A0A3Q0KSH1_SCHMA Loading...

Phosphatidylcholine-sterol acyltransferase (Lecithin-cholesterol acyltransferase)/ Phospholipase A AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KSH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 413 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
1M39.9Very low41.5Very low234 Ų234147.2 Ų147.2100%1.15380%0.795SS**  0149.80-69.9155.574.500107.8
2G42.9Very low41.2Very low79 Ų79148.4 Ų148.481%0.81479%0.788SS**  trans-72.7130.6-172.200000113.1L4G2-L4 PolarHBondContact O-N 3.3Å
3H42.4Very low40.9Very low178 Ų178150.8 Ų150.882%0.82479%0.787SS**  trans-78.7104.3169-77.2-90.4000109.5L5H3-L5 PolarHBondContact O-N 3.18Å
4L42.3Very low40.6Very low160 Ų160152.6 Ų152.684%0.83879%0.787SS**  trans-75.598.7171.7-135.676.8000108.6G2 W6G2-L4 PolarHBondContact O-N 3.3Å; L4-W6 PolarHBondContact O-N 3.17Å
5L44.7Very low40.3Very low146 Ų146148.1 Ų148.176%0.76477%0.774SS**  trans-71.4109.3171-82.791.4000109.3H3 T7H3-L5 PolarHBondContact O-N 3.18Å; L5-T7 PolarHBondContact O-N 3.17Å
6W42.6Very low40.2Very low229 Ų229147.8 Ų147.887%0.86777%0.771SS**  trans-66.797162.8-95.621000109.6L4 C8L4-W6 PolarHBondContact O-N 3.17Å; W6-C8 PolarHBondContact O-N 3.03Å
7T43Very low40Very low120 Ų120149 Ų14974%0.73677%0.772SS**  trans-74.397.6164.244.60000109.2L5 I9L5-T7 PolarHBondContact O-N 3.17Å; T7-I9 PolarHBondContact O-N 3.01Å
8C39.7Very low40.1Very low105 Ų105146.8 Ų146.871%0.70977%0.766SS**  trans-59.8106.9171.3-68.90000110W6 I10W6-C8 PolarHBondContact O-N 3.03Å; C8-I10 PolarHBondContact O-N 2.99Å
9I40.5Very low40.4Very low146 Ų146143.4 Ų143.475%0.74976%0.761SS**  trans-71.797.1173.7-59.1176.8000107.6T7 C11T7-I9 PolarHBondContact O-N 3.01Å; I9-C11 VanDerWaalsContact C-N 3.34Å; I9-C11 PolarHBondContact O-N 3Å
10I41Very low40.5Very low131 Ų131144.9 Ų144.967%0.67276%0.763SS**  trans-73.193.7171.4-59.3178.1000107.2C8 F12C8-I10 PolarHBondContact O-N 2.99Å; I10-F12 VanDerWaalsContact C-N 3.33Å; I10-F12 HydrophobicContact CB-CE2 4.5Å; I10-F12 HydrophobicContact CG2-CD2 3.94Å; I10-F12 HydrophobicContact CG2-CE2 3.81Å; I10-F12 PolarHBondContact O-N 2.87Å
11C37Very low40.7Very low91 Ų91145.4 Ų145.462%0.61577%0.765SS**  trans-65.292.1171.5-69.20000109.7I9 F13I9-C11 VanDerWaalsContact C-N 3.34Å; I9-C11 PolarHBondContact O-N 3Å; C11-F13 VanDerWaalsContact C-N 3.3Å; C11-F13 HydrophobicContact CB-CE2 4.38Å; C11-F13 PolarHBondContact O-N 2.89Å
12F37.8Very low41.4Very low162 Ų162141.4 Ų141.471%0.71174%0.743SS**  trans-63.592.8165.9-85.9-91.8000109.2I10 F14I10-F12 VanDerWaalsContact C-N 3.33Å; I10-F12 HydrophobicContact CB-CE2 4.5Å; I10-F12 HydrophobicContact CG2-CD2 3.94Å; I10-F12 HydrophobicContact CG2-CE2 3.81Å; I10-F12 PolarHBondContact O-N 2.87Å; F12-F14 VanDerWaalsContact C-N 3.26Å; F12-F14 HydrophobicContact CB-CD2 4.12Å; F12-F14 HydrophobicContact CB-CE2 4.04Å; F12-F14 PolarHBondContact O-N 2.8Å
13F38.4Very low42.6Very low179 Ų179139.7 Ų139.779%0.78572%0.719SS**  trans-63.394.2159.9-80.5-87.1000107.8C11 S15C11-F13 VanDerWaalsContact C-N 3.3Å; C11-F13 HydrophobicContact CB-CE2 4.38Å; C11-F13 PolarHBondContact O-N 2.89Å; F13-S15 PolarHBondContact O-N 2.89Å
14F35.9Very low44.5Very low177 Ų177136 Ų13678%0.77670%0.702SS**  trans-66.779.3162.5-85.3-90.7000108.3F12 I16F12-F14 VanDerWaalsContact C-N 3.26Å; F12-F14 HydrophobicContact CB-CD2 4.12Å; F12-F14 HydrophobicContact CB-CE2 4.04Å; F12-F14 PolarHBondContact O-N 2.8Å; F14-I16 PolarHBondContact O-N 2.77Å
15S36.2Very low46.8Very low85 Ų85129.7 Ų129.759%0.59467%0.668SS**  trans-59.992157.8-68.30000106.8F13 H17F13-S15 PolarHBondContact O-N 2.89Å; S15-H17 PolarHBondContact O-N 2.84Å
16I39Very low49.2Very low143 Ų143123 Ų12373%0.73363%0.633SS**  trans-66.388.6168.5-54.6179.1000105.5F14 V18F14-I16 PolarHBondContact O-N 2.77Å; I16-V18 HydrophobicContact CG2-CG2 3.85Å; I16-V18 PolarHBondContact O-N 2.84Å
17H37.1Very low51.8Low168 Ų168112.1 Ų112.178%0.77859%0.591SS**  trans-64.780.4160.4-72.5-74.6000106.8S15 A19S15-H17 PolarHBondContact O-N 2.84Å; H17-A19 PolarHBondContact O-N 2.76Å
18V41.9Very low54.4Low109 Ų109106.4 Ų106.466%0.66156%0.556SS**  trans-55.599.2152.3179.60000103.9I16 H20I16-V18 HydrophobicContact CG2-CG2 3.85Å; I16-V18 PolarHBondContact O-N 2.84Å; V18-H20 PolarHBondContact O-N 2.87Å
19A44.3Very low57.2Low83 Ų83101.4 Ų101.469%0.68652%0.523SS*.  trans-64.790.1171.900000106H17 I21H17-A19 PolarHBondContact O-N 2.76Å; A19-I21 VanDerWaalsContact C-N 3.31Å; A19-I21 PolarHBondContact O-N 2.76Å
20H43.2Very low60Low173 Ų17394.5 Ų94.580%0.80149%0.487SS*.  trans-52.5106.9161.2-115.8-73.4000104.8V18 Q22V18-H20 PolarHBondContact O-N 2.87Å; H20-Q22 PolarHBondContact O-N 2.76Å
21I44.5Very low62.8Low156 Ų15688.2 Ų88.280%0.846%0.455SS*.  trans-65.193.7174.5-62.3174.8000104.4A19 S23A19-I21 VanDerWaalsContact C-N 3.31Å; A19-I21 PolarHBondContact O-N 2.76Å; I21-S23 PolarHBondContact O-N 3.15Å
22Q54.9Low65.7Low149 Ų14983.9 Ų83.970%0.69643%0.426SS*.  trans-63.8105.4-174.6-173.21762.200106.4H20 E24H20-Q22 PolarHBondContact O-N 2.76Å; Q22-E24 PolarHBondContact O-N 2.88Å; Q22-E24 VanDerWaalsContact O-N 3.15Å
23S67.5Low68.5Low43 Ų4376.2 Ų76.230%0.30139%0.392SS..PPolyproline II helixtrans-50.7121.7-172.458.30000109.5I21 K25 S386I21-S23 PolarHBondContact O-N 3.15Å; S23-K25 WeakPolarHBondContact O-CD 3.49Å; S23-K25 WeakPolarHBondContact O-CG 3.31Å; S23-K25 PolarHBondContact O-N 3.49Å; S23-K25 VanDerWaalsContact O-N 3.08Å; S23-S386 WeakPolarHBondContact OG-CB 3.47Å; S23-S386 PolarHBondContact OG-OG 3.44Å
24E83Confident71.2Confident100 Ų10070.5 Ų70.547%0.46737%0.37SS..PPolyproline II helixtrans-48.6118.9-174.5-176.4177.9-137.200110.6Q22 Y26 S386Q22-E24 PolarHBondContact O-N 2.88Å; Q22-E24 VanDerWaalsContact O-N 3.15Å; E24-Y26 HydrophobicContact CG-CE1 3.81Å; E24-Y26 WeakPolarHBondContact O-CE2 3.12Å; E24-Y26 WeakPolarHBondContact OE2-CE1 3.18Å; E24-Y26 PolarHBondContact OE2-OH 2.93Å; E24-S386 CarbonylContact O-C 3.53Å; E24-S386 WeakPolarHBondContact O-CA 3.47Å
25K90.6Very high73.9Confident29 Ų2962.4 Ų62.413%0.12634%0.337CS..PPolyproline II helixtrans-92.5131.2-178-57.9-64.2-179.3167.20109.9S23 D124 F126 F127 R168 V385 S386S23-K25 WeakPolarHBondContact O-CD 3.49Å; S23-K25 WeakPolarHBondContact O-CG 3.31Å; S23-K25 PolarHBondContact O-N 3.49Å; S23-K25 VanDerWaalsContact O-N 3.08Å; K25-D124 WeakPolarHBondContact CE-OD2 3.32Å; K25-D124 IonicContact NZ-OD2 2.63Å; K25-D124 PolarHBondContact NZ-OD2 2.88Å; K25-F126 HydrophobicContact CB-CB 4.37Å; K25-F126 HydrophobicContact CB-CD1 3.46Å; K25-F126 VanDerWaalsContact CB-CD1 3.46Å; K25-F126 HydrophobicContact CB-CD2 4.38Å; K25-F126 HydrophobicContact CB-CE1 3.77Å; K25-F126 HydrophobicContact CB-CG 3.79Å; K25-F126 HydrophobicContact CB-CZ 4.36Å; K25-F126 HydrophobicContact CG-CD1 4.39Å; K25-F126 HydrophobicContact CG-CG 4.47Å; K25-F126 WeakPolarHBondContact O-CZ 3.44Å; K25-F127 HydrophobicContact CB-CZ 4.23Å; K25-F127 HydrophobicContact CD-CE2 4.19Å; K25-F127 HydrophobicContact CD-CZ 4.23Å; K25-R168 WeakPolarHBondContact O-CD 3.25Å; K25-R168 PolarHBondContact O-NH1 3.03Å; K25-V385 WeakPolarHBondContact CA-O 3.29Å; K25-S386 PolarHBondContact NZ-OG 3.09Å
26Y94.9Very high76.7Confident6 Ų658.4 Ų58.42%0.02431%0.309CS..  trans-106.3139-180-56.3-73000110.1E24 F127 R168 S169 K199 V385 K387E24-Y26 HydrophobicContact CG-CE1 3.81Å; E24-Y26 WeakPolarHBondContact O-CE2 3.12Å; E24-Y26 WeakPolarHBondContact OE2-CE1 3.18Å; E24-Y26 PolarHBondContact OE2-OH 2.93Å; Y26-F127 WeakPolarHBondContact O-CE1 3.25Å; Y26-R168 HydrophobicContact CD1-CB 4.28Å; Y26-S169 WeakPolarHBondContact CB-O 3.44Å; Y26-S169 WeakPolarHBondContact CD1-O 3.44Å; Y26-K199 HydrophobicContact CD1-CB 4.41Å; Y26-K199 HydrophobicContact CD1-CD 3.88Å; Y26-K199 HydrophobicContact CD1-CG 4Å; Y26-K199 HydrophobicContact CD2-CD 4.01Å; Y26-K199 HydrophobicContact CD2-CG 3.82Å; Y26-K199 HydrophobicContact CE1-CD 3.72Å; Y26-K199 HydrophobicContact CE1-CG 4.35Å; Y26-K199 HydrophobicContact CE2-CD 3.82Å; Y26-K199 HydrophobicContact CE2-CG 4.13Å; Y26-K199 HydrophobicContact CG-CB 4.34Å; Y26-K199 HydrophobicContact CG-CD 4.04Å; Y26-K199 HydrophobicContact CG-CG 3.75Å; Y26-K199 PolarHBondContact OH-NZ 3.29Å; Y26-V385 PolarHBondContact N-O 2.86Å; Y26-V385 VanDerWaalsContact O-CG1 3.26Å; Y26-V385 WeakPolarHBondContact O-CG1 3.46Å; Y26-K387 HydrophobicContact CE2-CB 4.23Å
27P97.6Very high79.4Confident0 Ų051.6 Ų51.60%027%0.274CS..  trans-71.2162.7176.136.3-39.6000110.4F126 T132 T161 V170 V171P27-F126 HydrophobicContact CB-CE1 4.41Å; P27-F126 HydrophobicContact CB-CZ 4.31Å; P27-T132 CarbonylContact C-O 3.29Å; P27-T132 WeakPolarHBondContact CA-O 3.34Å; P27-T132 HydrophobicContact CB-CG2 4.09Å; P27-T132 WeakPolarHBondContact CB-O 3.37Å; P27-T161 HydrophobicContact CB-CG2 3.66Å; P27-T161 HydrophobicContact CG-CG2 3.96Å; P27-V170 HydrophobicContact CG-CG2 4.09Å; P27-V170 WeakPolarHBondContact O-CA 3.48Å; P27-V171 PolarHBondContact O-N 3.26Å
28I98.1Very high82.2Confident0 Ų043.8 Ų43.80%024%0.238CC..EExtended strand (participates in β ladder)trans-131.5134.9-169.3-169.9174000112.5I30 L121 T132 I133 R134 V171 L173 I383 V385I28-I30 HydrophobicContact CD1-CG1 4.31Å; I28-I30 HydrophobicContact CG1-CG1 4.23Å; I28-L121 HydrophobicContact CD1-CD1 4.5Å; I28-L121 HydrophobicContact CG2-CD1 4.17Å; I28-T132 PolarHBondContact N-O 2.89Å; I28-I133 HydrophobicContact CG2-CB 4.2Å; I28-I133 HydrophobicContact CG2-CG1 4.28Å; I28-I133 HydrophobicContact CG2-CG2 3.86Å; I28-R134 PolarHBondContact O-N 2.93Å; I28-V171 WeakPolarHBondContact CA-O 3.48Å; I28-V171 HydrophobicContact CG1-CB 4.36Å; I28-V171 HydrophobicContact CG1-CG1 4.33Å; I28-V171 WeakPolarHBondContact CG1-O 3.4Å; I28-L173 HydrophobicContact CD1-CB 4.19Å; I28-L173 HydrophobicContact CD1-CD1 4.27Å; I28-L173 HydrophobicContact CG1-CB 4.43Å; I28-I383 HydrophobicContact CD1-CG2 4.41Å; I28-V385 HydrophobicContact CD1-CG2 4.4Å
29V98.8Very high84.8Confident0 Ų038.6 Ų38.60%021%0.206CC..EExtended strand (participates in β ladder)trans-113.6128.2169.6175.10000108.8R134 A136 L154 L157 I158 T161 V170 V171 L172 L173V29-R134 CarbonylContact C-O 3.28Å; V29-R134 WeakPolarHBondContact CA-O 3.35Å; V29-R134 HydrophobicContact CG2-CB 4.21Å; V29-A136 HydrophobicContact CG1-CB 4.27Å; V29-L154 HydrophobicContact CG1-CD1 3.81Å; V29-L157 HydrophobicContact CG1-CD2 4.08Å; V29-I158 HydrophobicContact CB-CG1 4.36Å; V29-I158 HydrophobicContact CG1-CG1 4.46Å; V29-I158 HydrophobicContact CG2-CG1 3.94Å; V29-T161 HydrophobicContact CG2-CG2 3.97Å; V29-V170 HydrophobicContact CB-CG1 4.22Å; V29-V170 HydrophobicContact CG2-CG1 3.7Å; V29-V171 PolarHBondContact N-O 3.04Å; V29-L172 HydrophobicContact CB-CD1 3.89Å; V29-L172 HydrophobicContact CG1-CD1 3.81Å; V29-L173 PolarHBondContact O-N 3.49Å
30I98.7Very high87.4Confident0 Ų036.7 Ų36.70%018%0.182CC..EExtended strand (participates in β ladder)trans-110.9116.4-174.9-59.7161.5000109.7I28 I100 M117 I118 I133 R134 A136 L173I28-I30 HydrophobicContact CD1-CG1 4.31Å; I28-I30 HydrophobicContact CG1-CG1 4.23Å; I30-I100 HydrophobicContact CB-CD1 3.92Å; I30-I100 HydrophobicContact CD1-CD1 4.48Å; I30-I100 HydrophobicContact CG2-CD1 3.86Å; I30-M117 HydrophobicContact CD1-CE 3.52Å; I30-M117 HydrophobicContact CG1-CE 4.16Å; I30-I118 HydrophobicContact CD1-CD1 3.92Å; I30-I118 HydrophobicContact CD1-CG1 3.99Å; I30-I133 HydrophobicContact CD1-CG2 3.91Å; I30-R134 PolarHBondContact N-O 2.89Å; I30-A136 PolarHBondContact O-N 3.17Å; I30-L173 CarbonylContact C-O 3.54Å; I30-L173 WeakPolarHBondContact CA-O 3.37Å; I30-L173 HydrophobicContact CG2-CD2 4.24Å
31I98.8Very high90Very high0 Ų028.5 Ų28.50%014%0.144CC..EExtended strand (participates in β ladder)trans-94.5118.2170-45.4174.6000108.5A136 F138 F150 L154 L172 L173 H175I31-A136 HydrophobicContact CG1-CB 4.3Å; I31-F138 HydrophobicContact CG2-CD1 4.11Å; I31-F138 HydrophobicContact CG2-CE1 3.74Å; I31-F150 HydrophobicContact CD1-CZ 4.46Å; I31-F150 HydrophobicContact CG2-CZ 4.21Å; I31-L154 HydrophobicContact CD1-CD2 3.8Å; I31-L154 HydrophobicContact CG1-CD2 4.49Å; I31-L172 HydrophobicContact CD1-CD1 3.99Å; I31-L172 HydrophobicContact CD1-CD2 4.35Å; I31-L172 HydrophobicContact CD1-CG 4.31Å; I31-L172 HydrophobicContact CG1-CD1 4.05Å; I31-L173 PolarHBondContact N-O 2.84Å; I31-H175 PolarHBondContact O-N 3.34Å
32P98Very high92.5Very high0 Ų025.2 Ų25.20%012%0.123CC..  trans-71.6165.5-178.229.1-33.9000113.3G36 C37 I100 Y113 A136 F138 G178P32-G36 WeakPolarHBondContact CB-O 3.44Å; P32-C37 HydrophobicContact CB-CB 4.49Å; P32-C37 HydrophobicContact CG-CB 4.09Å; P32-I100 HydrophobicContact CB-CG2 3.97Å; P32-I100 HydrophobicContact CG-CG2 3.96Å; P32-Y113 HydrophobicContact CB-CE1 3.91Å; P32-A136 WeakPolarHBondContact CD-O 3.39Å; P32-F138 HydrophobicContact CG-CD1 4.13Å; P32-F138 HydrophobicContact CG-CE1 3.91Å; P32-F138 WeakPolarHBondContact O-CE1 3.33Å; P32-G178 WeakPolarHBondContact O-CA 3.41Å; P32-G178 PolarHBondContact O-N 3.45Å; P32-G178 VanDerWaalsContact O-N 3.11Å
33G97.3Very high94.5Very high1 Ų120.1 Ų20.11%0.0110%0.101CC..  trans-79.9-172.8174.500000112.9G35 G36 Y113 H175G33-G35 PolarHBondContact O-N 3.05Å; G33-G36 WeakPolarHBondContact O-CA 3.45Å; G33-G36 PolarHBondContact O-N 3.09Å; G33-Y113 PolarHBondContact N-OH 3.19Å; G33-H175 WeakPolarHBondContact CA-O 3.11Å; G33-H175 PolarHBondContact N-O 2.78Å
34D94.9Very high95.8Very high58 Ų5822.5 Ų22.531%0.3111%0.106SC..THydrogen-bonded Turntrans-62.4134.8169.3-177.633.3000109.5G36 F140 L177 L244D34-G36 PolarHBondContact O-N 2.65Å; D34-F140 WeakPolarHBondContact OD1-CD2 3.42Å; D34-L177 HydrophobicContact CB-CB 4.08Å; D34-L177 HydrophobicContact CB-CD2 3.99Å; D34-L244 VanDerWaalsContact OD2-CD2 3.27Å; D34-L244 WeakPolarHBondContact OD2-CD2 3.47Å
35G93.6Very high96.2Very high8 Ų826.4 Ų26.48%0.08213%0.13CC..THydrogen-bonded Turntrans62.92.8-169.500000115.8G33 C37 W54 L103 F140G33-G35 PolarHBondContact O-N 3.05Å; G35-C37 VanDerWaalsContact C-N 3.3Å; G35-C37 PolarHBondContact O-N 2.77Å; G35-W54 VanDerWaalsContact CA-NE1 3.29Å; G35-W54 PolarHBondContact O-NE1 2.92Å; G35-L103 WeakPolarHBondContact O-CD1 3.36Å; G35-F140 VanDerWaalsContact CA-CE2 3.5Å
36G94.6Very high96.3Very high1 Ų127.3 Ų27.31%0.0114%0.14CC..  trans-8311.1-166.700000116.1P32 G33 D34 L103 Y113P32-G36 WeakPolarHBondContact CB-O 3.44Å; G33-G36 WeakPolarHBondContact O-CA 3.45Å; G33-G36 PolarHBondContact O-N 3.09Å; D34-G36 PolarHBondContact O-N 2.65Å; G36-L103 VanDerWaalsContact C-CD2 3.41Å; G36-Y113 WeakPolarHBondContact O-CD1 3.29Å; G36-Y113 WeakPolarHBondContact O-CE1 3.45Å
37C95.7Very high96.2Very high0 Ų034.1 Ų34.10%018%0.182CC..SBendtrans-142.3161.7168.365.30000112P32 G35 S99 I100 P137 F140P32-C37 HydrophobicContact CB-CB 4.49Å; P32-C37 HydrophobicContact CG-CB 4.09Å; G35-C37 VanDerWaalsContact C-N 3.3Å; G35-C37 PolarHBondContact O-N 2.77Å; C37-S99 CarbonylContact C-O 3.21Å; C37-S99 WeakPolarHBondContact CA-O 3.42Å; C37-S99 WeakPolarHBondContact CB-O 3.37Å; C37-I100 HydrophobicContact CB-CG2 3.69Å; C37-P137 HydrophobicContact CB-CB 3.68Å; C37-P137 VanDerWaalsContact SG-CB 3.59Å; C37-F140 WeakPolarHBondContact O-CE1 3.46Å
38Q96.3Very high96Very high4 Ų436.7 Ų36.72%0.01920%0.2CC..  trans-62.8138.6173.9-60.8-165.91100111.4Y40 L52 W54 S99 N102 D104Q38-Y40 HydrophobicContact CB-CE2 4.23Å; Q38-Y40 PolarHBondContact OE1-OH 3.12Å; Q38-L52 HydrophobicContact CB-CD1 3.92Å; Q38-L52 HydrophobicContact CG-CD1 4.18Å; Q38-W54 WeakPolarHBondContact CA-O 3.02Å; Q38-S99 PolarHBondContact N-O 3.45Å; Q38-N102 PolarHBondContact NE2-O 3.06Å; Q38-D104 PolarHBondContact NE2-O 2.85Å
39A96.9Very high95.8Very high0 Ų041.7 Ų41.70%023%0.233CC..EExtended strand (participates in β ladder)trans-124.5138.4168.200000110.2V53 W54 F70 F91 F140A39-V53 HydrophobicContact CB-CG1 4.23Å; A39-V53 WeakPolarHBondContact O-CG1 3.4Å; A39-V53 PolarHBondContact O-N 2.96Å; A39-W54 HydrophobicContact CB-CB 3.83Å; A39-W54 PolarHBondContact N-O 3.35Å; A39-W54 PolarHBondContact O-N 3.08Å; A39-F70 HydrophobicContact CB-CE2 3.79Å; A39-F91 HydrophobicContact CB-CD1 3.64Å; A39-F91 HydrophobicContact CB-CE1 3.35Å; A39-F91 HydrophobicContact CB-CZ 4.01Å; A39-F140 HydrophobicContact CB-CE1 4.45Å
40Y97.4Very high95.6Very high43 Ų4344.1 Ų44.117%0.16925%0.248CC..EExtended strand (participates in β ladder)trans-115.4145.5178.5-80.1-109.1000110.1Q38 P50 F51 L52 V89 Y90 P92Q38-Y40 HydrophobicContact CB-CE2 4.23Å; Q38-Y40 PolarHBondContact OE1-OH 3.12Å; Y40-P50 HydrophobicContact CD1-CB 4.44Å; Y40-F51 CarbonylContact C-O 3.54Å; Y40-F51 VanDerWaalsContact CA-O 3.24Å; Y40-F51 WeakPolarHBondContact CA-O 3.21Å; Y40-F51 WeakPolarHBondContact CD1-O 3.42Å; Y40-L52 HydrophobicContact CD2-CD1 4.01Å; Y40-L52 HydrophobicContact CE1-CB 4.19Å; Y40-L52 HydrophobicContact CE2-CD1 3.55Å; Y40-V89 CarbonylContact O-C 3.53Å; Y40-V89 VanDerWaalsContact O-CA 3.31Å; Y40-V89 WeakPolarHBondContact O-CA 3.36Å; Y40-Y90 HydrophobicContact CG-CE2 4.14Å; Y40-Y90 PolarHBondContact N-O 2.97Å; Y40-Y90 PolarHBondContact O-N 3.03Å; Y40-P92 HydrophobicContact CD2-CG 3.65Å; Y40-P92 HydrophobicContact CE2-CG 3.9Å
41S97.4Very high95.5Very high0 Ų046.2 Ų46.20%026%0.258CS..EExtended strand (participates in β ladder)trans-117.9143.5174.2-170.20000110.2P50 F51 Y69 A87 E88S41-P50 WeakPolarHBondContact O-CA 3.48Å; S41-F51 PolarHBondContact N-O 2.65Å; S41-F51 VanDerWaalsContact O-CD1 3.29Å; S41-F51 WeakPolarHBondContact O-CD1 3.23Å; S41-F51 WeakPolarHBondContact O-CE1 3.46Å; S41-F51 PolarHBondContact O-N 2.91Å; S41-Y69 WeakPolarHBondContact CB-O 3.48Å; S41-Y69 PolarHBondContact OG-O 3.13Å; S41-A87 WeakPolarHBondContact OG-CB 3.49Å; S41-E88 CarbonylContact C-O 3.39Å; S41-E88 WeakPolarHBondContact CA-O 3.38Å
42K97.5Very high95.3Very high87 Ų8746.7 Ų46.738%0.37826%0.26SS..EExtended strand (participates in β ladder)trans-129.2120.2178.1-178.7-170.8174.9-167.40108.6K44 P50 A87 E88K42-K44 PolarHBondContact O-N 3.46Å; K42-P50 HydrophobicContact CB-CB 4.22Å; K42-P50 HydrophobicContact CB-CG 4.11Å; K42-P50 HydrophobicContact CD-CG 4.2Å; K42-P50 HydrophobicContact CG-CG 4.08Å; K42-A87 CarbonylContact O-C 3.6Å; K42-A87 VanDerWaalsContact O-CA 3.23Å; K42-A87 WeakPolarHBondContact O-CA 3.17Å; K42-E88 PolarHBondContact N-O 3.29Å; K42-E88 PolarHBondContact O-N 2.94Å
43L96.7Very high95.1Very high43 Ų4346.8 Ų46.823%0.22526%0.261CS..EExtended strand (participates in β ladder)trans-69.2128.3179.1-57.7-174.7000110.6F51 Y69 I86 A87L43-F51 HydrophobicContact CD2-CE1 4.17Å; L43-F51 HydrophobicContact CD2-CZ 4.21Å; L43-F51 HydrophobicContact CG-CE1 4.06Å; L43-Y69 HydrophobicContact CD2-CD1 3.67Å; L43-Y69 HydrophobicContact CD2-CE1 3.72Å; L43-Y69 HydrophobicContact CD2-CG 4.48Å; L43-I86 CarbonylContact C-O 3.53Å; L43-I86 WeakPolarHBondContact CA-O 3.24Å; L43-A87 HydrophobicContact CD2-CB 4.19Å
44K95.2Very high94.8Very high92 Ų9247.9 Ų47.940%0.426%0.264SS..THydrogen-bonded Turntrans-66.9148.6171.2-54.8-161.4-16886.70109.3K42 S46 P84 D85 I86 A87K42-K44 PolarHBondContact O-N 3.46Å; K44-S46 PolarHBondContact O-N 3.02Å; K44-S46 VanDerWaalsContact O-N 3.1Å; K44-P84 PolarHBondContact NZ-O 3.12Å; K44-D85 WeakPolarHBondContact CD-O 3.3Å; K44-D85 PolarHBondContact NZ-O 2.85Å; K44-I86 PolarHBondContact N-O 2.82Å; K44-A87 VanDerWaalsContact CE-O 3.31Å; K44-A87 WeakPolarHBondContact CE-O 3.47Å; K44-A87 PolarHBondContact NZ-O 2.79Å
45N92.1Very high94.2Very high183 Ų18345.7 Ų45.798%0.97925%0.253SS*.THydrogen-bonded Turntrans56.919.9-177.4-53.4-21.7000114.8
46S92.3Very high93.6Very high47 Ų4746 Ų4633%0.32925%0.253SS..  trans-115.5147.8174.1-165.50000111K44 S48K44-S46 PolarHBondContact O-N 3.02Å; K44-S46 VanDerWaalsContact O-N 3.1Å; S46-S48 VanDerWaalsContact C-N 3.26Å; S46-S48 WeakPolarHBondContact OG-CB 3.49Å; S46-S48 PolarHBondContact OG-N 2.81Å; S46-S48 PolarHBondContact OG-OG 2.98Å
47T92.5Very high92.9Very high149 Ų14949 Ų4991%0.91427%0.268SS*.  trans-83.5-1.5168500000112.9
48S92.7Very high92.3Very high55 Ų5556.4 Ų56.439%0.38530%0.296SS..PPolyproline II helixtrans-60.6138.8178.7-540000111.1S46S46-S48 VanDerWaalsContact C-N 3.26Å; S46-S48 WeakPolarHBondContact OG-CB 3.49Å; S46-S48 PolarHBondContact OG-N 2.81Å; S46-S48 PolarHBondContact OG-OG 2.98Å
49P94.7Very high91.7Very high104 Ų10457.2 Ų57.268%0.67530%0.299SS*.PPolyproline II helixtrans-63.1155.8169.129.8-35.2000110.2
50P95.7Very high90.8Very high51 Ų5157.7 Ų57.733%0.33130%0.301SS..PPolyproline II helixtrans-57148.1168.1-2233000111.9Y40 S41 K42 Y90Y40-P50 HydrophobicContact CD1-CB 4.44Å; S41-P50 WeakPolarHBondContact O-CA 3.48Å; K42-P50 HydrophobicContact CB-CB 4.22Å; K42-P50 HydrophobicContact CB-CG 4.11Å; K42-P50 HydrophobicContact CD-CG 4.2Å; K42-P50 HydrophobicContact CG-CG 4.08Å; P50-Y90 HydrophobicContact CB-CE1 3.82Å; P50-Y90 WeakPolarHBondContact CB-OH 3.31Å; P50-Y90 HydrophobicContact CG-CE1 4.1Å; P50-Y90 WeakPolarHBondContact CG-OH 3.49Å
51F94.8Very high90.2Very high44 Ų4460 Ų6019%0.19332%0.316CS..EExtended strand (participates in β ladder)trans-126.6151.2178.954.9-86.6000110.3Y40 S41 L43 V53 Y59 Y69Y40-F51 CarbonylContact C-O 3.54Å; Y40-F51 VanDerWaalsContact CA-O 3.24Å; Y40-F51 WeakPolarHBondContact CA-O 3.21Å; Y40-F51 WeakPolarHBondContact CD1-O 3.42Å; S41-F51 PolarHBondContact N-O 2.65Å; S41-F51 VanDerWaalsContact O-CD1 3.29Å; S41-F51 WeakPolarHBondContact O-CD1 3.23Å; S41-F51 WeakPolarHBondContact O-CE1 3.46Å; S41-F51 PolarHBondContact O-N 2.91Å; L43-F51 HydrophobicContact CD2-CE1 4.17Å; L43-F51 HydrophobicContact CD2-CZ 4.21Å; L43-F51 HydrophobicContact CG-CE1 4.06Å; F51-V53 HydrophobicContact CD2-CB 4.45Å; F51-V53 HydrophobicContact CE2-CB 4.19Å; F51-V53 HydrophobicContact CE2-CG2 4.27Å; F51-V53 PolarHBondContact O-N 3.36Å; F51-Y59 VanDerWaalsContact CD2-OH 3.25Å; F51-Y59 WeakPolarHBondContact CD2-OH 3.45Å; F51-Y59 WeakPolarHBondContact CE2-OH 3.43Å; F51-Y69 AromaticContact CE2-CD2 3.93Å; F51-Y69 HydrophobicContact CE2-CD2 3.93Å; F51-Y69 HydrophobicContact CE2-CG 4.3Å; F51-Y69 AromaticContact CZ-CD2 3.87Å; F51-Y69 HydrophobicContact CZ-CD2 3.87Å; F51-Y69 HydrophobicContact CZ-CE2 4.43Å; F51-Y69 AromaticContact CZ-CG 3.95Å; F51-Y69 HydrophobicContact CZ-CG 3.95Å
52L94.8Very high89.7Confident11 Ų1164.2 Ų64.26%0.05834%0.336CS..EExtended strand (participates in β ladder)trans-61.7124.6170.7-174.276000108.6Q38 Y40 W54 I55 D56 D104Q38-L52 HydrophobicContact CB-CD1 3.92Å; Q38-L52 HydrophobicContact CG-CD1 4.18Å; Y40-L52 HydrophobicContact CD2-CD1 4.01Å; Y40-L52 HydrophobicContact CE1-CB 4.19Å; Y40-L52 HydrophobicContact CE2-CD1 3.55Å; L52-W54 VanDerWaalsContact CD1-O 3.32Å; L52-W54 WeakPolarHBondContact CD1-O 3.22Å; L52-I55 WeakPolarHBondContact CD2-O 3.34Å; L52-D56 HydrophobicContact CD2-CB 4.39Å; L52-D104 HydrophobicContact CD2-CB 4.42Å; L52-D104 WeakPolarHBondContact CD2-OD1 3.45Å
53V93.7Very high89.2Confident1 Ų160.7 Ų60.71%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-111.7-25.717772.90000111.8A39 F51 Y59 L66 F70 V89A39-V53 HydrophobicContact CB-CG1 4.23Å; A39-V53 WeakPolarHBondContact O-CG1 3.4Å; A39-V53 PolarHBondContact O-N 2.96Å; F51-V53 HydrophobicContact CD2-CB 4.45Å; F51-V53 HydrophobicContact CE2-CB 4.19Å; F51-V53 HydrophobicContact CE2-CG2 4.27Å; F51-V53 PolarHBondContact O-N 3.36Å; V53-Y59 HydrophobicContact CG2-CD2 4.47Å; V53-Y59 HydrophobicContact CG2-CE2 4.21Å; V53-L66 HydrophobicContact CG2-CD1 4.06Å; V53-F70 HydrophobicContact CG1-CB 4.47Å; V53-F70 HydrophobicContact CG1-CD2 3.62Å; V53-F70 HydrophobicContact CG1-CE2 4.31Å; V53-F70 HydrophobicContact CG1-CG 4.42Å; V53-F70 HydrophobicContact CG2-CB 3.95Å; V53-V89 HydrophobicContact CG1-CG1 4.48Å
54W92.1Very high88.9Confident24 Ų2460.9 Ų60.99%0.09133%0.334CS..EExtended strand (participates in β ladder)trans-135.9124.1170.5-173.5-88.9000111.3G35 Q38 A39 L52 F70 F140 F224G35-W54 VanDerWaalsContact CA-NE1 3.29Å; G35-W54 PolarHBondContact O-NE1 2.92Å; Q38-W54 WeakPolarHBondContact CA-O 3.02Å; A39-W54 HydrophobicContact CB-CB 3.83Å; A39-W54 PolarHBondContact N-O 3.35Å; A39-W54 PolarHBondContact O-N 3.08Å; L52-W54 VanDerWaalsContact CD1-O 3.32Å; L52-W54 WeakPolarHBondContact CD1-O 3.22Å; W54-F70 HydrophobicContact CB-CE2 4.15Å; W54-F70 HydrophobicContact CB-CZ 4.31Å; W54-F140 HydrophobicContact CB-CZ 4.24Å; W54-F140 AromaticContact CD1-CZ 3.45Å; W54-F140 VanDerWaalsContact CD1-CZ 3.45Å; W54-F140 HydrophobicContact CD2-CZ 4.26Å; W54-F140 HydrophobicContact CG-CE2 4.49Å; W54-F140 AromaticContact CG-CZ 3.72Å; W54-F140 HydrophobicContact CG-CZ 3.72Å; W54-F140 AromaticContact NE1-CZ 3.83Å; W54-F224 HydrophobicContact CH2-CD1 4.33Å; W54-F224 AromaticContact CH2-CE1 3.77Å; W54-F224 HydrophobicContact CH2-CE1 3.77Å; W54-F224 AromaticContact CH2-CE2 3.98Å; W54-F224 HydrophobicContact CH2-CE2 3.98Å; W54-F224 AromaticContact CH2-CZ 3.56Å; W54-F224 HydrophobicContact CH2-CZ 3.56Å; W54-F224 HydrophobicContact CZ3-CE2 4.24Å; W54-F224 HydrophobicContact CZ3-CZ 4.05Å
55I81.2Confident88.8Confident13 Ų1360 Ų607%0.06733%0.33CS..THydrogen-bonded Turncis-100.3125.3-8.3-162.2179.7000110L52 F60 L103 T111L52-I55 WeakPolarHBondContact CD2-O 3.34Å; I55-F60 HydrophobicContact CD1-CE2 3.84Å; I55-F60 HydrophobicContact CD1-CZ 3.81Å; I55-F60 HydrophobicContact CG1-CE2 3.69Å; I55-F60 HydrophobicContact CG1-CZ 4.15Å; I55-L103 HydrophobicContact CB-CB 4.28Å; I55-L103 HydrophobicContact CG2-CB 3.43Å; I55-L103 VanDerWaalsContact CG2-CB 3.43Å; I55-L103 PolarHBondContact N-O 2.98Å; I55-T111 HydrophobicContact CG2-CG2 3.41Å; I55-T111 VanDerWaalsContact CG2-CG2 3.41Å
56D82.1Confident88.8Confident14 Ų1451.5 Ų51.58%0.07529%0.285CS..  trans-129.4120.61721661.6000108.2L52 R58 Y59L52-D56 HydrophobicContact CD2-CB 4.39Å; D56-R58 PolarHBondContact O-N 3.38Å; D56-R58 VanDerWaalsContact O-N 3.11Å; D56-R58 VanDerWaalsContact OD1-CB 3.22Å; D56-R58 WeakPolarHBondContact OD1-CB 3.42Å; D56-R58 VanDerWaalsContact OD1-CG 3.23Å; D56-R58 WeakPolarHBondContact OD1-CG 3.44Å; D56-R58 PolarHBondContact OD1-N 2.9Å; D56-R58 IonicContact OD1-NE 3.22Å; D56-R58 PolarHBondContact OD1-NE 3.47Å; D56-R58 VanDerWaalsContact OD1-NE 3.16Å; D56-R58 IonicContact OD2-CZ 3.45Å; D56-R58 IonicContact OD2-NE 2.7Å; D56-R58 PolarHBondContact OD2-NE 2.93Å; D56-R58 IonicContact OD2-NH2 3.46Å; D56-R58 PolarHBondContact OD2-NH2 2.67Å; D56-Y59 HydrophobicContact CB-CD2 3.79Å; D56-Y59 HydrophobicContact CB-CE2 4.01Å; D56-Y59 PolarHBondContact O-N 2.78Å; D56-Y59 WeakPolarHBondContact OD2-CE2 3.15Å
57L80Confident88.9Confident64 Ų6452 Ų5234%0.33528%0.283SS..THydrogen-bonded Turntrans-63.9-16.4-173.8-59.1-179.8000113.2Y59 F60L57-Y59 VanDerWaalsContact C-N 3.29Å; L57-Y59 PolarHBondContact O-N 3.25Å; L57-F60 HydrophobicContact CD2-CD2 4.34Å; L57-F60 HydrophobicContact CD2-CE2 4.45Å; L57-F60 WeakPolarHBondContact O-CB 3.43Å; L57-F60 PolarHBondContact O-N 3.38Å
58R83.4Confident89Confident155 Ų15549.7 Ų49.759%0.58526%0.262SS*.Hα-helixtrans-62.4-36.6171.8-62.1178.6-65.4179.52.6111.6D56 F60 L61 E62D56-R58 PolarHBondContact O-N 3.38Å; D56-R58 VanDerWaalsContact O-N 3.11Å; D56-R58 VanDerWaalsContact OD1-CB 3.22Å; D56-R58 WeakPolarHBondContact OD1-CB 3.42Å; D56-R58 VanDerWaalsContact OD1-CG 3.23Å; D56-R58 WeakPolarHBondContact OD1-CG 3.44Å; D56-R58 PolarHBondContact OD1-N 2.9Å; D56-R58 IonicContact OD1-NE 3.22Å; D56-R58 PolarHBondContact OD1-NE 3.47Å; D56-R58 VanDerWaalsContact OD1-NE 3.16Å; D56-R58 IonicContact OD2-CZ 3.45Å; D56-R58 IonicContact OD2-NE 2.7Å; D56-R58 PolarHBondContact OD2-NE 2.93Å; D56-R58 IonicContact OD2-NH2 3.46Å; D56-R58 PolarHBondContact OD2-NH2 2.67Å; R58-F60 PolarHBondContact O-N 3.14Å; R58-L61 WeakPolarHBondContact O-CB 3.49Å; R58-L61 PolarHBondContact O-N 2.66Å; R58-E62 PolarHBondContact O-N 3.25Å; R58-E62 VanDerWaalsContact O-N 3.16Å
59Y82.5Confident89.2Confident22 Ų2249 Ų499%0.08625%0.252CS..Hα-helixtrans-71.6-14.9178.7-67-61000113.9F51 V53 D56 L57 L61 E62 P63 K65 L66 Y69F51-Y59 VanDerWaalsContact CD2-OH 3.25Å; F51-Y59 WeakPolarHBondContact CD2-OH 3.45Å; F51-Y59 WeakPolarHBondContact CE2-OH 3.43Å; V53-Y59 HydrophobicContact CG2-CD2 4.47Å; V53-Y59 HydrophobicContact CG2-CE2 4.21Å; D56-Y59 HydrophobicContact CB-CD2 3.79Å; D56-Y59 HydrophobicContact CB-CE2 4.01Å; D56-Y59 PolarHBondContact O-N 2.78Å; D56-Y59 WeakPolarHBondContact OD2-CE2 3.15Å; L57-Y59 VanDerWaalsContact C-N 3.29Å; L57-Y59 PolarHBondContact O-N 3.25Å; Y59-L61 VanDerWaalsContact C-N 3.31Å; Y59-E62 CarbonylContact O-C 3.51Å; Y59-E62 PolarHBondContact O-N 3.44Å; Y59-P63 WeakPolarHBondContact O-CA 3.32Å; Y59-P63 VanDerWaalsContact O-N 3.15Å; Y59-K65 HydrophobicContact CD1-CB 4.07Å; Y59-K65 HydrophobicContact CE1-CB 4Å; Y59-L66 HydrophobicContact CD1-CB 4.39Å; Y59-L66 HydrophobicContact CG-CB 4.46Å; Y59-L66 HydrophobicContact CG-CD1 4.21Å; Y59-Y69 AromaticContact CE1-CD2 3.81Å; Y59-Y69 HydrophobicContact CE1-CD2 3.81Å; Y59-Y69 HydrophobicContact CE1-CE2 4.14Å
60F78.2Confident89.3Confident10 Ų1044.2 Ų44.24%0.04422%0.22CC..Hα-helixtrans-74.3-24.1169.7-73.2-110.4000112.1I55 L57 R58 F224 V226 R229 F234I55-F60 HydrophobicContact CD1-CE2 3.84Å; I55-F60 HydrophobicContact CD1-CZ 3.81Å; I55-F60 HydrophobicContact CG1-CE2 3.69Å; I55-F60 HydrophobicContact CG1-CZ 4.15Å; L57-F60 HydrophobicContact CD2-CD2 4.34Å; L57-F60 HydrophobicContact CD2-CE2 4.45Å; L57-F60 WeakPolarHBondContact O-CB 3.43Å; L57-F60 PolarHBondContact O-N 3.38Å; R58-F60 PolarHBondContact O-N 3.14Å; F60-F224 HydrophobicContact CE1-CB 4.12Å; F60-F224 AromaticContact CE1-CD2 3.67Å; F60-F224 HydrophobicContact CE1-CD2 3.67Å; F60-F224 HydrophobicContact CE1-CG 4.24Å; F60-F224 AromaticContact CZ-CD2 3.95Å; F60-F224 HydrophobicContact CZ-CD2 3.95Å; F60-F224 HydrophobicContact CZ-CG 4.47Å; F60-V226 HydrophobicContact CD1-CB 4.07Å; F60-V226 HydrophobicContact CD1-CG1 4.28Å; F60-V226 HydrophobicContact CD1-CG2 3.74Å; F60-V226 HydrophobicContact CE1-CG2 3.82Å; F60-R229 WeakPolarHBondContact O-CG 3.22Å; F60-F234 HydrophobicContact CB-CZ 4.37Å; F60-F234 HydrophobicContact CD1-CE1 4.32Å; F60-F234 AromaticContact CD1-CZ 3.98Å; F60-F234 HydrophobicContact CD1-CZ 3.98Å; F60-F234 HydrophobicContact CG-CZ 4.36Å
61L83.9Confident89.3Confident91 Ų9142 Ų4248%0.47621%0.206SC..Hα-helixtrans-82.9-31.4169.1-58.3178.8000111.3R58 Y59 P63 L228 R229R58-L61 WeakPolarHBondContact O-CB 3.49Å; R58-L61 PolarHBondContact O-N 2.66Å; Y59-L61 VanDerWaalsContact C-N 3.31Å; L61-P63 VanDerWaalsContact C-CD 3.41Å; L61-P63 WeakPolarHBondContact O-CD 3.42Å; L61-L228 HydrophobicContact CD2-CD1 4.12Å; L61-R229 PolarHBondContact O-NE 2.94Å; L61-R229 VanDerWaalsContact O-NE 3.1Å; L61-R229 PolarHBondContact O-NH2 3.25Å
62E87.6Confident89.5Confident89 Ų8940.2 Ų40.242%0.41620%0.199SC..  trans-121.361.7-176-58.4-162.2-92.400114.2R58 Y59 G64 K65 L66R58-E62 PolarHBondContact O-N 3.25Å; R58-E62 VanDerWaalsContact O-N 3.16Å; Y59-E62 CarbonylContact O-C 3.51Å; Y59-E62 PolarHBondContact O-N 3.44Å; E62-G64 PolarHBondContact O-N 2.85Å; E62-G64 VanDerWaalsContact O-N 3.1Å; E62-K65 HydrophobicContact CB-CB 4.24Å; E62-K65 HydrophobicContact CB-CD 4.13Å; E62-K65 HydrophobicContact CB-CG 4.38Å; E62-K65 WeakPolarHBondContact O-CB 3.36Å; E62-K65 PolarHBondContact O-N 3.14Å; E62-K65 IonicContact OE1-NZ 2.92Å; E62-K65 PolarHBondContact OE1-NZ 3.13Å; E62-K65 WeakPolarHBondContact OE2-CD 3.26Å; E62-K65 WeakPolarHBondContact OE2-CE 3.47Å; E62-K65 IonicContact OE2-NZ 2.84Å; E62-K65 PolarHBondContact OE2-NZ 3.24Å; E62-L66 PolarHBondContact O-N 3.39Å
63P86.7Confident89.6Confident12 Ų1242.2 Ų42.28%0.07821%0.211CC..Hα-helixtrans-63.9-20.1-176.625.4-34.8000113.9Y59 L61 L66 N67 F234Y59-P63 WeakPolarHBondContact O-CA 3.32Å; Y59-P63 VanDerWaalsContact O-N 3.15Å; L61-P63 VanDerWaalsContact C-CD 3.41Å; L61-P63 WeakPolarHBondContact O-CD 3.42Å; P63-L66 WeakPolarHBondContact O-CB 3.42Å; P63-L66 PolarHBondContact O-N 3.09Å; P63-N67 PolarHBondContact O-N 2.85Å; P63-F234 HydrophobicContact CB-CD1 3.86Å; P63-F234 HydrophobicContact CB-CE1 3.84Å; P63-F234 HydrophobicContact CB-CG 4.41Å; P63-F234 HydrophobicContact CB-CZ 4.37Å
64G91.3Very high89.7Confident48 Ų4843.1 Ų43.150%0.49522%0.215SC..Hα-helixtrans-64-37.2169.500000113.4E62 Q68E62-G64 PolarHBondContact O-N 2.85Å; E62-G64 VanDerWaalsContact O-N 3.1Å; G64-Q68 WeakPolarHBondContact O-CG 3.44Å; G64-Q68 PolarHBondContact O-N 3.11Å
65K92.6Very high90Very high74 Ų7444.5 Ų44.532%0.32222%0.224SC..Hα-helixtrans-71.7-37.7172.1-77179.2179.2158.20111.5Y59 E62 N67 Q68 Y69Y59-K65 HydrophobicContact CD1-CB 4.07Å; Y59-K65 HydrophobicContact CE1-CB 4Å; E62-K65 HydrophobicContact CB-CB 4.24Å; E62-K65 HydrophobicContact CB-CD 4.13Å; E62-K65 HydrophobicContact CB-CG 4.38Å; E62-K65 WeakPolarHBondContact O-CB 3.36Å; E62-K65 PolarHBondContact O-N 3.14Å; E62-K65 IonicContact OE1-NZ 2.92Å; E62-K65 PolarHBondContact OE1-NZ 3.13Å; E62-K65 WeakPolarHBondContact OE2-CD 3.26Å; E62-K65 WeakPolarHBondContact OE2-CE 3.47Å; E62-K65 IonicContact OE2-NZ 2.84Å; E62-K65 PolarHBondContact OE2-NZ 3.24Å; K65-N67 VanDerWaalsContact C-N 3.31Å; K65-N67 PolarHBondContact O-N 2.91Å; K65-Q68 PolarHBondContact O-N 2.9Å; K65-Q68 VanDerWaalsContact O-N 3.14Å; K65-Y69 HydrophobicContact CB-CD2 4.15Å; K65-Y69 HydrophobicContact CB-CE2 3.76Å; K65-Y69 HydrophobicContact CD-CE2 4.22Å; K65-Y69 HydrophobicContact CG-CE2 4.03Å; K65-Y69 VanDerWaalsContact O-CD2 3.29Å; K65-Y69 WeakPolarHBondContact O-CD2 3.07Å; K65-Y69 VanDerWaalsContact O-CG 3.32Å; K65-Y69 PolarHBondContact O-N 2.85Å
66L92.6Very high90.6Very high4 Ų446.9 Ų46.92%0.02124%0.24CC..Hα-helixtrans-56.2-48.3173.7-171.156.6000110.6V53 Y59 E62 P63 Q68 Y69 F70 F234 V237V53-L66 HydrophobicContact CG2-CD1 4.06Å; Y59-L66 HydrophobicContact CD1-CB 4.39Å; Y59-L66 HydrophobicContact CG-CB 4.46Å; Y59-L66 HydrophobicContact CG-CD1 4.21Å; E62-L66 PolarHBondContact O-N 3.39Å; P63-L66 WeakPolarHBondContact O-CB 3.42Å; P63-L66 PolarHBondContact O-N 3.09Å; L66-Q68 VanDerWaalsContact C-N 3.32Å; L66-Q68 PolarHBondContact O-N 2.88Å; L66-Y69 PolarHBondContact O-N 3.21Å; L66-F70 HydrophobicContact CD1-CB 3.88Å; L66-F70 HydrophobicContact CD1-CD1 4.33Å; L66-F70 HydrophobicContact CD1-CG 4.26Å; L66-F70 HydrophobicContact CG-CB 4.48Å; L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 2.89Å; L66-F234 HydrophobicContact CD2-CD1 4.39Å; L66-V237 HydrophobicContact CD2-CG1 4.28Å; L66-V237 HydrophobicContact CG-CG1 4.41Å
67N94.3Very high91.2Very high56 Ų5652.3 Ų52.330%0.29927%0.274SS..Hα-helixtrans-56.8-44.6175.2-168.248.8000112.7P63 K65 Y69 G71 P236 V237P63-N67 PolarHBondContact O-N 2.85Å; K65-N67 VanDerWaalsContact C-N 3.31Å; K65-N67 PolarHBondContact O-N 2.91Å; N67-Y69 PolarHBondContact O-N 3.31Å; N67-G71 WeakPolarHBondContact O-CA 3.43Å; N67-G71 PolarHBondContact O-N 3.21Å; N67-G71 VanDerWaalsContact O-N 3.13Å; N67-P236 PolarHBondContact OD1-O 3.33Å; N67-V237 HydrophobicContact CB-CB 3.91Å; N67-V237 WeakPolarHBondContact OD1-CA 3.24Å; N67-V237 WeakPolarHBondContact OD1-CB 3.46Å; N67-V237 PolarHBondContact OD1-N 3.24Å
