I40.9Very low39.7Very low88 Ų88125 Ų12545%0.45167%0.672SS.*  trans-118.8100.2-176.6-43.6-179.3000109.6V40I38-V40 HydrophobicContact CB-CG2 4.23Å; I38-V40 HydrophobicContact CG2-CG2 3.3Å; I38-V40 PolarHBondContact O-N 3.39Å
39S35.9Very low39.8Very low130 Ų130129.8 Ų129.891%0.90968%0.681SS**  trans-66.8109.7156-91.20000107.2
40V47.1Very low39.5Very low86 Ų86136.3 Ų136.352%0.52171%0.708SS.*  trans-108.9108.2170.7-176.50000108.4I38I38-V40 HydrophobicContact CB-CG2 4.23Å; I38-V40 HydrophobicContact CG2-CG2 3.3Å; I38-V40 PolarHBondContact O-N 3.39Å
41E37.9Very low39.6Very low148 Ų148140.5 Ų140.569%0.69271%0.714SS**  trans-53.5128.1166.1-133.8178.7-176.100109.7K43E41-K43 PolarHBondContact O-N 2.97Å; E41-K43 VanDerWaalsContact OE2-CE 3.25Å; E41-K43 WeakPolarHBondContact OE2-CE 3.46Å; E41-K43 IonicContact OE2-NZ 3.13Å
42T34.7Very low40Very low134 Ų134145.4 Ų145.482%0.82274%0.744SS**  trans-74.696.7173.5-56.90000107.9
43K40.5Very low40.4Very low165 Ų165143 Ų14372%0.71774%0.74SS**  trans-94.2105.2165-67.7-170.6-179.8179.60108.2E41 S45E41-K43 PolarHBondContact O-N 2.97Å; E41-K43 VanDerWaalsContact OE2-CE 3.25Å; E41-K43 WeakPolarHBondContact OE2-CE 3.46Å; E41-K43 IonicContact OE2-NZ 3.13Å; K43-S45 PolarHBondContact O-N 3.33Å
44E34.1Very low40.3Very low182 Ų182139.6 Ų139.685%0.8574%0.738SS**  trans-59.7102.6161.3-74.2-179.9147.400107.8Q46E44-Q46 PolarHBondContact O-N 3Å
45S39.7Very low39.9Very low119 Ų119141.6 Ų141.683%0.83274%0.739SS**  trans-86.392.5164.772.30000108K43K43-S45 PolarHBondContact O-N 3.33Å
46Q39.3Very low39.9Very low184 Ų184144 Ų14486%0.8676%0.759SS**  trans-64.7137.7147.4-67.4-157.5-34.800107.9E44E44-Q46 PolarHBondContact O-N 3Å
47D35.2Very low40Very low153 Ų153145.4 Ų145.482%0.81877%0.768SS**  trans131.8133.3143.3-148.65.9000116.2
48S34.7Very low39.7Very low97 Ų97144.5 Ų144.568%0.67877%0.766SS**  trans73.486.9162.777.80000120.5
49K42.5Very low40Very low214 Ų214144.1 Ų144.193%0.9377%0.765SS**  trans-138.397.6133.8-114.6177.5-173.4176.60109.2
50K39.6Very low40.6Very low184 Ų184143.2 Ų143.280%0.876%0.756SS**  trans-64.5147.9166.6-67.1172.8178.7175.20108.5
51D41.9Very low40.6Very low155 Ų155146.4 Ų146.483%0.82976%0.76SS**  trans84.877.1167-44.2-30.4000117.8
52L48.7Very low40.9Very low168 Ų168143 Ų14388%0.8875%0.753SS**  trans-136.1136.7156.3-84.1165.9000110.1
53P44.2Very low41.4Very low84 Ų84144.6 Ų144.655%0.54575%0.748SS.*  trans-68152.6-175.328.2-33.7000111.9W55P53-W55 PolarHBondContact O-N 3.16Å
54P38.8Very low42Very low127 Ų127146.2 Ų146.283%0.82576%0.758SS**  trans-76.694.9-173.730.8-31.5000109.8P56P54-P56 VanDerWaalsContact O-CD 3.31Å; P54-P56 WeakPolarHBondContact O-CD 3.46Å
55W36.6Very low43.4Very low208 Ų208141 Ų14179%0.78873%0.734SS**  trans-77116.2160.7-66.196.1000108.1P53 C57P53-W55 PolarHBondContact O-N 3.16Å; W55-C57 PolarHBondContact O-N 3.24Å
56P39.7Very low45.2Very low126 Ų126138.8 Ų138.882%0.81872%0.719SS**  trans-78.777.3174.332.5-30.3000108.4P54P54-P56 VanDerWaalsContact O-CD 3.31Å; P54-P56 WeakPolarHBondContact O-CD 3.46Å
57C42.6Very low47.2Very low102 Ų102130.2 Ų130.269%0.68968%0.679SS**  trans-106.254.5170.8-65.90000109.7W55 N59W55-C57 PolarHBondContact O-N 3.24Å; C57-N59 PolarHBondContact O-N 3.48Å
58H39.1Very low49.5Very low180 Ų180129.3 Ų129.383%0.83367%0.674SS**  trans-68.475.5155.2-101.4-69.8000107.6P60H58-P60 WeakPolarHBondContact O-CD 3.28Å
59N48.4Very low51.8Low81 Ų81126.4 Ų126.443%0.43365%0.651SS.*  trans-70122.4164-174.41.4000106.9C57 Y61 S62C57-N59 PolarHBondContact O-N 3.48Å; N59-Y61 PolarHBondContact O-N 3.19Å; N59-Y61 WeakPolarHBondContact OD1-CD2 3.37Å; N59-Y61 PolarHBondContact OD1-N 3.08Å; N59-S62 WeakPolarHBondContact O-CB 3.24Å; N59-S62 PolarHBondContact O-N 3.36Å; N59-S62 PolarHBondContact O-OG 3.36Å
60P47.8Very low53.8Low110 Ų110123 Ų12371%0.71464%0.638SS**THydrogen-bonded Turntrans-60.4-2.3178.3-20.331.7000114.3H58H58-P60 WeakPolarHBondContact O-CD 3.28Å
61Y47.7Very low55.7Low154 Ų154116.7 Ų116.760%0.60462%0.615SS**THydrogen-bonded Turntrans-96.113.4173.5-59.1-68.6000114.2N59 F63N59-Y61 PolarHBondContact O-N 3.19Å; N59-Y61 WeakPolarHBondContact OD1-CD2 3.37Å; N59-Y61 PolarHBondContact OD1-N 3.08Å; Y61-F63 PolarHBondContact O-N 3.44Å; Y61-F63 VanDerWaalsContact O-N 3.15Å
62S43.2Very low57.4Low77 Ų77113.8 Ų113.854%0.53860%0.599SS.*  trans-79.620.4-177.268.10000116N59 Q64N59-S62 WeakPolarHBondContact O-CB 3.24Å; N59-S62 PolarHBondContact O-N 3.36Å; N59-S62 PolarHBondContact O-OG 3.36Å; S62-Q64 PolarHBondContact O-N 2.85Å; S62-Q64 VanDerWaalsContact O-N 3.12Å
63F44.3Very low59Low166 Ų166114.8 Ų114.873%0.72860%0.597SS**SBendtrans-69.9109.1158.9-68.5-79.5000106.5Y61 H65Y61-F63 PolarHBondContact O-N 3.44Å; Y61-F63 VanDerWaalsContact O-N 3.15Å; F63-H65 VanDerWaalsContact C-N 3.25Å; F63-H65 PolarHBondContact O-CD2 3.42Å; F63-H65 VanDerWaalsContact O-CD2 3.26Å; F63-H65 PolarHBondContact O-N 3.32Å
64Q54.5Low60.9Low199 Ų199113.8 Ų113.893%0.9358%0.584SS**  trans-55.887-178.6-68.3-161.7-28.400110.9S62 S66S62-Q64 PolarHBondContact O-N 2.85Å; S62-Q64 VanDerWaalsContact O-N 3.12Å; Q64-S66 PolarHBondContact O-N 2.94Å; Q64-S66 VanDerWaalsContact O-N 3.12Å
65H62.6Low63.1Low73 Ų73117.2 Ų117.234%0.33859%0.586SS.*  trans-71.7110.1171.5-67.2-60.7000106.4F63 S67 N68 P71F63-H65 VanDerWaalsContact C-N 3.25Å; F63-H65 PolarHBondContact O-CD2 3.42Å; F63-H65 VanDerWaalsContact O-CD2 3.26Å; F63-H65 PolarHBondContact O-N 3.32Å; H65-S67 PolarHBondContact O-N 3.28Å; H65-N68 PolarHBondContact O-N 2.9Å; H65-P71 WeakPolarHBondContact NE2-CG 3.34Å
66S78.7Confident65.3Low73 Ų73110.8 Ų110.851%0.5157%0.573SS.*THydrogen-bonded Turntrans-51-21.9175.844.90000113.2Q64 S103 N106Q64-S66 PolarHBondContact O-N 2.94Å; Q64-S66 VanDerWaalsContact O-N 3.12Å; S66-S103 WeakPolarHBondContact OG-CB 3.39Å; S66-S103 PolarHBondContact OG-OG 2.72Å; S66-N106 WeakPolarHBondContact O-CB 3.45Å; S66-N106 PolarHBondContact O-ND2 2.93Å
67S80.7Confident67.4Low3 Ų3110 Ų1102%0.02156%0.556CS.*THydrogen-bonded Turntrans-80.6-18.6177.258.70000115.8H65 I69 N99 S103 N106H65-S67 PolarHBondContact O-N 3.28Å; S67-I69 PolarHBondContact O-N 3.45Å; S67-I69 PolarHBondContact OG-N 2.86Å; S67-N99 VanDerWaalsContact CB-O 3.32Å; S67-N99 WeakPolarHBondContact CB-O 3.45Å; S67-N99 VanDerWaalsContact CB-OD1 3.31Å; S67-N99 WeakPolarHBondContact CB-OD1 3.42Å; S67-N99 PolarHBondContact OG-OD1 3.43Å; S67-S103 WeakPolarHBondContact CB-OG 3.45Å; S67-S103 PolarHBondContact N-OG 3.37Å; S67-N106 VanDerWaalsContact C-ND2 3.26Å; S67-N106 PolarHBondContact O-ND2 3.32Å; S67-N106 VanDerWaalsContact O-ND2 3.15Å
68N82.6Confident69.2Low135 Ų135111.3 Ų111.372%0.72256%0.563SS**  trans57.220.4-167-58.1-36.1000114.9H65 N106H65-N68 PolarHBondContact O-N 2.9Å; N68-N106 PolarHBondContact ND2-ND2 2.93Å
69I84.2Confident71.4Confident36 Ų36109.8 Ų109.819%0.18556%0.562CS.*PPolyproline II helixtrans-101.9137.2178.7-65.7170000110.4S67 W95 L98 W102S67-I69 PolarHBondContact O-N 3.45Å; S67-I69 PolarHBondContact OG-N 2.86Å; I69-W95 HydrophobicContact CG2-CZ2 4.17Å; I69-L98 HydrophobicContact CD1-CD2 4.02Å; I69-L98 HydrophobicContact CD1-CG 3.73Å; I69-W102 HydrophobicContact CD1-CB 3.8Å; I69-W102 HydrophobicContact CD1-CG 3.71Å
70H82.8Confident73.2Confident142 Ų142107.9 Ų107.966%0.65755%0.55SS**PPolyproline II helixtrans-67.2129.5175.6-73.1-79000112.3L72 W95H70-L72 PolarHBondContact O-N 2.92Å; H70-W95 VanDerWaalsContact O-CZ2 3.26Å; H70-W95 WeakPolarHBondContact O-CZ2 3.13Å
71P79.9Confident75.3Confident51 Ų51105.2 Ų105.233%0.33153%0.532SS..PPolyproline II helixtrans-54.4118.9173.2-28.436.7000113.1H65 W95H65-P71 WeakPolarHBondContact NE2-CG 3.34Å; P71-W95 HydrophobicContact CB-CH2 4.34Å
72L78.3Confident77.4Confident95 Ų95103.6 Ų103.650%0.49754%0.538SS..PPolyproline II helixtrans-92.3118.6175.3-174.358.6000110.4H70 F74 W95H70-L72 PolarHBondContact O-N 2.92Å; L72-F74 HydrophobicContact CB-CE2 4.3Å; L72-F74 HydrophobicContact CD2-CE1 3.78Å; L72-F74 HydrophobicContact CD2-CE2 3.83Å; L72-F74 HydrophobicContact CD2-CZ 3.3Å; L72-F74 HydrophobicContact CG-CD2 4.4Å; L72-F74 HydrophobicContact CG-CE1 4.28Å; L72-F74 HydrophobicContact CG-CE2 3.9Å; L72-F74 HydrophobicContact CG-CZ 3.85Å; L72-W95 HydrophobicContact CB-CD2 4.07Å; L72-W95 HydrophobicContact CB-CG 4.01Å; L72-W95 HydrophobicContact CD2-CG 4.44Å
73K82.5Confident79.8Confident189 Ų189101.8 Ų101.882%0.82252%0.522SS*.  trans-96.2110.9176.2-64.1-175.2-178.5179.10110.3
74F83.5Confident82.1Confident63 Ų6395 Ų9528%0.27649%0.493SS..PPolyproline II helixtrans-83.8126.8174-63.1-87.2000110.5L72 R88 C91 Q92 W95L72-F74 HydrophobicContact CB-CE2 4.3Å; L72-F74 HydrophobicContact CD2-CE1 3.78Å; L72-F74 HydrophobicContact CD2-CE2 3.83Å; L72-F74 HydrophobicContact CD2-CZ 3.3Å; L72-F74 HydrophobicContact CG-CD2 4.4Å; L72-F74 HydrophobicContact CG-CE1 4.28Å; L72-F74 HydrophobicContact CG-CE2 3.9Å; L72-F74 HydrophobicContact CG-CZ 3.85Å; F74-R88 HydrophobicContact CB-CG 4.26Å; F74-C91 HydrophobicContact CD1-CB 4.27Å; F74-C91 HydrophobicContact CE1-CB 3.44Å; F74-C91 VanDerWaalsContact CE1-CB 3.44Å; F74-C91 HydrophobicContact CZ-CB 3.65Å; F74-Q92 HydrophobicContact CB-CG 4.24Å; F74-Q92 HydrophobicContact CD2-CB 4.38Å; F74-Q92 HydrophobicContact CD2-CG 3.28Å; F74-Q92 HydrophobicContact CE2-CB 4.31Å; F74-Q92 HydrophobicContact CE2-CG 3.65Å; F74-Q92 HydrophobicContact CG-CG 3.8Å; F74-Q92 HydrophobicContact CZ-CG 4.44Å; F74-W95 HydrophobicContact CE2-CB 4.26Å; F74-W95 HydrophobicContact CZ-CB 4.41Å
75K84.7Confident83.9Confident198 Ų19889.1 Ų89.186%0.86147%0.467SS*.PPolyproline II helixtrans-79131.1174.1-63.1-177.7-178-1800109.2
76S82.7Confident85.4Confident74 Ų7489.4 Ų89.452%0.51747%0.468SS..PPolyproline II helixtrans-93.3138.3170.5-170.40000110.1E80 R88S76-E80 WeakPolarHBondContact CA-OE1 3.37Å; S76-E80 WeakPolarHBondContact CB-OE1 3.5Å; S76-E80 PolarHBondContact OG-OE1 3.43Å; S76-R88 PolarHBondContact OG-NH2 2.91Å
77K84.1Confident86.1Confident109 Ų10989.5 Ų89.547%0.47446%0.457SS..PPolyproline II helixtrans-92.1146.1169.7-54.4176.1-173.9170.20108.8N79 E80 E84K77-N79 VanDerWaalsContact C-N 3.31Å; K77-N79 PolarHBondContact O-N 3.16Å; K77-E80 HydrophobicContact CB-CG 3.86Å; K77-E80 PolarHBondContact N-OE1 3.34Å; K77-E80 WeakPolarHBondContact O-CG 3.32Å; K77-E84 IonicContact NZ-OE1 3.31Å; K77-E84 PolarHBondContact NZ-OE1 3.05Å
78P81.9Confident86.7Confident129 Ų12991.9 Ų91.984%0.83847%0.466SS*.THydrogen-bonded Turntrans-66.2-29.9-179.324.4-33.3000113.7
79N85.1Confident87.2Confident149 Ų14987.9 Ų87.980%0.79745%0.446SS*.THydrogen-bonded Turntrans-116.853.5-178.2-62.2-25.2000111.2K77K77-N79 VanDerWaalsContact C-N 3.31Å; K77-N79 PolarHBondContact O-N 3.16Å
80E86Confident87.6Confident41 Ų4186.8 Ų86.819%0.19244%0.441CS..  trans-66.2133177.5-78170.8-16000111.1S76 K77 E84 R88S76-E80 WeakPolarHBondContact CA-OE1 3.37Å; S76-E80 WeakPolarHBondContact CB-OE1 3.5Å; S76-E80 PolarHBondContact OG-OE1 3.43Å; K77-E80 HydrophobicContact CB-CG 3.86Å; K77-E80 PolarHBondContact N-OE1 3.34Å; K77-E80 WeakPolarHBondContact O-CG 3.32Å; E80-E84 HydrophobicContact CB-CB 4.32Å; E80-E84 HydrophobicContact CG-CB 4.43Å; E80-R88 IonicContact OE1-CZ 3.66Å; E80-R88 IonicContact OE1-NE 3.57Å; E80-R88 PolarHBondContact OE1-NE 3.25Å; E80-R88 VanDerWaalsContact OE1-NE 3.13Å; E80-R88 IonicContact OE1-NH2 2.85Å; E80-R88 IonicContact OE2-CZ 3.64Å; E80-R88 VanDerWaalsContact OE2-CZ 3.31Å; E80-R88 IonicContact OE2-NE 2.8Å; E80-R88 PolarHBondContact OE2-NE 2.93Å; E80-R88 IonicContact OE2-NH2 2.86Å; E80-R88 PolarHBondContact OE2-NH2 3.43Å
