A0A3Q0KS72_SCHMA Loading...

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

AlphaFold DB (A0A3Q0KSH1), UniProt , Accession A0A3Q0KS72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 402 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
1M42Very low43.7Very low255 Ų255150.5 Ų150.5100%1.25681%0.811SS**  0123.10-72.7175.6177.100107.2
2G41.4Very low44.1Very low79 Ų79152.3 Ų152.381%0.81481%0.806SS**  trans121.790.8177.600000113.5
3H42.3Very low44.5Very low179 Ų179154.8 Ų154.883%0.82981%0.806SS**  trans-64.7154.8172.4-68.4-91.1000112.8
4L42.8Very low44.7Very low149 Ų149156.4 Ų156.478%0.7880%0.804SS**  168108.1118.2-108.181000109.5
5L42.4Very low44.6Very low148 Ų148152.4 Ų152.478%0.77580%0.796SS**  87.994.8104.7-83.4170.2000113.9
6W42.4Very low44.8Very low239 Ų239151.6 Ų151.691%0.90579%0.791SS**  trans-68.9121161.1-98.836.2000110.3
7T44.1Very low44.6Very low125 Ų125153.1 Ų153.177%0.76779%0.792SS**  trans-101.3104.4163.142.30000109I9T7-I9 PolarHBondContact O-N 3.44Å
8C42.6Very low44.5Very low101 Ų101150.8 Ų150.868%0.68279%0.786SS**  trans-72.3112.1166.5-79.20000109.5I10C8-I10 PolarHBondContact O-N 3.37Å
9I47.5Very low44.1Very low146 Ų146147.3 Ų147.375%0.74978%0.781SS**  trans-81.3108.8167.8-65.3172.6000107.3T7 C11T7-I9 PolarHBondContact O-N 3.44Å; I9-C11 PolarHBondContact O-N 3.25Å
10I47.8Very low43.8Very low139 Ų139148.6 Ų148.671%0.71378%0.782SS**  trans-80.9103.2168.9-64173.8000107C8 F12C8-I10 PolarHBondContact O-N 3.37Å; I10-F12 HydrophobicContact CG2-CD2 4.01Å; I10-F12 HydrophobicContact CG2-CE2 4.12Å; I10-F12 PolarHBondContact O-N 3.37Å
11C45.7Very low43.6Very low96 Ų96149 Ų14965%0.64978%0.784SS**  trans-73.6103.5168.5-74.10000109.6I9 F13I9-C11 PolarHBondContact O-N 3.25Å; C11-F13 PolarHBondContact O-N 3.17Å
12F47.8Very low44Very low172 Ų172143.4 Ų143.475%0.75475%0.754SS**  trans-72102.8163-97.1-92.3000109.1I10 F14I10-F12 HydrophobicContact CG2-CD2 4.01Å; I10-F12 HydrophobicContact CG2-CE2 4.12Å; I10-F12 PolarHBondContact O-N 3.37Å; F12-F14 PolarHBondContact O-N 3.23Å
13F49.8Very low45.1Very low184 Ų184142 Ų14281%0.80773%0.732SS**  trans-72.699.4163.5-85.9-89.4000108.8C11 S15C11-F13 PolarHBondContact O-N 3.17Å; F13-S15 PolarHBondContact O-N 3.04Å
14F46.9Very low47.3Very low178 Ų178138.9 Ų138.978%0.78172%0.718SS**  trans-75.495.9160.4-101.4-91.5000108.2F12 I16F12-F14 PolarHBondContact O-N 3.23Å; F14-I16 PolarHBondContact O-N 3.21Å
15S43.4Very low49.8Very low96 Ų96133 Ų13367%0.67169%0.686SS**  trans-68.596.5163.2-65.10000108.3F13 H17F13-S15 PolarHBondContact O-N 3.04Å; S15-H17 VanDerWaalsContact C-N 3.31Å; S15-H17 PolarHBondContact O-N 2.98Å
16I47.6Very low52.5Low140 Ų140127.5 Ų127.572%0.71866%0.655SS**  trans-6994.8165.6-59.1175.8000106.4F14 V18F14-I16 PolarHBondContact O-N 3.21Å; I16-V18 VanDerWaalsContact C-N 3.25Å; I16-V18 HydrophobicContact CG2-CG2 3.83Å; I16-V18 PolarHBondContact O-N 2.95Å
17H42.6Very low55.2Low177 Ų177116.1 Ų116.182%0.81961%0.612SS**  trans-68.191.9160.6-84.5-27000107.9S15 A19S15-H17 VanDerWaalsContact C-N 3.31Å; S15-H17 PolarHBondContact O-N 2.98Å; H17-A19 PolarHBondContact O-N 2.96Å
18V42Very low57.8Low111 Ų111110.1 Ų110.167%0.67358%0.575SS**  trans-65.794.3157.9-177.80000105.7I16 H20I16-V18 VanDerWaalsContact C-N 3.25Å; I16-V18 HydrophobicContact CG2-CG2 3.83Å; I16-V18 PolarHBondContact O-N 2.95Å; V18-H20 VanDerWaalsContact C-N 3.26Å; V18-H20 PolarHBondContact O-N 2.88Å
19A36.3Very low60.5Low85 Ų85105.3 Ų105.370%0.70254%0.543SS*.  trans-61.798.1162.700000106.4H17 I21H17-A19 PolarHBondContact O-N 2.96Å; A19-I21 VanDerWaalsContact C-N 3.28Å; A19-I21 PolarHBondContact O-N 2.9Å
20H39Very low62.9Low172 Ų17298.4 Ų98.480%0.79651%0.507SS*.  trans-58.7101.8162.4-111.1-66000105.6V18 Q22V18-H20 VanDerWaalsContact C-N 3.26Å; V18-H20 PolarHBondContact O-N 2.88Å; H20-Q22 PolarHBondContact O-N 2.79Å
21I38.7Very low65.3Low159 Ų15991.8 Ų91.882%0.81547%0.473SS*.  trans-63.991.5163.3-62.7172.8000104.2A19 S23A19-I21 VanDerWaalsContact C-N 3.28Å; A19-I21 PolarHBondContact O-N 2.9Å; I21-S23 PolarHBondContact O-N 3.13Å; I21-S23 VanDerWaalsContact O-N 3.13Å
22Q51.5Low67.8Low137 Ų13787.2 Ų87.264%0.6444%0.442SS*.  trans-63.9115172.3-160.7169.720.800104.9H20 E24H20-Q22 PolarHBondContact O-N 2.79Å; Q22-E24 PolarHBondContact O-N 3.23Å
23S64Low70.2Confident49 Ų4979.1 Ų79.134%0.34341%0.407SS..PPolyproline II helixtrans-51.1129.4176.353.40000108.2I21 K25 G392I21-S23 PolarHBondContact O-N 3.13Å; I21-S23 VanDerWaalsContact O-N 3.13Å; S23-K25 PolarHBondContact O-N 2.63Å; S23-G392 PolarHBondContact OG-O 3.21Å
24E88.5Confident72.4Confident113 Ų11372.8 Ų72.853%0.52838%0.382SS..PPolyproline II helixtrans-57.9127.7179.2-169.7175.2-159.400109Q22 Y26Q22-E24 PolarHBondContact O-N 3.23Å; E24-Y26 HydrophobicContact CB-CE1 4.49Å; E24-Y26 HydrophobicContact CB-CE2 4.36Å; E24-Y26 HydrophobicContact CG-CE1 3.83Å; E24-Y26 WeakPolarHBondContact O-CE2 3.47Å; E24-Y26 PolarHBondContact OE2-OH 3.38Å
25K96.2Very high74.7Confident25 Ų2564.6 Ų64.611%0.10935%0.348CS..PPolyproline II helixtrans-97.2132.3-175.9-55.9-173.2179.9177.70109.8S23 D124 F126 F127 R168 V391S23-K25 PolarHBondContact O-N 2.63Å; K25-D124 VanDerWaalsContact CE-OD2 3.27Å; K25-D124 WeakPolarHBondContact CE-OD2 3.18Å; K25-D124 IonicContact NZ-OD1 2.77Å; K25-D124 PolarHBondContact NZ-OD1 3.12Å; K25-D124 IonicContact NZ-OD2 3.93Å; K25-D124 PolarHBondContact NZ-OD2 2.99Å; K25-F126 HydrophobicContact CB-CD1 3.53Å; K25-F126 HydrophobicContact CB-CD2 4.37Å; K25-F126 HydrophobicContact CB-CE1 3.68Å; K25-F126 HydrophobicContact CB-CG 3.88Å; K25-F126 HydrophobicContact CB-CZ 4.18Å; K25-F126 HydrophobicContact CD-CB 3.48Å; K25-F126 VanDerWaalsContact CD-CB 3.48Å; K25-F126 HydrophobicContact CD-CD1 4Å; K25-F126 HydrophobicContact CD-CD2 4.45Å; K25-F126 HydrophobicContact CD-CG 3.71Å; K25-F126 HydrophobicContact CG-CD1 4.4Å; K25-F126 HydrophobicContact CG-CG 4.45Å; K25-F127 HydrophobicContact CB-CZ 4.49Å; K25-F127 HydrophobicContact CD-CE2 4.41Å; K25-R168 WeakPolarHBondContact O-CD 3.31Å; K25-V391 CarbonylContact C-O 3.54Å; K25-V391 VanDerWaalsContact CA-O 3.27Å; K25-V391 WeakPolarHBondContact CA-O 3.39Å
26Y98Very high77.2Confident33 Ų3360.2 Ų60.213%0.12932%0.318CS..  trans-114.1130.9-177.5-57.9-72.3000110.3E24 F127 R168 S169 K199 V391E24-Y26 HydrophobicContact CB-CE1 4.49Å; E24-Y26 HydrophobicContact CB-CE2 4.36Å; E24-Y26 HydrophobicContact CG-CE1 3.83Å; E24-Y26 WeakPolarHBondContact O-CE2 3.47Å; E24-Y26 PolarHBondContact OE2-OH 3.38Å; Y26-F127 WeakPolarHBondContact O-CE1 3.32Å; Y26-R168 HydrophobicContact CD1-CB 4.4Å; Y26-S169 WeakPolarHBondContact CD1-O 3.46Å; Y26-K199 HydrophobicContact CD1-CB 4.24Å; Y26-K199 HydrophobicContact CD1-CD 4Å; Y26-K199 HydrophobicContact CD1-CG 3.94Å; Y26-K199 HydrophobicContact CD2-CD 4.31Å; Y26-K199 HydrophobicContact CD2-CG 3.98Å; Y26-K199 HydrophobicContact CE1-CD 3.64Å; Y26-K199 HydrophobicContact CE1-CG 4.11Å; Y26-K199 HydrophobicContact CE2-CD 3.94Å; Y26-K199 HydrophobicContact CE2-CG 4.1Å; Y26-K199 HydrophobicContact CG-CB 4.36Å; Y26-K199 HydrophobicContact CG-CD 4.33Å; Y26-K199 HydrophobicContact CG-CG 3.88Å; Y26-K199 VanDerWaalsContact CZ-CE 3.45Å; Y26-K199 WeakPolarHBondContact OH-CE 3.46Å; Y26-V391 PolarHBondContact N-O 2.82Å
27P98.6Very high79.5Confident0 Ų053.5 Ų53.50%028%0.283CS..  trans-66.8160.6172.834.4-39.6000110.5T132 T161 V170 V171P27-T132 CarbonylContact C-O 3.59Å; P27-T132 WeakPolarHBondContact CA-O 3.11Å; P27-T132 HydrophobicContact CB-CG2 4.31Å; P27-T132 WeakPolarHBondContact CB-O 3.44Å; P27-T161 HydrophobicContact CB-CG2 3.65Å; P27-T161 HydrophobicContact CG-CG2 4.02Å; P27-V170 HydrophobicContact CG-CG2 4.04Å; P27-V170 WeakPolarHBondContact O-CA 3.47Å; P27-V171 PolarHBondContact O-N 2.83Å
28I98.9Very high82Confident0 Ų045.4 Ų45.40%025%0.246CC..EExtended strand (participates in β ladder)trans-129.5137.2-172.4-171.6174.2000112I30 L121 T132 I133 R134 V171 L173 I387 V391I28-I30 HydrophobicContact CD1-CG1 4.23Å; I28-I30 HydrophobicContact CG1-CG1 4.19Å; I28-L121 HydrophobicContact CG2-CD1 4.11Å; I28-T132 PolarHBondContact N-O 3.42Å; I28-I133 HydrophobicContact CG2-CB 4.18Å; I28-I133 HydrophobicContact CG2-CG1 4.18Å; I28-I133 HydrophobicContact CG2-CG2 3.88Å; I28-R134 PolarHBondContact O-N 2.93Å; I28-V171 WeakPolarHBondContact CA-O 3.41Å; I28-V171 HydrophobicContact CB-CB 4.4Å; I28-V171 HydrophobicContact CD1-CG1 4.37Å; I28-V171 HydrophobicContact CG1-CB 4.23Å; I28-V171 HydrophobicContact CG1-CG1 4.23Å; I28-V171 WeakPolarHBondContact CG1-O 3.1Å; I28-L173 HydrophobicContact CD1-CB 4.14Å; I28-L173 HydrophobicContact CD1-CD1 4.4Å; I28-L173 HydrophobicContact CG1-CB 4.42Å; I28-I387 HydrophobicContact CD1-CD1 3.93Å; I28-I387 HydrophobicContact CD1-CG1 4.04Å; I28-V391 HydrophobicContact CB-CG1 4.36Å; I28-V391 HydrophobicContact CD1-CG1 4.24Å
29V98.9Very high84.6Confident0 Ų040.1 Ų40.10%021%0.214CC..EExtended strand (participates in β ladder)trans-115128.4169.5175.50000108.9R134 A136 L154 L157 I158 T161 V170 V171 L172 L173V29-R134 CarbonylContact C-O 3.53Å; V29-R134 WeakPolarHBondContact CA-O 3.36Å; V29-R134 HydrophobicContact CG2-CB 4.17Å; V29-A136 HydrophobicContact CG1-CB 4.31Å; V29-L154 HydrophobicContact CG1-CD1 3.88Å; V29-L157 HydrophobicContact CG1-CD2 3.92Å; V29-I158 HydrophobicContact CB-CG1 4.47Å; V29-I158 HydrophobicContact CG2-CG1 4.05Å; V29-T161 HydrophobicContact CG2-CG2 3.97Å; V29-V170 HydrophobicContact CB-CG1 4.11Å; V29-V170 HydrophobicContact CG2-CG1 3.64Å; V29-V171 PolarHBondContact N-O 2.95Å; V29-L172 HydrophobicContact CB-CD1 4.02Å; V29-L172 HydrophobicContact CG1-CD1 3.98Å; V29-L173 PolarHBondContact O-N 3.23Å
30I98.9Very high87.5Confident0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-112120.1-174.1-58.5158.1000110.1I28 I100 M117 I118 I133 R134 A136 L173I28-I30 HydrophobicContact CD1-CG1 4.23Å; I28-I30 HydrophobicContact CG1-CG1 4.19Å; I30-I100 HydrophobicContact CB-CD1 3.86Å; I30-I100 HydrophobicContact CD1-CD1 4.27Å; I30-I100 HydrophobicContact CG2-CD1 3.8Å; I30-M117 HydrophobicContact CD1-CE 3.45Å; I30-M117 VanDerWaalsContact CD1-CE 3.45Å; I30-M117 HydrophobicContact CG1-CE 4.08Å; I30-I118 HydrophobicContact CD1-CD1 3.93Å; I30-I118 HydrophobicContact CD1-CG1 4.02Å; I30-I133 HydrophobicContact CD1-CG2 3.97Å; I30-R134 PolarHBondContact N-O 3.38Å; I30-A136 PolarHBondContact O-N 3.35Å; I30-L173 CarbonylContact C-O 3.58Å; I30-L173 WeakPolarHBondContact CA-O 3.42Å; I30-L173 HydrophobicContact CG2-CD2 3.93Å
31I98.8Very high90.3Very high0 Ų029.9 Ų29.90%015%0.15CC..EExtended strand (participates in β ladder)trans-98.9113.4172-48.4173.6000108.3A136 F138 F150 L154 L172 L173 H175I31-A136 HydrophobicContact CG1-CB 4.31Å; I31-F138 HydrophobicContact CG2-CD1 4.15Å; I31-F138 HydrophobicContact CG2-CE1 3.73Å; I31-F150 HydrophobicContact CD1-CZ 4.44Å; I31-F150 HydrophobicContact CG2-CZ 4.17Å; I31-L154 HydrophobicContact CD1-CD2 3.79Å; I31-L172 HydrophobicContact CD1-CD1 3.92Å; I31-L172 HydrophobicContact CD1-CD2 4.38Å; I31-L172 HydrophobicContact CD1-CG 4.34Å; I31-L172 HydrophobicContact CG1-CD1 4.1Å; I31-L173 PolarHBondContact N-O 2.93Å; I31-H175 PolarHBondContact O-N 2.89Å
32P98.5Very high93Very high0 Ų026.7 Ų26.70%013%0.13CC..  trans-71.2167.9-177.130.6-35.5000113.1G36 C37 I100 Y113 A136 F138 G178P32-G36 WeakPolarHBondContact CB-O 3.46Å; P32-C37 HydrophobicContact CG-CB 4.25Å; P32-I100 HydrophobicContact CB-CG2 3.98Å; P32-I100 HydrophobicContact CG-CG2 3.88Å; P32-Y113 HydrophobicContact CB-CE1 3.78Å; P32-A136 VanDerWaalsContact CD-O 3.31Å; P32-A136 WeakPolarHBondContact CD-O 3.4Å; P32-F138 HydrophobicContact CG-CD1 4.17Å; P32-F138 HydrophobicContact CG-CE1 3.91Å; P32-F138 VanDerWaalsContact O-CE1 3.24Å; P32-F138 WeakPolarHBondContact O-CE1 3.47Å; P32-G178 WeakPolarHBondContact O-CA 3.44Å; P32-G178 PolarHBondContact O-N 2.9Å
33G98Very high95.2Very high2 Ų222.4 Ų22.42%0.02111%0.112CC..  trans-82.4-173.3175.400000113.6G35 G36 Y113 H175G33-G35 PolarHBondContact O-N 3.42Å; G33-G36 WeakPolarHBondContact O-CA 3.43Å; G33-G36 PolarHBondContact O-N 3.43Å; G33-Y113 PolarHBondContact N-OH 3.21Å; G33-H175 WeakPolarHBondContact CA-O 3.37Å; G33-H175 PolarHBondContact N-O 3.18Å
34D96.2Very high96.6Very high51 Ų5123.5 Ų23.527%0.27311%0.11SC..THydrogen-bonded Turntrans-61.2128.3169.5-174.148.5000109.6G36 F140 L177 L244D34-G36 PolarHBondContact O-N 3.14Å; D34-F140 WeakPolarHBondContact OD1-CD2 3.45Å; D34-F140 VanDerWaalsContact OD1-O 3.13Å; D34-L177 HydrophobicContact CB-CB 4.13Å; D34-L177 HydrophobicContact CB-CD2 3.92Å; D34-L244 WeakPolarHBondContact OD2-CD2 3.5Å
35G94.5Very high96.7Very high7 Ų726.7 Ų26.77%0.07213%0.131CC..THydrogen-bonded Turntrans68.76.8-171.500000115.4G33 C37 W54G33-G35 PolarHBondContact O-N 3.42Å; G35-C37 VanDerWaalsContact C-N 3.3Å; G35-C37 PolarHBondContact O-N 3.39Å; G35-W54 VanDerWaalsContact CA-NE1 3.34Å; G35-W54 PolarHBondContact O-NE1 3.42Å
36G95.7Very high96.5Very high3 Ų327.4 Ų27.43%0.03114%0.139CC..  trans-85.914.9-170.500000115.7P32 G33 D34 Y113P32-G36 WeakPolarHBondContact CB-O 3.46Å; G33-G36 WeakPolarHBondContact O-CA 3.43Å; G33-G36 PolarHBondContact O-N 3.43Å; D34-G36 PolarHBondContact O-N 3.14Å; G36-Y113 VanDerWaalsContact O-CD1 3.25Å; G36-Y113 WeakPolarHBondContact O-CD1 3.3Å; G36-Y113 WeakPolarHBondContact O-CE1 3.31Å
37C95.8Very high96.2Very high0 Ų033.1 Ų33.10%018%0.178CC..SBendtrans-147.2163.5169.767.90000111.4P32 G35 S99 I100 P137 F140P32-C37 HydrophobicContact CG-CB 4.25Å; G35-C37 VanDerWaalsContact C-N 3.3Å; G35-C37 PolarHBondContact O-N 3.39Å; C37-S99 CarbonylContact C-O 3.59Å; C37-S99 WeakPolarHBondContact CA-O 3.32Å; C37-I100 HydrophobicContact CB-CG2 3.82Å; C37-P137 HydrophobicContact CB-CB 3.65Å; C37-F140 WeakPolarHBondContact O-CE1 3.24Å
38Q95.8Very high95.9Very high7 Ų735.9 Ų35.93%0.03320%0.197CC..  trans-64.4143.7173.3-60.4-166.117.100111.9Y40 L52 W54 W98 S99 N102 L103 D104Q38-Y40 HydrophobicContact CB-CE2 4.08Å; Q38-Y40 PolarHBondContact OE1-OH 2.87Å; Q38-L52 HydrophobicContact CB-CD1 3.91Å; Q38-L52 HydrophobicContact CG-CD1 4.16Å; Q38-W54 CarbonylContact C-O 3.25Å; Q38-W54 VanDerWaalsContact CA-O 3.26Å; Q38-W54 WeakPolarHBondContact CA-O 3.27Å; Q38-W98 HydrophobicContact CG-CZ3 4.5Å; Q38-S99 PolarHBondContact N-O 3.27Å; Q38-N102 PolarHBondContact NE2-O 2.78Å; Q38-L103 WeakPolarHBondContact CG-O 3.5Å; Q38-D104 PolarHBondContact NE2-O 3.01Å
39A96.5Very high95.7Very high0 Ų040.9 Ų40.90%023%0.229CC..EExtended strand (participates in β ladder)trans-127.5140168.900000109.9V53 W54 F70 V89 F91A39-V53 HydrophobicContact CB-CG1 4.12Å; A39-V53 WeakPolarHBondContact O-CG1 3.47Å; A39-V53 PolarHBondContact O-N 2.87Å; A39-W54 HydrophobicContact CB-CB 3.81Å; A39-W54 PolarHBondContact N-O 3.32Å; A39-W54 PolarHBondContact O-N 3.18Å; A39-F70 HydrophobicContact CB-CD2 4.44Å; A39-F70 HydrophobicContact CB-CE2 3.77Å; A39-V89 HydrophobicContact CB-CG1 4.31Å; A39-F91 HydrophobicContact CB-CD1 3.74Å; A39-F91 HydrophobicContact CB-CE1 3.43Å; A39-F91 VanDerWaalsContact CB-CE1 3.43Å; A39-F91 HydrophobicContact CB-CZ 4.02Å
40Y96.6Very high95.5Very high41 Ų4143.3 Ų43.316%0.16125%0.245CC..EExtended strand (participates in β ladder)trans-119.2145.3179-75.8-108.2000109.9Q38 F51 L52 V89 Y90 P92 W98Q38-Y40 HydrophobicContact CB-CE2 4.08Å; Q38-Y40 PolarHBondContact OE1-OH 2.87Å; Y40-F51 CarbonylContact C-O 3.35Å; Y40-F51 WeakPolarHBondContact CA-O 2.89Å; Y40-L52 HydrophobicContact CD1-CB 4.49Å; Y40-L52 HydrophobicContact CD2-CD1 4.15Å; Y40-L52 HydrophobicContact CE1-CB 4.13Å; Y40-L52 HydrophobicContact CE1-CD1 4.45Å; Y40-L52 HydrophobicContact CE2-CD1 3.69Å; Y40-V89 CarbonylContact O-C 3.53Å; Y40-V89 VanDerWaalsContact O-CA 3.32Å; Y40-V89 WeakPolarHBondContact O-CA 3.38Å; Y40-Y90 VanDerWaalsContact CB-CE2 3.46Å; Y40-Y90 VanDerWaalsContact CB-OH 3.31Å; Y40-Y90 WeakPolarHBondContact CB-OH 3.44Å; Y40-Y90 HydrophobicContact CD2-CE2 4.28Å; Y40-Y90 AromaticContact CG-CE2 3.94Å; Y40-Y90 HydrophobicContact CG-CE2 3.94Å; Y40-Y90 AromaticContact CG-CZ 3.85Å; Y40-Y90 PolarHBondContact N-O 2.9Å; Y40-Y90 PolarHBondContact O-N 3.36Å; Y40-P92 HydrophobicContact CD2-CG 3.59Å; Y40-P92 HydrophobicContact CE2-CG 3.73Å; Y40-W98 HydrophobicContact CE2-CH2 4.29Å
41S96.9Very high95.3Very high0 Ų045.4 Ų45.40%025%0.254CS..EExtended strand (participates in β ladder)trans-114140.7174.6163.90000109.9P50 F51 A87 E88S41-P50 WeakPolarHBondContact O-CA 3.26Å; S41-F51 PolarHBondContact N-O 2.83Å; S41-F51 VanDerWaalsContact O-CD1 3.23Å; S41-F51 WeakPolarHBondContact O-CD1 3.46Å; S41-F51 WeakPolarHBondContact O-CE1 3.34Å; S41-F51 PolarHBondContact O-N 2.88Å; S41-F51 VanDerWaalsContact OG-CZ 3.26Å; S41-F51 WeakPolarHBondContact OG-CZ 3.27Å; S41-A87 WeakPolarHBondContact OG-CB 3.46Å; S41-E88 CarbonylContact C-O 3.55Å; S41-E88 WeakPolarHBondContact CA-O 3.29Å
42K96.8Very high95.1Very high92 Ų9246 Ų4640%0.426%0.258SS..EExtended strand (participates in β ladder)trans-120.7123169.9-174.1-177.3-179.4-176.90108.8K44 P50 A87 E88K42-K44 PolarHBondContact O-N 2.95Å; K42-P50 HydrophobicContact CB-CB 4.39Å; K42-P50 HydrophobicContact CB-CG 4.17Å; K42-P50 HydrophobicContact CD-CG 4.25Å; K42-P50 HydrophobicContact CG-CG 4.23Å; K42-A87 CarbonylContact O-C 3.58Å; K42-A87 VanDerWaalsContact O-CA 3.23Å; K42-A87 WeakPolarHBondContact O-CA 3.4Å; K42-E88 PolarHBondContact N-O 3.49Å; K42-E88 PolarHBondContact O-N 2.86Å
43L96.1Very high94.9Very high48 Ų4846 Ų4625%0.25126%0.258SS..EExtended strand (participates in β ladder)trans-67.6129.1176-62.2-179.8000110.1S46 F51 Y69 I86 A87L43-S46 PolarHBondContact O-N 3.17Å; L43-F51 HydrophobicContact CD2-CE1 4.36Å; L43-F51 HydrophobicContact CD2-CZ 4.4Å; L43-F51 HydrophobicContact CG-CE1 4.07Å; L43-Y69 HydrophobicContact CD2-CD1 3.72Å; L43-Y69 HydrophobicContact CD2-CE1 3.61Å; L43-I86 CarbonylContact C-O 3.58Å; L43-I86 WeakPolarHBondContact CA-O 3.35Å; L43-A87 HydrophobicContact CD2-CB 4.28Å
44K94.2Very high94.6Very high71 Ų7146.9 Ų46.931%0.30926%0.261SS..THydrogen-bonded Turntrans-64.6142.9170.3-70.7167.7176.3166.20108.5K42 S46 P84 D85 I86 A87 E88K42-K44 PolarHBondContact O-N 2.95Å; K44-S46 PolarHBondContact O-N 2.96Å; K44-P84 PolarHBondContact NZ-O 2.96Å; K44-D85 WeakPolarHBondContact CD-O 3.35Å; K44-I86 PolarHBondContact N-O 3.06Å; K44-A87 VanDerWaalsContact CE-O 3.3Å; K44-A87 WeakPolarHBondContact CE-O 3.35Å; K44-A87 PolarHBondContact NZ-O 2.82Å; K44-E88 HydrophobicContact CD-CG 4.33Å; K44-E88 HydrophobicContact CG-CG 4.03Å
45N91.4Very high94.1Very high181 Ų18145.6 Ų45.697%0.96825%0.253SS*.THydrogen-bonded Turntrans60.220.1-177.2-50.8-35.9000115.1
46S92Very high93.6Very high40 Ų4046.1 Ų46.128%0.2826%0.255SS..  trans-115145.6172.4-174.80000111.4L43 K44 S48L43-S46 PolarHBondContact O-N 3.17Å; K44-S46 PolarHBondContact O-N 2.96Å; S46-S48 VanDerWaalsContact C-N 3.3Å; S46-S48 WeakPolarHBondContact OG-CB 3.28Å; S46-S48 PolarHBondContact OG-N 3.41Å; S46-S48 VanDerWaalsContact OG-N 3.07Å; S46-S48 PolarHBondContact OG-OG 3.41Å
47T91.7Very high93Very high152 Ų15249.8 Ų49.893%0.93327%0.273SS*.  trans-84.6-5169.655.70000112.6
48S92.2Very high92.5Very high59 Ų5956.5 Ų56.541%0.41330%0.298SS..SBendtrans-59.4141.3177.7-56.80000111.1S46S46-S48 VanDerWaalsContact C-N 3.3Å; S46-S48 WeakPolarHBondContact OG-CB 3.28Å; S46-S48 PolarHBondContact OG-N 3.41Å; S46-S48 VanDerWaalsContact OG-N 3.07Å; S46-S48 PolarHBondContact OG-OG 3.41Å