68Q95.1Very high92Very high101 Ų10153.3 Ų53.347%0.47228%0.282SS..Hα-helixtrans-67.2-30.7-179.7-73.8174.1-0.200114.3G64 K65 L66 I86G64-Q68 WeakPolarHBondContact O-CG 3.44Å; G64-Q68 PolarHBondContact O-N 3.11Å; K65-Q68 PolarHBondContact O-N 2.9Å; K65-Q68 VanDerWaalsContact O-N 3.14Å; L66-Q68 VanDerWaalsContact C-N 3.32Å; L66-Q68 PolarHBondContact O-N 2.88Å; Q68-I86 HydrophobicContact CB-CD1 4.03Å; Q68-I86 WeakPolarHBondContact O-CG1 3.44Å
69Y95.7Very high92.6Very high41 Ų4150 Ų5016%0.16127%0.27CS..Hα-helixtrans-106.9-12.3-173.3-54.2-30.3000114.6S41 L43 F51 Y59 K65 L66 N67 I86 V89S41-Y69 WeakPolarHBondContact CB-O 3.48Å; S41-Y69 PolarHBondContact OG-O 3.13Å; L43-Y69 HydrophobicContact CD2-CD1 3.67Å; L43-Y69 HydrophobicContact CD2-CE1 3.72Å; L43-Y69 HydrophobicContact CD2-CG 4.48Å; F51-Y69 AromaticContact CE2-CD2 3.93Å; F51-Y69 HydrophobicContact CE2-CD2 3.93Å; F51-Y69 HydrophobicContact CE2-CG 4.3Å; F51-Y69 AromaticContact CZ-CD2 3.87Å; F51-Y69 HydrophobicContact CZ-CD2 3.87Å; F51-Y69 HydrophobicContact CZ-CE2 4.43Å; F51-Y69 AromaticContact CZ-CG 3.95Å; F51-Y69 HydrophobicContact CZ-CG 3.95Å; Y59-Y69 AromaticContact CE1-CD2 3.81Å; Y59-Y69 HydrophobicContact CE1-CD2 3.81Å; Y59-Y69 HydrophobicContact CE1-CE2 4.14Å; K65-Y69 HydrophobicContact CB-CD2 4.15Å; K65-Y69 HydrophobicContact CB-CE2 3.76Å; K65-Y69 HydrophobicContact CD-CE2 4.22Å; K65-Y69 HydrophobicContact CG-CE2 4.03Å; K65-Y69 VanDerWaalsContact O-CD2 3.29Å; K65-Y69 WeakPolarHBondContact O-CD2 3.07Å; K65-Y69 VanDerWaalsContact O-CG 3.32Å; K65-Y69 PolarHBondContact O-N 2.85Å; L66-Y69 PolarHBondContact O-N 3.21Å; N67-Y69 PolarHBondContact O-N 3.31Å; Y69-I86 HydrophobicContact CD1-CD1 3.91Å; Y69-I86 HydrophobicContact CE1-CD1 3.79Å; Y69-V89 VanDerWaalsContact O-CG2 3.24Å; Y69-V89 WeakPolarHBondContact O-CG2 3.43Å
70F96.2Very high93.2Very high4 Ų453.6 Ų53.62%0.01829%0.286CS..Hα-helixtrans-131.9-32.6-173.5-171.9-111.9000114.1A39 V53 W54 L66 V89 F91 F140 R141 V237 L241A39-F70 HydrophobicContact CB-CE2 3.79Å; V53-F70 HydrophobicContact CG1-CB 4.47Å; V53-F70 HydrophobicContact CG1-CD2 3.62Å; V53-F70 HydrophobicContact CG1-CE2 4.31Å; V53-F70 HydrophobicContact CG1-CG 4.42Å; V53-F70 HydrophobicContact CG2-CB 3.95Å; W54-F70 HydrophobicContact CB-CE2 4.15Å; W54-F70 HydrophobicContact CB-CZ 4.31Å; L66-F70 HydrophobicContact CD1-CB 3.88Å; L66-F70 HydrophobicContact CD1-CD1 4.33Å; L66-F70 HydrophobicContact CD1-CG 4.26Å; L66-F70 HydrophobicContact CG-CB 4.48Å; L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 2.89Å; F70-V89 HydrophobicContact CD2-CG1 3.96Å; F70-V89 HydrophobicContact CE2-CG1 4.22Å; F70-F91 HydrophobicContact CE2-CE1 4.44Å; F70-F91 HydrophobicContact CE2-CZ 4.34Å; F70-F140 HydrophobicContact CE1-CE2 4.35Å; F70-F140 HydrophobicContact CE2-CZ 4.31Å; F70-F140 AromaticContact CZ-CE2 3.63Å; F70-F140 HydrophobicContact CZ-CE2 3.63Å; F70-F140 AromaticContact CZ-CZ 3.7Å; F70-F140 HydrophobicContact CZ-CZ 3.7Å; F70-R141 HydrophobicContact CD1-CG 4.48Å; F70-R141 HydrophobicContact CE1-CG 3.7Å; F70-R141 HydrophobicContact CE2-CG 3.94Å; F70-R141 HydrophobicContact CZ-CG 3.38Å; F70-R141 VanDerWaalsContact O-CD 3.22Å; F70-R141 WeakPolarHBondContact O-CD 3.31Å; F70-R141 PolarHBondContact O-NH1 2.86Å; F70-V237 HydrophobicContact CD1-CG2 4.22Å; F70-L241 HydrophobicContact CE1-CD1 4.32Å
71G96.5Very high94.1Very high3 Ų353.5 Ų53.53%0.03129%0.286CS..  trans-63.4139.9-178.100000112.5N67 P84 T240N67-G71 WeakPolarHBondContact O-CA 3.43Å; N67-G71 PolarHBondContact O-N 3.21Å; N67-G71 VanDerWaalsContact O-N 3.13Å; G71-P84 WeakPolarHBondContact O-CB 3.43Å; G71-P84 WeakPolarHBondContact O-CD 3.25Å; G71-P84 WeakPolarHBondContact O-CG 3.35Å; G71-T240 WeakPolarHBondContact CA-OG1 3.29Å
72L98.2Very high94.8Very high7 Ų754.2 Ų54.24%0.03728%0.283CS..  trans-83.3157.8179.8-69.5164.2000111.3R82 R141 K142 T240 L241L72-R82 WeakPolarHBondContact CA-O 3.23Å; L72-R82 VanDerWaalsContact CD2-O 3.3Å; L72-R82 WeakPolarHBondContact CD2-O 3.27Å; L72-R141 HydrophobicContact CD1-CB 3.65Å; L72-R141 HydrophobicContact CG-CB 4.3Å; L72-K142 HydrophobicContact CD1-CG 3.77Å; L72-T240 WeakPolarHBondContact CB-O 3.21Å; L72-T240 PolarHBondContact N-OG1 2.76Å; L72-T240 VanDerWaalsContact O-CB 3.26Å; L72-T240 WeakPolarHBondContact O-CB 3.26Å; L72-T240 WeakPolarHBondContact O-CG2 3.37Å; L72-L241 HydrophobicContact CD1-CD2 4.46Å
73V97.6Very high95.3Very high54 Ų5451.7 Ų51.733%0.32727%0.272SS..EExtended strand (participates in β ladder)trans-107.5113.2163.7-178.10000107.7S81 R82V73-S81 WeakPolarHBondContact O-CA 3.25Å; V73-R82 HydrophobicContact CB-CG 4.02Å; V73-R82 PolarHBondContact N-O 3.42Å; V73-R82 WeakPolarHBondContact O-CG 3.32Å; V73-R82 PolarHBondContact O-N 2.89Å
74Y97.1Very high95.7Very high20 Ų2051.6 Ų51.68%0.07827%0.272CS..EExtended strand (participates in β ladder)trans-88.8129.2175.2173.2-86.3000110.6P76 R79 I284 Q287 M288 D291Y74-P76 HydrophobicContact CE1-CB 4.11Å; Y74-R79 WeakPolarHBondContact OH-CD 3.4Å; Y74-R79 PolarHBondContact OH-NE 2.98Å; Y74-I284 HydrophobicContact CD1-CG2 3.47Å; Y74-I284 VanDerWaalsContact CD1-CG2 3.47Å; Y74-I284 HydrophobicContact CE1-CG2 3.95Å; Y74-I284 HydrophobicContact CG-CG2 4.05Å; Y74-Q287 HydrophobicContact CE1-CB 4.27Å; Y74-Q287 WeakPolarHBondContact OH-CB 3.39Å; Y74-Q287 PolarHBondContact OH-OE1 2.98Å; Y74-M288 VanDerWaalsContact CB-CE 3.43Å; Y74-M288 HydrophobicContact CD1-CE 4.5Å; Y74-M288 HydrophobicContact CD2-CE 3.96Å; Y74-M288 HydrophobicContact CD2-CG 3.84Å; Y74-M288 HydrophobicContact CE2-CG 3.94Å; Y74-M288 HydrophobicContact CG-CE 3.73Å; Y74-M288 HydrophobicContact CG-CG 4.3Å; Y74-D291 PolarHBondContact OH-OD2 2.88Å
75D96.5Very high95.9Very high52 Ų5254.3 Ų54.328%0.27828%0.275SS..EExtended strand (participates in β ladder)trans-97.3114.9174.7171.518.4000110.7V77 T78 R79 K80D75-V77 PolarHBondContact O-N 2.83Å; D75-V77 WeakPolarHBondContact OD1-CB 3.38Å; D75-V77 PolarHBondContact OD1-N 3.37Å; D75-T78 VanDerWaalsContact OD2-CB 3.28Å; D75-T78 WeakPolarHBondContact OD2-CB 3.26Å; D75-T78 VanDerWaalsContact OD2-CG2 3.24Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.43Å; D75-T78 PolarHBondContact OD2-N 3.39Å; D75-T78 VanDerWaalsContact OD2-N 3.09Å; D75-T78 PolarHBondContact OD2-OG1 2.64Å; D75-R79 WeakPolarHBondContact O-CA 3.4Å; D75-R79 PolarHBondContact O-N 3.4Å; D75-K80 PolarHBondContact N-O 3.1Å
76P94.3Very high96.1Very high64 Ų6454.7 Ų54.742%0.41628%0.28SS..THydrogen-bonded Turntrans-70-12.8179.531-36.4000114.1Y74 R79Y74-P76 HydrophobicContact CE1-CB 4.11Å; P76-R79 VanDerWaalsContact O-CD 3.31Å; P76-R79 WeakPolarHBondContact O-CD 3.16Å
77V95.7Very high96.3Very high127 Ų12754.5 Ų54.577%0.7728%0.279SS*.THydrogen-bonded Turntrans-85.8-52.2177-175.10000110.6D75D75-V77 PolarHBondContact O-N 2.83Å; D75-V77 WeakPolarHBondContact OD1-CB 3.38Å; D75-V77 PolarHBondContact OD1-N 3.37Å
78T96.2Very high96.4Very high85 Ų8556.7 Ų56.752%0.52129%0.287SS..THydrogen-bonded Turntrans-83.1-8.7177.760.60000114.7D75 K80D75-T78 VanDerWaalsContact OD2-CB 3.28Å; D75-T78 WeakPolarHBondContact OD2-CB 3.26Å; D75-T78 VanDerWaalsContact OD2-CG2 3.24Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.43Å; D75-T78 PolarHBondContact OD2-N 3.39Å; D75-T78 VanDerWaalsContact OD2-N 3.09Å; D75-T78 PolarHBondContact OD2-OG1 2.64Å; T78-K80 VanDerWaalsContact C-N 3.29Å; T78-K80 PolarHBondContact O-N 3.45Å
79R95.1Very high96.6Very high85 Ų8552.4 Ų52.432%0.32127%0.268SS..THydrogen-bonded Turntrans59.637.6-179.8-51.8-61.9-68.5-138.1-12.7112.7Y74 D75 P76 D291Y74-R79 WeakPolarHBondContact OH-CD 3.4Å; Y74-R79 PolarHBondContact OH-NE 2.98Å; D75-R79 WeakPolarHBondContact O-CA 3.4Å; D75-R79 PolarHBondContact O-N 3.4Å; P76-R79 VanDerWaalsContact O-CD 3.31Å; P76-R79 WeakPolarHBondContact O-CD 3.16Å; R79-D291 IonicContact CZ-OD1 3.48Å; R79-D291 IonicContact CZ-OD2 3.27Å; R79-D291 VanDerWaalsContact CZ-OD2 3.27Å; R79-D291 IonicContact NE-OD1 3.45Å; R79-D291 PolarHBondContact NE-OD1 2.85Å; R79-D291 IonicContact NE-OD2 2.75Å; R79-D291 PolarHBondContact NE-OD2 2.83Å; R79-D291 IonicContact NH2-OD1 2.72Å; R79-D291 PolarHBondContact NH2-OD1 2.9Å; R79-D291 IonicContact NH2-OD2 3.01Å; R79-D291 PolarHBondContact NH2-OD2 2.63Å
80K96.2Very high96.6Very high99 Ų9954.4 Ų54.443%0.4328%0.276SS..EExtended strand (participates in β ladder)trans-140.8150.8-175.7-70.4-174.1-175.7-171.40112.3D75 T78 E148D75-K80 PolarHBondContact N-O 3.1Å; T78-K80 VanDerWaalsContact C-N 3.29Å; T78-K80 PolarHBondContact O-N 3.45Å; K80-E148 IonicContact NZ-OE1 3.66Å; K80-E148 PolarHBondContact NZ-OE1 2.83Å
81S97.7Very high96.7Very high7 Ų755.7 Ų55.75%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-104.6130.7178.2-45.50000111.8V73 K142 E146 P242V73-S81 WeakPolarHBondContact O-CA 3.25Å; S81-K142 WeakPolarHBondContact O-CE 3.4Å; S81-K142 PolarHBondContact O-NZ 3.02Å; S81-E146 WeakPolarHBondContact CA-OE1 3.49Å; S81-E146 WeakPolarHBondContact CB-OE1 3.45Å; S81-E146 PolarHBondContact N-OE1 2.95Å; S81-E146 PolarHBondContact OG-OE1 3.41Å; S81-P242 VanDerWaalsContact OG-CG 3.3Å; S81-P242 WeakPolarHBondContact OG-CG 3.27Å
82R97.1Very high96.7Very high107 Ų10756.8 Ų56.840%0.40429%0.288SS..EExtended strand (participates in β ladder)trans-113.7163.217561.1174.8-172.786.8-13.2110.9L72 V73 D85L72-R82 WeakPolarHBondContact CA-O 3.23Å; L72-R82 VanDerWaalsContact CD2-O 3.3Å; L72-R82 WeakPolarHBondContact CD2-O 3.27Å; V73-R82 HydrophobicContact CB-CG 4.02Å; V73-R82 PolarHBondContact N-O 3.42Å; V73-R82 WeakPolarHBondContact O-CG 3.32Å; V73-R82 PolarHBondContact O-N 2.89Å; R82-D85 IonicContact CZ-OD1 3.71Å; R82-D85 VanDerWaalsContact CZ-OD1 3.22Å; R82-D85 IonicContact CZ-OD2 3.51Å; R82-D85 VanDerWaalsContact NH1-CG 3.25Å; R82-D85 IonicContact NH1-OD1 3.58Å; R82-D85 PolarHBondContact NH1-OD1 3.35Å; R82-D85 IonicContact NH1-OD2 3.66Å; R82-D85 PolarHBondContact NH1-OD2 3.17Å; R82-D85 VanDerWaalsContact NH2-CG 3.31Å; R82-D85 IonicContact NH2-OD1 2.79Å; R82-D85 PolarHBondContact NH2-OD1 3.21Å; R82-D85 IonicContact NH2-OD2 3.54Å; R82-D85 PolarHBondContact NH2-OD2 2.86Å
83D97.9Very high96.6Very high35 Ų3556.8 Ų56.819%0.18729%0.289CS..  trans-61.3156.5171.2-86.4-21.3000112.8V89 R141D83-V89 WeakPolarHBondContact OD1-CB 3.46Å; D83-V89 PolarHBondContact OD2-N 2.91Å; D83-R141 IonicContact OD1-CZ 3.31Å; D83-R141 VanDerWaalsContact OD1-CZ 3.23Å; D83-R141 IonicContact OD1-NH1 2.67Å; D83-R141 PolarHBondContact OD1-NH1 3.11Å; D83-R141 IonicContact OD1-NH2 3.74Å; D83-R141 PolarHBondContact OD1-NH2 3.16Å
84P96.8Very high96.7Very high11 Ų1157.5 Ų57.57%0.07129%0.286CS..  trans-64.2147.8179.627.4-32.3000110.4K44 G71 I86 A87K44-P84 PolarHBondContact NZ-O 3.12Å; G71-P84 WeakPolarHBondContact O-CB 3.43Å; G71-P84 WeakPolarHBondContact O-CD 3.25Å; G71-P84 WeakPolarHBondContact O-CG 3.35Å; P84-I86 PolarHBondContact O-N 2.84Å; P84-A87 HydrophobicContact CG-CB 4.26Å; P84-A87 PolarHBondContact O-N 3.38Å
85D95.7Very high96.8Very high104 Ų10456.6 Ų56.656%0.55628%0.283SS*.THydrogen-bonded Turntrans-56.2-35-170.4-72.5-58.3000113.7K44 R82K44-D85 WeakPolarHBondContact CD-O 3.3Å; K44-D85 PolarHBondContact NZ-O 2.85Å; R82-D85 IonicContact CZ-OD1 3.71Å; R82-D85 VanDerWaalsContact CZ-OD1 3.22Å; R82-D85 IonicContact CZ-OD2 3.51Å; R82-D85 VanDerWaalsContact NH1-CG 3.25Å; R82-D85 IonicContact NH1-OD1 3.58Å; R82-D85 PolarHBondContact NH1-OD1 3.35Å; R82-D85 IonicContact NH1-OD2 3.66Å; R82-D85 PolarHBondContact NH1-OD2 3.17Å; R82-D85 VanDerWaalsContact NH2-CG 3.31Å; R82-D85 IonicContact NH2-OD1 2.79Å; R82-D85 PolarHBondContact NH2-OD1 3.21Å; R82-D85 IonicContact NH2-OD2 3.54Å; R82-D85 PolarHBondContact NH2-OD2 2.86Å
86I96Very high96.8Very high83 Ų8357.4 Ų57.443%0.42629%0.285SS..THydrogen-bonded Turntrans-82.8-9.6-178.570170.3000115.5L43 K44 Q68 Y69 P84L43-I86 CarbonylContact C-O 3.53Å; L43-I86 WeakPolarHBondContact CA-O 3.24Å; K44-I86 PolarHBondContact N-O 2.82Å; Q68-I86 HydrophobicContact CB-CD1 4.03Å; Q68-I86 WeakPolarHBondContact O-CG1 3.44Å; Y69-I86 HydrophobicContact CD1-CD1 3.91Å; Y69-I86 HydrophobicContact CE1-CD1 3.79Å; P84-I86 PolarHBondContact O-N 2.84Å
87A96.5Very high97Very high0 Ų054.4 Ų54.40%027%0.266CS..EExtended strand (participates in β ladder)trans-144.2163.7-174.500000114.7S41 K42 L43 K44 P84S41-A87 WeakPolarHBondContact OG-CB 3.49Å; K42-A87 CarbonylContact O-C 3.6Å; K42-A87 VanDerWaalsContact O-CA 3.23Å; K42-A87 WeakPolarHBondContact O-CA 3.17Å; L43-A87 HydrophobicContact CD2-CB 4.19Å; K44-A87 VanDerWaalsContact CE-O 3.31Å; K44-A87 WeakPolarHBondContact CE-O 3.47Å; K44-A87 PolarHBondContact NZ-O 2.79Å; P84-A87 HydrophobicContact CG-CB 4.26Å; P84-A87 PolarHBondContact O-N 3.38Å
88E97.3Very high97Very high101 Ų10152 Ų5247%0.47224%0.243SC..EExtended strand (participates in β ladder)trans-118.8131.7171.1176.7-178.4-156.300107.3S41 K42S41-E88 CarbonylContact C-O 3.39Å; S41-E88 WeakPolarHBondContact CA-O 3.38Å; K42-E88 PolarHBondContact N-O 3.29Å; K42-E88 PolarHBondContact O-N 2.94Å
89V97.8Very high97Very high12 Ų1248 Ų487%0.07322%0.218CC..EExtended strand (participates in β ladder)trans-119.3127-173.2-174.60000110.1Y40 V53 Y69 F70 D83 F91Y40-V89 CarbonylContact O-C 3.53Å; Y40-V89 VanDerWaalsContact O-CA 3.31Å; Y40-V89 WeakPolarHBondContact O-CA 3.36Å; V53-V89 HydrophobicContact CG1-CG1 4.48Å; Y69-V89 VanDerWaalsContact O-CG2 3.24Å; Y69-V89 WeakPolarHBondContact O-CG2 3.43Å; F70-V89 HydrophobicContact CD2-CG1 3.96Å; F70-V89 HydrophobicContact CE2-CG1 4.22Å; D83-V89 WeakPolarHBondContact OD1-CB 3.46Å; D83-V89 PolarHBondContact OD2-N 2.91Å; V89-F91 HydrophobicContact CG1-CE2 4.04Å; V89-F91 HydrophobicContact CG1-CZ 3.97Å
90Y96.4Very high97.1Very high83 Ų8344 Ų4433%0.32520%0.203SC..EExtended strand (participates in β ladder)trans-137.2156.6-175.668.9-91.8000112.9Y40 P50 P92Y40-Y90 HydrophobicContact CG-CE2 4.14Å; Y40-Y90 PolarHBondContact N-O 2.97Å; Y40-Y90 PolarHBondContact O-N 3.03Å; P50-Y90 HydrophobicContact CB-CE1 3.82Å; P50-Y90 WeakPolarHBondContact CB-OH 3.31Å; P50-Y90 HydrophobicContact CG-CE1 4.1Å; P50-Y90 WeakPolarHBondContact CG-OH 3.49Å; Y90-P92 HydrophobicContact CD2-CB 4.29Å; Y90-P92 HydrophobicContact CD2-CG 4.43Å; Y90-P92 HydrophobicContact CE2-CB 4.17Å; Y90-P92 HydrophobicContact CE2-CG 4.24Å; Y90-P92 WeakPolarHBondContact O-CD 3.12Å
91F97.5Very high97.1Very high31 Ų3140.2 Ų40.214%0.13619%0.187CC..  trans-121.891.3-169-58.4-94.8000108A39 F70 V89 F138 D139 F140 R141A39-F91 HydrophobicContact CB-CD1 3.64Å; A39-F91 HydrophobicContact CB-CE1 3.35Å; A39-F91 HydrophobicContact CB-CZ 4.01Å; F70-F91 HydrophobicContact CE2-CE1 4.44Å; F70-F91 HydrophobicContact CE2-CZ 4.34Å; V89-F91 HydrophobicContact CG1-CE2 4.04Å; V89-F91 HydrophobicContact CG1-CZ 3.97Å; F91-F138 WeakPolarHBondContact CD1-O 3.27Å; F91-F138 WeakPolarHBondContact CG-O 3.01Å; F91-D139 HydrophobicContact CD2-CB 3.87Å; F91-D139 HydrophobicContact CE2-CB 3.53Å; F91-D139 WeakPolarHBondContact CE2-OD1 3.48Å; F91-D139 HydrophobicContact CZ-CB 4.03Å; F91-D139 WeakPolarHBondContact CZ-OD1 3.35Å; F91-F140 HydrophobicContact CD1-CD1 4.04Å; F91-F140 AromaticContact CD1-CE1 3.9Å; F91-F140 HydrophobicContact CD1-CE1 3.9Å; F91-F140 AromaticContact CE1-CD1 3.77Å; F91-F140 HydrophobicContact CE1-CD1 3.77Å; F91-F140 AromaticContact CE1-CE1 3.52Å; F91-F140 HydrophobicContact CE1-CE1 3.52Å; F91-F140 HydrophobicContact CE1-CZ 4.1Å; F91-R141 HydrophobicContact CZ-CG 4.43Å
92P96.9Very high96.9Very high25 Ų2540.1 Ų40.116%0.16219%0.186CC..  trans-79171.9-17032.8-37.4000113.5Y40 Y90 W98 S99 P137Y40-P92 HydrophobicContact CD2-CG 3.65Å; Y40-P92 HydrophobicContact CE2-CG 3.9Å; Y90-P92 HydrophobicContact CD2-CB 4.29Å; Y90-P92 HydrophobicContact CD2-CG 4.43Å; Y90-P92 HydrophobicContact CE2-CB 4.17Å; Y90-P92 HydrophobicContact CE2-CG 4.24Å; Y90-P92 WeakPolarHBondContact O-CD 3.12Å; P92-W98 HydrophobicContact CB-CH2 3.69Å; P92-W98 HydrophobicContact CB-CZ2 3.92Å; P92-W98 HydrophobicContact CG-CH2 3.54Å; P92-W98 HydrophobicContact CG-CZ2 4.26Å; P92-W98 HydrophobicContact CG-CZ3 4.29Å; P92-S99 VanDerWaalsContact O-CB 3.31Å; P92-S99 WeakPolarHBondContact O-CB 3.44Å; P92-S99 PolarHBondContact O-OG 3.3Å; P92-P137 WeakPolarHBondContact O-CG 3.49Å
93G97.1Very high96.6Very high7 Ų736 Ų367%0.07217%0.172CC..  trans78.434.2179.600000114.1G95 E96 P137G93-G95 PolarHBondContact O-N 2.86Å; G93-E96 WeakPolarHBondContact O-CA 3.45Å; G93-E96 WeakPolarHBondContact O-CB 3.43Å; G93-E96 PolarHBondContact O-N 2.53Å; G93-P137 WeakPolarHBondContact O-CG 3.42Å
94W98.5Very high96.3Very high69 Ų6935.3 Ų35.326%0.26117%0.168SC..THydrogen-bonded Turntrans-62.2119.3176.3-179.3-84.9000111.2E96 A136 P137 F150 K153 L154 L157W94-E96 PolarHBondContact O-N 3.2Å; W94-A136 HydrophobicContact CH2-CB 4.09Å; W94-A136 HydrophobicContact CZ3-CB 4.33Å; W94-P137 VanDerWaalsContact CZ3-O 3.25Å; W94-P137 WeakPolarHBondContact CZ3-O 3.37Å; W94-F150 AromaticContact CH2-CD2 3.99Å; W94-F150 HydrophobicContact CH2-CD2 3.99Å; W94-F150 AromaticContact CH2-CE2 3.91Å; W94-F150 HydrophobicContact CH2-CE2 3.91Å; W94-F150 AromaticContact CZ3-CD2 3.99Å; W94-F150 HydrophobicContact CZ3-CD2 3.99Å; W94-F150 AromaticContact CZ3-CE2 3.98Å; W94-F150 HydrophobicContact CZ3-CE2 3.98Å; W94-K153 HydrophobicContact CH2-CB 3.92Å; W94-K153 VanDerWaalsContact CZ2-C 3.46Å; W94-K153 HydrophobicContact CZ2-CB 3.49Å; W94-K153 VanDerWaalsContact CZ2-CB 3.49Å; W94-L154 HydrophobicContact CH2-CB 4.34Å; W94-L154 HydrophobicContact CZ2-CB 4.45Å; W94-L157 HydrophobicContact CZ2-CB 4.24Å; W94-L157 HydrophobicContact CZ2-CD2 3.93Å
95G98.6Very high95.7Very high1 Ų138.3 Ų38.31%0.0119%0.189CC..THydrogen-bonded Turntrans80.5-8.6-172.100000113.7G93 R134 G135G93-G95 PolarHBondContact O-N 2.86Å; G95-R134 VanDerWaalsContact O-CD 3.25Å; G95-R134 WeakPolarHBondContact O-CD 3.32Å; G95-R134 PolarHBondContact O-NE 2.87Å; G95-G135 WeakPolarHBondContact CA-O 3.42Å; G95-G135 PolarHBondContact N-O 3.35Å
96E98.4Very high95.4Very high69 Ų6942 Ų4232%0.32220%0.196SC..  trans-94.1171.3175.7-57.9-168.5-96.600111.5G93 W94 W98 N130 G135G93-E96 WeakPolarHBondContact O-CA 3.45Å; G93-E96 WeakPolarHBondContact O-CB 3.43Å; G93-E96 PolarHBondContact O-N 2.53Å; W94-E96 PolarHBondContact O-N 3.2Å; E96-W98 PolarHBondContact OE1-NE1 3.18Å; E96-W98 PolarHBondContact OE2-NE1 3.39Å; E96-W98 VanDerWaalsContact OE2-NE1 3.13Å; E96-N130 WeakPolarHBondContact CA-OD1 3.24Å; E96-N130 WeakPolarHBondContact CB-OD1 3.44Å; E96-N130 PolarHBondContact OE2-ND2 3.24Å; E96-G135 WeakPolarHBondContact O-CA 3.41Å; E96-G135 PolarHBondContact O-N 2.96Å
97T97.8Very high94.9Very high1 Ų143.6 Ų43.61%0.00620%0.2CC..SBendtrans-107.1-23.4-179.845.50000114.1S99 I100 E101 I118 R122 S129 N130 I133T97-S99 VanDerWaalsContact C-N 3.32Å; T97-S99 PolarHBondContact O-N 3.4Å; T97-I100 CarbonylContact O-C 3.59Å; T97-I100 WeakPolarHBondContact O-CG1 3.37Å; T97-I100 PolarHBondContact O-N 3.05Å; T97-E101 WeakPolarHBondContact O-CG 3.4Å; T97-E101 PolarHBondContact O-N 3.27Å; T97-E101 PolarHBondContact OG1-OE1 3.3Å; T97-I118 HydrophobicContact CG2-CD1 3.76Å; T97-R122 PolarHBondContact OG1-NH2 3.37Å; T97-S129 WeakPolarHBondContact OG1-CB 3.47Å; T97-S129 PolarHBondContact OG1-OG 3.45Å; T97-N130 PolarHBondContact N-OD1 2.83Å; T97-N130 PolarHBondContact OG1-OD1 2.96Å; T97-N130 VanDerWaalsContact OG1-OD1 3.14Å; T97-I133 HydrophobicContact CG2-CB 4.24Å; T97-I133 HydrophobicContact CG2-CG2 3.82Å
98W96.3Very high94.4Very high78 Ų7846.3 Ų46.330%0.29521%0.213SC..Hα-helixtrans-58.9-36.7-171.863.5-98.9000114.5P92 E96 I100 E101P92-W98 HydrophobicContact CB-CH2 3.69Å; P92-W98 HydrophobicContact CB-CZ2 3.92Å; P92-W98 HydrophobicContact CG-CH2 3.54Å; P92-W98 HydrophobicContact CG-CZ2 4.26Å; P92-W98 HydrophobicContact CG-CZ3 4.29Å; E96-W98 PolarHBondContact OE1-NE1 3.18Å; E96-W98 PolarHBondContact OE2-NE1 3.39Å; E96-W98 VanDerWaalsContact OE2-NE1 3.13Å; W98-I100 PolarHBondContact O-N 3.15Å; W98-E101 PolarHBondContact O-N 2.86Å
99S96.3Very high93.7Very high0 Ų045 Ų450%022%0.215CC..Hα-helixtrans-78.9-4.4-179620000114.1C37 Q38 P92 T97C37-S99 CarbonylContact C-O 3.21Å; C37-S99 WeakPolarHBondContact CA-O 3.42Å; C37-S99 WeakPolarHBondContact CB-O 3.37Å; Q38-S99 PolarHBondContact N-O 3.45Å; P92-S99 VanDerWaalsContact O-CB 3.31Å; P92-S99 WeakPolarHBondContact O-CB 3.44Å; P92-S99 PolarHBondContact O-OG 3.3Å; T97-S99 VanDerWaalsContact C-N 3.32Å; T97-S99 PolarHBondContact O-N 3.4Å
100I96.6Very high93Very high0 Ų048.7 Ų48.70%023%0.227CC..Hα-helixtrans-117.2-12.4170.860.1168.7000113I30 P32 C37 T97 W98 Y113 C114 I118 G135I30-I100 HydrophobicContact CB-CD1 3.92Å; I30-I100 HydrophobicContact CD1-CD1 4.48Å; I30-I100 HydrophobicContact CG2-CD1 3.86Å; P32-I100 HydrophobicContact CB-CG2 3.97Å; P32-I100 HydrophobicContact CG-CG2 3.96Å; C37-I100 HydrophobicContact CB-CG2 3.69Å; T97-I100 CarbonylContact O-C 3.59Å; T97-I100 WeakPolarHBondContact O-CG1 3.37Å; T97-I100 PolarHBondContact O-N 3.05Å; W98-I100 PolarHBondContact O-N 3.15Å; I100-Y113 HydrophobicContact CB-CD1 4.45Å; I100-Y113 WeakPolarHBondContact O-CB 3.44Å; I100-Y113 VanDerWaalsContact O-CD1 3.26Å; I100-Y113 WeakPolarHBondContact O-CD1 3.46Å; I100-C114 VanDerWaalsContact CG1-SG 3.56Å; I100-C114 PolarHBondContact O-N 2.93Å; I100-C114 PolarHBondContact O-SG 3.46Å; I100-I118 HydrophobicContact CD1-CD1 4.45Å; I100-G135 VanDerWaalsContact CD1-CA 3.46Å
101E95.8Very high92.5Very high20 Ų2044.9 Ų44.99%0.09321%0.213CC..Hα-helixtrans-65.1-46.2171.7-76.8166.5-155.900111.9T97 W98 K107 Y113 G115 I118 R122T97-E101 WeakPolarHBondContact O-CG 3.4Å; T97-E101 PolarHBondContact O-N 3.27Å; T97-E101 PolarHBondContact OG1-OE1 3.3Å; W98-E101 PolarHBondContact O-N 2.86Å; E101-K107 IonicContact OE2-NZ 2.77Å; E101-K107 PolarHBondContact OE2-NZ 3.47Å; E101-Y113 PolarHBondContact O-N 3.02Å; E101-G115 PolarHBondContact O-N 2.7Å; E101-I118 HydrophobicContact CG-CD1 4.27Å; E101-R122 IonicContact OE1-CZ 3.44Å; E101-R122 IonicContact OE1-NH1 2.65Å; E101-R122 IonicContact OE1-NH2 3.55Å; E101-R122 PolarHBondContact OE1-NH2 2.88Å
102N94Very high92.2Very high6 Ų647 Ų473%0.03222%0.224CC..BIsolated β-bridgetrans-145.2140.8178.7-162.4-70.9000109.1Q38 D104 K107 H108 T111 E112Q38-N102 PolarHBondContact NE2-O 3.06Å; N102-D104 PolarHBondContact OD1-N 3.14Å; N102-D104 PolarHBondContact OD1-O 2.96Å; N102-K107 HydrophobicContact CB-CB 4.25Å; N102-K107 HydrophobicContact CB-CD 4.04Å; N102-K107 HydrophobicContact CB-CG 3.85Å; N102-H108 PolarHBondContact ND2-N 3.24Å; N102-H108 PolarHBondContact ND2-O 3.02Å; N102-T111 CarbonylContact C-O 3.6Å; N102-T111 WeakPolarHBondContact CA-O 3.22Å; N102-T111 VanDerWaalsContact CG-O 3.23Å; N102-T111 WeakPolarHBondContact OD1-CB 3.4Å; N102-T111 PolarHBondContact OD1-O 3Å; N102-T111 PolarHBondContact OD1-OG1 2.97Å; N102-E112 WeakPolarHBondContact ND2-CA 3.13Å; N102-E112 PolarHBondContact ND2-N 2.91Å
103L91.4Very high92Very high21 Ų2146.6 Ų46.611%0.1122%0.219CC..SBendtrans-85.7-9.4-175-54.2178000113.1G35 G36 I55 T111 Y113G35-L103 WeakPolarHBondContact O-CD1 3.36Å; G36-L103 VanDerWaalsContact C-CD2 3.41Å; I55-L103 HydrophobicContact CB-CB 4.28Å; I55-L103 HydrophobicContact CG2-CB 3.43Å; I55-L103 VanDerWaalsContact CG2-CB 3.43Å; I55-L103 PolarHBondContact N-O 2.98Å; L103-T111 PolarHBondContact N-O 3.46Å; L103-Y113 HydrophobicContact CD2-CG 4.32Å
104D90Very high91.8Very high19 Ų1946.3 Ų46.310%0.10222%0.215CC..SBendtrans-107.3142.1168.9-160.8-27000110.9Q38 L52 N102 Y106 T111Q38-D104 PolarHBondContact NE2-O 2.85Å; L52-D104 HydrophobicContact CD2-CB 4.42Å; L52-D104 WeakPolarHBondContact CD2-OD1 3.45Å; N102-D104 PolarHBondContact OD1-N 3.14Å; N102-D104 PolarHBondContact OD1-O 2.96Å; D104-Y106 VanDerWaalsContact C-N 3.29Å; D104-Y106 PolarHBondContact OD1-N 2.88Å; D104-T111 HydrophobicContact CB-CG2 4.27Å
105S85.8Confident91.6Very high74 Ų7443.3 Ų43.352%0.51721%0.206SC..SBendtrans-57-38.3164.161.80000112.9K107S105-K107 PolarHBondContact O-N 3.4Å
106Y87.6Confident91.2Very high181 Ų18145.1 Ų45.171%0.7122%0.218SC*.SBendtrans-91.277.7170.3-172-99.3000109.1D104 H108D104-Y106 VanDerWaalsContact C-N 3.29Å; D104-Y106 PolarHBondContact OD1-N 2.88Å; Y106-H108 PolarHBondContact O-N 3.37Å; Y106-H108 VanDerWaalsContact O-N 3.15Å
107K86.9Confident90.9Very high117 Ų11741.9 Ų41.951%0.50920%0.203SC..  trans-49.7118.9-170.9-61.8-164.6175.8-1760112.6E101 N102 S105E101-K107 IonicContact OE2-NZ 2.77Å; E101-K107 PolarHBondContact OE2-NZ 3.47Å; N102-K107 HydrophobicContact CB-CB 4.25Å; N102-K107 HydrophobicContact CB-CD 4.04Å; N102-K107 HydrophobicContact CB-CG 3.85Å; S105-K107 PolarHBondContact O-N 3.4Å
108H84.6Confident90.8Very high58 Ų5841.8 Ų41.827%0.26920%0.202SC..  trans-142.1160.9169.164.518.8000112.8N102 Y106 R110 T111 E112N102-H108 PolarHBondContact ND2-N 3.24Å; N102-H108 PolarHBondContact ND2-O 3.02Å; Y106-H108 PolarHBondContact O-N 3.37Å; Y106-H108 VanDerWaalsContact O-N 3.15Å; H108-R110 PolarHBondContact O-N 3.14Å; H108-R110 VanDerWaalsContact O-N 3.12Å; H108-T111 VanDerWaalsContact CE1-CG2 3.46Å; H108-T111 WeakPolarHBondContact CE1-CG2 3.18Å; H108-T111 PolarHBondContact CE1-OG1 3.32Å; H108-T111 PolarHBondContact ND1-OG1 3.25Å; H108-T111 PolarHBondContact O-N 2.78Å; H108-T111 PolarHBondContact O-OG1 3.12Å; H108-E112 PolarHBondContact O-N 3.47Å
109S83.9Confident90.6Very high72 Ų7243 Ų4350%0.50321%0.211SC..G310 helixtrans-62.7-21.7-170.556.90000115.1T111S109-T111 PolarHBondContact O-N 2.95Å
110R81.9Confident90.4Very high90 Ų9044.5 Ų44.534%0.3422%0.221SC..G310 helixtrans-73.4-12.8175.6-63.8-177.7-179.6-175.6-2.5114H108 F410H108-R110 PolarHBondContact O-N 3.14Å; H108-R110 VanDerWaalsContact O-N 3.12Å; R110-F410 VanDerWaalsContact NH1-CD2 3.34Å
111T87.6Confident90.2Very high4 Ų444.8 Ų44.83%0.02522%0.223CC..G310 helixtrans-126.811.2-178.752.40000111.5I55 N102 L103 D104 H108 S109I55-T111 HydrophobicContact CG2-CG2 3.41Å; I55-T111 VanDerWaalsContact CG2-CG2 3.41Å; N102-T111 CarbonylContact C-O 3.6Å; N102-T111 WeakPolarHBondContact CA-O 3.22Å; N102-T111 VanDerWaalsContact CG-O 3.23Å; N102-T111 WeakPolarHBondContact OD1-CB 3.4Å; N102-T111 PolarHBondContact OD1-O 3Å; N102-T111 PolarHBondContact OD1-OG1 2.97Å; L103-T111 PolarHBondContact N-O 3.46Å; D104-T111 HydrophobicContact CB-CG2 4.27Å; H108-T111 VanDerWaalsContact CE1-CG2 3.46Å; H108-T111 WeakPolarHBondContact CE1-CG2 3.18Å; H108-T111 PolarHBondContact CE1-OG1 3.32Å; H108-T111 PolarHBondContact ND1-OG1 3.25Å; H108-T111 PolarHBondContact O-N 2.78Å; H108-T111 PolarHBondContact O-OG1 3.12Å; S109-T111 PolarHBondContact O-N 2.95Å
112E90.5Very high90.1Very high76 Ų7648 Ų4836%0.35523%0.234SC..BIsolated β-bridgetrans-65.5138.5171.3-175.1158-110.700110.1N102 H108 P116N102-E112 WeakPolarHBondContact ND2-CA 3.13Å; N102-E112 PolarHBondContact ND2-N 2.91Å; H108-E112 PolarHBondContact O-N 3.47Å; E112-P116 VanDerWaalsContact CG-CD 3.5Å; E112-P116 HydrophobicContact CG-CG 3.83Å
113Y92.9Very high90.1Very high16 Ų1654.2 Ų54.26%0.06327%0.267CS..  trans-128.3-115.2-179.6-173.1-115000109.3P32 G33 G36 I100 E101 L103 G115 H175 I378 I379P32-Y113 HydrophobicContact CB-CE1 3.91Å; G33-Y113 PolarHBondContact N-OH 3.19Å; G36-Y113 WeakPolarHBondContact O-CD1 3.29Å; G36-Y113 WeakPolarHBondContact O-CE1 3.45Å; I100-Y113 HydrophobicContact CB-CD1 4.45Å; I100-Y113 WeakPolarHBondContact O-CB 3.44Å; I100-Y113 VanDerWaalsContact O-CD1 3.26Å; I100-Y113 WeakPolarHBondContact O-CD1 3.46Å; E101-Y113 PolarHBondContact O-N 3.02Å; L103-Y113 HydrophobicContact CD2-CG 4.32Å; Y113-G115 PolarHBondContact O-N 2.72Å; Y113-H175 AromaticContact CE2-ND1 4Å; Y113-H175 AromaticContact CZ-ND1 3.76Å; Y113-H175 PolarHBondContact OH-ND1 2.84Å; Y113-I378 HydrophobicContact CD2-CG2 3.99Å; Y113-I378 HydrophobicContact CE1-CD1 4.08Å; Y113-I378 HydrophobicContact CE2-CG2 3.67Å; Y113-I379 WeakPolarHBondContact O-CG1 3.12Å
114C93.2Very high90.1Very high0 Ų055 Ų550%027%0.271CS..SBendtrans-77.98.1-17775.60000114.5I100 M117 I118 I378I100-C114 VanDerWaalsContact CG1-SG 3.56Å; I100-C114 PolarHBondContact O-N 2.93Å; I100-C114 PolarHBondContact O-SG 3.46Å; C114-M117 HydrophobicContact CB-CE 4.09Å; C114-M117 PolarHBondContact O-N 2.91Å; C114-I118 WeakPolarHBondContact O-CG1 3.35Å; C114-I118 PolarHBondContact O-N 2.94Å; C114-I118 WeakPolarHBondContact SG-CD1 3.35Å; C114-I378 HydrophobicContact CB-CD1 3.57Å; C114-I378 HydrophobicContact CB-CG1 3.62Å
115G93.2Very high90.3Very high7 Ų759.9 Ų59.97%0.07230%0.304CS..Hα-helixtrans-49.5-58.7-179.700000114E101 Y113 M117 I118 E119E101-G115 PolarHBondContact O-N 2.7Å; Y113-G115 PolarHBondContact O-N 2.72Å; G115-M117 VanDerWaalsContact C-N 3.3Å; G115-M117 PolarHBondContact O-N 3.18Å; G115-I118 CarbonylContact O-C 3.55Å; G115-I118 WeakPolarHBondContact O-CA 3.33Å; G115-I118 WeakPolarHBondContact O-CB 3.39Å; G115-I118 PolarHBondContact O-N 3.23Å; G115-E119 PolarHBondContact O-N 2.62Å
116P91.7Very high90.8Very high38 Ų3858.2 Ų58.225%0.24729%0.287CS..Hα-helixtrans-65.2-27.8-177.8-28.439.5000114.8E112 S120 I379E112-P116 VanDerWaalsContact CG-CD 3.5Å; E112-P116 HydrophobicContact CG-CG 3.83Å; P116-S120 WeakPolarHBondContact O-CB 3.2Å; P116-S120 PolarHBondContact O-N 3.29Å; P116-I379 HydrophobicContact CB-CG2 4.42Å; P116-I379 HydrophobicContact CG-CG2 4.11Å
117M91.5Very high91.2Very high1 Ų150 Ų501%0.00526%0.255CS..Hα-helixtrans-68.3-42.3169.6180-168.277.900111.1I30 C114 G115 S120 L121 L173 I378 L381 I383I30-M117 HydrophobicContact CD1-CE 3.52Å; I30-M117 HydrophobicContact CG1-CE 4.16Å; C114-M117 HydrophobicContact CB-CE 4.09Å; C114-M117 PolarHBondContact O-N 2.91Å; G115-M117 VanDerWaalsContact C-N 3.3Å; G115-M117 PolarHBondContact O-N 3.18Å; M117-S120 PolarHBondContact O-N 2.74Å; M117-L121 WeakPolarHBondContact O-CG 3.39Å; M117-L121 PolarHBondContact O-N 3.35Å; M117-L173 HydrophobicContact SD-CD1 4.31Å; M117-I378 WeakPolarHBondContact CB-O 3.47Å; M117-I378 HydrophobicContact CE-CG1 4.4Å; M117-I378 HydrophobicContact SD-CG1 4.23Å; M117-L381 HydrophobicContact CG-CB 4.36Å; M117-L381 WeakPolarHBondContact CG-O 3.3Å; M117-L381 HydrophobicContact SD-CB 4.15Å; M117-L381 HydrophobicContact SD-CD2 3.91Å; M117-I383 HydrophobicContact CG-CG2 4.49Å; M117-I383 HydrophobicContact SD-CG2 4.39Å
118I94.5Very high91.7Very high0 Ų048.1 Ų48.10%025%0.253CS..Hα-helixtrans-66.9-41.8176.5-71.4-178.7000111.3I30 T97 I100 E101 C114 G115 S120 L121 R122 I133I30-I118 HydrophobicContact CD1-CD1 3.92Å; I30-I118 HydrophobicContact CD1-CG1 3.99Å; T97-I118 HydrophobicContact CG2-CD1 3.76Å; I100-I118 HydrophobicContact CD1-CD1 4.45Å; E101-I118 HydrophobicContact CG-CD1 4.27Å; C114-I118 WeakPolarHBondContact O-CG1 3.35Å; C114-I118 PolarHBondContact O-N 2.94Å; C114-I118 WeakPolarHBondContact SG-CD1 3.35Å; G115-I118 CarbonylContact O-C 3.55Å; G115-I118 WeakPolarHBondContact O-CA 3.33Å; G115-I118 WeakPolarHBondContact O-CB 3.39Å; G115-I118 PolarHBondContact O-N 3.23Å; I118-S120 VanDerWaalsContact C-N 3.32Å; I118-S120 PolarHBondContact O-N 3.15Å; I118-L121 WeakPolarHBondContact O-CB 3.22Å; I118-L121 PolarHBondContact O-N 3.23Å; I118-L121 VanDerWaalsContact O-N 3.12Å; I118-R122 HydrophobicContact CG2-CG 4.45Å; I118-R122 VanDerWaalsContact O-CG 3.31Å; I118-R122 WeakPolarHBondContact O-CG 3.23Å; I118-R122 PolarHBondContact O-N 3.02Å; I118-I133 HydrophobicContact CD1-CG2 4.26Å; I118-I133 HydrophobicContact CG1-CG2 4.16Å; I118-I133 HydrophobicContact CG2-CD1 4.04Å
119E93.9Very high92.4Very high104 Ų10446.4 Ų46.449%0.48625%0.248SC..Hα-helixtrans-58.7-43.4170.3-71.7-57.8110.100111.4G115 L121 R122 L123G115-E119 PolarHBondContact O-N 2.62Å; E119-L121 PolarHBondContact O-N 3.29Å; E119-R122 PolarHBondContact O-N 3.37Å; E119-R122 VanDerWaalsContact OE1-CD 3.29Å; E119-R122 WeakPolarHBondContact OE1-CD 3.33Å; E119-R122 IonicContact OE1-CZ 2.73Å; E119-R122 IonicContact OE1-NE 3.35Å; E119-R122 IonicContact OE1-NH1 3.31Å; E119-R122 PolarHBondContact OE1-NH1 2.84Å; E119-L123 PolarHBondContact O-N 3.2Å
120S90.9Very high93.1Very high30 Ų3045.7 Ų45.721%0.2124%0.239CC..Hα-helixtrans-68.1-19.5176.8-168.10000113.9P116 M117 I118 K382P116-S120 WeakPolarHBondContact O-CB 3.2Å; P116-S120 PolarHBondContact O-N 3.29Å; M117-S120 PolarHBondContact O-N 2.74Å; I118-S120 VanDerWaalsContact C-N 3.32Å; I118-S120 PolarHBondContact O-N 3.15Å; S120-K382 WeakPolarHBondContact OG-CE 3.43Å
121L92Very high93.9Very high7 Ų747.9 Ų47.94%0.03725%0.247CC..Hα-helixtrans-80.3-45.4170.4-75.1168.5000111.1I28 M117 I118 E119 L123 D124 F127 I133 I383 V385I28-L121 HydrophobicContact CD1-CD1 4.5Å; I28-L121 HydrophobicContact CG2-CD1 4.17Å; M117-L121 WeakPolarHBondContact O-CG 3.39Å; M117-L121 PolarHBondContact O-N 3.35Å; I118-L121 WeakPolarHBondContact O-CB 3.22Å; I118-L121 PolarHBondContact O-N 3.23Å; I118-L121 VanDerWaalsContact O-N 3.12Å; E119-L121 PolarHBondContact O-N 3.29Å; L121-L123 PolarHBondContact O-N 2.84Å; L121-D124 PolarHBondContact O-N 2.92Å; L121-F127 HydrophobicContact CB-CB 4.04Å; L121-F127 HydrophobicContact CB-CG 4.2Å; L121-F127 HydrophobicContact CD2-CD1 4.11Å; L121-F127 HydrophobicContact CD2-CD2 4.46Å; L121-F127 HydrophobicContact CD2-CE1 4.18Å; L121-F127 HydrophobicContact CD2-CG 4.26Å; L121-F127 HydrophobicContact CD2-CZ 4.38Å; L121-F127 WeakPolarHBondContact O-CB 3.48Å; L121-I133 HydrophobicContact CB-CD1 3.79Å; L121-I133 HydrophobicContact CD1-CD1 4.28Å; L121-I383 HydrophobicContact CD2-CG2 4.29Å; L121-I383 WeakPolarHBondContact CD2-O 3.31Å; L121-V385 HydrophobicContact CD2-CG2 3.65Å
122R95.3Very high94.4Very high86 Ų8647.9 Ų47.933%0.32525%0.247SC..Hα-helixtrans-56.4-12.2179-73.1168175.2173.7-0.1114.3T97 E101 I118 E119 D124 S129 I133T97-R122 PolarHBondContact OG1-NH2 3.37Å; E101-R122 IonicContact OE1-CZ 3.44Å; E101-R122 IonicContact OE1-NH1 2.65Å; E101-R122 IonicContact OE1-NH2 3.55Å; E101-R122 PolarHBondContact OE1-NH2 2.88Å; I118-R122 HydrophobicContact CG2-CG 4.45Å; I118-R122 VanDerWaalsContact O-CG 3.31Å; I118-R122 WeakPolarHBondContact O-CG 3.23Å; I118-R122 PolarHBondContact O-N 3.02Å; E119-R122 PolarHBondContact O-N 3.37Å; E119-R122 VanDerWaalsContact OE1-CD 3.29Å; E119-R122 WeakPolarHBondContact OE1-CD 3.33Å; E119-R122 IonicContact OE1-CZ 2.73Å; E119-R122 IonicContact OE1-NE 3.35Å; E119-R122 IonicContact OE1-NH1 3.31Å; E119-R122 PolarHBondContact OE1-NH1 2.84Å; R122-D124 VanDerWaalsContact C-N 3.32Å; R122-S129 PolarHBondContact NE-OG 2.83Å; R122-S129 VanDerWaalsContact NE-OG 3.14Å; R122-S129 PolarHBondContact NH2-OG 3.43Å; R122-I133 HydrophobicContact CG-CD1 4.09Å
123L93.2Very high94.8Very high138 Ų13844.2 Ų44.272%0.72323%0.23SC*.THydrogen-bonded Turntrans-67.2-24.7172.2-61.9178.6000114.2E119 L121E119-L123 PolarHBondContact O-N 3.2Å; L121-L123 PolarHBondContact O-N 2.84Å