81T90.9Very high88Confident53 Ų5380.5 Ų80.533%0.32541%0.413SS..  trans-68.8151.3167.4-46.70000109.6L83 E84 L85T81-L83 PolarHBondContact O-N 3.1Å; T81-E84 PolarHBondContact N-OE2 2.89Å; T81-E84 WeakPolarHBondContact O-CA 3.36Å; T81-E84 WeakPolarHBondContact O-CB 3.3Å; T81-E84 PolarHBondContact O-N 3.43Å; T81-E84 PolarHBondContact OG1-OE2 2.94Å; T81-L85 PolarHBondContact O-N 3.4Å
82T92.3Very high88.6Confident121 Ų12181.4 Ų81.474%0.74241%0.413SS*.Hα-helixtrans-46-37.7173.1-45.50000113.2K86T82-K86 WeakPolarHBondContact O-CB 3.47Å; T82-K86 PolarHBondContact O-N 2.86Å
83L93Very high89.2Confident39 Ų3980.8 Ų80.820%0.20441%0.408CS..Hα-helixtrans-70.5-41.7177.1-166.888.9000112.8T81 K86 Y87 L171 V172 Q175T81-L83 PolarHBondContact O-N 3.1Å; L83-K86 PolarHBondContact O-N 2.85Å; L83-Y87 WeakPolarHBondContact O-CB 3.39Å; L83-Y87 PolarHBondContact O-N 3.25Å; L83-L171 HydrophobicContact CD1-CB 4.29Å; L83-L171 HydrophobicContact CD1-CD1 4.29Å; L83-L171 VanDerWaalsContact CD2-C 3.41Å; L83-L171 HydrophobicContact CD2-CB 3.72Å; L83-V172 HydrophobicContact CB-CG2 4.37Å; L83-V172 VanDerWaalsContact CD2-CA 3.48Å; L83-V172 HydrophobicContact CD2-CB 4.08Å; L83-V172 HydrophobicContact CD2-CG2 3.45Å; L83-V172 VanDerWaalsContact CD2-CG2 3.45Å; L83-V172 VanDerWaalsContact CD2-N 3.34Å; L83-V172 HydrophobicContact CG-CG2 3.76Å; L83-Q175 HydrophobicContact CD2-CB 4.4Å
84E93Very high89.6Confident22 Ų2272.5 Ų72.510%0.10337%0.373CS..Hα-helixtrans-65.3-42.4175.2-70.5-179.8123.400111.2K77 E80 T81 K86 Y87 R88 V172 Q176K77-E84 IonicContact NZ-OE1 3.31Å; K77-E84 PolarHBondContact NZ-OE1 3.05Å; E80-E84 HydrophobicContact CB-CB 4.32Å; E80-E84 HydrophobicContact CG-CB 4.43Å; T81-E84 PolarHBondContact N-OE2 2.89Å; T81-E84 WeakPolarHBondContact O-CA 3.36Å; T81-E84 WeakPolarHBondContact O-CB 3.3Å; T81-E84 PolarHBondContact O-N 3.43Å; T81-E84 PolarHBondContact OG1-OE2 2.94Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 2.99Å; E84-Y87 PolarHBondContact O-N 3.01Å; E84-R88 WeakPolarHBondContact O-CB 3.07Å; E84-R88 PolarHBondContact O-N 3.48Å; E84-V172 HydrophobicContact CG-CG1 3.65Å; E84-V172 HydrophobicContact CG-CG2 4.19Å; E84-Q176 PolarHBondContact OE1-NE2 3.35Å
85L93Very high90Very high76 Ų7672.2 Ų72.240%0.39837%0.37SS..Hα-helixtrans-58.3-47.8173.9178.965.5000110.1T81 Y87 R88 T89T81-L85 PolarHBondContact O-N 3.4Å; L85-Y87 PolarHBondContact O-N 3.24Å; L85-R88 VanDerWaalsContact CD1-NH2 3.28Å; L85-R88 PolarHBondContact O-N 3.13Å; L85-T89 WeakPolarHBondContact O-CB 3.46Å; L85-T89 PolarHBondContact O-N 2.89Å; L85-T89 PolarHBondContact O-OG1 3.49Å
86K93.8Very high90.2Very high80 Ų8069.3 Ų69.335%0.34835%0.353SS..Hα-helixtrans-59.6-46.3176.9-174.3171.1-174.2166.50112.1T82 L83 E84 R88 T89 V90 Y164 L168T82-K86 WeakPolarHBondContact O-CB 3.47Å; T82-K86 PolarHBondContact O-N 2.86Å; L83-K86 PolarHBondContact O-N 2.85Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 2.99Å; K86-R88 PolarHBondContact O-N 2.76Å; K86-T89 PolarHBondContact O-N 2.89Å; K86-V90 HydrophobicContact CG-CG2 4.48Å; K86-V90 WeakPolarHBondContact O-CB 3.24Å; K86-V90 WeakPolarHBondContact O-CG2 3.14Å; K86-V90 PolarHBondContact O-N 2.83Å; K86-Y164 VanDerWaalsContact CE-OH 3.23Å; K86-Y164 WeakPolarHBondContact CE-OH 3.37Å; K86-L168 HydrophobicContact CD-CD2 4.49Å; K86-L168 HydrophobicContact CG-CD1 4.46Å
87Y93.8Very high90.6Very high75 Ų7568.7 Ų68.729%0.29434%0.34SS..Hα-helixtrans-57-48.7174.9170-101.3000111.7L83 E84 L85 V90 C91 I165 L168L83-Y87 WeakPolarHBondContact O-CB 3.39Å; L83-Y87 PolarHBondContact O-N 3.25Å; E84-Y87 PolarHBondContact O-N 3.01Å; L85-Y87 PolarHBondContact O-N 3.24Å; Y87-V90 PolarHBondContact O-N 3.26Å; Y87-C91 WeakPolarHBondContact O-CB 3.4Å; Y87-C91 PolarHBondContact O-N 3.3Å; Y87-C91 PolarHBondContact O-SG 3.01Å; Y87-I165 HydrophobicContact CE2-CG2 3.77Å; Y87-L168 HydrophobicContact CD2-CB 3.85Å
88R92.3Very high90.9Very high53 Ų5364.5 Ų64.520%0.232%0.323CS..Hα-helixtrans-61.6-47179.2-178170.463.297.5-6.8111.9F74 S76 E80 E84 L85 K86 C91 Q92F74-R88 HydrophobicContact CB-CG 4.26Å; S76-R88 PolarHBondContact OG-NH2 2.91Å; E80-R88 IonicContact OE1-CZ 3.66Å; E80-R88 IonicContact OE1-NE 3.57Å; E80-R88 PolarHBondContact OE1-NE 3.25Å; E80-R88 VanDerWaalsContact OE1-NE 3.13Å; E80-R88 IonicContact OE1-NH2 2.85Å; E80-R88 IonicContact OE2-CZ 3.64Å; E80-R88 VanDerWaalsContact OE2-CZ 3.31Å; E80-R88 IonicContact OE2-NE 2.8Å; E80-R88 PolarHBondContact OE2-NE 2.93Å; E80-R88 IonicContact OE2-NH2 2.86Å; E80-R88 PolarHBondContact OE2-NH2 3.43Å; E84-R88 WeakPolarHBondContact O-CB 3.07Å; E84-R88 PolarHBondContact O-N 3.48Å; L85-R88 VanDerWaalsContact CD1-NH2 3.28Å; L85-R88 PolarHBondContact O-N 3.13Å; K86-R88 PolarHBondContact O-N 2.76Å; R88-C91 PolarHBondContact O-N 2.8Å; R88-Q92 WeakPolarHBondContact O-CB 3.32Å; R88-Q92 WeakPolarHBondContact O-CG 3.45Å; R88-Q92 PolarHBondContact O-N 3.48Å
89T92.6Very high91.3Very high50 Ų5060 Ų6031%0.30729%0.291SS..Hα-helixtrans-59.4-47.6178.2-60.20000111.1L85 K86 C91 Q92 E93L85-T89 WeakPolarHBondContact O-CB 3.46Å; L85-T89 PolarHBondContact O-N 2.89Å; L85-T89 PolarHBondContact O-OG1 3.49Å; K86-T89 PolarHBondContact O-N 2.89Å; T89-C91 VanDerWaalsContact C-N 3.34Å; T89-C91 PolarHBondContact O-N 3.49Å; T89-Q92 WeakPolarHBondContact O-CB 3.48Å; T89-Q92 PolarHBondContact O-N 2.9Å; T89-E93 HydrophobicContact CG2-CG 4.29Å; T89-E93 WeakPolarHBondContact O-CB 3.21Å; T89-E93 WeakPolarHBondContact O-CG 3.36Å; T89-E93 PolarHBondContact O-N 2.92Å
90V92.7Very high91.5Very high13 Ų1356.1 Ų56.18%0.07927%0.268CS..Hα-helixtrans-62.1-41.2179.1170.30000111.6K86 Y87 T94 Y164 I165 L168K86-V90 HydrophobicContact CG-CG2 4.48Å; K86-V90 WeakPolarHBondContact O-CB 3.24Å; K86-V90 WeakPolarHBondContact O-CG2 3.14Å; K86-V90 PolarHBondContact O-N 2.83Å; Y87-V90 PolarHBondContact O-N 3.26Å; V90-T94 VanDerWaalsContact O-CB 3.28Å; V90-T94 WeakPolarHBondContact O-CB 3.44Å; V90-T94 PolarHBondContact O-N 3.16Å; V90-T94 PolarHBondContact O-OG1 2.89Å; V90-Y164 HydrophobicContact CG1-CD1 3.7Å; V90-Y164 HydrophobicContact CG1-CE1 3.95Å; V90-Y164 HydrophobicContact CG2-CD1 4.41Å; V90-Y164 HydrophobicContact CG2-CE1 3.8Å; V90-I165 HydrophobicContact CG1-CG1 3.78Å; V90-L168 HydrophobicContact CB-CD1 4.14Å; V90-L168 HydrophobicContact CG1-CD1 4.25Å; V90-L168 HydrophobicContact CG2-CD1 3.91Å
91C91.7Very high91.7Very high10 Ų1055 Ų557%0.06826%0.263CS..Hα-helixtrans-63.1-43.6174.9-72.50000112.1F74 Y87 R88 T89 T94 W95F74-C91 HydrophobicContact CD1-CB 4.27Å; F74-C91 HydrophobicContact CE1-CB 3.44Å; F74-C91 VanDerWaalsContact CE1-CB 3.44Å; F74-C91 HydrophobicContact CZ-CB 3.65Å; Y87-C91 WeakPolarHBondContact O-CB 3.4Å; Y87-C91 PolarHBondContact O-N 3.3Å; Y87-C91 PolarHBondContact O-SG 3.01Å; R88-C91 PolarHBondContact O-N 2.8Å; T89-C91 VanDerWaalsContact C-N 3.34Å; T89-C91 PolarHBondContact O-N 3.49Å; C91-T94 PolarHBondContact O-N 3.18Å; C91-W95 WeakPolarHBondContact O-CB 3.45Å; C91-W95 PolarHBondContact O-N 3.4Å
92Q92Very high91.7Very high71 Ų7156.4 Ų56.433%0.33226%0.262SS..Hα-helixtrans-63.1-46.1176.7-77177.7-27.500112.1F74 R88 T89 W95 R96F74-Q92 HydrophobicContact CB-CG 4.24Å; F74-Q92 HydrophobicContact CD2-CB 4.38Å; F74-Q92 HydrophobicContact CD2-CG 3.28Å; F74-Q92 HydrophobicContact CE2-CB 4.31Å; F74-Q92 HydrophobicContact CE2-CG 3.65Å; F74-Q92 HydrophobicContact CG-CG 3.8Å; F74-Q92 HydrophobicContact CZ-CG 4.44Å; R88-Q92 WeakPolarHBondContact O-CB 3.32Å; R88-Q92 WeakPolarHBondContact O-CG 3.45Å; R88-Q92 PolarHBondContact O-N 3.48Å; T89-Q92 WeakPolarHBondContact O-CB 3.48Å; T89-Q92 PolarHBondContact O-N 2.9Å; Q92-W95 PolarHBondContact O-N 2.99Å; Q92-R96 WeakPolarHBondContact O-CB 3.45Å; Q92-R96 PolarHBondContact O-N 3.35Å
93E91.6Very high91.6Very high82 Ų8251.6 Ų51.638%0.38323%0.233SC..Hα-helixtrans-62.4-44.9177-73.4176.6169.300111.4T89 W95 R96 W97T89-E93 HydrophobicContact CG2-CG 4.29Å; T89-E93 WeakPolarHBondContact O-CB 3.21Å; T89-E93 WeakPolarHBondContact O-CG 3.36Å; T89-E93 PolarHBondContact O-N 2.92Å; E93-W95 VanDerWaalsContact C-N 3.33Å; E93-W95 PolarHBondContact O-N 3.25Å; E93-R96 PolarHBondContact O-N 2.85Å; E93-W97 WeakPolarHBondContact O-CB 3.39Å; E93-W97 PolarHBondContact O-N 3.41Å
94T92Very high91.4Very high14 Ų1453.4 Ų53.49%0.08624%0.242CC..Hα-helixtrans-61.9-42.3177.1-59.30000111.2V90 C91 L98 W158 I165V90-T94 VanDerWaalsContact O-CB 3.28Å; V90-T94 WeakPolarHBondContact O-CB 3.44Å; V90-T94 PolarHBondContact O-N 3.16Å; V90-T94 PolarHBondContact O-OG1 2.89Å; C91-T94 PolarHBondContact O-N 3.18Å; T94-L98 WeakPolarHBondContact O-CB 3.49Å; T94-L98 PolarHBondContact O-N 2.94Å; T94-W158 HydrophobicContact CG2-CE3 4.24Å; T94-W158 HydrophobicContact CG2-CZ3 3.8Å; T94-I165 HydrophobicContact CG2-CD1 3.95Å
95W90.6Very high91.3Very high58 Ų5853.4 Ų53.422%0.2224%0.242CC..Hα-helixtrans-67.1-42.5177.4-171.985.7000112I69 H70 P71 L72 F74 C91 Q92 E93 L98 N99I69-W95 HydrophobicContact CG2-CZ2 4.17Å; H70-W95 VanDerWaalsContact O-CZ2 3.26Å; H70-W95 WeakPolarHBondContact O-CZ2 3.13Å; P71-W95 HydrophobicContact CB-CH2 4.34Å; L72-W95 HydrophobicContact CB-CD2 4.07Å; L72-W95 HydrophobicContact CB-CG 4.01Å; L72-W95 HydrophobicContact CD2-CG 4.44Å; F74-W95 HydrophobicContact CE2-CB 4.26Å; F74-W95 HydrophobicContact CZ-CB 4.41Å; C91-W95 WeakPolarHBondContact O-CB 3.45Å; C91-W95 PolarHBondContact O-N 3.4Å; Q92-W95 PolarHBondContact O-N 2.99Å; E93-W95 VanDerWaalsContact C-N 3.33Å; E93-W95 PolarHBondContact O-N 3.25Å; W95-L98 WeakPolarHBondContact O-CB 3.17Å; W95-L98 PolarHBondContact O-N 3.45Å; W95-N99 HydrophobicContact CH2-CB 4.31Å; W95-N99 HydrophobicContact CZ3-CB 4.39Å; W95-N99 WeakPolarHBondContact O-CB 3.48Å; W95-N99 PolarHBondContact O-N 2.94Å
96R89.7Confident91.3Very high137 Ų13751.1 Ų51.152%0.51723%0.23SC..Hα-helixtrans-59.9-47.9174.9179.6178.7174.8168.60.7111.2Q92 E93 L98 N99 E100Q92-R96 WeakPolarHBondContact O-CB 3.45Å; Q92-R96 PolarHBondContact O-N 3.35Å; E93-R96 PolarHBondContact O-N 2.85Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 3.42Å; R96-N99 PolarHBondContact O-N 2.86Å; R96-E100 HydrophobicContact CG-CG 4.48Å; R96-E100 WeakPolarHBondContact CG-OE1 3.35Å; R96-E100 IonicContact CZ-OE1 2.71Å; R96-E100 IonicContact NE-OE1 3.75Å; R96-E100 PolarHBondContact NE-OE1 3.14Å; R96-E100 IonicContact NH2-OE1 3.73Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 WeakPolarHBondContact O-CG 3.39Å; R96-E100 PolarHBondContact O-N 2.93Å
97W90.3Very high91.1Very high60 Ų6051.6 Ų51.623%0.22724%0.236CC..Hα-helixtrans-58.7-44.5176.1172.175.9000112E93 N99 E100 Y101 F154 K157 W158E93-W97 WeakPolarHBondContact O-CB 3.39Å; E93-W97 PolarHBondContact O-N 3.41Å; W97-N99 PolarHBondContact O-N 2.91Å; W97-E100 PolarHBondContact O-N 3.2Å; W97-Y101 WeakPolarHBondContact O-CB 3.23Å; W97-Y101 PolarHBondContact O-N 3.49Å; W97-F154 AromaticContact CH2-CD2 3.44Å; W97-F154 HydrophobicContact CH2-CD2 3.44Å; W97-F154 VanDerWaalsContact CH2-CD2 3.44Å; W97-F154 AromaticContact CH2-CE2 3.56Å; W97-F154 HydrophobicContact CH2-CE2 3.56Å; W97-F154 HydrophobicContact CH2-CG 4.44Å; W97-F154 AromaticContact CZ2-CD2 3.94Å; W97-F154 HydrophobicContact CZ2-CD2 3.94Å; W97-F154 HydrophobicContact CZ2-CE2 4.34Å; W97-F154 HydrophobicContact CZ3-CD2 4.2Å; W97-F154 AromaticContact CZ3-CE2 3.83Å; W97-F154 HydrophobicContact CZ3-CE2 3.83Å; W97-K157 HydrophobicContact CH2-CB 3.78Å; W97-K157 HydrophobicContact CZ2-CB 3.88Å; W97-K157 HydrophobicContact CZ2-CD 4.07Å; W97-W158 HydrophobicContact CH2-CB 4.46Å; W97-W158 HydrophobicContact CZ3-CB 4.33Å; W97-W158 HydrophobicContact CZ3-CE3 4.11Å