49P94.2Very high92.1Very high104 Ų10457 Ų5768%0.67530%0.3SS*.PPolyproline II helixtrans-62.1155.6171.929.5-35.1000109.5
50P94.9Very high91.5Very high51 Ų5157.1 Ų57.133%0.33130%0.3SS..PPolyproline II helixtrans-54.8151167.5-25.935.4000113S41 K42 Y90S41-P50 WeakPolarHBondContact O-CA 3.26Å; K42-P50 HydrophobicContact CB-CB 4.39Å; K42-P50 HydrophobicContact CB-CG 4.17Å; K42-P50 HydrophobicContact CD-CG 4.25Å; K42-P50 HydrophobicContact CG-CG 4.23Å; P50-Y90 HydrophobicContact CB-CE1 3.62Å; P50-Y90 WeakPolarHBondContact CB-OH 3.45Å; P50-Y90 HydrophobicContact CG-CE1 3.88Å; P50-Y90 VanDerWaalsContact CG-OH 3.28Å; P50-Y90 WeakPolarHBondContact CG-OH 3.17Å
51F94.5Very high91.2Very high44 Ų4460.1 Ų60.119%0.19332%0.319CS..EExtended strand (participates in β ladder)trans-129.4150.4-179.756.3-89.6000110.7Y40 S41 L43 V53 Y59 Y69Y40-F51 CarbonylContact C-O 3.35Å; Y40-F51 WeakPolarHBondContact CA-O 2.89Å; S41-F51 PolarHBondContact N-O 2.83Å; S41-F51 VanDerWaalsContact O-CD1 3.23Å; S41-F51 WeakPolarHBondContact O-CD1 3.46Å; S41-F51 WeakPolarHBondContact O-CE1 3.34Å; S41-F51 PolarHBondContact O-N 2.88Å; S41-F51 VanDerWaalsContact OG-CZ 3.26Å; S41-F51 WeakPolarHBondContact OG-CZ 3.27Å; L43-F51 HydrophobicContact CD2-CE1 4.36Å; L43-F51 HydrophobicContact CD2-CZ 4.4Å; L43-F51 HydrophobicContact CG-CE1 4.07Å; F51-V53 HydrophobicContact CE2-CB 4.26Å; F51-V53 HydrophobicContact CE2-CG2 4.46Å; F51-V53 PolarHBondContact O-N 2.95Å; F51-Y59 WeakPolarHBondContact CD2-OH 3.2Å; F51-Y59 AromaticContact CE2-CZ 3.96Å; F51-Y59 WeakPolarHBondContact CE2-OH 3.47Å; F51-Y69 HydrophobicContact CE2-CD2 4.04Å; F51-Y69 HydrophobicContact CE2-CG 4.41Å; F51-Y69 AromaticContact CZ-CD2 3.95Å; F51-Y69 HydrophobicContact CZ-CD2 3.95Å; F51-Y69 HydrophobicContact CZ-CE2 4.43Å; F51-Y69 HydrophobicContact CZ-CG 4.05Å
52L94.3Very high90.9Very high13 Ų1364.1 Ų64.17%0.06834%0.337CS..EExtended strand (participates in β ladder)trans-61.9122.1173.4-174.172.2000108.7Q38 Y40 W54 I55 D56 Y59Q38-L52 HydrophobicContact CB-CD1 3.91Å; Q38-L52 HydrophobicContact CG-CD1 4.16Å; Y40-L52 HydrophobicContact CD1-CB 4.49Å; Y40-L52 HydrophobicContact CD2-CD1 4.15Å; Y40-L52 HydrophobicContact CE1-CB 4.13Å; Y40-L52 HydrophobicContact CE1-CD1 4.45Å; Y40-L52 HydrophobicContact CE2-CD1 3.69Å; L52-W54 VanDerWaalsContact CD1-O 3.28Å; L52-W54 WeakPolarHBondContact CD1-O 3.09Å; L52-I55 VanDerWaalsContact CD2-O 3.28Å; L52-I55 WeakPolarHBondContact CD2-O 3.36Å; L52-D56 HydrophobicContact CD2-CB 4.35Å; L52-D56 HydrophobicContact CG-CB 4.5Å; L52-Y59 WeakPolarHBondContact O-CE2 3.35Å
53V93.9Very high90.6Very high1 Ų160.2 Ų60.21%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-108.8-24.9175.4700000111.8A39 F51 Y59 L66 F70A39-V53 HydrophobicContact CB-CG1 4.12Å; A39-V53 WeakPolarHBondContact O-CG1 3.47Å; A39-V53 PolarHBondContact O-N 2.87Å; F51-V53 HydrophobicContact CE2-CB 4.26Å; F51-V53 HydrophobicContact CE2-CG2 4.46Å; F51-V53 PolarHBondContact O-N 2.95Å; V53-Y59 HydrophobicContact CB-CE2 4.33Å; V53-Y59 HydrophobicContact CG2-CD2 4.19Å; V53-Y59 HydrophobicContact CG2-CE2 4.03Å; V53-Y59 WeakPolarHBondContact O-CD2 3.41Å; V53-L66 HydrophobicContact CG2-CD1 3.99Å; V53-F70 HydrophobicContact CG1-CD2 3.67Å; V53-F70 HydrophobicContact CG1-CE2 4.39Å; V53-F70 HydrophobicContact CG2-CB 3.91Å; V53-F70 HydrophobicContact CG2-CD2 4.42Å
54W92.8Very high90.4Very high20 Ų2060.2 Ų60.28%0.07633%0.333CS..EExtended strand (participates in β ladder)trans-140.6126.9174.2-175.5-91.5000111.9G35 Q38 A39 L52 F60 F70 F140 F224G35-W54 VanDerWaalsContact CA-NE1 3.34Å; G35-W54 PolarHBondContact O-NE1 3.42Å; Q38-W54 CarbonylContact C-O 3.25Å; Q38-W54 VanDerWaalsContact CA-O 3.26Å; Q38-W54 WeakPolarHBondContact CA-O 3.27Å; A39-W54 HydrophobicContact CB-CB 3.81Å; A39-W54 PolarHBondContact N-O 3.32Å; A39-W54 PolarHBondContact O-N 3.18Å; L52-W54 VanDerWaalsContact CD1-O 3.28Å; L52-W54 WeakPolarHBondContact CD1-O 3.09Å; W54-F60 HydrophobicContact CH2-CZ 4.42Å; W54-F60 HydrophobicContact CZ3-CZ 4.22Å; W54-F70 HydrophobicContact CB-CE2 4.13Å; W54-F70 HydrophobicContact CB-CZ 4.48Å; W54-F140 HydrophobicContact CB-CZ 4.36Å; W54-F140 AromaticContact CD1-CE1 3.9Å; W54-F140 AromaticContact CD1-CZ 3.39Å; W54-F140 HydrophobicContact CD2-CZ 4.26Å; W54-F140 AromaticContact CG-CZ 3.75Å; W54-F140 HydrophobicContact CG-CZ 3.75Å; W54-F140 AromaticContact NE1-CZ 3.67Å; W54-F224 AromaticContact CH2-CD1 3.93Å; W54-F224 HydrophobicContact CH2-CD1 3.93Å; W54-F224 HydrophobicContact CH2-CD2 4.38Å; W54-F224 AromaticContact CH2-CE1 3.81Å; W54-F224 HydrophobicContact CH2-CE1 3.81Å; W54-F224 HydrophobicContact CH2-CE2 4.27Å; W54-F224 HydrophobicContact CH2-CG 4.21Å; W54-F224 AromaticContact CH2-CZ 3.97Å; W54-F224 HydrophobicContact CH2-CZ 3.97Å; W54-F224 HydrophobicContact CZ3-CE1 4.48Å; W54-F224 HydrophobicContact CZ3-CE2 4.28Å; W54-F224 HydrophobicContact CZ3-CZ 4.19Å
55I85.6Confident90.4Very high24 Ų2460.5 Ų60.512%0.12333%0.334CS..THydrogen-bonded Turncis-91.9128.1-11.2-159.1176.8000110L52 F60 L103 D104 T111L52-I55 VanDerWaalsContact CD2-O 3.28Å; L52-I55 WeakPolarHBondContact CD2-O 3.36Å; I55-F60 HydrophobicContact CD1-CE2 3.85Å; I55-F60 HydrophobicContact CD1-CZ 3.72Å; I55-F60 HydrophobicContact CG1-CE2 3.55Å; I55-F60 HydrophobicContact CG1-CZ 3.91Å; I55-L103 HydrophobicContact CB-CB 4.35Å; I55-L103 HydrophobicContact CG2-CB 3.67Å; I55-L103 WeakPolarHBondContact CG2-O 3.43Å; I55-L103 PolarHBondContact N-O 3.06Å; I55-D104 HydrophobicContact CG2-CB 4.09Å; I55-T111 HydrophobicContact CG2-CG2 3.59Å
56D84.8Confident90.5Very high18 Ų1852 Ų5210%0.09629%0.289CS..  trans-136.2118.8172.7178-26.7000108.9L52 R58 Y59L52-D56 HydrophobicContact CD2-CB 4.35Å; L52-D56 HydrophobicContact CG-CB 4.5Å; D56-R58 PolarHBondContact O-N 2.86Å; D56-R58 VanDerWaalsContact O-N 3.08Å; D56-R58 WeakPolarHBondContact OD1-CB 3.3Å; D56-R58 WeakPolarHBondContact OD1-CG 3.3Å; D56-R58 PolarHBondContact OD1-N 3Å; D56-R58 IonicContact OD1-NE 2.82Å; D56-R58 PolarHBondContact OD1-NE 3.46Å; D56-R58 VanDerWaalsContact OD1-NE 3.11Å; D56-R58 IonicContact OD2-CZ 3.34Å; D56-R58 IonicContact OD2-NE 3.65Å; D56-R58 PolarHBondContact OD2-NE 2.77Å; D56-R58 IonicContact OD2-NH2 3.7Å; D56-R58 PolarHBondContact OD2-NH2 2.68Å; D56-Y59 HydrophobicContact CB-CD2 3.8Å; D56-Y59 HydrophobicContact CB-CE2 4.03Å; D56-Y59 PolarHBondContact O-N 2.93Å
57L81.5Confident90.6Very high79 Ų7952.8 Ų52.841%0.41429%0.29SS..THydrogen-bonded Turntrans-58.9-22.6-174.9-65.7177.9000113.3Y59 F60L57-Y59 PolarHBondContact O-N 3.08Å; L57-F60 HydrophobicContact CD2-CD2 4.4Å; L57-F60 WeakPolarHBondContact O-CB 3.26Å; L57-F60 PolarHBondContact O-N 3.47Å; L57-F60 VanDerWaalsContact O-N 3.08Å
58R86.2Confident90.8Very high141 Ų14150.3 Ų50.353%0.53227%0.267SS..Hα-helixtrans-58.4-38.5174.8-62.9178.6-65.8168.31.9111.3D56 F60 L61 E62D56-R58 PolarHBondContact O-N 2.86Å; D56-R58 VanDerWaalsContact O-N 3.08Å; D56-R58 WeakPolarHBondContact OD1-CB 3.3Å; D56-R58 WeakPolarHBondContact OD1-CG 3.3Å; D56-R58 PolarHBondContact OD1-N 3Å; D56-R58 IonicContact OD1-NE 2.82Å; D56-R58 PolarHBondContact OD1-NE 3.46Å; D56-R58 VanDerWaalsContact OD1-NE 3.11Å; D56-R58 IonicContact OD2-CZ 3.34Å; D56-R58 IonicContact OD2-NE 3.65Å; D56-R58 PolarHBondContact OD2-NE 2.77Å; D56-R58 IonicContact OD2-NH2 3.7Å; D56-R58 PolarHBondContact OD2-NH2 2.68Å; R58-F60 PolarHBondContact O-N 3.14Å; R58-L61 WeakPolarHBondContact O-CB 3.42Å; R58-L61 PolarHBondContact O-N 3.38Å; R58-L61 VanDerWaalsContact O-N 3.09Å; R58-E62 PolarHBondContact O-N 2.88Å; R58-E62 VanDerWaalsContact O-N 3.13Å
59Y87.2Confident90.9Very high18 Ų1849.5 Ų49.57%0.07126%0.256CS..Hα-helixtrans-74.9-12.4179.9-65-58.4000113.9F51 L52 V53 D56 L57 L61 E62 K65 L66 Y69F51-Y59 WeakPolarHBondContact CD2-OH 3.2Å; F51-Y59 AromaticContact CE2-CZ 3.96Å; F51-Y59 WeakPolarHBondContact CE2-OH 3.47Å; L52-Y59 WeakPolarHBondContact O-CE2 3.35Å; V53-Y59 HydrophobicContact CB-CE2 4.33Å; V53-Y59 HydrophobicContact CG2-CD2 4.19Å; V53-Y59 HydrophobicContact CG2-CE2 4.03Å; V53-Y59 WeakPolarHBondContact O-CD2 3.41Å; D56-Y59 HydrophobicContact CB-CD2 3.8Å; D56-Y59 HydrophobicContact CB-CE2 4.03Å; D56-Y59 PolarHBondContact O-N 2.93Å; L57-Y59 PolarHBondContact O-N 3.08Å; Y59-L61 VanDerWaalsContact C-N 3.33Å; Y59-E62 CarbonylContact O-C 3.57Å; Y59-K65 HydrophobicContact CD1-CB 4.17Å; Y59-K65 HydrophobicContact CE1-CB 4.19Å; Y59-L66 HydrophobicContact CD1-CB 4.48Å; Y59-L66 HydrophobicContact CG-CB 4.47Å; Y59-L66 HydrophobicContact CG-CD1 4.17Å; Y59-Y69 AromaticContact CE1-CD2 3.79Å; Y59-Y69 HydrophobicContact CE1-CD2 3.79Å; Y59-Y69 HydrophobicContact CE1-CE2 4.12Å
60F84.6Confident91Very high2 Ų244.9 Ų44.91%0.00923%0.225CC..Hα-helixtrans-77-23.2169.3-71.8-106.4000112.3W54 I55 L57 R58 F224 V226 L228 R229 F234W54-F60 HydrophobicContact CH2-CZ 4.42Å; W54-F60 HydrophobicContact CZ3-CZ 4.22Å; I55-F60 HydrophobicContact CD1-CE2 3.85Å; I55-F60 HydrophobicContact CD1-CZ 3.72Å; I55-F60 HydrophobicContact CG1-CE2 3.55Å; I55-F60 HydrophobicContact CG1-CZ 3.91Å; L57-F60 HydrophobicContact CD2-CD2 4.4Å; L57-F60 WeakPolarHBondContact O-CB 3.26Å; L57-F60 PolarHBondContact O-N 3.47Å; L57-F60 VanDerWaalsContact O-N 3.08Å; R58-F60 PolarHBondContact O-N 3.14Å; F60-F224 HydrophobicContact CE1-CB 4.03Å; F60-F224 AromaticContact CE1-CD2 3.8Å; F60-F224 HydrophobicContact CE1-CD2 3.8Å; F60-F224 HydrophobicContact CE1-CG 4.29Å; F60-F224 HydrophobicContact CZ-CB 4.5Å; F60-F224 HydrophobicContact CZ-CD2 4.21Å; F60-V226 HydrophobicContact CB-CG1 4.32Å; F60-V226 HydrophobicContact CD1-CB 3.62Å; F60-V226 HydrophobicContact CD1-CG1 3.74Å; F60-V226 HydrophobicContact CD1-CG2 3.96Å; F60-V226 HydrophobicContact CE1-CB 3.89Å; F60-V226 HydrophobicContact CE1-CG1 4.43Å; F60-V226 HydrophobicContact CE1-CG2 3.8Å; F60-V226 HydrophobicContact CG-CG1 4.28Å; F60-L228 HydrophobicContact CB-CD1 4.13Å; F60-R229 WeakPolarHBondContact O-CG 3.44Å; F60-F234 HydrophobicContact CB-CZ 4.27Å; F60-F234 HydrophobicContact CD1-CE1 4.3Å; F60-F234 HydrophobicContact CD1-CZ 4.01Å; F60-F234 HydrophobicContact CG-CZ 4.4Å
61L89.1Confident91.1Very high105 Ų10542.6 Ų42.655%0.5521%0.21SC..Hα-helixtrans-85.8-29.5170.7-63.8172.7000111.6R58 Y59 P63 L228R58-L61 WeakPolarHBondContact O-CB 3.42Å; R58-L61 PolarHBondContact O-N 3.38Å; R58-L61 VanDerWaalsContact O-N 3.09Å; Y59-L61 VanDerWaalsContact C-N 3.33Å; L61-P63 VanDerWaalsContact O-CD 3.26Å; L61-P63 WeakPolarHBondContact O-CD 3.47Å; L61-L228 HydrophobicContact CD2-CB 4.16Å; L61-L228 HydrophobicContact CD2-CD1 3.93Å; L61-L228 HydrophobicContact CD2-CD2 4.43Å; L61-L228 HydrophobicContact CD2-CG 4.41Å; L61-L228 HydrophobicContact CG-CD1 4.31Å
62E91.5Very high91.2Very high83 Ų8340.8 Ų40.839%0.38820%0.203SC..  trans-119.862.9-176.5-57.6-168.4103.200112.8R58 Y59 G64 K65 L66R58-E62 PolarHBondContact O-N 2.88Å; R58-E62 VanDerWaalsContact O-N 3.13Å; Y59-E62 CarbonylContact O-C 3.57Å; E62-G64 PolarHBondContact O-N 3.39Å; E62-G64 VanDerWaalsContact O-N 3.09Å; E62-K65 HydrophobicContact CB-CB 4.16Å; E62-K65 HydrophobicContact CB-CD 4.17Å; E62-K65 HydrophobicContact CB-CG 4.24Å; E62-K65 WeakPolarHBondContact O-CB 3.15Å; E62-K65 PolarHBondContact O-N 3.09Å; E62-K65 WeakPolarHBondContact OE1-CE 3.38Å; E62-K65 IonicContact OE1-NZ 3.79Å; E62-K65 PolarHBondContact OE1-NZ 3.29Å; E62-K65 WeakPolarHBondContact OE2-CD 3.23Å; E62-K65 IonicContact OE2-NZ 3.2Å; E62-K65 PolarHBondContact OE2-NZ 2.93Å; E62-L66 PolarHBondContact O-N 2.89Å; E62-L66 VanDerWaalsContact O-N 3.14Å
63P90.4Very high91.4Very high11 Ų1142.9 Ų42.97%0.07122%0.216CC..Hα-helixtrans-61.6-24.6-175.824.7-34.9000113.4L61 L66 N67 S233 F234L61-P63 VanDerWaalsContact O-CD 3.26Å; L61-P63 WeakPolarHBondContact O-CD 3.47Å; P63-L66 WeakPolarHBondContact O-CB 3.05Å; P63-L66 PolarHBondContact O-N 2.75Å; P63-N67 PolarHBondContact O-N 2.77Å; P63-S233 WeakPolarHBondContact CB-O 3.2Å; P63-F234 HydrophobicContact CB-CD1 3.92Å; P63-F234 HydrophobicContact CB-CE1 3.89Å; P63-F234 HydrophobicContact CB-CG 4.47Å; P63-F234 HydrophobicContact CB-CZ 4.42Å
64G92.4Very high91.5Very high47 Ų4743.7 Ų43.749%0.48522%0.219SC..Hα-helixtrans-63.6-40.4171.800000112.9E62 N67 Q68E62-G64 PolarHBondContact O-N 3.39Å; E62-G64 VanDerWaalsContact O-N 3.09Å; G64-N67 PolarHBondContact O-N 3.23Å; G64-Q68 WeakPolarHBondContact O-CG 3.29Å; G64-Q68 PolarHBondContact O-N 3.16Å; G64-Q68 VanDerWaalsContact O-N 3.13Å
65K93.3Very high91.7Very high78 Ų7845.2 Ų45.234%0.33923%0.229SC..Hα-helixtrans-70.5-38.2174.1-71.3-173.1-173.8162.90111.3Y59 E62 N67 Q68 Y69Y59-K65 HydrophobicContact CD1-CB 4.17Å; Y59-K65 HydrophobicContact CE1-CB 4.19Å; E62-K65 HydrophobicContact CB-CB 4.16Å; E62-K65 HydrophobicContact CB-CD 4.17Å; E62-K65 HydrophobicContact CB-CG 4.24Å; E62-K65 WeakPolarHBondContact O-CB 3.15Å; E62-K65 PolarHBondContact O-N 3.09Å; E62-K65 WeakPolarHBondContact OE1-CE 3.38Å; E62-K65 IonicContact OE1-NZ 3.79Å; E62-K65 PolarHBondContact OE1-NZ 3.29Å; E62-K65 WeakPolarHBondContact OE2-CD 3.23Å; E62-K65 IonicContact OE2-NZ 3.2Å; E62-K65 PolarHBondContact OE2-NZ 2.93Å; K65-N67 VanDerWaalsContact C-N 3.3Å; K65-N67 PolarHBondContact O-N 3.33Å; K65-Q68 PolarHBondContact O-N 2.72Å; K65-Q68 VanDerWaalsContact O-N 3.16Å; K65-Y69 HydrophobicContact CB-CD2 4.19Å; K65-Y69 HydrophobicContact CB-CE2 3.82Å; K65-Y69 HydrophobicContact CD-CE2 4.24Å; K65-Y69 HydrophobicContact CG-CE2 4.24Å; K65-Y69 VanDerWaalsContact O-CD2 3.28Å; K65-Y69 WeakPolarHBondContact O-CD2 3.13Å; K65-Y69 PolarHBondContact O-N 2.95Å
66L94.1Very high92.1Very high3 Ų347.3 Ų47.32%0.01624%0.244CC..Hα-helixtrans-55.6-49.1172.6-171.755.6000110.5V53 Y59 E62 P63 Q68 Y69 F70 F234 V237V53-L66 HydrophobicContact CG2-CD1 3.99Å; Y59-L66 HydrophobicContact CD1-CB 4.48Å; Y59-L66 HydrophobicContact CG-CB 4.47Å; Y59-L66 HydrophobicContact CG-CD1 4.17Å; E62-L66 PolarHBondContact O-N 2.89Å; E62-L66 VanDerWaalsContact O-N 3.14Å; P63-L66 WeakPolarHBondContact O-CB 3.05Å; P63-L66 PolarHBondContact O-N 2.75Å; L66-Q68 VanDerWaalsContact C-N 3.3Å; L66-Q68 PolarHBondContact O-N 3.29Å; L66-Y69 PolarHBondContact O-N 3.41Å; L66-F70 HydrophobicContact CD1-CB 3.71Å; L66-F70 HydrophobicContact CD1-CD1 4.31Å; L66-F70 HydrophobicContact CD1-CG 4.11Å; L66-F70 HydrophobicContact CG-CB 4.35Å; L66-F70 WeakPolarHBondContact O-CA 3.37Å; L66-F70 WeakPolarHBondContact O-CB 3.38Å; L66-F70 PolarHBondContact O-N 3.19Å; L66-F234 HydrophobicContact CD2-CD1 4.32Å; L66-F234 HydrophobicContact CD2-CE1 4.42Å; L66-V237 HydrophobicContact CD2-CG1 4.26Å; L66-V237 HydrophobicContact CG-CG1 4.44Å; L66-V237 HydrophobicContact CG-CG2 4.47Å
67N94Very high92.6Very high55 Ų5552.4 Ų52.429%0.29428%0.276SS..Hα-helixtrans-57.3-42.4176.9-172.757.1000112.8P63 G64 K65 G71 V237P63-N67 PolarHBondContact O-N 2.77Å; G64-N67 PolarHBondContact O-N 3.23Å; K65-N67 VanDerWaalsContact C-N 3.3Å; K65-N67 PolarHBondContact O-N 3.33Å; N67-G71 PolarHBondContact O-N 3.3Å; N67-G71 VanDerWaalsContact O-N 3.17Å; N67-V237 HydrophobicContact CB-CB 3.92Å; N67-V237 WeakPolarHBondContact OD1-CA 3.3Å; N67-V237 PolarHBondContact OD1-N 3.04Å
68Q94.7Very high93.2Very high100 Ų10052.5 Ų52.547%0.46728%0.28SS..Hα-helixtrans-69.1-34.8-179.5-74.9177.8-500114G64 K65 L66 P84 I86G64-Q68 WeakPolarHBondContact O-CG 3.29Å; G64-Q68 PolarHBondContact O-N 3.16Å; G64-Q68 VanDerWaalsContact O-N 3.13Å; K65-Q68 PolarHBondContact O-N 2.72Å; K65-Q68 VanDerWaalsContact O-N 3.16Å; L66-Q68 VanDerWaalsContact C-N 3.3Å; L66-Q68 PolarHBondContact O-N 3.29Å; Q68-P84 WeakPolarHBondContact O-CB 3.32Å; Q68-P84 VanDerWaalsContact O-CG 3.25Å; Q68-P84 WeakPolarHBondContact O-CG 2.99Å; Q68-I86 HydrophobicContact CB-CD1 3.88Å; Q68-I86 WeakPolarHBondContact O-CG1 3.47Å
69Y95.5Very high93.7Very high43 Ų4349.7 Ų49.717%0.16927%0.269CS..Hα-helixtrans-99.3-21.9-174.5-55.9-31.4000114L43 F51 Y59 K65 L66 I86 V89L43-Y69 HydrophobicContact CD2-CD1 3.72Å; L43-Y69 HydrophobicContact CD2-CE1 3.61Å; F51-Y69 HydrophobicContact CE2-CD2 4.04Å; F51-Y69 HydrophobicContact CE2-CG 4.41Å; F51-Y69 AromaticContact CZ-CD2 3.95Å; F51-Y69 HydrophobicContact CZ-CD2 3.95Å; F51-Y69 HydrophobicContact CZ-CE2 4.43Å; F51-Y69 HydrophobicContact CZ-CG 4.05Å; Y59-Y69 AromaticContact CE1-CD2 3.79Å; Y59-Y69 HydrophobicContact CE1-CD2 3.79Å; Y59-Y69 HydrophobicContact CE1-CE2 4.12Å; K65-Y69 HydrophobicContact CB-CD2 4.19Å; K65-Y69 HydrophobicContact CB-CE2 3.82Å; K65-Y69 HydrophobicContact CD-CE2 4.24Å; K65-Y69 HydrophobicContact CG-CE2 4.24Å; K65-Y69 VanDerWaalsContact O-CD2 3.28Å; K65-Y69 WeakPolarHBondContact O-CD2 3.13Å; K65-Y69 PolarHBondContact O-N 2.95Å; L66-Y69 PolarHBondContact O-N 3.41Å; Y69-I86 HydrophobicContact CD1-CD1 3.82Å; Y69-I86 HydrophobicContact CD1-CG1 4.49Å; Y69-I86 HydrophobicContact CE1-CD1 3.71Å; Y69-V89 WeakPolarHBondContact O-CG2 3.33Å
70F96.2Very high94.1Very high7 Ų753.9 Ų53.93%0.03129%0.287CS..Hα-helixtrans-120.3-32.2-171.5-173.5-106.9000113.9A39 V53 W54 L66 V89 F91 F140 R141 V237 L241A39-F70 HydrophobicContact CB-CD2 4.44Å; A39-F70 HydrophobicContact CB-CE2 3.77Å; V53-F70 HydrophobicContact CG1-CD2 3.67Å; V53-F70 HydrophobicContact CG1-CE2 4.39Å; V53-F70 HydrophobicContact CG2-CB 3.91Å; V53-F70 HydrophobicContact CG2-CD2 4.42Å; W54-F70 HydrophobicContact CB-CE2 4.13Å; W54-F70 HydrophobicContact CB-CZ 4.48Å; L66-F70 HydrophobicContact CD1-CB 3.71Å; L66-F70 HydrophobicContact CD1-CD1 4.31Å; L66-F70 HydrophobicContact CD1-CG 4.11Å; L66-F70 HydrophobicContact CG-CB 4.35Å; L66-F70 WeakPolarHBondContact O-CA 3.37Å; L66-F70 WeakPolarHBondContact O-CB 3.38Å; L66-F70 PolarHBondContact O-N 3.19Å; F70-V89 HydrophobicContact CD2-CG1 4.14Å; F70-V89 HydrophobicContact CE2-CG1 4.32Å; F70-F91 HydrophobicContact CE2-CE1 4.49Å; F70-F91 HydrophobicContact CE2-CZ 4.36Å; F70-F140 HydrophobicContact CE1-CE2 4.31Å; F70-F140 HydrophobicContact CE2-CE2 4.48Å; F70-F140 HydrophobicContact CE2-CZ 4.2Å; F70-F140 AromaticContact CZ-CE2 3.54Å; F70-F140 HydrophobicContact CZ-CE2 3.54Å; F70-F140 AromaticContact CZ-CZ 3.65Å; F70-F140 HydrophobicContact CZ-CZ 3.65Å; F70-R141 HydrophobicContact CE1-CG 3.7Å; F70-R141 HydrophobicContact CE2-CG 4.04Å; F70-R141 HydrophobicContact CZ-CG 3.41Å; F70-R141 VanDerWaalsContact CZ-CG 3.41Å; F70-R141 WeakPolarHBondContact O-CD 3.49Å; F70-R141 PolarHBondContact O-NH1 3.47Å; F70-V237 HydrophobicContact CD1-CG2 4.11Å; F70-L241 HydrophobicContact CE1-CD2 4.44Å
71G96.1Very high94.7Very high2 Ų254.1 Ų54.12%0.02129%0.29CS..  trans-60.3159.4-177.900000112.8N67 P84 T240N67-G71 PolarHBondContact O-N 3.3Å; N67-G71 VanDerWaalsContact O-N 3.17Å; G71-P84 VanDerWaalsContact O-CD 3.26Å; G71-P84 WeakPolarHBondContact O-CD 3.42Å; G71-T240 WeakPolarHBondContact CA-OG1 3.26Å
72L97.8Very high95Very high7 Ų754.4 Ų54.44%0.03728%0.283CS..  trans-101.9159.8175.3-70.3168000111.1R82 R141 K142 T240 P242L72-R82 WeakPolarHBondContact CA-O 3.48Å; L72-R82 WeakPolarHBondContact CD2-O 3.2Å; L72-R141 HydrophobicContact CD1-CB 3.62Å; L72-R141 HydrophobicContact CG-CB 4.26Å; L72-K142 HydrophobicContact CD1-CG 3.91Å; L72-T240 WeakPolarHBondContact CB-O 3.46Å; L72-T240 PolarHBondContact N-OG1 2.98Å; L72-T240 WeakPolarHBondContact O-CB 3.19Å; L72-T240 VanDerWaalsContact O-CG2 3.27Å; L72-T240 WeakPolarHBondContact O-CG2 3.1Å; L72-P242 HydrophobicContact CD1-CG 4.49Å
73V97.2Very high95.3Very high57 Ų5752.1 Ų52.135%0.34527%0.274SS..EExtended strand (participates in β ladder)trans-114114.1168.3-178.30000107.6S81 R82V73-S81 WeakPolarHBondContact O-CA 3.37Å; V73-R82 HydrophobicContact CB-CG 4.08Å; V73-R82 PolarHBondContact N-O 3.12Å; V73-R82 WeakPolarHBondContact O-CG 3.27Å; V73-R82 PolarHBondContact O-N 3.14Å