124D91.2Very high95Very high36 Ų3644.3 Ų44.319%0.19323%0.23CC..SBendtrans-101.7121.5172.5172.7-22.1000108.4K25 L121 R122 F126 F127K25-D124 WeakPolarHBondContact CE-OD2 3.32Å; K25-D124 IonicContact NZ-OD2 2.63Å; K25-D124 PolarHBondContact NZ-OD2 2.88Å; L121-D124 PolarHBondContact O-N 2.92Å; R122-D124 VanDerWaalsContact C-N 3.32Å; D124-F126 PolarHBondContact O-N 2.82Å; D124-F126 WeakPolarHBondContact OD1-CB 3.44Å; D124-F126 PolarHBondContact OD1-N 3.08Å; D124-F126 VanDerWaalsContact OD1-N 3.09Å; D124-F127 HydrophobicContact CB-CD2 3.82Å; D124-F127 HydrophobicContact CB-CE2 4.08Å; D124-F127 PolarHBondContact O-N 3.49Å
125P94.6Very high95.3Very high122 Ų12244.3 Ų44.379%0.79223%0.23SC*.THydrogen-bonded Turntrans-56.5-13.1-173.8-28.635.6000116.4F127P125-F127 VanDerWaalsContact C-N 3.32Å
126F95.4Very high95.6Very high40 Ų4044 Ų4418%0.17523%0.227CC..THydrogen-bonded Turntrans-69-27.5171.9176.8-97.3000113.3K25 P27 D124 V128 T132K25-F126 HydrophobicContact CB-CB 4.37Å; K25-F126 HydrophobicContact CB-CD1 3.46Å; K25-F126 VanDerWaalsContact CB-CD1 3.46Å; K25-F126 HydrophobicContact CB-CD2 4.38Å; K25-F126 HydrophobicContact CB-CE1 3.77Å; K25-F126 HydrophobicContact CB-CG 3.79Å; K25-F126 HydrophobicContact CB-CZ 4.36Å; K25-F126 HydrophobicContact CG-CD1 4.39Å; K25-F126 HydrophobicContact CG-CG 4.47Å; K25-F126 WeakPolarHBondContact O-CZ 3.44Å; P27-F126 HydrophobicContact CB-CE1 4.41Å; P27-F126 HydrophobicContact CB-CZ 4.31Å; D124-F126 PolarHBondContact O-N 2.82Å; D124-F126 WeakPolarHBondContact OD1-CB 3.44Å; D124-F126 PolarHBondContact OD1-N 3.08Å; D124-F126 VanDerWaalsContact OD1-N 3.09Å; F126-V128 PolarHBondContact O-N 2.64Å; F126-T132 HydrophobicContact CE2-CG2 4.46Å; F126-T132 HydrophobicContact CZ-CG2 4.22Å; F126-T132 PolarHBondContact O-OG1 3.04Å
127F96.8Very high95.9Very high8 Ų842.3 Ų42.34%0.03522%0.216CC..  trans-96.783.2-173.1-60.3-80.8000112.3K25 Y26 L121 D124 P125 T132 I133 V385K25-F127 HydrophobicContact CB-CZ 4.23Å; K25-F127 HydrophobicContact CD-CE2 4.19Å; K25-F127 HydrophobicContact CD-CZ 4.23Å; Y26-F127 WeakPolarHBondContact O-CE1 3.25Å; L121-F127 HydrophobicContact CB-CB 4.04Å; L121-F127 HydrophobicContact CB-CG 4.2Å; L121-F127 HydrophobicContact CD2-CD1 4.11Å; L121-F127 HydrophobicContact CD2-CD2 4.46Å; L121-F127 HydrophobicContact CD2-CE1 4.18Å; L121-F127 HydrophobicContact CD2-CG 4.26Å; L121-F127 HydrophobicContact CD2-CZ 4.38Å; L121-F127 WeakPolarHBondContact O-CB 3.48Å; D124-F127 HydrophobicContact CB-CD2 3.82Å; D124-F127 HydrophobicContact CB-CE2 4.08Å; D124-F127 PolarHBondContact O-N 3.49Å; P125-F127 VanDerWaalsContact C-N 3.32Å; F127-T132 WeakPolarHBondContact CA-OG1 3.47Å; F127-I133 HydrophobicContact CB-CD1 3.89Å; F127-I133 HydrophobicContact CB-CG1 3.84Å; F127-I133 HydrophobicContact CD1-CG1 4.43Å; F127-V385 HydrophobicContact CE1-CB 3.72Å; F127-V385 HydrophobicContact CE1-CG2 3.56Å; F127-V385 HydrophobicContact CZ-CB 3.71Å; F127-V385 HydrophobicContact CZ-CG2 3.77Å
128V98.1Very high96.2Very high77 Ų7742.6 Ų42.647%0.46722%0.217SC..  trans-96.1125176.7-179.50000109.3F126 W131 T132 I133F126-V128 PolarHBondContact O-N 2.64Å; V128-W131 HydrophobicContact CB-CB 4.1Å; V128-W131 HydrophobicContact CG1-CB 4Å; V128-W131 PolarHBondContact O-N 3.1Å; V128-T132 PolarHBondContact N-OG1 3.47Å; V128-T132 PolarHBondContact O-N 2.8Å; V128-T132 PolarHBondContact O-OG1 3.01Å; V128-I133 PolarHBondContact O-N 3.02Å
129S98.3Very high96.4Very high22 Ų2243.4 Ų43.415%0.15422%0.221CC..BIsolated β-bridgetrans-64.8148.9176.9-93.40000113.4T97 R122 W131T97-S129 WeakPolarHBondContact OG1-CB 3.47Å; T97-S129 PolarHBondContact OG1-OG 3.45Å; R122-S129 PolarHBondContact NE-OG 2.83Å; R122-S129 VanDerWaalsContact NE-OG 3.14Å; R122-S129 PolarHBondContact NH2-OG 3.43Å; S129-W131 PolarHBondContact O-N 3.45Å; S129-W131 VanDerWaalsContact O-N 3.11Å
130N98.3Very high96.6Very high58 Ų5838.7 Ų38.731%0.3120%0.199SC..THydrogen-bonded Turntrans62.66.1-172.6-53.73.7000113.2E96 T97 I133 R134E96-N130 WeakPolarHBondContact CA-OD1 3.24Å; E96-N130 WeakPolarHBondContact CB-OD1 3.44Å; E96-N130 PolarHBondContact OE2-ND2 3.24Å; T97-N130 PolarHBondContact N-OD1 2.83Å; T97-N130 PolarHBondContact OG1-OD1 2.96Å; T97-N130 VanDerWaalsContact OG1-OD1 3.14Å; N130-I133 PolarHBondContact N-O 3.03Å; N130-R134 WeakPolarHBondContact O-CD 3.5Å; N130-R134 PolarHBondContact O-NE 2.84Å
131W98.4Very high96.9Very high135 Ų13537.3 Ų37.351%0.51119%0.189SC..THydrogen-bonded Turntrans-127.1-68.1-177.9-165.1-106000112.3V128 S129 N164V128-W131 HydrophobicContact CB-CB 4.1Å; V128-W131 HydrophobicContact CG1-CB 4Å; V128-W131 PolarHBondContact O-N 3.1Å; S129-W131 PolarHBondContact O-N 3.45Å; S129-W131 VanDerWaalsContact O-N 3.11Å; W131-N164 HydrophobicContact CD2-CB 4Å; W131-N164 HydrophobicContact CG-CB 4.11Å; W131-N164 HydrophobicContact CZ2-CB 4.24Å; W131-N164 WeakPolarHBondContact CZ2-OD1 3.29Å; W131-N164 PolarHBondContact NE1-O 3.36Å; W131-N164 VanDerWaalsContact O-CB 3.24Å; W131-N164 WeakPolarHBondContact O-CB 3.05Å; W131-N164 PolarHBondContact O-ND2 2.8Å; W131-N164 VanDerWaalsContact O-ND2 3.13Å
132T98.1Very high97.2Very high4 Ų438.7 Ų38.73%0.02520%0.195CC..THydrogen-bonded Turntrans-110.1-15.2174.848.60000113.8P27 I28 F126 F127 V128P27-T132 CarbonylContact C-O 3.29Å; P27-T132 WeakPolarHBondContact CA-O 3.34Å; P27-T132 HydrophobicContact CB-CG2 4.09Å; P27-T132 WeakPolarHBondContact CB-O 3.37Å; I28-T132 PolarHBondContact N-O 2.89Å; F126-T132 HydrophobicContact CE2-CG2 4.46Å; F126-T132 HydrophobicContact CZ-CG2 4.22Å; F126-T132 PolarHBondContact O-OG1 3.04Å; F127-T132 WeakPolarHBondContact CA-OG1 3.47Å; V128-T132 PolarHBondContact N-OG1 3.47Å; V128-T132 PolarHBondContact O-N 2.8Å; V128-T132 PolarHBondContact O-OG1 3.01Å
133I98.5Very high97.3Very high0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-104.6120.4157.9-41.2173.7000107.6I28 I30 T97 I118 L121 R122 F127 V128 N130I28-I133 HydrophobicContact CG2-CB 4.2Å; I28-I133 HydrophobicContact CG2-CG1 4.28Å; I28-I133 HydrophobicContact CG2-CG2 3.86Å; I30-I133 HydrophobicContact CD1-CG2 3.91Å; T97-I133 HydrophobicContact CG2-CB 4.24Å; T97-I133 HydrophobicContact CG2-CG2 3.82Å; I118-I133 HydrophobicContact CD1-CG2 4.26Å; I118-I133 HydrophobicContact CG1-CG2 4.16Å; I118-I133 HydrophobicContact CG2-CD1 4.04Å; L121-I133 HydrophobicContact CB-CD1 3.79Å; L121-I133 HydrophobicContact CD1-CD1 4.28Å; R122-I133 HydrophobicContact CG-CD1 4.09Å; F127-I133 HydrophobicContact CB-CD1 3.89Å; F127-I133 HydrophobicContact CB-CG1 3.84Å; F127-I133 HydrophobicContact CD1-CG1 4.43Å; V128-I133 PolarHBondContact O-N 3.02Å; N130-I133 PolarHBondContact N-O 3.03Å
134R98.7Very high97.5Very high18 Ų1828.1 Ų28.17%0.06815%0.146CC..EExtended strand (participates in β ladder)trans-127.1141.9177.7-48.7-62.8-78.6-83.44.4111.6I28 V29 I30 G95 N130 L157 E160 T161 N164I28-R134 PolarHBondContact O-N 2.93Å; V29-R134 CarbonylContact C-O 3.28Å; V29-R134 WeakPolarHBondContact CA-O 3.35Å; V29-R134 HydrophobicContact CG2-CB 4.21Å; I30-R134 PolarHBondContact N-O 2.89Å; G95-R134 VanDerWaalsContact O-CD 3.25Å; G95-R134 WeakPolarHBondContact O-CD 3.32Å; G95-R134 PolarHBondContact O-NE 2.87Å; N130-R134 WeakPolarHBondContact O-CD 3.5Å; N130-R134 PolarHBondContact O-NE 2.84Å; R134-L157 HydrophobicContact CB-CD1 4.09Å; R134-L157 HydrophobicContact CB-CD2 4.44Å; R134-L157 HydrophobicContact CB-CG 4.45Å; R134-L157 HydrophobicContact CG-CD1 4.15Å; R134-E160 IonicContact CZ-OE1 2.66Å; R134-E160 IonicContact CZ-OE2 3.54Å; R134-E160 IonicContact NH1-OE1 2.67Å; R134-E160 PolarHBondContact NH1-OE1 2.98Å; R134-E160 IonicContact NH1-OE2 3.5Å; R134-E160 PolarHBondContact NH1-OE2 2.96Å; R134-E160 IonicContact NH2-OE1 3.39Å; R134-E160 PolarHBondContact NH2-OE1 3.2Å; R134-E160 IonicContact NH2-OE2 2.64Å; R134-E160 PolarHBondContact NH2-OE2 2.85Å; R134-T161 HydrophobicContact CG-CG2 4.17Å; R134-T161 VanDerWaalsContact CG-OG1 3.27Å; R134-T161 WeakPolarHBondContact CG-OG1 3.49Å; R134-N164 PolarHBondContact NH1-ND2 3.17Å
135G98.7Very high97.7Very high0 Ų028.6 Ų28.60%015%0.148CC..EExtended strand (participates in β ladder)trans-95.5149.8167.200000112.3G95 E96 I100 P137G95-G135 WeakPolarHBondContact CA-O 3.42Å; G95-G135 PolarHBondContact N-O 3.35Å; E96-G135 WeakPolarHBondContact O-CA 3.41Å; E96-G135 PolarHBondContact O-N 2.96Å; I100-G135 VanDerWaalsContact CD1-CA 3.46Å; G135-P137 WeakPolarHBondContact O-CD 3.36Å
136A98.8Very high97.8Very high0 Ų023.5 Ų23.50%011%0.114CC..  trans-119.863.4173.300000111.1V29 I30 I31 P32 W94 F138 L154 L157V29-A136 HydrophobicContact CG1-CB 4.27Å; I30-A136 PolarHBondContact O-N 3.17Å; I31-A136 HydrophobicContact CG1-CB 4.3Å; P32-A136 WeakPolarHBondContact CD-O 3.39Å; W94-A136 HydrophobicContact CH2-CB 4.09Å; W94-A136 HydrophobicContact CZ3-CB 4.33Å; A136-F138 WeakPolarHBondContact O-CD1 3.35Å; A136-L154 HydrophobicContact CB-CD1 4.07Å; A136-L157 HydrophobicContact CB-CD2 4.1Å
137P98.1Very high97.9Very high2 Ų222.6 Ų22.61%0.01311%0.111CC..  trans-61.8142.2176.228.3-35.9000111.5C37 P92 G93 W94 G135C37-P137 HydrophobicContact CB-CB 3.68Å; C37-P137 VanDerWaalsContact SG-CB 3.59Å; P92-P137 WeakPolarHBondContact O-CG 3.49Å; G93-P137 WeakPolarHBondContact O-CG 3.42Å; W94-P137 VanDerWaalsContact CZ3-O 3.25Å; W94-P137 WeakPolarHBondContact CZ3-O 3.37Å; G135-P137 WeakPolarHBondContact O-CD 3.36Å
138F98.3Very high97.7Very high7 Ų728.7 Ų28.73%0.03114%0.14CC..  trans-147.5172.9-173.365.4-82.4000111.1I31 P32 F91 A136 F140 F150 L177 Y181I31-F138 HydrophobicContact CG2-CD1 4.11Å; I31-F138 HydrophobicContact CG2-CE1 3.74Å; P32-F138 HydrophobicContact CG-CD1 4.13Å; P32-F138 HydrophobicContact CG-CE1 3.91Å; P32-F138 WeakPolarHBondContact O-CE1 3.33Å; F91-F138 WeakPolarHBondContact CD1-O 3.27Å; F91-F138 WeakPolarHBondContact CG-O 3.01Å; A136-F138 WeakPolarHBondContact O-CD1 3.35Å; F138-F140 VanDerWaalsContact C-N 3.29Å; F138-F140 HydrophobicContact CD2-CB 4.32Å; F138-F140 HydrophobicContact CE2-CB 3.81Å; F138-F140 HydrophobicContact CZ-CB 4.08Å; F138-F140 PolarHBondContact O-N 2.94Å; F138-F150 HydrophobicContact CB-CD2 3.74Å; F138-F150 HydrophobicContact CB-CE2 3.73Å; F138-F150 HydrophobicContact CD1-CE2 4.19Å; F138-F150 HydrophobicContact CG-CD2 4.41Å; F138-F150 HydrophobicContact CG-CE2 4.08Å; F138-L177 HydrophobicContact CE2-CD2 4.1Å; F138-L177 HydrophobicContact CZ-CD2 4.13Å; F138-L177 HydrophobicContact CZ-CG 4.26Å; F138-Y181 AromaticContact CD2-CD1 3.98Å; F138-Y181 HydrophobicContact CD2-CD1 3.98Å; F138-Y181 AromaticContact CD2-CE1 3.46Å; F138-Y181 HydrophobicContact CD2-CE1 3.46Å; F138-Y181 VanDerWaalsContact CD2-CE1 3.46Å; F138-Y181 HydrophobicContact CD2-CE2 4.2Å; F138-Y181 AromaticContact CD2-CZ 3.59Å; F138-Y181 AromaticContact CE2-CD1 3.95Å; F138-Y181 HydrophobicContact CE2-CD1 3.95Å; F138-Y181 AromaticContact CE2-CD2 3.83Å; F138-Y181 HydrophobicContact CE2-CD2 3.83Å; F138-Y181 AromaticContact CE2-CE1 3.58Å; F138-Y181 HydrophobicContact CE2-CE1 3.58Å; F138-Y181 AromaticContact CE2-CE2 3.45Å; F138-Y181 HydrophobicContact CE2-CE2 3.45Å; F138-Y181 VanDerWaalsContact CE2-CE2 3.45Å; F138-Y181 HydrophobicContact CE2-CG 4.07Å; F138-Y181 AromaticContact CE2-CZ 3.31Å; F138-Y181 HydrophobicContact CG-CD1 4.4Å; F138-Y181 HydrophobicContact CG-CE1 4.2Å; F138-Y181 HydrophobicContact CZ-CD1 4.34Å; F138-Y181 AromaticContact CZ-CD2 3.96Å; F138-Y181 HydrophobicContact CZ-CD2 3.96Å; F138-Y181 HydrophobicContact CZ-CE1 4.4Å; F138-Y181 HydrophobicContact CZ-CE2 4.03Å; F138-Y181 HydrophobicContact CZ-CG 4.13Å
139D98.3Very high97.5Very high18 Ų1826.9 Ų26.910%0.09614%0.136CC..  trans-7585.2174.8-171.5-5.8000109.9F91 R141 K142 N147F91-D139 HydrophobicContact CD2-CB 3.87Å; F91-D139 HydrophobicContact CE2-CB 3.53Å; F91-D139 WeakPolarHBondContact CE2-OD1 3.48Å; F91-D139 HydrophobicContact CZ-CB 4.03Å; F91-D139 WeakPolarHBondContact CZ-OD1 3.35Å; D139-R141 PolarHBondContact O-N 2.76Å; D139-R141 WeakPolarHBondContact OD1-CB 3.31Å; D139-R141 WeakPolarHBondContact OD1-CG 3.24Å; D139-R141 IonicContact OD1-CZ 2.77Å; D139-R141 PolarHBondContact OD1-N 2.88Å; D139-R141 IonicContact OD1-NE 2.72Å; D139-R141 PolarHBondContact OD1-NE 2.93Å; D139-R141 IonicContact OD1-NH2 3.38Å; D139-R141 IonicContact OD2-CZ 2.84Å; D139-R141 IonicContact OD2-NE 2.73Å; D139-R141 IonicContact OD2-NH2 3.22Å; D139-R141 PolarHBondContact OD2-NH2 3.06Å; D139-K142 HydrophobicContact CB-CD 4.37Å; D139-K142 PolarHBondContact O-N 3.46Å; D139-K142 VanDerWaalsContact O-N 3.13Å; D139-K142 VanDerWaalsContact OD2-CD 3.25Å; D139-K142 WeakPolarHBondContact OD2-CD 3.5Å; D139-K142 WeakPolarHBondContact OD2-CE 3.36Å; D139-N147 PolarHBondContact N-OD1 3.29Å; D139-N147 PolarHBondContact O-ND2 3.41Å
140F97.8Very high97.5Very high4 Ų426.3 Ų26.32%0.01813%0.131CC..THydrogen-bonded Turntrans-69.7-8.5-178.762.5-103.3000113.8D34 G35 C37 A39 W54 F70 F91 F138 K142 L177 S243D34-F140 WeakPolarHBondContact OD1-CD2 3.42Å; G35-F140 VanDerWaalsContact CA-CE2 3.5Å; C37-F140 WeakPolarHBondContact O-CE1 3.46Å; A39-F140 HydrophobicContact CB-CE1 4.45Å; W54-F140 HydrophobicContact CB-CZ 4.24Å; W54-F140 AromaticContact CD1-CZ 3.45Å; W54-F140 VanDerWaalsContact CD1-CZ 3.45Å; W54-F140 HydrophobicContact CD2-CZ 4.26Å; W54-F140 HydrophobicContact CG-CE2 4.49Å; W54-F140 AromaticContact CG-CZ 3.72Å; W54-F140 HydrophobicContact CG-CZ 3.72Å; W54-F140 AromaticContact NE1-CZ 3.83Å; F70-F140 HydrophobicContact CE1-CE2 4.35Å; F70-F140 HydrophobicContact CE2-CZ 4.31Å; F70-F140 AromaticContact CZ-CE2 3.63Å; F70-F140 HydrophobicContact CZ-CE2 3.63Å; F70-F140 AromaticContact CZ-CZ 3.7Å; F70-F140 HydrophobicContact CZ-CZ 3.7Å; F91-F140 HydrophobicContact CD1-CD1 4.04Å; F91-F140 AromaticContact CD1-CE1 3.9Å; F91-F140 HydrophobicContact CD1-CE1 3.9Å; F91-F140 AromaticContact CE1-CD1 3.77Å; F91-F140 HydrophobicContact CE1-CD1 3.77Å; F91-F140 AromaticContact CE1-CE1 3.52Å; F91-F140 HydrophobicContact CE1-CE1 3.52Å; F91-F140 HydrophobicContact CE1-CZ 4.1Å; F138-F140 VanDerWaalsContact C-N 3.29Å; F138-F140 HydrophobicContact CD2-CB 4.32Å; F138-F140 HydrophobicContact CE2-CB 3.81Å; F138-F140 HydrophobicContact CZ-CB 4.08Å; F138-F140 PolarHBondContact O-N 2.94Å; F140-K142 VanDerWaalsContact C-N 3.26Å; F140-L177 HydrophobicContact CB-CD2 4.23Å; F140-S243 WeakPolarHBondContact O-CB 3.22Å; F140-S243 PolarHBondContact O-OG 2.95Å
141R97.9Very high97.5Very high2 Ų224.5 Ų24.51%0.00812%0.121CC..THydrogen-bonded Turntrans-66.8-33.9169-56175.6-65.7175.8-0.1111.1F70 L72 D83 F91 D139 L241 P242 S243F70-R141 HydrophobicContact CD1-CG 4.48Å; F70-R141 HydrophobicContact CE1-CG 3.7Å; F70-R141 HydrophobicContact CE2-CG 3.94Å; F70-R141 HydrophobicContact CZ-CG 3.38Å; F70-R141 VanDerWaalsContact O-CD 3.22Å; F70-R141 WeakPolarHBondContact O-CD 3.31Å; F70-R141 PolarHBondContact O-NH1 2.86Å; L72-R141 HydrophobicContact CD1-CB 3.65Å; L72-R141 HydrophobicContact CG-CB 4.3Å; D83-R141 IonicContact OD1-CZ 3.31Å; D83-R141 VanDerWaalsContact OD1-CZ 3.23Å; D83-R141 IonicContact OD1-NH1 2.67Å; D83-R141 PolarHBondContact OD1-NH1 3.11Å; D83-R141 IonicContact OD1-NH2 3.74Å; D83-R141 PolarHBondContact OD1-NH2 3.16Å; F91-R141 HydrophobicContact CZ-CG 4.43Å; D139-R141 PolarHBondContact O-N 2.76Å; D139-R141 WeakPolarHBondContact OD1-CB 3.31Å; D139-R141 WeakPolarHBondContact OD1-CG 3.24Å; D139-R141 IonicContact OD1-CZ 2.77Å; D139-R141 PolarHBondContact OD1-N 2.88Å; D139-R141 IonicContact OD1-NE 2.72Å; D139-R141 PolarHBondContact OD1-NE 2.93Å; D139-R141 IonicContact OD1-NH2 3.38Å; D139-R141 IonicContact OD2-CZ 2.84Å; D139-R141 IonicContact OD2-NE 2.73Å; D139-R141 IonicContact OD2-NH2 3.22Å; D139-R141 PolarHBondContact OD2-NH2 3.06Å; R141-L241 HydrophobicContact CB-CB 4.34Å; R141-L241 HydrophobicContact CB-CD2 3.77Å; R141-L241 HydrophobicContact CB-CG 4.4Å; R141-L241 HydrophobicContact CG-CD1 4.5Å; R141-L241 HydrophobicContact CG-CD2 3.91Å; R141-L241 CarbonylContact O-C 3.56Å; R141-L241 WeakPolarHBondContact O-CA 3.46Å; R141-L241 WeakPolarHBondContact O-CB 3.41Å; R141-P242 WeakPolarHBondContact O-CD 3.45Å; R141-S243 PolarHBondContact O-N 3.04Å; R141-S243 PolarHBondContact O-OG 2.84Å
142K98Very high97.5Very high35 Ų3522 Ų2215%0.15212%0.118CC..SBendtrans-91.8160.7-174-71.2-178.7175.9-163.50111.4L72 S81 D139 F140 E146 N147 Y181 S243L72-K142 HydrophobicContact CD1-CG 3.77Å; S81-K142 WeakPolarHBondContact O-CE 3.4Å; S81-K142 PolarHBondContact O-NZ 3.02Å; D139-K142 HydrophobicContact CB-CD 4.37Å; D139-K142 PolarHBondContact O-N 3.46Å; D139-K142 VanDerWaalsContact O-N 3.13Å; D139-K142 VanDerWaalsContact OD2-CD 3.25Å; D139-K142 WeakPolarHBondContact OD2-CD 3.5Å; D139-K142 WeakPolarHBondContact OD2-CE 3.36Å; F140-K142 VanDerWaalsContact C-N 3.26Å; K142-E146 HydrophobicContact CB-CB 4.12Å; K142-E146 HydrophobicContact CD-CB 3.91Å; K142-E146 HydrophobicContact CG-CB 4.26Å; K142-N147 VanDerWaalsContact CB-ND2 3.32Å; K142-N147 WeakPolarHBondContact CB-ND2 3.32Å; K142-Y181 PolarHBondContact O-OH 2.88Å; K142-S243 WeakPolarHBondContact O-CB 3.31Å
143A97.4Very high97.5Very high0 Ų026.1 Ų26.10%014%0.136CC..  trans-85.8166.216700000111.1N145 E146 N147 Y181 P242 F246 S292A143-N145 WeakPolarHBondContact CB-OD1 3.43Å; A143-N145 PolarHBondContact O-N 2.8Å; A143-N145 VanDerWaalsContact O-N 3.14Å; A143-E146 PolarHBondContact O-N 3.3Å; A143-N147 PolarHBondContact O-N 2.88Å; A143-N147 PolarHBondContact O-ND2 3.25Å; A143-Y181 PolarHBondContact O-OH 3.04Å; A143-P242 HydrophobicContact CB-CB 4.24Å; A143-F246 HydrophobicContact CB-CB 4.11Å; A143-F246 HydrophobicContact CB-CG 4.33Å; A143-S292 VanDerWaalsContact CB-CB 3.44Å
144P97.6Very high97.6Very high3 Ų326.1 Ų26.12%0.01914%0.136CC..G310 helixtrans-57.9-28.3-176.3-23.527.9000115.1E146 N147 Y181 Y184 F246 I295P144-E146 PolarHBondContact O-N 2.86Å; P144-N147 PolarHBondContact O-N 2.65Å; P144-Y181 HydrophobicContact CB-CE1 4.25Å; P144-Y181 HydrophobicContact CB-CE2 4.45Å; P144-Y181 HydrophobicContact CG-CD1 4.45Å; P144-Y181 HydrophobicContact CG-CD2 3.86Å; P144-Y181 HydrophobicContact CG-CE1 4.21Å; P144-Y181 HydrophobicContact CG-CE2 3.57Å; P144-Y181 HydrophobicContact CG-CG 4.29Å; P144-Y184 HydrophobicContact CB-CD1 3.47Å; P144-Y184 VanDerWaalsContact CB-CD1 3.47Å; P144-Y184 HydrophobicContact CB-CD2 4.32Å; P144-Y184 HydrophobicContact CB-CE1 3.71Å; P144-Y184 HydrophobicContact CB-CG 3.78Å; P144-Y184 HydrophobicContact CG-CG 4.49Å; P144-F246 HydrophobicContact CG-CE1 3.86Å; P144-F246 HydrophobicContact CG-CZ 3.91Å; P144-I295 HydrophobicContact CB-CD1 3.75Å; P144-I295 HydrophobicContact CG-CD1 3.91Å
145N95.5Very high97.6Very high45 Ų4527.4 Ų27.424%0.24114%0.143CC..G310 helixtrans-67.3-17.3176.453.6-62.2000114.5A143 I295A143-N145 WeakPolarHBondContact CB-OD1 3.43Å; A143-N145 PolarHBondContact O-N 2.8Å; A143-N145 VanDerWaalsContact O-N 3.14Å; N145-I295 HydrophobicContact CB-CD1 3.95Å; N145-I295 HydrophobicContact CB-CG2 4.19Å; N145-I295 WeakPolarHBondContact OD1-CD1 3.4Å
146E97Very high97.6Very high15 Ų1533.6 Ų33.67%0.0717%0.166CC..G310 helixtrans-114-3179.7-62.3168.587.400112.9S81 K142 A143 P144 E148 P242S81-E146 WeakPolarHBondContact CA-OE1 3.49Å; S81-E146 WeakPolarHBondContact CB-OE1 3.45Å; S81-E146 PolarHBondContact N-OE1 2.95Å; S81-E146 PolarHBondContact OG-OE1 3.41Å; K142-E146 HydrophobicContact CB-CB 4.12Å; K142-E146 HydrophobicContact CD-CB 3.91Å; K142-E146 HydrophobicContact CG-CB 4.26Å; A143-E146 PolarHBondContact O-N 3.3Å; P144-E146 PolarHBondContact O-N 2.86Å; E146-E148 PolarHBondContact O-N 2.87Å; E146-P242 VanDerWaalsContact OE2-CB 3.28Å; E146-P242 WeakPolarHBondContact OE2-CB 3.26Å; E146-P242 VanDerWaalsContact OE2-CG 3.28Å; E146-P242 WeakPolarHBondContact OE2-CG 3.41Å
147N96.4Very high97.6Very high21 Ų2133.8 Ų33.811%0.11217%0.167CC..SBendtrans-85.962.9169.3-91.8-94.9000109.8D139 K142 A143 P144 G149 F150 Y181D139-N147 PolarHBondContact N-OD1 3.29Å; D139-N147 PolarHBondContact O-ND2 3.41Å; K142-N147 VanDerWaalsContact CB-ND2 3.32Å; K142-N147 WeakPolarHBondContact CB-ND2 3.32Å; A143-N147 PolarHBondContact O-N 2.88Å; A143-N147 PolarHBondContact O-ND2 3.25Å; P144-N147 PolarHBondContact O-N 2.65Å; N147-G149 PolarHBondContact O-N 2.81Å; N147-F150 HydrophobicContact CB-CB 3.96Å; N147-F150 VanDerWaalsContact O-CB 3.23Å; N147-F150 WeakPolarHBondContact O-CB 3.47Å; N147-F150 PolarHBondContact O-N 3.48Å; N147-Y181 HydrophobicContact CB-CE1 4.02Å; N147-Y181 PolarHBondContact ND2-OH 2.73Å
148E92.8Very high97.6Very high137 Ų13733.7 Ų33.764%0.6417%0.167SC*.THydrogen-bonded Turntrans-54.7133.2-178.3-66-175.5-177.500111.7K80 E146 F150K80-E148 IonicContact NZ-OE1 3.66Å; K80-E148 PolarHBondContact NZ-OE1 2.83Å; E146-E148 PolarHBondContact O-N 2.87Å; E148-F150 PolarHBondContact O-N 3.07Å
149G95.6Very high97.6Very high38 Ų3835.6 Ų35.639%0.39218%0.175SC..THydrogen-bonded Turntrans73-0.7-177.200000116.1N147 N151 D152 K153N147-G149 PolarHBondContact O-N 2.81Å; G149-N151 PolarHBondContact O-N 2.9Å; G149-D152 PolarHBondContact O-N 3.43Å; G149-K153 WeakPolarHBondContact O-CG 3.4Å; G149-K153 PolarHBondContact O-N 2.8Å
150F98.2Very high97.7Very high10 Ų1038.3 Ų38.34%0.04419%0.188CC..Hα-helixtrans-57.5-47.9176.5172.9-91.6000112I31 W94 F138 N147 E148 D152 K153 L154 Y181I31-F150 HydrophobicContact CD1-CZ 4.46Å; I31-F150 HydrophobicContact CG2-CZ 4.21Å; W94-F150 AromaticContact CH2-CD2 3.99Å; W94-F150 HydrophobicContact CH2-CD2 3.99Å; W94-F150 AromaticContact CH2-CE2 3.91Å; W94-F150 HydrophobicContact CH2-CE2 3.91Å; W94-F150 AromaticContact CZ3-CD2 3.99Å; W94-F150 HydrophobicContact CZ3-CD2 3.99Å; W94-F150 AromaticContact CZ3-CE2 3.98Å; W94-F150 HydrophobicContact CZ3-CE2 3.98Å; F138-F150 HydrophobicContact CB-CD2 3.74Å; F138-F150 HydrophobicContact CB-CE2 3.73Å; F138-F150 HydrophobicContact CD1-CE2 4.19Å; F138-F150 HydrophobicContact CG-CD2 4.41Å; F138-F150 HydrophobicContact CG-CE2 4.08Å; N147-F150 HydrophobicContact CB-CB 3.96Å; N147-F150 VanDerWaalsContact O-CB 3.23Å; N147-F150 WeakPolarHBondContact O-CB 3.47Å; N147-F150 PolarHBondContact O-N 3.48Å; E148-F150 PolarHBondContact O-N 3.07Å; F150-D152 VanDerWaalsContact C-N 3.33Å; F150-D152 PolarHBondContact O-N 2.87Å; F150-K153 PolarHBondContact O-N 3.23Å; F150-L154 HydrophobicContact CE1-CB 4.35Å; F150-L154 HydrophobicContact CE1-CD2 3.57Å; F150-L154 HydrophobicContact CZ-CB 4.48Å; F150-L154 HydrophobicContact CZ-CD2 3.72Å; F150-L154 VanDerWaalsContact O-CB 3.3Å; F150-L154 WeakPolarHBondContact O-CB 3.17Å; F150-L154 PolarHBondContact O-N 2.86Å; F150-Y181 AromaticContact CD1-CD1 3.87Å; F150-Y181 HydrophobicContact CD1-CD1 3.87Å; F150-Y181 HydrophobicContact CD1-CE1 4.44Å; F150-Y181 HydrophobicContact CD2-CD1 4.43Å; F150-Y181 AromaticContact CE1-CD1 3.65Å; F150-Y181 HydrophobicContact CE1-CD1 3.65Å; F150-Y181 HydrophobicContact CE1-CG 4.44Å; F150-Y181 HydrophobicContact CE2-CD1 4.22Å; F150-Y181 HydrophobicContact CG-CD1 4.28Å; F150-Y181 HydrophobicContact CG-CE1 4.49Å; F150-Y181 AromaticContact CZ-CD1 3.83Å; F150-Y181 HydrophobicContact CZ-CD1 3.83Å
151N98.1Very high97.7Very high20 Ų2038.1 Ų38.111%0.10719%0.187CC..Hα-helixtrans-60.8-42.1179.8-711.6000111.6G149 L154 M155 Y184 F185 S188G149-N151 PolarHBondContact O-N 2.9Å; N151-L154 PolarHBondContact O-N 2.89Å; N151-M155 WeakPolarHBondContact O-CB 3.3Å; N151-M155 PolarHBondContact O-N 2.93Å; N151-Y184 VanDerWaalsContact ND2-CE1 3.29Å; N151-Y184 WeakPolarHBondContact ND2-CE1 3.43Å; N151-Y184 WeakPolarHBondContact OD1-CD1 3.41Å; N151-F185 HydrophobicContact CB-CD2 3.96Å; N151-F185 WeakPolarHBondContact O-CE2 3.01Å; N151-S188 PolarHBondContact ND2-OG 3.26Å
152D98.4Very high97.7Very high82 Ų8240.3 Ų40.344%0.43920%0.195SC..Hα-helixtrans-67.7-38.5178.6-68.8-16000112.7G149 F150 R156G149-D152 PolarHBondContact O-N 3.43Å; F150-D152 VanDerWaalsContact C-N 3.33Å; F150-D152 PolarHBondContact O-N 2.87Å; D152-R156 PolarHBondContact O-N 2.8Å; D152-R156 PolarHBondContact O-NE 3.44Å; D152-R156 PolarHBondContact O-NH1 2.78Å; D152-R156 PolarHBondContact O-NH2 2.94Å
153K98.4Very high97.8Very high92 Ų9244.3 Ų44.340%0.422%0.215SC..Hα-helixtrans-67.7-40.6174.3-72.4179.467.2-169.10111.3W94 G149 F150 L157W94-K153 HydrophobicContact CH2-CB 3.92Å; W94-K153 VanDerWaalsContact CZ2-C 3.46Å; W94-K153 HydrophobicContact CZ2-CB 3.49Å; W94-K153 VanDerWaalsContact CZ2-CB 3.49Å; G149-K153 WeakPolarHBondContact O-CG 3.4Å; G149-K153 PolarHBondContact O-N 2.8Å; F150-K153 PolarHBondContact O-N 3.23Å; K153-L157 WeakPolarHBondContact O-CB 3.42Å; K153-L157 PolarHBondContact O-N 3.27Å
154L98.9Very high97.8Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-69.4-38.8178.9-178.757.3000111.7V29 I31 W94 A136 F150 N151 L157 I158 L172 F185V29-L154 HydrophobicContact CG1-CD1 3.81Å; I31-L154 HydrophobicContact CD1-CD2 3.8Å; I31-L154 HydrophobicContact CG1-CD2 4.49Å; W94-L154 HydrophobicContact CH2-CB 4.34Å; W94-L154 HydrophobicContact CZ2-CB 4.45Å; A136-L154 HydrophobicContact CB-CD1 4.07Å; F150-L154 HydrophobicContact CE1-CB 4.35Å; F150-L154 HydrophobicContact CE1-CD2 3.57Å; F150-L154 HydrophobicContact CZ-CB 4.48Å; F150-L154 HydrophobicContact CZ-CD2 3.72Å; F150-L154 VanDerWaalsContact O-CB 3.3Å; F150-L154 WeakPolarHBondContact O-CB 3.17Å; F150-L154 PolarHBondContact O-N 2.86Å; N151-L154 PolarHBondContact O-N 2.89Å; L154-L157 HydrophobicContact CD1-CD2 4.47Å; L154-L157 PolarHBondContact O-N 2.6Å; L154-I158 HydrophobicContact CD1-CD1 3.8Å; L154-I158 HydrophobicContact CD1-CG1 4.13Å; L154-I158 HydrophobicContact CG-CD1 3.82Å; L154-I158 WeakPolarHBondContact O-CB 2.97Å; L154-I158 WeakPolarHBondContact O-CD1 3.5Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.25Å; L154-I158 PolarHBondContact O-N 3.22Å; L154-L172 HydrophobicContact CD1-CD1 4.39Å; L154-F185 HydrophobicContact CB-CD2 4.21Å; L154-F185 HydrophobicContact CB-CE2 4.16Å; L154-F185 HydrophobicContact CD2-CB 3.9Å; L154-F185 HydrophobicContact CD2-CD1 3.67Å; L154-F185 HydrophobicContact CD2-CD2 3.9Å; L154-F185 HydrophobicContact CD2-CE1 4.18Å; L154-F185 HydrophobicContact CD2-CE2 4.37Å; L154-F185 HydrophobicContact CD2-CG 3.52Å; L154-F185 HydrophobicContact CD2-CZ 4.5Å; L154-F185 HydrophobicContact CG-CD1 4.16Å; L154-F185 HydrophobicContact CG-CD2 4.14Å; L154-F185 HydrophobicContact CG-CE1 4.16Å; L154-F185 HydrophobicContact CG-CE2 4.13Å; L154-F185 HydrophobicContact CG-CG 4.15Å; L154-F185 HydrophobicContact CG-CZ 4.14Å
155M98.8Very high97.8Very high45 Ų4545.6 Ų45.622%0.22222%0.222CC..Hα-helixtrans-54.4-56171.2-170.3-176.372.900110.6N151 L157 I158 E159 F185 M189 W193N151-M155 WeakPolarHBondContact O-CB 3.3Å; N151-M155 PolarHBondContact O-N 2.93Å; M155-L157 PolarHBondContact O-N 3.3Å; M155-I158 PolarHBondContact O-N 3.4Å; M155-E159 WeakPolarHBondContact O-CG 3.48Å; M155-E159 PolarHBondContact O-N 3.07Å; M155-F185 HydrophobicContact CB-CE2 4.01Å; M155-F185 HydrophobicContact CB-CZ 4.29Å; M155-M189 HydrophobicContact CB-SD 4.28Å; M155-M189 HydrophobicContact CG-SD 3.91Å; M155-M189 HydrophobicContact SD-CE 4.4Å; M155-M189 HydrophobicContact SD-SD 3.9Å; M155-W193 HydrophobicContact CB-CZ2 4.29Å; M155-W193 HydrophobicContact CG-CD2 4.43Å; M155-W193 HydrophobicContact CG-CZ2 3.59Å
156R98.8Very high97.8Very high130 Ų13045.9 Ų45.949%0.49124%0.236SC..Hα-helixtrans-62.1-38.9178.6-72.8-176.1-69.7-86.70.7113.2D152 I158 E159 E160D152-R156 PolarHBondContact O-N 2.8Å; D152-R156 PolarHBondContact O-NE 3.44Å; D152-R156 PolarHBondContact O-NH1 2.78Å; D152-R156 PolarHBondContact O-NH2 2.94Å; R156-I158 VanDerWaalsContact C-N 3.32Å; R156-I158 PolarHBondContact O-N 3.29Å; R156-E159 PolarHBondContact O-N 2.89Å; R156-E160 WeakPolarHBondContact O-CB 3.35Å; R156-E160 PolarHBondContact O-N 2.91Å
157L98.9Very high97.8Very high4 Ų450.3 Ų50.32%0.02126%0.26CS..Hα-helixtrans-61.8-41.1175.917961.6000111.5V29 W94 R134 A136 K153 L154 M155 T161V29-L157 HydrophobicContact CG1-CD2 4.08Å; W94-L157 HydrophobicContact CZ2-CB 4.24Å; W94-L157 HydrophobicContact CZ2-CD2 3.93Å; R134-L157 HydrophobicContact CB-CD1 4.09Å; R134-L157 HydrophobicContact CB-CD2 4.44Å; R134-L157 HydrophobicContact CB-CG 4.45Å; R134-L157 HydrophobicContact CG-CD1 4.15Å; A136-L157 HydrophobicContact CB-CD2 4.1Å; K153-L157 WeakPolarHBondContact O-CB 3.42Å; K153-L157 PolarHBondContact O-N 3.27Å; L154-L157 HydrophobicContact CD1-CD2 4.47Å; L154-L157 PolarHBondContact O-N 2.6Å; M155-L157 PolarHBondContact O-N 3.3Å; L157-T161 VanDerWaalsContact O-CB 3.3Å; L157-T161 WeakPolarHBondContact O-CB 3.35Å; L157-T161 PolarHBondContact O-N 2.82Å; L157-T161 PolarHBondContact O-OG1 3.2Å
158I98.9Very high97.8Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-70.2-39.3177.8-70.5164.1000111.2V29 L154 M155 R156 T161 Y162 V170 L172 F185 W193 I198V29-I158 HydrophobicContact CB-CG1 4.36Å; V29-I158 HydrophobicContact CG1-CG1 4.46Å; V29-I158 HydrophobicContact CG2-CG1 3.94Å; L154-I158 HydrophobicContact CD1-CD1 3.8Å; L154-I158 HydrophobicContact CD1-CG1 4.13Å; L154-I158 HydrophobicContact CG-CD1 3.82Å; L154-I158 WeakPolarHBondContact O-CB 2.97Å; L154-I158 WeakPolarHBondContact O-CD1 3.5Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.25Å; L154-I158 PolarHBondContact O-N 3.22Å; M155-I158 PolarHBondContact O-N 3.4Å; R156-I158 VanDerWaalsContact C-N 3.32Å; R156-I158 PolarHBondContact O-N 3.29Å; I158-T161 PolarHBondContact O-N 3.25Å; I158-Y162 WeakPolarHBondContact O-CB 3.3Å; I158-Y162 PolarHBondContact O-N 3.44Å; I158-V170 HydrophobicContact CG2-CB 4Å; I158-V170 HydrophobicContact CG2-CG1 4.46Å; I158-V170 HydrophobicContact CG2-CG2 3.82Å; I158-L172 HydrophobicContact CD1-CD1 4.05Å; I158-L172 HydrophobicContact CD1-CD2 4.38Å; I158-F185 HydrophobicContact CD1-CD1 4.37Å; I158-F185 HydrophobicContact CD1-CE1 3.45Å; I158-F185 VanDerWaalsContact CD1-CE1 3.45Å; I158-F185 HydrophobicContact CD1-CZ 3.79Å; I158-W193 HydrophobicContact CB-CH2 3.93Å; I158-W193 HydrophobicContact CB-CZ2 4.16Å; I158-W193 HydrophobicContact CD1-CH2 4.02Å; I158-W193 HydrophobicContact CG2-CH2 3.58Å; I158-W193 HydrophobicContact CG2-CZ2 3.95Å; I158-I198 HydrophobicContact CD1-CD1 4.14Å; I158-I198 HydrophobicContact CG2-CD1 4.1Å
159E98.9Very high97.9Very high46 Ų4647.8 Ų47.822%0.21525%0.247CC..Hα-helixtrans-61.7-42.9174.4-69.6169.515700112M155 R156 Q163 W193 Y197M155-E159 WeakPolarHBondContact O-CG 3.48Å; M155-E159 PolarHBondContact O-N 3.07Å; R156-E159 PolarHBondContact O-N 2.89Å; E159-Q163 WeakPolarHBondContact O-CG 3.33Å; E159-Q163 PolarHBondContact O-N 2.92Å; E159-W193 HydrophobicContact CG-CZ2 4.14Å; E159-W193 PolarHBondContact OE1-NE1 3.24Å; E159-Y197 HydrophobicContact CB-CE1 4.34Å; E159-Y197 HydrophobicContact CG-CD1 4.3Å; E159-Y197 HydrophobicContact CG-CD2 4.27Å; E159-Y197 HydrophobicContact CG-CE1 3.99Å; E159-Y197 HydrophobicContact CG-CE2 3.92Å; E159-Y197 HydrophobicContact CG-CG 4.43Å
160E98.8Very high98Very high76 Ų7646 Ų4636%0.35523%0.229SC..Hα-helixtrans-65.5-43.2173.7-159.7-145.2123.900111.3R134 R156 Y162 Q163 N164R134-E160 IonicContact CZ-OE1 2.66Å; R134-E160 IonicContact CZ-OE2 3.54Å; R134-E160 IonicContact NH1-OE1 2.67Å; R134-E160 PolarHBondContact NH1-OE1 2.98Å; R134-E160 IonicContact NH1-OE2 3.5Å; R134-E160 PolarHBondContact NH1-OE2 2.96Å; R134-E160 IonicContact NH2-OE1 3.39Å; R134-E160 PolarHBondContact NH2-OE1 3.2Å; R134-E160 IonicContact NH2-OE2 2.64Å; R134-E160 PolarHBondContact NH2-OE2 2.85Å; R156-E160 WeakPolarHBondContact O-CB 3.35Å; R156-E160 PolarHBondContact O-N 2.91Å; E160-Y162 VanDerWaalsContact C-N 3.32Å; E160-Y162 PolarHBondContact O-N 3Å; E160-Q163 PolarHBondContact O-N 2.91Å; E160-N164 WeakPolarHBondContact O-CB 3.4Å; E160-N164 VanDerWaalsContact O-CG 3.22Å; E160-N164 PolarHBondContact O-N 3.44Å; E160-N164 PolarHBondContact O-OD1 2.88Å; E160-N164 PolarHBondContact OE1-ND2 2.84Å; E160-N164 VanDerWaalsContact OE1-ND2 3.09Å
161T98.8Very high98Very high0 Ų045.5 Ų45.50%023%0.227CC..Hα-helixtrans-62.9-37.3178.3-56.90000112.4P27 V29 R134 L157 I158 G165 V170P27-T161 HydrophobicContact CB-CG2 3.66Å; P27-T161 HydrophobicContact CG-CG2 3.96Å; V29-T161 HydrophobicContact CG2-CG2 3.97Å; R134-T161 HydrophobicContact CG-CG2 4.17Å; R134-T161 VanDerWaalsContact CG-OG1 3.27Å; R134-T161 WeakPolarHBondContact CG-OG1 3.49Å; L157-T161 VanDerWaalsContact O-CB 3.3Å; L157-T161 WeakPolarHBondContact O-CB 3.35Å; L157-T161 PolarHBondContact O-N 2.82Å; L157-T161 PolarHBondContact O-OG1 3.2Å; I158-T161 PolarHBondContact O-N 3.25Å; T161-G165 PolarHBondContact O-N 2.81Å; T161-V170 HydrophobicContact CG2-CG1 3.92Å; T161-V170 HydrophobicContact CG2-CG2 4.05Å
162Y98.5Very high98Very high47 Ų4744.6 Ų44.618%0.18422%0.221CC..Hα-helixtrans-61-44.3173.8168.8-87.1000111.6I158 E160 G165 N167 R168 T196 Y197I158-Y162 WeakPolarHBondContact O-CB 3.3Å; I158-Y162 PolarHBondContact O-N 3.44Å; E160-Y162 VanDerWaalsContact C-N 3.32Å; E160-Y162 PolarHBondContact O-N 3Å; Y162-G165 PolarHBondContact O-N 3.22Å; Y162-N167 HydrophobicContact CE1-CB 3.75Å; Y162-N167 VanDerWaalsContact CE1-OD1 3.32Å; Y162-N167 WeakPolarHBondContact CE1-OD1 3.33Å; Y162-N167 VanDerWaalsContact O-CA 3.23Å; Y162-N167 WeakPolarHBondContact O-CA 3.17Å; Y162-N167 PolarHBondContact O-N 3.06Å; Y162-R168 VanDerWaalsContact CD2-C 3.41Å; Y162-R168 VanDerWaalsContact CD2-O 3.25Å; Y162-R168 WeakPolarHBondContact CD2-O 3.38Å; Y162-R168 PolarHBondContact O-N 2.81Å; Y162-T196 HydrophobicContact CE2-CG2 4.3Å; Y162-T196 WeakPolarHBondContact CE2-O 3.2Å; Y162-Y197 HydrophobicContact CD1-CD1 4.03Å; Y162-Y197 AromaticContact CD1-CE1 3.73Å; Y162-Y197 HydrophobicContact CD1-CE1 3.73Å; Y162-Y197 AromaticContact CD2-CD1 3.76Å; Y162-Y197 HydrophobicContact CD2-CD1 3.76Å; Y162-Y197 HydrophobicContact CD2-CE1 4.25Å; Y162-Y197 HydrophobicContact CE1-CE1 4.13Å; Y162-Y197 HydrophobicContact CE2-CD1 4.33Å; Y162-Y197 AromaticContact CG-CD1 3.6Å; Y162-Y197 HydrophobicContact CG-CD1 3.6Å; Y162-Y197 AromaticContact CG-CE1 3.8Å; Y162-Y197 HydrophobicContact CG-CE1 3.8Å
163Q98.6Very high98Very high120 Ų12040.7 Ų40.756%0.56120%0.201SC*.Hα-helixtrans-66.5-48.9177.2-67.3176.77.900110.9E159 E160 G165 G166E159-Q163 WeakPolarHBondContact O-CG 3.33Å; E159-Q163 PolarHBondContact O-N 2.92Å; E160-Q163 PolarHBondContact O-N 2.91Å; Q163-G165 PolarHBondContact O-N 3.38Å; Q163-G166 PolarHBondContact O-N 3.48Å
164N98.3Very high98Very high27 Ų2736.3 Ų36.314%0.14418%0.182CC..Hα-helixtrans-59.1-32.8177.5-66.9-5.4000112.7W131 R134 E160 G166W131-N164 HydrophobicContact CD2-CB 4Å; W131-N164 HydrophobicContact CG-CB 4.11Å; W131-N164 HydrophobicContact CZ2-CB 4.24Å; W131-N164 WeakPolarHBondContact CZ2-OD1 3.29Å; W131-N164 PolarHBondContact NE1-O 3.36Å; W131-N164 VanDerWaalsContact O-CB 3.24Å; W131-N164 WeakPolarHBondContact O-CB 3.05Å; W131-N164 PolarHBondContact O-ND2 2.8Å; W131-N164 VanDerWaalsContact O-ND2 3.13Å; R134-N164 PolarHBondContact NH1-ND2 3.17Å; E160-N164 WeakPolarHBondContact O-CB 3.4Å; E160-N164 VanDerWaalsContact O-CG 3.22Å; E160-N164 PolarHBondContact O-N 3.44Å; E160-N164 PolarHBondContact O-OD1 2.88Å; E160-N164 PolarHBondContact OE1-ND2 2.84Å; E160-N164 VanDerWaalsContact OE1-ND2 3.09Å; N164-G166 PolarHBondContact O-N 3.18Å