98L91.7Very high91Very high22 Ų2248.9 Ų48.912%0.11523%0.228CC..Hα-helixtrans-60-46.6176.7-177.570.8000111.1I69 T94 W95 R96 Y101 W102 F154 W158I69-L98 HydrophobicContact CD1-CD2 4.02Å; I69-L98 HydrophobicContact CD1-CG 3.73Å; T94-L98 WeakPolarHBondContact O-CB 3.49Å; T94-L98 PolarHBondContact O-N 2.94Å; W95-L98 WeakPolarHBondContact O-CB 3.17Å; W95-L98 PolarHBondContact O-N 3.45Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 3.42Å; L98-Y101 PolarHBondContact O-N 3.02Å; L98-W102 VanDerWaalsContact O-CD1 3.27Å; L98-W102 PolarHBondContact O-N 3.3Å; L98-F154 HydrophobicContact CD1-CE2 3.9Å; L98-F154 HydrophobicContact CD1-CZ 3.71Å; L98-W158 HydrophobicContact CB-CZ3 4.39Å; L98-W158 HydrophobicContact CD1-CE3 4.16Å; L98-W158 HydrophobicContact CD1-CZ3 4.07Å; L98-W158 HydrophobicContact CD2-CH2 3.94Å; L98-W158 HydrophobicContact CD2-CZ3 3.9Å; L98-W158 HydrophobicContact CG-CZ3 4.34Å
99N88.9Confident90.9Very high33 Ų3349.4 Ų49.418%0.17623%0.23CC..Hα-helixtrans-62.8-44.1178.1-178.571.5000112.5S67 W95 R96 W97 S103S67-N99 VanDerWaalsContact CB-O 3.32Å; S67-N99 WeakPolarHBondContact CB-O 3.45Å; S67-N99 VanDerWaalsContact CB-OD1 3.31Å; S67-N99 WeakPolarHBondContact CB-OD1 3.42Å; S67-N99 PolarHBondContact OG-OD1 3.43Å; W95-N99 HydrophobicContact CH2-CB 4.31Å; W95-N99 HydrophobicContact CZ3-CB 4.39Å; W95-N99 WeakPolarHBondContact O-CB 3.48Å; W95-N99 PolarHBondContact O-N 2.94Å; R96-N99 PolarHBondContact O-N 2.86Å; W97-N99 PolarHBondContact O-N 2.91Å; N99-S103 WeakPolarHBondContact O-CB 3.49Å; N99-S103 PolarHBondContact O-N 3.13Å; N99-S103 PolarHBondContact O-OG 2.85Å
100E89.5Confident90.8Very high69 Ų6949.8 Ų49.832%0.32224%0.235SC..Hα-helixtrans-63.7-45.7176.4-73.8173.2-175.300111.3R96 W97 W102 S103 L104R96-E100 HydrophobicContact CG-CG 4.48Å; R96-E100 WeakPolarHBondContact CG-OE1 3.35Å; R96-E100 IonicContact CZ-OE1 2.71Å; R96-E100 IonicContact NE-OE1 3.75Å; R96-E100 PolarHBondContact NE-OE1 3.14Å; R96-E100 IonicContact NH2-OE1 3.73Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 WeakPolarHBondContact O-CG 3.39Å; R96-E100 PolarHBondContact O-N 2.93Å; W97-E100 PolarHBondContact O-N 3.2Å; E100-W102 PolarHBondContact O-N 3.43Å; E100-S103 WeakPolarHBondContact O-CB 3.32Å; E100-S103 PolarHBondContact O-N 3.05Å; E100-L104 WeakPolarHBondContact O-CG 3.28Å; E100-L104 PolarHBondContact O-N 2.87Å
101Y90.3Very high90.8Very high17 Ų1755.7 Ų55.77%0.06726%0.26CS..Hα-helixtrans-57.3-51.2177.6175.5-90.2000111.9F26 W97 L98 S103 L104 Y105 Q150 F154F26-Y101 HydrophobicContact CZ-CD2 4.25Å; F26-Y101 HydrophobicContact CZ-CE2 4.44Å; W97-Y101 WeakPolarHBondContact O-CB 3.23Å; W97-Y101 PolarHBondContact O-N 3.49Å; L98-Y101 PolarHBondContact O-N 3.02Å; Y101-S103 VanDerWaalsContact C-N 3.34Å; Y101-S103 PolarHBondContact O-N 3.41Å; Y101-L104 PolarHBondContact O-N 3.35Å; Y101-Y105 WeakPolarHBondContact O-CB 3.48Å; Y101-Y105 PolarHBondContact O-N 3.29Å; Y101-Q150 HydrophobicContact CE2-CG 4.49Å; Y101-F154 AromaticContact CD1-CD2 3.38Å; Y101-F154 HydrophobicContact CD1-CD2 3.38Å; Y101-F154 AromaticContact CD1-CE2 3.36Å; Y101-F154 HydrophobicContact CD1-CE2 3.36Å; Y101-F154 HydrophobicContact CD1-CG 4.17Å; Y101-F154 HydrophobicContact CD1-CZ 4.14Å; Y101-F154 AromaticContact CD2-CD2 3.69Å; Y101-F154 HydrophobicContact CD2-CD2 3.69Å; Y101-F154 HydrophobicContact CD2-CE2 4.36Å; Y101-F154 HydrophobicContact CD2-CG 4.45Å; Y101-F154 HydrophobicContact CE1-CB 4.25Å; Y101-F154 HydrophobicContact CE1-CD1 4.15Å; Y101-F154 AromaticContact CE1-CD2 3.31Å; Y101-F154 HydrophobicContact CE1-CD2 3.31Å; Y101-F154 HydrophobicContact CE1-CE1 4.4Å; Y101-F154 AromaticContact CE1-CE2 3.61Å; Y101-F154 HydrophobicContact CE1-CE2 3.61Å; Y101-F154 AromaticContact CE1-CG 3.61Å; Y101-F154 HydrophobicContact CE1-CG 3.61Å; Y101-F154 HydrophobicContact CE1-CZ 4.15Å; Y101-F154 HydrophobicContact CE2-CB 3.77Å; Y101-F154 AromaticContact CE2-CD2 3.6Å; Y101-F154 HydrophobicContact CE2-CD2 3.6Å; Y101-F154 AromaticContact CE2-CG 3.91Å; Y101-F154 HydrophobicContact CE2-CG 3.91Å; Y101-F154 AromaticContact CG-CD2 3.58Å; Y101-F154 HydrophobicContact CG-CD2 3.58Å; Y101-F154 AromaticContact CG-CE2 3.78Å; Y101-F154 HydrophobicContact CG-CE2 3.78Å; Y101-F154 AromaticContact CZ-CD2 3.42Å; Y101-F154 VanDerWaalsContact CZ-CD2 3.42Å; Y101-F154 AromaticContact CZ-CG 3.46Å; Y101-F154 VanDerWaalsContact CZ-CG 3.46Å; Y101-F154 WeakPolarHBondContact OH-CB 3.48Å
102W90.3Very high90.8Very high83 Ų8356.2 Ų56.231%0.31426%0.264SS..Hα-helixtrans-70-31.8-178.5-80.8104.1000112.8I69 L98 E100 Y105 N106 F154I69-W102 HydrophobicContact CD1-CB 3.8Å; I69-W102 HydrophobicContact CD1-CG 3.71Å; L98-W102 VanDerWaalsContact O-CD1 3.27Å; L98-W102 PolarHBondContact O-N 3.3Å; E100-W102 PolarHBondContact O-N 3.43Å; W102-Y105 AromaticContact CE3-CD1 3.84Å; W102-Y105 HydrophobicContact CE3-CD1 3.84Å; W102-Y105 HydrophobicContact CE3-CG 4.35Å; W102-Y105 AromaticContact CZ3-CD1 3.62Å; W102-Y105 HydrophobicContact CZ3-CD1 3.62Å; W102-Y105 AromaticContact CZ3-CE1 3.84Å; W102-Y105 HydrophobicContact CZ3-CE1 3.84Å; W102-Y105 HydrophobicContact CZ3-CG 4.37Å; W102-Y105 PolarHBondContact O-N 3.04Å; W102-N106 VanDerWaalsContact O-CB 3.3Å; W102-N106 WeakPolarHBondContact O-CB 3.39Å; W102-N106 PolarHBondContact O-N 3.17Å; W102-N106 PolarHBondContact O-ND2 3.18Å; W102-F154 AromaticContact NE1-CZ 3.79Å
103S90.4Very high90.8Very high19 Ų1956.4 Ų56.413%0.13326%0.264CS..Hα-helixtrans-59.6-48171.9-66.70000111.5S66 S67 N99 E100 Y101 L107S66-S103 WeakPolarHBondContact OG-CB 3.39Å; S66-S103 PolarHBondContact OG-OG 2.72Å; S67-S103 WeakPolarHBondContact CB-OG 3.45Å; S67-S103 PolarHBondContact N-OG 3.37Å; N99-S103 WeakPolarHBondContact O-CB 3.49Å; N99-S103 PolarHBondContact O-N 3.13Å; N99-S103 PolarHBondContact O-OG 2.85Å; E100-S103 WeakPolarHBondContact O-CB 3.32Å; E100-S103 PolarHBondContact O-N 3.05Å; Y101-S103 VanDerWaalsContact C-N 3.34Å; Y101-S103 PolarHBondContact O-N 3.41Å; S103-L107 WeakPolarHBondContact O-CB 3.4Å; S103-L107 PolarHBondContact O-N 2.91Å; S103-L107 VanDerWaalsContact O-N 3.09Å
104L89.9Confident90.8Very high77 Ų7757.4 Ų57.440%0.40327%0.272SS..Hα-helixtrans-67.6-40.6178.3-68.5173.6000112.1F26 E100 Y101 L107 S108F26-L104 HydrophobicContact CD2-CD1 4.12Å; F26-L104 HydrophobicContact CE2-CD1 3.83Å; F26-L104 HydrophobicContact CZ-CB 4.41Å; F26-L104 HydrophobicContact CZ-CD1 4.16Å; E100-L104 WeakPolarHBondContact O-CG 3.28Å; E100-L104 PolarHBondContact O-N 2.87Å; Y101-L104 PolarHBondContact O-N 3.35Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-S108 PolarHBondContact O-N 3.4Å
105Y90.6Very high90.7Very high23 Ų2358.2 Ų58.29%0.0928%0.28CS..Hα-helixtrans-64-44.8178.3-174.3-91.8000112Y101 W102 L107 S108 Y109 F143Y101-Y105 WeakPolarHBondContact O-CB 3.48Å; Y101-Y105 PolarHBondContact O-N 3.29Å; W102-Y105 AromaticContact CE3-CD1 3.84Å; W102-Y105 HydrophobicContact CE3-CD1 3.84Å; W102-Y105 HydrophobicContact CE3-CG 4.35Å; W102-Y105 AromaticContact CZ3-CD1 3.62Å; W102-Y105 HydrophobicContact CZ3-CD1 3.62Å; W102-Y105 AromaticContact CZ3-CE1 3.84Å; W102-Y105 HydrophobicContact CZ3-CE1 3.84Å; W102-Y105 HydrophobicContact CZ3-CG 4.37Å; W102-Y105 PolarHBondContact O-N 3.04Å; Y105-L107 VanDerWaalsContact C-N 3.32Å; Y105-L107 PolarHBondContact O-N 3.4Å; Y105-S108 PolarHBondContact O-N 3.28Å; Y105-S108 PolarHBondContact O-OG 3.22Å; Y105-Y109 VanDerWaalsContact O-CB 3.24Å; Y105-Y109 WeakPolarHBondContact O-CB 3.44Å; Y105-Y109 PolarHBondContact O-N 2.92Å; Y105-F143 HydrophobicContact CE1-CE1 4.3Å; Y105-F143 HydrophobicContact CE2-CE1 4.25Å; Y105-F143 AromaticContact CZ-CE1 3.74Å; Y105-F143 WeakPolarHBondContact OH-CE1 3.4Å
106N92Very high90.7Very high27 Ų2756.5 Ų56.514%0.14427%0.274CS..Hα-helixtrans-67.1-36.3178.3-69.4-14.7000111.7S66 S67 N68 W102 S110S66-N106 WeakPolarHBondContact O-CB 3.45Å; S66-N106 PolarHBondContact O-ND2 2.93Å; S67-N106 VanDerWaalsContact C-ND2 3.26Å; S67-N106 PolarHBondContact O-ND2 3.32Å; S67-N106 VanDerWaalsContact O-ND2 3.15Å; N68-N106 PolarHBondContact ND2-ND2 2.93Å; W102-N106 VanDerWaalsContact O-CB 3.3Å; W102-N106 WeakPolarHBondContact O-CB 3.39Å; W102-N106 PolarHBondContact O-N 3.17Å; W102-N106 PolarHBondContact O-ND2 3.18Å; N106-S110 WeakPolarHBondContact O-CB 3.47Å; N106-S110 PolarHBondContact O-N 3.31Å; N106-S110 PolarHBondContact O-OG 3.35Å
107L91.3Very high90.8Very high90 Ų9051.8 Ų51.847%0.47126%0.259SS..Hα-helixtrans-62.1-47.8172.8179.364000111.2S103 L104 Y105 S110 K111S103-L107 WeakPolarHBondContact O-CB 3.4Å; S103-L107 PolarHBondContact O-N 2.91Å; S103-L107 VanDerWaalsContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 2.84Å; Y105-L107 VanDerWaalsContact C-N 3.32Å; Y105-L107 PolarHBondContact O-N 3.4Å; L107-S110 PolarHBondContact O-N 3Å; L107-K111 WeakPolarHBondContact O-CG 3.42Å; L107-K111 PolarHBondContact O-N 2.75Å
108S89.7Confident90.7Very high19 Ų1951.9 Ų51.913%0.13326%0.262CS..Hα-helixtrans-67-39.1-18081.30000112.1M29 L104 Y105 K111 A112M29-S108 VanDerWaalsContact CE-OG 3.24Å; M29-S108 WeakPolarHBondContact CE-OG 3.35Å; M29-S108 PolarHBondContact SD-OG 2.84Å; M29-S108 VanDerWaalsContact SD-OG 3.36Å; L104-S108 PolarHBondContact O-N 3.4Å; Y105-S108 PolarHBondContact O-N 3.28Å; Y105-S108 PolarHBondContact O-OG 3.22Å; S108-K111 PolarHBondContact O-N 3.41Å; S108-A112 WeakPolarHBondContact O-CB 3.26Å; S108-A112 PolarHBondContact O-N 2.94Å
109Y90.7Very high90.5Very high64 Ų6455.4 Ų55.425%0.25128%0.277SS..Hα-helixtrans-60.9-47.2173.8174.1-98.1000111.7Y105 K111 A112 K113 F139 H140 F143Y105-Y109 VanDerWaalsContact O-CB 3.24Å; Y105-Y109 WeakPolarHBondContact O-CB 3.44Å; Y105-Y109 PolarHBondContact O-N 2.92Å; Y109-K111 VanDerWaalsContact C-N 3.34Å; Y109-K111 PolarHBondContact O-N 2.86Å; Y109-A112 PolarHBondContact O-N 3.49Å; Y109-K113 HydrophobicContact CE1-CD 4.25Å; Y109-K113 VanDerWaalsContact O-CB 3.24Å; Y109-K113 WeakPolarHBondContact O-CB 3Å; Y109-K113 PolarHBondContact O-N 3.25Å; Y109-F139 HydrophobicContact CD2-CE1 4.28Å; Y109-F139 HydrophobicContact CD2-CZ 4.23Å; Y109-F139 AromaticContact CE2-CE1 3.6Å; Y109-F139 HydrophobicContact CE2-CE1 3.6Å; Y109-F139 HydrophobicContact CE2-CZ 4.01Å; Y109-H140 PolarHBondContact OH-CE1 3.48Å; Y109-F143 AromaticContact CD2-CD1 3.93Å; Y109-F143 HydrophobicContact CD2-CD1 3.93Å; Y109-F143 HydrophobicContact CD2-CD2 4.49Å; Y109-F143 AromaticContact CD2-CE1 3.59Å; Y109-F143 HydrophobicContact CD2-CE1 3.59Å; Y109-F143 HydrophobicContact CD2-CE2 4.19Å; Y109-F143 HydrophobicContact CD2-CG 4.37Å; Y109-F143 AromaticContact CD2-CZ 3.74Å; Y109-F143 HydrophobicContact CD2-CZ 3.74Å; Y109-F143 HydrophobicContact CE2-CD1 4.37Å; Y109-F143 HydrophobicContact CE2-CE1 4.42Å; Y109-F143 HydrophobicContact CG-CE1 4.47Å; Y109-F143 HydrophobicContact CG-CZ 4.31Å
110S91.1Very high90.4Very high57 Ų5756.1 Ų56.140%0.39928%0.279SS..Hα-helixtrans-62.5-41.9179.3-590000111.4N106 L107 K113 N114N106-S110 WeakPolarHBondContact O-CB 3.47Å; N106-S110 PolarHBondContact O-N 3.31Å; N106-S110 PolarHBondContact O-OG 3.35Å; L107-S110 PolarHBondContact O-N 3Å; S110-K113 PolarHBondContact O-N 2.9Å; S110-N114 WeakPolarHBondContact O-CB 3.48Å; S110-N114 PolarHBondContact O-N 3.35Å; S110-N114 PolarHBondContact O-ND2 2.89Å; S110-N114 PolarHBondContact O-OD1 2.98Å
111K92.5Very high90.3Very high138 Ų13857.8 Ų57.860%0.629%0.288SS*.Hα-helixtrans-61.8-48.2173.7-72.4179.9179.4-175.80112.2L107 S108 Y109 K113 N114 A115L107-K111 WeakPolarHBondContact O-CG 3.42Å; L107-K111 PolarHBondContact O-N 2.75Å; S108-K111 PolarHBondContact O-N 3.41Å; Y109-K111 VanDerWaalsContact C-N 3.34Å; Y109-K111 PolarHBondContact O-N 2.86Å; K111-K113 VanDerWaalsContact C-N 3.35Å; K111-K113 PolarHBondContact O-N 3.34Å; K111-N114 PolarHBondContact O-N 3.3Å; K111-A115 PolarHBondContact O-N 3.25Å