74Y97.1Very high95.5Very high17 Ų1752.2 Ų52.27%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-89.6128.5176179.9-86.9000110.7R79 S81 I284 Q287 M288 D291Y74-R79 PolarHBondContact OH-NE 3.42Å; Y74-S81 WeakPolarHBondContact CD2-OG 3.45Å; Y74-I284 HydrophobicContact CD1-CG2 3.52Å; Y74-I284 HydrophobicContact CE1-CG2 4.16Å; Y74-I284 HydrophobicContact CG-CG2 4.02Å; Y74-Q287 HydrophobicContact CE1-CB 4.13Å; Y74-M288 HydrophobicContact CD2-CE 3.94Å; Y74-M288 HydrophobicContact CD2-CG 3.62Å; Y74-M288 HydrophobicContact CE2-CG 3.79Å; Y74-M288 HydrophobicContact CG-CE 3.7Å; Y74-M288 HydrophobicContact CG-CG 4.02Å; Y74-D291 PolarHBondContact OH-OD2 3.35Å
75D96.2Very high95.5Very high52 Ų5255.2 Ų55.228%0.27828%0.279SS..EExtended strand (participates in β ladder)trans-95.8113.3176.9175.10.1000109.9V77 T78 R79 K80D75-V77 PolarHBondContact O-N 3.19Å; D75-V77 WeakPolarHBondContact OD1-CB 3.28Å; D75-V77 PolarHBondContact OD1-N 3.34Å; D75-T78 VanDerWaalsContact CB-OG1 3.28Å; D75-T78 WeakPolarHBondContact CB-OG1 3.14Å; D75-T78 PolarHBondContact OD1-N 3.19Å; D75-T78 WeakPolarHBondContact OD2-CB 2.87Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.39Å; D75-T78 PolarHBondContact OD2-OG1 2.96Å; D75-R79 WeakPolarHBondContact O-CA 3.31Å; D75-R79 PolarHBondContact O-N 2.93Å; D75-K80 PolarHBondContact N-O 2.94Å
76P93.9Very high95.6Very high68 Ų6855.3 Ų55.344%0.44228%0.282SS..THydrogen-bonded Turntrans-68.1-16.6-178.229.8-35.8000113.6R79P76-R79 WeakPolarHBondContact O-CD 3.3Å
77V95.1Very high95.7Very high126 Ų12655.1 Ų55.176%0.76428%0.282SS*.THydrogen-bonded Turntrans-83.3-52.3177.6-178.70000110.3D75 R79D75-V77 PolarHBondContact O-N 3.19Å; D75-V77 WeakPolarHBondContact OD1-CB 3.28Å; D75-V77 PolarHBondContact OD1-N 3.34Å; V77-R79 VanDerWaalsContact C-N 3.32Å
78T95.5Very high95.8Very high81 Ų8157.4 Ų57.450%0.49729%0.291SS..THydrogen-bonded Turntrans-81.9-11.7-178.860.20000113.5D75 K80D75-T78 VanDerWaalsContact CB-OG1 3.28Å; D75-T78 WeakPolarHBondContact CB-OG1 3.14Å; D75-T78 PolarHBondContact OD1-N 3.19Å; D75-T78 WeakPolarHBondContact OD2-CB 2.87Å; D75-T78 WeakPolarHBondContact OD2-CG2 3.39Å; D75-T78 PolarHBondContact OD2-OG1 2.96Å; T78-K80 PolarHBondContact O-N 3.29Å
79R95Very high95.9Very high81 Ų8153.3 Ų53.331%0.30627%0.272SS..THydrogen-bonded Turntrans60.132.7-178-51.3-65.2-66.8-174-0.1112.5Y74 D75 P76 V77 Q287 D291Y74-R79 PolarHBondContact OH-NE 3.42Å; D75-R79 WeakPolarHBondContact O-CA 3.31Å; D75-R79 PolarHBondContact O-N 2.93Å; P76-R79 WeakPolarHBondContact O-CD 3.3Å; V77-R79 VanDerWaalsContact C-N 3.32Å; R79-Q287 VanDerWaalsContact NH1-CB 3.3Å; R79-Q287 VanDerWaalsContact NH1-CG 3.26Å; R79-Q287 PolarHBondContact NH2-O 3.21Å; R79-Q287 VanDerWaalsContact NH2-O 3.11Å; R79-D291 IonicContact CZ-OD1 3.2Å; R79-D291 VanDerWaalsContact CZ-OD1 3.31Å; R79-D291 IonicContact CZ-OD2 2.85Å; R79-D291 IonicContact NE-OD1 2.87Å; R79-D291 PolarHBondContact NE-OD1 2.93Å; R79-D291 VanDerWaalsContact NE-OD1 3.08Å; R79-D291 IonicContact NE-OD2 3.77Å; R79-D291 PolarHBondContact NE-OD2 2.8Å; R79-D291 IonicContact NH2-OD1 2.78Å; R79-D291 PolarHBondContact NH2-OD1 3.39Å; R79-D291 IonicContact NH2-OD2 2.76Å; R79-D291 PolarHBondContact NH2-OD2 2.93Å; R79-D291 VanDerWaalsContact NH2-OD2 3.14Å
80K95.7Very high95.9Very high106 Ų10655.3 Ų55.346%0.46128%0.28SS..EExtended strand (participates in β ladder)trans-135.6153.8-176.6-69.4-171.8-177.8-169.50111.8D75 T78 E148D75-K80 PolarHBondContact N-O 2.94Å; T78-K80 PolarHBondContact O-N 3.29Å; K80-E148 IonicContact NZ-OE1 3.11Å; K80-E148 PolarHBondContact NZ-OE1 3.15Å
81S97.4Very high96Very high8 Ų856.5 Ų56.56%0.05629%0.285CS..EExtended strand (participates in β ladder)trans-105.8136.2179.2-47.70000111V73 Y74 K142 E146 P242V73-S81 WeakPolarHBondContact O-CA 3.37Å; Y74-S81 WeakPolarHBondContact CD2-OG 3.45Å; S81-K142 PolarHBondContact O-NZ 3.19Å; S81-E146 WeakPolarHBondContact CA-OE1 3.31Å; S81-E146 WeakPolarHBondContact CB-OE1 3.5Å; S81-E146 PolarHBondContact N-OE1 2.89Å; S81-E146 PolarHBondContact OG-OE1 3.01Å; S81-E146 PolarHBondContact OG-OE2 3.35Å; S81-P242 WeakPolarHBondContact OG-CG 3.45Å
82R96.7Very high96Very high111 Ų11157.7 Ų57.742%0.41929%0.293SS..EExtended strand (participates in β ladder)trans-123.1160.9176.160.7178.6-172.382.3-13.3111L72 V73 D85L72-R82 WeakPolarHBondContact CA-O 3.48Å; L72-R82 WeakPolarHBondContact CD2-O 3.2Å; V73-R82 HydrophobicContact CB-CG 4.08Å; V73-R82 PolarHBondContact N-O 3.12Å; V73-R82 WeakPolarHBondContact O-CG 3.27Å; V73-R82 PolarHBondContact O-N 3.14Å; R82-D85 IonicContact CZ-OD1 2.65Å; R82-D85 IonicContact NH1-OD1 2.71Å; R82-D85 PolarHBondContact NH1-OD1 2.88Å; R82-D85 IonicContact NH2-OD1 3.1Å; R82-D85 PolarHBondContact NH2-OD1 3.14Å; R82-D85 IonicContact NH2-OD2 2.72Å
83D97Very high95.9Very high35 Ų3557.8 Ų57.819%0.18730%0.295CS..  trans-59.6158.6170.1-84.5-15.4000112.1V89 R141D83-V89 PolarHBondContact OD2-N 3.42Å; D83-R141 IonicContact OD1-CZ 3.38Å; D83-R141 VanDerWaalsContact OD1-CZ 3.25Å; D83-R141 IonicContact OD1-NH1 2.74Å; D83-R141 PolarHBondContact OD1-NH1 2.85Å; D83-R141 IonicContact OD1-NH2 3.75Å; D83-R141 PolarHBondContact OD1-NH2 2.92Å
84P93.9Very high95.9Very high12 Ų1259.2 Ų59.28%0.07829%0.294CS..  trans-65.5158.6-179.927.5-29.7000110.7K44 Q68 G71 I86 A87K44-P84 PolarHBondContact NZ-O 2.96Å; Q68-P84 WeakPolarHBondContact O-CB 3.32Å; Q68-P84 VanDerWaalsContact O-CG 3.25Å; Q68-P84 WeakPolarHBondContact O-CG 2.99Å; G71-P84 VanDerWaalsContact O-CD 3.26Å; G71-P84 WeakPolarHBondContact O-CD 3.42Å; P84-I86 PolarHBondContact O-N 3.19Å; P84-I86 VanDerWaalsContact O-N 3.12Å; P84-A87 HydrophobicContact CG-CB 4.19Å; P84-A87 PolarHBondContact O-N 2.84Å
85D93.6Very high96Very high111 Ų11158.5 Ų58.559%0.59429%0.292SS*.THydrogen-bonded Turntrans-64.4-21.9-174.8-67.8-29.7000113.4K44 R82K44-D85 WeakPolarHBondContact CD-O 3.35Å; R82-D85 IonicContact CZ-OD1 2.65Å; R82-D85 IonicContact NH1-OD1 2.71Å; R82-D85 PolarHBondContact NH1-OD1 2.88Å; R82-D85 IonicContact NH2-OD1 3.1Å; R82-D85 PolarHBondContact NH2-OD1 3.14Å; R82-D85 IonicContact NH2-OD2 2.72Å
86I94.9Very high96.1Very high79 Ų7960 Ų6041%0.40530%0.298SS..THydrogen-bonded Turntrans-100.2-11.5-174.269167.9000114.2L43 K44 Q68 Y69 P84L43-I86 CarbonylContact C-O 3.58Å; L43-I86 WeakPolarHBondContact CA-O 3.35Å; K44-I86 PolarHBondContact N-O 3.06Å; Q68-I86 HydrophobicContact CB-CD1 3.88Å; Q68-I86 WeakPolarHBondContact O-CG1 3.47Å; Y69-I86 HydrophobicContact CD1-CD1 3.82Å; Y69-I86 HydrophobicContact CD1-CG1 4.49Å; Y69-I86 HydrophobicContact CE1-CD1 3.71Å; P84-I86 PolarHBondContact O-N 3.19Å; P84-I86 VanDerWaalsContact O-N 3.12Å
87A95.6Very high96.3Very high0 Ų056.9 Ų56.90%028%0.277CS..EExtended strand (participates in β ladder)trans-145.6157.7-174.600000112.5S41 K42 L43 K44 P84S41-A87 WeakPolarHBondContact OG-CB 3.46Å; K42-A87 CarbonylContact O-C 3.58Å; K42-A87 VanDerWaalsContact O-CA 3.23Å; K42-A87 WeakPolarHBondContact O-CA 3.4Å; L43-A87 HydrophobicContact CD2-CB 4.28Å; K44-A87 VanDerWaalsContact CE-O 3.3Å; K44-A87 WeakPolarHBondContact CE-O 3.35Å; K44-A87 PolarHBondContact NZ-O 2.82Å; P84-A87 HydrophobicContact CG-CB 4.19Å; P84-A87 PolarHBondContact O-N 2.84Å
88E96.3Very high96.3Very high103 Ų10355.2 Ų55.248%0.48126%0.257SS..EExtended strand (participates in β ladder)trans-113.9135.5166.9-61.5179.2156.500107.9S41 K42 K44S41-E88 CarbonylContact C-O 3.55Å; S41-E88 WeakPolarHBondContact CA-O 3.29Å; K42-E88 PolarHBondContact N-O 3.49Å; K42-E88 PolarHBondContact O-N 2.86Å; K44-E88 HydrophobicContact CD-CG 4.33Å; K44-E88 HydrophobicContact CG-CG 4.03Å
89V97Very high96.3Very high14 Ų1451.3 Ų51.39%0.08523%0.234CC..EExtended strand (participates in β ladder)trans-112.9132.8-178.2-173.70000109.3A39 Y40 Y69 F70 D83 F91A39-V89 HydrophobicContact CB-CG1 4.31Å; Y40-V89 CarbonylContact O-C 3.53Å; Y40-V89 VanDerWaalsContact O-CA 3.32Å; Y40-V89 WeakPolarHBondContact O-CA 3.38Å; Y69-V89 WeakPolarHBondContact O-CG2 3.33Å; F70-V89 HydrophobicContact CD2-CG1 4.14Å; F70-V89 HydrophobicContact CE2-CG1 4.32Å; D83-V89 PolarHBondContact OD2-N 3.42Å; V89-F91 HydrophobicContact CG1-CE2 3.83Å; V89-F91 HydrophobicContact CG1-CZ 3.86Å
90Y95.8Very high96.4Very high85 Ų8547.5 Ų47.533%0.33322%0.219SC..EExtended strand (participates in β ladder)trans-137156.5178.966.6-91.3000112.1Y40 P50 P92Y40-Y90 VanDerWaalsContact CB-CE2 3.46Å; Y40-Y90 VanDerWaalsContact CB-OH 3.31Å; Y40-Y90 WeakPolarHBondContact CB-OH 3.44Å; Y40-Y90 HydrophobicContact CD2-CE2 4.28Å; Y40-Y90 AromaticContact CG-CE2 3.94Å; Y40-Y90 HydrophobicContact CG-CE2 3.94Å; Y40-Y90 AromaticContact CG-CZ 3.85Å; Y40-Y90 PolarHBondContact N-O 2.9Å; Y40-Y90 PolarHBondContact O-N 3.36Å; P50-Y90 HydrophobicContact CB-CE1 3.62Å; P50-Y90 WeakPolarHBondContact CB-OH 3.45Å; P50-Y90 HydrophobicContact CG-CE1 3.88Å; P50-Y90 VanDerWaalsContact CG-OH 3.28Å; P50-Y90 WeakPolarHBondContact CG-OH 3.17Å; Y90-P92 HydrophobicContact CD2-CB 4.33Å; Y90-P92 HydrophobicContact CD2-CG 4.41Å; Y90-P92 HydrophobicContact CE2-CB 4.27Å; Y90-P92 HydrophobicContact CE2-CG 4.25Å
91F97.1Very high96.4Very high31 Ų3143.9 Ų43.914%0.13620%0.204CC..  trans-123.290.9-170.2-60.7-96000107.9A39 F70 V89 F138 D139 F140 R141A39-F91 HydrophobicContact CB-CD1 3.74Å; A39-F91 HydrophobicContact CB-CE1 3.43Å; A39-F91 VanDerWaalsContact CB-CE1 3.43Å; A39-F91 HydrophobicContact CB-CZ 4.02Å; F70-F91 HydrophobicContact CE2-CE1 4.49Å; F70-F91 HydrophobicContact CE2-CZ 4.36Å; V89-F91 HydrophobicContact CG1-CE2 3.83Å; V89-F91 HydrophobicContact CG1-CZ 3.86Å; F91-F138 WeakPolarHBondContact CD1-O 3.33Å; F91-F138 WeakPolarHBondContact CG-O 3.16Å; F91-D139 HydrophobicContact CD2-CB 3.73Å; F91-D139 VanDerWaalsContact CE2-CA 3.5Å; F91-D139 HydrophobicContact CE2-CB 3.47Å; F91-D139 VanDerWaalsContact CE2-CB 3.47Å; F91-D139 VanDerWaalsContact CE2-OD1 3.27Å; F91-D139 WeakPolarHBondContact CE2-OD1 3.43Å; F91-D139 HydrophobicContact CG-CB 4.5Å; F91-D139 HydrophobicContact CZ-CB 4.01Å; F91-D139 WeakPolarHBondContact CZ-OD1 3.3Å; F91-F140 HydrophobicContact CD1-CD1 4Å; F91-F140 AromaticContact CD1-CE1 3.89Å; F91-F140 HydrophobicContact CD1-CE1 3.89Å; F91-F140 AromaticContact CE1-CD1 3.69Å; F91-F140 HydrophobicContact CE1-CD1 3.69Å; F91-F140 AromaticContact CE1-CE1 3.46Å; F91-F140 HydrophobicContact CE1-CE1 3.46Å; F91-F140 VanDerWaalsContact CE1-CE1 3.46Å; F91-F140 HydrophobicContact CE1-CG 4.4Å; F91-F140 HydrophobicContact CE1-CZ 4Å; F91-R141 HydrophobicContact CZ-CG 4.32Å
92P96.1Very high96.2Very high28 Ų2844.1 Ų44.118%0.18220%0.204CC..  trans-78.7173.3-171.734.3-37.9000112.8Y40 Y90 W98 S99 P137Y40-P92 HydrophobicContact CD2-CG 3.59Å; Y40-P92 HydrophobicContact CE2-CG 3.73Å; Y90-P92 HydrophobicContact CD2-CB 4.33Å; Y90-P92 HydrophobicContact CD2-CG 4.41Å; Y90-P92 HydrophobicContact CE2-CB 4.27Å; Y90-P92 HydrophobicContact CE2-CG 4.25Å; P92-W98 HydrophobicContact CB-CH2 3.94Å; P92-W98 HydrophobicContact CB-CZ2 3.86Å; P92-W98 HydrophobicContact CG-CH2 3.51Å; P92-W98 HydrophobicContact CG-CZ2 3.95Å; P92-S99 WeakPolarHBondContact O-CB 3.42Å; P92-S99 PolarHBondContact O-OG 2.79Å; P92-P137 VanDerWaalsContact O-CG 3.29Å; P92-P137 WeakPolarHBondContact O-CG 3.4Å
93G96.6Very high95.8Very high8 Ų839.9 Ų39.98%0.08219%0.19CC..  trans83.927.3176.700000114G95 E96 P137G93-G95 PolarHBondContact O-N 2.99Å; G93-E96 CarbonylContact O-C 3.34Å; G93-E96 WeakPolarHBondContact O-CA 3.26Å; G93-E96 PolarHBondContact O-N 3.38Å; G93-E96 VanDerWaalsContact O-O 3.11Å; G93-P137 WeakPolarHBondContact O-CD 3.45Å; G93-P137 WeakPolarHBondContact O-CG 3.45Å
94W98.3Very high95.1Very high87 Ų8739.2 Ų39.233%0.3319%0.186SC..THydrogen-bonded Turntrans-59.8120.6174-176.9-87.8000110.9E96 A136 P137 F150 K153 L154 L157W94-E96 PolarHBondContact O-N 3.49Å; W94-A136 HydrophobicContact CH2-CB 4.03Å; W94-A136 HydrophobicContact CZ3-CB 4.1Å; W94-P137 WeakPolarHBondContact CZ3-O 3.24Å; W94-F150 HydrophobicContact CH2-CD2 4.28Å; W94-F150 HydrophobicContact CH2-CE2 4.17Å; W94-F150 HydrophobicContact CZ3-CD2 4.21Å; W94-F150 HydrophobicContact CZ3-CE2 4.11Å; W94-K153 HydrophobicContact CH2-CB 3.87Å; W94-K153 VanDerWaalsContact CZ2-C 3.41Å; W94-K153 HydrophobicContact CZ2-CB 3.49Å; W94-K153 VanDerWaalsContact CZ2-CB 3.49Å; W94-K153 WeakPolarHBondContact CZ2-O 3.47Å; W94-L154 HydrophobicContact CH2-CB 4.29Å; W94-L154 HydrophobicContact CZ2-CB 4.47Å; W94-L157 HydrophobicContact CZ2-CB 4.14Å; W94-L157 HydrophobicContact CZ2-CD2 3.98Å
95G98.6Very high94.2Very high2 Ų241.8 Ų41.82%0.02121%0.205CC..THydrogen-bonded Turntrans78.9-7.5-173.400000114G93 R134 G135G93-G95 PolarHBondContact O-N 2.99Å; G95-R134 WeakPolarHBondContact O-CD 3.36Å; G95-R134 PolarHBondContact O-NE 2.89Å; G95-G135 WeakPolarHBondContact CA-O 3.39Å; G95-G135 PolarHBondContact N-O 2.84Å
96E98.3Very high93.4Very high84 Ų8445.7 Ų45.739%0.39321%0.213SC..  trans-100.7165175.5-60.9175.8-156.700110.1G93 W94 W98 N130 G135G93-E96 CarbonylContact O-C 3.34Å; G93-E96 WeakPolarHBondContact O-CA 3.26Å; G93-E96 PolarHBondContact O-N 3.38Å; G93-E96 VanDerWaalsContact O-O 3.11Å; W94-E96 PolarHBondContact O-N 3.49Å; E96-W98 PolarHBondContact OE2-NE1 2.8Å; E96-N130 WeakPolarHBondContact CA-OD1 3.12Å; E96-N130 WeakPolarHBondContact CB-OD1 3.45Å; E96-N130 HydrophobicContact CG-CB 4.33Å; E96-G135 VanDerWaalsContact O-CA 3.26Å; E96-G135 WeakPolarHBondContact O-CA 3.37Å; E96-G135 PolarHBondContact O-N 2.97Å
97T97.8Very high92.6Very high2 Ų248.5 Ų48.51%0.01222%0.222CC..SBendtrans-102.9-21.9-177.757.30000113.8S99 I100 E101 I118 R122 N130 I133T97-S99 VanDerWaalsContact C-N 3.28Å; T97-S99 PolarHBondContact O-N 2.65Å; T97-S99 VanDerWaalsContact O-N 3.15Å; T97-I100 WeakPolarHBondContact O-CG1 3.46Å; T97-I100 PolarHBondContact O-N 3.19Å; T97-E101 WeakPolarHBondContact CB-OE1 3.07Å; T97-E101 WeakPolarHBondContact O-CG 3.46Å; T97-E101 PolarHBondContact O-N 3.42Å; T97-E101 PolarHBondContact OG1-OE1 2.78Å; T97-I118 HydrophobicContact CG2-CD1 4.2Å; T97-R122 PolarHBondContact OG1-NH2 3.42Å; T97-R122 VanDerWaalsContact OG1-NH2 3.17Å; T97-N130 PolarHBondContact N-OD1 2.9Å; T97-N130 PolarHBondContact OG1-OD1 3.26Å; T97-I133 HydrophobicContact CG2-CB 4.28Å; T97-I133 HydrophobicContact CG2-CG2 3.82Å; T97-I133 WeakPolarHBondContact CG2-O 3.32Å
98W95.5Very high91.7Very high91 Ų9151.3 Ų51.335%0.34524%0.235SC..Hα-helixtrans-57.9-37.8-169.865.5-94.6000113.5Q38 Y40 P92 E96 I100 E101Q38-W98 HydrophobicContact CG-CZ3 4.5Å; Y40-W98 HydrophobicContact CE2-CH2 4.29Å; P92-W98 HydrophobicContact CB-CH2 3.94Å; P92-W98 HydrophobicContact CB-CZ2 3.86Å; P92-W98 HydrophobicContact CG-CH2 3.51Å; P92-W98 HydrophobicContact CG-CZ2 3.95Å; E96-W98 PolarHBondContact OE2-NE1 2.8Å; W98-I100 PolarHBondContact O-N 2.02Å; W98-E101 PolarHBondContact O-N 2.97Å
99S95.4Very high90.8Very high0 Ų051.5 Ų51.50%025%0.247CC..Hα-helixtrans-74.8-13.5-176.666.60000113.6C37 Q38 P92 T97C37-S99 CarbonylContact C-O 3.59Å; C37-S99 WeakPolarHBondContact CA-O 3.32Å; Q38-S99 PolarHBondContact N-O 3.27Å; P92-S99 WeakPolarHBondContact O-CB 3.42Å; P92-S99 PolarHBondContact O-OG 2.79Å; T97-S99 VanDerWaalsContact C-N 3.28Å; T97-S99 PolarHBondContact O-N 2.65Å; T97-S99 VanDerWaalsContact O-N 3.15Å
100I96.9Very high89.8Confident0 Ų061.8 Ų61.80%029%0.285CS..Hα-helixtrans-110.8-13.7175.364.2164.8000112.6I30 P32 C37 T97 W98 Y113 C114 I118 P137I30-I100 HydrophobicContact CB-CD1 3.86Å; I30-I100 HydrophobicContact CD1-CD1 4.27Å; I30-I100 HydrophobicContact CG2-CD1 3.8Å; P32-I100 HydrophobicContact CB-CG2 3.98Å; P32-I100 HydrophobicContact CG-CG2 3.88Å; C37-I100 HydrophobicContact CB-CG2 3.82Å; T97-I100 WeakPolarHBondContact O-CG1 3.46Å; T97-I100 PolarHBondContact O-N 3.19Å; W98-I100 PolarHBondContact O-N 2.02Å; I100-Y113 WeakPolarHBondContact O-CD1 3.48Å; I100-C114 HydrophobicContact CD1-CB 4.44Å; I100-C114 HydrophobicContact CG1-CB 4.45Å; I100-C114 VanDerWaalsContact O-CB 3.31Å; I100-C114 WeakPolarHBondContact O-CB 3.38Å; I100-C114 PolarHBondContact O-N 3Å; I100-I118 HydrophobicContact CD1-CD1 4.38Å; I100-P137 HydrophobicContact CG2-CB 4.41Å
101E95.8Very high89.2Confident30 Ų3057.9 Ų57.914%0.1427%0.27CS..Hα-helixtrans-71.6-45.2174.6-79177.1-108.200111.6T97 W98 Y113 G115 I118 R122T97-E101 WeakPolarHBondContact CB-OE1 3.07Å; T97-E101 WeakPolarHBondContact O-CG 3.46Å; T97-E101 PolarHBondContact O-N 3.42Å; T97-E101 PolarHBondContact OG1-OE1 2.78Å; W98-E101 PolarHBondContact O-N 2.97Å; E101-Y113 PolarHBondContact O-N 3.4Å; E101-G115 PolarHBondContact O-N 3.34Å; E101-I118 HydrophobicContact CG-CB 4.38Å; E101-I118 HydrophobicContact CG-CD1 3.61Å; E101-I118 HydrophobicContact CG-CG2 4.32Å; E101-R122 IonicContact OE1-CZ 2.85Å; E101-R122 IonicContact OE1-NH1 3.25Å; E101-R122 IonicContact OE1-NH2 3.33Å; E101-R122 PolarHBondContact OE1-NH2 3.4Å; E101-R122 IonicContact OE2-CZ 3.42Å; E101-R122 IonicContact OE2-NH1 3.66Å; E101-R122 PolarHBondContact OE2-NH1 3.18Å; E101-R122 IonicContact OE2-NH2 3.91Å; E101-R122 PolarHBondContact OE2-NH2 3.5Å; E101-R122 VanDerWaalsContact OE2-NH2 3.1Å
102N92.2Very high88.8Confident13 Ų1359.2 Ų59.27%0.0728%0.277CS..BIsolated β-bridgetrans-137.6134.4175.1-162.4-76.3000110.8Q38 D104 K107 T111 E112Q38-N102 PolarHBondContact NE2-O 2.78Å; N102-D104 PolarHBondContact OD1-N 3.14Å; N102-D104 PolarHBondContact OD1-O 2.86Å; N102-K107 WeakPolarHBondContact ND2-CG 3.43Å; N102-T111 WeakPolarHBondContact CA-O 3.34Å; N102-T111 PolarHBondContact ND2-O 3.38Å; N102-T111 PolarHBondContact ND2-OG1 3.33Å; N102-T111 WeakPolarHBondContact OD1-CB 3.42Å; N102-T111 PolarHBondContact OD1-OG1 3.48Å; N102-E112 PolarHBondContact ND2-N 2.93Å
103L88.1Confident88.7Confident23 Ų2358.3 Ų58.312%0.1227%0.27CS..SBendtrans-83.3-14.4-175.5-56.4-179.4000113.3Q38 I55 T111 Y113Q38-L103 WeakPolarHBondContact CG-O 3.5Å; I55-L103 HydrophobicContact CB-CB 4.35Å; I55-L103 HydrophobicContact CG2-CB 3.67Å; I55-L103 WeakPolarHBondContact CG2-O 3.43Å; I55-L103 PolarHBondContact N-O 3.06Å; L103-T111 PolarHBondContact N-O 2.8Å; L103-Y113 HydrophobicContact CD2-CD1 4.14Å; L103-Y113 HydrophobicContact CD2-CG 4.41Å
104D83.6Confident88.7Confident20 Ų2058 Ų5811%0.10727%0.266CS..SBendtrans-108.7151.7176.1-167.2-25.7000109.7Q38 I55 N102 Y106 H108 T111Q38-D104 PolarHBondContact NE2-O 3.01Å; I55-D104 HydrophobicContact CG2-CB 4.09Å; N102-D104 PolarHBondContact OD1-N 3.14Å; N102-D104 PolarHBondContact OD1-O 2.86Å; D104-Y106 PolarHBondContact O-N 2.86Å; D104-Y106 PolarHBondContact OD1-N 2.96Å; D104-H108 IonicContact OD2-CD2 2.71Å; D104-H108 IonicContact OD2-NE2 3.61Å; D104-T111 HydrophobicContact CB-CG2 3.69Å
105S74.5Confident88.6Confident67 Ų6753.9 Ų53.947%0.46925%0.251SS..SBendtrans-63.8-28.5167.8-69.80000111.9
106Y77.3Confident88.5Confident192 Ų19255.5 Ų55.575%0.75326%0.261SS*.SBendtrans-104.199.5173.6-63.5-78000110.5D104 H108D104-Y106 PolarHBondContact O-N 2.86Å; D104-Y106 PolarHBondContact OD1-N 2.96Å; Y106-H108 PolarHBondContact O-CD2 3.42Å; Y106-H108 PolarHBondContact O-N 2.66Å; Y106-H108 VanDerWaalsContact O-N 3.13Å
107K78.1Confident88.4Confident138 Ų13851.5 Ų51.560%0.624%0.242SC*.  trans-53.5120.2-179.6172.8163.8-174171.10111.3N102 E112N102-K107 WeakPolarHBondContact ND2-CG 3.43Å; K107-E112 WeakPolarHBondContact CE-OE1 3.41Å; K107-E112 IonicContact NZ-OE1 2.71Å; K107-E112 PolarHBondContact NZ-OE1 3.01Å