165G96.8Very high98Very high3 Ų336.5 Ų36.53%0.03118%0.182CC..THydrogen-bonded Turntrans-77.74.7173.800000115.6T161 Y162 Q163 R168T161-G165 PolarHBondContact O-N 2.81Å; Y162-G165 PolarHBondContact O-N 3.22Å; Q163-G165 PolarHBondContact O-N 3.38Å; G165-R168 WeakPolarHBondContact O-CD 3.45Å; G165-R168 WeakPolarHBondContact O-CG 3.49Å
166G96.5Very high97.9Very high51 Ų5134.9 Ų34.953%0.52618%0.176SC..THydrogen-bonded Turntrans80.642.2-179.800000113.6Q163 N164Q163-G166 PolarHBondContact O-N 3.48Å; N164-G166 PolarHBondContact O-N 3.18Å
167N97.4Very high97.9Very high107 Ų10728.7 Ų28.757%0.57215%0.152SC*.SBendtrans59.144.9-174.2-61.3-45.9000113.4Y162Y162-N167 HydrophobicContact CE1-CB 3.75Å; Y162-N167 VanDerWaalsContact CE1-OD1 3.32Å; Y162-N167 WeakPolarHBondContact CE1-OD1 3.33Å; Y162-N167 VanDerWaalsContact O-CA 3.23Å; Y162-N167 WeakPolarHBondContact O-CA 3.17Å; Y162-N167 PolarHBondContact O-N 3.06Å
168R95.2Very high97.9Very high78 Ų7828.5 Ų28.529%0.29415%0.151SC..  trans-112.9134.2178.3-63.4-175.8-166.9158.28.4110.5K25 Y26 Y162 G165K25-R168 WeakPolarHBondContact O-CD 3.25Å; K25-R168 PolarHBondContact O-NH1 3.03Å; Y26-R168 HydrophobicContact CD1-CB 4.28Å; Y162-R168 VanDerWaalsContact CD2-C 3.41Å; Y162-R168 VanDerWaalsContact CD2-O 3.25Å; Y162-R168 WeakPolarHBondContact CD2-O 3.38Å; Y162-R168 PolarHBondContact O-N 2.81Å; G165-R168 WeakPolarHBondContact O-CD 3.45Å; G165-R168 WeakPolarHBondContact O-CG 3.49Å
169S96.2Very high97.8Very high28 Ų2828.5 Ų28.520%0.19615%0.151CC..  trans-60.1143.817953.50000111.8Y26 T196 K199Y26-S169 WeakPolarHBondContact CB-O 3.44Å; Y26-S169 WeakPolarHBondContact CD1-O 3.44Å; S169-T196 WeakPolarHBondContact CB-O 3.41Å; S169-K199 WeakPolarHBondContact O-CB 3.2Å
170V97.7Very high97.8Very high0 Ų026.5 Ų26.50%014%0.142CC..EExtended strand (participates in β ladder)trans-93.8137.2-164.3-175.20000110.8P27 V29 I158 T161 Y197 K199P27-V170 HydrophobicContact CG-CG2 4.09Å; P27-V170 WeakPolarHBondContact O-CA 3.48Å; V29-V170 HydrophobicContact CB-CG1 4.22Å; V29-V170 HydrophobicContact CG2-CG1 3.7Å; I158-V170 HydrophobicContact CG2-CB 4Å; I158-V170 HydrophobicContact CG2-CG1 4.46Å; I158-V170 HydrophobicContact CG2-CG2 3.82Å; T161-V170 HydrophobicContact CG2-CG1 3.92Å; T161-V170 HydrophobicContact CG2-CG2 4.05Å; V170-Y197 WeakPolarHBondContact CB-O 3.4Å; V170-Y197 PolarHBondContact N-O 3.08Å; V170-K199 PolarHBondContact O-N 3.46Å
171V97.3Very high97.8Very high0 Ų022.9 Ų22.90%013%0.125CC..EExtended strand (participates in β ladder)trans-81.4115.9167174.60000108.8P27 I28 V29 K199 T200 V202 V385 I389P27-V171 PolarHBondContact O-N 3.26Å; I28-V171 WeakPolarHBondContact CA-O 3.48Å; I28-V171 HydrophobicContact CG1-CB 4.36Å; I28-V171 HydrophobicContact CG1-CG1 4.33Å; I28-V171 WeakPolarHBondContact CG1-O 3.4Å; V29-V171 PolarHBondContact N-O 3.04Å; V171-K199 HydrophobicContact CG2-CB 3.99Å; V171-K199 HydrophobicContact CG2-CG 3.95Å; V171-T200 HydrophobicContact CB-CG2 4.34Å; V171-T200 HydrophobicContact CG1-CG2 3.82Å; V171-T200 HydrophobicContact CG2-CG2 3.97Å; V171-V202 HydrophobicContact CG1-CG2 3.83Å; V171-V385 HydrophobicContact CB-CG1 3.66Å; V171-V385 HydrophobicContact CG1-CG1 4.14Å; V171-V385 HydrophobicContact CG2-CG1 3.27Å; V171-I389 HydrophobicContact CG2-CD1 3.86Å
172L98.4Very high97.8Very high0 Ų022.9 Ų22.90%013%0.125CC..EExtended strand (participates in β ladder)trans-92.3111174.2-172.262.2000108.7V29 I31 L154 I158 F185 L186 I198 T200 F201 V202V29-L172 HydrophobicContact CB-CD1 3.89Å; V29-L172 HydrophobicContact CG1-CD1 3.81Å; I31-L172 HydrophobicContact CD1-CD1 3.99Å; I31-L172 HydrophobicContact CD1-CD2 4.35Å; I31-L172 HydrophobicContact CD1-CG 4.31Å; I31-L172 HydrophobicContact CG1-CD1 4.05Å; L154-L172 HydrophobicContact CD1-CD1 4.39Å; I158-L172 HydrophobicContact CD1-CD1 4.05Å; I158-L172 HydrophobicContact CD1-CD2 4.38Å; L172-F185 HydrophobicContact CD2-CD1 3.87Å; L172-F185 HydrophobicContact CD2-CE1 4.24Å; L172-L186 HydrophobicContact CD2-CD1 4.04Å; L172-L186 HydrophobicContact CD2-CD2 4.14Å; L172-L186 HydrophobicContact CD2-CG 4.05Å; L172-I198 HydrophobicContact CB-CD1 4.49Å; L172-T200 PolarHBondContact N-O 2.98Å; L172-T200 VanDerWaalsContact N-O 3.1Å; L172-F201 HydrophobicContact CB-CD2 4.33Å; L172-F201 HydrophobicContact CD2-CD2 4.36Å; L172-F201 HydrophobicContact CG-CD2 4.27Å; L172-F201 CarbonylContact O-C 3.15Å; L172-F201 WeakPolarHBondContact O-CA 3.3Å; L172-F201 WeakPolarHBondContact O-CD2 2.38Å; L172-V202 PolarHBondContact O-N 2.77Å
173L98Very high97.8Very high0 Ų020.7 Ų20.70%012%0.116CC..EExtended strand (participates in β ladder)trans-102.1122.2174.4-173.1153.5000108.9I28 V29 I30 I31 M117 V202 L204 L381 I383I28-L173 HydrophobicContact CD1-CB 4.19Å; I28-L173 HydrophobicContact CD1-CD1 4.27Å; I28-L173 HydrophobicContact CG1-CB 4.43Å; V29-L173 PolarHBondContact O-N 3.49Å; I30-L173 CarbonylContact C-O 3.54Å; I30-L173 WeakPolarHBondContact CA-O 3.37Å; I30-L173 HydrophobicContact CG2-CD2 4.24Å; I31-L173 PolarHBondContact N-O 2.84Å; M117-L173 HydrophobicContact SD-CD1 4.31Å; L173-V202 WeakPolarHBondContact CA-O 3.11Å; L173-V202 HydrophobicContact CB-CB 4.23Å; L173-V202 HydrophobicContact CD1-CB 4.38Å; L173-V202 HydrophobicContact CD1-CG1 4.13Å; L173-V202 HydrophobicContact CG-CB 4.1Å; L173-V202 HydrophobicContact CG-CG1 4.14Å; L173-L204 HydrophobicContact CD2-CD2 4.37Å; L173-L381 HydrophobicContact CD1-CD2 4.07Å; L173-I383 HydrophobicContact CD1-CD1 4.33Å
174G98.3Very high97.7Very high0 Ų018 Ų180%010%0.101CC..EExtended strand (participates in β ladder)trans-116.1129.9170.500000110.3A179 V202 L204G174-A179 WeakPolarHBondContact O-CB 3.43Å; G174-V202 PolarHBondContact N-O 2.67Å; G174-L204 PolarHBondContact O-N 2.8Å
175H98.1Very high97.7Very high4 Ų416.7 Ų16.72%0.0199%0.094CC..EExtended strand (participates in β ladder)trans-105135.2174.6179.4-122.9000111.5I31 G33 Y113 L177 G178 A179 L204 H374 I377 I378I31-H175 PolarHBondContact O-N 3.34Å; G33-H175 WeakPolarHBondContact CA-O 3.11Å; G33-H175 PolarHBondContact N-O 2.78Å; Y113-H175 AromaticContact CE2-ND1 4Å; Y113-H175 AromaticContact CZ-ND1 3.76Å; Y113-H175 PolarHBondContact OH-ND1 2.84Å; H175-L177 PolarHBondContact O-N 2.85Å; H175-G178 VanDerWaalsContact O-CA 3.3Å; H175-G178 WeakPolarHBondContact O-CA 3.38Å; H175-G178 PolarHBondContact O-N 3.24Å; H175-A179 PolarHBondContact O-N 2.9Å; H175-L204 CarbonylContact C-O 3.59Å; H175-L204 WeakPolarHBondContact CA-O 3.4Å; H175-L204 HydrophobicContact CB-CB 4.41Å; H175-L204 HydrophobicContact CB-CD2 4.25Å; H175-L204 PolarHBondContact CD2-O 3.39Å; H175-L204 VanDerWaalsContact CD2-O 3.29Å; H175-H374 PolarHBondContact CE1-O 3Å; H175-H374 PolarHBondContact NE2-O 2.75Å; H175-I377 VanDerWaalsContact NE2-CG2 3.31Å; H175-I377 WeakPolarHBondContact NE2-CG2 3.24Å; H175-I378 HydrophobicContact CB-CD1 3.82Å
176S97.9Very high97.8Very high11 Ų1116.5 Ų16.58%0.0779%0.093CC..THydrogen-bonded Turntrans50.2-120.7175.1-172.90000112.2G178 A179 L204 P207 H374S176-G178 PolarHBondContact O-N 3.47Å; S176-A179 VanDerWaalsContact O-CB 3.24Å; S176-A179 WeakPolarHBondContact O-CB 3.43Å; S176-A179 PolarHBondContact O-N 3.27Å; S176-L204 PolarHBondContact N-O 3.19Å; S176-P207 VanDerWaalsContact C-CD 3.5Å; S176-P207 WeakPolarHBondContact O-CD 3.31Å; S176-H374 VanDerWaalsContact CB-NE2 3.33Å; S176-H374 WeakPolarHBondContact CB-NE2 3.39Å; S176-H374 PolarHBondContact OG-CE1 3.26Å; S176-H374 PolarHBondContact OG-NE2 2.58Å
177L98Very high97.8Very high0 Ų017.1 Ų17.10%08%0.081CC..Hα-helixtrans-53-39.7173.4-178.363.3000112.7D34 F138 F140 H175 A179 K180 Y181 F246 L247D34-L177 HydrophobicContact CB-CB 4.08Å; D34-L177 HydrophobicContact CB-CD2 3.99Å; F138-L177 HydrophobicContact CE2-CD2 4.1Å; F138-L177 HydrophobicContact CZ-CD2 4.13Å; F138-L177 HydrophobicContact CZ-CG 4.26Å; F140-L177 HydrophobicContact CB-CD2 4.23Å; H175-L177 PolarHBondContact O-N 2.85Å; L177-A179 PolarHBondContact O-N 3.22Å; L177-K180 WeakPolarHBondContact O-CA 3.15Å; L177-K180 WeakPolarHBondContact O-CB 3.43Å; L177-K180 PolarHBondContact O-N 3.35Å; L177-Y181 HydrophobicContact CD1-CD2 4.15Å; L177-Y181 HydrophobicContact CD1-CE2 3.94Å; L177-Y181 HydrophobicContact CD2-CE2 4.23Å; L177-Y181 HydrophobicContact CG-CD2 3.97Å; L177-Y181 HydrophobicContact CG-CE2 3.88Å; L177-Y181 WeakPolarHBondContact O-CD2 3.23Å; L177-Y181 PolarHBondContact O-N 2.95Å; L177-F246 HydrophobicContact CD1-CD1 3.78Å; L177-F246 HydrophobicContact CD1-CE1 3.97Å; L177-L247 HydrophobicContact CD1-CD1 4.24Å; L177-L247 HydrophobicContact CD1-CD2 4.2Å; L177-L247 HydrophobicContact CD1-CG 4.21Å
178G98.6Very high97.7Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-59.6-26.9175.200000114.3P32 H175 S176 Y181 G182P32-G178 WeakPolarHBondContact O-CA 3.41Å; P32-G178 PolarHBondContact O-N 3.45Å; P32-G178 VanDerWaalsContact O-N 3.11Å; H175-G178 VanDerWaalsContact O-CA 3.3Å; H175-G178 WeakPolarHBondContact O-CA 3.38Å; H175-G178 PolarHBondContact O-N 3.24Å; S176-G178 PolarHBondContact O-N 3.47Å; G178-Y181 PolarHBondContact O-N 3.44Å; G178-G182 PolarHBondContact O-N 3.16Å
179A98.4Very high97.9Very high0 Ų012.2 Ų12.20%07%0.065CC..Hα-helixtrans-68.4-41.9170.700000111.4G174 H175 S176 L177 Y181 G182 M183 F201 A206G174-A179 WeakPolarHBondContact O-CB 3.43Å; H175-A179 PolarHBondContact O-N 2.9Å; S176-A179 VanDerWaalsContact O-CB 3.24Å; S176-A179 WeakPolarHBondContact O-CB 3.43Å; S176-A179 PolarHBondContact O-N 3.27Å; L177-A179 PolarHBondContact O-N 3.22Å; A179-Y181 VanDerWaalsContact C-N 3.33Å; A179-Y181 PolarHBondContact O-N 3.29Å; A179-G182 PolarHBondContact O-N 2.92Å; A179-M183 WeakPolarHBondContact O-CG 3.28Å; A179-M183 PolarHBondContact O-N 3.4Å; A179-F201 HydrophobicContact CB-CZ 4.31Å; A179-F201 WeakPolarHBondContact O-CZ 2.52Å; A179-A206 HydrophobicContact CB-CB 3.44Å; A179-A206 VanDerWaalsContact CB-CB 3.44Å
180K98.2Very high97.9Very high5 Ų518.6 Ų18.62%0.0229%0.089CC..Hα-helixtrans-64.7-37.3173.9-62.4-174.777.4-157.80111.5L177 M183 Y184 P207 F246 L247 I296L177-K180 WeakPolarHBondContact O-CA 3.15Å; L177-K180 WeakPolarHBondContact O-CB 3.43Å; L177-K180 PolarHBondContact O-N 3.35Å; K180-M183 PolarHBondContact O-N 2.73Å; K180-Y184 PolarHBondContact O-N 3.05Å; K180-P207 HydrophobicContact CD-CG 4.26Å; K180-F246 HydrophobicContact CB-CE1 3.84Å; K180-F246 HydrophobicContact CB-CZ 4.13Å; K180-F246 HydrophobicContact CD-CD1 4.38Å; K180-F246 HydrophobicContact CD-CE1 3.83Å; K180-F246 HydrophobicContact CD-CZ 4.2Å; K180-F246 VanDerWaalsContact CE-CZ 3.42Å; K180-F246 HydrophobicContact CG-CE1 4.48Å; K180-F246 VanDerWaalsContact NZ-CD1 3.29Å; K180-F246 VanDerWaalsContact NZ-CD2 3.34Å; K180-F246 PolarHBondContact NZ-O 3.24Å; K180-L247 HydrophobicContact CD-CD2 3.9Å; K180-I296 HydrophobicContact CB-CD1 4Å
181Y98.6Very high98Very high0 Ų024.5 Ų24.50%012%0.115CC..Hα-helixtrans-63.3-45.1171.4-89-110.2000112.2F138 K142 A143 P144 N147 F150 L177 G178 A179 M183 Y184 F185F138-Y181 AromaticContact CD2-CD1 3.98Å; F138-Y181 HydrophobicContact CD2-CD1 3.98Å; F138-Y181 AromaticContact CD2-CE1 3.46Å; F138-Y181 HydrophobicContact CD2-CE1 3.46Å; F138-Y181 VanDerWaalsContact CD2-CE1 3.46Å; F138-Y181 HydrophobicContact CD2-CE2 4.2Å; F138-Y181 AromaticContact CD2-CZ 3.59Å; F138-Y181 AromaticContact CE2-CD1 3.95Å; F138-Y181 HydrophobicContact CE2-CD1 3.95Å; F138-Y181 AromaticContact CE2-CD2 3.83Å; F138-Y181 HydrophobicContact CE2-CD2 3.83Å; F138-Y181 AromaticContact CE2-CE1 3.58Å; F138-Y181 HydrophobicContact CE2-CE1 3.58Å; F138-Y181 AromaticContact CE2-CE2 3.45Å; F138-Y181 HydrophobicContact CE2-CE2 3.45Å; F138-Y181 VanDerWaalsContact CE2-CE2 3.45Å; F138-Y181 HydrophobicContact CE2-CG 4.07Å; F138-Y181 AromaticContact CE2-CZ 3.31Å; F138-Y181 HydrophobicContact CG-CD1 4.4Å; F138-Y181 HydrophobicContact CG-CE1 4.2Å; F138-Y181 HydrophobicContact CZ-CD1 4.34Å; F138-Y181 AromaticContact CZ-CD2 3.96Å; F138-Y181 HydrophobicContact CZ-CD2 3.96Å; F138-Y181 HydrophobicContact CZ-CE1 4.4Å; F138-Y181 HydrophobicContact CZ-CE2 4.03Å; F138-Y181 HydrophobicContact CZ-CG 4.13Å; K142-Y181 PolarHBondContact O-OH 2.88Å; A143-Y181 PolarHBondContact O-OH 3.04Å; P144-Y181 HydrophobicContact CB-CE1 4.25Å; P144-Y181 HydrophobicContact CB-CE2 4.45Å; P144-Y181 HydrophobicContact CG-CD1 4.45Å; P144-Y181 HydrophobicContact CG-CD2 3.86Å; P144-Y181 HydrophobicContact CG-CE1 4.21Å; P144-Y181 HydrophobicContact CG-CE2 3.57Å; P144-Y181 HydrophobicContact CG-CG 4.29Å; N147-Y181 HydrophobicContact CB-CE1 4.02Å; N147-Y181 PolarHBondContact ND2-OH 2.73Å; F150-Y181 AromaticContact CD1-CD1 3.87Å; F150-Y181 HydrophobicContact CD1-CD1 3.87Å; F150-Y181 HydrophobicContact CD1-CE1 4.44Å; F150-Y181 HydrophobicContact CD2-CD1 4.43Å; F150-Y181 AromaticContact CE1-CD1 3.65Å; F150-Y181 HydrophobicContact CE1-CD1 3.65Å; F150-Y181 HydrophobicContact CE1-CG 4.44Å; F150-Y181 HydrophobicContact CE2-CD1 4.22Å; F150-Y181 HydrophobicContact CG-CD1 4.28Å; F150-Y181 HydrophobicContact CG-CE1 4.49Å; F150-Y181 AromaticContact CZ-CD1 3.83Å; F150-Y181 HydrophobicContact CZ-CD1 3.83Å; L177-Y181 HydrophobicContact CD1-CD2 4.15Å; L177-Y181 HydrophobicContact CD1-CE2 3.94Å; L177-Y181 HydrophobicContact CD2-CE2 4.23Å; L177-Y181 HydrophobicContact CG-CD2 3.97Å; L177-Y181 HydrophobicContact CG-CE2 3.88Å; L177-Y181 WeakPolarHBondContact O-CD2 3.23Å; L177-Y181 PolarHBondContact O-N 2.95Å; G178-Y181 PolarHBondContact O-N 3.44Å; A179-Y181 VanDerWaalsContact C-N 3.33Å; A179-Y181 PolarHBondContact O-N 3.29Å; Y181-M183 VanDerWaalsContact C-N 3.3Å; Y181-M183 PolarHBondContact O-N 2.72Å; Y181-Y184 PolarHBondContact O-N 2.86Å; Y181-F185 WeakPolarHBondContact O-CB 3.42Å; Y181-F185 PolarHBondContact O-N 2.86Å
182G98.5Very high98Very high0 Ų028.6 Ų28.60%014%0.143CC..Hα-helixtrans-57.3-42.117300000112.4G178 A179 L186G178-G182 PolarHBondContact O-N 3.16Å; A179-G182 PolarHBondContact O-N 2.92Å; G182-L186 VanDerWaalsContact O-CB 3.31Å; G182-L186 WeakPolarHBondContact O-CB 3.43Å; G182-L186 WeakPolarHBondContact O-CD1 3.37Å; G182-L186 WeakPolarHBondContact O-CG 3.2Å; G182-L186 PolarHBondContact O-N 2.82Å
183M97.9Very high98Very high0 Ų029.8 Ų29.80%015%0.148CC..Hα-helixtrans-64.9-44.5174.7-69.8179.168.600113.1A179 K180 Y181 L186 K187 F201 L208 I296 T298 P302 W361A179-M183 WeakPolarHBondContact O-CG 3.28Å; A179-M183 PolarHBondContact O-N 3.4Å; K180-M183 PolarHBondContact O-N 2.73Å; Y181-M183 VanDerWaalsContact C-N 3.3Å; Y181-M183 PolarHBondContact O-N 2.72Å; M183-L186 PolarHBondContact O-N 2.8Å; M183-K187 WeakPolarHBondContact O-CB 3.26Å; M183-K187 WeakPolarHBondContact O-CG 3.13Å; M183-K187 PolarHBondContact O-N 3.4Å; M183-F201 HydrophobicContact CG-CE1 3.7Å; M183-F201 HydrophobicContact CG-CZ 4.09Å; M183-L208 HydrophobicContact CE-CD2 4.22Å; M183-L208 HydrophobicContact SD-CD2 3.37Å; M183-L208 WeakPolarHBondContact SD-CD2 2.11Å; M183-I296 HydrophobicContact CB-CD1 4.41Å; M183-T298 HydrophobicContact CE-CG2 4.28Å; M183-T298 HydrophobicContact SD-CG2 4.45Å; M183-P302 HydrophobicContact CB-CG 4.48Å; M183-P302 HydrophobicContact CE-CG 4.42Å; M183-P302 HydrophobicContact CG-CG 4Å; M183-W361 HydrophobicContact CE-CH2 3.66Å; M183-W361 HydrophobicContact CE-CZ2 3.53Å; M183-W361 HydrophobicContact SD-CH2 3.72Å; M183-W361 HydrophobicContact SD-CZ2 4.09Å
184Y97.8Very high98Very high63 Ų6330 Ų3025%0.24715%0.149CC..Hα-helixtrans-59.5-47.6175.8176-111.5000111.5P144 N151 K180 Y181 K187 S188 I295 I296P144-Y184 HydrophobicContact CB-CD1 3.47Å; P144-Y184 VanDerWaalsContact CB-CD1 3.47Å; P144-Y184 HydrophobicContact CB-CD2 4.32Å; P144-Y184 HydrophobicContact CB-CE1 3.71Å; P144-Y184 HydrophobicContact CB-CG 3.78Å; P144-Y184 HydrophobicContact CG-CG 4.49Å; N151-Y184 VanDerWaalsContact ND2-CE1 3.29Å; N151-Y184 WeakPolarHBondContact ND2-CE1 3.43Å; N151-Y184 WeakPolarHBondContact OD1-CD1 3.41Å; K180-Y184 PolarHBondContact O-N 3.05Å; Y181-Y184 PolarHBondContact O-N 2.86Å; Y184-K187 PolarHBondContact O-N 3.34Å; Y184-S188 PolarHBondContact O-N 3.43Å; Y184-S188 VanDerWaalsContact O-N 3.1Å; Y184-I295 HydrophobicContact CD2-CG1 4.27Å; Y184-I295 HydrophobicContact CE2-CB 4.37Å; Y184-I295 HydrophobicContact CE2-CG1 4.31Å; Y184-I296 HydrophobicContact CD2-CG2 3.72Å; Y184-I296 HydrophobicContact CG-CG2 4.19Å
185F98.5Very high98Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-55.9-56.3173.5172.7-109.8000111.8N151 L154 M155 I158 L172 Y181 K187 S188 M189 W193N151-F185 HydrophobicContact CB-CD2 3.96Å; N151-F185 WeakPolarHBondContact O-CE2 3.01Å; L154-F185 HydrophobicContact CB-CD2 4.21Å; L154-F185 HydrophobicContact CB-CE2 4.16Å; L154-F185 HydrophobicContact CD2-CB 3.9Å; L154-F185 HydrophobicContact CD2-CD1 3.67Å; L154-F185 HydrophobicContact CD2-CD2 3.9Å; L154-F185 HydrophobicContact CD2-CE1 4.18Å; L154-F185 HydrophobicContact CD2-CE2 4.37Å; L154-F185 HydrophobicContact CD2-CG 3.52Å; L154-F185 HydrophobicContact CD2-CZ 4.5Å; L154-F185 HydrophobicContact CG-CD1 4.16Å; L154-F185 HydrophobicContact CG-CD2 4.14Å; L154-F185 HydrophobicContact CG-CE1 4.16Å; L154-F185 HydrophobicContact CG-CE2 4.13Å; L154-F185 HydrophobicContact CG-CG 4.15Å; L154-F185 HydrophobicContact CG-CZ 4.14Å; M155-F185 HydrophobicContact CB-CE2 4.01Å; M155-F185 HydrophobicContact CB-CZ 4.29Å; I158-F185 HydrophobicContact CD1-CD1 4.37Å; I158-F185 HydrophobicContact CD1-CE1 3.45Å; I158-F185 VanDerWaalsContact CD1-CE1 3.45Å; I158-F185 HydrophobicContact CD1-CZ 3.79Å; L172-F185 HydrophobicContact CD2-CD1 3.87Å; L172-F185 HydrophobicContact CD2-CE1 4.24Å; Y181-F185 WeakPolarHBondContact O-CB 3.42Å; Y181-F185 PolarHBondContact O-N 2.86Å; F185-K187 VanDerWaalsContact C-N 3.28Å; F185-K187 PolarHBondContact O-N 3.1Å; F185-S188 WeakPolarHBondContact O-CA 3.46Å; F185-S188 PolarHBondContact O-N 2.82Å; F185-S188 PolarHBondContact O-OG 2.96Å; F185-M189 HydrophobicContact CD1-CG 4.44Å; F185-M189 HydrophobicContact CD2-CE 4.11Å; F185-M189 HydrophobicContact CD2-CG 4.06Å; F185-M189 HydrophobicContact CD2-SD 4.47Å; F185-M189 HydrophobicContact CE1-CG 3.99Å; F185-M189 HydrophobicContact CE2-CE 3.72Å; F185-M189 HydrophobicContact CE2-CG 3.57Å; F185-M189 HydrophobicContact CE2-SD 3.65Å; F185-M189 HydrophobicContact CG-CG 4.47Å; F185-M189 HydrophobicContact CZ-CG 3.53Å; F185-M189 HydrophobicContact CZ-SD 3.88Å; F185-M189 WeakPolarHBondContact O-CG 3.02Å; F185-M189 PolarHBondContact O-N 2.78Å; F185-M189 VanDerWaalsContact O-N 3.1Å; F185-W193 AromaticContact CE1-CH2 3.9Å; F185-W193 HydrophobicContact CE1-CH2 3.9Å; F185-W193 AromaticContact CE1-CZ3 3.9Å; F185-W193 HydrophobicContact CE1-CZ3 3.9Å; F185-W193 AromaticContact CZ-CH2 3.5Å; F185-W193 HydrophobicContact CZ-CH2 3.5Å; F185-W193 HydrophobicContact CZ-CZ2 4.29Å; F185-W193 AromaticContact CZ-CZ3 3.73Å; F185-W193 HydrophobicContact CZ-CZ3 3.73Å
186L98.4Very high98Very high0 Ų037.8 Ų37.80%019%0.193CC..Hα-helixtrans-66.5-24.3-176.2-68.2167.4000114.1L172 G182 M183 K194 I198 F201 P302 I305L172-L186 HydrophobicContact CD2-CD1 4.04Å; L172-L186 HydrophobicContact CD2-CD2 4.14Å; L172-L186 HydrophobicContact CD2-CG 4.05Å; G182-L186 VanDerWaalsContact O-CB 3.31Å; G182-L186 WeakPolarHBondContact O-CB 3.43Å; G182-L186 WeakPolarHBondContact O-CD1 3.37Å; G182-L186 WeakPolarHBondContact O-CG 3.2Å; G182-L186 PolarHBondContact O-N 2.82Å; M183-L186 PolarHBondContact O-N 2.8Å; L186-K194 HydrophobicContact CD2-CD 4.31Å; L186-K194 HydrophobicContact CD2-CG 4.5Å; L186-K194 WeakPolarHBondContact O-CD 3.37Å; L186-K194 PolarHBondContact O-NZ 3.11Å; L186-I198 HydrophobicContact CD2-CD1 4.02Å; L186-I198 HydrophobicContact CD2-CG1 3.87Å; L186-I198 HydrophobicContact CD2-CG2 4.36Å; L186-F201 HydrophobicContact CD1-CB 3.64Å; L186-F201 HydrophobicContact CD1-CD1 4.04Å; L186-F201 HydrophobicContact CD1-CD2 3.68Å; L186-F201 HydrophobicContact CD1-CE2 4.38Å; L186-F201 HydrophobicContact CD1-CG 3.51Å; L186-P302 HydrophobicContact CB-CB 4.17Å; L186-I305 HydrophobicContact CB-CD1 4.27Å; L186-I305 HydrophobicContact CD1-CD1 3.64Å; L186-I305 HydrophobicContact CD2-CD1 3.86Å; L186-I305 HydrophobicContact CG-CD1 4.12Å
187K96.5Very high98Very high63 Ų6339.6 Ų39.627%0.27420%0.199SC..Hα-helixtrans-76.6-28.1169.8-76.4-166.8171.1-169.20112.9M183 Y184 F185 D297 E300M183-K187 WeakPolarHBondContact O-CB 3.26Å; M183-K187 WeakPolarHBondContact O-CG 3.13Å; M183-K187 PolarHBondContact O-N 3.4Å; Y184-K187 PolarHBondContact O-N 3.34Å; F185-K187 VanDerWaalsContact C-N 3.28Å; F185-K187 PolarHBondContact O-N 3.1Å; K187-D297 PolarHBondContact NZ-O 2.92Å; K187-E300 PolarHBondContact NZ-O 2.83Å; K187-E300 IonicContact NZ-OE2 2.76Å; K187-E300 PolarHBondContact NZ-OE2 3.45Å
188S96.2Very high98Very high59 Ų5940.2 Ų40.241%0.41320%0.202SC..Hα-helixtrans-79.9-21.6174.276.10000114.4N151 Y184 F185N151-S188 PolarHBondContact ND2-OG 3.26Å; Y184-S188 PolarHBondContact O-N 3.43Å; Y184-S188 VanDerWaalsContact O-N 3.1Å; F185-S188 WeakPolarHBondContact O-CA 3.46Å; F185-S188 PolarHBondContact O-N 2.82Å; F185-S188 PolarHBondContact O-OG 2.96Å
189M97.9Very high97.8Very high24 Ų2442.7 Ų42.712%0.11821%0.212CC..SBendtrans-81.3141.2-175.8-70.6-59.7107.600114M155 F185 W193 K194M155-M189 HydrophobicContact CB-SD 4.28Å; M155-M189 HydrophobicContact CG-SD 3.91Å; M155-M189 HydrophobicContact SD-CE 4.4Å; M155-M189 HydrophobicContact SD-SD 3.9Å; F185-M189 HydrophobicContact CD1-CG 4.44Å; F185-M189 HydrophobicContact CD2-CE 4.11Å; F185-M189 HydrophobicContact CD2-CG 4.06Å; F185-M189 HydrophobicContact CD2-SD 4.47Å; F185-M189 HydrophobicContact CE1-CG 3.99Å; F185-M189 HydrophobicContact CE2-CE 3.72Å; F185-M189 HydrophobicContact CE2-CG 3.57Å; F185-M189 HydrophobicContact CE2-SD 3.65Å; F185-M189 HydrophobicContact CG-CG 4.47Å; F185-M189 HydrophobicContact CZ-CG 3.53Å; F185-M189 HydrophobicContact CZ-SD 3.88Å; F185-M189 WeakPolarHBondContact O-CG 3.02Å; F185-M189 PolarHBondContact O-N 2.78Å; F185-M189 VanDerWaalsContact O-N 3.1Å; M189-W193 HydrophobicContact CB-CE3 3.88Å; M189-W193 HydrophobicContact CB-CZ3 4.35Å; M189-W193 HydrophobicContact CG-CD2 4.46Å; M189-W193 HydrophobicContact CG-CE3 3.8Å; M189-W193 HydrophobicContact CG-CZ3 3.91Å; M189-W193 HydrophobicContact SD-CD2 4.14Å; M189-W193 HydrophobicContact SD-CE3 4.07Å; M189-W193 HydrophobicContact SD-CZ3 4.37Å; M189-K194 HydrophobicContact CB-CD 4.23Å; M189-K194 HydrophobicContact CB-CG 3.93Å; M189-K194 WeakPolarHBondContact O-CE 3.35Å
190K97.7Very high97.6Very high162 Ų16242.7 Ų42.770%0.70421%0.212SC*.  trans-64.8145.3176.5-66.9176.4-178.1173.30111.8S192 W193 K194K190-S192 PolarHBondContact O-N 3.3Å; K190-W193 HydrophobicContact CB-CB 4.39Å; K190-W193 WeakPolarHBondContact O-CB 3.31Å; K190-W193 PolarHBondContact O-N 2.91Å; K190-W193 VanDerWaalsContact O-N 3.08Å; K190-K194 PolarHBondContact O-N 3.05Å
191K98Very high97.6Very high123 Ų12342.4 Ų42.454%0.53521%0.211SC..Hα-helixtrans-48.6-52.9175.3177.1174.5-169.4115.50113W193 K194 N195 D304K191-W193 VanDerWaalsContact C-N 3.25Å; K191-W193 PolarHBondContact O-N 3.45Å; K191-K194 PolarHBondContact O-N 2.88Å; K191-N195 PolarHBondContact O-N 2.03Å; K191-N195 PolarHBondContact O-OD1 3.35Å; K191-D304 HydrophobicContact CB-CB 4.28Å; K191-D304 VanDerWaalsContact CD-OD1 3.3Å; K191-D304 WeakPolarHBondContact CD-OD1 3.38Å; K191-D304 WeakPolarHBondContact CE-OD1 3.5Å; K191-D304 HydrophobicContact CG-CB 3.93Å; K191-D304 IonicContact NZ-OD1 3.16Å; K191-D304 PolarHBondContact NZ-OD1 3.42Å
192S98Very high97.5Very high86 Ų8642.4 Ų42.460%0.60121%0.211SC*.Hα-helixtrans-61.2-32.5-179.349.40000113.4K190 T196K190-S192 PolarHBondContact O-N 3.3Å; S192-T196 PolarHBondContact O-N 2.67Å; S192-T196 PolarHBondContact O-OG1 2.79Å
193W98.6Very high97.4Very high26 Ų2642.4 Ų42.410%0.09821%0.211CC..Hα-helixtrans-70-48174.7-173.395.9000110.9M155 I158 E159 F185 M189 K190 K191 N195 T196 Y197 I198M155-W193 HydrophobicContact CB-CZ2 4.29Å; M155-W193 HydrophobicContact CG-CD2 4.43Å; M155-W193 HydrophobicContact CG-CZ2 3.59Å; I158-W193 HydrophobicContact CB-CH2 3.93Å; I158-W193 HydrophobicContact CB-CZ2 4.16Å; I158-W193 HydrophobicContact CD1-CH2 4.02Å; I158-W193 HydrophobicContact CG2-CH2 3.58Å; I158-W193 HydrophobicContact CG2-CZ2 3.95Å; E159-W193 HydrophobicContact CG-CZ2 4.14Å; E159-W193 PolarHBondContact OE1-NE1 3.24Å; F185-W193 AromaticContact CE1-CH2 3.9Å; F185-W193 HydrophobicContact CE1-CH2 3.9Å; F185-W193 AromaticContact CE1-CZ3 3.9Å; F185-W193 HydrophobicContact CE1-CZ3 3.9Å; F185-W193 AromaticContact CZ-CH2 3.5Å; F185-W193 HydrophobicContact CZ-CH2 3.5Å; F185-W193 HydrophobicContact CZ-CZ2 4.29Å; F185-W193 AromaticContact CZ-CZ3 3.73Å; F185-W193 HydrophobicContact CZ-CZ3 3.73Å; M189-W193 HydrophobicContact CB-CE3 3.88Å; M189-W193 HydrophobicContact CB-CZ3 4.35Å; M189-W193 HydrophobicContact CG-CD2 4.46Å; M189-W193 HydrophobicContact CG-CE3 3.8Å; M189-W193 HydrophobicContact CG-CZ3 3.91Å; M189-W193 HydrophobicContact SD-CD2 4.14Å; M189-W193 HydrophobicContact SD-CE3 4.07Å; M189-W193 HydrophobicContact SD-CZ3 4.37Å; K190-W193 HydrophobicContact CB-CB 4.39Å; K190-W193 WeakPolarHBondContact O-CB 3.31Å; K190-W193 PolarHBondContact O-N 2.91Å; K190-W193 VanDerWaalsContact O-N 3.08Å; K191-W193 VanDerWaalsContact C-N 3.25Å; K191-W193 PolarHBondContact O-N 3.45Å; W193-N195 PolarHBondContact O-N 3.48Å; W193-T196 PolarHBondContact O-N 3.26Å; W193-Y197 AromaticContact CD1-CD2 3.52Å; W193-Y197 AromaticContact CD1-CE2 3.63Å; W193-Y197 AromaticContact CD2-CD2 3.77Å; W193-Y197 HydrophobicContact CD2-CD2 3.77Å; W193-Y197 AromaticContact CE2-CD2 3.44Å; W193-Y197 VanDerWaalsContact CE2-CD2 3.44Å; W193-Y197 AromaticContact CG-CD2 3.79Å; W193-Y197 HydrophobicContact CG-CD2 3.79Å; W193-Y197 HydrophobicContact CG-CE2 4.29Å; W193-Y197 HydrophobicContact CZ2-CD2 4Å; W193-Y197 HydrophobicContact CZ2-CG 4.16Å; W193-Y197 AromaticContact NE1-CD2 3.3Å; W193-Y197 VanDerWaalsContact NE1-CD2 3.3Å; W193-Y197 AromaticContact NE1-CE2 3.51Å; W193-Y197 WeakPolarHBondContact O-CD2 3.43Å; W193-Y197 PolarHBondContact O-N 3.31Å; W193-I198 HydrophobicContact CE3-CG1 4.44Å; W193-I198 HydrophobicContact CH2-CD1 4.08Å; W193-I198 HydrophobicContact CH2-CG1 4.39Å; W193-I198 HydrophobicContact CZ3-CD1 3.82Å; W193-I198 HydrophobicContact CZ3-CG1 3.69Å
194K98.4Very high97.4Very high3 Ų342.4 Ų42.41%0.01321%0.211CC..Hα-helixtrans-59-45.7177.4-73.1-175.9-74.3-172.30112.1L186 M189 K190 K191 T196 Y197 I198 S303 D304 I305L186-K194 HydrophobicContact CD2-CD 4.31Å; L186-K194 HydrophobicContact CD2-CG 4.5Å; L186-K194 WeakPolarHBondContact O-CD 3.37Å; L186-K194 PolarHBondContact O-NZ 3.11Å; M189-K194 HydrophobicContact CB-CD 4.23Å; M189-K194 HydrophobicContact CB-CG 3.93Å; M189-K194 WeakPolarHBondContact O-CE 3.35Å; K190-K194 PolarHBondContact O-N 3.05Å; K191-K194 PolarHBondContact O-N 2.88Å; K194-T196 VanDerWaalsContact C-N 3.25Å; K194-T196 PolarHBondContact O-N 2.88Å; K194-Y197 PolarHBondContact O-N 3.02Å; K194-I198 HydrophobicContact CB-CG1 4.5Å; K194-I198 HydrophobicContact CG-CG1 4.37Å; K194-I198 WeakPolarHBondContact O-CB 3.2Å; K194-I198 PolarHBondContact O-N 3.14Å; K194-S303 PolarHBondContact NZ-O 2.7Å; K194-S303 PolarHBondContact NZ-OG 3.31Å; K194-D304 IonicContact NZ-OD2 2.73Å; K194-I305 HydrophobicContact CD-CG1 4.29Å
195N97.4Very high97.4Very high104 Ų10439.4 Ų39.456%0.55620%0.2SC*.Hα-helixtrans-58-32.6177.9-77.941.5000113.8K191 W193K191-N195 PolarHBondContact O-N 2.03Å; K191-N195 PolarHBondContact O-OD1 3.35Å; W193-N195 PolarHBondContact O-N 3.48Å
196T97.6Very high97.4Very high65 Ų6539.6 Ų39.640%0.39920%0.201SC..Hα-helixtrans-82.7-47.4177.2-59.20000111.7Y162 S169 S192 W193 K194Y162-T196 HydrophobicContact CE2-CG2 4.3Å; Y162-T196 WeakPolarHBondContact CE2-O 3.2Å; S169-T196 WeakPolarHBondContact CB-O 3.41Å; S192-T196 PolarHBondContact O-N 2.67Å; S192-T196 PolarHBondContact O-OG1 2.79Å; W193-T196 PolarHBondContact O-N 3.26Å; K194-T196 VanDerWaalsContact C-N 3.25Å; K194-T196 PolarHBondContact O-N 2.88Å
197Y98.4Very high97.4Very high49 Ų4939.7 Ų39.719%0.19220%0.202CC..Hα-helixtrans-103.9-18.1-162.1-66.2-65.2000115.3E159 Y162 V170 W193 K194E159-Y197 HydrophobicContact CB-CE1 4.34Å; E159-Y197 HydrophobicContact CG-CD1 4.3Å; E159-Y197 HydrophobicContact CG-CD2 4.27Å; E159-Y197 HydrophobicContact CG-CE1 3.99Å; E159-Y197 HydrophobicContact CG-CE2 3.92Å; E159-Y197 HydrophobicContact CG-CG 4.43Å; Y162-Y197 HydrophobicContact CD1-CD1 4.03Å; Y162-Y197 AromaticContact CD1-CE1 3.73Å; Y162-Y197 HydrophobicContact CD1-CE1 3.73Å; Y162-Y197 AromaticContact CD2-CD1 3.76Å; Y162-Y197 HydrophobicContact CD2-CD1 3.76Å; Y162-Y197 HydrophobicContact CD2-CE1 4.25Å; Y162-Y197 HydrophobicContact CE1-CE1 4.13Å; Y162-Y197 HydrophobicContact CE2-CD1 4.33Å; Y162-Y197 AromaticContact CG-CD1 3.6Å; Y162-Y197 HydrophobicContact CG-CD1 3.6Å; Y162-Y197 AromaticContact CG-CE1 3.8Å; Y162-Y197 HydrophobicContact CG-CE1 3.8Å; V170-Y197 WeakPolarHBondContact CB-O 3.4Å; V170-Y197 PolarHBondContact N-O 3.08Å; W193-Y197 AromaticContact CD1-CD2 3.52Å; W193-Y197 AromaticContact CD1-CE2 3.63Å; W193-Y197 AromaticContact CD2-CD2 3.77Å; W193-Y197 HydrophobicContact CD2-CD2 3.77Å; W193-Y197 AromaticContact CE2-CD2 3.44Å; W193-Y197 VanDerWaalsContact CE2-CD2 3.44Å; W193-Y197 AromaticContact CG-CD2 3.79Å; W193-Y197 HydrophobicContact CG-CD2 3.79Å; W193-Y197 HydrophobicContact CG-CE2 4.29Å; W193-Y197 HydrophobicContact CZ2-CD2 4Å; W193-Y197 HydrophobicContact CZ2-CG 4.16Å; W193-Y197 AromaticContact NE1-CD2 3.3Å; W193-Y197 VanDerWaalsContact NE1-CD2 3.3Å; W193-Y197 AromaticContact NE1-CE2 3.51Å; W193-Y197 WeakPolarHBondContact O-CD2 3.43Å; W193-Y197 PolarHBondContact O-N 3.31Å; K194-Y197 PolarHBondContact O-N 3.02Å
198I97.8Very high97.5Very high13 Ų1336.8 Ų36.87%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-108.8116.8-177.5-57.3-62.9000110.4I158 L172 L186 W193 K194 I305I158-I198 HydrophobicContact CD1-CD1 4.14Å; I158-I198 HydrophobicContact CG2-CD1 4.1Å; L172-I198 HydrophobicContact CB-CD1 4.49Å; L186-I198 HydrophobicContact CD2-CD1 4.02Å; L186-I198 HydrophobicContact CD2-CG1 3.87Å; L186-I198 HydrophobicContact CD2-CG2 4.36Å; W193-I198 HydrophobicContact CE3-CG1 4.44Å; W193-I198 HydrophobicContact CH2-CD1 4.08Å; W193-I198 HydrophobicContact CH2-CG1 4.39Å; W193-I198 HydrophobicContact CZ3-CD1 3.82Å; W193-I198 HydrophobicContact CZ3-CG1 3.69Å; K194-I198 HydrophobicContact CB-CG1 4.5Å; K194-I198 HydrophobicContact CG-CG1 4.37Å; K194-I198 WeakPolarHBondContact O-CB 3.2Å; K194-I198 PolarHBondContact O-N 3.14Å; I198-I305 HydrophobicContact CG2-CD1 4.27Å; I198-I305 HydrophobicContact CG2-CG1 4.5Å; I198-I305 HydrophobicContact CG2-CG2 4.07Å
199K94.9Very high97.5Very high51 Ų5134 Ų3422%0.22217%0.17CC..EExtended strand (participates in β ladder)trans-76.4-44.8173.1175.363.6-170.2-169.70111.9Y26 S169 V170 V171Y26-K199 HydrophobicContact CD1-CB 4.41Å; Y26-K199 HydrophobicContact CD1-CD 3.88Å; Y26-K199 HydrophobicContact CD1-CG 4Å; Y26-K199 HydrophobicContact CD2-CD 4.01Å; Y26-K199 HydrophobicContact CD2-CG 3.82Å; Y26-K199 HydrophobicContact CE1-CD 3.72Å; Y26-K199 HydrophobicContact CE1-CG 4.35Å; Y26-K199 HydrophobicContact CE2-CD 3.82Å; Y26-K199 HydrophobicContact CE2-CG 4.13Å; Y26-K199 HydrophobicContact CG-CB 4.34Å; Y26-K199 HydrophobicContact CG-CD 4.04Å; Y26-K199 HydrophobicContact CG-CG 3.75Å; Y26-K199 PolarHBondContact OH-NZ 3.29Å; S169-K199 WeakPolarHBondContact O-CB 3.2Å; V170-K199 PolarHBondContact O-N 3.46Å; V171-K199 HydrophobicContact CG2-CB 3.99Å; V171-K199 HydrophobicContact CG2-CG 3.95Å
200T95.1Very high97.5Very high0 Ų032.9 Ų32.90%016%0.164CC..EExtended strand (participates in β ladder)trans-163.8168.2175.5-169.10000109.4V171 L172 V202 E307 Y309 I389V171-T200 HydrophobicContact CB-CG2 4.34Å; V171-T200 HydrophobicContact CG1-CG2 3.82Å; V171-T200 HydrophobicContact CG2-CG2 3.97Å; L172-T200 PolarHBondContact N-O 2.98Å; L172-T200 VanDerWaalsContact N-O 3.1Å; T200-V202 HydrophobicContact CG2-CG2 4.03Å; T200-E307 WeakPolarHBondContact CB-O 3.41Å; T200-E307 VanDerWaalsContact OG1-C 3.29Å; T200-E307 PolarHBondContact OG1-O 2.89Å; T200-Y309 HydrophobicContact CG2-CD2 4.22Å; T200-Y309 HydrophobicContact CG2-CE2 4.42Å; T200-Y309 WeakPolarHBondContact OG1-CD2 3.37Å; T200-I389 HydrophobicContact CG2-CD1 3.33Å
201F97.3Very high97.5Very high0 Ų025.5 Ų25.50%013%0.133CC..EExtended strand (participates in β ladder)trans-110.6127.9162.7176.8-126.3000109.8L172 A179 M183 L186 P302 I305 I308 Y309L172-F201 HydrophobicContact CB-CD2 4.33Å; L172-F201 HydrophobicContact CD2-CD2 4.36Å; L172-F201 HydrophobicContact CG-CD2 4.27Å; L172-F201 CarbonylContact O-C 3.15Å; L172-F201 WeakPolarHBondContact O-CA 3.3Å; L172-F201 WeakPolarHBondContact O-CD2 2.38Å; A179-F201 HydrophobicContact CB-CZ 4.31Å; A179-F201 WeakPolarHBondContact O-CZ 2.52Å; M183-F201 HydrophobicContact CG-CE1 3.7Å; M183-F201 HydrophobicContact CG-CZ 4.09Å; L186-F201 HydrophobicContact CD1-CB 3.64Å; L186-F201 HydrophobicContact CD1-CD1 4.04Å; L186-F201 HydrophobicContact CD1-CD2 3.68Å; L186-F201 HydrophobicContact CD1-CE2 4.38Å; L186-F201 HydrophobicContact CD1-CG 3.51Å; F201-P302 HydrophobicContact CD1-CG 4.45Å; F201-I305 HydrophobicContact CB-CD1 4.22Å; F201-I308 HydrophobicContact CB-CD1 4.49Å; F201-I308 HydrophobicContact CB-CG1 4.27Å; F201-I308 HydrophobicContact CB-CG2 4.3Å; F201-I308 HydrophobicContact CD1-CG2 3.89Å; F201-I308 WeakPolarHBondContact O-CA 3.35Å; F201-I308 WeakPolarHBondContact O-CG2 2.84Å; F201-Y309 PolarHBondContact O-N 3.37Å
202V96.4Very high97.5Very high0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-105.1108.3172.5-176.60000108.3V171 L172 L173 G174 T200 I311 I383V171-V202 HydrophobicContact CG1-CG2 3.83Å; L172-V202 PolarHBondContact O-N 2.77Å; L173-V202 WeakPolarHBondContact CA-O 3.11Å; L173-V202 HydrophobicContact CB-CB 4.23Å; L173-V202 HydrophobicContact CD1-CB 4.38Å; L173-V202 HydrophobicContact CD1-CG1 4.13Å; L173-V202 HydrophobicContact CG-CB 4.1Å; L173-V202 HydrophobicContact CG-CG1 4.14Å; G174-V202 PolarHBondContact N-O 2.67Å; T200-V202 HydrophobicContact CG2-CG2 4.03Å; V202-I311 HydrophobicContact CG1-CD1 4.01Å; V202-I383 HydrophobicContact CG2-CD1 4.09Å
203S97.2Very high97.4Very high0 Ų017.7 Ų17.70%09%0.088CC..EExtended strand (participates in β ladder)trans-93.999.1178-169.60000109A206 Y309 I311S203-A206 WeakPolarHBondContact OG-CB 2.12Å; S203-Y309 WeakPolarHBondContact CB-O 3.46Å; S203-Y309 PolarHBondContact N-O 3.11Å; S203-I311 PolarHBondContact O-N 3.05Å