112A91.2Very high90Very high20 Ų2061.2 Ų61.217%0.16530%0.303CS..Hα-helixtrans-63.8-41179.700000112S108 Y109 A115 F116 F139 F143S108-A112 WeakPolarHBondContact O-CB 3.26Å; S108-A112 PolarHBondContact O-N 2.94Å; Y109-A112 PolarHBondContact O-N 3.49Å; A112-A115 PolarHBondContact O-N 3.45Å; A112-F116 WeakPolarHBondContact O-CB 3.26Å; A112-F116 PolarHBondContact O-N 2.92Å; A112-F139 HydrophobicContact CB-CE2 4.06Å; A112-F139 HydrophobicContact CB-CZ 4.3Å; A112-F143 HydrophobicContact CB-CD2 4.04Å; A112-F143 HydrophobicContact CB-CE2 3.85Å
113K91.8Very high89.7Confident76 Ų7660.3 Ų60.333%0.3330%0.304SS..Hα-helixtrans-61.5-46.6175.6-177.5-177.6175.6-173.10111.2Y109 S110 K111 F116 L117 M136 F139Y109-K113 HydrophobicContact CE1-CD 4.25Å; Y109-K113 VanDerWaalsContact O-CB 3.24Å; Y109-K113 WeakPolarHBondContact O-CB 3Å; Y109-K113 PolarHBondContact O-N 3.25Å; S110-K113 PolarHBondContact O-N 2.9Å; K111-K113 VanDerWaalsContact C-N 3.35Å; K111-K113 PolarHBondContact O-N 3.34Å; K113-F116 PolarHBondContact O-N 3.45Å; K113-L117 HydrophobicContact CG-CD1 4.16Å; K113-L117 WeakPolarHBondContact O-CG 3.38Å; K113-L117 PolarHBondContact O-N 3.09Å; K113-M136 HydrophobicContact CD-CE 4.38Å; K113-M136 HydrophobicContact CG-CE 4.09Å; K113-F139 VanDerWaalsContact CA-CZ 3.5Å; K113-F139 HydrophobicContact CB-CE1 3.98Å; K113-F139 HydrophobicContact CB-CE2 4.4Å; K113-F139 HydrophobicContact CB-CZ 3.71Å; K113-F139 HydrophobicContact CG-CE1 4.23Å; K113-F139 HydrophobicContact CG-CZ 4.42Å
114N92Very high89.2Confident102 Ų10261.9 Ų61.955%0.54531%0.311SS..Hα-helixtrans-63.5-42.4179-70.7-10.1000111.5S110 K111 F116 L117 E118S110-N114 WeakPolarHBondContact O-CB 3.48Å; S110-N114 PolarHBondContact O-N 3.35Å; S110-N114 PolarHBondContact O-ND2 2.89Å; S110-N114 PolarHBondContact O-OD1 2.98Å; K111-N114 PolarHBondContact O-N 3.3Å; N114-F116 VanDerWaalsContact C-N 3.34Å; N114-F116 PolarHBondContact O-N 3.38Å; N114-L117 PolarHBondContact O-N 3.22Å; N114-E118 WeakPolarHBondContact O-CB 3.36Å; N114-E118 PolarHBondContact O-N 3.39Å
115A91Very high88.7Confident31 Ų3166.6 Ų66.626%0.25633%0.328SS..Hα-helixtrans-63.5-38.9175.800000112.6L35 K111 A112 K119L35-A115 HydrophobicContact CD1-CB 4.24Å; K111-A115 PolarHBondContact O-N 3.25Å; A112-A115 PolarHBondContact O-N 3.45Å; A115-K119 WeakPolarHBondContact O-CB 3.44Å; A115-K119 PolarHBondContact O-N 3.32Å
116F90.9Very high88.1Confident23 Ų2371.7 Ų71.710%0.10136%0.357CS..Hα-helixtrans-63.9-48.5174.4177.9-94.1000111.6A112 K113 N114 E118 K119 E120 P134 D135 M136 F139A112-F116 WeakPolarHBondContact O-CB 3.26Å; A112-F116 PolarHBondContact O-N 2.92Å; K113-F116 PolarHBondContact O-N 3.45Å; N114-F116 VanDerWaalsContact C-N 3.34Å; N114-F116 PolarHBondContact O-N 3.38Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 2.95Å; F116-K119 WeakPolarHBondContact O-CB 3.37Å; F116-K119 PolarHBondContact O-N 3.45Å; F116-E120 HydrophobicContact CD1-CG 4.15Å; F116-E120 HydrophobicContact CE1-CG 3.68Å; F116-E120 HydrophobicContact CE2-CG 4.13Å; F116-E120 HydrophobicContact CZ-CG 3.66Å; F116-E120 WeakPolarHBondContact O-CG 3.5Å; F116-E120 PolarHBondContact O-N 3.47Å; F116-P134 HydrophobicContact CE1-CB 4.49Å; F116-D135 WeakPolarHBondContact CZ-O 3.49Å; F116-M136 HydrophobicContact CD1-SD 4.35Å; F116-M136 HydrophobicContact CE1-SD 4.31Å; F116-F139 HydrophobicContact CB-CD2 3.6Å; F116-F139 HydrophobicContact CB-CE2 4.14Å; F116-F139 HydrophobicContact CB-CG 4.29Å; F116-F139 HydrophobicContact CD1-CB 3.63Å; F116-F139 HydrophobicContact CD1-CD2 4.21Å; F116-F139 HydrophobicContact CD1-CG 4.06Å; F116-F139 HydrophobicContact CD2-CB 3.87Å; F116-F139 HydrophobicContact CD2-CD2 4.02Å; F116-F139 HydrophobicContact CD2-CG 4.38Å; F116-F139 HydrophobicContact CE1-CB 3.62Å; F116-F139 HydrophobicContact CE2-CB 3.86Å; F116-F139 HydrophobicContact CG-CB 3.75Å; F116-F139 AromaticContact CG-CD2 3.68Å; F116-F139 HydrophobicContact CG-CD2 3.68Å; F116-F139 AromaticContact CG-CG 3.98Å; F116-F139 HydrophobicContact CG-CG 3.98Å; F116-F139 HydrophobicContact CZ-CB 3.74Å
117L89.8Confident87Confident38 Ų3875.2 Ų75.220%0.19938%0.375CS..Hα-helixtrans-60.2-41.7177.2-72.3173.5000111.7K113 N114 K119 E120 M121 P134 M136K113-L117 HydrophobicContact CG-CD1 4.16Å; K113-L117 WeakPolarHBondContact O-CG 3.38Å; K113-L117 PolarHBondContact O-N 3.09Å; N114-L117 PolarHBondContact O-N 3.22Å; L117-K119 PolarHBondContact O-N 3.29Å; L117-E120 PolarHBondContact O-N 2.94Å; L117-M121 VanDerWaalsContact O-CB 3.3Å; L117-M121 WeakPolarHBondContact O-CB 3.48Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.48Å; L117-P134 HydrophobicContact CD2-CB 3.88Å; L117-P134 HydrophobicContact CD2-CG 3.98Å; L117-M136 HydrophobicContact CD2-SD 3.78Å; L117-M136 HydrophobicContact CG-SD 4.46Å
118E89.6Confident85.6Confident61 Ų6176.8 Ų76.829%0.28539%0.394SS..Hα-helixtrans-62.3-42.3176.5-170-172.1163.300111.8N114 F116 K122N114-E118 WeakPolarHBondContact O-CB 3.36Å; N114-E118 PolarHBondContact O-N 3.39Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 2.95Å; E118-K122 HydrophobicContact CG-CD 4.48Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.31Å; E118-K122 PolarHBondContact O-N 2.87Å; E118-K122 VanDerWaalsContact OE1-CE 3.24Å; E118-K122 WeakPolarHBondContact OE1-CE 3.33Å; E118-K122 IonicContact OE1-NZ 2.65Å; E118-K122 PolarHBondContact OE1-NZ 2.88Å
119K87.9Confident84.1Confident97 Ų9780.3 Ų80.342%0.42242%0.415SS..Hα-helixtrans-62.2-48.7175.8-176.2-175.2176.2-173.90111.4A115 F116 L117 K122 N123A115-K119 WeakPolarHBondContact O-CB 3.44Å; A115-K119 PolarHBondContact O-N 3.32Å; F116-K119 WeakPolarHBondContact O-CB 3.37Å; F116-K119 PolarHBondContact O-N 3.45Å; L117-K119 PolarHBondContact O-N 3.29Å; K119-K122 PolarHBondContact O-N 2.97Å; K119-N123 VanDerWaalsContact O-CG 3.27Å; K119-N123 PolarHBondContact O-N 3.26Å; K119-N123 PolarHBondContact O-ND2 3.33Å
120E86.9Confident82.5Confident47 Ų4779.8 Ų79.822%0.2243%0.429CS..Hα-helixtrans-64.7-41.5179.2-70.7-58.2107.800111.7F116 L117 K122 N123 I124 P134F116-E120 HydrophobicContact CD1-CG 4.15Å; F116-E120 HydrophobicContact CE1-CG 3.68Å; F116-E120 HydrophobicContact CE2-CG 4.13Å; F116-E120 HydrophobicContact CZ-CG 3.66Å; F116-E120 WeakPolarHBondContact O-CG 3.5Å; F116-E120 PolarHBondContact O-N 3.47Å; L117-E120 PolarHBondContact O-N 2.94Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 3.42Å; E120-N123 WeakPolarHBondContact O-CB 3.36Å; E120-N123 PolarHBondContact O-N 2.78Å; E120-N123 PolarHBondContact OE1-ND2 3.06Å; E120-I124 WeakPolarHBondContact O-CD1 3.34Å; E120-I124 VanDerWaalsContact O-CG1 3.22Å; E120-I124 WeakPolarHBondContact O-CG1 3.31Å; E120-I124 PolarHBondContact O-N 2.89Å; E120-P134 HydrophobicContact CB-CB 3.92Å; E120-P134 HydrophobicContact CB-CG 4.14Å; E120-P134 HydrophobicContact CG-CB 4.22Å
121M85.6Confident81Confident104 Ų10486.3 Ų86.351%0.51245%0.453SS..Hα-helixtrans-60.8-39.3174.3-74.2177.6-17500112.5L117 K125L117-M121 VanDerWaalsContact O-CB 3.3Å; L117-M121 WeakPolarHBondContact O-CB 3.48Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.48Å; M121-K125 WeakPolarHBondContact O-CG 3.27Å; M121-K125 PolarHBondContact O-N 3.11Å; M121-K125 VanDerWaalsContact O-N 3.1Å
122K85.4Confident79.8Confident90 Ų9086.7 Ų86.739%0.39146%0.455SS..Hα-helixtrans-65.6-41.6174-74172.5-175.5171.40111.6E118 K119 E120 K125 N126E118-K122 HydrophobicContact CG-CD 4.48Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.31Å; E118-K122 PolarHBondContact O-N 2.87Å; E118-K122 VanDerWaalsContact OE1-CE 3.24Å; E118-K122 WeakPolarHBondContact OE1-CE 3.33Å; E118-K122 IonicContact OE1-NZ 2.65Å; E118-K122 PolarHBondContact OE1-NZ 2.88Å; K119-K122 PolarHBondContact O-N 2.97Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 3.42Å; K122-K125 PolarHBondContact O-N 3.25Å; K122-N126 PolarHBondContact O-N 2.89Å; K122-N126 PolarHBondContact O-ND2 3.34Å
123N82.6Confident79.1Confident64 Ų6493.5 Ų93.534%0.34249%0.487SS..Hα-helixtrans-63.6-40.9177-68.6-19.6000112.2K119 E120 N126 N127K119-N123 VanDerWaalsContact O-CG 3.27Å; K119-N123 PolarHBondContact O-N 3.26Å; K119-N123 PolarHBondContact O-ND2 3.33Å; E120-N123 WeakPolarHBondContact O-CB 3.36Å; E120-N123 PolarHBondContact O-N 2.78Å; E120-N123 PolarHBondContact OE1-ND2 3.06Å; N123-N126 PolarHBondContact O-N 2.91Å; N123-N127 WeakPolarHBondContact O-CB 3.48Å; N123-N127 PolarHBondContact O-N 2.9Å; N123-N127 PolarHBondContact O-ND2 2.96Å
124I81.5Confident78.5Confident51 Ų5191.4 Ų91.426%0.26248%0.482SS..Hα-helixtrans-65.5-39.9176.7-65.5157.2000111E120 N126 K132 P134E120-I124 WeakPolarHBondContact O-CD1 3.34Å; E120-I124 VanDerWaalsContact O-CG1 3.22Å; E120-I124 WeakPolarHBondContact O-CG1 3.31Å; E120-I124 PolarHBondContact O-N 2.89Å; I124-N126 VanDerWaalsContact C-N 3.3Å; I124-N126 PolarHBondContact O-N 3.37Å; I124-K132 WeakPolarHBondContact CD1-O 3.36Å; I124-P134 HydrophobicContact CD1-CG 4.36Å
125K79.1Confident78.1Confident176 Ų17690.6 Ų90.677%0.76548%0.477SS*.Hα-helixtrans-64.2-34.4177.1-74.9178.5-177.7-174.10112.9M121 K122M121-K125 WeakPolarHBondContact O-CG 3.27Å; M121-K125 PolarHBondContact O-N 3.11Å; M121-K125 VanDerWaalsContact O-N 3.1Å; K122-K125 PolarHBondContact O-N 3.25Å
126N77.7Confident78Confident131 Ų13191.5 Ų91.570%0.70148%0.477SS*.Hα-helixtrans-81.6-32.3-178.9-66.2-14.3000112.7K122 N123 I124K122-N126 PolarHBondContact O-N 2.89Å; K122-N126 PolarHBondContact O-ND2 3.34Å; N123-N126 PolarHBondContact O-N 2.91Å; I124-N126 VanDerWaalsContact C-N 3.3Å; I124-N126 PolarHBondContact O-N 3.37Å
127N68.7Low78Confident100 Ų10091.8 Ų91.854%0.53549%0.486SS..  trans-9799.5178.8-67.2-33.8000109N123 T129N123-N127 WeakPolarHBondContact O-CB 3.48Å; N123-N127 PolarHBondContact O-N 2.9Å; N123-N127 PolarHBondContact O-ND2 2.96Å; N127-T129 PolarHBondContact O-N 3.15Å
128S62Low78Confident123 Ų12392.2 Ų92.286%0.8649%0.49SS*.  trans-59.912.717844.30000115.8G130S128-G130 PolarHBondContact O-N 3.45Å
129T58.1Low78.1Confident93 Ų9389.7 Ų89.757%0.57148%0.478SS*.SBendtrans-100.473.7-17647.70000111.8N127N127-T129 PolarHBondContact O-N 3.15Å
130G57Low78.4Confident53 Ų5388.4 Ų88.455%0.54647%0.474SS..  trans75.6153.6161.300000116.2S128 K132S128-G130 PolarHBondContact O-N 3.45Å; G130-K132 PolarHBondContact O-N 2.99Å
131H59.3Low78.7Confident195 Ų19593.6 Ų93.690%0.90349%0.491SS*.  trans-6674.3176.3-69.5-76.5000111.8L133H131-L133 PolarHBondContact O-N 3.12Å
132K67.3Low78.9Confident146 Ų14693.3 Ų93.364%0.63549%0.488SS*.PPolyproline II helixtrans-75.3120.8170-66.7-176.8-176.7176.20108.4I124 G130I124-K132 WeakPolarHBondContact CD1-O 3.36Å; G130-K132 PolarHBondContact O-N 2.99Å
133L76.1Confident79.2Confident163 Ų16389.1 Ų89.185%0.85347%0.47SS*.PPolyproline II helixtrans-66.1139.6169.8-72.4161.6000108.7H131 D135H131-L133 PolarHBondContact O-N 3.12Å; L133-D135 PolarHBondContact O-N 2.83Å
134P80.2Confident79.6Confident32 Ų3290 Ų9021%0.20847%0.474CS..PPolyproline II helixtrans-53.4127.2174.2-26.734.8000111.3F116 L117 E120 I124 M136F116-P134 HydrophobicContact CE1-CB 4.49Å; L117-P134 HydrophobicContact CD2-CB 3.88Å; L117-P134 HydrophobicContact CD2-CG 3.98Å; E120-P134 HydrophobicContact CB-CB 3.92Å; E120-P134 HydrophobicContact CB-CG 4.14Å; E120-P134 HydrophobicContact CG-CB 4.22Å; I124-P134 HydrophobicContact CD1-CG 4.36Å; P134-M136 VanDerWaalsContact C-N 3.34Å; P134-M136 PolarHBondContact O-N 3.43Å
135D83.9Confident80.1Confident85 Ų8594.5 Ų94.546%0.45549%0.494SS..  trans-74.988.8177.7-173.5-9.2000110.2F116 L133 G137 V138F116-D135 WeakPolarHBondContact CZ-O 3.49Å; L133-D135 PolarHBondContact O-N 2.83Å; D135-G137 PolarHBondContact O-N 3.26Å; D135-G137 WeakPolarHBondContact OD1-CA 3.12Å; D135-G137 PolarHBondContact OD1-N 2.68Å; D135-V138 HydrophobicContact CB-CG2 4.18Å; D135-V138 PolarHBondContact O-N 3.32Å; D135-V138 PolarHBondContact OD1-N 2.91Å; D135-V138 WeakPolarHBondContact OD2-CG2 3.43Å