108H77.2Confident88.4Confident60 Ų6051.4 Ų51.428%0.27824%0.242SC..  trans-141.3162.8166.762.970000110.7D104 Y106 R110 T111 E112D104-H108 IonicContact OD2-CD2 2.71Å; D104-H108 IonicContact OD2-NE2 3.61Å; Y106-H108 PolarHBondContact O-CD2 3.42Å; Y106-H108 PolarHBondContact O-N 2.66Å; Y106-H108 VanDerWaalsContact O-N 3.13Å; H108-R110 PolarHBondContact ND1-N 3.03Å; H108-R110 PolarHBondContact O-N 2.95Å; H108-R110 VanDerWaalsContact O-N 3.08Å; H108-T111 WeakPolarHBondContact CE1-CG2 3.41Å; H108-T111 PolarHBondContact N-OG1 3.02Å; H108-T111 PolarHBondContact ND1-N 3.31Å; H108-T111 PolarHBondContact ND1-OG1 3.03Å; H108-T111 WeakPolarHBondContact NE2-CG2 3.44Å; H108-T111 PolarHBondContact O-N 3.03Å; H108-T111 PolarHBondContact O-OG1 3.34Å; H108-E112 PolarHBondContact O-N 3.33Å
109S75.6Confident88.5Confident106 Ų10651.6 Ų51.674%0.74125%0.246SC*.THydrogen-bonded Turntrans-57.9-30-172.454.90000114.1T111S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 2.73Å
110R76.7Confident88.6Confident230 Ų23052.5 Ų52.587%0.86825%0.253SS*.THydrogen-bonded Turntrans-77.5-9.6178.4-51.4-179.6-178.2172.90.3115.3H108H108-R110 PolarHBondContact ND1-N 3.03Å; H108-R110 PolarHBondContact O-N 2.95Å; H108-R110 VanDerWaalsContact O-N 3.08Å
111T82.7Confident88.6Confident4 Ų452.5 Ų52.53%0.02525%0.253CS..THydrogen-bonded Turntrans-118.5-3.7-178.349.90000112.4I55 N102 L103 D104 H108 S109 Y113I55-T111 HydrophobicContact CG2-CG2 3.59Å; N102-T111 WeakPolarHBondContact CA-O 3.34Å; N102-T111 PolarHBondContact ND2-O 3.38Å; N102-T111 PolarHBondContact ND2-OG1 3.33Å; N102-T111 WeakPolarHBondContact OD1-CB 3.42Å; N102-T111 PolarHBondContact OD1-OG1 3.48Å; L103-T111 PolarHBondContact N-O 2.8Å; D104-T111 HydrophobicContact CB-CG2 3.69Å; H108-T111 WeakPolarHBondContact CE1-CG2 3.41Å; H108-T111 PolarHBondContact N-OG1 3.02Å; H108-T111 PolarHBondContact ND1-N 3.31Å; H108-T111 PolarHBondContact ND1-OG1 3.03Å; H108-T111 WeakPolarHBondContact NE2-CG2 3.44Å; H108-T111 PolarHBondContact O-N 3.03Å; H108-T111 PolarHBondContact O-OG1 3.34Å; S109-T111 VanDerWaalsContact C-N 3.31Å; S109-T111 PolarHBondContact O-N 2.73Å; T111-Y113 PolarHBondContact O-N 3.01Å
112E89.3Confident88.7Confident59 Ų5954.2 Ų54.228%0.27626%0.258SS..BIsolated β-bridgetrans-68128.8170.9-179.8162.1-106.800109.6N102 K107 H108 P116N102-E112 PolarHBondContact ND2-N 2.93Å; K107-E112 WeakPolarHBondContact CE-OE1 3.41Å; K107-E112 IonicContact NZ-OE1 2.71Å; K107-E112 PolarHBondContact NZ-OE1 3.01Å; H108-E112 PolarHBondContact O-N 3.33Å; E112-P116 VanDerWaalsContact CG-CD 3.47Å; E112-P116 HydrophobicContact CG-CG 3.78Å; E112-P116 WeakPolarHBondContact OE2-CG 3.16Å
113Y94.8Very high88.9Confident9 Ų959.2 Ų59.24%0.03528%0.284CS..SBendtrans-123.3-93.1-174.5177.2-129.4000110.3P32 G33 G36 I100 E101 L103 T111 G115 P116 H175 V375 M378P32-Y113 HydrophobicContact CB-CE1 3.78Å; G33-Y113 PolarHBondContact N-OH 3.21Å; G36-Y113 VanDerWaalsContact O-CD1 3.25Å; G36-Y113 WeakPolarHBondContact O-CD1 3.3Å; G36-Y113 WeakPolarHBondContact O-CE1 3.31Å; I100-Y113 WeakPolarHBondContact O-CD1 3.48Å; E101-Y113 PolarHBondContact O-N 3.4Å; L103-Y113 HydrophobicContact CD2-CD1 4.14Å; L103-Y113 HydrophobicContact CD2-CG 4.41Å; T111-Y113 PolarHBondContact O-N 3.01Å; Y113-G115 PolarHBondContact O-N 3.03Å; Y113-P116 WeakPolarHBondContact O-CD 3.36Å; Y113-H175 AromaticContact CE2-CE1 3.84Å; Y113-H175 AromaticContact CE2-ND1 3.53Å; Y113-H175 AromaticContact CZ-ND1 3.53Å; Y113-H175 PolarHBondContact OH-ND1 2.9Å; Y113-V375 HydrophobicContact CD2-CG1 3.94Å; Y113-V375 HydrophobicContact CE2-CG1 4.34Å; Y113-M378 HydrophobicContact CD2-CG 4.22Å; Y113-M378 HydrophobicContact CE2-CE 4.18Å; Y113-M378 HydrophobicContact CE2-CG 3.96Å; Y113-M378 VanDerWaalsContact O-CB 3.32Å; Y113-M378 WeakPolarHBondContact O-CB 3.38Å
114C96.8Very high89.3Confident0 Ų058.4 Ų58.40%028%0.28CS..SBendtrans-76.2-7.7175.8-64.10000113.8I100 M117 I118I100-C114 HydrophobicContact CD1-CB 4.44Å; I100-C114 HydrophobicContact CG1-CB 4.45Å; I100-C114 VanDerWaalsContact O-CB 3.31Å; I100-C114 WeakPolarHBondContact O-CB 3.38Å; I100-C114 PolarHBondContact O-N 3Å; C114-M117 HydrophobicContact CB-CE 4.33Å; C114-M117 PolarHBondContact O-N 2.95Å; C114-I118 HydrophobicContact CB-CD1 3.64Å; C114-I118 HydrophobicContact CB-CG1 4.23Å; C114-I118 WeakPolarHBondContact O-CG1 3.44Å; C114-I118 PolarHBondContact O-N 2.91Å
115G95.9Very high89.8Confident1 Ų163.1 Ų63.11%0.0131%0.311CS..Hα-helixtrans-46.4-54.5-17500000114.6E101 Y113 M117 I118 E119E101-G115 PolarHBondContact O-N 3.34Å; Y113-G115 PolarHBondContact O-N 3.03Å; G115-M117 PolarHBondContact O-N 2.69Å; G115-I118 PolarHBondContact O-N 3.39Å; G115-E119 WeakPolarHBondContact O-CB 3.31Å; G115-E119 WeakPolarHBondContact O-CG 3.46Å; G115-E119 PolarHBondContact O-N 3.31Å
116P95.4Very high90.9Very high37 Ų3761.6 Ų61.624%0.2430%0.296CS..Hα-helixtrans-64.6-39.5-174.3-23.936.2000113E112 Y113 S120 I384E112-P116 VanDerWaalsContact CG-CD 3.47Å; E112-P116 HydrophobicContact CG-CG 3.78Å; E112-P116 WeakPolarHBondContact OE2-CG 3.16Å; Y113-P116 WeakPolarHBondContact O-CD 3.36Å; P116-S120 WeakPolarHBondContact O-CB 3.45Å; P116-S120 PolarHBondContact O-N 3.05Å; P116-I384 HydrophobicContact CB-CD1 4.34Å
117M97.6Very high91.9Very high0 Ų052.6 Ų52.60%026%0.261CS..Hα-helixtrans-62.7-48.9173.7176.9-171.665.300110.9I30 C114 G115 S120 L121 L173 M378 F383 I384 I387I30-M117 HydrophobicContact CD1-CE 3.45Å; I30-M117 VanDerWaalsContact CD1-CE 3.45Å; I30-M117 HydrophobicContact CG1-CE 4.08Å; C114-M117 HydrophobicContact CB-CE 4.33Å; C114-M117 PolarHBondContact O-N 2.95Å; G115-M117 PolarHBondContact O-N 2.69Å; M117-S120 WeakPolarHBondContact O-CB 3.4Å; M117-S120 PolarHBondContact O-N 3.38Å; M117-L121 WeakPolarHBondContact O-CG 3.49Å; M117-L121 PolarHBondContact O-N 3.37Å; M117-L173 HydrophobicContact SD-CD1 4.27Å; M117-M378 WeakPolarHBondContact CB-O 3.46Å; M117-M378 HydrophobicContact CE-SD 4.34Å; M117-M378 HydrophobicContact SD-SD 4.49Å; M117-F383 HydrophobicContact CB-CE1 4.46Å; M117-F383 HydrophobicContact CG-CE1 4.18Å; M117-F383 HydrophobicContact SD-CE1 3.54Å; M117-F383 VanDerWaalsContact SD-CE1 3.54Å; M117-F383 HydrophobicContact SD-CZ 3.66Å; M117-I384 HydrophobicContact CB-CG1 4.45Å; M117-I387 HydrophobicContact CG-CG2 3.95Å; M117-I387 HydrophobicContact SD-CG1 4.26Å; M117-I387 HydrophobicContact SD-CG2 4.16Å
118I97.9Very high92.9Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-65-42.5-177-69.4173.5000110.8I30 T97 I100 E101 C114 G115 S120 L121 R122 I133I30-I118 HydrophobicContact CD1-CD1 3.93Å; I30-I118 HydrophobicContact CD1-CG1 4.02Å; T97-I118 HydrophobicContact CG2-CD1 4.2Å; I100-I118 HydrophobicContact CD1-CD1 4.38Å; E101-I118 HydrophobicContact CG-CB 4.38Å; E101-I118 HydrophobicContact CG-CD1 3.61Å; E101-I118 HydrophobicContact CG-CG2 4.32Å; C114-I118 HydrophobicContact CB-CD1 3.64Å; C114-I118 HydrophobicContact CB-CG1 4.23Å; C114-I118 WeakPolarHBondContact O-CG1 3.44Å; C114-I118 PolarHBondContact O-N 2.91Å; G115-I118 PolarHBondContact O-N 3.39Å; I118-S120 VanDerWaalsContact C-N 3.31Å; I118-S120 PolarHBondContact O-N 2.88Å; I118-L121 PolarHBondContact O-N 3.44Å; I118-R122 VanDerWaalsContact CG2-NH2 3.33Å; I118-R122 VanDerWaalsContact O-CG 3.31Å; I118-R122 WeakPolarHBondContact O-CG 3.28Å; I118-R122 PolarHBondContact O-N 2.83Å; I118-I133 HydrophobicContact CD1-CG2 4.48Å; I118-I133 HydrophobicContact CG1-CG2 4.2Å; I118-I133 HydrophobicContact CG2-CD1 4.08Å; I118-I133 HydrophobicContact CG2-CG2 4.48Å
119E96.7Very high93.9Very high94 Ų9448.2 Ų48.244%0.43925%0.252SS..Hα-helixtrans-58.2-42.2172.8-76-59.7120.300112G115 R122G115-E119 WeakPolarHBondContact O-CB 3.31Å; G115-E119 WeakPolarHBondContact O-CG 3.46Å; G115-E119 PolarHBondContact O-N 3.31Å; E119-R122 PolarHBondContact O-N 2.98Å; E119-R122 IonicContact OE1-CZ 2.74Å; E119-R122 IonicContact OE1-NH1 3.58Å; E119-R122 PolarHBondContact OE1-NH1 3.12Å
120S97Very high95Very high20 Ų2046.3 Ų46.314%0.1423%0.233CC..Hα-helixtrans-63.2-42.5176.2-173.70000112.1P116 M117 I118 L123 I384 R388P116-S120 WeakPolarHBondContact O-CB 3.45Å; P116-S120 PolarHBondContact O-N 3.05Å; M117-S120 WeakPolarHBondContact O-CB 3.4Å; M117-S120 PolarHBondContact O-N 3.38Å; I118-S120 VanDerWaalsContact C-N 3.31Å; I118-S120 PolarHBondContact O-N 2.88Å; S120-L123 WeakPolarHBondContact O-CB 3.3Å; S120-L123 WeakPolarHBondContact O-CG 3.4Å; S120-L123 PolarHBondContact O-N 3.26Å; S120-I384 WeakPolarHBondContact OG-CG2 3.49Å; S120-R388 PolarHBondContact O-NH1 2.94Å; S120-R388 WeakPolarHBondContact OG-CD 3.26Å; S120-R388 PolarHBondContact OG-NH1 3.37Å
121L97.8Very high96Very high0 Ų041.9 Ų41.90%022%0.216CC..Hα-helixtrans-63-43.5177.4-67.9-179.4000112I28 M117 I118 L123 D124 F127 I133 R388 V391 A393I28-L121 HydrophobicContact CG2-CD1 4.11Å; M117-L121 WeakPolarHBondContact O-CG 3.49Å; M117-L121 PolarHBondContact O-N 3.37Å; I118-L121 PolarHBondContact O-N 3.44Å; L121-L123 PolarHBondContact O-N 3.1Å; L121-D124 PolarHBondContact O-N 3.12Å; L121-F127 HydrophobicContact CB-CB 4.08Å; L121-F127 HydrophobicContact CB-CD1 4.41Å; L121-F127 HydrophobicContact CB-CG 4.19Å; L121-F127 WeakPolarHBondContact O-CB 3.46Å; L121-I133 HydrophobicContact CB-CD1 3.87Å; L121-I133 HydrophobicContact CD1-CD1 4.31Å; L121-R388 HydrophobicContact CD2-CG 4.09Å; L121-V391 HydrophobicContact CD2-CG2 3.67Å; L121-A393 HydrophobicContact CD2-CB 4.2Å
122R97.3Very high96.8Very high66 Ų6641.9 Ų41.925%0.24922%0.216CC..Hα-helixtrans-58.6-15.4179-73.1169.1179.7158.44.4114.5T97 E101 I118 E119 D124 S129 I133T97-R122 PolarHBondContact OG1-NH2 3.42Å; T97-R122 VanDerWaalsContact OG1-NH2 3.17Å; E101-R122 IonicContact OE1-CZ 2.85Å; E101-R122 IonicContact OE1-NH1 3.25Å; E101-R122 IonicContact OE1-NH2 3.33Å; E101-R122 PolarHBondContact OE1-NH2 3.4Å; E101-R122 IonicContact OE2-CZ 3.42Å; E101-R122 IonicContact OE2-NH1 3.66Å; E101-R122 PolarHBondContact OE2-NH1 3.18Å; E101-R122 IonicContact OE2-NH2 3.91Å; E101-R122 PolarHBondContact OE2-NH2 3.5Å; E101-R122 VanDerWaalsContact OE2-NH2 3.1Å; I118-R122 VanDerWaalsContact CG2-NH2 3.33Å; I118-R122 VanDerWaalsContact O-CG 3.31Å; I118-R122 WeakPolarHBondContact O-CG 3.28Å; I118-R122 PolarHBondContact O-N 2.83Å; E119-R122 PolarHBondContact O-N 2.98Å; E119-R122 IonicContact OE1-CZ 2.74Å; E119-R122 IonicContact OE1-NH1 3.58Å; E119-R122 PolarHBondContact OE1-NH1 3.12Å; R122-D124 PolarHBondContact O-N 3.27Å; R122-S129 PolarHBondContact NE-OG 2.87Å; R122-S129 PolarHBondContact NH2-OG 2.85Å; R122-I133 HydrophobicContact CG-CD1 4.16Å
123L96.7Very high97.2Very high118 Ų11839.1 Ų39.162%0.61820%0.203SC*.THydrogen-bonded Turntrans-63.5-23.9173.2-62.9178.3000112.8S120 L121S120-L123 WeakPolarHBondContact O-CB 3.3Å; S120-L123 WeakPolarHBondContact O-CG 3.4Å; S120-L123 PolarHBondContact O-N 3.26Å; L121-L123 PolarHBondContact O-N 3.1Å
124D95.8Very high97.4Very high5 Ų539.4 Ų39.43%0.02721%0.205CC..SBendtrans-98.2124.9172.7-179.6-44.1000109.8K25 L121 R122 F126 F127 A393 N394K25-D124 VanDerWaalsContact CE-OD2 3.27Å; K25-D124 WeakPolarHBondContact CE-OD2 3.18Å; K25-D124 IonicContact NZ-OD1 2.77Å; K25-D124 PolarHBondContact NZ-OD1 3.12Å; K25-D124 IonicContact NZ-OD2 3.93Å; K25-D124 PolarHBondContact NZ-OD2 2.99Å; L121-D124 PolarHBondContact O-N 3.12Å; R122-D124 PolarHBondContact O-N 3.27Å; D124-F126 PolarHBondContact O-N 3.21Å; D124-F126 WeakPolarHBondContact OD1-CB 3.38Å; D124-F126 PolarHBondContact OD1-N 3.43Å; D124-F127 HydrophobicContact CB-CD2 3.8Å; D124-F127 HydrophobicContact CB-CE2 4.2Å; D124-F127 PolarHBondContact O-N 2.88Å; D124-A393 HydrophobicContact CB-CB 4.35Å; D124-N394 PolarHBondContact OD2-N 2.65Å; D124-N394 VanDerWaalsContact OD2-N 3.09Å
125P95.6Very high97.5Very high119 Ų11939.4 Ų39.477%0.77321%0.205SC*.THydrogen-bonded Turntrans-57.9-16.7-173.7-26.834.3000116.4F127P125-F127 VanDerWaalsContact C-N 3.3Å
126F96.8Very high97.6Very high35 Ų3539.4 Ų39.415%0.15420%0.204CC..THydrogen-bonded Turntrans-69.9-28.7175176-101.2000112.6K25 D124 V128 T132K25-F126 HydrophobicContact CB-CD1 3.53Å; K25-F126 HydrophobicContact CB-CD2 4.37Å; K25-F126 HydrophobicContact CB-CE1 3.68Å; K25-F126 HydrophobicContact CB-CG 3.88Å; K25-F126 HydrophobicContact CB-CZ 4.18Å; K25-F126 HydrophobicContact CD-CB 3.48Å; K25-F126 VanDerWaalsContact CD-CB 3.48Å; K25-F126 HydrophobicContact CD-CD1 4Å; K25-F126 HydrophobicContact CD-CD2 4.45Å; K25-F126 HydrophobicContact CD-CG 3.71Å; K25-F126 HydrophobicContact CG-CD1 4.4Å; K25-F126 HydrophobicContact CG-CG 4.45Å; D124-F126 PolarHBondContact O-N 3.21Å; D124-F126 WeakPolarHBondContact OD1-CB 3.38Å; D124-F126 PolarHBondContact OD1-N 3.43Å; F126-V128 PolarHBondContact O-N 2.9Å; F126-T132 HydrophobicContact CE1-CG2 4.38Å; F126-T132 HydrophobicContact CE2-CG2 4.22Å; F126-T132 HydrophobicContact CZ-CG2 4.05Å; F126-T132 PolarHBondContact O-OG1 3.41Å
127F98.2Very high97.8Very high4 Ų437.8 Ų37.82%0.01819%0.194CC..  trans-94.897.1-172.6-63.5-84.7000110.8K25 Y26 L121 D124 P125 T132 I133 V391 A393K25-F127 HydrophobicContact CB-CZ 4.49Å; K25-F127 HydrophobicContact CD-CE2 4.41Å; Y26-F127 WeakPolarHBondContact O-CE1 3.32Å; L121-F127 HydrophobicContact CB-CB 4.08Å; L121-F127 HydrophobicContact CB-CD1 4.41Å; L121-F127 HydrophobicContact CB-CG 4.19Å; L121-F127 WeakPolarHBondContact O-CB 3.46Å; D124-F127 HydrophobicContact CB-CD2 3.8Å; D124-F127 HydrophobicContact CB-CE2 4.2Å; D124-F127 PolarHBondContact O-N 2.88Å; P125-F127 VanDerWaalsContact C-N 3.3Å; F127-T132 WeakPolarHBondContact CA-OG1 3.3Å; F127-I133 HydrophobicContact CB-CD1 3.92Å; F127-I133 HydrophobicContact CB-CG1 3.98Å; F127-I133 HydrophobicContact CD1-CG1 4.29Å; F127-V391 HydrophobicContact CE1-CB 3.71Å; F127-V391 HydrophobicContact CE1-CG1 4.47Å; F127-V391 HydrophobicContact CE1-CG2 3.52Å; F127-V391 HydrophobicContact CE2-CG2 4.24Å; F127-V391 HydrophobicContact CZ-CB 3.72Å; F127-V391 HydrophobicContact CZ-CG2 3.32Å; F127-V391 WeakPolarHBondContact CZ-O 3.13Å; F127-A393 HydrophobicContact CD2-CB 4.08Å; F127-A393 HydrophobicContact CE2-CB 3.44Å; F127-A393 VanDerWaalsContact CE2-CB 3.44Å; F127-A393 HydrophobicContact CZ-CB 3.96Å
128V98.3Very high97.8Very high75 Ų7538.1 Ų38.146%0.45520%0.195SC..  trans-114.4125.3-177.8-176.90000108.5F126 W131 T132 I133F126-V128 PolarHBondContact O-N 2.9Å; V128-W131 HydrophobicContact CB-CB 4.13Å; V128-W131 HydrophobicContact CG1-CB 4.15Å; V128-W131 PolarHBondContact O-N 3.38Å; V128-T132 PolarHBondContact N-OG1 2.91Å; V128-T132 PolarHBondContact O-N 3.15Å; V128-T132 PolarHBondContact O-OG1 3.21Å; V128-I133 PolarHBondContact O-N 3.1Å
129S98.4Very high97.8Very high31 Ų3139 Ų3922%0.21720%0.2CC..BIsolated β-bridgetrans-52.1144.4174.6-35.20000111.6R122 W131R122-S129 PolarHBondContact NE-OG 2.87Å; R122-S129 PolarHBondContact NH2-OG 2.85Å; S129-W131 PolarHBondContact O-N 2.92Å
130N98.5Very high97.9Very high66 Ų6634.7 Ų34.735%0.35318%0.179SC..THydrogen-bonded Turntrans63.34.5177.5-42.8-21.2000113.1E96 T97 I133 R134E96-N130 WeakPolarHBondContact CA-OD1 3.12Å; E96-N130 WeakPolarHBondContact CB-OD1 3.45Å; E96-N130 HydrophobicContact CG-CB 4.33Å; T97-N130 PolarHBondContact N-OD1 2.9Å; T97-N130 PolarHBondContact OG1-OD1 3.26Å; N130-I133 PolarHBondContact N-O 3.1Å; N130-R134 VanDerWaalsContact O-CD 3.31Å; N130-R134 WeakPolarHBondContact O-CD 3.5Å; N130-R134 PolarHBondContact O-NE 2.9Å
131W98.6Very high97.9Very high137 Ų13733.8 Ų33.852%0.51917%0.173SC..THydrogen-bonded Turntrans-126.3-70.4-178.5-164.9-100.6000111.9V128 S129 R134 N164V128-W131 HydrophobicContact CB-CB 4.13Å; V128-W131 HydrophobicContact CG1-CB 4.15Å; V128-W131 PolarHBondContact O-N 3.38Å; S129-W131 PolarHBondContact O-N 2.92Å; W131-R134 WeakPolarHBondContact O-CD 3.46Å; W131-N164 HydrophobicContact CD2-CB 4.08Å; W131-N164 HydrophobicContact CG-CB 4.16Å; W131-N164 HydrophobicContact CZ2-CB 4.25Å; W131-N164 WeakPolarHBondContact CZ2-OD1 3.23Å; W131-N164 PolarHBondContact NE1-O 3.44Å; W131-N164 WeakPolarHBondContact O-CB 3.41Å; W131-N164 PolarHBondContact O-ND2 3.19Å
132T98.6Very high97.9Very high4 Ų435.6 Ų35.63%0.02518%0.181CC..THydrogen-bonded Turntrans-104.1-15174.553.30000113.4P27 I28 F126 F127 V128P27-T132 CarbonylContact C-O 3.59Å; P27-T132 WeakPolarHBondContact CA-O 3.11Å; P27-T132 HydrophobicContact CB-CG2 4.31Å; P27-T132 WeakPolarHBondContact CB-O 3.44Å; I28-T132 PolarHBondContact N-O 3.42Å; F126-T132 HydrophobicContact CE1-CG2 4.38Å; F126-T132 HydrophobicContact CE2-CG2 4.22Å; F126-T132 HydrophobicContact CZ-CG2 4.05Å; F126-T132 PolarHBondContact O-OG1 3.41Å; F127-T132 WeakPolarHBondContact CA-OG1 3.3Å; V128-T132 PolarHBondContact N-OG1 2.91Å; V128-T132 PolarHBondContact O-N 3.15Å; V128-T132 PolarHBondContact O-OG1 3.21Å
133I98.8Very high97.9Very high0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-109.1116.4163.1-46.9174.8000107.4I28 I30 T97 I118 L121 R122 F127 V128 N130I28-I133 HydrophobicContact CG2-CB 4.18Å; I28-I133 HydrophobicContact CG2-CG1 4.18Å; I28-I133 HydrophobicContact CG2-CG2 3.88Å; I30-I133 HydrophobicContact CD1-CG2 3.97Å; T97-I133 HydrophobicContact CG2-CB 4.28Å; T97-I133 HydrophobicContact CG2-CG2 3.82Å; T97-I133 WeakPolarHBondContact CG2-O 3.32Å; I118-I133 HydrophobicContact CD1-CG2 4.48Å; I118-I133 HydrophobicContact CG1-CG2 4.2Å; I118-I133 HydrophobicContact CG2-CD1 4.08Å; I118-I133 HydrophobicContact CG2-CG2 4.48Å; L121-I133 HydrophobicContact CB-CD1 3.87Å; L121-I133 HydrophobicContact CD1-CD1 4.31Å; R122-I133 HydrophobicContact CG-CD1 4.16Å; F127-I133 HydrophobicContact CB-CD1 3.92Å; F127-I133 HydrophobicContact CB-CG1 3.98Å; F127-I133 HydrophobicContact CD1-CG1 4.29Å; V128-I133 PolarHBondContact O-N 3.1Å; N130-I133 PolarHBondContact N-O 3.1Å
134R98.8Very high97.9Very high16 Ų1627 Ų276%0.0614%0.141CC..EExtended strand (participates in β ladder)trans-123.7140.3-179-53.4-66.7-74.4-94.15.4111.2I28 V29 I30 G95 N130 W131 L157 E160 T161 N164I28-R134 PolarHBondContact O-N 2.93Å; V29-R134 CarbonylContact C-O 3.53Å; V29-R134 WeakPolarHBondContact CA-O 3.36Å; V29-R134 HydrophobicContact CG2-CB 4.17Å; I30-R134 PolarHBondContact N-O 3.38Å; G95-R134 WeakPolarHBondContact O-CD 3.36Å; G95-R134 PolarHBondContact O-NE 2.89Å; N130-R134 VanDerWaalsContact O-CD 3.31Å; N130-R134 WeakPolarHBondContact O-CD 3.5Å; N130-R134 PolarHBondContact O-NE 2.9Å; W131-R134 WeakPolarHBondContact O-CD 3.46Å; R134-L157 HydrophobicContact CB-CD1 4.16Å; R134-L157 HydrophobicContact CB-CD2 4.45Å; R134-L157 HydrophobicContact CB-CG 4.47Å; R134-L157 HydrophobicContact CG-CD1 4.29Å; R134-E160 IonicContact CZ-OE1 2.77Å; R134-E160 VanDerWaalsContact CZ-OE1 3.27Å; R134-E160 VanDerWaalsContact NH1-CD 3.34Å; R134-E160 IonicContact NH1-OE1 3.54Å; R134-E160 PolarHBondContact NH1-OE1 3.29Å; R134-E160 IonicContact NH1-OE2 3.57Å; R134-E160 IonicContact NH2-OE1 3.62Å; R134-E160 PolarHBondContact NH2-OE1 2.97Å; R134-E160 IonicContact NH2-OE2 2.83Å; R134-E160 PolarHBondContact NH2-OE2 2.93Å; R134-T161 HydrophobicContact CG-CG2 4.06Å; R134-T161 VanDerWaalsContact CG-OG1 3.3Å; R134-T161 WeakPolarHBondContact CG-OG1 3.16Å; R134-N164 PolarHBondContact NH1-ND2 2.85Å; R134-N164 VanDerWaalsContact NH1-ND2 3.15Å
135G98.7Very high97.9Very high0 Ų029.1 Ų29.10%015%0.152CC..EExtended strand (participates in β ladder)trans-96.8147.3169.300000111.8G95 E96 P137G95-G135 WeakPolarHBondContact CA-O 3.39Å; G95-G135 PolarHBondContact N-O 2.84Å; E96-G135 VanDerWaalsContact O-CA 3.26Å; E96-G135 WeakPolarHBondContact O-CA 3.37Å; E96-G135 PolarHBondContact O-N 2.97Å; G135-P137 WeakPolarHBondContact O-CD 3.26Å