204L97.3Very high97.4Very high0 Ų016.7 Ų16.70%09%0.085CC..EExtended strand (participates in β ladder)trans-100.2120.8-174.4-170.971.3000110.7L173 G174 H175 S176 A206 I311 I377 I378 L381L173-L204 HydrophobicContact CD2-CD2 4.37Å; G174-L204 PolarHBondContact O-N 2.8Å; H175-L204 CarbonylContact C-O 3.59Å; H175-L204 WeakPolarHBondContact CA-O 3.4Å; H175-L204 HydrophobicContact CB-CB 4.41Å; H175-L204 HydrophobicContact CB-CD2 4.25Å; H175-L204 PolarHBondContact CD2-O 3.39Å; H175-L204 VanDerWaalsContact CD2-O 3.29Å; S176-L204 PolarHBondContact N-O 3.19Å; L204-A206 PolarHBondContact O-N 2.96Å; L204-I311 CarbonylContact C-O 3.44Å; L204-I311 WeakPolarHBondContact CA-O 3.45Å; L204-I311 HydrophobicContact CD1-CB 3.97Å; L204-I311 HydrophobicContact CD1-CG2 3.97Å; L204-I377 HydrophobicContact CD1-CD1 3.87Å; L204-I377 HydrophobicContact CD1-CG1 4.08Å; L204-I377 HydrophobicContact CD1-CG2 4.41Å; L204-I377 HydrophobicContact CD2-CG2 4.11Å; L204-I377 HydrophobicContact CG-CD1 4.41Å; L204-I377 HydrophobicContact CG-CG2 3.99Å; L204-I378 HydrophobicContact CD2-CB 3.9Å; L204-I378 HydrophobicContact CD2-CG1 4.18Å; L204-L381 HydrophobicContact CD1-CD1 4.02Å; L204-L381 HydrophobicContact CD1-CD2 4.03Å; L204-L381 HydrophobicContact CD2-CD2 3.93Å
205S97.6Very high97.3Very high0 Ų016.7 Ų16.70%09%0.086CC..SBendtrans40.143.9-176.3-97.50000114P207 I311 G313 D347 H374S205-P207 WeakPolarHBondContact O-CD 2.12Å; S205-I311 PolarHBondContact N-O 2.65Å; S205-G313 PolarHBondContact OG-N 3.34Å; S205-D347 WeakPolarHBondContact CB-OD2 3.46Å; S205-D347 PolarHBondContact OG-OD2 2.88Å; S205-H374 PolarHBondContact O-CE1 2.91Å
206A98.3Very high97.3Very high3 Ų312.1 Ų12.13%0.0256%0.061CC..  trans-70124.2-17500000111.9A179 S203 L204 L208A179-A206 HydrophobicContact CB-CB 3.44Å; A179-A206 VanDerWaalsContact CB-CB 3.44Å; S203-A206 WeakPolarHBondContact OG-CB 2.12Å; L204-A206 PolarHBondContact O-N 2.96Å; A206-L208 HydrophobicContact CB-CD1 4.47Å; A206-L208 HydrophobicContact CB-CD2 3.8Å; A206-L208 HydrophobicContact CB-CG 3.78Å; A206-L208 PolarHBondContact O-N 3.18Å
207P98Very high97.2Very high3 Ų39.7 Ų9.72%0.0195%0.045CC..  trans-74.862.5171.430.5-33.9000110.9S176 K180 S205 G209 G210 L247 V350S176-P207 VanDerWaalsContact C-CD 3.5Å; S176-P207 WeakPolarHBondContact O-CD 3.31Å; K180-P207 HydrophobicContact CD-CG 4.26Å; S205-P207 WeakPolarHBondContact O-CD 2.12Å; P207-G209 VanDerWaalsContact C-N 3.33Å; P207-G209 PolarHBondContact O-N 3.35Å; P207-G210 PolarHBondContact O-N 3.27Å; P207-L247 HydrophobicContact CB-CD2 3.94Å; P207-L247 HydrophobicContact CG-CD2 3.3Å; P207-V350 HydrophobicContact CB-CG1 4.1Å; P207-V350 HydrophobicContact CB-CG2 3.85Å
208L98.5Very high97.2Very high2 Ų27.4 Ų7.41%0.014%0.036CC..THydrogen-bonded Turntrans-60.2-43.8-177.1-61.7173.3000110.9M183 A206 T298 V357 C358 W361M183-L208 HydrophobicContact CE-CD2 4.22Å; M183-L208 HydrophobicContact SD-CD2 3.37Å; M183-L208 WeakPolarHBondContact SD-CD2 2.11Å; A206-L208 HydrophobicContact CB-CD1 4.47Å; A206-L208 HydrophobicContact CB-CD2 3.8Å; A206-L208 HydrophobicContact CB-CG 3.78Å; A206-L208 PolarHBondContact O-N 3.18Å; L208-T298 HydrophobicContact CD2-CG2 4.36Å; L208-T298 VanDerWaalsContact O-CB 3.24Å; L208-T298 WeakPolarHBondContact O-CB 3.47Å; L208-T298 PolarHBondContact O-OG1 3.28Å; L208-V357 HydrophobicContact CB-CB 3.71Å; L208-V357 HydrophobicContact CB-CG1 3.93Å; L208-V357 HydrophobicContact CB-CG2 4.13Å; L208-V357 HydrophobicContact CD1-CB 3.96Å; L208-V357 HydrophobicContact CD1-CG1 4.22Å; L208-V357 HydrophobicContact CG-CB 4.49Å; L208-C358 HydrophobicContact CD1-CB 3.69Å; L208-W361 HydrophobicContact CD1-CH2 3.91Å; L208-W361 HydrophobicContact CD1-CZ2 3.78Å; L208-W361 HydrophobicContact CD2-CH2 3.9Å; L208-W361 HydrophobicContact CD2-CZ2 3.94Å; L208-W361 HydrophobicContact CG-CZ2 4.48Å
209G98Very high97.1Very high0 Ų06.8 Ų6.80%03%0.033CC..THydrogen-bonded Turntrans-88.89.7171.400000115.1P207 P249 D250 L253 W254 S354P207-G209 VanDerWaalsContact C-N 3.33Å; P207-G209 PolarHBondContact O-N 3.35Å; G209-P249 CarbonylContact O-C 3.59Å; G209-P249 VanDerWaalsContact O-CA 3.32Å; G209-P249 WeakPolarHBondContact O-CA 3.33Å; G209-D250 PolarHBondContact O-N 2.84Å; G209-L253 VanDerWaalsContact CA-CD1 3.46Å; G209-W254 WeakPolarHBondContact O-CZ3 3.4Å; G209-S354 WeakPolarHBondContact CA-OG 3.3Å; G209-S354 PolarHBondContact N-O 3.46Å; G209-S354 PolarHBondContact N-OG 2.89Å
210G97.9Very high97.2Very high0 Ų04.3 Ų4.30%02%0.022CC..  trans75.9-169.9-173.500000115.1P207 L247 L248 S354P207-G210 PolarHBondContact O-N 3.27Å; G210-L247 CarbonylContact C-O 3.46Å; G210-L247 WeakPolarHBondContact CA-O 3.39Å; G210-L248 WeakPolarHBondContact CA-O 3.28Å; G210-S354 PolarHBondContact N-OG 3.25Å; G210-S354 VanDerWaalsContact N-OG 3.11Å; G210-S354 WeakPolarHBondContact O-CB 3.26Å; G210-S354 PolarHBondContact O-OG 3.23Å
211S97.6Very high97.2Very high8 Ų84.3 Ų4.36%0.0562%0.022CC..  trans-143.3142178.3174.20000112.7K213 A214 L247 P249 T349S211-K213 PolarHBondContact O-N 3.23Å; S211-K213 WeakPolarHBondContact OG-CB 3.02Å; S211-K213 PolarHBondContact OG-N 3.11Å; S211-A214 WeakPolarHBondContact O-CB 3.45Å; S211-A214 PolarHBondContact O-N 2.98Å; S211-A214 VanDerWaalsContact O-N 3.11Å; S211-L247 PolarHBondContact N-O 3.16Å; S211-P249 WeakPolarHBondContact O-CD 3.46Å; S211-T349 WeakPolarHBondContact CB-O 3.33Å; S211-T349 PolarHBondContact OG-O 3Å
212V97.9Very high96.8Very high1 Ų14.9 Ų4.91%0.0063%0.025CC..Hα-helixtrans-69-18.8173.2-171.20000111.5A214 L215 K216 P249 L260 T319 D320 M322V212-A214 PolarHBondContact O-N 3.27Å; V212-L215 WeakPolarHBondContact O-CB 3.43Å; V212-L215 PolarHBondContact O-N 3Å; V212-L215 VanDerWaalsContact O-N 3.15Å; V212-K216 PolarHBondContact O-N 2.96Å; V212-P249 HydrophobicContact CG2-CG 4Å; V212-L260 HydrophobicContact CG2-CD2 3.89Å; V212-T319 HydrophobicContact CB-CG2 4.4Å; V212-T319 HydrophobicContact CG1-CG2 4.03Å; V212-D320 WeakPolarHBondContact CG2-O 3.24Å; V212-M322 HydrophobicContact CG1-CE 3.95Å
213K95.9Very high96.1Very high43 Ų435.7 Ų5.719%0.1873%0.03CC..Hα-helixtrans-61.9-31.4169.1-165.6-179.9-178.1-178.50111.7S211 K216 I217 D222 T349S211-K213 PolarHBondContact O-N 3.23Å; S211-K213 WeakPolarHBondContact OG-CB 3.02Å; S211-K213 PolarHBondContact OG-N 3.11Å; K213-K216 WeakPolarHBondContact O-CB 3.31Å; K213-K216 PolarHBondContact O-N 2.86Å; K213-I217 HydrophobicContact CG-CD1 4.44Å; K213-I217 WeakPolarHBondContact O-CD1 2.12Å; K213-I217 VanDerWaalsContact O-CG1 3.28Å; K213-I217 WeakPolarHBondContact O-CG1 2.11Å; K213-I217 PolarHBondContact O-N 3.35Å; K213-D222 VanDerWaalsContact CE-OD2 3.3Å; K213-D222 WeakPolarHBondContact CE-OD2 3.14Å; K213-D222 IonicContact NZ-OD2 3.81Å; K213-T349 HydrophobicContact CD-CG2 4.05Å
214A97.2Very high94.9Very high5 Ų57.7 Ų7.74%0.0414%0.039CC..Hα-helixtrans-65.6-41172.800000111.9S211 V212 K216 I217 E218 L247 L248S211-A214 WeakPolarHBondContact O-CB 3.45Å; S211-A214 PolarHBondContact O-N 2.98Å; S211-A214 VanDerWaalsContact O-N 3.11Å; V212-A214 PolarHBondContact O-N 3.27Å; A214-K216 VanDerWaalsContact C-N 3.31Å; A214-K216 PolarHBondContact O-N 3.49Å; A214-I217 WeakPolarHBondContact O-CB 3.43Å; A214-I217 PolarHBondContact O-N 2.9Å; A214-I217 VanDerWaalsContact O-N 3.16Å; A214-E218 WeakPolarHBondContact O-CG 2.12Å; A214-E218 PolarHBondContact O-N 3.1Å; A214-L247 HydrophobicContact CB-CB 4.23Å; A214-L248 HydrophobicContact CB-CD2 3.86Å; A214-L248 HydrophobicContact CB-CG 4.38Å
215L97.8Very high93.2Very high3 Ų38.3 Ų8.32%0.0165%0.045CC..Hα-helixtrans-62.5-37.4172.6-77.2168000112.2V212 I217 E218 A219 L248 P249 L260 I261 Y273 F276 M322V212-L215 WeakPolarHBondContact O-CB 3.43Å; V212-L215 PolarHBondContact O-N 3Å; V212-L215 VanDerWaalsContact O-N 3.15Å; L215-I217 VanDerWaalsContact C-N 3.33Å; L215-E218 PolarHBondContact O-N 3.4Å; L215-A219 WeakPolarHBondContact O-CB 3.33Å; L215-A219 PolarHBondContact O-N 3.27Å; L215-L248 HydrophobicContact CB-CD2 4.34Å; L215-L248 HydrophobicContact CD2-CD2 3.63Å; L215-L248 HydrophobicContact CG-CD2 3.66Å; L215-P249 HydrophobicContact CD1-CG 3.98Å; L215-L260 HydrophobicContact CD1-CB 3.95Å; L215-L260 HydrophobicContact CD1-CD1 3.67Å; L215-L260 HydrophobicContact CD1-CG 4.46Å; L215-I261 HydrophobicContact CB-CD1 4.37Å; L215-I261 HydrophobicContact CD2-CD1 4.26Å; L215-Y273 HydrophobicContact CD1-CE1 4.27Å; L215-Y273 HydrophobicContact CD2-CD1 4.25Å; L215-Y273 HydrophobicContact CD2-CE1 3.86Å; L215-F276 HydrophobicContact CD2-CD1 4.02Å; L215-F276 HydrophobicContact CD2-CE1 3.7Å; L215-F276 HydrophobicContact CD2-CZ 3.97Å; L215-M322 HydrophobicContact CB-CE 3.47Å; L215-M322 VanDerWaalsContact CB-CE 3.47Å
216K96.6Very high91.5Very high9 Ų99 Ų94%0.0395%0.049CC..Hα-helixtrans-60.8-44.1173.2-176.8-172.8172.2-74.50111.1V212 K213 A214 A219 S220 G221 D222 M322 L341V212-K216 PolarHBondContact O-N 2.96Å; K213-K216 WeakPolarHBondContact O-CB 3.31Å; K213-K216 PolarHBondContact O-N 2.86Å; A214-K216 VanDerWaalsContact C-N 3.31Å; A214-K216 PolarHBondContact O-N 3.49Å; K216-A219 PolarHBondContact O-N 3.48Å; K216-S220 CarbonylContact O-C 3.57Å; K216-S220 WeakPolarHBondContact O-CA 3.49Å; K216-S220 PolarHBondContact O-N 2.92Å; K216-G221 PolarHBondContact NZ-O 3.05Å; K216-G221 PolarHBondContact O-N 3.4Å; K216-G221 VanDerWaalsContact O-N 3.09Å; K216-D222 IonicContact NZ-OD1 3.67Å; K216-D222 PolarHBondContact NZ-OD1 2.9Å; K216-M322 WeakPolarHBondContact CA-SD 3.44Å; K216-M322 HydrophobicContact CB-CE 4.15Å; K216-M322 HydrophobicContact CB-SD 3.47Å; K216-M322 WeakPolarHBondContact CB-SD 3.46Å; K216-M322 HydrophobicContact CG-SD 3.95Å; K216-M322 VanDerWaalsContact N-CE 3.31Å; K216-L341 HydrophobicContact CD-CD1 4.21Å; K216-L341 HydrophobicContact CD-CD2 3.9Å; K216-L341 HydrophobicContact CG-CD2 4.49Å
217I96.3Very high89.6Confident14 Ų1415.9 Ų15.97%0.0728%0.078CC..Hα-helixtrans-61.8-49.3177.8-69.7160.3000110.8K213 A214 L215 A219 G221 D222 Q238 L244K213-I217 HydrophobicContact CG-CD1 4.44Å; K213-I217 WeakPolarHBondContact O-CD1 2.12Å; K213-I217 VanDerWaalsContact O-CG1 3.28Å; K213-I217 WeakPolarHBondContact O-CG1 2.11Å; K213-I217 PolarHBondContact O-N 3.35Å; A214-I217 WeakPolarHBondContact O-CB 3.43Å; A214-I217 PolarHBondContact O-N 2.9Å; A214-I217 VanDerWaalsContact O-N 3.16Å; L215-I217 VanDerWaalsContact C-N 3.33Å; I217-A219 PolarHBondContact O-N 2.71Å; I217-G221 VanDerWaalsContact O-CA 3.23Å; I217-G221 WeakPolarHBondContact O-CA 3.45Å; I217-G221 PolarHBondContact O-N 2.9Å; I217-D222 HydrophobicContact CD1-CB 4.34Å; I217-D222 HydrophobicContact CG1-CB 3.61Å; I217-Q238 HydrophobicContact CG2-CB 3.44Å; I217-Q238 VanDerWaalsContact CG2-CB 3.44Å; I217-Q238 HydrophobicContact CG2-CG 4.04Å; I217-L244 HydrophobicContact CD1-CD1 4.48Å; I217-L244 HydrophobicContact CG2-CD1 3.73Å
218E97.4Very high88.2Confident0 Ų020.5 Ų20.50%010%0.102CC..Hα-helixtrans-62.2-40.5178.9-67.5-62.9171.900112.8A214 L215 R239 L248 F276 F277A214-E218 WeakPolarHBondContact O-CG 2.12Å; A214-E218 PolarHBondContact O-N 3.1Å; L215-E218 PolarHBondContact O-N 3.4Å; E218-R239 PolarHBondContact O-NE 2.96Å; E218-R239 PolarHBondContact O-NH2 2.79Å; E218-L248 HydrophobicContact CG-CD2 4.18Å; E218-F276 HydrophobicContact CB-CE1 3.87Å; E218-F276 HydrophobicContact CB-CZ 3.89Å; E218-F277 HydrophobicContact CB-CE1 4.04Å; E218-F277 HydrophobicContact CB-CZ 4.39Å; E218-F277 HydrophobicContact CG-CE1 3.84Å; E218-F277 HydrophobicContact CG-CZ 3.84Å; E218-F277 WeakPolarHBondContact OE2-CE1 3.35Å
219A97.1Very high87.2Confident0 Ų026.3 Ų26.30%012%0.124CC..Hα-helixtrans-77.1-53.418000000112.8L215 K216 I217 R235 F276 Y324 F334 P335L215-A219 WeakPolarHBondContact O-CB 3.33Å; L215-A219 PolarHBondContact O-N 3.27Å; K216-A219 PolarHBondContact O-N 3.48Å; I217-A219 PolarHBondContact O-N 2.71Å; A219-R235 WeakPolarHBondContact O-CD 3.21Å; A219-R235 PolarHBondContact O-NH1 2.76Å; A219-F276 HydrophobicContact CB-CE2 3.99Å; A219-F276 HydrophobicContact CB-CZ 4.04Å; A219-Y324 WeakPolarHBondContact CB-OH 3.24Å; A219-F334 HydrophobicContact CB-CE2 4.33Å; A219-P335 WeakPolarHBondContact O-CB 3.23Å
220S95.8Very high86.7Confident0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-127.7-2.6-163.9-61.10000114.3K216 P231 L232 Y324 P335 Q337K216-S220 CarbonylContact O-C 3.57Å; K216-S220 WeakPolarHBondContact O-CA 3.49Å; K216-S220 PolarHBondContact O-N 2.92Å; S220-P231 CarbonylContact O-C 3.57Å; S220-P231 WeakPolarHBondContact O-CB 3.22Å; S220-L232 WeakPolarHBondContact O-CA 3.32Å; S220-L232 PolarHBondContact O-N 3.31Å; S220-L232 VanDerWaalsContact O-N 3.11Å; S220-Y324 WeakPolarHBondContact OG-CE1 3.39Å; S220-Y324 PolarHBondContact OG-OH 2.97Å; S220-P335 PolarHBondContact OG-O 3.46Å; S220-Q337 WeakPolarHBondContact CB-O 3.27Å; S220-Q337 PolarHBondContact OG-O 3.15Å
221G94.6Very high86.3Confident0 Ų029.7 Ų29.70%015%0.147CC..  trans72.8178-171.700000114K216 I217 P231 Q238K216-G221 PolarHBondContact NZ-O 3.05Å; K216-G221 PolarHBondContact O-N 3.4Å; K216-G221 VanDerWaalsContact O-N 3.09Å; I217-G221 VanDerWaalsContact O-CA 3.23Å; I217-G221 WeakPolarHBondContact O-CA 3.45Å; I217-G221 PolarHBondContact O-N 2.9Å; G221-P231 WeakPolarHBondContact O-CB 3.33Å; G221-Q238 VanDerWaalsContact CA-OE1 3.25Å
222D89.9Confident86.1Confident11 Ų1131.4 Ų31.46%0.05916%0.156CC..  trans-137134.7172.4-157.672.1000110.4K213 K216 I217 F224 F234 Q238K213-D222 VanDerWaalsContact CE-OD2 3.3Å; K213-D222 WeakPolarHBondContact CE-OD2 3.14Å; K213-D222 IonicContact NZ-OD2 3.81Å; K216-D222 IonicContact NZ-OD1 3.67Å; K216-D222 PolarHBondContact NZ-OD1 2.9Å; I217-D222 HydrophobicContact CD1-CB 4.34Å; I217-D222 HydrophobicContact CG1-CB 3.61Å; D222-F224 VanDerWaalsContact C-N 3.28Å; D222-F224 WeakPolarHBondContact OD2-CA 3.32Å; D222-F224 PolarHBondContact OD2-N 2.85Å; D222-F234 WeakPolarHBondContact O-CB 3.33Å; D222-Q238 PolarHBondContact O-NE2 3.42Å
223N81.1Confident85.9Confident17 Ų1733.3 Ų33.39%0.09117%0.169CC..  trans-91.111175.862.8-27000112.3G225 V226 P231 F234N223-G225 PolarHBondContact O-N 3.24Å; N223-G225 VanDerWaalsContact O-N 3.15Å; N223-G225 PolarHBondContact OD1-N 3.26Å; N223-V226 PolarHBondContact ND2-O 3.02Å; N223-V226 WeakPolarHBondContact O-CB 3.03Å; N223-V226 PolarHBondContact O-N 2.74Å; N223-P231 HydrophobicContact CB-CG 4.12Å; N223-F234 HydrophobicContact CB-CD2 4.12Å; N223-F234 HydrophobicContact CB-CE2 3.93Å
224F71.4Confident85.7Confident43 Ų4331.3 Ų31.319%0.18916%0.161CC..THydrogen-bonded Turntrans5331.7-174.1-46.9-88.2000112.9W54 F60 D222 F234 Q238 W411W54-F224 HydrophobicContact CH2-CD1 4.33Å; W54-F224 AromaticContact CH2-CE1 3.77Å; W54-F224 HydrophobicContact CH2-CE1 3.77Å; W54-F224 AromaticContact CH2-CE2 3.98Å; W54-F224 HydrophobicContact CH2-CE2 3.98Å; W54-F224 AromaticContact CH2-CZ 3.56Å; W54-F224 HydrophobicContact CH2-CZ 3.56Å; W54-F224 HydrophobicContact CZ3-CE2 4.24Å; W54-F224 HydrophobicContact CZ3-CZ 4.05Å; F60-F224 HydrophobicContact CE1-CB 4.12Å; F60-F224 AromaticContact CE1-CD2 3.67Å; F60-F224 HydrophobicContact CE1-CD2 3.67Å; F60-F224 HydrophobicContact CE1-CG 4.24Å; F60-F224 AromaticContact CZ-CD2 3.95Å; F60-F224 HydrophobicContact CZ-CD2 3.95Å; F60-F224 HydrophobicContact CZ-CG 4.47Å; D222-F224 VanDerWaalsContact C-N 3.28Å; D222-F224 WeakPolarHBondContact OD2-CA 3.32Å; D222-F224 PolarHBondContact OD2-N 2.85Å; F224-F234 HydrophobicContact CE2-CD1 4.36Å; F224-Q238 VanDerWaalsContact CZ-NE2 3.29Å; F224-W411 HydrophobicContact CB-CZ3 4.21Å; F224-W411 VanDerWaalsContact O-CZ3 3.25Å; F224-W411 WeakPolarHBondContact O-CZ3 3.46Å
225G63.2Low85.6Confident13 Ų1333 Ų3313%0.13417%0.166CC..THydrogen-bonded Turntrans70.825.2-176.600000114.7N223 F227 F410N223-G225 PolarHBondContact O-N 3.24Å; N223-G225 VanDerWaalsContact O-N 3.15Å; N223-G225 PolarHBondContact OD1-N 3.26Å; G225-F227 WeakPolarHBondContact O-CD2 3.23Å; G225-F227 WeakPolarHBondContact O-CE2 3.11Å; G225-F410 CarbonylContact O-C 3.14Å
226V61.1Low85.5Confident13 Ų1336 Ų368%0.07919%0.186CC..  trans-102.8107177.9-177.50000111.7F60 N223 L228 F410F60-V226 HydrophobicContact CD1-CB 4.07Å; F60-V226 HydrophobicContact CD1-CG1 4.28Å; F60-V226 HydrophobicContact CD1-CG2 3.74Å; F60-V226 HydrophobicContact CE1-CG2 3.82Å; N223-V226 PolarHBondContact ND2-O 3.02Å; N223-V226 WeakPolarHBondContact O-CB 3.03Å; N223-V226 PolarHBondContact O-N 2.74Å; V226-L228 HydrophobicContact CG1-CB 4.06Å; V226-L228 HydrophobicContact CG1-CD1 4.04Å; V226-L228 HydrophobicContact CG1-CG 3.98Å; V226-L228 PolarHBondContact O-N 3.13Å; V226-F410 HydrophobicContact CG1-CD1 4.37Å; V226-F410 HydrophobicContact CG1-CE1 4.43Å
227F59.3Low85.5Confident148 Ų14835.8 Ų35.865%0.64919%0.185SC*.THydrogen-bonded Turntrans-74.432.6-176.8-69.4-97.5000114.7G225 V413G225-F227 WeakPolarHBondContact O-CD2 3.23Å; G225-F227 WeakPolarHBondContact O-CE2 3.11Å; F227-V413 HydrophobicContact CB-CB 3.74Å; F227-V413 HydrophobicContact CB-CG1 3.76Å; F227-V413 HydrophobicContact CD1-CB 4.19Å; F227-V413 HydrophobicContact CD1-CG1 3.97Å; F227-V413 WeakPolarHBondContact CD1-O 3.36Å; F227-V413 WeakPolarHBondContact CD1-OXT 3.27Å; F227-V413 HydrophobicContact CD2-CB 3.03Å; F227-V413 HydrophobicContact CD2-CG1 4.07Å; F227-V413 HydrophobicContact CD2-CG2 4.2Å; F227-V413 WeakPolarHBondContact CD2-O 3.39Å; F227-V413 WeakPolarHBondContact CE1-O 3.41Å; F227-V413 WeakPolarHBondContact CE1-OXT 3.24Å; F227-V413 HydrophobicContact CE2-CB 4.03Å; F227-V413 WeakPolarHBondContact CE2-O 3.36Å; F227-V413 WeakPolarHBondContact CE2-OXT 3.43Å; F227-V413 HydrophobicContact CG-CB 3.11Å; F227-V413 HydrophobicContact CG-CG1 3.36Å; F227-V413 WeakPolarHBondContact CG-O 3.44Å; F227-V413 WeakPolarHBondContact CG-OXT 3.37Å; F227-V413 VanDerWaalsContact CZ-CA 3.48Å; F227-V413 WeakPolarHBondContact CZ-O 3.45Å; F227-V413 WeakPolarHBondContact CZ-OXT 3.34Å
228L68.1Low85.5Confident100 Ų10035.4 Ų35.452%0.52418%0.183SC..THydrogen-bonded Turntrans-109.2-19.6175.8-60.2177000113.2L61 V226 F410L61-L228 HydrophobicContact CD2-CD1 4.12Å; V226-L228 HydrophobicContact CG1-CB 4.06Å; V226-L228 HydrophobicContact CG1-CD1 4.04Å; V226-L228 HydrophobicContact CG1-CG 3.98Å; V226-L228 PolarHBondContact O-N 3.13Å; L228-F410 HydrophobicContact CD1-CE1 4.26Å
229R78Confident85.4Confident125 Ų12536.5 Ų36.547%0.47219%0.187SC..SBendtrans-144147.5-179.6-73.1-58.4-169-162.63111.4F60 L61 F234F60-R229 WeakPolarHBondContact O-CG 3.22Å; L61-R229 PolarHBondContact O-NE 2.94Å; L61-R229 VanDerWaalsContact O-NE 3.1Å; L61-R229 PolarHBondContact O-NH2 3.25Å; R229-F234 HydrophobicContact CB-CE2 3.81Å; R229-F234 HydrophobicContact CB-CZ 4.32Å
230S87.1Confident85.4Confident58 Ų5837.5 Ų37.541%0.40619%0.193SC..  trans-64.7137.3172.2176.80000110.7L232 S233S230-L232 PolarHBondContact O-N 3.1Å; S230-L232 VanDerWaalsContact O-N 3.08Å; S230-L232 PolarHBondContact OG-N 3.45Å; S230-S233 WeakPolarHBondContact O-CB 3.39Å; S230-S233 PolarHBondContact O-N 2.79Å; S230-S233 PolarHBondContact O-OG 3.41Å
231P89.9Confident85.5Confident12 Ų1238 Ų388%0.07820%0.196CC..G310 helixtrans-47.1-35.5171.1-29.435.3000113.8S220 G221 N223 S233 F234 R235 V338S220-P231 CarbonylContact O-C 3.57Å; S220-P231 WeakPolarHBondContact O-CB 3.22Å; G221-P231 WeakPolarHBondContact O-CB 3.33Å; N223-P231 HydrophobicContact CB-CG 4.12Å; P231-S233 PolarHBondContact O-N 3.05Å; P231-S233 VanDerWaalsContact O-N 3.08Å; P231-F234 PolarHBondContact O-N 3.26Å; P231-R235 PolarHBondContact O-N 3.39Å; P231-V338 HydrophobicContact CB-CG2 4.49Å; P231-V338 HydrophobicContact CG-CG2 3.98Å
232L93Very high85.7Confident45 Ų4538 Ų3824%0.23620%0.196CC..G310 helixtrans-59.2-23179.4-69.3168000113.7S220 S230 P236S220-L232 WeakPolarHBondContact O-CA 3.32Å; S220-L232 PolarHBondContact O-N 3.31Å; S220-L232 VanDerWaalsContact O-N 3.11Å; S230-L232 PolarHBondContact O-N 3.1Å; S230-L232 VanDerWaalsContact O-N 3.08Å; S230-L232 PolarHBondContact OG-N 3.45Å; L232-P236 WeakPolarHBondContact O-CD 3.25Å
233S92.3Very high86.1Confident41 Ų4137.5 Ų37.529%0.28719%0.193SC..G310 helixtrans-79.6-19.9176.9660000114.2S230 P231 P236S230-S233 WeakPolarHBondContact O-CB 3.39Å; S230-S233 PolarHBondContact O-N 2.79Å; S230-S233 PolarHBondContact O-OG 3.41Å; P231-S233 PolarHBondContact O-N 3.05Å; P231-S233 VanDerWaalsContact O-N 3.08Å; S233-P236 WeakPolarHBondContact O-CD 3.43Å
234F93.1Very high86.8Confident1 Ų137 Ų370%0.00419%0.191CC..THydrogen-bonded Turntrans-92.5-22.8173.1-62.6-84.5000112.5F60 P63 L66 D222 N223 F224 R229 P231 P236 V237 Q238F60-F234 HydrophobicContact CB-CZ 4.37Å; F60-F234 HydrophobicContact CD1-CE1 4.32Å; F60-F234 AromaticContact CD1-CZ 3.98Å; F60-F234 HydrophobicContact CD1-CZ 3.98Å; F60-F234 HydrophobicContact CG-CZ 4.36Å; P63-F234 HydrophobicContact CB-CD1 3.86Å; P63-F234 HydrophobicContact CB-CE1 3.84Å; P63-F234 HydrophobicContact CB-CG 4.41Å; P63-F234 HydrophobicContact CB-CZ 4.37Å; L66-F234 HydrophobicContact CD2-CD1 4.39Å; D222-F234 WeakPolarHBondContact O-CB 3.33Å; N223-F234 HydrophobicContact CB-CD2 4.12Å; N223-F234 HydrophobicContact CB-CE2 3.93Å; F224-F234 HydrophobicContact CE2-CD1 4.36Å; R229-F234 HydrophobicContact CB-CE2 3.81Å; R229-F234 HydrophobicContact CB-CZ 4.32Å; P231-F234 PolarHBondContact O-N 3.26Å; F234-P236 VanDerWaalsContact C-N 3.29Å; F234-P236 VanDerWaalsContact O-N 3.14Å; F234-V237 WeakPolarHBondContact O-CG1 3.45Å; F234-V237 PolarHBondContact O-N 3.37Å; F234-Q238 HydrophobicContact CB-CG 4.4Å; F234-Q238 WeakPolarHBondContact O-CG 3.37Å; F234-Q238 PolarHBondContact O-N 2.79Å; F234-Q238 PolarHBondContact O-OE1 3.27Å
235R95.3Very high88.1Confident39 Ų3935 Ų3515%0.14718%0.182CC..Hα-helixtrans-46.4-40.9175.7-168.5-179.666.7-178.4-1.4114.5A219 P231 V237 Q238 R239 D336A219-R235 WeakPolarHBondContact O-CD 3.21Å; A219-R235 PolarHBondContact O-NH1 2.76Å; P231-R235 PolarHBondContact O-N 3.39Å; R235-V237 PolarHBondContact O-N 2.92Å; R235-Q238 PolarHBondContact O-N 2.88Å; R235-R239 HydrophobicContact CG-CG 4.01Å; R235-R239 WeakPolarHBondContact O-CB 3.24Å; R235-R239 WeakPolarHBondContact O-CG 3.38Å; R235-R239 PolarHBondContact O-N 2.96Å; R235-D336 IonicContact CZ-OD1 3.17Å; R235-D336 IonicContact NH1-OD1 2.69Å; R235-D336 PolarHBondContact NH1-OD1 2.77Å; R235-D336 IonicContact NH2-OD1 2.68Å; R235-D336 PolarHBondContact NH2-OD1 3.33Å
236P95.8Very high89.7Confident68 Ų6834.4 Ų34.444%0.44218%0.175SC..Hα-helixtrans-61.5-39179.5-24.635.8000113.8N67 L232 S233 F234 T240N67-P236 PolarHBondContact OD1-O 3.33Å; L232-P236 WeakPolarHBondContact O-CD 3.25Å; S233-P236 WeakPolarHBondContact O-CD 3.43Å; F234-P236 VanDerWaalsContact C-N 3.29Å; F234-P236 VanDerWaalsContact O-N 3.14Å; P236-T240 WeakPolarHBondContact O-CG2 3.29Å
237V95.2Very high91.5Very high4 Ų434.4 Ų34.42%0.02418%0.175CC..Hα-helixtrans-79.7-42.2176.458.20000111.2L66 N67 F70 F234 R235 R239 T240 L241L66-V237 HydrophobicContact CD2-CG1 4.28Å; L66-V237 HydrophobicContact CG-CG1 4.41Å; N67-V237 HydrophobicContact CB-CB 3.91Å; N67-V237 WeakPolarHBondContact OD1-CA 3.24Å; N67-V237 WeakPolarHBondContact OD1-CB 3.46Å; N67-V237 PolarHBondContact OD1-N 3.24Å; F70-V237 HydrophobicContact CD1-CG2 4.22Å; F234-V237 WeakPolarHBondContact O-CG1 3.45Å; F234-V237 PolarHBondContact O-N 3.37Å; R235-V237 PolarHBondContact O-N 2.92Å; V237-R239 PolarHBondContact O-N 3.22Å; V237-T240 WeakPolarHBondContact O-CB 3.42Å; V237-T240 PolarHBondContact O-N 3.1Å; V237-T240 PolarHBondContact O-OG1 2.98Å; V237-L241 WeakPolarHBondContact O-CG 3.31Å
238Q95.9Very high93.3Very high6 Ų627.4 Ų27.43%0.02814%0.144CC..Hα-helixtrans-63.8-41.3-177.2-72.8165.3-29.200113I217 G221 D222 F224 F234 R235 T240 L241 L244I217-Q238 HydrophobicContact CG2-CB 3.44Å; I217-Q238 VanDerWaalsContact CG2-CB 3.44Å; I217-Q238 HydrophobicContact CG2-CG 4.04Å; G221-Q238 VanDerWaalsContact CA-OE1 3.25Å; D222-Q238 PolarHBondContact O-NE2 3.42Å; F224-Q238 VanDerWaalsContact CZ-NE2 3.29Å; F234-Q238 HydrophobicContact CB-CG 4.4Å; F234-Q238 WeakPolarHBondContact O-CG 3.37Å; F234-Q238 PolarHBondContact O-N 2.79Å; F234-Q238 PolarHBondContact O-OE1 3.27Å; R235-Q238 PolarHBondContact O-N 2.88Å; Q238-T240 PolarHBondContact O-N 3.37Å; Q238-T240 VanDerWaalsContact O-N 3.08Å; Q238-L241 WeakPolarHBondContact O-CG 3.45Å; Q238-L241 PolarHBondContact O-N 3.14Å; Q238-L244 HydrophobicContact CB-CD1 4.03Å; Q238-L244 HydrophobicContact CG-CD1 4.42Å
239R96.7Very high94.8Very high23 Ų2322.6 Ų22.69%0.08712%0.119CC..THydrogen-bonded Turntrans-56.6-23.4173.6-81.9-176.6173.5-168.9-5113.6E218 R235 V237 L241 V280 Y282E218-R239 PolarHBondContact O-NE 2.96Å; E218-R239 PolarHBondContact O-NH2 2.79Å; R235-R239 HydrophobicContact CG-CG 4.01Å; R235-R239 WeakPolarHBondContact O-CB 3.24Å; R235-R239 WeakPolarHBondContact O-CG 3.38Å; R235-R239 PolarHBondContact O-N 2.96Å; V237-R239 PolarHBondContact O-N 3.22Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 2.76Å; R239-V280 PolarHBondContact NH1-O 3.33Å; R239-V280 VanDerWaalsContact NH1-O 3.09Å; R239-V280 PolarHBondContact NH2-O 3.13Å; R239-V280 VanDerWaalsContact NH2-O 3.12Å; R239-Y282 HydrophobicContact CB-CD1 4.11Å; R239-Y282 HydrophobicContact CB-CE1 3.72Å; R239-Y282 HydrophobicContact CB-CE2 4.34Å; R239-Y282 HydrophobicContact CG-CD1 4.07Å; R239-Y282 HydrophobicContact CG-CE1 4.2Å; R239-Y282 HydrophobicContact CG-CG 4.44Å; R239-Y282 VanDerWaalsContact O-CE1 3.25Å; R239-Y282 WeakPolarHBondContact O-CE1 3.31Å; R239-Y282 PolarHBondContact O-OH 2.89Å; R239-Y282 VanDerWaalsContact O-OH 3.06Å
240T97.4Very high95.7Very high20 Ų2017.5 Ų17.512%0.12310%0.101CC..THydrogen-bonded Turntrans-79-5.6178.970.30000114.3G71 L72 P236 V237 Q238 P242G71-T240 WeakPolarHBondContact CA-OG1 3.29Å; L72-T240 WeakPolarHBondContact CB-O 3.21Å; L72-T240 PolarHBondContact N-OG1 2.76Å; L72-T240 VanDerWaalsContact O-CB 3.26Å; L72-T240 WeakPolarHBondContact O-CB 3.26Å; L72-T240 WeakPolarHBondContact O-CG2 3.37Å; P236-T240 WeakPolarHBondContact O-CG2 3.29Å; V237-T240 WeakPolarHBondContact O-CB 3.42Å; V237-T240 PolarHBondContact O-N 3.1Å; V237-T240 PolarHBondContact O-OG1 2.98Å; Q238-T240 PolarHBondContact O-N 3.37Å; Q238-T240 VanDerWaalsContact O-N 3.08Å; T240-P242 VanDerWaalsContact O-CD 3.27Å; T240-P242 WeakPolarHBondContact O-CD 3.28Å
241L97.4Very high96.2Very high12 Ų1216.8 Ų16.86%0.06310%0.096CC..  trans-102.6102.1-169-44.1-173.4000110.8F70 L72 R141 V237 Q238 R239 S243 L244F70-L241 HydrophobicContact CE1-CD1 4.32Å; L72-L241 HydrophobicContact CD1-CD2 4.46Å; R141-L241 HydrophobicContact CB-CB 4.34Å; R141-L241 HydrophobicContact CB-CD2 3.77Å; R141-L241 HydrophobicContact CB-CG 4.4Å; R141-L241 HydrophobicContact CG-CD1 4.5Å; R141-L241 HydrophobicContact CG-CD2 3.91Å; R141-L241 CarbonylContact O-C 3.56Å; R141-L241 WeakPolarHBondContact O-CA 3.46Å; R141-L241 WeakPolarHBondContact O-CB 3.41Å; V237-L241 WeakPolarHBondContact O-CG 3.31Å; Q238-L241 WeakPolarHBondContact O-CG 3.45Å; Q238-L241 PolarHBondContact O-N 3.14Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 2.76Å; L241-S243 PolarHBondContact O-N 3.06Å; L241-L244 HydrophobicContact CB-CD1 4.13Å; L241-L244 HydrophobicContact CB-CG 4.12Å; L241-L244 HydrophobicContact CD1-CD1 4.19Å; L241-L244 HydrophobicContact CG-CD1 4.48Å; L241-L244 PolarHBondContact O-N 2.72Å
242P97.9Very high96.5Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-60.3-18.6-177.2-25.435.7000114.7S81 R141 A143 E146 T240 L244 A245 F246 M288S81-P242 VanDerWaalsContact OG-CG 3.3Å; S81-P242 WeakPolarHBondContact OG-CG 3.27Å; R141-P242 WeakPolarHBondContact O-CD 3.45Å; A143-P242 HydrophobicContact CB-CB 4.24Å; E146-P242 VanDerWaalsContact OE2-CB 3.28Å; E146-P242 WeakPolarHBondContact OE2-CB 3.26Å; E146-P242 VanDerWaalsContact OE2-CG 3.28Å; E146-P242 WeakPolarHBondContact OE2-CG 3.41Å; T240-P242 VanDerWaalsContact O-CD 3.27Å; T240-P242 WeakPolarHBondContact O-CD 3.28Å; P242-L244 PolarHBondContact O-N 2.68Å; P242-A245 PolarHBondContact O-N 2.99Å; P242-F246 WeakPolarHBondContact O-CB 3.37Å; P242-F246 PolarHBondContact O-N 3.16Å; P242-M288 HydrophobicContact CB-CB 4.16Å; P242-M288 HydrophobicContact CB-CG 4.27Å; P242-M288 HydrophobicContact CG-CE 4.18Å; P242-M288 HydrophobicContact CG-CG 4.08Å; P242-M288 HydrophobicContact CG-SD 4.13Å
243S97.9Very high96.7Very high0 Ų020.5 Ų20.50%011%0.107CC..Hα-helixtrans-58.7-33171.361.10000112.9F140 R141 K142 L241 F246 L247F140-S243 WeakPolarHBondContact O-CB 3.22Å; F140-S243 PolarHBondContact O-OG 2.95Å; R141-S243 PolarHBondContact O-N 3.04Å; R141-S243 PolarHBondContact O-OG 2.84Å; K142-S243 WeakPolarHBondContact O-CB 3.31Å; L241-S243 PolarHBondContact O-N 3.06Å; S243-F246 WeakPolarHBondContact O-CB 3.34Å; S243-F246 PolarHBondContact O-N 2.84Å; S243-L247 WeakPolarHBondContact O-CB 3.4Å; S243-L247 WeakPolarHBondContact O-CD1 3.49Å; S243-L247 WeakPolarHBondContact O-CG 3.41Å; S243-L247 PolarHBondContact O-N 2.72Å; S243-L247 VanDerWaalsContact O-N 3.11Å
244L97.4Very high96.9Very high6 Ų618.8 Ų18.83%0.0319%0.094CC..Hα-helixtrans-77-41.3-178.3-56-175.7000111D34 I217 Q238 L241 P242 F246 L247 L248D34-L244 VanDerWaalsContact OD2-CD2 3.27Å; D34-L244 WeakPolarHBondContact OD2-CD2 3.47Å; I217-L244 HydrophobicContact CD1-CD1 4.48Å; I217-L244 HydrophobicContact CG2-CD1 3.73Å; Q238-L244 HydrophobicContact CB-CD1 4.03Å; Q238-L244 HydrophobicContact CG-CD1 4.42Å; L241-L244 HydrophobicContact CB-CD1 4.13Å; L241-L244 HydrophobicContact CB-CG 4.12Å; L241-L244 HydrophobicContact CD1-CD1 4.19Å; L241-L244 HydrophobicContact CG-CD1 4.48Å; L241-L244 PolarHBondContact O-N 2.72Å; P242-L244 PolarHBondContact O-N 2.68Å; L244-F246 VanDerWaalsContact C-N 3.31Å; L244-F246 PolarHBondContact O-N 3.13Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 CarbonylContact O-C 3.56Å; L244-L247 WeakPolarHBondContact O-CA 3.3Å; L244-L247 WeakPolarHBondContact O-CB 3.43Å; L244-L247 PolarHBondContact O-N 2.93Å; L244-L248 PolarHBondContact O-N 3.29Å
245A97.4Very high97.1Very high0 Ų021 Ų210%011%0.11CC..Hα-helixtrans-59.3-4016900000112.2P242 L247 L248 M288 M289P242-A245 PolarHBondContact O-N 2.99Å; A245-L247 PolarHBondContact O-N 3.09Å; A245-L248 WeakPolarHBondContact O-CB 3.49Å; A245-L248 WeakPolarHBondContact O-CD1 3.21Å; A245-L248 VanDerWaalsContact O-CG 3.29Å; A245-L248 WeakPolarHBondContact O-CG 3.39Å; A245-L248 PolarHBondContact O-N 2.99Å; A245-M288 HydrophobicContact CB-CB 3.83Å; A245-M289 HydrophobicContact CB-CB 4.09Å
246F97.9Very high97.2Very high1 Ų123.5 Ų23.50%0.00413%0.131CC..Hα-helixtrans-63.5-26.7172.9178.1-126.2000113.4A143 P144 L177 K180 P242 S243 L244 S292 K293 I295 I296A143-F246 HydrophobicContact CB-CB 4.11Å; A143-F246 HydrophobicContact CB-CG 4.33Å; P144-F246 HydrophobicContact CG-CE1 3.86Å; P144-F246 HydrophobicContact CG-CZ 3.91Å; L177-F246 HydrophobicContact CD1-CD1 3.78Å; L177-F246 HydrophobicContact CD1-CE1 3.97Å; K180-F246 HydrophobicContact CB-CE1 3.84Å; K180-F246 HydrophobicContact CB-CZ 4.13Å; K180-F246 HydrophobicContact CD-CD1 4.38Å; K180-F246 HydrophobicContact CD-CE1 3.83Å; K180-F246 HydrophobicContact CD-CZ 4.2Å; K180-F246 VanDerWaalsContact CE-CZ 3.42Å; K180-F246 HydrophobicContact CG-CE1 4.48Å; K180-F246 VanDerWaalsContact NZ-CD1 3.29Å; K180-F246 VanDerWaalsContact NZ-CD2 3.34Å; K180-F246 PolarHBondContact NZ-O 3.24Å; P242-F246 WeakPolarHBondContact O-CB 3.37Å; P242-F246 PolarHBondContact O-N 3.16Å; S243-F246 WeakPolarHBondContact O-CB 3.34Å; S243-F246 PolarHBondContact O-N 2.84Å; L244-F246 VanDerWaalsContact C-N 3.31Å; L244-F246 PolarHBondContact O-N 3.13Å; F246-S292 WeakPolarHBondContact CA-OG 3.46Å; F246-S292 WeakPolarHBondContact CB-OG 3.47Å; F246-S292 WeakPolarHBondContact CD2-O 3.38Å; F246-S292 VanDerWaalsContact CE2-O 3.24Å; F246-S292 WeakPolarHBondContact CE2-O 3.24Å; F246-K293 PolarHBondContact O-NZ 2.88Å; F246-I295 HydrophobicContact CE2-CD1 4.27Å; F246-I295 HydrophobicContact CE2-CG1 4.27Å; F246-I296 HydrophobicContact CE2-CD1 4.47Å; F246-I296 HydrophobicContact CE2-CG1 4.16Å; F246-I296 HydrophobicContact CZ-CD1 3.83Å; F246-I296 HydrophobicContact CZ-CG1 4Å
247L98Very high97.3Very high14 Ų1426.2 Ų26.27%0.07315%0.146CC..THydrogen-bonded Turntrans-90.4-1.2-179.6-73.4172.4000114.5L177 K180 P207 G210 S211 A214 S243 L244 A245L177-L247 HydrophobicContact CD1-CD1 4.24Å; L177-L247 HydrophobicContact CD1-CD2 4.2Å; L177-L247 HydrophobicContact CD1-CG 4.21Å; K180-L247 HydrophobicContact CD-CD2 3.9Å; P207-L247 HydrophobicContact CB-CD2 3.94Å; P207-L247 HydrophobicContact CG-CD2 3.3Å; G210-L247 CarbonylContact C-O 3.46Å; G210-L247 WeakPolarHBondContact CA-O 3.39Å; S211-L247 PolarHBondContact N-O 3.16Å; A214-L247 HydrophobicContact CB-CB 4.23Å; S243-L247 WeakPolarHBondContact O-CB 3.4Å; S243-L247 WeakPolarHBondContact O-CD1 3.49Å; S243-L247 WeakPolarHBondContact O-CG 3.41Å; S243-L247 PolarHBondContact O-N 2.72Å; S243-L247 VanDerWaalsContact O-N 3.11Å; L244-L247 HydrophobicContact CD2-CD1 4.38Å; L244-L247 CarbonylContact O-C 3.56Å; L244-L247 WeakPolarHBondContact O-CA 3.3Å; L244-L247 WeakPolarHBondContact O-CB 3.43Å; L244-L247 PolarHBondContact O-N 2.93Å; A245-L247 PolarHBondContact O-N 3.09Å
248L98.2Very high97.4Very high0 Ų027.7 Ų27.70%015%0.153CC..SBendtrans-56.2156.6172.2-66.2170.8000112.5G210 A214 L215 E218 L244 A245 Y273 F277 M289 K293G210-L248 WeakPolarHBondContact CA-O 3.28Å; A214-L248 HydrophobicContact CB-CD2 3.86Å; A214-L248 HydrophobicContact CB-CG 4.38Å; L215-L248 HydrophobicContact CB-CD2 4.34Å; L215-L248 HydrophobicContact CD2-CD2 3.63Å; L215-L248 HydrophobicContact CG-CD2 3.66Å; E218-L248 HydrophobicContact CG-CD2 4.18Å; L244-L248 PolarHBondContact O-N 3.29Å; A245-L248 WeakPolarHBondContact O-CB 3.49Å; A245-L248 WeakPolarHBondContact O-CD1 3.21Å; A245-L248 VanDerWaalsContact O-CG 3.29Å; A245-L248 WeakPolarHBondContact O-CG 3.39Å; A245-L248 PolarHBondContact O-N 2.99Å; L248-Y273 HydrophobicContact CB-CE2 4.46Å; L248-F277 HydrophobicContact CD1-CE2 3.69Å; L248-F277 HydrophobicContact CD1-CZ 3.79Å; L248-M289 HydrophobicContact CD1-CB 4.2Å; L248-M289 HydrophobicContact CD1-CG 3.72Å; L248-K293 WeakPolarHBondContact O-CE 3.49Å; L248-K293 PolarHBondContact O-NZ 2.79Å
249P98.2Very high97.5Very high0 Ų028.9 Ų28.90%016%0.161CC..PPolyproline II helixtrans-57.4141.4178.9-27.338000113.7G209 S211 V212 L215 W254 L260 Y273G209-P249 CarbonylContact O-C 3.59Å; G209-P249 VanDerWaalsContact O-CA 3.32Å; G209-P249 WeakPolarHBondContact O-CA 3.33Å; S211-P249 WeakPolarHBondContact O-CD 3.46Å; V212-P249 HydrophobicContact CG2-CG 4Å; L215-P249 HydrophobicContact CD1-CG 3.98Å; P249-W254 HydrophobicContact CB-CD2 4.36Å; P249-W254 HydrophobicContact CB-CE3 3.82Å; P249-W254 HydrophobicContact CB-CH2 3.81Å; P249-W254 HydrophobicContact CB-CZ2 4.3Å; P249-W254 HydrophobicContact CB-CZ3 3.54Å; P249-L260 HydrophobicContact CB-CD1 3.97Å; P249-L260 HydrophobicContact CG-CD1 3.89Å; P249-Y273 WeakPolarHBondContact CB-OH 3.16Å; P249-Y273 VanDerWaalsContact CD-OH 3.3Å; P249-Y273 WeakPolarHBondContact CD-OH 3.4Å; P249-Y273 WeakPolarHBondContact O-CE2 3.45Å; P249-Y273 PolarHBondContact O-OH 3.08Å