136M89.1Confident80.7Confident50 Ų5088.4 Ų88.425%0.24648%0.477CS..Hα-helixtrans-60.9-22.5176.6-69.3-55-5100112.9K113 F116 L117 P134 F139 H140K113-M136 HydrophobicContact CD-CE 4.38Å; K113-M136 HydrophobicContact CG-CE 4.09Å; F116-M136 HydrophobicContact CD1-SD 4.35Å; F116-M136 HydrophobicContact CE1-SD 4.31Å; L117-M136 HydrophobicContact CD2-SD 3.78Å; L117-M136 HydrophobicContact CG-SD 4.46Å; P134-M136 VanDerWaalsContact C-N 3.34Å; P134-M136 PolarHBondContact O-N 3.43Å; M136-F139 HydrophobicContact CE-CB 4.35Å; M136-F139 HydrophobicContact CE-CD1 3.53Å; M136-F139 HydrophobicContact CE-CE1 4.18Å; M136-F139 HydrophobicContact CE-CG 4.18Å; M136-F139 PolarHBondContact O-N 3.32Å; M136-H140 PolarHBondContact O-CD2 3.12Å; M136-H140 VanDerWaalsContact O-CG 3.27Å; M136-H140 PolarHBondContact O-N 2.8Å
137G90.9Very high81.3Confident29 Ų2982.3 Ų82.330%0.29944%0.444SS..Hα-helixtrans-67.7-35176.800000112.7D135 R141D135-G137 PolarHBondContact O-N 3.26Å; D135-G137 WeakPolarHBondContact OD1-CA 3.12Å; D135-G137 PolarHBondContact OD1-N 2.68Å; G137-R141 WeakPolarHBondContact O-CG 3.21Å; G137-R141 PolarHBondContact O-N 2.91Å; G137-R141 VanDerWaalsContact O-N 3.15Å; G137-R141 PolarHBondContact O-NE 2.62Å
138V89.4Confident82.3Confident47 Ų4784 Ų8429%0.28545%0.447SS..Hα-helixtrans-66.5-49173.5175.30000110D135 H140 R141 E142D135-V138 HydrophobicContact CB-CG2 4.18Å; D135-V138 PolarHBondContact O-N 3.32Å; D135-V138 PolarHBondContact OD1-N 2.91Å; D135-V138 WeakPolarHBondContact OD2-CG2 3.43Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 2.98Å; V138-R141 PolarHBondContact O-N 3.33Å; V138-E142 HydrophobicContact CG1-CG 4.38Å; V138-E142 WeakPolarHBondContact O-CG 3.37Å; V138-E142 PolarHBondContact O-N 3.32Å
139F91.9Very high83.7Confident7 Ų786.7 Ų86.73%0.03144%0.443CS..Hα-helixtrans-53.7-48.9175.5168.1-104.9000112.2Y109 A112 K113 F116 M136 R141 E142 F143Y109-F139 HydrophobicContact CD2-CE1 4.28Å; Y109-F139 HydrophobicContact CD2-CZ 4.23Å; Y109-F139 AromaticContact CE2-CE1 3.6Å; Y109-F139 HydrophobicContact CE2-CE1 3.6Å; Y109-F139 HydrophobicContact CE2-CZ 4.01Å; A112-F139 HydrophobicContact CB-CE2 4.06Å; A112-F139 HydrophobicContact CB-CZ 4.3Å; K113-F139 VanDerWaalsContact CA-CZ 3.5Å; K113-F139 HydrophobicContact CB-CE1 3.98Å; K113-F139 HydrophobicContact CB-CE2 4.4Å; K113-F139 HydrophobicContact CB-CZ 3.71Å; K113-F139 HydrophobicContact CG-CE1 4.23Å; K113-F139 HydrophobicContact CG-CZ 4.42Å; F116-F139 HydrophobicContact CB-CD2 3.6Å; F116-F139 HydrophobicContact CB-CE2 4.14Å; F116-F139 HydrophobicContact CB-CG 4.29Å; F116-F139 HydrophobicContact CD1-CB 3.63Å; F116-F139 HydrophobicContact CD1-CD2 4.21Å; F116-F139 HydrophobicContact CD1-CG 4.06Å; F116-F139 HydrophobicContact CD2-CB 3.87Å; F116-F139 HydrophobicContact CD2-CD2 4.02Å; F116-F139 HydrophobicContact CD2-CG 4.38Å; F116-F139 HydrophobicContact CE1-CB 3.62Å; F116-F139 HydrophobicContact CE2-CB 3.86Å; F116-F139 HydrophobicContact CG-CB 3.75Å; F116-F139 AromaticContact CG-CD2 3.68Å; F116-F139 HydrophobicContact CG-CD2 3.68Å; F116-F139 AromaticContact CG-CG 3.98Å; F116-F139 HydrophobicContact CG-CG 3.98Å; F116-F139 HydrophobicContact CZ-CB 3.74Å; M136-F139 HydrophobicContact CE-CB 4.35Å; M136-F139 HydrophobicContact CE-CD1 3.53Å; M136-F139 HydrophobicContact CE-CE1 4.18Å; M136-F139 HydrophobicContact CE-CG 4.18Å; M136-F139 PolarHBondContact O-N 3.32Å; F139-R141 PolarHBondContact O-N 3.05Å; F139-E142 PolarHBondContact O-N 3.49Å; F139-F143 HydrophobicContact CE2-CB 4.34Å; F139-F143 HydrophobicContact CE2-CD2 4.2Å; F139-F143 HydrophobicContact CZ-CB 4.29Å; F139-F143 HydrophobicContact CZ-CD2 4.05Å; F139-F143 HydrophobicContact CZ-CG 4.24Å; F139-F143 WeakPolarHBondContact O-CB 3.49Å; F139-F143 PolarHBondContact O-N 3.16Å
140H92.6Very high85.2Confident71 Ų7184.2 Ų84.233%0.32943%0.425SS..Hα-helixtrans-62.8-42.2-178.7-69-39.8000112.2Y109 M136 V138 F143 L144Y109-H140 PolarHBondContact OH-CE1 3.48Å; M136-H140 PolarHBondContact O-CD2 3.12Å; M136-H140 VanDerWaalsContact O-CG 3.27Å; M136-H140 PolarHBondContact O-N 2.8Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 2.98Å; H140-F143 PolarHBondContact O-N 2.83Å; H140-L144 VanDerWaalsContact O-CB 3.31Å; H140-L144 WeakPolarHBondContact O-CB 3.24Å; H140-L144 WeakPolarHBondContact O-CG 3.43Å; H140-L144 PolarHBondContact O-N 3.31Å
141R93.1Very high86.8Confident156 Ų15684.9 Ų84.959%0.58941%0.411SS*.Hα-helixtrans-61.4-52.9177.4-77.9-178.6-81-160.8-0.4111.3G137 V138 F139 F143 L144 E145G137-R141 WeakPolarHBondContact O-CG 3.21Å; G137-R141 PolarHBondContact O-N 2.91Å; G137-R141 VanDerWaalsContact O-N 3.15Å; G137-R141 PolarHBondContact O-NE 2.62Å; V138-R141 PolarHBondContact O-N 3.33Å; F139-R141 PolarHBondContact O-N 3.05Å; R141-F143 PolarHBondContact O-N 2.87Å; R141-L144 PolarHBondContact O-N 3.39Å; R141-E145 WeakPolarHBondContact O-CG 3.19Å; R141-E145 PolarHBondContact O-N 3.49Å
142E91.7Very high88.3Confident97 Ų9781.2 Ų81.245%0.45340%0.396SS..Hα-helixtrans-56.4-52.5177.3-69.5-179.4177.800110Y31 V138 F139 L144 E145 A146Y31-E142 PolarHBondContact OH-O 3.47Å; V138-E142 HydrophobicContact CG1-CG 4.38Å; V138-E142 WeakPolarHBondContact O-CG 3.37Å; V138-E142 PolarHBondContact O-N 3.32Å; F139-E142 PolarHBondContact O-N 3.49Å; E142-L144 PolarHBondContact O-N 3.04Å; E142-E145 WeakPolarHBondContact O-CB 3.31Å; E142-E145 PolarHBondContact O-N 2.88Å; E142-A146 PolarHBondContact O-N 3.43Å
143F91.2Very high89.5Confident3 Ų378 Ų781%0.01339%0.385CS..Hα-helixtrans-52.8-43.9179.7-168.7-94.5000111.8M29 Y31 Y105 Y109 A112 F139 H140 R141 N147M29-F143 HydrophobicContact CE-CE2 3.93Å; M29-F143 HydrophobicContact CE-CZ 4.26Å; Y31-F143 AromaticContact CE2-CD2 3.9Å; Y31-F143 HydrophobicContact CE2-CD2 3.9Å; Y31-F143 HydrophobicContact CE2-CE2 4.38Å; Y31-F143 WeakPolarHBondContact OH-CA 3.33Å; Y31-F143 PolarHBondContact OH-N 3.33Å; Y105-F143 HydrophobicContact CE1-CE1 4.3Å; Y105-F143 HydrophobicContact CE2-CE1 4.25Å; Y105-F143 AromaticContact CZ-CE1 3.74Å; Y105-F143 WeakPolarHBondContact OH-CE1 3.4Å; Y109-F143 AromaticContact CD2-CD1 3.93Å; Y109-F143 HydrophobicContact CD2-CD1 3.93Å; Y109-F143 HydrophobicContact CD2-CD2 4.49Å; Y109-F143 AromaticContact CD2-CE1 3.59Å; Y109-F143 HydrophobicContact CD2-CE1 3.59Å; Y109-F143 HydrophobicContact CD2-CE2 4.19Å; Y109-F143 HydrophobicContact CD2-CG 4.37Å; Y109-F143 AromaticContact CD2-CZ 3.74Å; Y109-F143 HydrophobicContact CD2-CZ 3.74Å; Y109-F143 HydrophobicContact CE2-CD1 4.37Å; Y109-F143 HydrophobicContact CE2-CE1 4.42Å; Y109-F143 HydrophobicContact CG-CE1 4.47Å; Y109-F143 HydrophobicContact CG-CZ 4.31Å; A112-F143 HydrophobicContact CB-CD2 4.04Å; A112-F143 HydrophobicContact CB-CE2 3.85Å; F139-F143 HydrophobicContact CE2-CB 4.34Å; F139-F143 HydrophobicContact CE2-CD2 4.2Å; F139-F143 HydrophobicContact CZ-CB 4.29Å; F139-F143 HydrophobicContact CZ-CD2 4.05Å; F139-F143 HydrophobicContact CZ-CG 4.24Å; F139-F143 WeakPolarHBondContact O-CB 3.49Å; F139-F143 PolarHBondContact O-N 3.16Å; H140-F143 PolarHBondContact O-N 2.83Å; R141-F143 PolarHBondContact O-N 2.87Å; F143-N147 WeakPolarHBondContact CD2-ND2 3.32Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.36Å; F143-N147 VanDerWaalsContact CE2-ND2 3.26Å; F143-N147 WeakPolarHBondContact CE2-ND2 3.42Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.4Å; F143-N147 WeakPolarHBondContact O-CB 3.44Å; F143-N147 PolarHBondContact O-N 3.37Å; F143-N147 VanDerWaalsContact O-N 3.15Å; F143-N147 PolarHBondContact O-ND2 3.42Å
144L90.6Very high90.2Very high81 Ų8171 Ų7142%0.42435%0.348SS..Hα-helixtrans-69.6-37.2177.9-70.5172.2000112.2H140 R141 E142 K148 R151H140-L144 VanDerWaalsContact O-CB 3.31Å; H140-L144 WeakPolarHBondContact O-CB 3.24Å; H140-L144 WeakPolarHBondContact O-CG 3.43Å; H140-L144 PolarHBondContact O-N 3.31Å; R141-L144 PolarHBondContact O-N 3.39Å; E142-L144 PolarHBondContact O-N 3.04Å; L144-K148 PolarHBondContact O-N 3.03Å; L144-R151 PolarHBondContact O-NH1 3.15Å; L144-R151 PolarHBondContact O-NH2 3.01Å
145E92.6Very high90.9Very high146 Ų14672.3 Ų72.368%0.68235%0.354SS*.Hα-helixtrans-66.5-49.7177.8-74.3-179.5178.100111.9R141 E142 N147 K148R141-E145 WeakPolarHBondContact O-CG 3.19Å; R141-E145 PolarHBondContact O-N 3.49Å; E142-E145 WeakPolarHBondContact O-CB 3.31Å; E142-E145 PolarHBondContact O-N 2.88Å; E145-N147 VanDerWaalsContact C-N 3.34Å; E145-N147 PolarHBondContact O-N 2.71Å; E145-K148 WeakPolarHBondContact O-CB 3.39Å; E145-K148 PolarHBondContact O-N 3.05Å
146A90.8Very high91.4Very high48 Ų4872.2 Ų72.240%0.39735%0.353SS..Hα-helixtrans-68.5-32.8-177.900000113Y31 E142 K148Y31-A146 HydrophobicContact CD2-CB 4.03Å; Y31-A146 HydrophobicContact CE1-CB 4.28Å; Y31-A146 HydrophobicContact CE2-CB 3.25Å; Y31-A146 WeakPolarHBondContact OH-CB 3.32Å; E142-A146 PolarHBondContact O-N 3.43Å; A146-K148 VanDerWaalsContact C-N 3.3Å; A146-K148 PolarHBondContact O-N 2.97Å
147N90.1Very high91.6Very high3 Ų373.7 Ų73.72%0.01636%0.358CS..THydrogen-bonded Turntrans-86.14.6177.1-67.1-72.1000113.5F143 E145 K149 Q150 R151F143-N147 WeakPolarHBondContact CD2-ND2 3.32Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.36Å; F143-N147 VanDerWaalsContact CE2-ND2 3.26Å; F143-N147 WeakPolarHBondContact CE2-ND2 3.42Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.4Å; F143-N147 WeakPolarHBondContact O-CB 3.44Å; F143-N147 PolarHBondContact O-N 3.37Å; F143-N147 VanDerWaalsContact O-N 3.15Å; F143-N147 PolarHBondContact O-ND2 3.42Å; E145-N147 VanDerWaalsContact C-N 3.34Å; E145-N147 PolarHBondContact O-N 2.71Å; N147-K149 PolarHBondContact O-N 3.47Å; N147-Q150 PolarHBondContact O-N 2.91Å; N147-Q150 PolarHBondContact OD1-OE1 3.09Å; N147-R151 VanDerWaalsContact C-NH1 3.3Å; N147-R151 WeakPolarHBondContact O-CG 3.39Å; N147-R151 PolarHBondContact O-N 3.47Å; N147-R151 PolarHBondContact O-NH1 3.42Å
148K91.1Very high91.7Very high135 Ų13575.9 Ų75.959%0.58736%0.357SS*.Hα-helixtrans-54.8-50.2-175.7-176177.4-179.4178.10112L144 E145 A146 Q150 R151 M152L144-K148 PolarHBondContact O-N 3.03Å; E145-K148 WeakPolarHBondContact O-CB 3.39Å; E145-K148 PolarHBondContact O-N 3.05Å; A146-K148 VanDerWaalsContact C-N 3.3Å; A146-K148 PolarHBondContact O-N 2.97Å; K148-Q150 VanDerWaalsContact C-N 3.35Å; K148-Q150 PolarHBondContact O-N 2.81Å; K148-R151 PolarHBondContact O-N 3.41Å; K148-M152 VanDerWaalsContact O-CG 3.29Å; K148-M152 WeakPolarHBondContact O-CG 3.42Å; K148-M152 PolarHBondContact O-N 3.36Å
149K91.6Very high91.9Very high180 Ų18080.8 Ų80.878%0.78337%0.372SS*.Hα-helixtrans-60.3-43-179.3-174.9178.7178.8179.50112.4N147 M152 D153N147-K149 PolarHBondContact O-N 3.47Å; K149-M152 PolarHBondContact O-N 2.84Å; K149-D153 PolarHBondContact O-N 3.32Å
150Q89.1Confident92.1Very high42 Ų4288.4 Ų88.420%0.19640%0.4CS..Hα-helixtrans-65.2-44.5178.6-178-178.7-800111.6F26 Y101 N147 K148 M152 D153 F154F26-Q150 VanDerWaalsContact CE1-NE2 3.31Å; Y101-Q150 HydrophobicContact CE2-CG 4.49Å; N147-Q150 PolarHBondContact O-N 2.91Å; N147-Q150 PolarHBondContact OD1-OE1 3.09Å; K148-Q150 VanDerWaalsContact C-N 3.35Å; K148-Q150 PolarHBondContact O-N 2.81Å; Q150-M152 VanDerWaalsContact C-N 3.27Å; Q150-M152 PolarHBondContact O-N 3.28Å; Q150-D153 PolarHBondContact O-N 3.05Å; Q150-F154 WeakPolarHBondContact O-CB 3.4Å; Q150-F154 PolarHBondContact O-N 3.39Å