136A98.8Very high97.9Very high0 Ų024.3 Ų24.30%012%0.119CC..  trans-119.863.4173.100000110.5V29 I30 I31 P32 W94 F138 L154 L157V29-A136 HydrophobicContact CG1-CB 4.31Å; I30-A136 PolarHBondContact O-N 3.35Å; I31-A136 HydrophobicContact CG1-CB 4.31Å; P32-A136 VanDerWaalsContact CD-O 3.31Å; P32-A136 WeakPolarHBondContact CD-O 3.4Å; W94-A136 HydrophobicContact CH2-CB 4.03Å; W94-A136 HydrophobicContact CZ3-CB 4.1Å; A136-F138 WeakPolarHBondContact O-CD1 3.32Å; A136-L154 HydrophobicContact CB-CD1 4.1Å; A136-L157 HydrophobicContact CB-CD2 4.02Å
137P98.3Very high97.9Very high3 Ų323.9 Ų23.92%0.01912%0.119CC..  trans-59.8146.1174.229-36.4000110.7C37 P92 G93 W94 I100 G135C37-P137 HydrophobicContact CB-CB 3.65Å; P92-P137 VanDerWaalsContact O-CG 3.29Å; P92-P137 WeakPolarHBondContact O-CG 3.4Å; G93-P137 WeakPolarHBondContact O-CD 3.45Å; G93-P137 WeakPolarHBondContact O-CG 3.45Å; W94-P137 WeakPolarHBondContact CZ3-O 3.24Å; I100-P137 HydrophobicContact CG2-CB 4.41Å; G135-P137 WeakPolarHBondContact O-CD 3.26Å
138F98.3Very high97.6Very high7 Ų730.2 Ų30.23%0.03115%0.148CC..  trans-147171.4-176.461.3-81.7000110.2I31 P32 F91 A136 F140 F150 L177 Y181I31-F138 HydrophobicContact CG2-CD1 4.15Å; I31-F138 HydrophobicContact CG2-CE1 3.73Å; P32-F138 HydrophobicContact CG-CD1 4.17Å; P32-F138 HydrophobicContact CG-CE1 3.91Å; P32-F138 VanDerWaalsContact O-CE1 3.24Å; P32-F138 WeakPolarHBondContact O-CE1 3.47Å; F91-F138 WeakPolarHBondContact CD1-O 3.33Å; F91-F138 WeakPolarHBondContact CG-O 3.16Å; A136-F138 WeakPolarHBondContact O-CD1 3.32Å; F138-F140 VanDerWaalsContact C-N 3.26Å; F138-F140 HydrophobicContact CD2-CB 4.29Å; F138-F140 HydrophobicContact CE2-CB 3.82Å; F138-F140 HydrophobicContact CZ-CB 4.19Å; F138-F140 PolarHBondContact O-N 2.79Å; F138-F150 HydrophobicContact CB-CD2 3.86Å; F138-F150 HydrophobicContact CB-CE2 3.77Å; F138-F150 HydrophobicContact CD1-CE2 4.13Å; F138-F150 HydrophobicContact CG-CD2 4.47Å; F138-F150 HydrophobicContact CG-CE2 4.05Å; F138-L177 HydrophobicContact CE2-CD2 4.27Å; F138-L177 HydrophobicContact CZ-CD2 4.41Å; F138-L177 HydrophobicContact CZ-CG 4.44Å; F138-Y181 HydrophobicContact CD2-CD1 4.42Å; F138-Y181 AromaticContact CD2-CE1 3.96Å; F138-Y181 HydrophobicContact CD2-CE1 3.96Å; F138-Y181 HydrophobicContact CD2-CE2 4.04Å; F138-Y181 AromaticContact CD2-CZ 3.74Å; F138-Y181 HydrophobicContact CE2-CD1 4.4Å; F138-Y181 AromaticContact CE2-CD2 3.73Å; F138-Y181 HydrophobicContact CE2-CD2 3.73Å; F138-Y181 HydrophobicContact CE2-CE1 4.08Å; F138-Y181 AromaticContact CE2-CE2 3.34Å; F138-Y181 HydrophobicContact CE2-CE2 3.34Å; F138-Y181 HydrophobicContact CE2-CG 4.24Å; F138-Y181 AromaticContact CE2-CZ 3.54Å; F138-Y181 AromaticContact CZ-CD2 3.85Å; F138-Y181 HydrophobicContact CZ-CD2 3.85Å; F138-Y181 AromaticContact CZ-CE2 3.94Å; F138-Y181 HydrophobicContact CZ-CE2 3.94Å; F138-Y181 HydrophobicContact CZ-CG 4.29Å
139D98.2Very high97.5Very high18 Ų1828.3 Ų28.310%0.09614%0.144CC..  trans-70.986.6172-172.6-6.9000109.8F91 R141 K142 N147F91-D139 HydrophobicContact CD2-CB 3.73Å; F91-D139 VanDerWaalsContact CE2-CA 3.5Å; F91-D139 HydrophobicContact CE2-CB 3.47Å; F91-D139 VanDerWaalsContact CE2-CB 3.47Å; F91-D139 VanDerWaalsContact CE2-OD1 3.27Å; F91-D139 WeakPolarHBondContact CE2-OD1 3.43Å; F91-D139 HydrophobicContact CG-CB 4.5Å; F91-D139 HydrophobicContact CZ-CB 4.01Å; F91-D139 WeakPolarHBondContact CZ-OD1 3.3Å; D139-R141 PolarHBondContact O-N 2.92Å; D139-R141 WeakPolarHBondContact OD1-CB 3.37Å; D139-R141 WeakPolarHBondContact OD1-CG 3.15Å; D139-R141 IonicContact OD1-CZ 2.83Å; D139-R141 PolarHBondContact OD1-N 3.4Å; D139-R141 IonicContact OD1-NE 3.27Å; D139-R141 PolarHBondContact OD1-NE 3.02Å; D139-R141 IonicContact OD1-NH2 2.69Å; D139-R141 IonicContact OD2-CZ 3.11Å; D139-R141 IonicContact OD2-NE 3.12Å; D139-R141 IonicContact OD2-NH2 2.62Å; D139-R141 PolarHBondContact OD2-NH2 2.81Å; D139-K142 HydrophobicContact CB-CD 4.46Å; D139-K142 PolarHBondContact O-N 3.23Å; D139-K142 VanDerWaalsContact O-N 3.13Å; D139-K142 WeakPolarHBondContact OD2-CD 3.32Å; D139-K142 WeakPolarHBondContact OD2-CE 3.39Å; D139-N147 PolarHBondContact O-ND2 2.81Å
140F97.8Very high97.5Very high4 Ų427.3 Ų27.32%0.01814%0.136CC..THydrogen-bonded Turntrans-68.9-9.5-177.760.9-104.3000113.4D34 C37 W54 F70 F91 F138 K142 S243D34-F140 WeakPolarHBondContact OD1-CD2 3.45Å; D34-F140 VanDerWaalsContact OD1-O 3.13Å; C37-F140 WeakPolarHBondContact O-CE1 3.24Å; W54-F140 HydrophobicContact CB-CZ 4.36Å; W54-F140 AromaticContact CD1-CE1 3.9Å; W54-F140 AromaticContact CD1-CZ 3.39Å; W54-F140 HydrophobicContact CD2-CZ 4.26Å; W54-F140 AromaticContact CG-CZ 3.75Å; W54-F140 HydrophobicContact CG-CZ 3.75Å; W54-F140 AromaticContact NE1-CZ 3.67Å; F70-F140 HydrophobicContact CE1-CE2 4.31Å; F70-F140 HydrophobicContact CE2-CE2 4.48Å; F70-F140 HydrophobicContact CE2-CZ 4.2Å; F70-F140 AromaticContact CZ-CE2 3.54Å; F70-F140 HydrophobicContact CZ-CE2 3.54Å; F70-F140 AromaticContact CZ-CZ 3.65Å; F70-F140 HydrophobicContact CZ-CZ 3.65Å; F91-F140 HydrophobicContact CD1-CD1 4Å; F91-F140 AromaticContact CD1-CE1 3.89Å; F91-F140 HydrophobicContact CD1-CE1 3.89Å; F91-F140 AromaticContact CE1-CD1 3.69Å; F91-F140 HydrophobicContact CE1-CD1 3.69Å; F91-F140 AromaticContact CE1-CE1 3.46Å; F91-F140 HydrophobicContact CE1-CE1 3.46Å; F91-F140 VanDerWaalsContact CE1-CE1 3.46Å; F91-F140 HydrophobicContact CE1-CG 4.4Å; F91-F140 HydrophobicContact CE1-CZ 4Å; F138-F140 VanDerWaalsContact C-N 3.26Å; F138-F140 HydrophobicContact CD2-CB 4.29Å; F138-F140 HydrophobicContact CE2-CB 3.82Å; F138-F140 HydrophobicContact CZ-CB 4.19Å; F138-F140 PolarHBondContact O-N 2.79Å; F140-K142 PolarHBondContact O-N 2.89Å; F140-S243 WeakPolarHBondContact O-CB 3.35Å; F140-S243 PolarHBondContact O-OG 3.08Å
141R98.1Very high97.5Very high1 Ų125.2 Ų25.20%0.00413%0.125CC..THydrogen-bonded Turntrans-65.2-26.8171.2-56.8174.7-63.4167.62.7111.3F70 L72 D83 F91 D139 L241 P242 S243F70-R141 HydrophobicContact CE1-CG 3.7Å; F70-R141 HydrophobicContact CE2-CG 4.04Å; F70-R141 HydrophobicContact CZ-CG 3.41Å; F70-R141 VanDerWaalsContact CZ-CG 3.41Å; F70-R141 WeakPolarHBondContact O-CD 3.49Å; F70-R141 PolarHBondContact O-NH1 3.47Å; L72-R141 HydrophobicContact CD1-CB 3.62Å; L72-R141 HydrophobicContact CG-CB 4.26Å; D83-R141 IonicContact OD1-CZ 3.38Å; D83-R141 VanDerWaalsContact OD1-CZ 3.25Å; D83-R141 IonicContact OD1-NH1 2.74Å; D83-R141 PolarHBondContact OD1-NH1 2.85Å; D83-R141 IonicContact OD1-NH2 3.75Å; D83-R141 PolarHBondContact OD1-NH2 2.92Å; F91-R141 HydrophobicContact CZ-CG 4.32Å; D139-R141 PolarHBondContact O-N 2.92Å; D139-R141 WeakPolarHBondContact OD1-CB 3.37Å; D139-R141 WeakPolarHBondContact OD1-CG 3.15Å; D139-R141 IonicContact OD1-CZ 2.83Å; D139-R141 PolarHBondContact OD1-N 3.4Å; D139-R141 IonicContact OD1-NE 3.27Å; D139-R141 PolarHBondContact OD1-NE 3.02Å; D139-R141 IonicContact OD1-NH2 2.69Å; D139-R141 IonicContact OD2-CZ 3.11Å; D139-R141 IonicContact OD2-NE 3.12Å; D139-R141 IonicContact OD2-NH2 2.62Å; D139-R141 PolarHBondContact OD2-NH2 2.81Å; R141-L241 HydrophobicContact CB-CD2 4.39Å; R141-L241 HydrophobicContact CB-CG 3.86Å; R141-L241 HydrophobicContact CG-CD2 4.32Å; R141-L241 HydrophobicContact CG-CG 4.12Å; R141-L241 CarbonylContact O-C 3.59Å; R141-L241 WeakPolarHBondContact O-CA 3.35Å; R141-L241 WeakPolarHBondContact O-CB 3.3Å; R141-P242 WeakPolarHBondContact O-CD 3.45Å; R141-P242 VanDerWaalsContact O-N 3.15Å; R141-S243 WeakPolarHBondContact O-CB 3.03Å; R141-S243 PolarHBondContact O-N 3.3Å; R141-S243 VanDerWaalsContact O-N 3.08Å; R141-S243 PolarHBondContact O-OG 3.27Å
142K97.8Very high97.5Very high38 Ų3823 Ų2317%0.16512%0.123CC..SBendtrans-100154.3-172.8-69.2-178.8175.2-165.90112.5L72 S81 D139 F140 E146 N147 Y181L72-K142 HydrophobicContact CD1-CG 3.91Å; S81-K142 PolarHBondContact O-NZ 3.19Å; D139-K142 HydrophobicContact CB-CD 4.46Å; D139-K142 PolarHBondContact O-N 3.23Å; D139-K142 VanDerWaalsContact O-N 3.13Å; D139-K142 WeakPolarHBondContact OD2-CD 3.32Å; D139-K142 WeakPolarHBondContact OD2-CE 3.39Å; F140-K142 PolarHBondContact O-N 2.89Å; K142-E146 HydrophobicContact CB-CB 4.1Å; K142-E146 HydrophobicContact CD-CB 3.94Å; K142-E146 HydrophobicContact CG-CB 4.24Å; K142-N147 WeakPolarHBondContact CB-ND2 3.4Å; K142-Y181 PolarHBondContact O-OH 3.47Å
143A97.1Very high97.4Very high0 Ų028.2 Ų28.20%015%0.146CC..  trans-82.2161.4166.900000111.1N145 E146 N147 Y181 P242 F246A143-N145 WeakPolarHBondContact CB-OD1 3.42Å; A143-N145 PolarHBondContact O-N 3.36Å; A143-N145 VanDerWaalsContact O-N 3.08Å; A143-E146 PolarHBondContact O-N 2.99Å; A143-N147 PolarHBondContact O-N 3Å; A143-Y181 PolarHBondContact O-OH 3.31Å; A143-P242 HydrophobicContact CB-CB 4.47Å; A143-F246 HydrophobicContact CB-CB 3.93Å; A143-F246 HydrophobicContact CB-CD1 4.45Å; A143-F246 HydrophobicContact CB-CG 4.12Å
144P96.9Very high97.4Very high3 Ų328.2 Ų28.22%0.01915%0.146CC..THydrogen-bonded Turntrans-54.5-29.4-174.5-25.926.3000116.3E146 Y181 Y184 F246 I295P144-E146 PolarHBondContact O-N 3.27Å; P144-Y181 HydrophobicContact CB-CD1 4.32Å; P144-Y181 HydrophobicContact CB-CE1 3.98Å; P144-Y181 HydrophobicContact CG-CD1 4.17Å; P144-Y181 HydrophobicContact CG-CD2 4.02Å; P144-Y181 HydrophobicContact CG-CE1 3.94Å; P144-Y181 HydrophobicContact CG-CE2 3.78Å; P144-Y181 HydrophobicContact CG-CG 4.22Å; P144-Y184 HydrophobicContact CB-CD1 3.54Å; P144-Y184 HydrophobicContact CB-CD2 4.36Å; P144-Y184 HydrophobicContact CB-CE1 3.8Å; P144-Y184 HydrophobicContact CB-CG 3.82Å; P144-F246 HydrophobicContact CG-CE1 4.2Å; P144-F246 HydrophobicContact CG-CZ 4.33Å; P144-I295 HydrophobicContact CB-CD1 3.7Å; P144-I295 HydrophobicContact CG-CD1 3.67Å
145N95.1Very high97.4Very high51 Ų5129.9 Ų29.927%0.27315%0.154SC..THydrogen-bonded Turntrans-65.3-22.3175.957.5-45.5000113.9A143 D291 I295A143-N145 WeakPolarHBondContact CB-OD1 3.42Å; A143-N145 PolarHBondContact O-N 3.36Å; A143-N145 VanDerWaalsContact O-N 3.08Å; N145-D291 PolarHBondContact ND2-O 2.9Å; N145-I295 HydrophobicContact CB-CD1 4.48Å; N145-I295 HydrophobicContact CB-CG2 3.9Å
146E96.5Very high97.4Very high17 Ų1736.8 Ų36.88%0.07918%0.181CC..THydrogen-bonded Turntrans-107.1-7.2-177.4-62-171.976.800113.7S81 K142 A143 P144 E148 P242S81-E146 WeakPolarHBondContact CA-OE1 3.31Å; S81-E146 WeakPolarHBondContact CB-OE1 3.5Å; S81-E146 PolarHBondContact N-OE1 2.89Å; S81-E146 PolarHBondContact OG-OE1 3.01Å; S81-E146 PolarHBondContact OG-OE2 3.35Å; K142-E146 HydrophobicContact CB-CB 4.1Å; K142-E146 HydrophobicContact CD-CB 3.94Å; K142-E146 HydrophobicContact CG-CB 4.24Å; A143-E146 PolarHBondContact O-N 2.99Å; P144-E146 PolarHBondContact O-N 3.27Å; E146-E148 PolarHBondContact O-N 3.28Å; E146-E148 VanDerWaalsContact O-N 3.14Å; E146-P242 WeakPolarHBondContact OE2-CB 3.46Å; E146-P242 WeakPolarHBondContact OE2-CG 3.47Å
147N96.2Very high97.4Very high26 Ų2637 Ų3714%0.13918%0.181CC..SBendtrans-85.764.4171-98.3-67.6000110.2D139 K142 A143 G149 F150 Y181D139-N147 PolarHBondContact O-ND2 2.81Å; K142-N147 WeakPolarHBondContact CB-ND2 3.4Å; A143-N147 PolarHBondContact O-N 3Å; N147-G149 PolarHBondContact O-N 3.13Å; N147-F150 HydrophobicContact CB-CB 4.05Å; N147-F150 WeakPolarHBondContact O-CB 3.34Å; N147-F150 PolarHBondContact O-N 3.14Å; N147-Y181 HydrophobicContact CB-CE1 4.01Å; N147-Y181 PolarHBondContact ND2-OH 2.93Å
148E92.7Very high97.5Very high137 Ų13736.8 Ų36.864%0.6418%0.18SC*.THydrogen-bonded Turntrans-54.1131.8-177.9-66.5-177.1-177.800111.8K80 E146 F150K80-E148 IonicContact NZ-OE1 3.11Å; K80-E148 PolarHBondContact NZ-OE1 3.15Å; E146-E148 PolarHBondContact O-N 3.28Å; E146-E148 VanDerWaalsContact O-N 3.14Å; E148-F150 VanDerWaalsContact C-N 3.25Å; E148-F150 PolarHBondContact O-N 3.06Å
149G95.9Very high97.5Very high36 Ų3639.1 Ų39.137%0.37119%0.191SC..THydrogen-bonded Turntrans75.71.1-178.500000115.5N147 N151 D152 K153N147-G149 PolarHBondContact O-N 3.13Å; G149-N151 PolarHBondContact O-N 3.02Å; G149-D152 PolarHBondContact O-N 3.29Å; G149-K153 WeakPolarHBondContact O-CB 3.37Å; G149-K153 WeakPolarHBondContact O-CG 3.36Å; G149-K153 PolarHBondContact O-N 3.42Å
150F98Very high97.5Very high9 Ų942.6 Ų42.64%0.03921%0.207CC..Hα-helixtrans-56-47.8176.1175.9-90.9000112I31 W94 F138 N147 E148 D152 K153 L154 Y181I31-F150 HydrophobicContact CD1-CZ 4.44Å; I31-F150 HydrophobicContact CG2-CZ 4.17Å; W94-F150 HydrophobicContact CH2-CD2 4.28Å; W94-F150 HydrophobicContact CH2-CE2 4.17Å; W94-F150 HydrophobicContact CZ3-CD2 4.21Å; W94-F150 HydrophobicContact CZ3-CE2 4.11Å; F138-F150 HydrophobicContact CB-CD2 3.86Å; F138-F150 HydrophobicContact CB-CE2 3.77Å; F138-F150 HydrophobicContact CD1-CE2 4.13Å; F138-F150 HydrophobicContact CG-CD2 4.47Å; F138-F150 HydrophobicContact CG-CE2 4.05Å; N147-F150 HydrophobicContact CB-CB 4.05Å; N147-F150 WeakPolarHBondContact O-CB 3.34Å; N147-F150 PolarHBondContact O-N 3.14Å; E148-F150 VanDerWaalsContact C-N 3.25Å; E148-F150 PolarHBondContact O-N 3.06Å; F150-D152 PolarHBondContact O-N 3.39Å; F150-K153 PolarHBondContact O-N 3.25Å; F150-L154 HydrophobicContact CE1-CB 4.39Å; F150-L154 HydrophobicContact CE1-CD2 3.65Å; F150-L154 HydrophobicContact CZ-CD2 3.93Å; F150-L154 VanDerWaalsContact O-CB 3.3Å; F150-L154 WeakPolarHBondContact O-CB 3.46Å; F150-L154 PolarHBondContact O-N 3.13Å; F150-Y181 AromaticContact CD1-CD1 3.82Å; F150-Y181 HydrophobicContact CD1-CD1 3.82Å; F150-Y181 HydrophobicContact CD1-CE1 4.42Å; F150-Y181 HydrophobicContact CD2-CD1 4.36Å; F150-Y181 AromaticContact CE1-CD1 3.64Å; F150-Y181 HydrophobicContact CE1-CD1 3.64Å; F150-Y181 HydrophobicContact CE1-CG 4.36Å; F150-Y181 HydrophobicContact CE2-CD1 4.19Å; F150-Y181 HydrophobicContact CG-CD1 4.19Å; F150-Y181 HydrophobicContact CG-CE1 4.42Å; F150-Y181 AromaticContact CZ-CD1 3.83Å; F150-Y181 HydrophobicContact CZ-CD1 3.83Å; F150-Y181 HydrophobicContact CZ-CG 4.4Å
151N97.9Very high97.6Very high23 Ų2342.4 Ų42.412%0.12321%0.206CC..Hα-helixtrans-62.5-42.3-179.8-70.90.2000112G149 K153 L154 M155 Y184 F185 S188G149-N151 PolarHBondContact O-N 3.02Å; N151-K153 PolarHBondContact O-N 3.19Å; N151-L154 PolarHBondContact O-N 3.2Å; N151-M155 VanDerWaalsContact O-CB 3.31Å; N151-M155 WeakPolarHBondContact O-CB 3.4Å; N151-M155 PolarHBondContact O-N 3.29Å; N151-Y184 WeakPolarHBondContact ND2-CE1 3.37Å; N151-Y184 WeakPolarHBondContact OD1-CD1 3.31Å; N151-F185 HydrophobicContact CB-CD2 3.95Å; N151-F185 WeakPolarHBondContact O-CE2 3.26Å; N151-S188 PolarHBondContact ND2-OG 2.76Å
152D98.1Very high97.6Very high91 Ų9144.2 Ų44.249%0.48721%0.213SC..Hα-helixtrans-68.1-35.2178.4-67.4-18.1000112.7G149 F150 R156G149-D152 PolarHBondContact O-N 3.29Å; F150-D152 PolarHBondContact O-N 3.39Å; D152-R156 PolarHBondContact O-N 2.83Å; D152-R156 PolarHBondContact O-NE 2.7Å; D152-R156 VanDerWaalsContact O-NE 3.08Å
153K98.2Very high97.6Very high113 Ų11347.4 Ų47.449%0.49123%0.229SC..Hα-helixtrans-69.1-44.6173.8-73.1179.9177-179.70110.6W94 G149 F150 N151 R156 L157W94-K153 HydrophobicContact CH2-CB 3.87Å; W94-K153 VanDerWaalsContact CZ2-C 3.41Å; W94-K153 HydrophobicContact CZ2-CB 3.49Å; W94-K153 VanDerWaalsContact CZ2-CB 3.49Å; W94-K153 WeakPolarHBondContact CZ2-O 3.47Å; G149-K153 WeakPolarHBondContact O-CB 3.37Å; G149-K153 WeakPolarHBondContact O-CG 3.36Å; G149-K153 PolarHBondContact O-N 3.42Å; F150-K153 PolarHBondContact O-N 3.25Å; N151-K153 PolarHBondContact O-N 3.19Å; K153-R156 PolarHBondContact O-N 2.63Å; K153-L157 WeakPolarHBondContact O-CB 3.23Å; K153-L157 PolarHBondContact O-N 3.04Å
154L98.8Very high97.7Very high0 Ų048.9 Ų48.90%024%0.236CC..Hα-helixtrans-65.9-40.2179.8-177.758.3000111.7V29 I31 W94 A136 F150 N151 R156 L157 I158 F185V29-L154 HydrophobicContact CG1-CD1 3.88Å; I31-L154 HydrophobicContact CD1-CD2 3.79Å; W94-L154 HydrophobicContact CH2-CB 4.29Å; W94-L154 HydrophobicContact CZ2-CB 4.47Å; A136-L154 HydrophobicContact CB-CD1 4.1Å; F150-L154 HydrophobicContact CE1-CB 4.39Å; F150-L154 HydrophobicContact CE1-CD2 3.65Å; F150-L154 HydrophobicContact CZ-CD2 3.93Å; F150-L154 VanDerWaalsContact O-CB 3.3Å; F150-L154 WeakPolarHBondContact O-CB 3.46Å; F150-L154 PolarHBondContact O-N 3.13Å; N151-L154 PolarHBondContact O-N 3.2Å; L154-R156 PolarHBondContact O-N 2.8Å; L154-L157 HydrophobicContact CD1-CD2 4.42Å; L154-L157 PolarHBondContact O-N 2.68Å; L154-I158 HydrophobicContact CD1-CD1 3.94Å; L154-I158 HydrophobicContact CD1-CG1 4.21Å; L154-I158 HydrophobicContact CG-CD1 3.84Å; L154-I158 WeakPolarHBondContact O-CB 3.29Å; L154-I158 VanDerWaalsContact O-CG1 3.31Å; L154-I158 WeakPolarHBondContact O-CG1 3.42Å; L154-I158 PolarHBondContact O-N 3.3Å; L154-F185 HydrophobicContact CB-CD2 4.23Å; L154-F185 HydrophobicContact CB-CE2 4.23Å; L154-F185 HydrophobicContact CD2-CB 3.82Å; L154-F185 HydrophobicContact CD2-CD1 3.68Å; L154-F185 HydrophobicContact CD2-CD2 3.88Å; L154-F185 HydrophobicContact CD2-CE1 4.21Å; L154-F185 HydrophobicContact CD2-CE2 4.38Å; L154-F185 HydrophobicContact CD2-CG 3.49Å; L154-F185 VanDerWaalsContact CD2-CG 3.49Å; L154-F185 HydrophobicContact CG-CD1 4.23Å; L154-F185 HydrophobicContact CG-CD2 4.19Å; L154-F185 HydrophobicContact CG-CE1 4.27Å; L154-F185 HydrophobicContact CG-CE2 4.21Å; L154-F185 HydrophobicContact CG-CG 4.19Å; L154-F185 HydrophobicContact CG-CZ 4.25Å
155M98.8Very high97.7Very high50 Ų5048.8 Ų48.825%0.24624%0.237CC..Hα-helixtrans-53.7-54.3172.1-179.9-178.970.200110.9N151 L157 I158 E159 F185 M189 W193N151-M155 VanDerWaalsContact O-CB 3.31Å; N151-M155 WeakPolarHBondContact O-CB 3.4Å; N151-M155 PolarHBondContact O-N 3.29Å; M155-L157 VanDerWaalsContact C-N 3.35Å; M155-L157 PolarHBondContact O-N 3.23Å; M155-I158 PolarHBondContact O-N 2.93Å; M155-E159 WeakPolarHBondContact O-CG 3.33Å; M155-E159 PolarHBondContact O-N 3.22Å; M155-F185 HydrophobicContact CB-CE2 4.03Å; M155-F185 HydrophobicContact CB-CZ 4.33Å; M155-M189 HydrophobicContact CB-CE 4.21Å; M155-M189 HydrophobicContact CG-CE 3.65Å; M155-M189 HydrophobicContact SD-CE 3.57Å; M155-M189 VanDerWaalsContact SD-CE 3.57Å; M155-M189 HydrophobicContact SD-SD 4.49Å; M155-W193 HydrophobicContact CB-CZ2 4.32Å; M155-W193 HydrophobicContact CG-CZ2 3.73Å
156R98.7Very high97.8Very high146 Ų14648.7 Ų48.755%0.55125%0.248SC*.Hα-helixtrans-62.6-39.8179.3-75.9-180-80.2-157.7-3.5112.7D152 K153 L154 I158 E159 E160D152-R156 PolarHBondContact O-N 2.83Å; D152-R156 PolarHBondContact O-NE 2.7Å; D152-R156 VanDerWaalsContact O-NE 3.08Å; K153-R156 PolarHBondContact O-N 2.63Å; L154-R156 PolarHBondContact O-N 2.8Å; R156-I158 VanDerWaalsContact C-N 3.33Å; R156-I158 PolarHBondContact O-N 3Å; R156-E159 PolarHBondContact O-N 3.24Å; R156-E160 WeakPolarHBondContact O-CB 3.31Å; R156-E160 PolarHBondContact O-N 3.34Å
157L98.9Very high97.9Very high3 Ų352 Ų522%0.01627%0.266CS..Hα-helixtrans-60.7-43.7175.7-179.864.4000111.2V29 W94 R134 A136 K153 L154 M155 E160 T161V29-L157 HydrophobicContact CG1-CD2 3.92Å; W94-L157 HydrophobicContact CZ2-CB 4.14Å; W94-L157 HydrophobicContact CZ2-CD2 3.98Å; R134-L157 HydrophobicContact CB-CD1 4.16Å; R134-L157 HydrophobicContact CB-CD2 4.45Å; R134-L157 HydrophobicContact CB-CG 4.47Å; R134-L157 HydrophobicContact CG-CD1 4.29Å; A136-L157 HydrophobicContact CB-CD2 4.02Å; K153-L157 WeakPolarHBondContact O-CB 3.23Å; K153-L157 PolarHBondContact O-N 3.04Å; L154-L157 HydrophobicContact CD1-CD2 4.42Å; L154-L157 PolarHBondContact O-N 2.68Å; M155-L157 VanDerWaalsContact C-N 3.35Å; M155-L157 PolarHBondContact O-N 3.23Å; L157-E160 PolarHBondContact O-N 3.22Å; L157-T161 VanDerWaalsContact O-CB 3.3Å; L157-T161 WeakPolarHBondContact O-CB 3.16Å; L157-T161 PolarHBondContact O-N 2.88Å; L157-T161 PolarHBondContact O-OG1 2.59Å