250D97.4Very high97.6Very high17 Ų1727.9 Ų27.99%0.09116%0.158CC..PPolyproline II helixtrans-80.3119.2176-170.9-53.7000110.8G209 R252 L253G209-D250 PolarHBondContact O-N 2.84Å; D250-R252 PolarHBondContact O-N 3.13Å; D250-R252 VanDerWaalsContact OD1-CB 3.25Å; D250-R252 WeakPolarHBondContact OD1-CB 3.41Å; D250-R252 WeakPolarHBondContact OD1-CG 3.49Å; D250-R252 IonicContact OD1-CZ 3.86Å; D250-R252 PolarHBondContact OD1-N 3.15Å; D250-R252 IonicContact OD1-NE 2.75Å; D250-R252 PolarHBondContact OD1-NE 3.13Å; D250-R252 IonicContact OD1-NH2 2.73Å; D250-R252 IonicContact OD2-CZ 3.78Å; D250-R252 IonicContact OD2-NE 3.74Å; D250-R252 PolarHBondContact OD2-NE 2.82Å; D250-R252 IonicContact OD2-NH2 2.9Å; D250-R252 PolarHBondContact OD2-NH2 3.22Å; D250-L253 HydrophobicContact CB-CD1 4.35Å; D250-L253 PolarHBondContact O-N 2.91Å
251S97.2Very high97.7Very high44 Ų4427 Ų2731%0.30815%0.152SC..G310 helixtrans-59.6-16-17466.50000114.6L253 A270 H271S251-L253 PolarHBondContact O-N 3.17Å; S251-A270 VanDerWaalsContact CB-O 3.31Å; S251-A270 WeakPolarHBondContact CB-O 3.45Å; S251-H271 PolarHBondContact O-CE1 3.11Å; S251-H271 PolarHBondContact O-NE2 3.45Å
252R97Very high97.7Very high117 Ų11728.8 Ų28.844%0.44216%0.161SC..G310 helixtrans-77.6-2.2176.4-56.6171.6-68.3164.72.5113.4D250 D297 L299D250-R252 PolarHBondContact O-N 3.13Å; D250-R252 VanDerWaalsContact OD1-CB 3.25Å; D250-R252 WeakPolarHBondContact OD1-CB 3.41Å; D250-R252 WeakPolarHBondContact OD1-CG 3.49Å; D250-R252 IonicContact OD1-CZ 3.86Å; D250-R252 PolarHBondContact OD1-N 3.15Å; D250-R252 IonicContact OD1-NE 2.75Å; D250-R252 PolarHBondContact OD1-NE 3.13Å; D250-R252 IonicContact OD1-NH2 2.73Å; D250-R252 IonicContact OD2-CZ 3.78Å; D250-R252 IonicContact OD2-NE 3.74Å; D250-R252 PolarHBondContact OD2-NE 2.82Å; D250-R252 IonicContact OD2-NH2 2.9Å; D250-R252 PolarHBondContact OD2-NH2 3.22Å; R252-D297 IonicContact CZ-OD1 3.5Å; R252-D297 IonicContact CZ-OD2 2.76Å; R252-D297 IonicContact NH1-OD1 3.48Å; R252-D297 PolarHBondContact NH1-OD1 2.87Å; R252-D297 IonicContact NH1-OD2 2.68Å; R252-D297 PolarHBondContact NH1-OD2 2.85Å; R252-D297 IonicContact NH2-OD1 2.72Å; R252-D297 PolarHBondContact NH2-OD1 2.98Å; R252-D297 IonicContact NH2-OD2 2.72Å; R252-L299 HydrophobicContact CB-CD1 4.13Å
253L97.3Very high97.7Very high17 Ų1729.3 Ų29.39%0.08916%0.164CC..G310 helixtrans-116.7-5.1-179.6-59.4174.2000114.3G209 D250 S251 L299 R353 V357G209-L253 VanDerWaalsContact CA-CD1 3.46Å; D250-L253 HydrophobicContact CB-CD1 4.35Å; D250-L253 PolarHBondContact O-N 2.91Å; S251-L253 PolarHBondContact O-N 3.17Å; L253-L299 HydrophobicContact CD1-CD2 4.4Å; L253-L299 HydrophobicContact CD2-CD2 4.07Å; L253-L299 HydrophobicContact CG-CD2 4.39Å; L253-R353 WeakPolarHBondContact O-CD 3.27Å; L253-R353 PolarHBondContact O-NH1 2.73Å; L253-V357 HydrophobicContact CD1-CG2 3.51Å; L253-V357 HydrophobicContact CD2-CG2 4.34Å
254W97Very high97.6Very high6 Ų632.8 Ų32.82%0.02319%0.187CC..SBendtrans-128.8141.8173.8-70.9-99.6000109G209 P249 E258 L260 A270 H271 R353G209-W254 WeakPolarHBondContact O-CZ3 3.4Å; P249-W254 HydrophobicContact CB-CD2 4.36Å; P249-W254 HydrophobicContact CB-CE3 3.82Å; P249-W254 HydrophobicContact CB-CH2 3.81Å; P249-W254 HydrophobicContact CB-CZ2 4.3Å; P249-W254 HydrophobicContact CB-CZ3 3.54Å; W254-E258 VanDerWaalsContact CD1-OE2 3.3Å; W254-L260 HydrophobicContact CG-CD2 4.34Å; W254-A270 HydrophobicContact CB-CB 3.95Å; W254-A270 HydrophobicContact CG-CB 4.49Å; W254-H271 PolarHBondContact O-NE2 3.2Å; W254-R353 VanDerWaalsContact NE1-CZ 3.31Å
255S96.9Very high97.5Very high48 Ų4838.4 Ų38.434%0.33622%0.222SC..  trans-73156.5177.168.60000111.1T257 E258S255-T257 PolarHBondContact O-N 3.35Å; S255-T257 VanDerWaalsContact O-N 3.09Å; S255-T257 PolarHBondContact OG-N 3.5Å; S255-T257 PolarHBondContact OG-OG1 3.34Å; S255-E258 PolarHBondContact O-N 3.05Å; S255-E258 WeakPolarHBondContact OG-CB 3.29Å; S255-E258 PolarHBondContact OG-N 3.12Å
256P97.6Very high97.5Very high90 Ų9039.4 Ų39.458%0.58423%0.228SC*.THydrogen-bonded Turntrans-58.6-19.6169.5-23.833.7000113.5
257T97.8Very high97.5Very high125 Ų12543.4 Ų43.477%0.76725%0.25SC*.THydrogen-bonded Turntrans-92-1.7176.551.60000114S255 P259S255-T257 PolarHBondContact O-N 3.35Å; S255-T257 VanDerWaalsContact O-N 3.09Å; S255-T257 PolarHBondContact OG-N 3.5Å; S255-T257 PolarHBondContact OG-OG1 3.34Å; T257-P259 WeakPolarHBondContact O-CD 3.41Å
258E97.8Very high97.5Very high36 Ų3643.2 Ų43.217%0.16825%0.248CC..  trans-99.8106-179-174.7171.6-163.700110.9W254 S255 S269 K321 R353W254-E258 VanDerWaalsContact CD1-OE2 3.3Å; S255-E258 PolarHBondContact O-N 3.05Å; S255-E258 WeakPolarHBondContact OG-CB 3.29Å; S255-E258 PolarHBondContact OG-N 3.12Å; E258-S269 WeakPolarHBondContact O-CA 3.41Å; E258-S269 VanDerWaalsContact O-CB 3.29Å; E258-S269 WeakPolarHBondContact O-CB 3.17Å; E258-K321 IonicContact OE1-NZ 2.76Å; E258-K321 PolarHBondContact OE1-NZ 3.5Å; E258-R353 IonicContact OE1-CZ 3.37Å; E258-R353 IonicContact OE1-NH1 3.76Å; E258-R353 IonicContact OE1-NH2 3.59Å; E258-R353 PolarHBondContact OE1-NH2 2.84Å; E258-R353 IonicContact OE2-CZ 2.79Å; E258-R353 IonicContact OE2-NH1 3.23Å; E258-R353 PolarHBondContact OE2-NH1 2.84Å; E258-R353 IonicContact OE2-NH2 3.52Å; E258-R353 PolarHBondContact OE2-NH2 2.65Å
259P98Very high97.6Very high31 Ų3143.5 Ų43.520%0.20125%0.25CC..EExtended strand (participates in β ladder)trans-75.6134.1-178.932-36.3000111.2T257 I262 N267 K321T257-P259 WeakPolarHBondContact O-CD 3.41Å; P259-I262 HydrophobicContact CB-CG1 3.98Å; P259-I262 HydrophobicContact CG-CD1 4.23Å; P259-I262 HydrophobicContact CG-CG1 4.14Å; P259-N267 HydrophobicContact CB-CB 3.96Å; P259-K321 WeakPolarHBondContact O-CD 3.29Å; P259-K321 VanDerWaalsContact O-CE 3.26Å; P259-K321 WeakPolarHBondContact O-CE 3.46Å
260L98.4Very high97.5Very high1 Ų143.5 Ų43.51%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-97.4-33.2169.8-68.4177.2000111.3V212 L215 P249 W254 Y268 A270 K321 M322V212-L260 HydrophobicContact CG2-CD2 3.89Å; L215-L260 HydrophobicContact CD1-CB 3.95Å; L215-L260 HydrophobicContact CD1-CD1 3.67Å; L215-L260 HydrophobicContact CD1-CG 4.46Å; P249-L260 HydrophobicContact CB-CD1 3.97Å; P249-L260 HydrophobicContact CG-CD1 3.89Å; W254-L260 HydrophobicContact CG-CD2 4.34Å; L260-Y268 PolarHBondContact N-O 2.61Å; L260-A270 HydrophobicContact CD1-CB 3.88Å; L260-K321 CarbonylContact O-C 3.57Å; L260-K321 WeakPolarHBondContact O-CA 3.4Å; L260-M322 PolarHBondContact O-N 3.09Å
261I98.5Very high97.6Very high1 Ų147 Ų471%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-119.9128.8173.2-58173.9000107.9L215 T263 N267 Y268 F276 M322 Y324 F334L215-I261 HydrophobicContact CB-CD1 4.37Å; L215-I261 HydrophobicContact CD2-CD1 4.26Å; I261-T263 HydrophobicContact CG2-CG2 3.81Å; I261-N267 CarbonylContact O-C 3.55Å; I261-N267 WeakPolarHBondContact O-CA 3.49Å; I261-Y268 HydrophobicContact CB-CD2 4.02Å; I261-Y268 HydrophobicContact CG2-CD2 3.95Å; I261-Y268 PolarHBondContact N-O 2.61Å; I261-Y268 VanDerWaalsContact N-O 3.09Å; I261-Y268 PolarHBondContact O-N 2.96Å; I261-F276 HydrophobicContact CD1-CD2 3.52Å; I261-F276 HydrophobicContact CD1-CE2 3.26Å; I261-F276 HydrophobicContact CD1-CG 4.48Å; I261-F276 HydrophobicContact CD1-CZ 4.07Å; I261-M322 HydrophobicContact CD1-CE 4.15Å; I261-M322 HydrophobicContact CG1-CE 3.76Å; I261-Y324 HydrophobicContact CG2-CD2 3.71Å; I261-Y324 HydrophobicContact CG2-CE2 3.74Å; I261-F334 HydrophobicContact CG2-CD2 4.45Å; I261-F334 HydrophobicContact CG2-CE2 3.91Å
262I98.5Very high97.6Very high50 Ų5047.1 Ų47.126%0.25626%0.263SS..EExtended strand (participates in β ladder)trans-114.9129174.2-65.9167.7000107.3P259 N267 M322 I323 Y324P259-I262 HydrophobicContact CB-CG1 3.98Å; P259-I262 HydrophobicContact CG-CD1 4.23Å; P259-I262 HydrophobicContact CG-CG1 4.14Å; I262-N267 WeakPolarHBondContact CA-OD1 3.48Å; I262-M322 PolarHBondContact N-O 2.8Å; I262-I323 HydrophobicContact CB-CG1 4.23Å; I262-I323 HydrophobicContact CD1-CD1 4.48Å; I262-I323 HydrophobicContact CD1-CG1 4.28Å; I262-I323 HydrophobicContact CG2-CG2 4.29Å; I262-Y324 PolarHBondContact O-N 3.41Å
263T97.8Very high97.7Very high11 Ų1142.3 Ų42.37%0.06725%0.245CC..  trans-133.6167.9176.283.70000109.6I261 T265 T266 Y268 Y324 F334I261-T263 HydrophobicContact CG2-CG2 3.81Å; T263-T265 PolarHBondContact O-N 2.81Å; T263-T265 VanDerWaalsContact O-N 3.13Å; T263-T265 PolarHBondContact OG1-N 3.47Å; T263-T266 WeakPolarHBondContact CB-O 3.37Å; T263-T266 WeakPolarHBondContact CG2-O 3.46Å; T263-T266 PolarHBondContact N-O 3.11Å; T263-T266 VanDerWaalsContact N-O 3.12Å; T263-T266 PolarHBondContact OG1-N 3.36Å; T263-T266 VanDerWaalsContact OG1-N 3.1Å; T263-T266 PolarHBondContact OG1-O 2.98Å; T263-Y268 HydrophobicContact CG2-CD2 4.41Å; T263-Y268 HydrophobicContact CG2-CE2 3.96Å; T263-Y324 HydrophobicContact CG2-CD2 4.31Å; T263-Y324 HydrophobicContact CG2-CG 4.42Å; T263-F334 HydrophobicContact CG2-CB 4Å; T263-F334 HydrophobicContact CG2-CD1 4.05Å; T263-F334 HydrophobicContact CG2-CD2 3.77Å; T263-F334 HydrophobicContact CG2-CE1 4.41Å; T263-F334 HydrophobicContact CG2-CE2 4.17Å; T263-F334 HydrophobicContact CG2-CG 3.69Å; T263-F334 HydrophobicContact CG2-CZ 4.45Å
264P96.3Very high97.8Very high73 Ų7347.6 Ų47.647%0.47427%0.269SS..SBendtrans-64.2-18.4-177.6-20.833.4000114.8Y324 P326P264-Y324 WeakPolarHBondContact CD-O 3.28Å; P264-P326 HydrophobicContact CB-CG 4.23Å; P264-P326 HydrophobicContact CG-CB 4.23Å; P264-P326 HydrophobicContact CG-CG 3.88Å
265T95.3Very high97.8Very high125 Ų12552.1 Ų52.177%0.76729%0.286SS*.SBendtrans-123.2-17.7-172.955.80000113.7T263T263-T265 PolarHBondContact O-N 2.81Å; T263-T265 VanDerWaalsContact O-N 3.13Å; T263-T265 PolarHBondContact OG1-N 3.47Å
266T96.6Very high97.9Very high21 Ų2149.9 Ų49.913%0.12927%0.27CS..  trans-159.3138.9-174.5-70.70000111T263 Y268 R275T263-T266 WeakPolarHBondContact CB-O 3.37Å; T263-T266 WeakPolarHBondContact CG2-O 3.46Å; T263-T266 PolarHBondContact N-O 3.11Å; T263-T266 VanDerWaalsContact N-O 3.12Å; T263-T266 PolarHBondContact OG1-N 3.36Å; T263-T266 VanDerWaalsContact OG1-N 3.1Å; T263-T266 PolarHBondContact OG1-O 2.98Å; T266-Y268 HydrophobicContact CG2-CD1 4.15Å; T266-Y268 HydrophobicContact CG2-CD2 4.05Å; T266-Y268 HydrophobicContact CG2-CE1 3.68Å; T266-Y268 HydrophobicContact CG2-CE2 3.57Å; T266-Y268 HydrophobicContact CG2-CG 4.31Å; T266-R275 VanDerWaalsContact CG2-CZ 3.41Å; T266-R275 PolarHBondContact OG1-NH2 3Å
267N98.2Very high98Very high85 Ų8545.6 Ų45.646%0.45524%0.242SC..EExtended strand (participates in β ladder)trans-101.3147.3165.6-68-17.1000109.5P259 I261 I262P259-N267 HydrophobicContact CB-CB 3.96Å; I261-N267 CarbonylContact O-C 3.55Å; I261-N267 WeakPolarHBondContact O-CA 3.49Å; I262-N267 WeakPolarHBondContact CA-OD1 3.48Å
268Y98.6Very high98Very high10 Ų1046.1 Ų46.14%0.03923%0.23CC..EExtended strand (participates in β ladder)trans-124.3123.9176.4-51.3-98000109.7L260 I261 T263 T266 D272 R275 F276 D279 F334L260-Y268 PolarHBondContact N-O 2.61Å; I261-Y268 HydrophobicContact CB-CD2 4.02Å; I261-Y268 HydrophobicContact CG2-CD2 3.95Å; I261-Y268 PolarHBondContact N-O 2.61Å; I261-Y268 VanDerWaalsContact N-O 3.09Å; I261-Y268 PolarHBondContact O-N 2.96Å; T263-Y268 HydrophobicContact CG2-CD2 4.41Å; T263-Y268 HydrophobicContact CG2-CE2 3.96Å; T266-Y268 HydrophobicContact CG2-CD1 4.15Å; T266-Y268 HydrophobicContact CG2-CD2 4.05Å; T266-Y268 HydrophobicContact CG2-CE1 3.68Å; T266-Y268 HydrophobicContact CG2-CE2 3.57Å; T266-Y268 HydrophobicContact CG2-CG 4.31Å; Y268-D272 HydrophobicContact CD1-CB 4.14Å; Y268-R275 HydrophobicContact CD1-CG 4.49Å; Y268-R275 HydrophobicContact CE1-CB 4.41Å; Y268-R275 HydrophobicContact CE1-CG 4Å; Y268-F276 HydrophobicContact CD1-CB 3.75Å; Y268-F276 HydrophobicContact CE1-CB 4.24Å; Y268-F276 HydrophobicContact CG-CB 4.31Å; Y268-D279 HydrophobicContact CE1-CB 4.23Å; Y268-D279 WeakPolarHBondContact CE1-OD2 3.41Å; Y268-D279 VanDerWaalsContact OH-CB 3.27Å; Y268-D279 WeakPolarHBondContact OH-CB 3.34Å; Y268-D279 PolarHBondContact OH-OD2 3.14Å; Y268-F334 HydrophobicContact CD2-CZ 4.38Å; Y268-F334 AromaticContact CE2-CE1 3.76Å; Y268-F334 HydrophobicContact CE2-CE1 3.76Å; Y268-F334 AromaticContact CE2-CZ 3.78Å; Y268-F334 HydrophobicContact CE2-CZ 3.78Å; Y268-F334 AromaticContact CZ-CE1 3.89Å
269S98.4Very high98Very high5 Ų547 Ų474%0.03524%0.236CC..EExtended strand (participates in β ladder)trans-89.3-178.5170.5750000111.2E258 H271 D272E258-S269 WeakPolarHBondContact O-CA 3.41Å; E258-S269 VanDerWaalsContact O-CB 3.29Å; E258-S269 WeakPolarHBondContact O-CB 3.17Å; S269-H271 PolarHBondContact O-N 2.92Å; S269-H271 VanDerWaalsContact O-N 3.16Å; S269-H271 WeakPolarHBondContact OG-CB 3.11Å; S269-H271 PolarHBondContact OG-N 3.43Å; S269-D272 VanDerWaalsContact CB-OD2 3.3Å; S269-D272 WeakPolarHBondContact CB-OD2 3.22Å; S269-D272 PolarHBondContact N-OD2 3.25Å; S269-D272 PolarHBondContact O-N 3.1Å; S269-D272 PolarHBondContact OG-OD2 2.69Å
270A98Very high98Very high1 Ų145.6 Ų45.61%0.00823%0.227CC..THydrogen-bonded Turntrans-66.1-6.5169.200000114.1S251 W254 L260 Y273S251-A270 VanDerWaalsContact CB-O 3.31Å; S251-A270 WeakPolarHBondContact CB-O 3.45Å; W254-A270 HydrophobicContact CB-CB 3.95Å; W254-A270 HydrophobicContact CG-CB 4.49Å; L260-A270 HydrophobicContact CD1-CB 3.88Å; A270-Y273 VanDerWaalsContact O-CE2 3.25Å; A270-Y273 WeakPolarHBondContact O-CE2 3.19Å
271H98.3Very high97.9Very high89 Ų8952.5 Ų52.541%0.41226%0.264SS..THydrogen-bonded Turntrans-99.5-11.5178.9-58.9-99.6000112.4S251 W254 S269 Y273S251-H271 PolarHBondContact O-CE1 3.11Å; S251-H271 PolarHBondContact O-NE2 3.45Å; W254-H271 PolarHBondContact O-NE2 3.2Å; S269-H271 PolarHBondContact O-N 2.92Å; S269-H271 VanDerWaalsContact O-N 3.16Å; S269-H271 WeakPolarHBondContact OG-CB 3.11Å; S269-H271 PolarHBondContact OG-N 3.43Å; H271-Y273 PolarHBondContact O-N 2.84Å
272D98.4Very high97.8Very high47 Ų4754.5 Ų54.525%0.25127%0.272SS..  trans-93.218.1-174.3-66.4-83.4000113.9Y268 S269 E274 R275 F276Y268-D272 HydrophobicContact CD1-CB 4.14Å; S269-D272 VanDerWaalsContact CB-OD2 3.3Å; S269-D272 WeakPolarHBondContact CB-OD2 3.22Å; S269-D272 PolarHBondContact N-OD2 3.25Å; S269-D272 PolarHBondContact O-N 3.1Å; S269-D272 PolarHBondContact OG-OD2 2.69Å; D272-E274 PolarHBondContact O-N 3.39Å; D272-R275 HydrophobicContact CB-CB 4.43Å; D272-R275 CarbonylContact O-C 3.34Å; D272-R275 WeakPolarHBondContact O-CA 3.13Å; D272-R275 VanDerWaalsContact O-CB 3.29Å; D272-R275 WeakPolarHBondContact O-CB 3.45Å; D272-R275 PolarHBondContact O-N 3.08Å; D272-F276 PolarHBondContact O-N 2.7Å
273Y98.4Very high97.8Very high17 Ų1755 Ų557%0.06728%0.28CS..Hα-helixtrans-61.8-35.9-167.3-67.1-29.7000115.6L215 L248 P249 A270 H271 R275 F276 F277 M289L215-Y273 HydrophobicContact CD1-CE1 4.27Å; L215-Y273 HydrophobicContact CD2-CD1 4.25Å; L215-Y273 HydrophobicContact CD2-CE1 3.86Å; L248-Y273 HydrophobicContact CB-CE2 4.46Å; P249-Y273 WeakPolarHBondContact CB-OH 3.16Å; P249-Y273 VanDerWaalsContact CD-OH 3.3Å; P249-Y273 WeakPolarHBondContact CD-OH 3.4Å; P249-Y273 WeakPolarHBondContact O-CE2 3.45Å; P249-Y273 PolarHBondContact O-OH 3.08Å; A270-Y273 VanDerWaalsContact O-CE2 3.25Å; A270-Y273 WeakPolarHBondContact O-CE2 3.19Å; H271-Y273 PolarHBondContact O-N 2.84Å; Y273-R275 VanDerWaalsContact C-N 3.33Å; Y273-F276 PolarHBondContact O-N 2.97Å; Y273-F277 WeakPolarHBondContact O-CB 3.46Å; Y273-F277 VanDerWaalsContact O-CD2 3.3Å; Y273-F277 WeakPolarHBondContact O-CD2 3.49Å; Y273-F277 PolarHBondContact O-N 3.11Å; Y273-M289 HydrophobicContact CD2-CE 4.23Å; Y273-M289 HydrophobicContact CD2-SD 4.27Å
274E98.3Very high97.8Very high128 Ų12857.3 Ų57.360%0.59829%0.291SS*.Hα-helixtrans-62.7-44.4174.3-171.2179.8-164.300110.9D272 R278 F286D272-E274 PolarHBondContact O-N 3.39Å; E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 PolarHBondContact O-N 3.06Å; E274-F286 VanDerWaalsContact CA-CD2 3.48Å; E274-F286 HydrophobicContact CB-CD1 4.29Å; E274-F286 HydrophobicContact CB-CD2 3.94Å; E274-F286 HydrophobicContact CB-CE1 4Å; E274-F286 HydrophobicContact CB-CE2 3.63Å; E274-F286 HydrophobicContact CB-CG 4.27Å; E274-F286 HydrophobicContact CB-CZ 3.67Å; E274-F286 HydrophobicContact CG-CD1 4.06Å; E274-F286 HydrophobicContact CG-CE1 3.89Å; E274-F286 HydrophobicContact CG-CE2 4.41Å; E274-F286 HydrophobicContact CG-CG 4.4Å; E274-F286 HydrophobicContact CG-CZ 4.09Å
275R98.4Very high97.9Very high100 Ų10053.8 Ų53.838%0.37727%0.268SS..Hα-helixtrans-61.7-49.4176.6-166.1-157.7173.4142.1-1.1110.7T266 Y268 D272 Y273 R278 D279T266-R275 VanDerWaalsContact CG2-CZ 3.41Å; T266-R275 PolarHBondContact OG1-NH2 3Å; Y268-R275 HydrophobicContact CD1-CG 4.49Å; Y268-R275 HydrophobicContact CE1-CB 4.41Å; Y268-R275 HydrophobicContact CE1-CG 4Å; D272-R275 HydrophobicContact CB-CB 4.43Å; D272-R275 CarbonylContact O-C 3.34Å; D272-R275 WeakPolarHBondContact O-CA 3.13Å; D272-R275 VanDerWaalsContact O-CB 3.29Å; D272-R275 WeakPolarHBondContact O-CB 3.45Å; D272-R275 PolarHBondContact O-N 3.08Å; Y273-R275 VanDerWaalsContact C-N 3.33Å; R275-R278 VanDerWaalsContact CG-NH2 3.29Å; R275-R278 PolarHBondContact O-N 3.24Å; R275-D279 IonicContact NE-OD2 3.37Å; R275-D279 PolarHBondContact NE-OD2 3.06Å; R275-D279 VanDerWaalsContact O-CB 3.24Å; R275-D279 WeakPolarHBondContact O-CB 3.18Å; R275-D279 PolarHBondContact O-N 2.99Å
276F98.6Very high98Very high2 Ų250.5 Ų50.51%0.00924%0.243CC..Hα-helixtrans-55.3-55.3177.1165.1-106.7000111.4L215 E218 A219 I261 Y268 D272 Y273 R278 D279 V280 F334L215-F276 HydrophobicContact CD2-CD1 4.02Å; L215-F276 HydrophobicContact CD2-CE1 3.7Å; L215-F276 HydrophobicContact CD2-CZ 3.97Å; E218-F276 HydrophobicContact CB-CE1 3.87Å; E218-F276 HydrophobicContact CB-CZ 3.89Å; A219-F276 HydrophobicContact CB-CE2 3.99Å; A219-F276 HydrophobicContact CB-CZ 4.04Å; I261-F276 HydrophobicContact CD1-CD2 3.52Å; I261-F276 HydrophobicContact CD1-CE2 3.26Å; I261-F276 HydrophobicContact CD1-CG 4.48Å; I261-F276 HydrophobicContact CD1-CZ 4.07Å; Y268-F276 HydrophobicContact CD1-CB 3.75Å; Y268-F276 HydrophobicContact CE1-CB 4.24Å; Y268-F276 HydrophobicContact CG-CB 4.31Å; D272-F276 PolarHBondContact O-N 2.7Å; Y273-F276 PolarHBondContact O-N 2.97Å; F276-R278 VanDerWaalsContact C-N 3.33Å; F276-R278 PolarHBondContact O-N 2.97Å; F276-D279 PolarHBondContact O-N 3.47Å; F276-D279 VanDerWaalsContact O-N 3.15Å; F276-V280 HydrophobicContact CD2-CG1 3.89Å; F276-V280 HydrophobicContact CE2-CG1 3.54Å; F276-V280 HydrophobicContact CZ-CG1 4.13Å; F276-V280 HydrophobicContact CZ-CG2 4.36Å; F276-V280 WeakPolarHBondContact O-CG1 3.3Å; F276-V280 WeakPolarHBondContact O-CG2 3.42Å; F276-V280 PolarHBondContact O-N 3.03Å; F276-F334 HydrophobicContact CD2-CZ 4.01Å; F276-F334 HydrophobicContact CE2-CE2 4.31Å; F276-F334 HydrophobicContact CE2-CZ 4.04Å
277F98.6Very high98Very high0 Ų051.8 Ų51.80%025%0.248CC..Hα-helixtrans-64.1-36.6-176.3-87.3-62.8000113.2E218 L248 Y273 V280 Y282 S283 G285 F286 M289E218-F277 HydrophobicContact CB-CE1 4.04Å; E218-F277 HydrophobicContact CB-CZ 4.39Å; E218-F277 HydrophobicContact CG-CE1 3.84Å; E218-F277 HydrophobicContact CG-CZ 3.84Å; E218-F277 WeakPolarHBondContact OE2-CE1 3.35Å; L248-F277 HydrophobicContact CD1-CE2 3.69Å; L248-F277 HydrophobicContact CD1-CZ 3.79Å; Y273-F277 WeakPolarHBondContact O-CB 3.46Å; Y273-F277 VanDerWaalsContact O-CD2 3.3Å; Y273-F277 WeakPolarHBondContact O-CD2 3.49Å; Y273-F277 PolarHBondContact O-N 3.11Å; F277-V280 HydrophobicContact CD1-CG2 4.49Å; F277-Y282 HydrophobicContact CD1-CD1 4.45Å; F277-Y282 VanDerWaalsContact CD1-O 3.31Å; F277-Y282 WeakPolarHBondContact CD1-O 3.43Å; F277-Y282 HydrophobicContact CE1-CD1 4.45Å; F277-Y282 CarbonylContact O-C 3.59Å; F277-Y282 WeakPolarHBondContact O-CA 3.48Å; F277-Y282 PolarHBondContact O-N 2.8Å; F277-S283 PolarHBondContact O-N 3.08Å; F277-G285 VanDerWaalsContact CE1-CA 3.48Å; F277-G285 VanDerWaalsContact CZ-C 3.46Å; F277-F286 HydrophobicContact CB-CB 3.78Å; F277-F286 VanDerWaalsContact CD2-CA 3.5Å; F277-F286 HydrophobicContact CD2-CB 3.68Å; F277-F286 HydrophobicContact CD2-CD2 4.3Å; F277-F286 VanDerWaalsContact CD2-N 3.34Å; F277-F286 HydrophobicContact CG-CB 3.94Å; F277-M289 HydrophobicContact CE2-CB 4.26Å
278R98.3Very high98Very high135 Ų13547.9 Ų47.951%0.50923%0.227SC..Hα-helixtrans-64.6-49171-177.5-163.166.3-143.40.7111.5E274 R275 F276 V280 N281E274-R278 WeakPolarHBondContact O-CB 3.43Å; E274-R278 PolarHBondContact O-N 3.06Å; R275-R278 VanDerWaalsContact CG-NH2 3.29Å; R275-R278 PolarHBondContact O-N 3.24Å; F276-R278 VanDerWaalsContact C-N 3.33Å; F276-R278 PolarHBondContact O-N 2.97Å; R278-V280 VanDerWaalsContact C-N 3.3Å; R278-V280 PolarHBondContact O-N 2.83Å; R278-N281 WeakPolarHBondContact O-CA 3.21Å; R278-N281 PolarHBondContact O-N 3.34Å
279D97.9Very high97.9Very high55 Ų5548.3 Ų48.329%0.29423%0.23SC..Hα-helixtrans-69.4-24.6-174.9-65.2-3.1000112.4Y268 R275 F276 N281 F334Y268-D279 HydrophobicContact CE1-CB 4.23Å; Y268-D279 WeakPolarHBondContact CE1-OD2 3.41Å; Y268-D279 VanDerWaalsContact OH-CB 3.27Å; Y268-D279 WeakPolarHBondContact OH-CB 3.34Å; Y268-D279 PolarHBondContact OH-OD2 3.14Å; R275-D279 IonicContact NE-OD2 3.37Å; R275-D279 PolarHBondContact NE-OD2 3.06Å; R275-D279 VanDerWaalsContact O-CB 3.24Å; R275-D279 WeakPolarHBondContact O-CB 3.18Å; R275-D279 PolarHBondContact O-N 2.99Å; F276-D279 PolarHBondContact O-N 3.47Å; F276-D279 VanDerWaalsContact O-N 3.15Å; D279-N281 VanDerWaalsContact C-N 3.28Å; D279-F334 HydrophobicContact CB-CE1 4.48Å
280V97.1Very high97.9Very high2 Ų250 Ų501%0.01224%0.242CC..THydrogen-bonded Turntrans-88.312.5169.5-51.80000114.5R239 F276 F277 R278 Y282 F334 P335R239-V280 PolarHBondContact NH1-O 3.33Å; R239-V280 VanDerWaalsContact NH1-O 3.09Å; R239-V280 PolarHBondContact NH2-O 3.13Å; R239-V280 VanDerWaalsContact NH2-O 3.12Å; F276-V280 HydrophobicContact CD2-CG1 3.89Å; F276-V280 HydrophobicContact CE2-CG1 3.54Å; F276-V280 HydrophobicContact CZ-CG1 4.13Å; F276-V280 HydrophobicContact CZ-CG2 4.36Å; F276-V280 WeakPolarHBondContact O-CG1 3.3Å; F276-V280 WeakPolarHBondContact O-CG2 3.42Å; F276-V280 PolarHBondContact O-N 3.03Å; F277-V280 HydrophobicContact CD1-CG2 4.49Å; R278-V280 VanDerWaalsContact C-N 3.3Å; R278-V280 PolarHBondContact O-N 2.83Å; V280-Y282 PolarHBondContact O-N 3.03Å; V280-F334 HydrophobicContact CG1-CE1 3.7Å; V280-F334 HydrophobicContact CG1-CE2 3.92Å; V280-F334 HydrophobicContact CG1-CZ 3.26Å; V280-P335 HydrophobicContact CB-CB 3.99Å; V280-P335 HydrophobicContact CB-CG 4.03Å; V280-P335 HydrophobicContact CG1-CB 3.83Å; V280-P335 HydrophobicContact CG1-CG 4.32Å
281N97.2Very high97.8Very high145 Ų14552 Ų5278%0.77525%0.252SS*.THydrogen-bonded Turntrans51.947.8-177.3-164.624.1000113.6R278 D279R278-N281 WeakPolarHBondContact O-CA 3.21Å; R278-N281 PolarHBondContact O-N 3.34Å; D279-N281 VanDerWaalsContact C-N 3.28Å
282Y97.5Very high97.7Very high43 Ų4347.7 Ų47.717%0.16923%0.232CC..  trans-148.856.5176.9-159.4-112.5000113.2R239 F277 V280 I284 G285R239-Y282 HydrophobicContact CB-CD1 4.11Å; R239-Y282 HydrophobicContact CB-CE1 3.72Å; R239-Y282 HydrophobicContact CB-CE2 4.34Å; R239-Y282 HydrophobicContact CG-CD1 4.07Å; R239-Y282 HydrophobicContact CG-CE1 4.2Å; R239-Y282 HydrophobicContact CG-CG 4.44Å; R239-Y282 VanDerWaalsContact O-CE1 3.25Å; R239-Y282 WeakPolarHBondContact O-CE1 3.31Å; R239-Y282 PolarHBondContact O-OH 2.89Å; R239-Y282 VanDerWaalsContact O-OH 3.06Å; F277-Y282 HydrophobicContact CD1-CD1 4.45Å; F277-Y282 VanDerWaalsContact CD1-O 3.31Å; F277-Y282 WeakPolarHBondContact CD1-O 3.43Å; F277-Y282 HydrophobicContact CE1-CD1 4.45Å; F277-Y282 CarbonylContact O-C 3.59Å; F277-Y282 WeakPolarHBondContact O-CA 3.48Å; F277-Y282 PolarHBondContact O-N 2.8Å; V280-Y282 PolarHBondContact O-N 3.03Å; Y282-I284 HydrophobicContact CE1-CB 4.22Å; Y282-I284 HydrophobicContact CE1-CG2 4.23Å; Y282-I284 HydrophobicContact CE2-CB 4.22Å; Y282-I284 PolarHBondContact O-N 3.32Å; Y282-G285 PolarHBondContact O-N 3.14Å
283S97.9Very high97.5Very high62 Ų6247.5 Ų47.543%0.43423%0.229SC..Hα-helixtrans-56.6-16.4178.3-47.80000114.6F277 F286F277-S283 PolarHBondContact O-N 3.08Å; S283-F286 PolarHBondContact O-N 3.44Å
284I97.3Very high97.1Very high58 Ų5851.3 Ų51.330%0.29726%0.259SS..Hα-helixtrans-63.6-38171.8-72.5172.9000111.7Y74 Y282 F286 Q287 M288Y74-I284 HydrophobicContact CD1-CG2 3.47Å; Y74-I284 VanDerWaalsContact CD1-CG2 3.47Å; Y74-I284 HydrophobicContact CE1-CG2 3.95Å; Y74-I284 HydrophobicContact CG-CG2 4.05Å; Y282-I284 HydrophobicContact CE1-CB 4.22Å; Y282-I284 HydrophobicContact CE1-CG2 4.23Å; Y282-I284 HydrophobicContact CE2-CB 4.22Å; Y282-I284 PolarHBondContact O-N 3.32Å; I284-F286 PolarHBondContact O-N 2.97Å; I284-Q287 WeakPolarHBondContact O-CA 3.37Å; I284-Q287 VanDerWaalsContact O-CB 3.29Å; I284-Q287 WeakPolarHBondContact O-CB 3.32Å; I284-Q287 PolarHBondContact O-N 3.07Å; I284-M288 HydrophobicContact CG2-CE 3.83Å; I284-M288 HydrophobicContact CG2-CG 4.4Å; I284-M288 HydrophobicContact CG2-SD 4.29Å; I284-M288 PolarHBondContact O-N 3.05Å
285G97.9Very high97Very high0 Ų047.3 Ų47.30%024%0.241CC..Hα-helixtrans-63.8-28.8178.300000113F277 Y282 Q287 M289F277-G285 VanDerWaalsContact CE1-CA 3.48Å; F277-G285 VanDerWaalsContact CZ-C 3.46Å; Y282-G285 PolarHBondContact O-N 3.14Å; G285-Q287 VanDerWaalsContact C-N 3.32Å; G285-M289 WeakPolarHBondContact O-CB 3.48Å; G285-M289 PolarHBondContact O-N 3.36Å
286F97.9Very high96.8Very high55 Ų5543.2 Ų43.224%0.24123%0.226CC..Hα-helixtrans-67.6-32.9170.8-176.9-108.8000112.5E274 F277 S283 I284 M289 S290E274-F286 VanDerWaalsContact CA-CD2 3.48Å; E274-F286 HydrophobicContact CB-CD1 4.29Å; E274-F286 HydrophobicContact CB-CD2 3.94Å; E274-F286 HydrophobicContact CB-CE1 4Å; E274-F286 HydrophobicContact CB-CE2 3.63Å; E274-F286 HydrophobicContact CB-CG 4.27Å; E274-F286 HydrophobicContact CB-CZ 3.67Å; E274-F286 HydrophobicContact CG-CD1 4.06Å; E274-F286 HydrophobicContact CG-CE1 3.89Å; E274-F286 HydrophobicContact CG-CE2 4.41Å; E274-F286 HydrophobicContact CG-CG 4.4Å; E274-F286 HydrophobicContact CG-CZ 4.09Å; F277-F286 HydrophobicContact CB-CB 3.78Å; F277-F286 VanDerWaalsContact CD2-CA 3.5Å; F277-F286 HydrophobicContact CD2-CB 3.68Å; F277-F286 HydrophobicContact CD2-CD2 4.3Å; F277-F286 VanDerWaalsContact CD2-N 3.34Å; F277-F286 HydrophobicContact CG-CB 3.94Å; S283-F286 PolarHBondContact O-N 3.44Å; I284-F286 PolarHBondContact O-N 2.97Å; F286-M289 HydrophobicContact CD2-CE 3.34Å; F286-M289 HydrophobicContact CE2-CE 3.26Å; F286-M289 HydrophobicContact CG-CE 4.34Å; F286-M289 HydrophobicContact CZ-CE 4.21Å; F286-S290 WeakPolarHBondContact O-CB 3.37Å; F286-S290 PolarHBondContact O-N 3.01Å; F286-S290 PolarHBondContact O-OG 3.47Å
287Q97.4Very high96.7Very high48 Ų4845.4 Ų45.422%0.22424%0.238CC..Hα-helixtrans-69-52.1175.2-58.1-172.712.700110.5Y74 I284 G285 M289 S290 D291Y74-Q287 HydrophobicContact CE1-CB 4.27Å; Y74-Q287 WeakPolarHBondContact OH-CB 3.39Å; Y74-Q287 PolarHBondContact OH-OE1 2.98Å; I284-Q287 WeakPolarHBondContact O-CA 3.37Å; I284-Q287 VanDerWaalsContact O-CB 3.29Å; I284-Q287 WeakPolarHBondContact O-CB 3.32Å; I284-Q287 PolarHBondContact O-N 3.07Å; G285-Q287 VanDerWaalsContact C-N 3.32Å; Q287-M289 VanDerWaalsContact C-N 3.27Å; Q287-M289 PolarHBondContact O-N 2.65Å; Q287-S290 PolarHBondContact O-N 3.18Å; Q287-D291 VanDerWaalsContact O-CG 3.29Å; Q287-D291 PolarHBondContact O-N 3.45Å
288M97.7Very high96.6Very high3 Ų345.6 Ų45.62%0.01524%0.239CC..Hα-helixtrans-53.2-43.5173.3-65.2171.5168.200112.4Y74 P242 A245 I284 S292Y74-M288 VanDerWaalsContact CB-CE 3.43Å; Y74-M288 HydrophobicContact CD1-CE 4.5Å; Y74-M288 HydrophobicContact CD2-CE 3.96Å; Y74-M288 HydrophobicContact CD2-CG 3.84Å; Y74-M288 HydrophobicContact CE2-CG 3.94Å; Y74-M288 HydrophobicContact CG-CE 3.73Å; Y74-M288 HydrophobicContact CG-CG 4.3Å; P242-M288 HydrophobicContact CB-CB 4.16Å; P242-M288 HydrophobicContact CB-CG 4.27Å; P242-M288 HydrophobicContact CG-CE 4.18Å; P242-M288 HydrophobicContact CG-CG 4.08Å; P242-M288 HydrophobicContact CG-SD 4.13Å; A245-M288 HydrophobicContact CB-CB 3.83Å; I284-M288 HydrophobicContact CG2-CE 3.83Å; I284-M288 HydrophobicContact CG2-CG 4.4Å; I284-M288 HydrophobicContact CG2-SD 4.29Å; I284-M288 PolarHBondContact O-N 3.05Å; M288-S292 VanDerWaalsContact O-CB 3.31Å; M288-S292 WeakPolarHBondContact O-CB 3.32Å; M288-S292 PolarHBondContact O-N 3.45Å; M288-S292 VanDerWaalsContact O-N 3.16Å; M288-S292 PolarHBondContact O-OG 3.31Å
289M97.4Very high96.5Very high19 Ų1941.2 Ų41.29%0.09423%0.226CC..Hα-helixtrans-61.3-49.8175.7-176.7-76.5-6100110.7A245 L248 Y273 F277 G285 F286 Q287 D291 S292 K293A245-M289 HydrophobicContact CB-CB 4.09Å; L248-M289 HydrophobicContact CD1-CB 4.2Å; L248-M289 HydrophobicContact CD1-CG 3.72Å; Y273-M289 HydrophobicContact CD2-CE 4.23Å; Y273-M289 HydrophobicContact CD2-SD 4.27Å; F277-M289 HydrophobicContact CE2-CB 4.26Å; G285-M289 WeakPolarHBondContact O-CB 3.48Å; G285-M289 PolarHBondContact O-N 3.36Å; F286-M289 HydrophobicContact CD2-CE 3.34Å; F286-M289 HydrophobicContact CE2-CE 3.26Å; F286-M289 HydrophobicContact CG-CE 4.34Å; F286-M289 HydrophobicContact CZ-CE 4.21Å; Q287-M289 VanDerWaalsContact C-N 3.27Å; Q287-M289 PolarHBondContact O-N 2.65Å; M289-D291 PolarHBondContact O-N 3.43Å; M289-S292 PolarHBondContact O-N 3.43Å; M289-S292 PolarHBondContact O-OG 2.84Å; M289-K293 HydrophobicContact CG-CG 3.89Å; M289-K293 WeakPolarHBondContact O-CB 3.13Å; M289-K293 WeakPolarHBondContact O-CG 3.47Å; M289-K293 PolarHBondContact O-N 3.44Å; M289-K293 HydrophobicContact SD-CB 4.14Å; M289-K293 HydrophobicContact SD-CG 3.55Å; M289-K293 VanDerWaalsContact SD-CG 3.55Å
290S96.5Very high96.4Very high42 Ų4244 Ų4429%0.29424%0.237SC..Hα-helixtrans-62.8-42.3-177.5-59.30000112.8F286 Q287F286-S290 WeakPolarHBondContact O-CB 3.37Å; F286-S290 PolarHBondContact O-N 3.01Å; F286-S290 PolarHBondContact O-OG 3.47Å; Q287-S290 PolarHBondContact O-N 3.18Å
291D95.9Very high96.3Very high41 Ų4146.2 Ų46.222%0.21925%0.246CC..Hα-helixtrans-71.3-31.5-178.3-62.8-22.7000112.6Y74 R79 Q287 M289 I295Y74-D291 PolarHBondContact OH-OD2 2.88Å; R79-D291 IonicContact CZ-OD1 3.48Å; R79-D291 IonicContact CZ-OD2 3.27Å; R79-D291 VanDerWaalsContact CZ-OD2 3.27Å; R79-D291 IonicContact NE-OD1 3.45Å; R79-D291 PolarHBondContact NE-OD1 2.85Å; R79-D291 IonicContact NE-OD2 2.75Å; R79-D291 PolarHBondContact NE-OD2 2.83Å; R79-D291 IonicContact NH2-OD1 2.72Å; R79-D291 PolarHBondContact NH2-OD1 2.9Å; R79-D291 IonicContact NH2-OD2 3.01Å; R79-D291 PolarHBondContact NH2-OD2 2.63Å; Q287-D291 VanDerWaalsContact O-CG 3.29Å; Q287-D291 PolarHBondContact O-N 3.45Å; M289-D291 PolarHBondContact O-N 3.43Å; D291-I295 VanDerWaalsContact O-CG2 3.23Å; D291-I295 WeakPolarHBondContact O-CG2 3.47Å
292S96.3Very high96.2Very high0 Ų039.3 Ų39.30%021%0.21CC..Hα-helixtrans-93.5-31.7-177.762.90000113.9A143 F246 M288 M289 S294 I295A143-S292 VanDerWaalsContact CB-CB 3.44Å; F246-S292 WeakPolarHBondContact CA-OG 3.46Å; F246-S292 WeakPolarHBondContact CB-OG 3.47Å; F246-S292 WeakPolarHBondContact CD2-O 3.38Å; F246-S292 VanDerWaalsContact CE2-O 3.24Å; F246-S292 WeakPolarHBondContact CE2-O 3.24Å; M288-S292 VanDerWaalsContact O-CB 3.31Å; M288-S292 WeakPolarHBondContact O-CB 3.32Å; M288-S292 PolarHBondContact O-N 3.45Å; M288-S292 VanDerWaalsContact O-N 3.16Å; M288-S292 PolarHBondContact O-OG 3.31Å; M289-S292 PolarHBondContact O-N 3.43Å; M289-S292 PolarHBondContact O-OG 2.84Å; S292-S294 PolarHBondContact O-N 2.73Å; S292-I295 WeakPolarHBondContact O-CD1 3.34Å; S292-I295 VanDerWaalsContact O-CG1 3.28Å; S292-I295 WeakPolarHBondContact O-CG1 3.45Å
293K94.4Very high96.1Very high42 Ų4240.3 Ų40.318%0.18322%0.223CC..Hα-helixtrans-68.2-34-172.8-86.3-62.1-158.8170.50114.6F246 L248 M289 I295F246-K293 PolarHBondContact O-NZ 2.88Å; L248-K293 WeakPolarHBondContact O-CE 3.49Å; L248-K293 PolarHBondContact O-NZ 2.79Å; M289-K293 HydrophobicContact CG-CG 3.89Å; M289-K293 WeakPolarHBondContact O-CB 3.13Å; M289-K293 WeakPolarHBondContact O-CG 3.47Å; M289-K293 PolarHBondContact O-N 3.44Å; M289-K293 HydrophobicContact SD-CB 4.14Å; M289-K293 HydrophobicContact SD-CG 3.55Å; M289-K293 VanDerWaalsContact SD-CG 3.55Å; K293-I295 VanDerWaalsContact C-N 3.31Å; K293-I295 PolarHBondContact O-N 3.37Å
294S91.6Very high96Very high98 Ų9839.9 Ų39.969%0.68522%0.216SC*.THydrogen-bonded Turntrans-77.3-14-174.453.50000114.1S292 I296S292-S294 PolarHBondContact O-N 2.73Å; S294-I296 PolarHBondContact O-N 3.35Å
295I94.8Very high95.8Very high44 Ų4437.7 Ų37.723%0.22620%0.204CC..THydrogen-bonded Turntrans-79.6-16.3-165.280.5-168.1000114.4P144 N145 Y184 F246 D291 S292 K293P144-I295 HydrophobicContact CB-CD1 3.75Å; P144-I295 HydrophobicContact CG-CD1 3.91Å; N145-I295 HydrophobicContact CB-CD1 3.95Å; N145-I295 HydrophobicContact CB-CG2 4.19Å; N145-I295 WeakPolarHBondContact OD1-CD1 3.4Å; Y184-I295 HydrophobicContact CD2-CG1 4.27Å; Y184-I295 HydrophobicContact CE2-CB 4.37Å; Y184-I295 HydrophobicContact CE2-CG1 4.31Å; F246-I295 HydrophobicContact CE2-CD1 4.27Å; F246-I295 HydrophobicContact CE2-CG1 4.27Å; D291-I295 VanDerWaalsContact O-CG2 3.23Å; D291-I295 WeakPolarHBondContact O-CG2 3.47Å; S292-I295 WeakPolarHBondContact O-CD1 3.34Å; S292-I295 VanDerWaalsContact O-CG1 3.28Å; S292-I295 WeakPolarHBondContact O-CG1 3.45Å; K293-I295 VanDerWaalsContact C-N 3.31Å; K293-I295 PolarHBondContact O-N 3.37Å
296I95.3Very high95.4Very high13 Ų1345.2 Ų45.27%0.06724%0.244CC..  trans-141.2133.7165.754.3174.5000110K180 M183 Y184 F246 S294 T298K180-I296 HydrophobicContact CB-CD1 4Å; M183-I296 HydrophobicContact CB-CD1 4.41Å; Y184-I296 HydrophobicContact CD2-CG2 3.72Å; Y184-I296 HydrophobicContact CG-CG2 4.19Å; F246-I296 HydrophobicContact CE2-CD1 4.47Å; F246-I296 HydrophobicContact CE2-CG1 4.16Å; F246-I296 HydrophobicContact CZ-CD1 3.83Å; F246-I296 HydrophobicContact CZ-CG1 4Å; S294-I296 PolarHBondContact O-N 3.35Å; I296-T298 HydrophobicContact CD1-CG2 3.76Å; I296-T298 HydrophobicContact CG1-CG2 4.13Å
297D96.4Very high95Very high48 Ų4845.3 Ų45.326%0.25725%0.246SC..  trans-80.4119.8155.1-162.1-16.1000109.5K187 R252 L299 E300K187-D297 PolarHBondContact NZ-O 2.92Å; R252-D297 IonicContact CZ-OD1 3.5Å; R252-D297 IonicContact CZ-OD2 2.76Å; R252-D297 IonicContact NH1-OD1 3.48Å; R252-D297 PolarHBondContact NH1-OD1 2.87Å; R252-D297 IonicContact NH1-OD2 2.68Å; R252-D297 PolarHBondContact NH1-OD2 2.85Å; R252-D297 IonicContact NH2-OD1 2.72Å; R252-D297 PolarHBondContact NH2-OD1 2.98Å; R252-D297 IonicContact NH2-OD2 2.72Å; D297-L299 WeakPolarHBondContact OD1-CB 3.42Å; D297-L299 PolarHBondContact OD1-N 2.65Å; D297-E300 HydrophobicContact CB-CB 4.46Å; D297-E300 HydrophobicContact CB-CG 4.27Å
298T96.2Very high94.9Very high4 Ų443 Ų433%0.02524%0.235CC..SBendtrans-88.1-12.7174.4470000113.9M183 L208 I296 E300 V357 W361M183-T298 HydrophobicContact CE-CG2 4.28Å; M183-T298 HydrophobicContact SD-CG2 4.45Å; L208-T298 HydrophobicContact CD2-CG2 4.36Å; L208-T298 VanDerWaalsContact O-CB 3.24Å; L208-T298 WeakPolarHBondContact O-CB 3.47Å; L208-T298 PolarHBondContact O-OG1 3.28Å; I296-T298 HydrophobicContact CD1-CG2 3.76Å; I296-T298 HydrophobicContact CG1-CG2 4.13Å; T298-E300 PolarHBondContact O-N 3.43Å; T298-V357 WeakPolarHBondContact O-CG1 3.44Å; T298-W361 WeakPolarHBondContact O-CZ2 3.34Å; T298-W361 PolarHBondContact O-NE1 2.79Å