151R89.3Confident92.1Very high66 Ų6686.5 Ų86.525%0.24940%0.395CS..Hα-helixtrans-60.5-38.2175.2-69.9-163.3-50.9-75.9-0.6111.9L144 N147 K148 F154 N155L144-R151 PolarHBondContact O-NH1 3.15Å; L144-R151 PolarHBondContact O-NH2 3.01Å; N147-R151 VanDerWaalsContact C-NH1 3.3Å; N147-R151 WeakPolarHBondContact O-CG 3.39Å; N147-R151 PolarHBondContact O-N 3.47Å; N147-R151 PolarHBondContact O-NH1 3.42Å; K148-R151 PolarHBondContact O-N 3.41Å; R151-F154 PolarHBondContact O-N 2.88Å; R151-N155 WeakPolarHBondContact O-CB 3.2Å; R151-N155 VanDerWaalsContact O-CG 3.27Å; R151-N155 PolarHBondContact O-N 3.41Å; R151-N155 PolarHBondContact O-ND2 3.31Å
152M92.6Very high92.2Very high119 Ų11982 Ų8259%0.58638%0.382SS*.Hα-helixtrans-65.4-45.1175.8-65.6-53.5-66.100112.2K148 K149 Q150 N155 L156K148-M152 VanDerWaalsContact O-CG 3.29Å; K148-M152 WeakPolarHBondContact O-CG 3.42Å; K148-M152 PolarHBondContact O-N 3.36Å; K149-M152 PolarHBondContact O-N 2.84Å; Q150-M152 VanDerWaalsContact C-N 3.27Å; Q150-M152 PolarHBondContact O-N 3.28Å; M152-N155 PolarHBondContact O-N 3.5Å; M152-L156 WeakPolarHBondContact O-CB 3.24Å; M152-L156 PolarHBondContact O-N 3.3Å
153D92Very high92.4Very high77 Ų7782.2 Ų82.241%0.41239%0.39SS..Hα-helixtrans-62.4-42.7175.8-178.164.9000111.8K149 Q150 L156 K157K149-D153 PolarHBondContact O-N 3.32Å; Q150-D153 PolarHBondContact O-N 3.05Å; D153-L156 PolarHBondContact O-N 2.94Å; D153-K157 WeakPolarHBondContact O-CG 3.24Å; D153-K157 PolarHBondContact O-N 2.85Å; D153-K157 IonicContact OD1-NZ 3.67Å; D153-K157 WeakPolarHBondContact OD2-CE 3.44Å; D153-K157 IonicContact OD2-NZ 2.9Å; D153-K157 PolarHBondContact OD2-NZ 3.23Å
154F91.2Very high92.7Very high16 Ų1685 Ų857%0.0740%0.4CS..Hα-helixtrans-57.5-54.5173.6167.2-98.9000111.4W97 L98 Y101 W102 Q150 R151 L156 K157 W158W97-F154 AromaticContact CH2-CD2 3.44Å; W97-F154 HydrophobicContact CH2-CD2 3.44Å; W97-F154 VanDerWaalsContact CH2-CD2 3.44Å; W97-F154 AromaticContact CH2-CE2 3.56Å; W97-F154 HydrophobicContact CH2-CE2 3.56Å; W97-F154 HydrophobicContact CH2-CG 4.44Å; W97-F154 AromaticContact CZ2-CD2 3.94Å; W97-F154 HydrophobicContact CZ2-CD2 3.94Å; W97-F154 HydrophobicContact CZ2-CE2 4.34Å; W97-F154 HydrophobicContact CZ3-CD2 4.2Å; W97-F154 AromaticContact CZ3-CE2 3.83Å; W97-F154 HydrophobicContact CZ3-CE2 3.83Å; L98-F154 HydrophobicContact CD1-CE2 3.9Å; L98-F154 HydrophobicContact CD1-CZ 3.71Å; Y101-F154 AromaticContact CD1-CD2 3.38Å; Y101-F154 HydrophobicContact CD1-CD2 3.38Å; Y101-F154 AromaticContact CD1-CE2 3.36Å; Y101-F154 HydrophobicContact CD1-CE2 3.36Å; Y101-F154 HydrophobicContact CD1-CG 4.17Å; Y101-F154 HydrophobicContact CD1-CZ 4.14Å; Y101-F154 AromaticContact CD2-CD2 3.69Å; Y101-F154 HydrophobicContact CD2-CD2 3.69Å; Y101-F154 HydrophobicContact CD2-CE2 4.36Å; Y101-F154 HydrophobicContact CD2-CG 4.45Å; Y101-F154 HydrophobicContact CE1-CB 4.25Å; Y101-F154 HydrophobicContact CE1-CD1 4.15Å; Y101-F154 AromaticContact CE1-CD2 3.31Å; Y101-F154 HydrophobicContact CE1-CD2 3.31Å; Y101-F154 HydrophobicContact CE1-CE1 4.4Å; Y101-F154 AromaticContact CE1-CE2 3.61Å; Y101-F154 HydrophobicContact CE1-CE2 3.61Å; Y101-F154 AromaticContact CE1-CG 3.61Å; Y101-F154 HydrophobicContact CE1-CG 3.61Å; Y101-F154 HydrophobicContact CE1-CZ 4.15Å; Y101-F154 HydrophobicContact CE2-CB 3.77Å; Y101-F154 AromaticContact CE2-CD2 3.6Å; Y101-F154 HydrophobicContact CE2-CD2 3.6Å; Y101-F154 AromaticContact CE2-CG 3.91Å; Y101-F154 HydrophobicContact CE2-CG 3.91Å; Y101-F154 AromaticContact CG-CD2 3.58Å; Y101-F154 HydrophobicContact CG-CD2 3.58Å; Y101-F154 AromaticContact CG-CE2 3.78Å; Y101-F154 HydrophobicContact CG-CE2 3.78Å; Y101-F154 AromaticContact CZ-CD2 3.42Å; Y101-F154 VanDerWaalsContact CZ-CD2 3.42Å; Y101-F154 AromaticContact CZ-CG 3.46Å; Y101-F154 VanDerWaalsContact CZ-CG 3.46Å; Y101-F154 WeakPolarHBondContact OH-CB 3.48Å; W102-F154 AromaticContact NE1-CZ 3.79Å; Q150-F154 WeakPolarHBondContact O-CB 3.4Å; Q150-F154 PolarHBondContact O-N 3.39Å; R151-F154 PolarHBondContact O-N 2.88Å; F154-L156 VanDerWaalsContact C-N 3.28Å; F154-L156 PolarHBondContact O-N 3.1Å; F154-K157 PolarHBondContact O-N 3.47Å; F154-K157 VanDerWaalsContact O-N 3.16Å; F154-W158 HydrophobicContact CZ-CB 4.48Å; F154-W158 WeakPolarHBondContact O-CB 3.3Å; F154-W158 PolarHBondContact O-N 2.89Å
155N93.7Very high92.9Very high61 Ų6182.1 Ų82.133%0.32639%0.385SS..Hα-helixtrans-59.1-42.2-178.9-77.5-18.2000111.1R151 M152 K157 W158 Y159R151-N155 WeakPolarHBondContact O-CB 3.2Å; R151-N155 VanDerWaalsContact O-CG 3.27Å; R151-N155 PolarHBondContact O-N 3.41Å; R151-N155 PolarHBondContact O-ND2 3.31Å; M152-N155 PolarHBondContact O-N 3.5Å; N155-K157 PolarHBondContact O-N 3.45Å; N155-W158 PolarHBondContact O-N 3.3Å; N155-Y159 HydrophobicContact CB-CD2 4.39Å; N155-Y159 HydrophobicContact CB-CE2 4.23Å; N155-Y159 WeakPolarHBondContact O-CD2 3.01Å; N155-Y159 PolarHBondContact O-N 2.88Å
156L94.5Very high93.1Very high83 Ų8378.9 Ų78.944%0.43538%0.375SS..Hα-helixtrans-60.8-45.3177.6-178.662.1000112M152 D153 F154 R160M152-L156 WeakPolarHBondContact O-CB 3.24Å; M152-L156 PolarHBondContact O-N 3.3Å; D153-L156 PolarHBondContact O-N 2.94Å; F154-L156 VanDerWaalsContact C-N 3.28Å; F154-L156 PolarHBondContact O-N 3.1Å; L156-R160 WeakPolarHBondContact O-CB 3.31Å; L156-R160 VanDerWaalsContact O-CG 3.27Å; L156-R160 WeakPolarHBondContact O-CG 3.25Å; L156-R160 PolarHBondContact O-N 3.26Å
157K94Very high93.4Very high81 Ų8182.8 Ų82.835%0.35238%0.381SS..Hα-helixtrans-65.7-41.6176.4-75.2172.9178.2160.90112.1W97 D153 F154 N155 R160 S161W97-K157 HydrophobicContact CH2-CB 3.78Å; W97-K157 HydrophobicContact CZ2-CB 3.88Å; W97-K157 HydrophobicContact CZ2-CD 4.07Å; D153-K157 WeakPolarHBondContact O-CG 3.24Å; D153-K157 PolarHBondContact O-N 2.85Å; D153-K157 IonicContact OD1-NZ 3.67Å; D153-K157 WeakPolarHBondContact OD2-CE 3.44Å; D153-K157 IonicContact OD2-NZ 2.9Å; D153-K157 PolarHBondContact OD2-NZ 3.23Å; F154-K157 PolarHBondContact O-N 3.47Å; F154-K157 VanDerWaalsContact O-N 3.16Å; N155-K157 PolarHBondContact O-N 3.45Å; K157-R160 PolarHBondContact O-N 2.7Å; K157-S161 WeakPolarHBondContact O-CB 3.42Å; K157-S161 PolarHBondContact O-N 3.37Å; K157-S161 PolarHBondContact O-OG 3.01Å
158W91.6Very high93.7Very high75 Ų7582.8 Ų82.828%0.28438%0.381SS..Hα-helixtrans-58.8-52.8176175.5-113.9000111.1T94 W97 L98 F154 N155 R160 S161 I162T94-W158 HydrophobicContact CG2-CE3 4.24Å; T94-W158 HydrophobicContact CG2-CZ3 3.8Å; W97-W158 HydrophobicContact CH2-CB 4.46Å; W97-W158 HydrophobicContact CZ3-CB 4.33Å; W97-W158 HydrophobicContact CZ3-CE3 4.11Å; L98-W158 HydrophobicContact CB-CZ3 4.39Å; L98-W158 HydrophobicContact CD1-CE3 4.16Å; L98-W158 HydrophobicContact CD1-CZ3 4.07Å; L98-W158 HydrophobicContact CD2-CH2 3.94Å; L98-W158 HydrophobicContact CD2-CZ3 3.9Å; L98-W158 HydrophobicContact CG-CZ3 4.34Å; F154-W158 HydrophobicContact CZ-CB 4.48Å; F154-W158 WeakPolarHBondContact O-CB 3.3Å; F154-W158 PolarHBondContact O-N 2.89Å; N155-W158 PolarHBondContact O-N 3.3Å; W158-R160 VanDerWaalsContact C-N 3.34Å; W158-R160 PolarHBondContact O-N 2.96Å; W158-S161 PolarHBondContact O-N 3.4Å; W158-S161 VanDerWaalsContact O-N 3.11Å; W158-I162 HydrophobicContact CD2-CD1 4.48Å; W158-I162 HydrophobicContact CD2-CG1 3.97Å; W158-I162 HydrophobicContact CE3-CG1 4.36Å; W158-I162 HydrophobicContact CG-CG1 4.5Å; W158-I162 HydrophobicContact CH2-CD1 3.71Å; W158-I162 HydrophobicContact CH2-CG1 4.25Å; W158-I162 HydrophobicContact CZ2-CD1 3.62Å; W158-I162 HydrophobicContact CZ2-CG1 3.81Å; W158-I162 HydrophobicContact CZ3-CD1 4.17Å; W158-I162 WeakPolarHBondContact O-CG1 3.24Å; W158-I162 PolarHBondContact O-N 3.31Å
159Y94.9Very high93.9Very high150 Ų15078 Ų7859%0.58836%0.364SS*.Hα-helixtrans-60-41.9178.1-75.3-59000112.5N155 S161 I162 V163N155-Y159 HydrophobicContact CB-CD2 4.39Å; N155-Y159 HydrophobicContact CB-CE2 4.23Å; N155-Y159 WeakPolarHBondContact O-CD2 3.01Å; N155-Y159 PolarHBondContact O-N 2.88Å; Y159-S161 VanDerWaalsContact C-N 3.31Å; Y159-S161 PolarHBondContact O-N 3.23Å; Y159-I162 PolarHBondContact O-N 2.96Å; Y159-V163 WeakPolarHBondContact O-CB 3.39Å; Y159-V163 VanDerWaalsContact O-CG2 3.24Å; Y159-V163 WeakPolarHBondContact O-CG2 3.36Å; Y159-V163 PolarHBondContact O-N 2.89Å
160R95.3Very high94.1Very high166 Ų16673.7 Ų73.763%0.62635%0.349SS*.Hα-helixtrans-59.6-42.7175.1-75.8173.4176-178.9-0.4112.2L156 K157 W158 Y164L156-R160 WeakPolarHBondContact O-CB 3.31Å; L156-R160 VanDerWaalsContact O-CG 3.27Å; L156-R160 WeakPolarHBondContact O-CG 3.25Å; L156-R160 PolarHBondContact O-N 3.26Å; K157-R160 PolarHBondContact O-N 2.7Å; W158-R160 VanDerWaalsContact C-N 3.34Å; W158-R160 PolarHBondContact O-N 2.96Å; R160-Y164 WeakPolarHBondContact O-CB 3.37Å; R160-Y164 PolarHBondContact O-N 3.33Å
161S93.5Very high94.4Very high32 Ų3274.3 Ų74.322%0.22435%0.353CS..Hα-helixtrans-67.1-44.3179.3-51.80000111.1K157 W158 Y159 Y164 I165K157-S161 WeakPolarHBondContact O-CB 3.42Å; K157-S161 PolarHBondContact O-N 3.37Å; K157-S161 PolarHBondContact O-OG 3.01Å; W158-S161 PolarHBondContact O-N 3.4Å; W158-S161 VanDerWaalsContact O-N 3.11Å; Y159-S161 VanDerWaalsContact C-N 3.31Å; Y159-S161 PolarHBondContact O-N 3.23Å; S161-Y164 PolarHBondContact O-N 3.07Å; S161-I165 VanDerWaalsContact O-CG1 3.31Å; S161-I165 WeakPolarHBondContact O-CG1 3.41Å; S161-I165 PolarHBondContact O-N 3.45Å
162I95Very high94.7Very high60 Ų6071.5 Ų71.531%0.30834%0.343SS..Hα-helixtrans-62.4-46.2176.5-67.8-57.3000111.7W158 Y159 Y164 I165 V166W158-I162 HydrophobicContact CD2-CD1 4.48Å; W158-I162 HydrophobicContact CD2-CG1 3.97Å; W158-I162 HydrophobicContact CE3-CG1 4.36Å; W158-I162 HydrophobicContact CG-CG1 4.5Å; W158-I162 HydrophobicContact CH2-CD1 3.71Å; W158-I162 HydrophobicContact CH2-CG1 4.25Å; W158-I162 HydrophobicContact CZ2-CD1 3.62Å; W158-I162 HydrophobicContact CZ2-CG1 3.81Å; W158-I162 HydrophobicContact CZ3-CD1 4.17Å; W158-I162 WeakPolarHBondContact O-CG1 3.24Å; W158-I162 PolarHBondContact O-N 3.31Å; Y159-I162 PolarHBondContact O-N 2.96Å; I162-Y164 VanDerWaalsContact C-N 3.26Å; I162-Y164 PolarHBondContact O-N 3.04Å; I162-I165 PolarHBondContact O-N 3.42Å; I162-V166 HydrophobicContact CG2-CG2 4.39Å; I162-V166 VanDerWaalsContact O-CG2 3.31Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3Å
163V96.6Very high94.7Very high103 Ų10370 Ų7062%0.62434%0.338SS*.Hα-helixtrans-58.6-41.7176.6169.10000110.8Y159 V166 Y167Y159-V163 WeakPolarHBondContact O-CB 3.39Å; Y159-V163 VanDerWaalsContact O-CG2 3.24Å; Y159-V163 WeakPolarHBondContact O-CG2 3.36Å; Y159-V163 PolarHBondContact O-N 2.89Å; V163-V166 PolarHBondContact O-N 2.97Å; V163-Y167 WeakPolarHBondContact O-CB 3.34Å; V163-Y167 PolarHBondContact O-N 3.49Å
164Y96Very high94.9Very high60 Ų6071.1 Ų71.124%0.23534%0.343CS..Hα-helixtrans-67.9-41.4178.2-173.3-121.6000113I12 K86 V90 R160 S161 I162 Y167 L168I12-Y164 HydrophobicContact CD1-CE1 4.36Å; K86-Y164 VanDerWaalsContact CE-OH 3.23Å; K86-Y164 WeakPolarHBondContact CE-OH 3.37Å; V90-Y164 HydrophobicContact CG1-CD1 3.7Å; V90-Y164 HydrophobicContact CG1-CE1 3.95Å; V90-Y164 HydrophobicContact CG2-CD1 4.41Å; V90-Y164 HydrophobicContact CG2-CE1 3.8Å; R160-Y164 WeakPolarHBondContact O-CB 3.37Å; R160-Y164 PolarHBondContact O-N 3.33Å; S161-Y164 PolarHBondContact O-N 3.07Å; I162-Y164 VanDerWaalsContact C-N 3.26Å; I162-Y164 PolarHBondContact O-N 3.04Å; Y164-Y167 HydrophobicContact CD2-CD1 4.21Å; Y164-Y167 HydrophobicContact CE2-CD1 4.2Å; Y164-Y167 WeakPolarHBondContact O-CB 3.23Å; Y164-Y167 PolarHBondContact O-N 3.38Å; Y164-L168 HydrophobicContact CD1-CD1 4.04Å; Y164-L168 HydrophobicContact CE1-CD1 3.56Å; Y164-L168 HydrophobicContact CE1-CG 4.3Å; Y164-L168 HydrophobicContact CE2-CD1 4.38Å; Y164-L168 HydrophobicContact CE2-CG 4.25Å; Y164-L168 WeakPolarHBondContact O-CG 3.26Å; Y164-L168 PolarHBondContact O-N 3.44Å