158I98.9Very high97.9Very high0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-66.9-41.9178.6-71164.5000111V29 L154 M155 R156 T161 Y162 V170 L172 F185 W193 I198V29-I158 HydrophobicContact CB-CG1 4.47Å; V29-I158 HydrophobicContact CG2-CG1 4.05Å; L154-I158 HydrophobicContact CD1-CD1 3.94Å; L154-I158 HydrophobicContact CD1-CG1 4.21Å; L154-I158 HydrophobicContact CG-CD1 3.84Å; L154-I158 WeakPolarHBondContact O-CB 3.29Å; L154-I158 VanDerWaalsContact O-CG1 3.31Å; L154-I158 WeakPolarHBondContact O-CG1 3.42Å; L154-I158 PolarHBondContact O-N 3.3Å; M155-I158 PolarHBondContact O-N 2.93Å; R156-I158 VanDerWaalsContact C-N 3.33Å; R156-I158 PolarHBondContact O-N 3Å; I158-T161 PolarHBondContact O-N 2.68Å; I158-Y162 WeakPolarHBondContact O-CB 3.41Å; I158-Y162 PolarHBondContact O-N 2.92Å; I158-V170 HydrophobicContact CG2-CB 4.09Å; I158-V170 HydrophobicContact CG2-CG2 3.93Å; I158-L172 HydrophobicContact CD1-CD1 4.23Å; I158-F185 HydrophobicContact CD1-CD1 4.35Å; I158-F185 HydrophobicContact CD1-CE1 3.44Å; I158-F185 VanDerWaalsContact CD1-CE1 3.44Å; I158-F185 HydrophobicContact CD1-CZ 3.75Å; I158-W193 HydrophobicContact CB-CH2 3.91Å; I158-W193 HydrophobicContact CB-CZ2 4.15Å; I158-W193 HydrophobicContact CD1-CH2 3.9Å; I158-W193 HydrophobicContact CG2-CH2 3.54Å; I158-W193 HydrophobicContact CG2-CZ2 3.92Å; I158-I198 HydrophobicContact CD1-CD1 4.06Å; I158-I198 HydrophobicContact CG2-CD1 4.06Å
159E98.9Very high98.2Very high56 Ų5649.5 Ų49.526%0.26225%0.252SS..Hα-helixtrans-61.2-44.3175.6-70.6171.7170.600111.9M155 R156 Y162 Q163 W193 Y197M155-E159 WeakPolarHBondContact O-CG 3.33Å; M155-E159 PolarHBondContact O-N 3.22Å; R156-E159 PolarHBondContact O-N 3.24Å; E159-Y162 WeakPolarHBondContact O-CB 3.42Å; E159-Y162 PolarHBondContact O-N 2.91Å; E159-Q163 WeakPolarHBondContact O-CG 3.36Å; E159-Q163 PolarHBondContact O-N 3.02Å; E159-W193 HydrophobicContact CG-CZ2 4.22Å; E159-W193 PolarHBondContact OE1-NE1 2.86Å; E159-Y197 HydrophobicContact CB-CE1 4.28Å; E159-Y197 HydrophobicContact CG-CD1 4.18Å; E159-Y197 HydrophobicContact CG-CD2 4.39Å; E159-Y197 HydrophobicContact CG-CE1 3.85Å; E159-Y197 HydrophobicContact CG-CE2 4.05Å; E159-Y197 HydrophobicContact CG-CG 4.44Å
160E98.8Very high98.3Very high90 Ų9047.8 Ų47.842%0.42124%0.235SC..Hα-helixtrans-63.8-42.7174.6-167-16313700111.4R134 R156 L157 Y162 Q163 N164R134-E160 IonicContact CZ-OE1 2.77Å; R134-E160 VanDerWaalsContact CZ-OE1 3.27Å; R134-E160 VanDerWaalsContact NH1-CD 3.34Å; R134-E160 IonicContact NH1-OE1 3.54Å; R134-E160 PolarHBondContact NH1-OE1 3.29Å; R134-E160 IonicContact NH1-OE2 3.57Å; R134-E160 IonicContact NH2-OE1 3.62Å; R134-E160 PolarHBondContact NH2-OE1 2.97Å; R134-E160 IonicContact NH2-OE2 2.83Å; R134-E160 PolarHBondContact NH2-OE2 2.93Å; R156-E160 WeakPolarHBondContact O-CB 3.31Å; R156-E160 PolarHBondContact O-N 3.34Å; L157-E160 PolarHBondContact O-N 3.22Å; E160-Y162 VanDerWaalsContact C-N 3.32Å; E160-Y162 PolarHBondContact O-N 3.49Å; E160-Q163 PolarHBondContact O-N 3.46Å; E160-N164 WeakPolarHBondContact O-CB 3.38Å; E160-N164 PolarHBondContact O-N 3.37Å; E160-N164 PolarHBondContact O-OD1 2.92Å
161T98.8Very high98.3Very high0 Ų047.4 Ų47.40%023%0.233CC..Hα-helixtrans-63.7-38.4178.3-55.50000112P27 V29 R134 L157 I158 N164 G165 V170P27-T161 HydrophobicContact CB-CG2 3.65Å; P27-T161 HydrophobicContact CG-CG2 4.02Å; V29-T161 HydrophobicContact CG2-CG2 3.97Å; R134-T161 HydrophobicContact CG-CG2 4.06Å; R134-T161 VanDerWaalsContact CG-OG1 3.3Å; R134-T161 WeakPolarHBondContact CG-OG1 3.16Å; L157-T161 VanDerWaalsContact O-CB 3.3Å; L157-T161 WeakPolarHBondContact O-CB 3.16Å; L157-T161 PolarHBondContact O-N 2.88Å; L157-T161 PolarHBondContact O-OG1 2.59Å; I158-T161 PolarHBondContact O-N 2.68Å; T161-N164 PolarHBondContact O-N 2.85Å; T161-G165 PolarHBondContact O-N 2.74Å; T161-V170 HydrophobicContact CG2-CG1 4.22Å; T161-V170 HydrophobicContact CG2-CG2 3.98Å
162Y98.7Very high98.4Very high39 Ų3946.3 Ų46.315%0.15323%0.227CC..Hα-helixtrans-59.6-46.7173.6171.1-88.7000111.3I158 E159 E160 G165 G166 N167 R168 T196 Y197I158-Y162 WeakPolarHBondContact O-CB 3.41Å; I158-Y162 PolarHBondContact O-N 2.92Å; E159-Y162 WeakPolarHBondContact O-CB 3.42Å; E159-Y162 PolarHBondContact O-N 2.91Å; E160-Y162 VanDerWaalsContact C-N 3.32Å; E160-Y162 PolarHBondContact O-N 3.49Å; Y162-G165 PolarHBondContact O-N 2.87Å; Y162-G166 PolarHBondContact O-N 3.29Å; Y162-N167 HydrophobicContact CD1-CB 4.44Å; Y162-N167 VanDerWaalsContact CE1-CA 3.45Å; Y162-N167 HydrophobicContact CE1-CB 3.65Å; Y162-N167 WeakPolarHBondContact CE1-OD1 3.39Å; Y162-N167 VanDerWaalsContact CE2-O 3.29Å; Y162-N167 WeakPolarHBondContact CE2-O 3.48Å; Y162-N167 VanDerWaalsContact CZ-C 3.4Å; Y162-N167 VanDerWaalsContact CZ-O 3.27Å; Y162-N167 VanDerWaalsContact O-CA 3.28Å; Y162-N167 WeakPolarHBondContact O-CA 3.35Å; Y162-N167 PolarHBondContact O-N 3.34Å; Y162-N167 PolarHBondContact OH-O 3.36Å; Y162-R168 WeakPolarHBondContact CD2-O 3.37Å; Y162-R168 PolarHBondContact O-N 3.5Å; Y162-T196 WeakPolarHBondContact CE2-O 3.46Å; Y162-Y197 HydrophobicContact CD1-CD1 4.08Å; Y162-Y197 AromaticContact CD1-CE1 3.86Å; Y162-Y197 HydrophobicContact CD1-CE1 3.86Å; Y162-Y197 AromaticContact CD2-CD1 3.92Å; Y162-Y197 HydrophobicContact CD2-CD1 3.92Å; Y162-Y197 HydrophobicContact CD2-CE1 4.46Å; Y162-Y197 HydrophobicContact CE1-CE1 4.29Å; Y162-Y197 AromaticContact CG-CD1 3.69Å; Y162-Y197 HydrophobicContact CG-CD1 3.69Å; Y162-Y197 AromaticContact CG-CE1 3.96Å; Y162-Y197 HydrophobicContact CG-CE1 3.96Å
163Q98.5Very high98.4Very high106 Ų10642 Ų4250%0.49520%0.204SC..Hα-helixtrans-62.8-48176.2-66.6-59.4-37.100111.2E159 E160 G165 G166 N167E159-Q163 WeakPolarHBondContact O-CG 3.36Å; E159-Q163 PolarHBondContact O-N 3.02Å; E160-Q163 PolarHBondContact O-N 3.46Å; Q163-G165 PolarHBondContact O-N 2.91Å; Q163-G166 PolarHBondContact O-N 2.92Å; Q163-N167 PolarHBondContact NE2-OD1 3.32Å; Q163-N167 PolarHBondContact OE1-OD1 3.36Å
164N98Very high98.5Very high30 Ų3036.6 Ų36.616%0.1618%0.18CC..Hα-helixtrans-59.9-33.3178.2-70.4-3.5000113W131 R134 E160 T161 G166W131-N164 HydrophobicContact CD2-CB 4.08Å; W131-N164 HydrophobicContact CG-CB 4.16Å; W131-N164 HydrophobicContact CZ2-CB 4.25Å; W131-N164 WeakPolarHBondContact CZ2-OD1 3.23Å; W131-N164 PolarHBondContact NE1-O 3.44Å; W131-N164 WeakPolarHBondContact O-CB 3.41Å; W131-N164 PolarHBondContact O-ND2 3.19Å; R134-N164 PolarHBondContact NH1-ND2 2.85Å; R134-N164 VanDerWaalsContact NH1-ND2 3.15Å; E160-N164 WeakPolarHBondContact O-CB 3.38Å; E160-N164 PolarHBondContact O-N 3.37Å; E160-N164 PolarHBondContact O-OD1 2.92Å; T161-N164 PolarHBondContact O-N 2.85Å; N164-G166 PolarHBondContact O-N 2.96Å
165G97.7Very high98.4Very high2 Ų236.8 Ų36.82%0.02118%0.181CC..THydrogen-bonded Turntrans-78.13176.100000115.1T161 Y162 Q163 R168T161-G165 PolarHBondContact O-N 2.74Å; Y162-G165 PolarHBondContact O-N 2.87Å; Q163-G165 PolarHBondContact O-N 2.91Å; G165-R168 WeakPolarHBondContact O-CG 3.3Å; G165-R168 PolarHBondContact O-NH1 3.2Å
166G97Very high98.4Very high49 Ų4934.9 Ų34.951%0.50517%0.173SC..THydrogen-bonded Turntrans81.541.5-178.500000113.1Y162 Q163 N164 R168Y162-G166 PolarHBondContact O-N 3.29Å; Q163-G166 PolarHBondContact O-N 2.92Å; N164-G166 PolarHBondContact O-N 2.96Å; G166-R168 VanDerWaalsContact C-N 3.33Å
167N97.7Very high98.4Very high86 Ų8627.9 Ų27.946%0.4615%0.147SC..SBendtrans61.138.4-175.2-62.9-55.1000113.5Y162 Q163Y162-N167 HydrophobicContact CD1-CB 4.44Å; Y162-N167 VanDerWaalsContact CE1-CA 3.45Å; Y162-N167 HydrophobicContact CE1-CB 3.65Å; Y162-N167 WeakPolarHBondContact CE1-OD1 3.39Å; Y162-N167 VanDerWaalsContact CE2-O 3.29Å; Y162-N167 WeakPolarHBondContact CE2-O 3.48Å; Y162-N167 VanDerWaalsContact CZ-C 3.4Å; Y162-N167 VanDerWaalsContact CZ-O 3.27Å; Y162-N167 VanDerWaalsContact O-CA 3.28Å; Y162-N167 WeakPolarHBondContact O-CA 3.35Å; Y162-N167 PolarHBondContact O-N 3.34Å; Y162-N167 PolarHBondContact OH-O 3.36Å; Q163-N167 PolarHBondContact NE2-OD1 3.32Å; Q163-N167 PolarHBondContact OE1-OD1 3.36Å
168R97.4Very high98.4Very high86 Ų8627.8 Ų27.833%0.32515%0.146SC..  trans-106.4135.9177.3-62.1-174.2-172.8114.1-6.8109.8K25 Y26 Y162 G165 G166K25-R168 WeakPolarHBondContact O-CD 3.31Å; Y26-R168 HydrophobicContact CD1-CB 4.4Å; Y162-R168 WeakPolarHBondContact CD2-O 3.37Å; Y162-R168 PolarHBondContact O-N 3.5Å; G165-R168 WeakPolarHBondContact O-CG 3.3Å; G165-R168 PolarHBondContact O-NH1 3.2Å; G166-R168 VanDerWaalsContact C-N 3.33Å
169S97.9Very high98.4Very high25 Ų2527.8 Ų27.818%0.17515%0.146CC..PPolyproline II helixtrans-58.1147.8178.653.90000111.6Y26 K199Y26-S169 WeakPolarHBondContact CD1-O 3.46Å; S169-K199 WeakPolarHBondContact OG-CB 3.49Å
170V98.7Very high98.3Very high0 Ų025.3 Ų25.30%013%0.134CC..EExtended strand (participates in β ladder)trans-95.8135.6-167.9178.90000110.4P27 V29 I158 T161 L172 Y197 K199P27-V170 HydrophobicContact CG-CG2 4.04Å; P27-V170 WeakPolarHBondContact O-CA 3.47Å; V29-V170 HydrophobicContact CB-CG1 4.11Å; V29-V170 HydrophobicContact CG2-CG1 3.64Å; I158-V170 HydrophobicContact CG2-CB 4.09Å; I158-V170 HydrophobicContact CG2-CG2 3.93Å; T161-V170 HydrophobicContact CG2-CG1 4.22Å; T161-V170 HydrophobicContact CG2-CG2 3.98Å; V170-L172 PolarHBondContact O-N 3.43Å; V170-Y197 WeakPolarHBondContact CB-O 3.11Å; V170-Y197 PolarHBondContact N-O 3.44Å; V170-K199 PolarHBondContact O-N 2.75Å
171V98.8Very high98.3Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-78.1116.2164.7177.10000108P27 I28 V29 K199 T200 V202 I387 I390 V391P27-V171 PolarHBondContact O-N 2.83Å; I28-V171 WeakPolarHBondContact CA-O 3.41Å; I28-V171 HydrophobicContact CB-CB 4.4Å; I28-V171 HydrophobicContact CD1-CG1 4.37Å; I28-V171 HydrophobicContact CG1-CB 4.23Å; I28-V171 HydrophobicContact CG1-CG1 4.23Å; I28-V171 WeakPolarHBondContact CG1-O 3.1Å; V29-V171 PolarHBondContact N-O 2.95Å; V171-K199 HydrophobicContact CG2-CB 4.31Å; V171-K199 HydrophobicContact CG2-CG 4.41Å; V171-T200 HydrophobicContact CB-CG2 4.39Å; V171-T200 HydrophobicContact CG1-CG2 4.03Å; V171-T200 HydrophobicContact CG2-CG2 3.95Å; V171-V202 HydrophobicContact CG1-CG2 3.87Å; V171-I387 HydrophobicContact CG1-CD1 4.36Å; V171-I390 HydrophobicContact CG1-CG2 3.92Å; V171-I390 HydrophobicContact CG2-CG2 4.03Å; V171-V391 HydrophobicContact CB-CG1 4.2Å; V171-V391 HydrophobicContact CG1-CG1 4.31Å; V171-V391 HydrophobicContact CG2-CG1 3.99Å
172L98.8Very high98.3Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-93118.7173.6-174.963.7000108.9V29 I31 I158 V170 F185 L186 T200 F201 V202V29-L172 HydrophobicContact CB-CD1 4.02Å; V29-L172 HydrophobicContact CG1-CD1 3.98Å; I31-L172 HydrophobicContact CD1-CD1 3.92Å; I31-L172 HydrophobicContact CD1-CD2 4.38Å; I31-L172 HydrophobicContact CD1-CG 4.34Å; I31-L172 HydrophobicContact CG1-CD1 4.1Å; I158-L172 HydrophobicContact CD1-CD1 4.23Å; V170-L172 PolarHBondContact O-N 3.43Å; L172-F185 HydrophobicContact CD2-CD1 4.06Å; L172-F185 HydrophobicContact CD2-CE1 4.48Å; L172-L186 HydrophobicContact CD2-CD1 4.07Å; L172-L186 HydrophobicContact CD2-CD2 4.1Å; L172-L186 HydrophobicContact CD2-CG 4.05Å; L172-T200 PolarHBondContact N-O 2.88Å; L172-F201 HydrophobicContact CB-CD2 4.14Å; L172-F201 HydrophobicContact CD2-CD2 4.1Å; L172-F201 HydrophobicContact CD2-CE2 4.43Å; L172-F201 HydrophobicContact CG-CD2 4.04Å; L172-F201 HydrophobicContact CG-CE2 4.39Å; L172-F201 CarbonylContact O-C 3.58Å; L172-F201 WeakPolarHBondContact O-CA 3.48Å; L172-F201 VanDerWaalsContact O-CD2 3.28Å; L172-F201 WeakPolarHBondContact O-CD2 3.33Å; L172-V202 PolarHBondContact O-N 2.84Å
173L98.9Very high98.2Very high0 Ų019.2 Ų19.20%011%0.107CC..EExtended strand (participates in β ladder)trans-110.2123.9175.8-175.5143.4000109.8I28 V29 I30 I31 M117 V202 M378 F383 I387I28-L173 HydrophobicContact CD1-CB 4.14Å; I28-L173 HydrophobicContact CD1-CD1 4.4Å; I28-L173 HydrophobicContact CG1-CB 4.42Å; V29-L173 PolarHBondContact O-N 3.23Å; I30-L173 CarbonylContact C-O 3.58Å; I30-L173 WeakPolarHBondContact CA-O 3.42Å; I30-L173 HydrophobicContact CG2-CD2 3.93Å; I31-L173 PolarHBondContact N-O 2.93Å; M117-L173 HydrophobicContact SD-CD1 4.27Å; L173-V202 WeakPolarHBondContact CA-O 3.5Å; L173-V202 HydrophobicContact CB-CB 4.27Å; L173-V202 HydrophobicContact CD1-CB 4.12Å; L173-V202 HydrophobicContact CD1-CG1 3.9Å; L173-V202 HydrophobicContact CG-CB 4.14Å; L173-V202 HydrophobicContact CG-CG1 4.25Å; L173-M378 HydrophobicContact CD2-CE 4.16Å; L173-F383 HydrophobicContact CD1-CE2 4.2Å; L173-F383 HydrophobicContact CD1-CZ 3.71Å; L173-I387 HydrophobicContact CD1-CD1 3.82Å; L173-I387 HydrophobicContact CD1-CG1 4.26Å
174G98.8Very high98.2Very high0 Ų017.3 Ų17.30%010%0.096CC..EExtended strand (participates in β ladder)trans-116.8129.9170.400000110.3A179 V202 L204G174-A179 WeakPolarHBondContact O-CB 3.39Å; G174-V202 PolarHBondContact N-O 2.87Å; G174-L204 PolarHBondContact O-N 3.02Å
175H98.8Very high98.2Very high4 Ų415.9 Ų15.92%0.0199%0.088CC..EExtended strand (participates in β ladder)trans-107.4135.5174.8175.1-114.2000112.1I31 G33 Y113 L177 G178 L204 H374 M378I31-H175 PolarHBondContact O-N 2.89Å; G33-H175 WeakPolarHBondContact CA-O 3.37Å; G33-H175 PolarHBondContact N-O 3.18Å; Y113-H175 AromaticContact CE2-CE1 3.84Å; Y113-H175 AromaticContact CE2-ND1 3.53Å; Y113-H175 AromaticContact CZ-ND1 3.53Å; Y113-H175 PolarHBondContact OH-ND1 2.9Å; H175-L177 PolarHBondContact O-N 2.8Å; H175-G178 VanDerWaalsContact O-CA 3.3Å; H175-G178 WeakPolarHBondContact O-CA 3.48Å; H175-G178 PolarHBondContact O-N 2.77Å; H175-L204 CarbonylContact C-O 3.59Å; H175-L204 WeakPolarHBondContact CA-O 2.78Å; H175-L204 HydrophobicContact CB-CB 4.47Å; H175-L204 HydrophobicContact CB-CD2 4.41Å; H175-L204 PolarHBondContact CD2-O 2.97Å; H175-H374 PolarHBondContact NE2-O 3.2Å; H175-M378 HydrophobicContact CB-CE 3.22Å; H175-M378 VanDerWaalsContact CG-CE 3.44Å
176S98.5Very high98.2Very high10 Ų1015.8 Ų15.87%0.079%0.087CC..THydrogen-bonded Turntrans50.7-124.5176.7-171.50000111.2G178 A179 L204 S205 P207 H374S176-G178 PolarHBondContact O-N 3.28Å; S176-A179 VanDerWaalsContact O-CB 3.27Å; S176-A179 WeakPolarHBondContact O-CB 3.19Å; S176-A179 PolarHBondContact O-N 3.44Å; S176-L204 PolarHBondContact N-O 3.34Å; S176-S205 WeakPolarHBondContact CA-O 3.27Å; S176-P207 VanDerWaalsContact C-CD 3.42Å; S176-P207 WeakPolarHBondContact O-CD 3.5Å; S176-H374 WeakPolarHBondContact CB-NE2 3.2Å; S176-H374 PolarHBondContact OG-CE1 2.96Å; S176-H374 PolarHBondContact OG-NE2 3.39Å
177L98.3Very high98.2Very high0 Ų016.7 Ų16.70%08%0.077CC..Hα-helixtrans-52.2-36.6173.3179.859.7000113D34 F138 H175 A179 K180 Y181 F246 L247D34-L177 HydrophobicContact CB-CB 4.13Å; D34-L177 HydrophobicContact CB-CD2 3.92Å; F138-L177 HydrophobicContact CE2-CD2 4.27Å; F138-L177 HydrophobicContact CZ-CD2 4.41Å; F138-L177 HydrophobicContact CZ-CG 4.44Å; H175-L177 PolarHBondContact O-N 2.8Å; L177-A179 PolarHBondContact O-N 2.98Å; L177-K180 WeakPolarHBondContact O-CA 3.3Å; L177-K180 WeakPolarHBondContact O-CB 3.03Å; L177-K180 PolarHBondContact O-N 2.84Å; L177-Y181 HydrophobicContact CD1-CD2 4.11Å; L177-Y181 HydrophobicContact CD1-CE2 3.97Å; L177-Y181 HydrophobicContact CD2-CE2 4.11Å; L177-Y181 HydrophobicContact CG-CD2 3.91Å; L177-Y181 HydrophobicContact CG-CE2 3.84Å; L177-Y181 PolarHBondContact O-N 2.93Å; L177-Y181 VanDerWaalsContact O-N 3.07Å; L177-F246 HydrophobicContact CD1-CD1 3.81Å; L177-F246 HydrophobicContact CD1-CE1 3.87Å; L177-L247 HydrophobicContact CB-CD1 4.47Å; L177-L247 HydrophobicContact CD1-CD1 4.35Å; L177-L247 HydrophobicContact CD1-CD2 4.07Å; L177-L247 HydrophobicContact CD1-CG 4.27Å
178G98.6Very high98.2Very high0 Ų015.6 Ų15.60%08%0.077CC..Hα-helixtrans-59.7-28.4176.200000113.9P32 H175 S176 Y181 G182P32-G178 WeakPolarHBondContact O-CA 3.44Å; P32-G178 PolarHBondContact O-N 2.9Å; H175-G178 VanDerWaalsContact O-CA 3.3Å; H175-G178 WeakPolarHBondContact O-CA 3.48Å; H175-G178 PolarHBondContact O-N 2.77Å; S176-G178 PolarHBondContact O-N 3.28Å; G178-Y181 PolarHBondContact O-N 3.47Å; G178-G182 PolarHBondContact O-N 3.33Å
179A98.5Very high98.2Very high0 Ų012.8 Ų12.80%07%0.068CC..Hα-helixtrans-66.5-40.2172.100000111.7G174 S176 L177 G182 M183 F201 A206G174-A179 WeakPolarHBondContact O-CB 3.39Å; S176-A179 VanDerWaalsContact O-CB 3.27Å; S176-A179 WeakPolarHBondContact O-CB 3.19Å; S176-A179 PolarHBondContact O-N 3.44Å; L177-A179 PolarHBondContact O-N 2.98Å; A179-G182 PolarHBondContact O-N 3.3Å; A179-M183 WeakPolarHBondContact O-CG 3.2Å; A179-M183 PolarHBondContact O-N 2.93Å; A179-F201 HydrophobicContact CB-CZ 4.37Å; A179-F201 WeakPolarHBondContact O-CZ 3.33Å; A179-A206 HydrophobicContact CB-CB 3.41Å; A179-A206 VanDerWaalsContact CB-CB 3.41Å
180K98Very high98.2Very high5 Ų519.5 Ų19.52%0.0229%0.093CC..Hα-helixtrans-65-40.2173.5-69.6-162178.5-168.70111.7L177 M183 Y184 P207 F246 L247 I296 T298L177-K180 WeakPolarHBondContact O-CA 3.3Å; L177-K180 WeakPolarHBondContact O-CB 3.03Å; L177-K180 PolarHBondContact O-N 2.84Å; K180-M183 PolarHBondContact O-N 2.71Å; K180-Y184 PolarHBondContact O-N 2.8Å; K180-P207 WeakPolarHBondContact CE-O 3.41Å; K180-P207 PolarHBondContact NZ-O 2.61Å; K180-F246 HydrophobicContact CB-CE1 4.02Å; K180-F246 HydrophobicContact CB-CZ 4.32Å; K180-F246 HydrophobicContact CD-CD1 4.31Å; K180-F246 HydrophobicContact CD-CE1 3.41Å; K180-F246 VanDerWaalsContact CD-CE1 3.41Å; K180-F246 HydrophobicContact CD-CZ 3.61Å; K180-F246 HydrophobicContact CG-CE1 4.38Å; K180-L247 HydrophobicContact CD-CD2 4.2Å; K180-I296 HydrophobicContact CB-CD1 3.87Å; K180-I296 HydrophobicContact CD-CD1 4.46Å; K180-I296 HydrophobicContact CG-CD1 4.32Å; K180-I296 WeakPolarHBondContact O-CD1 3.39Å; K180-T298 HydrophobicContact CD-CG2 4.09Å; K180-T298 HydrophobicContact CG-CG2 4.01Å
181Y98.4Very high98.1Very high0 Ų025 Ų250%012%0.118CC..Hα-helixtrans-61.5-43.8172.5-89.6-96.1000112.1F138 K142 A143 P144 N147 F150 L177 G178 M183 Y184 F185F138-Y181 HydrophobicContact CD2-CD1 4.42Å; F138-Y181 AromaticContact CD2-CE1 3.96Å; F138-Y181 HydrophobicContact CD2-CE1 3.96Å; F138-Y181 HydrophobicContact CD2-CE2 4.04Å; F138-Y181 AromaticContact CD2-CZ 3.74Å; F138-Y181 HydrophobicContact CE2-CD1 4.4Å; F138-Y181 AromaticContact CE2-CD2 3.73Å; F138-Y181 HydrophobicContact CE2-CD2 3.73Å; F138-Y181 HydrophobicContact CE2-CE1 4.08Å; F138-Y181 AromaticContact CE2-CE2 3.34Å; F138-Y181 HydrophobicContact CE2-CE2 3.34Å; F138-Y181 HydrophobicContact CE2-CG 4.24Å; F138-Y181 AromaticContact CE2-CZ 3.54Å; F138-Y181 AromaticContact CZ-CD2 3.85Å; F138-Y181 HydrophobicContact CZ-CD2 3.85Å; F138-Y181 AromaticContact CZ-CE2 3.94Å; F138-Y181 HydrophobicContact CZ-CE2 3.94Å; F138-Y181 HydrophobicContact CZ-CG 4.29Å; K142-Y181 PolarHBondContact O-OH 3.47Å; A143-Y181 PolarHBondContact O-OH 3.31Å; P144-Y181 HydrophobicContact CB-CD1 4.32Å; P144-Y181 HydrophobicContact CB-CE1 3.98Å; P144-Y181 HydrophobicContact CG-CD1 4.17Å; P144-Y181 HydrophobicContact CG-CD2 4.02Å; P144-Y181 HydrophobicContact CG-CE1 3.94Å; P144-Y181 HydrophobicContact CG-CE2 3.78Å; P144-Y181 HydrophobicContact CG-CG 4.22Å; N147-Y181 HydrophobicContact CB-CE1 4.01Å; N147-Y181 PolarHBondContact ND2-OH 2.93Å; F150-Y181 AromaticContact CD1-CD1 3.82Å; F150-Y181 HydrophobicContact CD1-CD1 3.82Å; F150-Y181 HydrophobicContact CD1-CE1 4.42Å; F150-Y181 HydrophobicContact CD2-CD1 4.36Å; F150-Y181 AromaticContact CE1-CD1 3.64Å; F150-Y181 HydrophobicContact CE1-CD1 3.64Å; F150-Y181 HydrophobicContact CE1-CG 4.36Å; F150-Y181 HydrophobicContact CE2-CD1 4.19Å; F150-Y181 HydrophobicContact CG-CD1 4.19Å; F150-Y181 HydrophobicContact CG-CE1 4.42Å; F150-Y181 AromaticContact CZ-CD1 3.83Å; F150-Y181 HydrophobicContact CZ-CD1 3.83Å; F150-Y181 HydrophobicContact CZ-CG 4.4Å; L177-Y181 HydrophobicContact CD1-CD2 4.11Å; L177-Y181 HydrophobicContact CD1-CE2 3.97Å; L177-Y181 HydrophobicContact CD2-CE2 4.11Å; L177-Y181 HydrophobicContact CG-CD2 3.91Å; L177-Y181 HydrophobicContact CG-CE2 3.84Å; L177-Y181 PolarHBondContact O-N 2.93Å; L177-Y181 VanDerWaalsContact O-N 3.07Å; G178-Y181 PolarHBondContact O-N 3.47Å; Y181-M183 VanDerWaalsContact C-N 3.33Å; Y181-M183 PolarHBondContact O-N 2.78Å; Y181-Y184 PolarHBondContact O-N 2.98Å; Y181-F185 WeakPolarHBondContact O-CB 3.38Å; Y181-F185 PolarHBondContact O-N 3.23Å