299L96Very high94.8Very high44 Ų4443.3 Ų43.323%0.2324%0.236CC..SBendtrans-71.3-21.6172.1-56.9-172.8000111.7R252 L253 D297 V357 W361R252-L299 HydrophobicContact CB-CD1 4.13Å; L253-L299 HydrophobicContact CD1-CD2 4.4Å; L253-L299 HydrophobicContact CD2-CD2 4.07Å; L253-L299 HydrophobicContact CG-CD2 4.39Å; D297-L299 WeakPolarHBondContact OD1-CB 3.42Å; D297-L299 PolarHBondContact OD1-N 2.65Å; L299-V357 HydrophobicContact CD2-CG1 3.66Å; L299-V357 HydrophobicContact CD2-CG2 4.16Å; L299-W361 PolarHBondContact O-NE1 3.12Å
300E95.4Very high94.7Very high112 Ų11242.5 Ų42.552%0.52323%0.232SC..SBendtrans-95.2129.9178.1-73.6-177.315700113.1K187 D297 T298K187-E300 PolarHBondContact NZ-O 2.83Å; K187-E300 IonicContact NZ-OE2 2.76Å; K187-E300 PolarHBondContact NZ-OE2 3.45Å; D297-E300 HydrophobicContact CB-CB 4.46Å; D297-E300 HydrophobicContact CB-CG 4.27Å; T298-E300 PolarHBondContact O-N 3.43Å
301K95.3Very high94.7Very high49 Ų4940.6 Ų40.621%0.21322%0.219CC..PPolyproline II helixtrans-57.1140.5169.3-165.4-171.6176.8-177.80111.3S303 I308 W361 P362K301-S303 PolarHBondContact O-N 3.06Å; K301-I308 HydrophobicContact CD-CD1 4.34Å; K301-I308 HydrophobicContact CG-CD1 3.83Å; K301-W361 HydrophobicContact CB-CB 3.79Å; K301-W361 HydrophobicContact CB-CD2 3.94Å; K301-W361 HydrophobicContact CB-CE3 4.29Å; K301-W361 HydrophobicContact CB-CG 3.7Å; K301-W361 HydrophobicContact CD-CB 4.3Å; K301-W361 HydrophobicContact CG-CB 4Å; K301-W361 HydrophobicContact CG-CD2 4.15Å; K301-W361 HydrophobicContact CG-CE3 3.99Å; K301-W361 HydrophobicContact CG-CG 4.17Å; K301-P362 WeakPolarHBondContact CD-O 3.25Å; K301-P362 PolarHBondContact NZ-O 2.77Å
302P95.9Very high94.7Very high1 Ų138.7 Ų38.71%0.00621%0.209CC..PPolyproline II helixtrans-56129.3162.6-2434.4000111.4M183 L186 F201 I305 I308M183-P302 HydrophobicContact CB-CG 4.48Å; M183-P302 HydrophobicContact CE-CG 4.42Å; M183-P302 HydrophobicContact CG-CG 4Å; L186-P302 HydrophobicContact CB-CB 4.17Å; F201-P302 HydrophobicContact CD1-CG 4.45Å; P302-I305 HydrophobicContact CB-CD1 4.14Å; P302-I308 HydrophobicContact CB-CD1 3.95Å; P302-I308 HydrophobicContact CG-CD1 4.02Å
303S94.8Very high94.6Very high64 Ų6438.7 Ų38.745%0.44821%0.209SC..SBendtrans-74.2161.1-179.374.20000112.3K194 K301 I305K194-S303 PolarHBondContact NZ-O 2.7Å; K194-S303 PolarHBondContact NZ-OG 3.31Å; K301-S303 PolarHBondContact O-N 3.06Å; S303-I305 VanDerWaalsContact C-N 3.34Å; S303-I305 PolarHBondContact O-N 2.76Å
304D95.4Very high94.6Very high53 Ų5336.8 Ų36.828%0.28320%0.201SC..SBendtrans5841.1168.6-44.4-73.5000114.3K191 K194K191-D304 HydrophobicContact CB-CB 4.28Å; K191-D304 VanDerWaalsContact CD-OD1 3.3Å; K191-D304 WeakPolarHBondContact CD-OD1 3.38Å; K191-D304 WeakPolarHBondContact CE-OD1 3.5Å; K191-D304 HydrophobicContact CG-CB 3.93Å; K191-D304 IonicContact NZ-OD1 3.16Å; K191-D304 PolarHBondContact NZ-OD1 3.42Å; K194-D304 IonicContact NZ-OD2 2.73Å
305I94.2Very high94.8Very high12 Ų1237.3 Ų37.36%0.06220%0.196CC..  trans-136.9117.8168.7-45.6174.9000106.6L186 K194 I198 F201 P302 S303 E307 I308L186-I305 HydrophobicContact CB-CD1 4.27Å; L186-I305 HydrophobicContact CD1-CD1 3.64Å; L186-I305 HydrophobicContact CD2-CD1 3.86Å; L186-I305 HydrophobicContact CG-CD1 4.12Å; K194-I305 HydrophobicContact CD-CG1 4.29Å; I198-I305 HydrophobicContact CG2-CD1 4.27Å; I198-I305 HydrophobicContact CG2-CG1 4.5Å; I198-I305 HydrophobicContact CG2-CG2 4.07Å; F201-I305 HydrophobicContact CB-CD1 4.22Å; P302-I305 HydrophobicContact CB-CD1 4.14Å; S303-I305 VanDerWaalsContact C-N 3.34Å; S303-I305 PolarHBondContact O-N 2.76Å; I305-E307 VanDerWaalsContact CG2-O 3.31Å; I305-E307 WeakPolarHBondContact CG2-O 3.13Å; I305-I308 HydrophobicContact CB-CD1 4.19Å; I305-I308 HydrophobicContact CB-CG1 4.04Å; I305-I308 HydrophobicContact CD1-CD1 4.13Å; I305-I308 HydrophobicContact CG2-CG1 4.1Å
306D88.9Confident94.9Very high157 Ų15737 Ų3784%0.8420%0.195SC*.SBendtrans-60.3-54.3-170.8-63.6-25.4000111.4
307E89.9Confident94.9Very high58 Ų5840.8 Ų40.827%0.27122%0.222SC..  trans-108.7136174.3-55.9-161.4141.300110.3T200 I305 Y309 K365T200-E307 WeakPolarHBondContact CB-O 3.41Å; T200-E307 VanDerWaalsContact OG1-C 3.29Å; T200-E307 PolarHBondContact OG1-O 2.89Å; I305-E307 VanDerWaalsContact CG2-O 3.31Å; I305-E307 WeakPolarHBondContact CG2-O 3.13Å; E307-Y309 HydrophobicContact CB-CD2 4.46Å; E307-Y309 HydrophobicContact CB-CE2 3.77Å; E307-Y309 WeakPolarHBondContact OE2-CE2 3.46Å; E307-Y309 PolarHBondContact OE2-OH 3.35Å; E307-K365 VanDerWaalsContact CD-CE 3.48Å; E307-K365 WeakPolarHBondContact OE1-CE 3.43Å; E307-K365 IonicContact OE1-NZ 3.6Å; E307-K365 PolarHBondContact OE1-NZ 2.89Å
308I95.2Very high94.9Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-130131.8165.2-63.1-172.9000106.8F201 K301 P302 I305 W361 I364 K365F201-I308 HydrophobicContact CB-CD1 4.49Å; F201-I308 HydrophobicContact CB-CG1 4.27Å; F201-I308 HydrophobicContact CB-CG2 4.3Å; F201-I308 HydrophobicContact CD1-CG2 3.89Å; F201-I308 WeakPolarHBondContact O-CA 3.35Å; F201-I308 WeakPolarHBondContact O-CG2 2.84Å; K301-I308 HydrophobicContact CD-CD1 4.34Å; K301-I308 HydrophobicContact CG-CD1 3.83Å; P302-I308 HydrophobicContact CB-CD1 3.95Å; P302-I308 HydrophobicContact CG-CD1 4.02Å; I305-I308 HydrophobicContact CB-CD1 4.19Å; I305-I308 HydrophobicContact CB-CG1 4.04Å; I305-I308 HydrophobicContact CD1-CD1 4.13Å; I305-I308 HydrophobicContact CG2-CG1 4.1Å; I308-W361 HydrophobicContact CG2-CE3 4.43Å; I308-W361 HydrophobicContact CG2-CZ3 4.15Å; I308-I364 HydrophobicContact CB-CD1 4.16Å; I308-I364 HydrophobicContact CG2-CD1 3.86Å; I308-I364 VanDerWaalsContact O-CD1 3.22Å; I308-I364 WeakPolarHBondContact O-CD1 3.33Å; I308-K365 PolarHBondContact O-N 3.39Å
309Y94.9Very high94.9Very high8 Ų839.3 Ų39.33%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-100.8127.9179-67.2-112000108.3T200 F201 S203 E307 K365 F367 I389T200-Y309 HydrophobicContact CG2-CD2 4.22Å; T200-Y309 HydrophobicContact CG2-CE2 4.42Å; T200-Y309 WeakPolarHBondContact OG1-CD2 3.37Å; F201-Y309 PolarHBondContact O-N 3.37Å; S203-Y309 WeakPolarHBondContact CB-O 3.46Å; S203-Y309 PolarHBondContact N-O 3.11Å; E307-Y309 HydrophobicContact CB-CD2 4.46Å; E307-Y309 HydrophobicContact CB-CE2 3.77Å; E307-Y309 WeakPolarHBondContact OE2-CE2 3.46Å; E307-Y309 PolarHBondContact OE2-OH 3.35Å; Y309-K365 CarbonylContact C-O 3.59Å; Y309-K365 WeakPolarHBondContact CA-O 3.3Å; Y309-K365 HydrophobicContact CD1-CB 3.75Å; Y309-K365 HydrophobicContact CD1-CG 4.34Å; Y309-K365 HydrophobicContact CD2-CB 4.33Å; Y309-K365 HydrophobicContact CD2-CG 4.32Å; Y309-K365 HydrophobicContact CE1-CB 3.9Å; Y309-K365 HydrophobicContact CE1-CG 4.09Å; Y309-K365 HydrophobicContact CE2-CB 4.45Å; Y309-K365 HydrophobicContact CE2-CG 4.06Å; Y309-K365 HydrophobicContact CG-CB 3.94Å; Y309-K365 HydrophobicContact CG-CG 4.41Å; Y309-F367 HydrophobicContact CD1-CD2 4.3Å; Y309-F367 AromaticContact CD1-CE2 3.64Å; Y309-F367 HydrophobicContact CD1-CE2 3.64Å; Y309-F367 HydrophobicContact CE1-CE2 4.01Å; Y309-I389 HydrophobicContact CE1-CB 4.19Å; Y309-I389 HydrophobicContact CE1-CG2 4.48Å; Y309-I389 HydrophobicContact CE2-CB 4.39Å; Y309-I389 HydrophobicContact CE2-CD1 4.33Å
310C96Very high94.9Very high3 Ų338.7 Ų38.72%0.0221%0.212CC..EExtended strand (participates in β ladder)trans-117.8117.6173.4-176.70000108C358 I364 K365 Y366 F367C310-C358 HydrophobicContact CB-CB 3.58Å; C310-C358 WeakPolarHBondContact CB-SG 3.26Å; C310-C358 WeakPolarHBondContact SG-CB 3.44Å; C310-C358 CovalentContact SG-SG 2.03Å; C310-C358 PolarHBondContact SG-SG 3.15Å; C310-I364 HydrophobicContact CB-CD1 3.53Å; C310-I364 HydrophobicContact CB-CG1 3.76Å; C310-K365 PolarHBondContact N-O 3.27Å; C310-Y366 HydrophobicContact CB-CD2 4.29Å; C310-F367 PolarHBondContact O-N 3.29Å
311I95.7Very high95Very high1 Ų135.5 Ų35.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-135.7121-165.1-47.9-170.9000107.9V202 S203 L204 S205 F367 L369 V391V202-I311 HydrophobicContact CG1-CD1 4.01Å; S203-I311 PolarHBondContact O-N 3.05Å; L204-I311 CarbonylContact C-O 3.44Å; L204-I311 WeakPolarHBondContact CA-O 3.45Å; L204-I311 HydrophobicContact CD1-CB 3.97Å; L204-I311 HydrophobicContact CD1-CG2 3.97Å; S205-I311 PolarHBondContact N-O 2.65Å; I311-F367 WeakPolarHBondContact CA-O 3.14Å; I311-F367 HydrophobicContact CD1-CD2 4.42Å; I311-F367 HydrophobicContact CG1-CB 4.23Å; I311-F367 HydrophobicContact CG1-CD2 4.21Å; I311-F367 HydrophobicContact CG2-CB 4.22Å; I311-L369 HydrophobicContact CG2-CD1 3.67Å; I311-L369 HydrophobicContact CG2-CG 4.17Å; I311-V391 HydrophobicContact CD1-CB 3.92Å; I311-V391 HydrophobicContact CD1-CG1 3.8Å; I311-V391 HydrophobicContact CD1-CG2 3.64Å
312H95.8Very high95.1Very high1 Ų133.2 Ų33.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-150.3161.7-177.866.177.8000114L355 Y366 F367 L369H312-L355 HydrophobicContact CB-CB 4.22Å; H312-L355 HydrophobicContact CB-CD1 4.13Å; H312-L355 HydrophobicContact CB-CD2 3.91Å; H312-L355 HydrophobicContact CB-CG 4.3Å; H312-Y366 AromaticContact CD2-CE2 3.77Å; H312-Y366 PolarHBondContact CE1-OH 3.29Å; H312-Y366 VanDerWaalsContact CE1-OH 3.26Å; H312-Y366 AromaticContact NE2-CE2 3.28Å; H312-Y366 VanDerWaalsContact NE2-CE2 3.28Å; H312-Y366 WeakPolarHBondContact NE2-CE2 3.25Å; H312-Y366 AromaticContact NE2-CZ 3.41Å; H312-Y366 PolarHBondContact NE2-OH 2.96Å; H312-F367 PolarHBondContact N-O 3.16Å; H312-L369 PolarHBondContact O-N 3.03Å
313G93.4Very high95.2Very high0 Ų036 Ų360%020%0.2CC..EExtended strand (participates in β ladder)trans-70.8160.4171.700000113.1S205 L369 A372S205-G313 PolarHBondContact OG-N 3.34Å; G313-L369 WeakPolarHBondContact CA-O 3.14Å; G313-A372 WeakPolarHBondContact CA-O 3.43Å
314A95.3Very high95.4Very high3 Ų333.1 Ų33.13%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-157.6170.6173.100000111.4L316 G346 L352 V368 L369 P370 G371A314-L316 VanDerWaalsContact C-N 3.27Å; A314-L316 PolarHBondContact O-N 2.79Å; A314-G346 CarbonylContact C-O 3.57Å; A314-G346 VanDerWaalsContact C-O 3.28Å; A314-G346 VanDerWaalsContact CA-O 3.26Å; A314-G346 WeakPolarHBondContact CA-O 3.46Å; A314-L352 HydrophobicContact CB-CD1 4.25Å; A314-V368 HydrophobicContact CB-CG1 3.37Å; A314-L369 PolarHBondContact N-O 2.96Å; A314-P370 WeakPolarHBondContact O-CA 3.5Å; A314-G371 PolarHBondContact O-N 3.45Å
315N96.2Very high95.4Very high109 Ų10932.6 Ų32.658%0.58318%0.181SC*.SBendtrans62.332.1177.7-59.1-13.9000113.6N345 G346N315-N345 WeakPolarHBondContact CA-OD1 3.48Å; N315-N345 PolarHBondContact N-OD1 3.44Å; N315-N345 PolarHBondContact OD1-ND2 3.4Å; N315-G346 PolarHBondContact N-O 2.83Å
316L95.6Very high95.5Very high38 Ų3835.9 Ų35.920%0.19920%0.202CC..EExtended strand (participates in β ladder)trans-113.9157.6168.4-64.1168.9000110.3A314 T318 G346 A372 E373A314-L316 VanDerWaalsContact C-N 3.27Å; A314-L316 PolarHBondContact O-N 2.79Å; L316-T318 PolarHBondContact O-N 3.29Å; L316-G346 WeakPolarHBondContact CB-O 3.2Å; L316-G346 PolarHBondContact N-O 2.71Å; L316-G346 PolarHBondContact O-N 2.73Å; L316-A372 VanDerWaalsContact CD1-O 3.27Å; L316-A372 WeakPolarHBondContact CD1-O 3.29Å; L316-E373 VanDerWaalsContact CD1-CA 3.47Å; L316-E373 HydrophobicContact CD1-CB 4.05Å; L316-E373 HydrophobicContact CD1-CG 3.55Å; L316-E373 HydrophobicContact CD2-CG 4.38Å
317S96.2Very high95.7Very high91 Ų9132.6 Ų32.664%0.63619%0.19SC*.EExtended strand (participates in β ladder)trans-76.9100.5178.1169.10000110.2P343S317-P343 VanDerWaalsContact OG-CB 3.29Å; S317-P343 WeakPolarHBondContact OG-CB 3.49Å
318T96.9Very high95.8Very high2 Ų233.8 Ų33.81%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-103.6144.6171.7-54.20000110.4L316 D320 P343 G344 G346 D347 G348 V350L316-T318 PolarHBondContact O-N 3.29Å; T318-D320 PolarHBondContact O-N 3.16Å; T318-D320 VanDerWaalsContact O-N 3.13Å; T318-P343 CarbonylContact O-C 3.55Å; T318-P343 WeakPolarHBondContact O-CA 3.37Å; T318-G344 PolarHBondContact N-O 2.98Å; T318-G344 PolarHBondContact O-N 2.95Å; T318-G346 VanDerWaalsContact OG1-CA 3.27Å; T318-G346 WeakPolarHBondContact OG1-CA 3.28Å; T318-D347 PolarHBondContact OG1-N 2.84Å; T318-G348 WeakPolarHBondContact OG1-CA 3.38Å; T318-G348 PolarHBondContact OG1-N 2.72Å; T318-V350 PolarHBondContact OG1-O 2.87Å; T318-V350 VanDerWaalsContact OG1-O 3.12Å
319T96.2Very high95.6Very high19 Ų1943 Ų4312%0.11724%0.239CC..EExtended strand (participates in β ladder)trans-54.7115.5166.8-51.70000111.4V212 M322 L341V212-T319 HydrophobicContact CB-CG2 4.4Å; V212-T319 HydrophobicContact CG1-CG2 4.03Å; T319-M322 HydrophobicContact CG2-CG 4.11Å; T319-L341 HydrophobicContact CG2-CB 4.31Å; T319-L341 HydrophobicContact CG2-CD2 4.06Å
320D95.9Very high95.1Very high31 Ų3151.5 Ų51.517%0.16628%0.276CS..EExtended strand (participates in β ladder)trans-100.6-32.5169.8-171.571.2000111.2V212 T318 I342V212-D320 WeakPolarHBondContact CG2-O 3.24Å; T318-D320 PolarHBondContact O-N 3.16Å; T318-D320 VanDerWaalsContact O-N 3.13Å; D320-I342 PolarHBondContact N-O 2.93Å
321K97.9Very high94.4Very high46 Ų4654.4 Ų54.420%0.229%0.289CS..EExtended strand (participates in β ladder)trans-143.6160.2178.1-55.6179.5177.8175.20111.5E258 P259 L260 I342E258-K321 IonicContact OE1-NZ 2.76Å; E258-K321 PolarHBondContact OE1-NZ 3.5Å; P259-K321 WeakPolarHBondContact O-CD 3.29Å; P259-K321 VanDerWaalsContact O-CE 3.26Å; P259-K321 WeakPolarHBondContact O-CE 3.46Å; L260-K321 CarbonylContact O-C 3.57Å; L260-K321 WeakPolarHBondContact O-CA 3.4Å; K321-I342 HydrophobicContact CB-CB 4.08Å; K321-I342 HydrophobicContact CB-CG1 4.39Å; K321-I342 PolarHBondContact N-O 3.43Å; K321-I342 PolarHBondContact O-N 2.74Å
322M97.8Very high94.1Very high0 Ų055.9 Ų55.90%031%0.305CS..EExtended strand (participates in β ladder)trans-122.5134.1174.2-70.1179.5-83.800110.7V212 L215 K216 L260 I261 I262 T319 Y324 P339 L341V212-M322 HydrophobicContact CG1-CE 3.95Å; L215-M322 HydrophobicContact CB-CE 3.47Å; L215-M322 VanDerWaalsContact CB-CE 3.47Å; K216-M322 WeakPolarHBondContact CA-SD 3.44Å; K216-M322 HydrophobicContact CB-CE 4.15Å; K216-M322 HydrophobicContact CB-SD 3.47Å; K216-M322 WeakPolarHBondContact CB-SD 3.46Å; K216-M322 HydrophobicContact CG-SD 3.95Å; K216-M322 VanDerWaalsContact N-CE 3.31Å; L260-M322 PolarHBondContact O-N 3.09Å; I261-M322 HydrophobicContact CD1-CE 4.15Å; I261-M322 HydrophobicContact CG1-CE 3.76Å; I262-M322 PolarHBondContact N-O 2.8Å; T319-M322 HydrophobicContact CG2-CG 4.11Å; M322-Y324 HydrophobicContact CB-CD2 4.46Å; M322-Y324 HydrophobicContact CB-CE2 3.96Å; M322-Y324 HydrophobicContact SD-CE2 4.38Å; M322-P339 HydrophobicContact CB-CB 3.99Å; M322-P339 HydrophobicContact CB-CG 4.16Å; M322-P339 HydrophobicContact CG-CB 4.36Å; M322-P339 HydrophobicContact CG-CG 4.02Å; M322-P339 HydrophobicContact SD-CG 3.81Å; M322-L341 HydrophobicContact CG-CD2 3.85Å; M322-L341 HydrophobicContact SD-CD2 4.49Å
323I98Very high93.9Very high60 Ų6057 Ų5731%0.30832%0.317SS..EExtended strand (participates in β ladder)trans-114121.7172.5-53.5-172.8000109.2I262 P339 T340 I342I262-I323 HydrophobicContact CB-CG1 4.23Å; I262-I323 HydrophobicContact CD1-CD1 4.48Å; I262-I323 HydrophobicContact CD1-CG1 4.28Å; I262-I323 HydrophobicContact CG2-CG2 4.29Å; I323-P339 WeakPolarHBondContact O-CA 3.36Å; I323-P339 WeakPolarHBondContact O-CB 3.02Å; I323-T340 PolarHBondContact N-O 3.06Å; I323-T340 PolarHBondContact O-N 3.45Å; I323-I342 HydrophobicContact CD1-CD1 3.77Å; I323-I342 HydrophobicContact CD1-CG1 3.88Å; I323-I342 HydrophobicContact CG1-CD1 4.12Å; I323-I342 HydrophobicContact CG1-CG1 3.84Å
324Y97.6Very high94Very high3 Ų359 Ų591%0.01233%0.325CS..PPolyproline II helixtrans-97.9126.6173.2-72.5-97.9000109.3A219 S220 I261 I262 T263 P264 M322 F334 Q337 P339A219-Y324 WeakPolarHBondContact CB-OH 3.24Å; S220-Y324 WeakPolarHBondContact OG-CE1 3.39Å; S220-Y324 PolarHBondContact OG-OH 2.97Å; I261-Y324 HydrophobicContact CG2-CD2 3.71Å; I261-Y324 HydrophobicContact CG2-CE2 3.74Å; I262-Y324 PolarHBondContact O-N 3.41Å; T263-Y324 HydrophobicContact CG2-CD2 4.31Å; T263-Y324 HydrophobicContact CG2-CG 4.42Å; P264-Y324 WeakPolarHBondContact CD-O 3.28Å; M322-Y324 HydrophobicContact CB-CD2 4.46Å; M322-Y324 HydrophobicContact CB-CE2 3.96Å; M322-Y324 HydrophobicContact SD-CE2 4.38Å; Y324-F334 HydrophobicContact CD1-CB 3.94Å; Y324-F334 AromaticContact CD1-CD2 3.63Å; Y324-F334 HydrophobicContact CD1-CD2 3.63Å; Y324-F334 HydrophobicContact CD1-CG 4.28Å; Y324-F334 AromaticContact CD2-CD2 3.75Å; Y324-F334 HydrophobicContact CD2-CD2 3.75Å; Y324-F334 HydrophobicContact CD2-CE2 4.29Å; Y324-F334 AromaticContact CE1-CD2 3.73Å; Y324-F334 HydrophobicContact CE1-CD2 3.73Å; Y324-F334 HydrophobicContact CE1-CE2 4.47Å; Y324-F334 AromaticContact CE2-CD2 3.83Å; Y324-F334 HydrophobicContact CE2-CD2 3.83Å; Y324-F334 HydrophobicContact CE2-CE2 4.05Å; Y324-F334 HydrophobicContact CG-CB 4.08Å; Y324-F334 AromaticContact CG-CD2 3.66Å; Y324-F334 HydrophobicContact CG-CD2 3.66Å; Y324-F334 HydrophobicContact CG-CG 4.33Å; Y324-F334 AromaticContact CZ-CD2 3.84Å; Y324-Q337 HydrophobicContact CD1-CG 3.47Å; Y324-Q337 VanDerWaalsContact CD1-CG 3.47Å; Y324-Q337 HydrophobicContact CE1-CG 3.97Å; Y324-P339 HydrophobicContact CD1-CB 4.15Å; Y324-P339 HydrophobicContact CD2-CB 3.87Å; Y324-P339 HydrophobicContact CE1-CB 3.89Å; Y324-P339 HydrophobicContact CE1-CG 4.11Å; Y324-P339 HydrophobicContact CE2-CB 3.59Å; Y324-P339 HydrophobicContact CE2-CG 3.94Å; Y324-P339 HydrophobicContact CG-CB 4.14Å; Y324-P339 WeakPolarHBondContact OH-CG 3.23Å
325S96.1Very high94Very high43 Ų4359.5 Ų59.530%0.30133%0.328SS..PPolyproline II helixtrans-82.8160.7-178.9-68.80000111.5Q337S325-Q337 PolarHBondContact O-NE2 3.44Å
326P95.9Very high93.9Very high80 Ų8058.3 Ų58.352%0.51932%0.322SS..PPolyproline II helixtrans-54.9143.1167.1-23.233.9000111.7P264 H331P264-P326 HydrophobicContact CB-CG 4.23Å; P264-P326 HydrophobicContact CG-CB 4.23Å; P264-P326 HydrophobicContact CG-CG 3.88Å; P326-H331 PolarHBondContact O-CE1 3.02Å; P326-H331 VanDerWaalsContact O-CE1 3.23Å
327P93.4Very high93.8Very high89 Ų8957 Ų5758%0.57831%0.314SS*.PPolyproline II helixtrans-58.8145.1174.125.9-34.2000110.8
328N91.7Very high93.7Very high83 Ų8356.1 Ų56.144%0.44431%0.305SS..  trans-148-169.8173.962.561.2000110.1F330 H331N328-F330 PolarHBondContact O-N 3.44Å; N328-F330 PolarHBondContact OD1-N 2.94Å; N328-H331 PolarHBondContact N-O 3.26Å; N328-H331 VanDerWaalsContact N-O 3.07Å; N328-H331 PolarHBondContact ND2-CE1 3.42Å; N328-H331 VanDerWaalsContact ND2-CE1 3.25Å; N328-H331 PolarHBondContact ND2-NE2 3.27Å; N328-H331 VanDerWaalsContact O-O 3.06Å; N328-H331 PolarHBondContact OD1-N 3.44Å
329F90.3Very high93.6Very high194 Ų19456.4 Ų56.485%0.85131%0.307SS*.SBendtrans-61.6-24.7-177-170.8-97.9000114.3
330F84.6Confident93.5Very high185 Ų18559.3 Ų59.381%0.81133%0.325SS*.SBendtrans-100.7-20.8-174.4-57.7-72.3000114.3N328N328-F330 PolarHBondContact O-N 3.44Å; N328-F330 PolarHBondContact OD1-N 2.94Å
331H82.8Confident93.5Very high65 Ų6561.2 Ų61.230%0.30134%0.335SS..SBendtrans-150.6151.5178.764.674.6000113.6P326 N328 Q337P326-H331 PolarHBondContact O-CE1 3.02Å; P326-H331 VanDerWaalsContact O-CE1 3.23Å; N328-H331 PolarHBondContact N-O 3.26Å; N328-H331 VanDerWaalsContact N-O 3.07Å; N328-H331 PolarHBondContact ND2-CE1 3.42Å; N328-H331 VanDerWaalsContact ND2-CE1 3.25Å; N328-H331 PolarHBondContact ND2-NE2 3.27Å; N328-H331 VanDerWaalsContact O-O 3.06Å; N328-H331 PolarHBondContact OD1-N 3.44Å; H331-Q337 HydrophobicContact CB-CB 4.37Å
332G88Confident93.5Very high32 Ų3261.9 Ų61.933%0.3334%0.34SS..  trans-68.1-179.1176.800000114Q337G332-Q337 PolarHBondContact O-NE2 2.9Å; G332-Q337 VanDerWaalsContact O-NE2 3.07Å
333G92.1Very high93.4Very high25 Ų2565.8 Ų65.826%0.25837%0.365SS..SBendtrans-78.8-175.5172.300000112.1P335 D336 Q337G333-P335 CarbonylContact O-C 3.17Å; G333-D336 CarbonylContact O-C 3.6Å; G333-D336 PolarHBondContact O-N 2.68Å; G333-Q337 PolarHBondContact O-NE2 2.96Å
334F96.1Very high93.4Very high42 Ų4264.2 Ų64.218%0.18436%0.364CS..SBendtrans-66.7136.6163.2169.6-98.5000108.9A219 I261 T263 Y268 F276 D279 V280 Y324A219-F334 HydrophobicContact CB-CE2 4.33Å; I261-F334 HydrophobicContact CG2-CD2 4.45Å; I261-F334 HydrophobicContact CG2-CE2 3.91Å; T263-F334 HydrophobicContact CG2-CB 4Å; T263-F334 HydrophobicContact CG2-CD1 4.05Å; T263-F334 HydrophobicContact CG2-CD2 3.77Å; T263-F334 HydrophobicContact CG2-CE1 4.41Å; T263-F334 HydrophobicContact CG2-CE2 4.17Å; T263-F334 HydrophobicContact CG2-CG 3.69Å; T263-F334 HydrophobicContact CG2-CZ 4.45Å; Y268-F334 HydrophobicContact CD2-CZ 4.38Å; Y268-F334 AromaticContact CE2-CE1 3.76Å; Y268-F334 HydrophobicContact CE2-CE1 3.76Å; Y268-F334 AromaticContact CE2-CZ 3.78Å; Y268-F334 HydrophobicContact CE2-CZ 3.78Å; Y268-F334 AromaticContact CZ-CE1 3.89Å; F276-F334 HydrophobicContact CD2-CZ 4.01Å; F276-F334 HydrophobicContact CE2-CE2 4.31Å; F276-F334 HydrophobicContact CE2-CZ 4.04Å; D279-F334 HydrophobicContact CB-CE1 4.48Å; V280-F334 HydrophobicContact CG1-CE1 3.7Å; V280-F334 HydrophobicContact CG1-CE2 3.92Å; V280-F334 HydrophobicContact CG1-CZ 3.26Å; Y324-F334 HydrophobicContact CD1-CB 3.94Å; Y324-F334 AromaticContact CD1-CD2 3.63Å; Y324-F334 HydrophobicContact CD1-CD2 3.63Å; Y324-F334 HydrophobicContact CD1-CG 4.28Å; Y324-F334 AromaticContact CD2-CD2 3.75Å; Y324-F334 HydrophobicContact CD2-CD2 3.75Å; Y324-F334 HydrophobicContact CD2-CE2 4.29Å; Y324-F334 AromaticContact CE1-CD2 3.73Å; Y324-F334 HydrophobicContact CE1-CD2 3.73Å; Y324-F334 HydrophobicContact CE1-CE2 4.47Å; Y324-F334 AromaticContact CE2-CD2 3.83Å; Y324-F334 HydrophobicContact CE2-CD2 3.83Å; Y324-F334 HydrophobicContact CE2-CE2 4.05Å; Y324-F334 HydrophobicContact CG-CB 4.08Å; Y324-F334 AromaticContact CG-CD2 3.66Å; Y324-F334 HydrophobicContact CG-CD2 3.66Å; Y324-F334 HydrophobicContact CG-CG 4.33Å; Y324-F334 AromaticContact CZ-CD2 3.84Å
335P95.2Very high93.4Very high13 Ų1367.2 Ų67.28%0.08438%0.38CS..SBendcis-90.6-7.40.937.4-37.7000115A219 S220 V280 G333 Q337A219-P335 WeakPolarHBondContact O-CB 3.23Å; S220-P335 PolarHBondContact OG-O 3.46Å; V280-P335 HydrophobicContact CB-CB 3.99Å; V280-P335 HydrophobicContact CB-CG 4.03Å; V280-P335 HydrophobicContact CG1-CB 3.83Å; V280-P335 HydrophobicContact CG1-CG 4.32Å; G333-P335 CarbonylContact O-C 3.17Å; P335-Q337 PolarHBondContact O-N 2.95Å
336D94.5Very high93.5Very high84 Ų8465.1 Ų65.145%0.44937%0.366SS..SBendtrans-81.845.2-167-59.1-46.6000114.9R235 G333R235-D336 IonicContact CZ-OD1 3.17Å; R235-D336 IonicContact NH1-OD1 2.69Å; R235-D336 PolarHBondContact NH1-OD1 2.77Å; R235-D336 IonicContact NH2-OD1 2.68Å; R235-D336 PolarHBondContact NH2-OD1 3.33Å; G333-D336 CarbonylContact O-C 3.6Å; G333-D336 PolarHBondContact O-N 2.68Å
337Q93.4Very high93.5Very high9 Ų961.3 Ų61.34%0.04234%0.341CS..SBendtrans-142.6166.2170.366.8-178.4-82.400109.9S220 Y324 S325 H331 G332 G333 P335S220-Q337 WeakPolarHBondContact CB-O 3.27Å; S220-Q337 PolarHBondContact OG-O 3.15Å; Y324-Q337 HydrophobicContact CD1-CG 3.47Å; Y324-Q337 VanDerWaalsContact CD1-CG 3.47Å; Y324-Q337 HydrophobicContact CE1-CG 3.97Å; S325-Q337 PolarHBondContact O-NE2 3.44Å; H331-Q337 HydrophobicContact CB-CB 4.37Å; G332-Q337 PolarHBondContact O-NE2 2.9Å; G332-Q337 VanDerWaalsContact O-NE2 3.07Å; G333-Q337 PolarHBondContact O-NE2 2.96Å; P335-Q337 PolarHBondContact O-N 2.95Å
338V92.4Very high93.6Very high74 Ų7458.8 Ų58.845%0.44833%0.331SS..PPolyproline II helixtrans-86.5122.5167-178.10000108P231P231-V338 HydrophobicContact CB-CG2 4.49Å; P231-V338 HydrophobicContact CG-CG2 3.98Å
339P94.9Very high93.7Very high8 Ų855.8 Ų55.85%0.05232%0.316CS..PPolyproline II helixtrans-75.8156.9-178.830.3-35.8000112.7M322 I323 Y324 L341M322-P339 HydrophobicContact CB-CB 3.99Å; M322-P339 HydrophobicContact CB-CG 4.16Å; M322-P339 HydrophobicContact CG-CB 4.36Å; M322-P339 HydrophobicContact CG-CG 4.02Å; M322-P339 HydrophobicContact SD-CG 3.81Å; I323-P339 WeakPolarHBondContact O-CA 3.36Å; I323-P339 WeakPolarHBondContact O-CB 3.02Å; Y324-P339 HydrophobicContact CD1-CB 4.15Å; Y324-P339 HydrophobicContact CD2-CB 3.87Å; Y324-P339 HydrophobicContact CE1-CB 3.89Å; Y324-P339 HydrophobicContact CE1-CG 4.11Å; Y324-P339 HydrophobicContact CE2-CB 3.59Å; Y324-P339 HydrophobicContact CE2-CG 3.94Å; Y324-P339 HydrophobicContact CG-CB 4.14Å; Y324-P339 WeakPolarHBondContact OH-CG 3.23Å; P339-L341 HydrophobicContact CG-CD2 3.94Å; P339-L341 PolarHBondContact O-N 2.63Å
340T95.6Very high94.1Very high80 Ų8046.7 Ų46.749%0.49128%0.276SS..EExtended strand (participates in β ladder)trans-68.1121.1161.6-60.30000108.7I323 I342I323-T340 PolarHBondContact N-O 3.06Å; I323-T340 PolarHBondContact O-N 3.45Å; T340-I342 HydrophobicContact CG2-CD1 4.2Å
341L95.6Very high94.7Very high70 Ų7038 Ų3837%0.36624%0.238SC..EExtended strand (participates in β ladder)trans-87.7123.9178.5-51.6-177.7000109.5K216 T319 M322 P339K216-L341 HydrophobicContact CD-CD1 4.21Å; K216-L341 HydrophobicContact CD-CD2 3.9Å; K216-L341 HydrophobicContact CG-CD2 4.49Å; T319-L341 HydrophobicContact CG2-CB 4.31Å; T319-L341 HydrophobicContact CG2-CD2 4.06Å; M322-L341 HydrophobicContact CG-CD2 3.85Å; M322-L341 HydrophobicContact SD-CD2 4.49Å; P339-L341 HydrophobicContact CG-CD2 3.94Å; P339-L341 PolarHBondContact O-N 2.63Å
342I97.7Very high95.5Very high61 Ų6136.6 Ų36.631%0.31323%0.232SC..EExtended strand (participates in β ladder)trans-93.5119.8176.2-55.2-56.7000108.5D320 K321 I323 T340D320-I342 PolarHBondContact N-O 2.93Å; K321-I342 HydrophobicContact CB-CB 4.08Å; K321-I342 HydrophobicContact CB-CG1 4.39Å; K321-I342 PolarHBondContact N-O 3.43Å; K321-I342 PolarHBondContact O-N 2.74Å; I323-I342 HydrophobicContact CD1-CD1 3.77Å; I323-I342 HydrophobicContact CD1-CG1 3.88Å; I323-I342 HydrophobicContact CG1-CD1 4.12Å; I323-I342 HydrophobicContact CG1-CG1 3.84Å; T340-I342 HydrophobicContact CG2-CD1 4.2Å
343P96.4Very high95.9Very high82 Ų8239 Ų3953%0.53223%0.232SC..EExtended strand (participates in β ladder)trans-80.4139.7-174.932.5-35.6000112.4S317 T318S317-P343 VanDerWaalsContact OG-CB 3.29Å; S317-P343 WeakPolarHBondContact OG-CB 3.49Å; T318-P343 CarbonylContact O-C 3.55Å; T318-P343 WeakPolarHBondContact O-CA 3.37Å
344G96.8Very high96.2Very high27 Ų2737.9 Ų37.928%0.27822%0.22SC..EExtended strand (participates in β ladder)trans-125.4-174.4161.400000110.6T318T318-G344 PolarHBondContact N-O 2.98Å; T318-G344 PolarHBondContact O-N 2.95Å
345N97.8Very high96.3Very high65 Ų6535.9 Ų35.935%0.34821%0.211SC..EExtended strand (participates in β ladder)trans-80.9138.8177.7-166.4-12.5000111N315 L352N315-N345 WeakPolarHBondContact CA-OD1 3.48Å; N315-N345 PolarHBondContact N-OD1 3.44Å; N315-N345 PolarHBondContact OD1-ND2 3.4Å; N345-L352 HydrophobicContact CB-CB 4.38Å; N345-L352 HydrophobicContact CB-CD2 4.35Å; N345-L352 VanDerWaalsContact O-CB 3.31Å; N345-L352 WeakPolarHBondContact O-CB 3.45Å; N345-L352 PolarHBondContact O-N 2.76Å
346G97.8Very high96.5Very high0 Ų038.1 Ų38.10%022%0.22CC..EExtended strand (participates in β ladder)trans-178.2-149.5170.300000111.8A314 N315 L316 T318 V350A314-G346 CarbonylContact C-O 3.57Å; A314-G346 VanDerWaalsContact C-O 3.28Å; A314-G346 VanDerWaalsContact CA-O 3.26Å; A314-G346 WeakPolarHBondContact CA-O 3.46Å; N315-G346 PolarHBondContact N-O 2.83Å; L316-G346 WeakPolarHBondContact CB-O 3.2Å; L316-G346 PolarHBondContact N-O 2.71Å; L316-G346 PolarHBondContact O-N 2.73Å; T318-G346 VanDerWaalsContact OG1-CA 3.27Å; T318-G346 WeakPolarHBondContact OG1-CA 3.28Å; G346-V350 VanDerWaalsContact CA-O 3.26Å; G346-V350 WeakPolarHBondContact CA-O 3.31Å
347D96.4Very high96.7Very high0 Ų034.2 Ų34.20%020%0.199CC..SBendtrans-104.414.1177.766.25.4000114.1S205 T318 T349 V350 L355 E373 H374S205-D347 WeakPolarHBondContact CB-OD2 3.46Å; S205-D347 PolarHBondContact OG-OD2 2.88Å; T318-D347 PolarHBondContact OG1-N 2.84Å; D347-T349 PolarHBondContact OD1-N 3.32Å; D347-V350 PolarHBondContact N-O 3.22Å; D347-V350 VanDerWaalsContact N-O 3.11Å; D347-V350 PolarHBondContact OD1-N 2.77Å; D347-L355 HydrophobicContact CB-CD1 4.02Å; D347-E373 CarbonylContact O-C 3.57Å; D347-E373 WeakPolarHBondContact O-CA 3.37Å; D347-H374 HydrophobicContact CB-CB 4.31Å; D347-H374 VanDerWaalsContact CG-ND1 3.32Å; D347-H374 PolarHBondContact O-N 3.25Å; D347-H374 WeakPolarHBondContact OD1-CB 3.41Å; D347-H374 IonicContact OD1-CG 2.98Å; D347-H374 IonicContact OD1-ND1 3.55Å; D347-H374 PolarHBondContact OD1-ND1 3.38Å; D347-H374 IonicContact OD2-CE1 3.13Å; D347-H374 IonicContact OD2-CG 2.8Å; D347-H374 IonicContact OD2-ND1 2.65Å; D347-H374 PolarHBondContact OD2-ND1 3.01Å
348G94.8Very high96.9Very high35 Ų3533.8 Ų33.836%0.36120%0.197SC..SBendtrans96.7-32.3-176.300000114T318T318-G348 WeakPolarHBondContact OG1-CA 3.38Å; T318-G348 PolarHBondContact OG1-N 2.72Å
349T95.6Very high97.1Very high21 Ų2135 Ų3513%0.12920%0.197CC..SBendtrans-116.7-30179.3-76.90000112.8S211 K213 D347S211-T349 WeakPolarHBondContact CB-O 3.33Å; S211-T349 PolarHBondContact OG-O 3Å; K213-T349 HydrophobicContact CD-CG2 4.05Å; D347-T349 PolarHBondContact OD1-N 3.32Å
350V97.9Very high97.2Very high2 Ų242.9 Ų42.91%0.01223%0.225CC..SBendtrans-121.2139179-172.90000109.8P207 T318 G346 D347 S354 L355 H374P207-V350 HydrophobicContact CB-CG1 4.1Å; P207-V350 HydrophobicContact CB-CG2 3.85Å; T318-V350 PolarHBondContact OG1-O 2.87Å; T318-V350 VanDerWaalsContact OG1-O 3.12Å; G346-V350 VanDerWaalsContact CA-O 3.26Å; G346-V350 WeakPolarHBondContact CA-O 3.31Å; D347-V350 PolarHBondContact N-O 3.22Å; D347-V350 VanDerWaalsContact N-O 3.11Å; D347-V350 PolarHBondContact OD1-N 2.77Å; V350-S354 WeakPolarHBondContact CG1-OG 3.28Å; V350-L355 HydrophobicContact CB-CD1 4.35Å; V350-L355 HydrophobicContact CB-CD2 3.83Å; V350-L355 HydrophobicContact CB-CG 3.99Å; V350-L355 HydrophobicContact CG1-CD2 3.68Å; V350-L355 HydrophobicContact CG1-CG 3.7Å; V350-L355 HydrophobicContact CG2-CD2 4.48Å; V350-H374 WeakPolarHBondContact CG2-CE1 3.31Å
351S97.9Very high97.2Very high3 Ų339.4 Ų39.42%0.02120%0.203CC..BIsolated β-bridgetrans-75.6147.7179.364.60000110.7R353 S354 L355S351-R353 PolarHBondContact O-N 2.97Å; S351-R353 VanDerWaalsContact O-N 3.17Å; S351-S354 WeakPolarHBondContact O-CB 3.47Å; S351-S354 PolarHBondContact O-N 2.96Å; S351-L355 PolarHBondContact O-N 3.48Å; S351-L355 VanDerWaalsContact O-N 3.13Å
352L98.3Very high97.1Very high35 Ų3541 Ų4118%0.18322%0.218CC..Hα-helixtrans-54.5-39.8-178.8-175.762.7000111A314 N345 S354 L355 E356A314-L352 HydrophobicContact CB-CD1 4.25Å; N345-L352 HydrophobicContact CB-CB 4.38Å; N345-L352 HydrophobicContact CB-CD2 4.35Å; N345-L352 VanDerWaalsContact O-CB 3.31Å; N345-L352 WeakPolarHBondContact O-CB 3.45Å; N345-L352 PolarHBondContact O-N 2.76Å; L352-S354 PolarHBondContact O-N 3.37Å; L352-S354 VanDerWaalsContact O-N 3.15Å; L352-L355 PolarHBondContact O-N 2.9Å; L352-E356 HydrophobicContact CD1-CG 3.71Å; L352-E356 HydrophobicContact CG-CG 3.87Å; L352-E356 WeakPolarHBondContact O-CB 3.07Å; L352-E356 VanDerWaalsContact O-CG 3.24Å; L352-E356 WeakPolarHBondContact O-CG 3.45Å; L352-E356 PolarHBondContact O-N 2.9Å
353R97.4Very high96.9Very high84 Ų8441 Ų4132%0.31723%0.232SC..Hα-helixtrans-52.5-36175-162.6-165.2-53.1-153.35.6113.8L253 W254 E258 S351L253-R353 WeakPolarHBondContact O-CD 3.27Å; L253-R353 PolarHBondContact O-NH1 2.73Å; W254-R353 VanDerWaalsContact NE1-CZ 3.31Å; E258-R353 IonicContact OE1-CZ 3.37Å; E258-R353 IonicContact OE1-NH1 3.76Å; E258-R353 IonicContact OE1-NH2 3.59Å; E258-R353 PolarHBondContact OE1-NH2 2.84Å; E258-R353 IonicContact OE2-CZ 2.79Å; E258-R353 IonicContact OE2-NH1 3.23Å; E258-R353 PolarHBondContact OE2-NH1 2.84Å; E258-R353 IonicContact OE2-NH2 3.52Å; E258-R353 PolarHBondContact OE2-NH2 2.65Å; S351-R353 PolarHBondContact O-N 2.97Å; S351-R353 VanDerWaalsContact O-N 3.17Å
354S98.4Very high96.9Very high0 Ų038.5 Ų38.50%022%0.215CC..Hα-helixtrans-83.5-41.6-179.5169.30000112.3G209 G210 V350 S351 L352 E356 V357G209-S354 WeakPolarHBondContact CA-OG 3.3Å; G209-S354 PolarHBondContact N-O 3.46Å; G209-S354 PolarHBondContact N-OG 2.89Å; G210-S354 PolarHBondContact N-OG 3.25Å; G210-S354 VanDerWaalsContact N-OG 3.11Å; G210-S354 WeakPolarHBondContact O-CB 3.26Å; G210-S354 PolarHBondContact O-OG 3.23Å; V350-S354 WeakPolarHBondContact CG1-OG 3.28Å; S351-S354 WeakPolarHBondContact O-CB 3.47Å; S351-S354 PolarHBondContact O-N 2.96Å; L352-S354 PolarHBondContact O-N 3.37Å; L352-S354 VanDerWaalsContact O-N 3.15Å; S354-E356 VanDerWaalsContact C-N 3.32Å; S354-E356 PolarHBondContact O-N 2.87Å; S354-V357 VanDerWaalsContact O-CG2 3.31Å; S354-V357 WeakPolarHBondContact O-CG2 3.25Å
355L98.5Very high96.8Very high1 Ų141.1 Ų41.11%0.00522%0.218CC..Hα-helixtrans-62.9-40.1175-63.7170.1000111.6H312 D347 V350 S351 L352 V357 C358H312-L355 HydrophobicContact CB-CB 4.22Å; H312-L355 HydrophobicContact CB-CD1 4.13Å; H312-L355 HydrophobicContact CB-CD2 3.91Å; H312-L355 HydrophobicContact CB-CG 4.3Å; D347-L355 HydrophobicContact CB-CD1 4.02Å; V350-L355 HydrophobicContact CB-CD1 4.35Å; V350-L355 HydrophobicContact CB-CD2 3.83Å; V350-L355 HydrophobicContact CB-CG 3.99Å; V350-L355 HydrophobicContact CG1-CD2 3.68Å; V350-L355 HydrophobicContact CG1-CG 3.7Å; V350-L355 HydrophobicContact CG2-CD2 4.48Å; S351-L355 PolarHBondContact O-N 3.48Å; S351-L355 VanDerWaalsContact O-N 3.13Å; L352-L355 PolarHBondContact O-N 2.9Å; L355-V357 PolarHBondContact O-N 3.42Å; L355-C358 PolarHBondContact O-SG 2.97Å
356E98.2Very high96.7Very high59 Ų5940.9 Ų40.928%0.27621%0.213SC..G310 helixtrans-71.7-5.6-175.8-77.6-149.8159.900115.5L352 S354 C358 K359L352-E356 HydrophobicContact CD1-CG 3.71Å; L352-E356 HydrophobicContact CG-CG 3.87Å; L352-E356 WeakPolarHBondContact O-CB 3.07Å; L352-E356 VanDerWaalsContact O-CG 3.24Å; L352-E356 WeakPolarHBondContact O-CG 3.45Å; L352-E356 PolarHBondContact O-N 2.9Å; S354-E356 VanDerWaalsContact C-N 3.32Å; S354-E356 PolarHBondContact O-N 2.87Å; E356-C358 PolarHBondContact O-N 3.07Å; E356-C358 VanDerWaalsContact O-N 3.13Å; E356-K359 HydrophobicContact CB-CD 3.64Å; E356-K359 HydrophobicContact CB-CG 4.41Å; E356-K359 HydrophobicContact CG-CD 3.55Å; E356-K359 VanDerWaalsContact O-CB 3.26Å; E356-K359 WeakPolarHBondContact O-CB 3.21Å; E356-K359 WeakPolarHBondContact O-CG 3.18Å; E356-K359 PolarHBondContact O-N 3.38Å; E356-K359 IonicContact OE1-NZ 2.77Å; E356-K359 PolarHBondContact OE1-NZ 3.45Å; E356-K359 WeakPolarHBondContact OE2-CD 3.32Å; E356-K359 IonicContact OE2-NZ 3.84Å; E356-K359 PolarHBondContact OE2-NZ 2.84Å