165I95.5Very high94.9Very high22 Ų2273.9 Ų73.911%0.11336%0.356CS..Hα-helixtrans-60.2-45.7174.1-73.9168.4000110.7Y87 V90 T94 S161 I162 L168 S169Y87-I165 HydrophobicContact CE2-CG2 3.77Å; V90-I165 HydrophobicContact CG1-CG1 3.78Å; T94-I165 HydrophobicContact CG2-CD1 3.95Å; S161-I165 VanDerWaalsContact O-CG1 3.31Å; S161-I165 WeakPolarHBondContact O-CG1 3.41Å; S161-I165 PolarHBondContact O-N 3.45Å; I162-I165 PolarHBondContact O-N 3.42Å; I165-L168 PolarHBondContact O-N 3.47Å; I165-S169 WeakPolarHBondContact O-CB 2.99Å; I165-S169 PolarHBondContact O-N 3.3Å
166V97.3Very high94.8Very high77 Ų7775.1 Ų75.147%0.46736%0.36SS..Hα-helixtrans-62.1-44.9177.8170.90000110.6I162 V163 L168 S169 I170I162-V166 HydrophobicContact CG2-CG2 4.39Å; I162-V166 VanDerWaalsContact O-CG2 3.31Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3Å; V163-V166 PolarHBondContact O-N 2.97Å; V166-L168 PolarHBondContact O-N 3.27Å; V166-S169 WeakPolarHBondContact O-CB 3.04Å; V166-S169 PolarHBondContact O-N 2.91Å; V166-I170 HydrophobicContact CG1-CD1 3.97Å; V166-I170 WeakPolarHBondContact O-CG1 3.49Å; V166-I170 PolarHBondContact O-N 3.42Å
167Y96.7Very high94.7Very high130 Ų13075.1 Ų75.151%0.5136%0.36SS..Hα-helixtrans-56.7-48.5175169.2-103.7000112.1V163 Y164 S169 I170 L171V163-Y167 WeakPolarHBondContact O-CB 3.34Å; V163-Y167 PolarHBondContact O-N 3.49Å; Y164-Y167 HydrophobicContact CD2-CD1 4.21Å; Y164-Y167 HydrophobicContact CE2-CD1 4.2Å; Y164-Y167 WeakPolarHBondContact O-CB 3.23Å; Y164-Y167 PolarHBondContact O-N 3.38Å; Y167-S169 PolarHBondContact O-N 3.49Å; Y167-I170 PolarHBondContact O-N 2.76Å; Y167-L171 HydrophobicContact CD1-CD1 4.16Å; Y167-L171 HydrophobicContact CE1-CD1 3.49Å; Y167-L171 VanDerWaalsContact CE1-CD1 3.49Å; Y167-L171 HydrophobicContact CE1-CG 4.38Å; Y167-L171 HydrophobicContact CE2-CD1 4.15Å; Y167-L171 HydrophobicContact CE2-CG 4.29Å; Y167-L171 WeakPolarHBondContact O-CG 3.18Å; Y167-L171 PolarHBondContact O-N 2.81Å; Y167-L171 VanDerWaalsContact O-N 3.09Å
168L95.8Very high94.6Very high4 Ų477.4 Ų77.42%0.02137%0.367CS..Hα-helixtrans-64-39.2176.9-73.6176.1000112.3K86 Y87 V90 Y164 I165 V166 I170 L171 V172K86-L168 HydrophobicContact CD-CD2 4.49Å; K86-L168 HydrophobicContact CG-CD1 4.46Å; Y87-L168 HydrophobicContact CD2-CB 3.85Å; V90-L168 HydrophobicContact CB-CD1 4.14Å; V90-L168 HydrophobicContact CG1-CD1 4.25Å; V90-L168 HydrophobicContact CG2-CD1 3.91Å; Y164-L168 HydrophobicContact CD1-CD1 4.04Å; Y164-L168 HydrophobicContact CE1-CD1 3.56Å; Y164-L168 HydrophobicContact CE1-CG 4.3Å; Y164-L168 HydrophobicContact CE2-CD1 4.38Å; Y164-L168 HydrophobicContact CE2-CG 4.25Å; Y164-L168 WeakPolarHBondContact O-CG 3.26Å; Y164-L168 PolarHBondContact O-N 3.44Å; I165-L168 PolarHBondContact O-N 3.47Å; V166-L168 PolarHBondContact O-N 3.27Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 2.77Å; L168-L171 HydrophobicContact CD2-CD1 4.47Å; L168-L171 PolarHBondContact O-N 2.9Å; L168-V172 WeakPolarHBondContact O-CG2 3.24Å; L168-V172 PolarHBondContact O-N 2.71Å
169S94.9Very high94.5Very high34 Ų3480.5 Ų80.524%0.23839%0.385CS..Hα-helixtrans-57.8-48.3175.6-167.40000110.9I165 V166 Y167 L171 V172 D173I165-S169 WeakPolarHBondContact O-CB 2.99Å; I165-S169 PolarHBondContact O-N 3.3Å; V166-S169 WeakPolarHBondContact O-CB 3.04Å; V166-S169 PolarHBondContact O-N 2.91Å; Y167-S169 PolarHBondContact O-N 3.49Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 2.94Å; S169-V172 PolarHBondContact O-N 3.43Å; S169-V172 VanDerWaalsContact O-N 3.16Å; S169-D173 VanDerWaalsContact O-CG 3.24Å; S169-D173 PolarHBondContact O-N 3.17Å
170I97Very high94.2Very high90 Ų9082.7 Ų82.746%0.46239%0.392SS..Hα-helixtrans-60.5-43.6178.2-66.8165000110.6V166 Y167 L168 V172 D173 L174V166-I170 HydrophobicContact CG1-CD1 3.97Å; V166-I170 WeakPolarHBondContact O-CG1 3.49Å; V166-I170 PolarHBondContact O-N 3.42Å; Y167-I170 PolarHBondContact O-N 2.76Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 2.77Å; I170-V172 VanDerWaalsContact C-N 3.33Å; I170-V172 PolarHBondContact O-N 3.4Å; I170-D173 PolarHBondContact O-N 3.24Å; I170-L174 HydrophobicContact CG2-CD1 4.06Å; I170-L174 HydrophobicContact CG2-CG 4.38Å; I170-L174 WeakPolarHBondContact O-CB 3.41Å; I170-L174 VanDerWaalsContact O-CG 3.26Å; I170-L174 WeakPolarHBondContact O-CG 3.29Å; I170-L174 PolarHBondContact O-N 2.98Å
171L95.8Very high94.1Very high54 Ų5479.4 Ų79.428%0.28338%0.382SS..Hα-helixtrans-61.6-41.1176.6-70.1179.3000112.3L83 Y167 L168 S169 L174 Q175L83-L171 HydrophobicContact CD1-CB 4.29Å; L83-L171 HydrophobicContact CD1-CD1 4.29Å; L83-L171 VanDerWaalsContact CD2-C 3.41Å; L83-L171 HydrophobicContact CD2-CB 3.72Å; Y167-L171 HydrophobicContact CD1-CD1 4.16Å; Y167-L171 HydrophobicContact CE1-CD1 3.49Å; Y167-L171 VanDerWaalsContact CE1-CD1 3.49Å; Y167-L171 HydrophobicContact CE1-CG 4.38Å; Y167-L171 HydrophobicContact CE2-CD1 4.15Å; Y167-L171 HydrophobicContact CE2-CG 4.29Å; Y167-L171 WeakPolarHBondContact O-CG 3.18Å; Y167-L171 PolarHBondContact O-N 2.81Å; Y167-L171 VanDerWaalsContact O-N 3.09Å; L168-L171 HydrophobicContact CD2-CD1 4.47Å; L168-L171 PolarHBondContact O-N 2.9Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 2.94Å; L171-L174 PolarHBondContact O-N 2.65Å; L171-Q175 WeakPolarHBondContact O-CB 3.36Å; L171-Q175 PolarHBondContact O-N 3.42Å
172V94Very high93.8Very high8 Ų884 Ų845%0.04840%0.396CS..Hα-helixtrans-64.7-43.9178166.60000110.5L83 E84 L168 S169 I170 Q175 Q176L83-V172 HydrophobicContact CB-CG2 4.37Å; L83-V172 VanDerWaalsContact CD2-CA 3.48Å; L83-V172 HydrophobicContact CD2-CB 4.08Å; L83-V172 HydrophobicContact CD2-CG2 3.45Å; L83-V172 VanDerWaalsContact CD2-CG2 3.45Å; L83-V172 VanDerWaalsContact CD2-N 3.34Å; L83-V172 HydrophobicContact CG-CG2 3.76Å; E84-V172 HydrophobicContact CG-CG1 3.65Å; E84-V172 HydrophobicContact CG-CG2 4.19Å; L168-V172 WeakPolarHBondContact O-CG2 3.24Å; L168-V172 PolarHBondContact O-N 2.71Å; S169-V172 PolarHBondContact O-N 3.43Å; S169-V172 VanDerWaalsContact O-N 3.16Å; I170-V172 VanDerWaalsContact C-N 3.33Å; I170-V172 PolarHBondContact O-N 3.4Å; V172-Q175 PolarHBondContact O-N 3.47Å; V172-Q176 WeakPolarHBondContact O-CG 3.47Å; V172-Q176 PolarHBondContact O-N 3.36Å
173D93.7Very high93.5Very high88 Ų8883.4 Ų83.447%0.47140%0.4SS..Hα-helixtrans-64.2-42.1178-66.5-25.9000111.2S169 I170 Q175 Q176 L177S169-D173 VanDerWaalsContact O-CG 3.24Å; S169-D173 PolarHBondContact O-N 3.17Å; I170-D173 PolarHBondContact O-N 3.24Å; D173-Q175 PolarHBondContact O-N 3.02Å; D173-Q176 PolarHBondContact O-N 3.35Å; D173-L177 WeakPolarHBondContact O-CB 3.42Å; D173-L177 PolarHBondContact O-N 2.92Å
174L95.1Very high93Very high99 Ų9986.1 Ų86.152%0.51840%0.399SS..Hα-helixtrans-62.4-40.9174.1-72.5174.7000112I170 L171 L177 Y178I170-L174 HydrophobicContact CG2-CD1 4.06Å; I170-L174 HydrophobicContact CG2-CG 4.38Å; I170-L174 WeakPolarHBondContact O-CB 3.41Å; I170-L174 VanDerWaalsContact O-CG 3.26Å; I170-L174 WeakPolarHBondContact O-CG 3.29Å; I170-L174 PolarHBondContact O-N 2.98Å; L171-L174 PolarHBondContact O-N 2.65Å; L174-L177 PolarHBondContact O-N 3.29Å; L174-Y178 VanDerWaalsContact O-CB 3.3Å; L174-Y178 WeakPolarHBondContact O-CB 3.14Å; L174-Y178 PolarHBondContact O-N 3.12Å
175Q92.6Very high92.4Very high75 Ų7589 Ų8935%0.3541%0.413SS..Hα-helixtrans-65.5-45177.3-178172.54.700111.9L83 L171 V172 D173 L177 Y178 H179L83-Q175 HydrophobicContact CD2-CB 4.4Å; L171-Q175 WeakPolarHBondContact O-CB 3.36Å; L171-Q175 PolarHBondContact O-N 3.42Å; V172-Q175 PolarHBondContact O-N 3.47Å; D173-Q175 PolarHBondContact O-N 3.02Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-Y178 PolarHBondContact O-N 2.89Å; Q175-H179 PolarHBondContact O-N 2.96Å
176Q90.2Very high91.7Very high87 Ų8790.7 Ų90.741%0.40743%0.427SS..Hα-helixtrans-64-40.6176-71.3-179.841.900111.2E84 V172 D173 H179 R180E84-Q176 PolarHBondContact OE1-NE2 3.35Å; V172-Q176 WeakPolarHBondContact O-CG 3.47Å; V172-Q176 PolarHBondContact O-N 3.36Å; D173-Q176 PolarHBondContact O-N 3.35Å; Q176-H179 PolarHBondContact O-N 3.47Å; Q176-R180 WeakPolarHBondContact O-CB 3.48Å; Q176-R180 PolarHBondContact O-N 3.15Å
177L93.2Very high90.7Very high82 Ų8290.2 Ų90.243%0.42943%0.426SS..Hα-helixtrans-62.8-46176.8-174.562.3000111D173 L174 Q175 R180 F181D173-L177 WeakPolarHBondContact O-CB 3.42Å; D173-L177 PolarHBondContact O-N 2.92Å; L174-L177 PolarHBondContact O-N 3.29Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; L177-R180 PolarHBondContact O-N 2.96Å; L177-F181 HydrophobicContact CD1-CD2 3.87Å; L177-F181 HydrophobicContact CD1-CE2 3.37Å; L177-F181 HydrophobicContact CD1-CZ 4.22Å; L177-F181 HydrophobicContact CD2-CE2 4.06Å; L177-F181 HydrophobicContact CG-CD2 3.75Å; L177-F181 HydrophobicContact CG-CE2 3.49Å; L177-F181 VanDerWaalsContact CG-CE2 3.49Å; L177-F181 WeakPolarHBondContact O-CD2 3.13Å; L177-F181 PolarHBondContact O-N 3.47Å
178Y92.4Very high89.7Confident130 Ų13089.6 Ų89.651%0.5143%0.426SS..Hα-helixtrans-56.8-53.7173.5179.4-87.3000110.9L174 Q175 R180 F181 Y182L174-Y178 VanDerWaalsContact O-CB 3.3Å; L174-Y178 WeakPolarHBondContact O-CB 3.14Å; L174-Y178 PolarHBondContact O-N 3.12Å; Q175-Y178 PolarHBondContact O-N 2.89Å; Y178-R180 VanDerWaalsContact C-N 3.27Å; Y178-R180 PolarHBondContact O-N 2.82Å; Y178-F181 PolarHBondContact O-N 2.66Å; Y178-Y182 AromaticContact CD1-CD2 3.69Å; Y178-Y182 HydrophobicContact CD1-CD2 3.69Å; Y178-Y182 AromaticContact CD1-CE2 3.95Å; Y178-Y182 HydrophobicContact CD1-CE2 3.95Å; Y178-Y182 HydrophobicContact CD1-CG 4.33Å; Y178-Y182 AromaticContact CD2-CD2 3.78Å; Y178-Y182 HydrophobicContact CD2-CD2 3.78Å; Y178-Y182 AromaticContact CD2-CE2 3.3Å; Y178-Y182 HydrophobicContact CD2-CE2 3.3Å; Y178-Y182 HydrophobicContact CE1-CD1 4.32Å; Y178-Y182 AromaticContact CE1-CD2 3.53Å; Y178-Y182 HydrophobicContact CE1-CD2 3.53Å; Y178-Y182 HydrophobicContact CE1-CE1 4.29Å; Y178-Y182 AromaticContact CE1-CE2 3.56Å; Y178-Y182 HydrophobicContact CE1-CE2 3.56Å; Y178-Y182 AromaticContact CE1-CG 3.94Å; Y178-Y182 HydrophobicContact CE1-CG 3.94Å; Y178-Y182 AromaticContact CE1-CZ 3.91Å; Y178-Y182 AromaticContact CE2-CD2 3.68Å; Y178-Y182 HydrophobicContact CE2-CD2 3.68Å; Y178-Y182 HydrophobicContact CE2-CE1 4.35Å; Y178-Y182 AromaticContact CE2-CE2 2.88Å; Y178-Y182 HydrophobicContact CE2-CE2 2.88Å; Y178-Y182 AromaticContact CE2-CZ 3.26Å; Y178-Y182 VanDerWaalsContact CE2-OH 3.24Å; Y178-Y182 WeakPolarHBondContact CE2-OH 3.31Å; Y178-Y182 AromaticContact CG-CD2 3.8Å; Y178-Y182 HydrophobicContact CG-CD2 3.8Å; Y178-Y182 AromaticContact CG-CE2 3.83Å; Y178-Y182 HydrophobicContact CG-CE2 3.83Å; Y178-Y182 AromaticContact CZ-CD2 3.53Å; Y178-Y182 AromaticContact CZ-CE1 3.77Å; Y178-Y182 AromaticContact CZ-CE2 3.01Å; Y178-Y182 AromaticContact CZ-CZ 3.09Å; Y178-Y182 VanDerWaalsContact O-CD2 3.24Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.13Å; Y178-Y182 PolarHBondContact O-N 2.95Å; Y178-Y182 WeakPolarHBondContact OH-CE1 3.31Å; Y178-Y182 WeakPolarHBondContact OH-CE2 2.96Å; Y178-Y182 PolarHBondContact OH-OH 2.78Å
179H88.4Confident88.8Confident139 Ų13994.4 Ų94.464%0.64445%0.452SS*.Hα-helixtrans-59-39.5-179.9-170.1-115.3000112.3Q175 Q176 Y182 A183Q175-H179 PolarHBondContact O-N 2.96Å; Q176-H179 PolarHBondContact O-N 3.47Å; H179-Y182 PolarHBondContact O-N 3.05Å; H179-A183 VanDerWaalsContact O-CB 3.32Å; H179-A183 WeakPolarHBondContact O-CB 3.17Å; H179-A183 PolarHBondContact O-N 3.21Å