182G98.3Very high98Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-58.1-43.8173.100000112.1G178 A179 F185 L186G178-G182 PolarHBondContact O-N 3.33Å; A179-G182 PolarHBondContact O-N 3.3Å; G182-F185 PolarHBondContact O-N 3.2Å; G182-L186 WeakPolarHBondContact O-CB 3.4Å; G182-L186 WeakPolarHBondContact O-CD1 3.15Å; G182-L186 WeakPolarHBondContact O-CG 3.46Å; G182-L186 PolarHBondContact O-N 2.79Å
183M97.4Very high98Very high0 Ų030.1 Ų30.10%015%0.149CC..Hα-helixtrans-64.4-44.7175.2-70.2178.971.500112.8A179 K180 Y181 F185 L186 K187 F201 L208 I296 T298 P302 W361A179-M183 WeakPolarHBondContact O-CG 3.2Å; A179-M183 PolarHBondContact O-N 2.93Å; K180-M183 PolarHBondContact O-N 2.71Å; Y181-M183 VanDerWaalsContact C-N 3.33Å; Y181-M183 PolarHBondContact O-N 2.78Å; M183-F185 VanDerWaalsContact C-N 3.31Å; M183-F185 PolarHBondContact O-N 3.12Å; M183-L186 PolarHBondContact O-N 2.64Å; M183-K187 WeakPolarHBondContact O-CB 3.21Å; M183-K187 WeakPolarHBondContact O-CG 3.47Å; M183-K187 PolarHBondContact O-N 3.35Å; M183-F201 HydrophobicContact CG-CE1 3.78Å; M183-F201 HydrophobicContact CG-CZ 4.22Å; M183-L208 HydrophobicContact CE-CD2 4.28Å; M183-L208 HydrophobicContact SD-CD2 3.4Å; M183-L208 WeakPolarHBondContact SD-CD2 3.46Å; M183-I296 HydrophobicContact CB-CD1 4.46Å; M183-T298 HydrophobicContact CE-CG2 4.26Å; M183-T298 HydrophobicContact SD-CG2 4.15Å; M183-P302 HydrophobicContact CB-CG 4.44Å; M183-P302 HydrophobicContact CE-CG 4.42Å; M183-P302 HydrophobicContact CG-CG 4.09Å; M183-W361 HydrophobicContact CE-CH2 3.54Å; M183-W361 HydrophobicContact CE-CZ2 3.55Å; M183-W361 HydrophobicContact SD-CH2 3.72Å; M183-W361 HydrophobicContact SD-CZ2 4.22Å
184Y97.6Very high98Very high66 Ų6630.3 Ų30.326%0.25915%0.15SC..Hα-helixtrans-56.5-47.6175.5177.5-116000111.4P144 N151 K180 Y181 S188 I296P144-Y184 HydrophobicContact CB-CD1 3.54Å; P144-Y184 HydrophobicContact CB-CD2 4.36Å; P144-Y184 HydrophobicContact CB-CE1 3.8Å; P144-Y184 HydrophobicContact CB-CG 3.82Å; N151-Y184 WeakPolarHBondContact ND2-CE1 3.37Å; N151-Y184 WeakPolarHBondContact OD1-CD1 3.31Å; K180-Y184 PolarHBondContact O-N 2.8Å; Y181-Y184 PolarHBondContact O-N 2.98Å; Y184-S188 PolarHBondContact O-N 2.83Å; Y184-I296 HydrophobicContact CD2-CG2 3.33Å; Y184-I296 HydrophobicContact CE2-CG2 4.4Å; Y184-I296 HydrophobicContact CG-CG2 3.89Å
185F98.2Very high97.9Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-58-56.6174.9170.8-108.8000111.4N151 L154 M155 I158 L172 Y181 G182 M183 K187 S188 M189 W193N151-F185 HydrophobicContact CB-CD2 3.95Å; N151-F185 WeakPolarHBondContact O-CE2 3.26Å; L154-F185 HydrophobicContact CB-CD2 4.23Å; L154-F185 HydrophobicContact CB-CE2 4.23Å; L154-F185 HydrophobicContact CD2-CB 3.82Å; L154-F185 HydrophobicContact CD2-CD1 3.68Å; L154-F185 HydrophobicContact CD2-CD2 3.88Å; L154-F185 HydrophobicContact CD2-CE1 4.21Å; L154-F185 HydrophobicContact CD2-CE2 4.38Å; L154-F185 HydrophobicContact CD2-CG 3.49Å; L154-F185 VanDerWaalsContact CD2-CG 3.49Å; L154-F185 HydrophobicContact CG-CD1 4.23Å; L154-F185 HydrophobicContact CG-CD2 4.19Å; L154-F185 HydrophobicContact CG-CE1 4.27Å; L154-F185 HydrophobicContact CG-CE2 4.21Å; L154-F185 HydrophobicContact CG-CG 4.19Å; L154-F185 HydrophobicContact CG-CZ 4.25Å; M155-F185 HydrophobicContact CB-CE2 4.03Å; M155-F185 HydrophobicContact CB-CZ 4.33Å; I158-F185 HydrophobicContact CD1-CD1 4.35Å; I158-F185 HydrophobicContact CD1-CE1 3.44Å; I158-F185 VanDerWaalsContact CD1-CE1 3.44Å; I158-F185 HydrophobicContact CD1-CZ 3.75Å; L172-F185 HydrophobicContact CD2-CD1 4.06Å; L172-F185 HydrophobicContact CD2-CE1 4.48Å; Y181-F185 WeakPolarHBondContact O-CB 3.38Å; Y181-F185 PolarHBondContact O-N 3.23Å; G182-F185 PolarHBondContact O-N 3.2Å; M183-F185 VanDerWaalsContact C-N 3.31Å; M183-F185 PolarHBondContact O-N 3.12Å; F185-K187 VanDerWaalsContact C-N 3.28Å; F185-K187 PolarHBondContact O-N 3.03Å; F185-S188 WeakPolarHBondContact O-CA 3.5Å; F185-S188 WeakPolarHBondContact O-CB 3.31Å; F185-S188 PolarHBondContact O-N 2.85Å; F185-S188 PolarHBondContact O-OG 3.15Å; F185-M189 HydrophobicContact CD1-CG 4.5Å; F185-M189 HydrophobicContact CD2-CG 4.14Å; F185-M189 HydrophobicContact CD2-SD 4.29Å; F185-M189 HydrophobicContact CE1-CG 4.07Å; F185-M189 HydrophobicContact CE2-CE 4.35Å; F185-M189 HydrophobicContact CE2-CG 3.69Å; F185-M189 HydrophobicContact CE2-SD 3.62Å; F185-M189 HydrophobicContact CZ-CE 4.28Å; F185-M189 HydrophobicContact CZ-CG 3.65Å; F185-M189 HydrophobicContact CZ-SD 3.99Å; F185-M189 WeakPolarHBondContact O-CG 3.17Å; F185-M189 PolarHBondContact O-N 2.71Å; F185-W193 AromaticContact CE1-CH2 3.87Å; F185-W193 HydrophobicContact CE1-CH2 3.87Å; F185-W193 AromaticContact CE1-CZ3 3.85Å; F185-W193 HydrophobicContact CE1-CZ3 3.85Å; F185-W193 AromaticContact CZ-CH2 3.47Å; F185-W193 HydrophobicContact CZ-CH2 3.47Å; F185-W193 VanDerWaalsContact CZ-CH2 3.47Å; F185-W193 HydrophobicContact CZ-CZ2 4.23Å; F185-W193 AromaticContact CZ-CZ3 3.72Å; F185-W193 HydrophobicContact CZ-CZ3 3.72Å
186L98.1Very high97.9Very high0 Ų037.9 Ų37.90%019%0.193CC..Hα-helixtrans-61.9-33.3-175.8-68.4167.3000113.2L172 G182 M183 S188 M189 I198 F201 P302 I305L172-L186 HydrophobicContact CD2-CD1 4.07Å; L172-L186 HydrophobicContact CD2-CD2 4.1Å; L172-L186 HydrophobicContact CD2-CG 4.05Å; G182-L186 WeakPolarHBondContact O-CB 3.4Å; G182-L186 WeakPolarHBondContact O-CD1 3.15Å; G182-L186 WeakPolarHBondContact O-CG 3.46Å; G182-L186 PolarHBondContact O-N 2.79Å; M183-L186 PolarHBondContact O-N 2.64Å; L186-S188 VanDerWaalsContact C-N 3.29Å; L186-M189 PolarHBondContact O-N 3.24Å; L186-I198 HydrophobicContact CD2-CD1 4.27Å; L186-I198 HydrophobicContact CD2-CG1 4.06Å; L186-I198 HydrophobicContact CD2-CG2 4.48Å; L186-F201 HydrophobicContact CD1-CB 3.79Å; L186-F201 HydrophobicContact CD1-CD1 3.94Å; L186-F201 HydrophobicContact CD1-CD2 3.82Å; L186-F201 HydrophobicContact CD1-CE2 4.42Å; L186-F201 HydrophobicContact CD1-CG 3.57Å; L186-P302 HydrophobicContact CB-CB 4.02Å; L186-P302 HydrophobicContact CB-CG 4.44Å; L186-P302 HydrophobicContact CD1-CG 4.48Å; L186-I305 HydrophobicContact CB-CD1 4.13Å; L186-I305 HydrophobicContact CD1-CD1 3.5Å; L186-I305 VanDerWaalsContact CD1-CD1 3.5Å; L186-I305 HydrophobicContact CD2-CD1 3.7Å; L186-I305 HydrophobicContact CG-CD1 3.94Å
187K96.8Very high97.9Very high68 Ų6839.9 Ų39.930%0.29620%0.2SC..Hα-helixtrans-71.4-21.9174.2-74.8-171.2166.2-159.30113.2M183 F185 D297 E300 P302M183-K187 WeakPolarHBondContact O-CB 3.21Å; M183-K187 WeakPolarHBondContact O-CG 3.47Å; M183-K187 PolarHBondContact O-N 3.35Å; F185-K187 VanDerWaalsContact C-N 3.28Å; F185-K187 PolarHBondContact O-N 3.03Å; K187-D297 PolarHBondContact NZ-O 2.77Å; K187-E300 WeakPolarHBondContact CE-O 3.4Å; K187-E300 PolarHBondContact NZ-O 2.83Å; K187-E300 IonicContact NZ-OE2 2.7Å; K187-P302 HydrophobicContact CG-CB 4.41Å
188S96.4Very high97.9Very high64 Ų6440.5 Ų40.545%0.44820%0.203SC..Hα-helixtrans-86-14.5175.176.30000114.3N151 Y184 F185 L186N151-S188 PolarHBondContact ND2-OG 2.76Å; Y184-S188 PolarHBondContact O-N 2.83Å; F185-S188 WeakPolarHBondContact O-CA 3.5Å; F185-S188 WeakPolarHBondContact O-CB 3.31Å; F185-S188 PolarHBondContact O-N 2.85Å; F185-S188 PolarHBondContact O-OG 3.15Å; L186-S188 VanDerWaalsContact C-N 3.29Å
189M97.7Very high97.8Very high27 Ų2743.5 Ų43.513%0.13322%0.216CC..SBendtrans-90.3142.9-174-64.5-51.4-74.900113.6M155 F185 L186 W193 K194M155-M189 HydrophobicContact CB-CE 4.21Å; M155-M189 HydrophobicContact CG-CE 3.65Å; M155-M189 HydrophobicContact SD-CE 3.57Å; M155-M189 VanDerWaalsContact SD-CE 3.57Å; M155-M189 HydrophobicContact SD-SD 4.49Å; F185-M189 HydrophobicContact CD1-CG 4.5Å; F185-M189 HydrophobicContact CD2-CG 4.14Å; F185-M189 HydrophobicContact CD2-SD 4.29Å; F185-M189 HydrophobicContact CE1-CG 4.07Å; F185-M189 HydrophobicContact CE2-CE 4.35Å; F185-M189 HydrophobicContact CE2-CG 3.69Å; F185-M189 HydrophobicContact CE2-SD 3.62Å; F185-M189 HydrophobicContact CZ-CE 4.28Å; F185-M189 HydrophobicContact CZ-CG 3.65Å; F185-M189 HydrophobicContact CZ-SD 3.99Å; F185-M189 WeakPolarHBondContact O-CG 3.17Å; F185-M189 PolarHBondContact O-N 2.71Å; L186-M189 PolarHBondContact O-N 3.24Å; M189-W193 HydrophobicContact CB-CE3 4.04Å; M189-W193 HydrophobicContact CE-CB 4.22Å; M189-W193 HydrophobicContact CE-CD2 3.16Å; M189-W193 VanDerWaalsContact CE-CE2 3.42Å; M189-W193 HydrophobicContact CE-CE3 3.48Å; M189-W193 VanDerWaalsContact CE-CE3 3.48Å; M189-W193 HydrophobicContact CE-CG 3.48Å; M189-W193 VanDerWaalsContact CE-CG 3.48Å; M189-W193 HydrophobicContact CE-CH2 4.25Å; M189-W193 HydrophobicContact CE-CZ2 3.98Å; M189-W193 HydrophobicContact CE-CZ3 4.01Å; M189-W193 HydrophobicContact CG-CE3 4.01Å; M189-W193 HydrophobicContact CG-CZ3 4.15Å; M189-K194 HydrophobicContact CB-CD 4.3Å; M189-K194 HydrophobicContact CB-CG 3.97Å; M189-K194 WeakPolarHBondContact O-CE 3.48Å
190K97.5Very high97.8Very high165 Ų16543.6 Ų43.672%0.71722%0.216SC*.  trans-64.1146.2173.9-64.9-179.2-177.6176.10111.2S192 W193 K194K190-S192 VanDerWaalsContact C-N 3.34Å; K190-S192 PolarHBondContact O-N 3Å; K190-W193 WeakPolarHBondContact O-CB 3.33Å; K190-W193 PolarHBondContact O-N 3.33Å; K190-W193 VanDerWaalsContact O-N 3.12Å; K190-K194 PolarHBondContact O-N 3.31Å; K190-K194 VanDerWaalsContact O-N 3.1Å
191K97.6Very high97.8Very high117 Ų11743.3 Ų43.351%0.50922%0.215SC..Hα-helixtrans-49.9-49.4174.7175.1172.5-168.8160.20113.3W193 K194 N195 D304K191-W193 VanDerWaalsContact C-N 3.26Å; K191-W193 PolarHBondContact O-N 3.26Å; K191-K194 PolarHBondContact O-N 2.76Å; K191-N195 PolarHBondContact O-N 2.95Å; K191-N195 PolarHBondContact O-OD1 2.97Å; K191-D304 HydrophobicContact CB-CB 4.2Å; K191-D304 HydrophobicContact CD-CB 4.34Å; K191-D304 VanDerWaalsContact CD-OD1 3.3Å; K191-D304 WeakPolarHBondContact CD-OD1 3.5Å; K191-D304 HydrophobicContact CG-CB 3.88Å; K191-D304 IonicContact NZ-OD1 3.54Å
192S97.6Very high97.9Very high81 Ų8143.3 Ų43.357%0.56622%0.215SC*.Hα-helixtrans-59.7-37.5-178.954.10000112.6K190 T196K190-S192 VanDerWaalsContact C-N 3.34Å; K190-S192 PolarHBondContact O-N 3Å; S192-T196 PolarHBondContact O-N 3.18Å; S192-T196 PolarHBondContact O-OG1 2.9Å
193W98.4Very high97.9Very high25 Ų2543.3 Ų43.310%0.09522%0.215CC..Hα-helixtrans-67.7-46.9176.6-172.398.5000111M155 I158 E159 F185 M189 K190 K191 N195 T196 Y197 I198M155-W193 HydrophobicContact CB-CZ2 4.32Å; M155-W193 HydrophobicContact CG-CZ2 3.73Å; I158-W193 HydrophobicContact CB-CH2 3.91Å; I158-W193 HydrophobicContact CB-CZ2 4.15Å; I158-W193 HydrophobicContact CD1-CH2 3.9Å; I158-W193 HydrophobicContact CG2-CH2 3.54Å; I158-W193 HydrophobicContact CG2-CZ2 3.92Å; E159-W193 HydrophobicContact CG-CZ2 4.22Å; E159-W193 PolarHBondContact OE1-NE1 2.86Å; F185-W193 AromaticContact CE1-CH2 3.87Å; F185-W193 HydrophobicContact CE1-CH2 3.87Å; F185-W193 AromaticContact CE1-CZ3 3.85Å; F185-W193 HydrophobicContact CE1-CZ3 3.85Å; F185-W193 AromaticContact CZ-CH2 3.47Å; F185-W193 HydrophobicContact CZ-CH2 3.47Å; F185-W193 VanDerWaalsContact CZ-CH2 3.47Å; F185-W193 HydrophobicContact CZ-CZ2 4.23Å; F185-W193 AromaticContact CZ-CZ3 3.72Å; F185-W193 HydrophobicContact CZ-CZ3 3.72Å; M189-W193 HydrophobicContact CB-CE3 4.04Å; M189-W193 HydrophobicContact CE-CB 4.22Å; M189-W193 HydrophobicContact CE-CD2 3.16Å; M189-W193 VanDerWaalsContact CE-CE2 3.42Å; M189-W193 HydrophobicContact CE-CE3 3.48Å; M189-W193 VanDerWaalsContact CE-CE3 3.48Å; M189-W193 HydrophobicContact CE-CG 3.48Å; M189-W193 VanDerWaalsContact CE-CG 3.48Å; M189-W193 HydrophobicContact CE-CH2 4.25Å; M189-W193 HydrophobicContact CE-CZ2 3.98Å; M189-W193 HydrophobicContact CE-CZ3 4.01Å; M189-W193 HydrophobicContact CG-CE3 4.01Å; M189-W193 HydrophobicContact CG-CZ3 4.15Å; K190-W193 WeakPolarHBondContact O-CB 3.33Å; K190-W193 PolarHBondContact O-N 3.33Å; K190-W193 VanDerWaalsContact O-N 3.12Å; K191-W193 VanDerWaalsContact C-N 3.26Å; K191-W193 PolarHBondContact O-N 3.26Å; W193-N195 VanDerWaalsContact C-N 3.34Å; W193-N195 PolarHBondContact O-N 2.72Å; W193-T196 PolarHBondContact O-N 2.83Å; W193-Y197 AromaticContact CD1-CD2 3.52Å; W193-Y197 AromaticContact CD1-CE2 3.57Å; W193-Y197 AromaticContact CD2-CD2 3.65Å; W193-Y197 HydrophobicContact CD2-CD2 3.65Å; W193-Y197 HydrophobicContact CD2-CE2 4.46Å; W193-Y197 HydrophobicContact CD2-CG 4.4Å; W193-Y197 AromaticContact CE2-CD2 3.38Å; W193-Y197 AromaticContact CE2-CG 3.98Å; W193-Y197 HydrophobicContact CE3-CD2 4.47Å; W193-Y197 AromaticContact CG-CD2 3.72Å; W193-Y197 HydrophobicContact CG-CD2 3.72Å; W193-Y197 HydrophobicContact CG-CE2 4.17Å; W193-Y197 AromaticContact CZ2-CD2 3.98Å; W193-Y197 HydrophobicContact CZ2-CD2 3.98Å; W193-Y197 HydrophobicContact CZ2-CG 4.1Å; W193-Y197 AromaticContact NE1-CD2 3.31Å; W193-Y197 VanDerWaalsContact NE1-CD2 3.31Å; W193-Y197 AromaticContact NE1-CE2 3.46Å; W193-Y197 VanDerWaalsContact O-CD2 3.31Å; W193-Y197 WeakPolarHBondContact O-CD2 3.06Å; W193-Y197 PolarHBondContact O-N 3.38Å; W193-I198 HydrophobicContact CE3-CG1 4.4Å; W193-I198 HydrophobicContact CH2-CD1 4.1Å; W193-I198 HydrophobicContact CH2-CG1 4.37Å; W193-I198 HydrophobicContact CZ3-CD1 3.83Å; W193-I198 HydrophobicContact CZ3-CG1 3.65Å
194K98.3Very high97.9Very high4 Ų443.3 Ų43.32%0.01722%0.215CC..Hα-helixtrans-59.1-44.7178-71.3-178.7-69.7-173.90111.8M189 K190 K191 T196 Y197 I198 S303 D304 I305M189-K194 HydrophobicContact CB-CD 4.3Å; M189-K194 HydrophobicContact CB-CG 3.97Å; M189-K194 WeakPolarHBondContact O-CE 3.48Å; K190-K194 PolarHBondContact O-N 3.31Å; K190-K194 VanDerWaalsContact O-N 3.1Å; K191-K194 PolarHBondContact O-N 2.76Å; K194-T196 VanDerWaalsContact C-N 3.26Å; K194-T196 PolarHBondContact O-N 2.98Å; K194-Y197 PolarHBondContact O-N 3.41Å; K194-I198 WeakPolarHBondContact O-CB 3.4Å; K194-I198 PolarHBondContact O-N 2.74Å; K194-S303 PolarHBondContact NZ-O 2.84Å; K194-S303 PolarHBondContact NZ-OG 3.32Å; K194-D304 IonicContact NZ-OD2 2.71Å; K194-D304 PolarHBondContact NZ-OD2 3.06Å; K194-I305 HydrophobicContact CD-CG1 4.2Å
195N97.1Very high98Very high97 Ų9740.2 Ų40.252%0.51920%0.203SC..Hα-helixtrans-60.9-32179-73.411.7000113.4K191 W193K191-N195 PolarHBondContact O-N 2.95Å; K191-N195 PolarHBondContact O-OD1 2.97Å; W193-N195 VanDerWaalsContact C-N 3.34Å; W193-N195 PolarHBondContact O-N 2.72Å
196T97.7Very high98Very high67 Ų6740.4 Ų40.441%0.41121%0.205SC..Hα-helixtrans-81.4-47.8177.9-59.40000111.6Y162 S192 W193 K194Y162-T196 WeakPolarHBondContact CE2-O 3.46Å; S192-T196 PolarHBondContact O-N 3.18Å; S192-T196 PolarHBondContact O-OG1 2.9Å; W193-T196 PolarHBondContact O-N 2.83Å; K194-T196 VanDerWaalsContact C-N 3.26Å; K194-T196 PolarHBondContact O-N 2.98Å
197Y98.5Very high98Very high51 Ų5140.5 Ų40.520%0.221%0.205CC..Hα-helixtrans-102.9-19.2-162.7-65.9-68.9000114.9E159 Y162 V170 W193 K194E159-Y197 HydrophobicContact CB-CE1 4.28Å; E159-Y197 HydrophobicContact CG-CD1 4.18Å; E159-Y197 HydrophobicContact CG-CD2 4.39Å; E159-Y197 HydrophobicContact CG-CE1 3.85Å; E159-Y197 HydrophobicContact CG-CE2 4.05Å; E159-Y197 HydrophobicContact CG-CG 4.44Å; Y162-Y197 HydrophobicContact CD1-CD1 4.08Å; Y162-Y197 AromaticContact CD1-CE1 3.86Å; Y162-Y197 HydrophobicContact CD1-CE1 3.86Å; Y162-Y197 AromaticContact CD2-CD1 3.92Å; Y162-Y197 HydrophobicContact CD2-CD1 3.92Å; Y162-Y197 HydrophobicContact CD2-CE1 4.46Å; Y162-Y197 HydrophobicContact CE1-CE1 4.29Å; Y162-Y197 AromaticContact CG-CD1 3.69Å; Y162-Y197 HydrophobicContact CG-CD1 3.69Å; Y162-Y197 AromaticContact CG-CE1 3.96Å; Y162-Y197 HydrophobicContact CG-CE1 3.96Å; V170-Y197 WeakPolarHBondContact CB-O 3.11Å; V170-Y197 PolarHBondContact N-O 3.44Å; W193-Y197 AromaticContact CD1-CD2 3.52Å; W193-Y197 AromaticContact CD1-CE2 3.57Å; W193-Y197 AromaticContact CD2-CD2 3.65Å; W193-Y197 HydrophobicContact CD2-CD2 3.65Å; W193-Y197 HydrophobicContact CD2-CE2 4.46Å; W193-Y197 HydrophobicContact CD2-CG 4.4Å; W193-Y197 AromaticContact CE2-CD2 3.38Å; W193-Y197 AromaticContact CE2-CG 3.98Å; W193-Y197 HydrophobicContact CE3-CD2 4.47Å; W193-Y197 AromaticContact CG-CD2 3.72Å; W193-Y197 HydrophobicContact CG-CD2 3.72Å; W193-Y197 HydrophobicContact CG-CE2 4.17Å; W193-Y197 AromaticContact CZ2-CD2 3.98Å; W193-Y197 HydrophobicContact CZ2-CD2 3.98Å; W193-Y197 HydrophobicContact CZ2-CG 4.1Å; W193-Y197 AromaticContact NE1-CD2 3.31Å; W193-Y197 VanDerWaalsContact NE1-CD2 3.31Å; W193-Y197 AromaticContact NE1-CE2 3.46Å; W193-Y197 VanDerWaalsContact O-CD2 3.31Å; W193-Y197 WeakPolarHBondContact O-CD2 3.06Å; W193-Y197 PolarHBondContact O-N 3.38Å; K194-Y197 PolarHBondContact O-N 3.41Å
198I98.5Very high98Very high14 Ų1437.2 Ų37.27%0.07219%0.191CC..EExtended strand (participates in β ladder)trans-109.9118.3-175.5-57.5-62.2000110.1I158 L186 W193 K194 I305I158-I198 HydrophobicContact CD1-CD1 4.06Å; I158-I198 HydrophobicContact CG2-CD1 4.06Å; L186-I198 HydrophobicContact CD2-CD1 4.27Å; L186-I198 HydrophobicContact CD2-CG1 4.06Å; L186-I198 HydrophobicContact CD2-CG2 4.48Å; W193-I198 HydrophobicContact CE3-CG1 4.4Å; W193-I198 HydrophobicContact CH2-CD1 4.1Å; W193-I198 HydrophobicContact CH2-CG1 4.37Å; W193-I198 HydrophobicContact CZ3-CD1 3.83Å; W193-I198 HydrophobicContact CZ3-CG1 3.65Å; K194-I198 WeakPolarHBondContact O-CB 3.4Å; K194-I198 PolarHBondContact O-N 2.74Å; I198-I305 HydrophobicContact CG2-CD1 4.49Å
199K97.9Very high98.1Very high62 Ų6234.2 Ų34.227%0.2717%0.17SC..EExtended strand (participates in β ladder)trans-75.3-45.117317760.7-170.690.20111.4Y26 S169 V170 V171 E307Y26-K199 HydrophobicContact CD1-CB 4.24Å; Y26-K199 HydrophobicContact CD1-CD 4Å; Y26-K199 HydrophobicContact CD1-CG 3.94Å; Y26-K199 HydrophobicContact CD2-CD 4.31Å; Y26-K199 HydrophobicContact CD2-CG 3.98Å; Y26-K199 HydrophobicContact CE1-CD 3.64Å; Y26-K199 HydrophobicContact CE1-CG 4.11Å; Y26-K199 HydrophobicContact CE2-CD 3.94Å; Y26-K199 HydrophobicContact CE2-CG 4.1Å; Y26-K199 HydrophobicContact CG-CB 4.36Å; Y26-K199 HydrophobicContact CG-CD 4.33Å; Y26-K199 HydrophobicContact CG-CG 3.88Å; Y26-K199 VanDerWaalsContact CZ-CE 3.45Å; Y26-K199 WeakPolarHBondContact OH-CE 3.46Å; S169-K199 WeakPolarHBondContact OG-CB 3.49Å; V170-K199 PolarHBondContact O-N 2.75Å; V171-K199 HydrophobicContact CG2-CB 4.31Å; V171-K199 HydrophobicContact CG2-CG 4.41Å; K199-E307 IonicContact NZ-OE2 2.72Å