357V98.4Very high96.4Very high2 Ų244.9 Ų44.91%0.01223%0.23CC..G310 helixtrans-50.8-40.5178.4166.90000111.8L208 L253 T298 L299 S354 L355 K359 R360L208-V357 HydrophobicContact CB-CB 3.71Å; L208-V357 HydrophobicContact CB-CG1 3.93Å; L208-V357 HydrophobicContact CB-CG2 4.13Å; L208-V357 HydrophobicContact CD1-CB 3.96Å; L208-V357 HydrophobicContact CD1-CG1 4.22Å; L208-V357 HydrophobicContact CG-CB 4.49Å; L253-V357 HydrophobicContact CD1-CG2 3.51Å; L253-V357 HydrophobicContact CD2-CG2 4.34Å; T298-V357 WeakPolarHBondContact O-CG1 3.44Å; L299-V357 HydrophobicContact CD2-CG1 3.66Å; L299-V357 HydrophobicContact CD2-CG2 4.16Å; S354-V357 VanDerWaalsContact O-CG2 3.31Å; S354-V357 WeakPolarHBondContact O-CG2 3.25Å; L355-V357 PolarHBondContact O-N 3.42Å; V357-K359 PolarHBondContact O-N 3.38Å; V357-K359 VanDerWaalsContact O-N 3.16Å; V357-R360 WeakPolarHBondContact O-CB 3.36Å; V357-R360 PolarHBondContact O-N 3.2Å; V357-R360 VanDerWaalsContact O-N 3.09Å
358C97.8Very high96.3Very high0 Ų047.5 Ų47.50%025%0.246CC..G310 helixtrans-63.8-18.5-179.963.60000114.4L208 C310 L355 E356 R360 W361 I364L208-C358 HydrophobicContact CD1-CB 3.69Å; C310-C358 HydrophobicContact CB-CB 3.58Å; C310-C358 WeakPolarHBondContact CB-SG 3.26Å; C310-C358 WeakPolarHBondContact SG-CB 3.44Å; C310-C358 CovalentContact SG-SG 2.03Å; C310-C358 PolarHBondContact SG-SG 3.15Å; L355-C358 PolarHBondContact O-SG 2.97Å; E356-C358 PolarHBondContact O-N 3.07Å; E356-C358 VanDerWaalsContact O-N 3.13Å; C358-R360 PolarHBondContact O-N 2.92Å; C358-R360 VanDerWaalsContact O-N 3.16Å; C358-W361 HydrophobicContact CB-CD2 3.96Å; C358-W361 HydrophobicContact CB-CE3 3.89Å; C358-W361 HydrophobicContact CB-CH2 4.23Å; C358-W361 HydrophobicContact CB-CZ2 4.31Å; C358-W361 HydrophobicContact CB-CZ3 4.02Å; C358-W361 VanDerWaalsContact O-CB 3.28Å; C358-W361 WeakPolarHBondContact O-CB 3.32Å; C358-W361 PolarHBondContact O-N 2.97Å; C358-I364 HydrophobicContact CB-CD1 4.41Å; C358-I364 HydrophobicContact CB-CG1 4.42Å; C358-I364 WeakPolarHBondContact O-CG2 3.37Å
359K97.1Very high96.1Very high99 Ų9947 Ų4743%0.4324%0.235SC..G310 helixtrans-61.8-20.9173.5-63.1167.978.8175.80112.4E356 V357 W361 Y366E356-K359 HydrophobicContact CB-CD 3.64Å; E356-K359 HydrophobicContact CB-CG 4.41Å; E356-K359 HydrophobicContact CG-CD 3.55Å; E356-K359 VanDerWaalsContact O-CB 3.26Å; E356-K359 WeakPolarHBondContact O-CB 3.21Å; E356-K359 WeakPolarHBondContact O-CG 3.18Å; E356-K359 PolarHBondContact O-N 3.38Å; E356-K359 IonicContact OE1-NZ 2.77Å; E356-K359 PolarHBondContact OE1-NZ 3.45Å; E356-K359 WeakPolarHBondContact OE2-CD 3.32Å; E356-K359 IonicContact OE2-NZ 3.84Å; E356-K359 PolarHBondContact OE2-NZ 2.84Å; V357-K359 PolarHBondContact O-N 3.38Å; V357-K359 VanDerWaalsContact O-N 3.16Å; K359-W361 VanDerWaalsContact C-N 3.35Å; K359-Y366 HydrophobicContact CD-CD1 4.49Å; K359-Y366 HydrophobicContact CD-CE1 3.78Å; K359-Y366 HydrophobicContact CD-CE2 4.05Å; K359-Y366 HydrophobicContact CG-CD1 3.98Å; K359-Y366 HydrophobicContact CG-CD2 3.78Å; K359-Y366 HydrophobicContact CG-CE1 3.72Å; K359-Y366 HydrophobicContact CG-CE2 3.51Å; K359-Y366 HydrophobicContact CG-CG 4.01Å; K359-Y366 VanDerWaalsContact CG-CZ 3.49Å
360R96.2Very high95.9Very high174 Ų17449.1 Ų49.166%0.65725%0.249SC*.G310 helixtrans-83.6-8.8176.3-55.8-178.8-177.6-179.91.1112.9V357 C358V357-R360 WeakPolarHBondContact O-CB 3.36Å; V357-R360 PolarHBondContact O-N 3.2Å; V357-R360 VanDerWaalsContact O-N 3.09Å; C358-R360 PolarHBondContact O-N 2.92Å; C358-R360 VanDerWaalsContact O-N 3.16Å
361W96.7Very high95.5Very high7 Ų750.1 Ų50.13%0.02726%0.26CS..SBendtrans-81.7127.8-177.5-65-4.1000111.8M183 L208 T298 L299 K301 I308 C358 K359 G363 I364M183-W361 HydrophobicContact CE-CH2 3.66Å; M183-W361 HydrophobicContact CE-CZ2 3.53Å; M183-W361 HydrophobicContact SD-CH2 3.72Å; M183-W361 HydrophobicContact SD-CZ2 4.09Å; L208-W361 HydrophobicContact CD1-CH2 3.91Å; L208-W361 HydrophobicContact CD1-CZ2 3.78Å; L208-W361 HydrophobicContact CD2-CH2 3.9Å; L208-W361 HydrophobicContact CD2-CZ2 3.94Å; L208-W361 HydrophobicContact CG-CZ2 4.48Å; T298-W361 WeakPolarHBondContact O-CZ2 3.34Å; T298-W361 PolarHBondContact O-NE1 2.79Å; L299-W361 PolarHBondContact O-NE1 3.12Å; K301-W361 HydrophobicContact CB-CB 3.79Å; K301-W361 HydrophobicContact CB-CD2 3.94Å; K301-W361 HydrophobicContact CB-CE3 4.29Å; K301-W361 HydrophobicContact CB-CG 3.7Å; K301-W361 HydrophobicContact CD-CB 4.3Å; K301-W361 HydrophobicContact CG-CB 4Å; K301-W361 HydrophobicContact CG-CD2 4.15Å; K301-W361 HydrophobicContact CG-CE3 3.99Å; K301-W361 HydrophobicContact CG-CG 4.17Å; I308-W361 HydrophobicContact CG2-CE3 4.43Å; I308-W361 HydrophobicContact CG2-CZ3 4.15Å; C358-W361 HydrophobicContact CB-CD2 3.96Å; C358-W361 HydrophobicContact CB-CE3 3.89Å; C358-W361 HydrophobicContact CB-CH2 4.23Å; C358-W361 HydrophobicContact CB-CZ2 4.31Å; C358-W361 HydrophobicContact CB-CZ3 4.02Å; C358-W361 VanDerWaalsContact O-CB 3.28Å; C358-W361 WeakPolarHBondContact O-CB 3.32Å; C358-W361 PolarHBondContact O-N 2.97Å; K359-W361 VanDerWaalsContact C-N 3.35Å; W361-G363 PolarHBondContact O-N 2.85Å; W361-I364 HydrophobicContact CB-CB 4.29Å; W361-I364 HydrophobicContact CE3-CD1 3.84Å; W361-I364 HydrophobicContact CZ3-CD1 4.36Å; W361-I364 WeakPolarHBondContact O-CG2 3.46Å; W361-I364 PolarHBondContact O-N 2.75Å
362P93.8Very high95.1Very high105 Ų10550 Ų5068%0.68226%0.259SS*.THydrogen-bonded Turntrans-57.9126179.2-28.136.3000113.9K301 I364K301-P362 WeakPolarHBondContact CD-O 3.25Å; K301-P362 PolarHBondContact NZ-O 2.77Å; P362-I364 VanDerWaalsContact C-N 3.32Å; P362-I364 PolarHBondContact O-N 2.79Å
363G93.8Very high94.9Very high59 Ų5951.8 Ų51.861%0.60827%0.267SS*.THydrogen-bonded Turntrans68.423.7176.900000115W361W361-G363 PolarHBondContact O-N 2.85Å
364I96Very high94.7Very high31 Ų3148 Ų4816%0.15925%0.253CS..  trans-61.5139.1174.2-171.668.9000111.7I308 C310 C358 W361 P362 Y366I308-I364 HydrophobicContact CB-CD1 4.16Å; I308-I364 HydrophobicContact CG2-CD1 3.86Å; I308-I364 VanDerWaalsContact O-CD1 3.22Å; I308-I364 WeakPolarHBondContact O-CD1 3.33Å; C310-I364 HydrophobicContact CB-CD1 3.53Å; C310-I364 HydrophobicContact CB-CG1 3.76Å; C358-I364 HydrophobicContact CB-CD1 4.41Å; C358-I364 HydrophobicContact CB-CG1 4.42Å; C358-I364 WeakPolarHBondContact O-CG2 3.37Å; W361-I364 HydrophobicContact CB-CB 4.29Å; W361-I364 HydrophobicContact CE3-CD1 3.84Å; W361-I364 HydrophobicContact CZ3-CD1 4.36Å; W361-I364 WeakPolarHBondContact O-CG2 3.46Å; W361-I364 PolarHBondContact O-N 2.75Å; P362-I364 VanDerWaalsContact C-N 3.32Å; P362-I364 PolarHBondContact O-N 2.79Å; I364-Y366 PolarHBondContact O-N 3.07Å
365K93.8Very high94.2Very high81 Ų8151.1 Ų51.135%0.35227%0.269SS..EExtended strand (participates in β ladder)trans-90.293.1165-51.8-69.5-175.5151.40107.4E307 I308 Y309 C310 F367E307-K365 VanDerWaalsContact CD-CE 3.48Å; E307-K365 WeakPolarHBondContact OE1-CE 3.43Å; E307-K365 IonicContact OE1-NZ 3.6Å; E307-K365 PolarHBondContact OE1-NZ 2.89Å; I308-K365 PolarHBondContact O-N 3.39Å; Y309-K365 CarbonylContact C-O 3.59Å; Y309-K365 WeakPolarHBondContact CA-O 3.3Å; Y309-K365 HydrophobicContact CD1-CB 3.75Å; Y309-K365 HydrophobicContact CD1-CG 4.34Å; Y309-K365 HydrophobicContact CD2-CB 4.33Å; Y309-K365 HydrophobicContact CD2-CG 4.32Å; Y309-K365 HydrophobicContact CE1-CB 3.9Å; Y309-K365 HydrophobicContact CE1-CG 4.09Å; Y309-K365 HydrophobicContact CE2-CB 4.45Å; Y309-K365 HydrophobicContact CE2-CG 4.06Å; Y309-K365 HydrophobicContact CG-CB 3.94Å; Y309-K365 HydrophobicContact CG-CG 4.41Å; C310-K365 PolarHBondContact N-O 3.27Å; K365-F367 HydrophobicContact CB-CE2 3.9Å; K365-F367 WeakPolarHBondContact O-CD2 3.36Å
366Y95Very high93.7Very high61 Ų6153.8 Ų53.824%0.23928%0.282CS..EExtended strand (participates in β ladder)trans-97.2125.7-169.7179-109.2000112C310 H312 K359 I364 V368C310-Y366 HydrophobicContact CB-CD2 4.29Å; H312-Y366 AromaticContact CD2-CE2 3.77Å; H312-Y366 PolarHBondContact CE1-OH 3.29Å; H312-Y366 VanDerWaalsContact CE1-OH 3.26Å; H312-Y366 AromaticContact NE2-CE2 3.28Å; H312-Y366 VanDerWaalsContact NE2-CE2 3.28Å; H312-Y366 WeakPolarHBondContact NE2-CE2 3.25Å; H312-Y366 AromaticContact NE2-CZ 3.41Å; H312-Y366 PolarHBondContact NE2-OH 2.96Å; K359-Y366 HydrophobicContact CD-CD1 4.49Å; K359-Y366 HydrophobicContact CD-CE1 3.78Å; K359-Y366 HydrophobicContact CD-CE2 4.05Å; K359-Y366 HydrophobicContact CG-CD1 3.98Å; K359-Y366 HydrophobicContact CG-CD2 3.78Å; K359-Y366 HydrophobicContact CG-CE1 3.72Å; K359-Y366 HydrophobicContact CG-CE2 3.51Å; K359-Y366 HydrophobicContact CG-CG 4.01Å; K359-Y366 VanDerWaalsContact CG-CZ 3.49Å; I364-Y366 PolarHBondContact O-N 3.07Å; Y366-V368 HydrophobicContact CD1-CG2 4.48Å; Y366-V368 HydrophobicContact CE1-CG2 3.52Å; Y366-V368 HydrophobicContact CE2-CG2 4.35Å; Y366-V368 VanDerWaalsContact CZ-CG2 3.42Å; Y366-V368 WeakPolarHBondContact OH-CG2 3.22Å
367F93.1Very high93.3Very high84 Ų8451 Ų5137%0.36827%0.269SS..EExtended strand (participates in β ladder)trans-132.6136.1-178.6-63.3-88.9000111.1Y309 C310 I311 H312 K365Y309-F367 HydrophobicContact CD1-CD2 4.3Å; Y309-F367 AromaticContact CD1-CE2 3.64Å; Y309-F367 HydrophobicContact CD1-CE2 3.64Å; Y309-F367 HydrophobicContact CE1-CE2 4.01Å; C310-F367 PolarHBondContact O-N 3.29Å; I311-F367 WeakPolarHBondContact CA-O 3.14Å; I311-F367 HydrophobicContact CD1-CD2 4.42Å; I311-F367 HydrophobicContact CG1-CB 4.23Å; I311-F367 HydrophobicContact CG1-CD2 4.21Å; I311-F367 HydrophobicContact CG2-CB 4.22Å; H312-F367 PolarHBondContact N-O 3.16Å; K365-F367 HydrophobicContact CB-CE2 3.9Å; K365-F367 WeakPolarHBondContact O-CD2 3.36Å
368V92.6Very high93Very high54 Ų5450.9 Ų50.933%0.32727%0.268SS..EExtended strand (participates in β ladder)trans-117.1137.6174.6-176.70000108.7A314 Y366 P370A314-V368 HydrophobicContact CB-CG1 3.37Å; Y366-V368 HydrophobicContact CD1-CG2 4.48Å; Y366-V368 HydrophobicContact CE1-CG2 3.52Å; Y366-V368 HydrophobicContact CE2-CG2 4.35Å; Y366-V368 VanDerWaalsContact CZ-CG2 3.42Å; Y366-V368 WeakPolarHBondContact OH-CG2 3.22Å; V368-P370 HydrophobicContact CG1-CG 4.44Å; V368-P370 WeakPolarHBondContact O-CD 3.31Å
369L91.8Very high92.4Very high25 Ų2551.5 Ų51.513%0.13127%0.271CS..EExtended strand (participates in β ladder)trans-118.685.5-178.9-59.1177.6000109.4I311 H312 G313 A314 G371 A372 I377 L381 F393I311-L369 HydrophobicContact CG2-CD1 3.67Å; I311-L369 HydrophobicContact CG2-CG 4.17Å; H312-L369 PolarHBondContact O-N 3.03Å; G313-L369 WeakPolarHBondContact CA-O 3.14Å; A314-L369 PolarHBondContact N-O 2.96Å; L369-G371 PolarHBondContact O-N 2.68Å; L369-A372 HydrophobicContact CB-CB 3.84Å; L369-A372 VanDerWaalsContact O-CB 3.32Å; L369-A372 WeakPolarHBondContact O-CB 3.2Å; L369-A372 PolarHBondContact O-N 2.72Å; L369-A372 VanDerWaalsContact O-N 3.07Å; L369-I377 HydrophobicContact CD1-CD1 4.19Å; L369-I377 HydrophobicContact CD1-CG1 4.21Å; L369-L381 HydrophobicContact CD1-CD1 4.36Å; L369-F393 HydrophobicContact CB-CG 4.39Å; L369-F393 HydrophobicContact CD1-CB 3.83Å; L369-F393 HydrophobicContact CD1-CD2 3.84Å; L369-F393 HydrophobicContact CD1-CG 3.96Å; L369-F393 HydrophobicContact CD2-CB 3.72Å; L369-F393 HydrophobicContact CD2-CG 4.43Å; L369-F393 HydrophobicContact CG-CB 4.24Å; L369-F393 HydrophobicContact CG-CG 4.49Å
370P90.4Very high91.6Very high66 Ų6649 Ų4943%0.42926%0.26SS..EExtended strand (participates in β ladder)trans-60.6126.5-175.7-24.735.3000112.5A314 V368 N395A314-P370 WeakPolarHBondContact O-CA 3.5Å; V368-P370 HydrophobicContact CG1-CG 4.44Å; V368-P370 WeakPolarHBondContact O-CD 3.31Å; P370-N395 PolarHBondContact O-ND2 2.92Å; P370-N395 VanDerWaalsContact O-ND2 3.08Å
371G90Very high90.8Very high23 Ų2340.8 Ų40.824%0.23723%0.229CC..THydrogen-bonded Turntrans84.51.5-176.600000115.5A314 L369 E373A314-G371 PolarHBondContact O-N 3.45Å; L369-G371 PolarHBondContact O-N 2.68Å; G371-E373 PolarHBondContact O-N 2.95Å
372A90.6Very high89.9Confident1 Ų144.1 Ų44.11%0.00824%0.244CC..  trans-75.8115.7170.600000110.6G313 L316 L369 I377 F393G313-A372 WeakPolarHBondContact CA-O 3.43Å; L316-A372 VanDerWaalsContact CD1-O 3.27Å; L316-A372 WeakPolarHBondContact CD1-O 3.29Å; L369-A372 HydrophobicContact CB-CB 3.84Å; L369-A372 VanDerWaalsContact O-CB 3.32Å; L369-A372 WeakPolarHBondContact O-CB 3.2Å; L369-A372 PolarHBondContact O-N 2.72Å; L369-A372 VanDerWaalsContact O-N 3.07Å; A372-I377 HydrophobicContact CB-CB 4.45Å; A372-I377 HydrophobicContact CB-CD1 4.38Å; A372-I377 HydrophobicContact CB-CG1 4.04Å; A372-F393 HydrophobicContact CB-CD1 4.37Å; A372-F393 HydrophobicContact CB-CD2 4.39Å; A372-F393 HydrophobicContact CB-CE1 3.71Å; A372-F393 HydrophobicContact CB-CE2 3.72Å; A372-F393 HydrophobicContact CB-CZ 3.34Å
373E93.1Very high89Confident72 Ų7239.6 Ų39.634%0.33621%0.214SC..  trans-75.1139.6177-63.2170.9-165.900110.2L316 D347 G371 D375 Q376 I377 R408L316-E373 VanDerWaalsContact CD1-CA 3.47Å; L316-E373 HydrophobicContact CD1-CB 4.05Å; L316-E373 HydrophobicContact CD1-CG 3.55Å; L316-E373 HydrophobicContact CD2-CG 4.38Å; D347-E373 CarbonylContact O-C 3.57Å; D347-E373 WeakPolarHBondContact O-CA 3.37Å; G371-E373 PolarHBondContact O-N 2.95Å; E373-D375 PolarHBondContact O-N 3.35Å; E373-Q376 HydrophobicContact CB-CB 4.08Å; E373-Q376 HydrophobicContact CB-CG 4.03Å; E373-Q376 CarbonylContact O-C 3.58Å; E373-Q376 WeakPolarHBondContact O-CA 3.28Å; E373-Q376 PolarHBondContact O-N 3.09Å; E373-I377 PolarHBondContact O-N 3.45Å; E373-R408 IonicContact OE1-NH2 3.21Å
374H94.2Very high88.1Confident4 Ų440.8 Ų40.82%0.01920%0.204CC..G310 helixtrans-48.9-52.3-172.9-170.887.3000113.1H175 S176 S205 D347 V350 Q376 I377H175-H374 PolarHBondContact CE1-O 3Å; H175-H374 PolarHBondContact NE2-O 2.75Å; S176-H374 VanDerWaalsContact CB-NE2 3.33Å; S176-H374 WeakPolarHBondContact CB-NE2 3.39Å; S176-H374 PolarHBondContact OG-CE1 3.26Å; S176-H374 PolarHBondContact OG-NE2 2.58Å; S205-H374 PolarHBondContact O-CE1 2.91Å; D347-H374 HydrophobicContact CB-CB 4.31Å; D347-H374 VanDerWaalsContact CG-ND1 3.32Å; D347-H374 PolarHBondContact O-N 3.25Å; D347-H374 WeakPolarHBondContact OD1-CB 3.41Å; D347-H374 IonicContact OD1-CG 2.98Å; D347-H374 IonicContact OD1-ND1 3.55Å; D347-H374 PolarHBondContact OD1-ND1 3.38Å; D347-H374 IonicContact OD2-CE1 3.13Å; D347-H374 IonicContact OD2-CG 2.8Å; D347-H374 IonicContact OD2-ND1 2.65Å; D347-H374 PolarHBondContact OD2-ND1 3.01Å; V350-H374 WeakPolarHBondContact CG2-CE1 3.31Å; H374-Q376 PolarHBondContact O-N 2.98Å; H374-I377 VanDerWaalsContact O-CG2 3.24Å; H374-I377 WeakPolarHBondContact O-CG2 3.33Å
375D87.6Confident87.1Confident66 Ų6639.3 Ų39.335%0.35320%0.196SC..G310 helixtrans-75.1-15.4-175.4-49.1-51.2000111.7E373E373-D375 PolarHBondContact O-N 3.35Å
376Q87.8Confident86.2Confident57 Ų5735.6 Ų35.627%0.26618%0.181SC..G310 helixtrans-103.9-13.5-177.3-58.1-66.4-69.800113.7E373 H374 I378 I379 F380E373-Q376 HydrophobicContact CB-CB 4.08Å; E373-Q376 HydrophobicContact CB-CG 4.03Å; E373-Q376 CarbonylContact O-C 3.58Å; E373-Q376 WeakPolarHBondContact O-CA 3.28Å; E373-Q376 PolarHBondContact O-N 3.09Å; H374-Q376 PolarHBondContact O-N 2.98Å; Q376-I378 PolarHBondContact O-N 3.17Å; Q376-I379 WeakPolarHBondContact O-CB 3.39Å; Q376-I379 PolarHBondContact O-N 2.83Å; Q376-F380 HydrophobicContact CB-CD2 4.09Å; Q376-F380 HydrophobicContact CB-CE2 4.01Å; Q376-F380 WeakPolarHBondContact O-CD2 3.29Å; Q376-F380 PolarHBondContact O-N 2.87Å
377I90.2Very high84.5Confident0 Ų039.8 Ų39.80%020%0.2CC..THydrogen-bonded Turntrans-60.7-35.8-174.5-163.8176.2000111.7H175 L204 L369 A372 E373 H374 L381 F393H175-I377 VanDerWaalsContact NE2-CG2 3.31Å; H175-I377 WeakPolarHBondContact NE2-CG2 3.24Å; L204-I377 HydrophobicContact CD1-CD1 3.87Å; L204-I377 HydrophobicContact CD1-CG1 4.08Å; L204-I377 HydrophobicContact CD1-CG2 4.41Å; L204-I377 HydrophobicContact CD2-CG2 4.11Å; L204-I377 HydrophobicContact CG-CD1 4.41Å; L204-I377 HydrophobicContact CG-CG2 3.99Å; L369-I377 HydrophobicContact CD1-CD1 4.19Å; L369-I377 HydrophobicContact CD1-CG1 4.21Å; A372-I377 HydrophobicContact CB-CB 4.45Å; A372-I377 HydrophobicContact CB-CD1 4.38Å; A372-I377 HydrophobicContact CB-CG1 4.04Å; E373-I377 PolarHBondContact O-N 3.45Å; H374-I377 VanDerWaalsContact O-CG2 3.24Å; H374-I377 WeakPolarHBondContact O-CG2 3.33Å; I377-L381 WeakPolarHBondContact O-CB 3.41Å; I377-L381 PolarHBondContact O-N 2.86Å; I377-L381 VanDerWaalsContact O-N 3.15Å; I377-F393 HydrophobicContact CG1-CE2 4.31Å
378I90.6Very high83.1Confident0 Ų039.7 Ų39.70%021%0.208CC..THydrogen-bonded Turntrans-77.8-21.5177.3-169.1165.9000113.5Y113 C114 M117 H175 L204 Q376Y113-I378 HydrophobicContact CD2-CG2 3.99Å; Y113-I378 HydrophobicContact CE1-CD1 4.08Å; Y113-I378 HydrophobicContact CE2-CG2 3.67Å; C114-I378 HydrophobicContact CB-CD1 3.57Å; C114-I378 HydrophobicContact CB-CG1 3.62Å; M117-I378 WeakPolarHBondContact CB-O 3.47Å; M117-I378 HydrophobicContact CE-CG1 4.4Å; M117-I378 HydrophobicContact SD-CG1 4.23Å; H175-I378 HydrophobicContact CB-CD1 3.82Å; L204-I378 HydrophobicContact CD2-CB 3.9Å; L204-I378 HydrophobicContact CD2-CG1 4.18Å; Q376-I378 PolarHBondContact O-N 3.17Å
379I85.9Confident81.7Confident12 Ų1237.5 Ų37.56%0.06219%0.194CC..THydrogen-bonded Turntrans-72.6-47.2173.1-70.8164.2000109.8Y113 P116 Q376Y113-I379 WeakPolarHBondContact O-CG1 3.12Å; P116-I379 HydrophobicContact CB-CG2 4.42Å; P116-I379 HydrophobicContact CG-CG2 4.11Å; Q376-I379 WeakPolarHBondContact O-CB 3.39Å; Q376-I379 PolarHBondContact O-N 2.83Å
380F80Confident80.5Confident46 Ų4639.1 Ų39.120%0.20220%0.203CC..SBendtrans-96.99.6-173.7-55.9-62.4000114.5Q376 F393 L394 I396Q376-F380 HydrophobicContact CB-CD2 4.09Å; Q376-F380 HydrophobicContact CB-CE2 4.01Å; Q376-F380 WeakPolarHBondContact O-CD2 3.29Å; Q376-F380 PolarHBondContact O-N 2.87Å; F380-F393 HydrophobicContact CB-CD2 4.15Å; F380-F393 HydrophobicContact CB-CE2 3.53Å; F380-F393 HydrophobicContact CB-CZ 3.81Å; F380-F393 HydrophobicContact CD2-CZ 4.48Å; F380-L394 PolarHBondContact O-N 3.06Å; F380-L394 VanDerWaalsContact O-N 3.12Å; F380-I396 HydrophobicContact CD1-CD1 3.77Å; F380-I396 HydrophobicContact CD1-CG1 4.42Å; F380-I396 HydrophobicContact CE1-CD1 3.42Å; F380-I396 VanDerWaalsContact CE1-CD1 3.42Å; F380-I396 HydrophobicContact CE1-CG1 4.49Å; F380-I396 HydrophobicContact CZ-CD1 3.92Å
381L80.5Confident78.9Confident2 Ų237.1 Ų37.11%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-72.8132.5172.4-157.571000110.9M117 L173 L204 L369 I377 V391M117-L381 HydrophobicContact CG-CB 4.36Å; M117-L381 WeakPolarHBondContact CG-O 3.3Å; M117-L381 HydrophobicContact SD-CB 4.15Å; M117-L381 HydrophobicContact SD-CD2 3.91Å; L173-L381 HydrophobicContact CD1-CD2 4.07Å; L204-L381 HydrophobicContact CD1-CD1 4.02Å; L204-L381 HydrophobicContact CD1-CD2 4.03Å; L204-L381 HydrophobicContact CD2-CD2 3.93Å; L369-L381 HydrophobicContact CD1-CD1 4.36Å; I377-L381 WeakPolarHBondContact O-CB 3.41Å; I377-L381 PolarHBondContact O-N 2.86Å; I377-L381 VanDerWaalsContact O-N 3.15Å; L381-V391 HydrophobicContact CD1-CG1 3.48Å; L381-V391 VanDerWaalsContact CD1-CG1 3.48Å; L381-V391 HydrophobicContact CG-CG1 4.1Å
382K76.9Confident77.5Confident78 Ų7841.2 Ų41.234%0.33920%0.201SC..EExtended strand (participates in β ladder)trans-117.9111.1162-71.5-165168.4-164.80109S120 F392 L394S120-K382 WeakPolarHBondContact OG-CE 3.43Å; K382-F392 HydrophobicContact CB-CB 4.26Å; K382-F392 PolarHBondContact N-O 3.43Å; K382-F392 PolarHBondContact O-N 2.82Å; K382-F392 VanDerWaalsContact O-O 3.13Å; K382-L394 HydrophobicContact CD-CD1 4.31Å; K382-L394 HydrophobicContact CD-CG 4.22Å
383I74.7Confident75.6Confident9 Ų942.9 Ų42.95%0.04621%0.208CC..EExtended strand (participates in β ladder)trans-107117.2177.7-178.9168.3000109.9I28 M117 L121 L173 V202 V385 I389 V391I28-I383 HydrophobicContact CD1-CG2 4.41Å; M117-I383 HydrophobicContact CG-CG2 4.49Å; M117-I383 HydrophobicContact SD-CG2 4.39Å; L121-I383 HydrophobicContact CD2-CG2 4.29Å; L121-I383 WeakPolarHBondContact CD2-O 3.31Å; L173-I383 HydrophobicContact CD1-CD1 4.33Å; V202-I383 HydrophobicContact CG2-CD1 4.09Å; I383-V385 HydrophobicContact CG1-CG2 4.26Å; I383-V385 HydrophobicContact CG2-CG2 4.37Å; I383-V385 PolarHBondContact O-N 3.12Å; I383-I389 HydrophobicContact CD1-CG2 4Å; I383-I389 HydrophobicContact CG1-CG2 3.94Å; I383-V391 HydrophobicContact CD1-CG2 4.39Å; I383-V391 HydrophobicContact CG1-CG2 4.12Å
384E75.6Confident73.7Confident84 Ų8443.8 Ų43.839%0.39322%0.215SC..EExtended strand (participates in β ladder)trans-83.6102.8166.5-65.6-174169.600108.2S386 I389 N390 F392E384-S386 PolarHBondContact O-N 2.96Å; E384-I389 WeakPolarHBondContact O-CA 3.33Å; E384-N390 HydrophobicContact CB-CB 4.11Å; E384-N390 HydrophobicContact CG-CB 4.38Å; E384-N390 PolarHBondContact N-O 3.07Å; E384-N390 PolarHBondContact O-N 3.16Å; E384-N390 PolarHBondContact OE2-ND2 3.17Å; E384-F392 HydrophobicContact CG-CD2 4.44Å; E384-F392 HydrophobicContact CG-CE2 4.09Å
385V75.4Confident71.5Confident1 Ų148.2 Ų48.21%0.00624%0.238CC..  trans-7850.7-177.9-147.60000111.7K25 Y26 I28 L121 F127 V171 I383K25-V385 WeakPolarHBondContact CA-O 3.29Å; Y26-V385 PolarHBondContact N-O 2.86Å; Y26-V385 VanDerWaalsContact O-CG1 3.26Å; Y26-V385 WeakPolarHBondContact O-CG1 3.46Å; I28-V385 HydrophobicContact CD1-CG2 4.4Å; L121-V385 HydrophobicContact CD2-CG2 3.65Å; F127-V385 HydrophobicContact CE1-CB 3.72Å; F127-V385 HydrophobicContact CE1-CG2 3.56Å; F127-V385 HydrophobicContact CZ-CB 3.71Å; F127-V385 HydrophobicContact CZ-CG2 3.77Å; V171-V385 HydrophobicContact CB-CG1 3.66Å; V171-V385 HydrophobicContact CG1-CG1 4.14Å; V171-V385 HydrophobicContact CG2-CG1 3.27Å; I383-V385 HydrophobicContact CG1-CG2 4.26Å; I383-V385 HydrophobicContact CG2-CG2 4.37Å; I383-V385 PolarHBondContact O-N 3.12Å
386S74.3Confident69.4Low3 Ų347.7 Ų47.72%0.02124%0.235CC..SBendtrans-105.8-171.1-174.3-44.80000111.3S23 E24 K25 E384 P388 I389S23-S386 WeakPolarHBondContact OG-CB 3.47Å; S23-S386 PolarHBondContact OG-OG 3.44Å; E24-S386 CarbonylContact O-C 3.53Å; E24-S386 WeakPolarHBondContact O-CA 3.47Å; K25-S386 PolarHBondContact NZ-OG 3.09Å; E384-S386 PolarHBondContact O-N 2.96Å; S386-P388 CarbonylContact C-O 3.25Å; S386-P388 VanDerWaalsContact C-O 3.25Å; S386-P388 CarbonylContact O-C 3.5Å; S386-P388 VanDerWaalsContact O-C 3.29Å; S386-I389 WeakPolarHBondContact O-CG1 3.34Å; S386-I389 PolarHBondContact O-N 3.29Å
387K59.1Low66.8Low149 Ų14947.1 Ų47.165%0.64825%0.245SC*.SBendtrans-112.9122.1158.1-170.7-177.5-179.5-177.10110.3Y26Y26-K387 HydrophobicContact CE2-CB 4.23Å
388P63.1Low64.2Low82 Ų8253.8 Ų53.853%0.53228%0.279SS..SBendcis-62.9165.3-1331.7-36.9000111.6S386 N390S386-P388 CarbonylContact C-O 3.25Å; S386-P388 VanDerWaalsContact C-O 3.25Å; S386-P388 CarbonylContact O-C 3.5Å; S386-P388 VanDerWaalsContact O-C 3.29Å; P388-N390 PolarHBondContact O-N 2.81Å
389I63.9Low61.2Low7 Ų756.8 Ų56.84%0.03631%0.309CS..  trans-80.7110.4170.3-65.2171.2000107V171 T200 Y309 I383 E384 S386 V391V171-I389 HydrophobicContact CG2-CD1 3.86Å; T200-I389 HydrophobicContact CG2-CD1 3.33Å; Y309-I389 HydrophobicContact CE1-CB 4.19Å; Y309-I389 HydrophobicContact CE1-CG2 4.48Å; Y309-I389 HydrophobicContact CE2-CB 4.39Å; Y309-I389 HydrophobicContact CE2-CD1 4.33Å; I383-I389 HydrophobicContact CD1-CG2 4Å; I383-I389 HydrophobicContact CG1-CG2 3.94Å; E384-I389 WeakPolarHBondContact O-CA 3.33Å; S386-I389 WeakPolarHBondContact O-CG1 3.34Å; S386-I389 PolarHBondContact O-N 3.29Å; I389-V391 HydrophobicContact CG2-CG2 4.15Å
390N67Low58.8Low59 Ų5959.2 Ų59.232%0.31633%0.325SS..EExtended strand (participates in β ladder)trans-91.2136.9173.5-57.4-44.3000108.8E384 P388 F392E384-N390 HydrophobicContact CB-CB 4.11Å; E384-N390 HydrophobicContact CG-CB 4.38Å; E384-N390 PolarHBondContact N-O 3.07Å; E384-N390 PolarHBondContact O-N 3.16Å; E384-N390 PolarHBondContact OE2-ND2 3.17Å; P388-N390 PolarHBondContact O-N 2.81Å; N390-F392 HydrophobicContact CB-CD2 4.33Å; N390-F392 HydrophobicContact CB-CE2 3.53Å; N390-F392 HydrophobicContact CB-CZ 3.86Å
391V57Low56.4Low24 Ų2462.2 Ų62.215%0.14534%0.335CS..EExtended strand (participates in β ladder)trans-124.3118.8174.5-1760000108.8I311 L381 I383 I389I311-V391 HydrophobicContact CD1-CB 3.92Å; I311-V391 HydrophobicContact CD1-CG1 3.8Å; I311-V391 HydrophobicContact CD1-CG2 3.64Å; L381-V391 HydrophobicContact CD1-CG1 3.48Å; L381-V391 VanDerWaalsContact CD1-CG1 3.48Å; L381-V391 HydrophobicContact CG-CG1 4.1Å; I383-V391 HydrophobicContact CD1-CG2 4.39Å; I383-V391 HydrophobicContact CG1-CG2 4.12Å; I389-V391 HydrophobicContact CG2-CG2 4.15Å
392F60.4Low53.9Low110 Ų11068.1 Ų68.148%0.48236%0.363SS..EExtended strand (participates in β ladder)trans-111.2146.3176.8-56.4-80.7000109K382 E384 N390K382-F392 HydrophobicContact CB-CB 4.26Å; K382-F392 PolarHBondContact N-O 3.43Å; K382-F392 PolarHBondContact O-N 2.82Å; K382-F392 VanDerWaalsContact O-O 3.13Å; E384-F392 HydrophobicContact CG-CD2 4.44Å; E384-F392 HydrophobicContact CG-CE2 4.09Å; N390-F392 HydrophobicContact CB-CD2 4.33Å; N390-F392 HydrophobicContact CB-CE2 3.53Å; N390-F392 HydrophobicContact CB-CZ 3.86Å
393F51.5Low51.5Low36 Ų3669 Ų6916%0.15838%0.377CS..EExtended strand (participates in β ladder)trans-115.8126.8171.5-172.7-107000108.4L369 A372 I377 F380 N395L369-F393 HydrophobicContact CB-CG 4.39Å; L369-F393 HydrophobicContact CD1-CB 3.83Å; L369-F393 HydrophobicContact CD1-CD2 3.84Å; L369-F393 HydrophobicContact CD1-CG 3.96Å; L369-F393 HydrophobicContact CD2-CB 3.72Å; L369-F393 HydrophobicContact CD2-CG 4.43Å; L369-F393 HydrophobicContact CG-CB 4.24Å; L369-F393 HydrophobicContact CG-CG 4.49Å; A372-F393 HydrophobicContact CB-CD1 4.37Å; A372-F393 HydrophobicContact CB-CD2 4.39Å; A372-F393 HydrophobicContact CB-CE1 3.71Å; A372-F393 HydrophobicContact CB-CE2 3.72Å; A372-F393 HydrophobicContact CB-CZ 3.34Å; I377-F393 HydrophobicContact CG1-CE2 4.31Å; F380-F393 HydrophobicContact CB-CD2 4.15Å; F380-F393 HydrophobicContact CB-CE2 3.53Å; F380-F393 HydrophobicContact CB-CZ 3.81Å; F380-F393 HydrophobicContact CD2-CZ 4.48Å; F393-N395 HydrophobicContact CD1-CB 3.96Å; F393-N395 HydrophobicContact CE1-CB 4.34Å; F393-N395 PolarHBondContact O-N 3.27Å
394L52.8Low49.3Very low90 Ų9072.9 Ų72.947%0.47139%0.394SS..  trans-7483.5169.4-71.9-174.7000108.5F380 K382 I396F380-L394 PolarHBondContact O-N 3.06Å; F380-L394 VanDerWaalsContact O-N 3.12Å; K382-L394 HydrophobicContact CD-CD1 4.31Å; K382-L394 HydrophobicContact CD-CG 4.22Å; L394-I396 VanDerWaalsContact C-N 3.28Å; L394-I396 WeakPolarHBondContact O-CG1 3.29Å; L394-I396 PolarHBondContact O-N 3.09Å
395N47.1Very low47Very low97 Ų9775.8 Ų75.852%0.51940%0.401SS..  trans-69.590.6172.3-157.2-30.7000108.3P370 F393 G397P370-N395 PolarHBondContact O-ND2 2.92Å; P370-N395 VanDerWaalsContact O-ND2 3.08Å; F393-N395 HydrophobicContact CD1-CB 3.96Å; F393-N395 HydrophobicContact CE1-CB 4.34Å; F393-N395 PolarHBondContact O-N 3.27Å; N395-G397 PolarHBondContact O-N 3.45Å
396I43.2Very low44.6Very low56 Ų5684.3 Ų84.329%0.28744%0.439SS..  trans-63.8108-174.5-57.8-172.5000108.6F380 L394 V400 F404F380-I396 HydrophobicContact CD1-CD1 3.77Å; F380-I396 HydrophobicContact CD1-CG1 4.42Å; F380-I396 HydrophobicContact CE1-CD1 3.42Å; F380-I396 VanDerWaalsContact CE1-CD1 3.42Å; F380-I396 HydrophobicContact CE1-CG1 4.49Å; F380-I396 HydrophobicContact CZ-CD1 3.92Å; L394-I396 VanDerWaalsContact C-N 3.28Å; L394-I396 WeakPolarHBondContact O-CG1 3.29Å; L394-I396 PolarHBondContact O-N 3.09Å; I396-V400 HydrophobicContact CG2-CB 3.47Å; I396-V400 VanDerWaalsContact CG2-CB 3.47Å; I396-V400 HydrophobicContact CG2-CG1 4.24Å; I396-V400 HydrophobicContact CG2-CG2 3.59Å; I396-F404 HydrophobicContact CD1-CE2 4.45Å
397G34.1Very low42.5Very low45 Ų4586.7 Ų86.746%0.46445%0.451SS..  trans-55.6153.4-173.200000113.2N395 G399 V400N395-G397 PolarHBondContact O-N 3.45Å; G397-G399 PolarHBondContact O-N 3.06Å; G397-V400 PolarHBondContact O-N 3.37Å
398I34.9Very low41.3Very low139 Ų13984.7 Ų84.771%0.71344%0.439SS*.G310 helixtrans-48.9-32.1-167.8-67.2166.9000113.6V400 R401I398-V400 PolarHBondContact O-N 2.91Å; I398-R401 VanDerWaalsContact O-CB 3.23Å; I398-R401 WeakPolarHBondContact O-CB 3.47Å; I398-R401 WeakPolarHBondContact O-CG 3.3Å; I398-R401 PolarHBondContact O-N 3.37Å
399G28.5Very low39.6Very low63 Ų6383.7 Ų83.765%0.64943%0.434SS*.G310 helixtrans-59.7-37.5177.100000115.5G397 R401 E402G397-G399 PolarHBondContact O-N 3.06Å; G399-R401 PolarHBondContact O-N 3.15Å; G399-E402 PolarHBondContact O-N 2.93Å
400V34.2Very low38Very low64 Ų6486.4 Ų86.439%0.38845%0.446SS..G310 helixtrans-81.8-4.8-179.1-1500000112.3I396 G397 I398 E402 C403 F404I396-V400 HydrophobicContact CG2-CB 3.47Å; I396-V400 VanDerWaalsContact CG2-CB 3.47Å; I396-V400 HydrophobicContact CG2-CG1 4.24Å; I396-V400 HydrophobicContact CG2-CG2 3.59Å; G397-V400 PolarHBondContact O-N 3.37Å; I398-V400 PolarHBondContact O-N 2.91Å; V400-E402 PolarHBondContact O-N 2.95Å; V400-E402 VanDerWaalsContact O-N 3.1Å; V400-C403 HydrophobicContact CG1-CB 4.16Å; V400-C403 PolarHBondContact O-N 3.35Å; V400-F404 HydrophobicContact CG1-CD2 4.16Å; V400-F404 HydrophobicContact CG1-CE2 4.28Å; V400-F404 PolarHBondContact O-N 2.82Å; V400-F404 VanDerWaalsContact O-N 3.17Å
401R30.5Very low36.1Very low108 Ų10888.4 Ų88.441%0.40845%0.449SS..Hα-helixtrans-59.1-19.6168.2-63.9-176.7169.7-154.2-8.4111.7I398 G399 R405I398-R401 VanDerWaalsContact O-CB 3.23Å; I398-R401 WeakPolarHBondContact O-CB 3.47Å; I398-R401 WeakPolarHBondContact O-CG 3.3Å; I398-R401 PolarHBondContact O-N 3.37Å; G399-R401 PolarHBondContact O-N 3.15Å; R401-R405 WeakPolarHBondContact O-CB 3.43Å; R401-R405 WeakPolarHBondContact O-CG 3.46Å; R401-R405 PolarHBondContact O-N 2.72Å
402E27.7Very low34.7Very low127 Ų12792.9 Ų92.959%0.59347%0.472SS*.Hα-helixtrans-78.5-36.8177.5-52.8-144.3138.500113G399 V400 R405G399-E402 PolarHBondContact O-N 2.93Å; V400-E402 PolarHBondContact O-N 2.95Å; V400-E402 VanDerWaalsContact O-N 3.1Å; E402-R405 IonicContact OE1-CZ 3.06Å; E402-R405 IonicContact OE1-NH1 3.8Å; E402-R405 PolarHBondContact OE1-NH1 3.13Å; E402-R405 IonicContact OE1-NH2 2.7Å; E402-R405 PolarHBondContact OE1-NH2 2.86Å
403C26.8Very low33.5Very low96 Ų9691.6 Ų91.665%0.64947%0.473SS*.Hα-helixtrans-67.1-45.1169.4-66.90000111.5V400 R405 F406V400-C403 HydrophobicContact CG1-CB 4.16Å; V400-C403 PolarHBondContact O-N 3.35Å; C403-R405 VanDerWaalsContact C-N 3.3Å; C403-R405 PolarHBondContact O-N 2.61Å; C403-F406 PolarHBondContact O-N 2.62Å
404F28.3Very low32.6Very low90 Ų9094.4 Ų94.440%0.39549%0.489SS..Hα-helixtrans-75.8-12.3179.2-77.3-85.4000114.1I396 V400 F406 I407 R408I396-F404 HydrophobicContact CD1-CE2 4.45Å; V400-F404 HydrophobicContact CG1-CD2 4.16Å; V400-F404 HydrophobicContact CG1-CE2 4.28Å; V400-F404 PolarHBondContact O-N 2.82Å; V400-F404 VanDerWaalsContact O-N 3.17Å; F404-F406 PolarHBondContact O-N 3.48Å; F404-I407 HydrophobicContact CD1-CD1 3.93Å; F404-I407 HydrophobicContact CE1-CD1 4.06Å; F404-I407 PolarHBondContact O-N 3.09Å; F404-R408 PolarHBondContact O-N 3.01Å
405R26.9Very low31.6Very low146 Ų14694.6 Ų94.655%0.55149%0.489SS*.THydrogen-bonded Turntrans-57.2-28.7169.1-99176.7-160.8155.310112.3R401 E402 C403 I407 R408R401-R405 WeakPolarHBondContact O-CB 3.43Å; R401-R405 WeakPolarHBondContact O-CG 3.46Å; R401-R405 PolarHBondContact O-N 2.72Å; E402-R405 IonicContact OE1-CZ 3.06Å; E402-R405 IonicContact OE1-NH1 3.8Å; E402-R405 PolarHBondContact OE1-NH1 3.13Å; E402-R405 IonicContact OE1-NH2 2.7Å; E402-R405 PolarHBondContact OE1-NH2 2.86Å; C403-R405 VanDerWaalsContact C-N 3.3Å; C403-R405 PolarHBondContact O-N 2.61Å; R405-I407 VanDerWaalsContact C-N 3.27Å; R405-I407 PolarHBondContact O-N 3.1Å; R405-R408 PolarHBondContact O-N 3.48Å
406F25.1Very low30.7Very low180 Ų18094.4 Ų94.479%0.78949%0.488SS*.THydrogen-bonded Turntrans-72-21.6175.8-143.4-91.4000113.2C403 F404 S409C403-F406 PolarHBondContact O-N 2.62Å; F404-F406 PolarHBondContact O-N 3.48Å; F406-S409 PolarHBondContact O-OG 2.7Å
407I30.9Very low30Very low53 Ų5396.7 Ų96.727%0.27250%0.5SS..THydrogen-bonded Turntrans-91.4-27.5175.7-60.4-178.2000111.4F404 R405 S409 F410F404-I407 HydrophobicContact CD1-CD1 3.93Å; F404-I407 HydrophobicContact CE1-CD1 4.06Å; F404-I407 PolarHBondContact O-N 3.09Å; R405-I407 VanDerWaalsContact C-N 3.27Å; R405-I407 PolarHBondContact O-N 3.1Å; I407-S409 PolarHBondContact O-N 3.37Å; I407-F410 PolarHBondContact O-N 2.87Å
408R32.5Very low29.7Very low107 Ų10799.9 Ų99.940%0.40450%0.502SS..G310 helixtrans-55.4-22.8177.4-79.4-176157.9-142.7-14.1115.4E373 F404 R405 F410 W411 N412E373-R408 IonicContact OE1-NH2 3.21Å; F404-R408 PolarHBondContact O-N 3.01Å; R405-R408 PolarHBondContact O-N 3.48Å; R408-F410 PolarHBondContact O-N 2.87Å; R408-W411 PolarHBondContact O-N 3.46Å; R408-N412 PolarHBondContact O-N 2.99Å
409S29.1Very low29.4Very low61 Ų6197.3 Ų97.343%0.42749%0.488SS..G310 helixtrans-63.7-6.3-176.963.10000115.6F406 I407 V413F406-S409 PolarHBondContact O-OG 2.7Å; I407-S409 PolarHBondContact O-N 3.37Å; S409-V413 WeakPolarHBondContact O-CG2 3.49Å
410F29.2Very low29.4Very low63 Ų6399.8 Ų99.828%0.27648%0.476SS..G310 helixtrans-117.24.1177.7-90.6-92.6000115R110 G225 V226 L228 I407 R408R110-F410 VanDerWaalsContact NH1-CD2 3.34Å; G225-F410 CarbonylContact O-C 3.14Å; V226-F410 HydrophobicContact CG1-CD1 4.37Å; V226-F410 HydrophobicContact CG1-CE1 4.43Å; L228-F410 HydrophobicContact CD1-CE1 4.26Å; I407-F410 PolarHBondContact O-N 2.87Å; R408-F410 PolarHBondContact O-N 2.87Å
411W27.9Very low29.1Very low101 Ų101102.5 Ų102.538%0.38348%0.483SS..THydrogen-bonded Turntrans-133-9.9179.2-70100.5000114.2F224 R408F224-W411 HydrophobicContact CB-CZ3 4.21Å; F224-W411 VanDerWaalsContact O-CZ3 3.25Å; F224-W411 WeakPolarHBondContact O-CZ3 3.46Å; R408-W411 PolarHBondContact O-N 3.46Å
412N27.6Very low28.9Very low118 Ų118102.1 Ų102.163%0.63149%0.489SS*.  trans-141.752.5176.6-87.5-85.5000112R408R408-N412 PolarHBondContact O-N 2.99Å
413V35.2Very low29.1Very low83 Ų8399.8 Ų99.850%0.50348%0.48SS..  trans-117.80161.8-158.20000121F227 S409F227-V413 HydrophobicContact CB-CB 3.74Å; F227-V413 HydrophobicContact CB-CG1 3.76Å; F227-V413 HydrophobicContact CD1-CB 4.19Å; F227-V413 HydrophobicContact CD1-CG1 3.97Å; F227-V413 WeakPolarHBondContact CD1-O 3.36Å; F227-V413 WeakPolarHBondContact CD1-OXT 3.27Å; F227-V413 HydrophobicContact CD2-CB 3.03Å; F227-V413 HydrophobicContact CD2-CG1 4.07Å; F227-V413 HydrophobicContact CD2-CG2 4.2Å; F227-V413 WeakPolarHBondContact CD2-O 3.39Å; F227-V413 WeakPolarHBondContact CE1-O 3.41Å; F227-V413 WeakPolarHBondContact CE1-OXT 3.24Å; F227-V413 HydrophobicContact CE2-CB 4.03Å; F227-V413 WeakPolarHBondContact CE2-O 3.36Å; F227-V413 WeakPolarHBondContact CE2-OXT 3.43Å; F227-V413 HydrophobicContact CG-CB 3.11Å; F227-V413 HydrophobicContact CG-CG1 3.36Å; F227-V413 WeakPolarHBondContact CG-O 3.44Å; F227-V413 WeakPolarHBondContact CG-OXT 3.37Å; F227-V413 VanDerWaalsContact CZ-CA 3.48Å; F227-V413 WeakPolarHBondContact CZ-O 3.45Å; F227-V413 WeakPolarHBondContact CZ-OXT 3.34Å; S409-V413 WeakPolarHBondContact O-CG2 3.49Å

Retrieved 413 of 413 residues in 857.6 ms (Link to these results)

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