180R90Very high87.9Confident197 Ų19797.6 Ų97.674%0.74347%0.466SS*.Hα-helixtrans-64.2-40.8175-171.2177.5-177.7-173.50.7112.4Q176 L177 Y178 R184Q176-R180 WeakPolarHBondContact O-CB 3.48Å; Q176-R180 PolarHBondContact O-N 3.15Å; L177-R180 PolarHBondContact O-N 2.96Å; Y178-R180 VanDerWaalsContact C-N 3.27Å; Y178-R180 PolarHBondContact O-N 2.82Å; R180-R184 WeakPolarHBondContact O-CB 3.5Å; R180-R184 PolarHBondContact O-N 3.42Å; R180-R184 VanDerWaalsContact O-N 3.16Å
181F92Very high86.9Confident96 Ų9699.8 Ų99.842%0.42147%0.474SS..Hα-helixtrans-66.6-47.8174.4-82.6-65000111.6L177 Y178 A183 R184 F185L177-F181 HydrophobicContact CD1-CD2 3.87Å; L177-F181 HydrophobicContact CD1-CE2 3.37Å; L177-F181 HydrophobicContact CD1-CZ 4.22Å; L177-F181 HydrophobicContact CD2-CE2 4.06Å; L177-F181 HydrophobicContact CG-CD2 3.75Å; L177-F181 HydrophobicContact CG-CE2 3.49Å; L177-F181 VanDerWaalsContact CG-CE2 3.49Å; L177-F181 WeakPolarHBondContact O-CD2 3.13Å; L177-F181 PolarHBondContact O-N 3.47Å; Y178-F181 PolarHBondContact O-N 2.66Å; F181-A183 PolarHBondContact O-N 2.9Å; F181-R184 PolarHBondContact O-N 3Å; F181-R184 VanDerWaalsContact O-N 3.1Å; F181-F185 HydrophobicContact CB-CD2 4.35Å; F181-F185 HydrophobicContact CB-CE2 4.39Å; F181-F185 HydrophobicContact CD1-CE2 4Å; F181-F185 WeakPolarHBondContact O-CD2 3.48Å; F181-F185 PolarHBondContact O-N 3.41Å
182Y87.6Confident85.7Confident129 Ų129104.4 Ų104.451%0.50649%0.489SS..Hα-helixtrans-61.8-41.7179.8-85.1-104.1000112.3Y178 H179 R184 F185 S186Y178-Y182 AromaticContact CD1-CD2 3.69Å; Y178-Y182 HydrophobicContact CD1-CD2 3.69Å; Y178-Y182 AromaticContact CD1-CE2 3.95Å; Y178-Y182 HydrophobicContact CD1-CE2 3.95Å; Y178-Y182 HydrophobicContact CD1-CG 4.33Å; Y178-Y182 AromaticContact CD2-CD2 3.78Å; Y178-Y182 HydrophobicContact CD2-CD2 3.78Å; Y178-Y182 AromaticContact CD2-CE2 3.3Å; Y178-Y182 HydrophobicContact CD2-CE2 3.3Å; Y178-Y182 HydrophobicContact CE1-CD1 4.32Å; Y178-Y182 AromaticContact CE1-CD2 3.53Å; Y178-Y182 HydrophobicContact CE1-CD2 3.53Å; Y178-Y182 HydrophobicContact CE1-CE1 4.29Å; Y178-Y182 AromaticContact CE1-CE2 3.56Å; Y178-Y182 HydrophobicContact CE1-CE2 3.56Å; Y178-Y182 AromaticContact CE1-CG 3.94Å; Y178-Y182 HydrophobicContact CE1-CG 3.94Å; Y178-Y182 AromaticContact CE1-CZ 3.91Å; Y178-Y182 AromaticContact CE2-CD2 3.68Å; Y178-Y182 HydrophobicContact CE2-CD2 3.68Å; Y178-Y182 HydrophobicContact CE2-CE1 4.35Å; Y178-Y182 AromaticContact CE2-CE2 2.88Å; Y178-Y182 HydrophobicContact CE2-CE2 2.88Å; Y178-Y182 AromaticContact CE2-CZ 3.26Å; Y178-Y182 VanDerWaalsContact CE2-OH 3.24Å; Y178-Y182 WeakPolarHBondContact CE2-OH 3.31Å; Y178-Y182 AromaticContact CG-CD2 3.8Å; Y178-Y182 HydrophobicContact CG-CD2 3.8Å; Y178-Y182 AromaticContact CG-CE2 3.83Å; Y178-Y182 HydrophobicContact CG-CE2 3.83Å; Y178-Y182 AromaticContact CZ-CD2 3.53Å; Y178-Y182 AromaticContact CZ-CE1 3.77Å; Y178-Y182 AromaticContact CZ-CE2 3.01Å; Y178-Y182 AromaticContact CZ-CZ 3.09Å; Y178-Y182 VanDerWaalsContact O-CD2 3.24Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.13Å; Y178-Y182 PolarHBondContact O-N 2.95Å; Y178-Y182 WeakPolarHBondContact OH-CE1 3.31Å; Y178-Y182 WeakPolarHBondContact OH-CE2 2.96Å; Y178-Y182 PolarHBondContact OH-OH 2.78Å; H179-Y182 PolarHBondContact O-N 3.05Å; Y182-R184 VanDerWaalsContact C-N 3.31Å; Y182-R184 PolarHBondContact O-N 2.97Å; Y182-F185 PolarHBondContact O-N 3.24Å; Y182-S186 VanDerWaalsContact O-CB 3.28Å; Y182-S186 WeakPolarHBondContact O-CB 3.4Å; Y182-S186 PolarHBondContact O-N 2.84Å; Y182-S186 PolarHBondContact O-OG 3.49Å; Y182-S186 VanDerWaalsContact O-OG 3.08Å
183A88.5Confident84.8Confident48 Ų48110.3 Ų110.340%0.39751%0.514SS..Hα-helixtrans-64.3-34.7174.300000112.7H179 F181 S186 S187H179-A183 VanDerWaalsContact O-CB 3.32Å; H179-A183 WeakPolarHBondContact O-CB 3.17Å; H179-A183 PolarHBondContact O-N 3.21Å; F181-A183 PolarHBondContact O-N 2.9Å; A183-S186 PolarHBondContact O-OG 2.93Å; A183-S187 WeakPolarHBondContact O-CB 3.47Å; A183-S187 PolarHBondContact O-N 3.2Å; A183-S187 PolarHBondContact O-OG 3.34Å
184R85.5Confident83.9Confident159 Ų159110.7 Ų110.760%0.652%0.516SS*.Hα-helixtrans-73.9-36176.4-168.7176.4-172.4-175.91.5112.7R180 F181 Y182 S187 K188R180-R184 WeakPolarHBondContact O-CB 3.5Å; R180-R184 PolarHBondContact O-N 3.42Å; R180-R184 VanDerWaalsContact O-N 3.16Å; F181-R184 PolarHBondContact O-N 3Å; F181-R184 VanDerWaalsContact O-N 3.1Å; Y182-R184 VanDerWaalsContact C-N 3.31Å; Y182-R184 PolarHBondContact O-N 2.97Å; R184-S187 PolarHBondContact O-OG 3.44Å; R184-K188 WeakPolarHBondContact O-CG 3.3Å; R184-K188 PolarHBondContact O-N 2.98Å
185F84Confident83.2Confident122 Ų122110.1 Ų110.154%0.53552%0.516SS..Hα-helixtrans-76.7-39.1176.9-78.6-69.4000111.9F181 Y182 S187 K188 L189F181-F185 HydrophobicContact CB-CD2 4.35Å; F181-F185 HydrophobicContact CB-CE2 4.39Å; F181-F185 HydrophobicContact CD1-CE2 4Å; F181-F185 WeakPolarHBondContact O-CD2 3.48Å; F181-F185 PolarHBondContact O-N 3.41Å; Y182-F185 PolarHBondContact O-N 3.24Å; F185-S187 PolarHBondContact O-N 2.97Å; F185-K188 PolarHBondContact O-N 3.46Å; F185-L189 WeakPolarHBondContact O-CG 3.48Å; F185-L189 PolarHBondContact O-N 2.98Å
186S80Confident82.3Confident57 Ų57109.4 Ų109.440%0.39952%0.515SS..Hα-helixtrans-65.1-38.4177.6680000112.1Y182 A183 L189 N190Y182-S186 VanDerWaalsContact O-CB 3.28Å; Y182-S186 WeakPolarHBondContact O-CB 3.4Å; Y182-S186 PolarHBondContact O-N 2.84Å; Y182-S186 PolarHBondContact O-OG 3.49Å; Y182-S186 VanDerWaalsContact O-OG 3.08Å; A183-S186 PolarHBondContact O-OG 2.93Å; S186-L189 PolarHBondContact O-N 3.4Å; S186-N190 WeakPolarHBondContact O-CB 3.43Å; S186-N190 VanDerWaalsContact O-CG 3.25Å; S186-N190 PolarHBondContact O-N 2.93Å; S186-N190 PolarHBondContact O-ND2 3.18Å
187S76.5Confident81.5Confident66 Ų66109.7 Ų109.746%0.46252%0.519SS..Hα-helixtrans-64.2-42.3174.363.40000112.6A183 R184 F185 N190 Q191A183-S187 WeakPolarHBondContact O-CB 3.47Å; A183-S187 PolarHBondContact O-N 3.2Å; A183-S187 PolarHBondContact O-OG 3.34Å; R184-S187 PolarHBondContact O-OG 3.44Å; F185-S187 PolarHBondContact O-N 2.97Å; S187-N190 PolarHBondContact O-N 2.9Å; S187-Q191 WeakPolarHBondContact O-CB 3.35Å; S187-Q191 PolarHBondContact O-N 3.47Å
188K77.1Confident80.6Confident118 Ų118110.1 Ų110.151%0.51352%0.522SS..Hα-helixtrans-63.1-42173.5-76.2-174.3176.7-171.30112.7R184 F185 Q191 Y192R184-K188 WeakPolarHBondContact O-CG 3.3Å; R184-K188 PolarHBondContact O-N 2.98Å; F185-K188 PolarHBondContact O-N 3.46Å; K188-Q191 PolarHBondContact O-N 3.26Å; K188-Y192 PolarHBondContact O-N 3.1Å
189L76.8Confident79.7Confident105 Ų105111.8 Ų111.855%0.5553%0.532SS..Hα-helixtrans-66.2-39.3177.6-72.6173.4000111.8F185 S186 Y192 K193F185-L189 WeakPolarHBondContact O-CG 3.48Å; F185-L189 PolarHBondContact O-N 2.98Å; S186-L189 PolarHBondContact O-N 3.4Å; L189-Y192 PolarHBondContact O-N 3.45Å; L189-K193 WeakPolarHBondContact O-CB 3.06Å; L189-K193 WeakPolarHBondContact O-CG 3.22Å; L189-K193 PolarHBondContact O-N 3.21Å
190N74.5Confident78.9Confident100 Ų100113.6 Ų113.654%0.53554%0.538SS..Hα-helixtrans-66.8-39.4175.4-72.8-18.4000111.8S186 S187 K193 N194S186-N190 WeakPolarHBondContact O-CB 3.43Å; S186-N190 VanDerWaalsContact O-CG 3.25Å; S186-N190 PolarHBondContact O-N 2.93Å; S186-N190 PolarHBondContact O-ND2 3.18Å; S187-N190 PolarHBondContact O-N 2.9Å; N190-K193 PolarHBondContact O-N 3.33Å; N190-N194 WeakPolarHBondContact O-CB 3.5Å; N190-N194 PolarHBondContact O-N 3.26Å
191Q76.8Confident77.9Confident136 Ų136111 Ų11164%0.63654%0.537SS*.Hα-helixtrans-61.1-45.9173.1-169-178.217.500111.3S187 K188 N194 V195S187-Q191 WeakPolarHBondContact O-CB 3.35Å; S187-Q191 PolarHBondContact O-N 3.47Å; K188-Q191 PolarHBondContact O-N 3.26Å; Q191-N194 PolarHBondContact O-N 3.4Å; Q191-V195 WeakPolarHBondContact O-CG2 3.38Å; Q191-V195 PolarHBondContact O-N 3.36Å
192Y70.7Confident76.3Confident152 Ų152118.1 Ų118.160%0.59657%0.568SS**Hα-helixtrans-63.4-42.1177.4-176.1-102.4000112.6K188 L189 N196K188-Y192 PolarHBondContact O-N 3.1Å; L189-Y192 PolarHBondContact O-N 3.45Å; Y192-N196 WeakPolarHBondContact CE1-ND2 3.36Å; Y192-N196 WeakPolarHBondContact O-CB 3.35Å; Y192-N196 PolarHBondContact O-N 3.38Å; Y192-N196 PolarHBondContact OH-ND2 3.18Å
193K75.1Confident75.7Confident131 Ų131117.6 Ų117.657%0.5757%0.571SS**Hα-helixtrans-62.1-43.3174.6-77.5179.9-179.8-179.70112.3L189 N190 N196 N197L189-K193 WeakPolarHBondContact O-CB 3.06Å; L189-K193 WeakPolarHBondContact O-CG 3.22Å; L189-K193 PolarHBondContact O-N 3.21Å; N190-K193 PolarHBondContact O-N 3.33Å; K193-N196 PolarHBondContact O-N 3.18Å; K193-N197 WeakPolarHBondContact O-CB 3.44Å; K193-N197 PolarHBondContact O-N 3.17Å; K193-N197 PolarHBondContact O-ND2 3.18Å; K193-N197 PolarHBondContact O-OD1 3.42Å
194N75.6Confident75.1Confident96 Ų96121.3 Ų121.351%0.51358%0.58SS.*Hα-helixtrans-65.4-44179.8-163-24.1000111.3N190 Q191 N196 N197 N198N190-N194 WeakPolarHBondContact O-CB 3.5Å; N190-N194 PolarHBondContact O-N 3.26Å; Q191-N194 PolarHBondContact O-N 3.4Å; N194-N196 PolarHBondContact O-N 2.91Å; N194-N197 PolarHBondContact O-N 2.98Å; N194-N198 VanDerWaalsContact O-CG 3.26Å; N194-N198 PolarHBondContact O-N 3.43Å; N194-N198 PolarHBondContact O-ND2 3.42Å; N194-N198 PolarHBondContact OD1-ND2 2.76Å
195V79.2Confident74.5Confident87 Ų87119.2 Ų119.253%0.52758%0.579SS.*Hα-helixtrans-60.2-44.6175.2173.20000111.9Q191 N198 K199Q191-V195 WeakPolarHBondContact O-CG2 3.38Å; Q191-V195 PolarHBondContact O-N 3.36Å; V195-N198 PolarHBondContact O-N 3.37Å; V195-K199 PolarHBondContact O-N 3.4Å; V195-K199 VanDerWaalsContact O-N 3.17Å
196N74.6Confident73.9Confident60 Ų60119 Ų11932%0.32158%0.582SS.*Hα-helixtrans-69.5-36.2179-79.2-11.1000113.4Y192 K193 N194 K199 K200Y192-N196 WeakPolarHBondContact CE1-ND2 3.36Å; Y192-N196 WeakPolarHBondContact O-CB 3.35Å; Y192-N196 PolarHBondContact O-N 3.38Å; Y192-N196 PolarHBondContact OH-ND2 3.18Å; K193-N196 PolarHBondContact O-N 3.18Å; N194-N196 PolarHBondContact O-N 2.91Å; N196-K199 PolarHBondContact O-N 3.03Å; N196-K200 PolarHBondContact O-N 2.75Å
197N74Confident73.6Confident93 Ų93122.9 Ų122.950%0.49759%0.593SS.*Hα-helixtrans-66.3-42.1176-72.5-9.3000111.2K193 N194 K199 K200 I201K193-N197 WeakPolarHBondContact O-CB 3.44Å; K193-N197 PolarHBondContact O-N 3.17Å; K193-N197 PolarHBondContact O-ND2 3.18Å; K193-N197 PolarHBondContact O-OD1 3.42Å; N194-N197 PolarHBondContact O-N 2.98Å; N197-K199 PolarHBondContact O-N 3.15Å; N197-K200 PolarHBondContact O-N 2.87Å; N197-K200 VanDerWaalsContact O-N 3.13Å; N197-I201 WeakPolarHBondContact O-CG1 3.35Å; N197-I201 PolarHBondContact O-N 3.41Å
198N73.4Confident73.4Confident91 Ų91126.7 Ų126.749%0.48760%0.602SS.*Hα-helixtrans-65.3-27.5175.8-66.7-25.4000112.8N194 V195N194-N198 VanDerWaalsContact O-CG 3.26Å; N194-N198 PolarHBondContact O-N 3.43Å; N194-N198 PolarHBondContact O-ND2 3.42Å; N194-N198 PolarHBondContact OD1-ND2 2.76Å; V195-N198 PolarHBondContact O-N 3.37Å
199K73.2Confident73.1Confident165 Ų165127.3 Ų127.372%0.71761%0.609SS**Hα-helixtrans-76-22.6175-160.8178.5-177.7-178.80113.3V195 N196 N197V195-K199 PolarHBondContact O-N 3.4Å; V195-K199 VanDerWaalsContact O-N 3.17Å; N196-K199 PolarHBondContact O-N 3.03Å; N197-K199 PolarHBondContact O-N 3.15Å
200K71.2Confident72.8Confident178 Ų178129 Ų12977%0.77461%0.613SS**Hα-helixtrans-84.7-16.3176.7-78.8-172.6177-174.30114.2N196 N197N196-K200 PolarHBondContact O-N 2.75Å; N197-K200 PolarHBondContact O-N 2.87Å; N197-K200 VanDerWaalsContact O-N 3.13Å
201I70.3Confident72.7Confident142 Ų142131.4 Ų131.473%0.72862%0.62SS**  trans-91-10.9-177.7-63.7167.1000111.7N197N197-I201 WeakPolarHBondContact O-CG1 3.35Å; N197-I201 PolarHBondContact O-N 3.41Å
202K58.1Low72.3Confident246 Ų246131 Ų131100%1.0762%0.618SS**  trans-100.60171.6-72.5-173.9176.3-174.70110.5

Retrieved 202 of 202 residues in 204.5 ms (Link to these results)