200T98.1Very high98.1Very high2 Ų232.9 Ų32.91%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-169.8162.6-176.3-178.40000109.5V171 L172 E307 Y309 I390V171-T200 HydrophobicContact CB-CG2 4.39Å; V171-T200 HydrophobicContact CG1-CG2 4.03Å; V171-T200 HydrophobicContact CG2-CG2 3.95Å; L172-T200 PolarHBondContact N-O 2.88Å; T200-E307 PolarHBondContact OG1-O 3.22Å; T200-Y309 HydrophobicContact CG2-CD2 4.43Å; T200-Y309 HydrophobicContact CG2-CE2 4.32Å; T200-Y309 VanDerWaalsContact OG1-CD2 3.27Å; T200-Y309 WeakPolarHBondContact OG1-CD2 3.3Å; T200-Y309 WeakPolarHBondContact OG1-CE2 3.32Å; T200-I390 HydrophobicContact CG2-CG2 3.75Å
201F98.5Very high98.1Very high0 Ų025.4 Ų25.40%013%0.132CC..EExtended strand (participates in β ladder)trans-112.6128.8170.2177-126.5000110.5L172 A179 M183 L186 I305 I308 Y309L172-F201 HydrophobicContact CB-CD2 4.14Å; L172-F201 HydrophobicContact CD2-CD2 4.1Å; L172-F201 HydrophobicContact CD2-CE2 4.43Å; L172-F201 HydrophobicContact CG-CD2 4.04Å; L172-F201 HydrophobicContact CG-CE2 4.39Å; L172-F201 CarbonylContact O-C 3.58Å; L172-F201 WeakPolarHBondContact O-CA 3.48Å; L172-F201 VanDerWaalsContact O-CD2 3.28Å; L172-F201 WeakPolarHBondContact O-CD2 3.33Å; A179-F201 HydrophobicContact CB-CZ 4.37Å; A179-F201 WeakPolarHBondContact O-CZ 3.33Å; M183-F201 HydrophobicContact CG-CE1 3.78Å; M183-F201 HydrophobicContact CG-CZ 4.22Å; L186-F201 HydrophobicContact CD1-CB 3.79Å; L186-F201 HydrophobicContact CD1-CD1 3.94Å; L186-F201 HydrophobicContact CD1-CD2 3.82Å; L186-F201 HydrophobicContact CD1-CE2 4.42Å; L186-F201 HydrophobicContact CD1-CG 3.57Å; F201-I305 HydrophobicContact CB-CD1 4.37Å; F201-I308 HydrophobicContact CB-CG1 4.29Å; F201-I308 HydrophobicContact CB-CG2 4.39Å; F201-I308 HydrophobicContact CD1-CD1 4.43Å; F201-I308 HydrophobicContact CD1-CG2 3.85Å; F201-I308 CarbonylContact O-C 3.44Å; F201-I308 WeakPolarHBondContact O-CA 3.28Å; F201-I308 WeakPolarHBondContact O-CG2 3.13Å; F201-Y309 PolarHBondContact O-N 3.41Å
202V98.7Very high98.1Very high0 Ų019.9 Ų19.90%011%0.108CC..EExtended strand (participates in β ladder)trans-106.3106.8174.2-175.10000108.7V171 L172 L173 G174 I311 I387 I390V171-V202 HydrophobicContact CG1-CG2 3.87Å; L172-V202 PolarHBondContact O-N 2.84Å; L173-V202 WeakPolarHBondContact CA-O 3.5Å; L173-V202 HydrophobicContact CB-CB 4.27Å; L173-V202 HydrophobicContact CD1-CB 4.12Å; L173-V202 HydrophobicContact CD1-CG1 3.9Å; L173-V202 HydrophobicContact CG-CB 4.14Å; L173-V202 HydrophobicContact CG-CG1 4.25Å; G174-V202 PolarHBondContact N-O 2.87Å; V202-I311 HydrophobicContact CG1-CD1 3.79Å; V202-I311 HydrophobicContact CG1-CG1 4.47Å; V202-I387 HydrophobicContact CG2-CD1 4.14Å; V202-I390 HydrophobicContact CG2-CD1 3.93Å; V202-I390 HydrophobicContact CG2-CG2 4.23Å
203S98.4Very high98Very high0 Ų018.5 Ų18.50%09%0.092CC..EExtended strand (participates in β ladder)trans-91.598.9174.3172.70000109.1A206 Y309 I311S203-A206 WeakPolarHBondContact OG-CB 3.37Å; S203-Y309 PolarHBondContact N-O 3.5Å; S203-I311 PolarHBondContact O-N 3.01Å
204L98.7Very high97.9Very high0 Ų017.6 Ų17.60%09%0.089CC..EExtended strand (participates in β ladder)trans-99.3122-177.9-173.267.8000111.1G174 H175 S176 A206 I311 I377 M378 F383G174-L204 PolarHBondContact O-N 3.02Å; H175-L204 CarbonylContact C-O 3.59Å; H175-L204 WeakPolarHBondContact CA-O 2.78Å; H175-L204 HydrophobicContact CB-CB 4.47Å; H175-L204 HydrophobicContact CB-CD2 4.41Å; H175-L204 PolarHBondContact CD2-O 2.97Å; S176-L204 PolarHBondContact N-O 3.34Å; L204-A206 PolarHBondContact O-N 3.28Å; L204-A206 VanDerWaalsContact O-N 3.1Å; L204-I311 CarbonylContact C-O 3.54Å; L204-I311 WeakPolarHBondContact CA-O 3.48Å; L204-I311 HydrophobicContact CD1-CB 3.81Å; L204-I311 HydrophobicContact CD1-CG2 3.79Å; L204-I377 HydrophobicContact CD1-CD1 3.71Å; L204-I377 HydrophobicContact CD1-CG1 4.06Å; L204-I377 HydrophobicContact CD1-CG2 4.3Å; L204-I377 HydrophobicContact CD2-CG2 4.09Å; L204-I377 HydrophobicContact CG-CG2 4.11Å; L204-M378 HydrophobicContact CD2-CE 3.87Å; L204-M378 HydrophobicContact CD2-CG 4.43Å; L204-M378 HydrophobicContact CD2-SD 3.72Å; L204-F383 HydrophobicContact CD1-CD2 3.63Å; L204-F383 HydrophobicContact CD1-CE2 3.65Å; L204-F383 HydrophobicContact CD1-CG 4.22Å; L204-F383 HydrophobicContact CD1-CZ 4.24Å; L204-F383 HydrophobicContact CD2-CD1 4.37Å; L204-F383 HydrophobicContact CD2-CD2 4.39Å; L204-F383 HydrophobicContact CD2-CE1 3.82Å; L204-F383 HydrophobicContact CD2-CE2 3.86Å; L204-F383 HydrophobicContact CD2-CZ 3.56Å; L204-F383 HydrophobicContact CG-CE2 4.31Å; L204-F383 HydrophobicContact CG-CZ 4.48Å
205S98.6Very high97.8Very high0 Ų017.4 Ų17.40%09%0.089CC..SBendtrans47.739.1178.9-60.60000113.7S176 P207 I311 H374S176-S205 WeakPolarHBondContact CA-O 3.27Å; S205-P207 WeakPolarHBondContact O-CD 3.37Å; S205-I311 PolarHBondContact N-O 2.89Å; S205-H374 PolarHBondContact O-CE1 2.84Å; S205-H374 VanDerWaalsContact O-CE1 3.31Å
206A98.5Very high97.8Very high4 Ų413.4 Ų13.43%0.0337%0.066CC..  trans-71.8124-173.400000111.5A179 S203 L204 L208A179-A206 HydrophobicContact CB-CB 3.41Å; A179-A206 VanDerWaalsContact CB-CB 3.41Å; S203-A206 WeakPolarHBondContact OG-CB 3.37Å; L204-A206 PolarHBondContact O-N 3.28Å; L204-A206 VanDerWaalsContact O-N 3.1Å; A206-L208 HydrophobicContact CB-CD2 3.88Å; A206-L208 HydrophobicContact CB-CG 3.83Å; A206-L208 PolarHBondContact O-N 2.72Å
207P98.2Very high97.7Very high2 Ų210.8 Ų10.81%0.0135%0.05CC..  trans-75.958.3172.932.8-35.7000110.7S176 K180 S205 G209 G210 L247 V350S176-P207 VanDerWaalsContact C-CD 3.42Å; S176-P207 WeakPolarHBondContact O-CD 3.5Å; K180-P207 WeakPolarHBondContact CE-O 3.41Å; K180-P207 PolarHBondContact NZ-O 2.61Å; S205-P207 WeakPolarHBondContact O-CD 3.37Å; P207-G209 PolarHBondContact O-N 3.17Å; P207-G210 WeakPolarHBondContact O-CA 3.37Å; P207-G210 PolarHBondContact O-N 2.56Å; P207-L247 HydrophobicContact CB-CD2 4.16Å; P207-L247 HydrophobicContact CG-CD2 3.49Å; P207-L247 VanDerWaalsContact CG-CD2 3.49Å; P207-V350 HydrophobicContact CB-CG1 3.93Å; P207-V350 HydrophobicContact CB-CG2 3.83Å
208L97.9Very high97.7Very high0 Ų08.4 Ų8.40%04%0.041CC..THydrogen-bonded Turntrans-54.1-42.2-173.9-63.6171.7000111.1M183 A206 T298 V357 C358 W361M183-L208 HydrophobicContact CE-CD2 4.28Å; M183-L208 HydrophobicContact SD-CD2 3.4Å; M183-L208 WeakPolarHBondContact SD-CD2 3.46Å; A206-L208 HydrophobicContact CB-CD2 3.88Å; A206-L208 HydrophobicContact CB-CG 3.83Å; A206-L208 PolarHBondContact O-N 2.72Å; L208-T298 HydrophobicContact CD2-CG2 4.41Å; L208-T298 VanDerWaalsContact O-CB 3.29Å; L208-T298 WeakPolarHBondContact O-CB 3.47Å; L208-T298 PolarHBondContact O-OG1 2.83Å; L208-V357 HydrophobicContact CB-CB 3.75Å; L208-V357 HydrophobicContact CB-CG1 3.97Å; L208-V357 HydrophobicContact CB-CG2 4.12Å; L208-V357 HydrophobicContact CD1-CB 3.87Å; L208-V357 HydrophobicContact CD1-CG1 4.14Å; L208-V357 HydrophobicContact CG-CB 4.46Å; L208-C358 HydrophobicContact CD1-CB 3.65Å; L208-W361 HydrophobicContact CD1-CH2 3.79Å; L208-W361 HydrophobicContact CD1-CZ2 3.86Å; L208-W361 HydrophobicContact CD2-CH2 3.78Å; L208-W361 HydrophobicContact CD2-CZ2 4.02Å; L208-W361 HydrophobicContact CG-CH2 4.47Å
209G97.4Very high97.6Very high0 Ų07.7 Ų7.70%04%0.037CC..THydrogen-bonded Turntrans-86.62.8173.400000116P207 P249 D250 W254 S354P207-G209 PolarHBondContact O-N 3.17Å; G209-P249 CarbonylContact O-C 3.55Å; G209-P249 WeakPolarHBondContact O-CA 3.17Å; G209-D250 PolarHBondContact O-N 2.7Å; G209-W254 WeakPolarHBondContact O-CH2 3.34Å; G209-W254 WeakPolarHBondContact O-CZ3 3.38Å; G209-S354 VanDerWaalsContact CA-OG 3.23Å; G209-S354 WeakPolarHBondContact CA-OG 3.4Å; G209-S354 PolarHBondContact N-OG 3.1Å
210G97.5Very high97.5Very high0 Ų04.8 Ų4.80%03%0.025CC..  trans81.3-174.6-168.600000113.7P207 L247 L248 S354P207-G210 WeakPolarHBondContact O-CA 3.37Å; P207-G210 PolarHBondContact O-N 2.56Å; G210-L247 CarbonylContact C-O 3.51Å; G210-L247 WeakPolarHBondContact CA-O 3.45Å; G210-L248 WeakPolarHBondContact CA-O 3.42Å; G210-S354 PolarHBondContact N-OG 3.4Å; G210-S354 WeakPolarHBondContact O-CB 3.39Å; G210-S354 PolarHBondContact O-OG 2.62Å
211S97.2Very high97.4Very high7 Ų74.7 Ų4.75%0.0492%0.024CC..  trans-139.5138.7-179.5171.80000111.8K213 A214 L247 P249 T349S211-K213 PolarHBondContact O-N 3.48Å; S211-K213 WeakPolarHBondContact OG-CB 3.24Å; S211-K213 PolarHBondContact OG-N 2.71Å; S211-A214 WeakPolarHBondContact O-CB 3.25Å; S211-A214 PolarHBondContact O-N 2.98Å; S211-A214 VanDerWaalsContact O-N 3.09Å; S211-L247 PolarHBondContact N-O 3.29Å; S211-P249 WeakPolarHBondContact O-CD 3.32Å; S211-T349 PolarHBondContact OG-O 3.5Å
212V97.4Very high97.1Very high1 Ų15.3 Ų5.31%0.0063%0.027CC..Hα-helixtrans-63.5-24.9172-178.40000111.3A214 L215 K216 P249 L260 T319 M322V212-A214 VanDerWaalsContact C-N 3.29Å; V212-A214 PolarHBondContact O-N 2.72Å; V212-L215 WeakPolarHBondContact O-CB 3.31Å; V212-L215 PolarHBondContact O-N 3.32Å; V212-L215 VanDerWaalsContact O-N 3.09Å; V212-K216 PolarHBondContact O-N 2.83Å; V212-P249 HydrophobicContact CG2-CG 4.15Å; V212-L260 HydrophobicContact CG2-CD2 3.86Å; V212-T319 WeakPolarHBondContact CB-O 3.46Å; V212-T319 HydrophobicContact CG1-CG2 3.95Å; V212-M322 HydrophobicContact CG1-CE 3.96Å
213K96Very high96.3Very high53 Ų536 Ų623%0.233%0.031CC..Hα-helixtrans-63.2-33.8173-172.5173.7176.6179.40112.1S211 L215 K216 I217 T349S211-K213 PolarHBondContact O-N 3.48Å; S211-K213 WeakPolarHBondContact OG-CB 3.24Å; S211-K213 PolarHBondContact OG-N 2.71Å; K213-L215 VanDerWaalsContact C-N 3.27Å; K213-L215 PolarHBondContact O-N 3.35Å; K213-K216 WeakPolarHBondContact O-CB 3.45Å; K213-K216 PolarHBondContact O-N 3.29Å; K213-I217 HydrophobicContact CG-CD1 4.49Å; K213-I217 WeakPolarHBondContact O-CG1 3.21Å; K213-I217 PolarHBondContact O-N 3.34Å; K213-T349 HydrophobicContact CD-CG2 4.03Å; K213-T349 PolarHBondContact NZ-OG1 3.33Å
214A97.2Very high95.2Very high5 Ų59.5 Ų9.54%0.0415%0.046CC..Hα-helixtrans-61-40.4172.700000110.9S211 V212 K216 I217 E218 L247 L248S211-A214 WeakPolarHBondContact O-CB 3.25Å; S211-A214 PolarHBondContact O-N 2.98Å; S211-A214 VanDerWaalsContact O-N 3.09Å; V212-A214 VanDerWaalsContact C-N 3.29Å; V212-A214 PolarHBondContact O-N 2.72Å; A214-K216 VanDerWaalsContact C-N 3.35Å; A214-K216 PolarHBondContact O-N 2.95Å; A214-I217 WeakPolarHBondContact O-CB 3.48Å; A214-I217 PolarHBondContact O-N 2.9Å; A214-I217 VanDerWaalsContact O-N 3.16Å; A214-E218 PolarHBondContact O-N 3.44Å; A214-L247 HydrophobicContact CB-CB 4.02Å; A214-L248 HydrophobicContact CB-CD2 4.03Å
215L96.3Very high93.9Very high1 Ų111.8 Ų11.81%0.0057%0.07CC..Hα-helixtrans-65.8-36.5176.1-169.165.2000112.3V212 K213 I217 E218 A219 L248 L260 I261 Y273 F276 M322V212-L215 WeakPolarHBondContact O-CB 3.31Å; V212-L215 PolarHBondContact O-N 3.32Å; V212-L215 VanDerWaalsContact O-N 3.09Å; K213-L215 VanDerWaalsContact C-N 3.27Å; K213-L215 PolarHBondContact O-N 3.35Å; L215-I217 VanDerWaalsContact C-N 3.32Å; L215-I217 PolarHBondContact O-N 3.5Å; L215-E218 PolarHBondContact O-N 3.43Å; L215-A219 PolarHBondContact O-N 3.25Å; L215-L248 HydrophobicContact CB-CD2 3.83Å; L215-L248 HydrophobicContact CD1-CD2 3.84Å; L215-L248 HydrophobicContact CG-CD2 4.46Å; L215-L260 HydrophobicContact CD2-CB 3.85Å; L215-L260 HydrophobicContact CD2-CD1 4.14Å; L215-I261 HydrophobicContact CD1-CD1 4.17Å; L215-I261 HydrophobicContact CD2-CD1 3.63Å; L215-I261 HydrophobicContact CD2-CG1 3.79Å; L215-I261 HydrophobicContact CG-CD1 3.65Å; L215-I261 HydrophobicContact CG-CG1 4.25Å; L215-Y273 HydrophobicContact CD1-CD1 4.36Å; L215-Y273 HydrophobicContact CD1-CE1 4Å; L215-F276 HydrophobicContact CD1-CD1 3.87Å; L215-F276 HydrophobicContact CD1-CD2 4.38Å; L215-F276 HydrophobicContact CD1-CE1 3.5Å; L215-F276 VanDerWaalsContact CD1-CE1 3.5Å; L215-F276 HydrophobicContact CD1-CE2 4.05Å; L215-F276 HydrophobicContact CD1-CG 4.3Å; L215-F276 HydrophobicContact CD1-CZ 3.59Å; L215-F276 HydrophobicContact CG-CZ 4.37Å; L215-M322 HydrophobicContact CB-CE 3.93Å; L215-M322 HydrophobicContact CD2-CE 3.97Å; L215-M322 HydrophobicContact CG-CE 3.89Å
216K96.3Very high92.6Very high12 Ų1213.7 Ų13.75%0.0528%0.081CC..Hα-helixtrans-59.5-43.6171.3-178.3-176168.6-76.50111.8V212 K213 A214 A219 S220 G221 D222 M322 L341V212-K216 PolarHBondContact O-N 2.83Å; K213-K216 WeakPolarHBondContact O-CB 3.45Å; K213-K216 PolarHBondContact O-N 3.29Å; A214-K216 VanDerWaalsContact C-N 3.35Å; A214-K216 PolarHBondContact O-N 2.95Å; K216-A219 PolarHBondContact O-N 3.07Å; K216-S220 PolarHBondContact O-N 2.84Å; K216-S220 PolarHBondContact O-OG 3.08Å; K216-G221 PolarHBondContact NZ-O 3.1Å; K216-G221 PolarHBondContact O-N 2.95Å; K216-D222 IonicContact NZ-OD1 3.34Å; K216-D222 PolarHBondContact NZ-OD1 2.9Å; K216-M322 WeakPolarHBondContact CA-SD 3.17Å; K216-M322 HydrophobicContact CB-CE 4.21Å; K216-M322 HydrophobicContact CB-SD 3.38Å; K216-M322 WeakPolarHBondContact CB-SD 3.43Å; K216-M322 HydrophobicContact CG-SD 3.83Å; K216-L341 HydrophobicContact CD-CD1 4.42Å; K216-L341 HydrophobicContact CD-CD2 3.94Å
217I96.7Very high91.6Very high13 Ų1322 Ų227%0.06712%0.117CC..Hα-helixtrans-62.2-47.2179.8-68.3162.3000110K213 A214 L215 A219 G221 D222 Q238 L244K213-I217 HydrophobicContact CG-CD1 4.49Å; K213-I217 WeakPolarHBondContact O-CG1 3.21Å; K213-I217 PolarHBondContact O-N 3.34Å; A214-I217 WeakPolarHBondContact O-CB 3.48Å; A214-I217 PolarHBondContact O-N 2.9Å; A214-I217 VanDerWaalsContact O-N 3.16Å; L215-I217 VanDerWaalsContact C-N 3.32Å; L215-I217 PolarHBondContact O-N 3.5Å; I217-A219 VanDerWaalsContact C-N 3.3Å; I217-A219 PolarHBondContact O-N 3.38Å; I217-G221 VanDerWaalsContact O-CA 3.26Å; I217-G221 WeakPolarHBondContact O-CA 3.39Å; I217-G221 PolarHBondContact O-N 2.84Å; I217-D222 HydrophobicContact CD1-CB 4.33Å; I217-D222 HydrophobicContact CG1-CB 3.57Å; I217-Q238 HydrophobicContact CG2-CB 3.42Å; I217-Q238 VanDerWaalsContact CG2-CB 3.42Å; I217-Q238 HydrophobicContact CG2-CG 3.85Å; I217-L244 HydrophobicContact CD1-CD1 4.46Å; I217-L244 HydrophobicContact CD1-CD2 4.17Å; I217-L244 HydrophobicContact CG2-CD1 3.66Å
218E97.4Very high90.8Very high0 Ų026.3 Ų26.30%014%0.14CC..Hα-helixtrans-60.8-37.1176.7-66.7-59.5159.500112.7A214 L215 R239 L248 F276 F277A214-E218 PolarHBondContact O-N 3.44Å; L215-E218 PolarHBondContact O-N 3.43Å; E218-R239 PolarHBondContact O-NE 2.62Å; E218-R239 PolarHBondContact O-NH2 3.45Å; E218-L248 HydrophobicContact CG-CD2 4.19Å; E218-F276 HydrophobicContact CB-CE1 3.9Å; E218-F276 HydrophobicContact CB-CZ 3.94Å; E218-F277 HydrophobicContact CB-CE1 4.19Å; E218-F277 HydrophobicContact CG-CE1 4.05Å; E218-F277 HydrophobicContact CG-CZ 4.07Å
219A97Very high90.3Very high0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-80.4-63.4-178.900000112.9L215 K216 I217 R235 R239 F276 Y324 F334 P335L215-A219 PolarHBondContact O-N 3.25Å; K216-A219 PolarHBondContact O-N 3.07Å; I217-A219 VanDerWaalsContact C-N 3.3Å; I217-A219 PolarHBondContact O-N 3.38Å; A219-R235 WeakPolarHBondContact O-CD 3.47Å; A219-R235 PolarHBondContact O-NH1 3.41Å; A219-R239 PolarHBondContact O-NH2 3.45Å; A219-F276 HydrophobicContact CB-CE2 3.95Å; A219-F276 HydrophobicContact CB-CZ 3.97Å; A219-Y324 VanDerWaalsContact CB-OH 3.28Å; A219-Y324 WeakPolarHBondContact CB-OH 3.3Å; A219-F334 HydrophobicContact CB-CE2 4.17Å; A219-P335 WeakPolarHBondContact O-CB 3.46Å
220S95.3Very high90Very high1 Ų135.4 Ų35.41%0.00718%0.182CC..Hα-helixtrans-118.73.7-167.653.50000114.2K216 P231 L232 Y324 Q337 P339K216-S220 PolarHBondContact O-N 2.84Å; K216-S220 PolarHBondContact O-OG 3.08Å; S220-P231 CarbonylContact O-C 3.54Å; S220-P231 WeakPolarHBondContact O-CB 3.39Å; S220-L232 WeakPolarHBondContact O-CD2 3.45Å; S220-L232 PolarHBondContact O-N 2.81Å; S220-Y324 WeakPolarHBondContact CB-OH 3.5Å; S220-Y324 PolarHBondContact OG-OH 3.11Å; S220-Q337 WeakPolarHBondContact CB-O 3.37Å; S220-P339 WeakPolarHBondContact OG-CD 3.43Å
221G95.5Very high89.7Confident0 Ų036 Ų360%019%0.187CC..  trans71.1177.7-173.500000114K216 I217 P231K216-G221 PolarHBondContact NZ-O 3.1Å; K216-G221 PolarHBondContact O-N 2.95Å; I217-G221 VanDerWaalsContact O-CA 3.26Å; I217-G221 WeakPolarHBondContact O-CA 3.39Å; I217-G221 PolarHBondContact O-N 2.84Å; G221-P231 WeakPolarHBondContact O-CB 3.49Å
222D92.1Very high89.6Confident13 Ų1337.9 Ų37.97%0.0720%0.196CC..  trans-140.7147.7174.2-163.575.4000110.2K216 I217 F224 F234 Q238K216-D222 IonicContact NZ-OD1 3.34Å; K216-D222 PolarHBondContact NZ-OD1 2.9Å; I217-D222 HydrophobicContact CD1-CB 4.33Å; I217-D222 HydrophobicContact CG1-CB 3.57Å; D222-F224 WeakPolarHBondContact OD2-CA 3.15Å; D222-F224 PolarHBondContact OD2-N 3.28Å; D222-F234 WeakPolarHBondContact O-CB 3.37Å; D222-Q238 PolarHBondContact O-NE2 3.09Å
223N83Confident89.4Confident13 Ų1339.3 Ų39.37%0.0721%0.206CC..  trans-100.513.9179.365.2-8.2000112.4G225 V226 F227 P231 F234N223-G225 PolarHBondContact O-N 3.19Å; N223-G225 VanDerWaalsContact O-N 3.1Å; N223-G225 PolarHBondContact OD1-N 2.83Å; N223-V226 WeakPolarHBondContact CB-O 3.11Å; N223-V226 PolarHBondContact ND2-O 3.17Å; N223-V226 PolarHBondContact O-N 3.37Å; N223-F227 WeakPolarHBondContact ND2-CD1 3.25Å; N223-P231 HydrophobicContact CB-CG 4.3Å; N223-F234 HydrophobicContact CB-CD2 4.28Å; N223-F234 HydrophobicContact CB-CE2 4.17Å
224F75.7Confident89.4Confident75 Ų7536.8 Ų36.833%0.32920%0.195SC..THydrogen-bonded Turntrans54.228.8-178.7-46.5-86000113.3W54 F60 D222 V226 F234 Q238W54-F224 AromaticContact CH2-CD1 3.93Å; W54-F224 HydrophobicContact CH2-CD1 3.93Å; W54-F224 HydrophobicContact CH2-CD2 4.38Å; W54-F224 AromaticContact CH2-CE1 3.81Å; W54-F224 HydrophobicContact CH2-CE1 3.81Å; W54-F224 HydrophobicContact CH2-CE2 4.27Å; W54-F224 HydrophobicContact CH2-CG 4.21Å; W54-F224 AromaticContact CH2-CZ 3.97Å; W54-F224 HydrophobicContact CH2-CZ 3.97Å; W54-F224 HydrophobicContact CZ3-CE1 4.48Å; W54-F224 HydrophobicContact CZ3-CE2 4.28Å; W54-F224 HydrophobicContact CZ3-CZ 4.19Å; F60-F224 HydrophobicContact CE1-CB 4.03Å; F60-F224 AromaticContact CE1-CD2 3.8Å; F60-F224 HydrophobicContact CE1-CD2 3.8Å; F60-F224 HydrophobicContact CE1-CG 4.29Å; F60-F224 HydrophobicContact CZ-CB 4.5Å; F60-F224 HydrophobicContact CZ-CD2 4.21Å; D222-F224 WeakPolarHBondContact OD2-CA 3.15Å; D222-F224 PolarHBondContact OD2-N 3.28Å; F224-V226 PolarHBondContact O-N 3.28Å; F224-F234 HydrophobicContact CE2-CB 4.5Å; F224-F234 HydrophobicContact CE2-CD1 4.11Å; F224-F234 HydrophobicContact CE2-CG 4.37Å; F224-Q238 HydrophobicContact CZ-CG 4.1Å
225G71.5Confident89.3Confident48 Ų4838.4 Ų38.450%0.49520%0.2SC..THydrogen-bonded Turntrans76.83.4-175.400000115N223 F227N223-G225 PolarHBondContact O-N 3.19Å; N223-G225 VanDerWaalsContact O-N 3.1Å; N223-G225 PolarHBondContact OD1-N 2.83Å; G225-F227 WeakPolarHBondContact O-CD2 3.49Å; G225-F227 WeakPolarHBondContact O-CE2 3.12Å
226V71.2Confident89.3Confident40 Ų4041.5 Ų41.524%0.24222%0.22CC..  trans-102.799.6179.3-179.50000109.7F60 N223 F224 L228F60-V226 HydrophobicContact CB-CG1 4.32Å; F60-V226 HydrophobicContact CD1-CB 3.62Å; F60-V226 HydrophobicContact CD1-CG1 3.74Å; F60-V226 HydrophobicContact CD1-CG2 3.96Å; F60-V226 HydrophobicContact CE1-CB 3.89Å; F60-V226 HydrophobicContact CE1-CG1 4.43Å; F60-V226 HydrophobicContact CE1-CG2 3.8Å; F60-V226 HydrophobicContact CG-CG1 4.28Å; N223-V226 WeakPolarHBondContact CB-O 3.11Å; N223-V226 PolarHBondContact ND2-O 3.17Å; N223-V226 PolarHBondContact O-N 3.37Å; F224-V226 PolarHBondContact O-N 3.28Å; V226-L228 HydrophobicContact CG1-CB 4.27Å; V226-L228 HydrophobicContact CG1-CD1 3.63Å; V226-L228 HydrophobicContact CG1-CG 3.67Å; V226-L228 PolarHBondContact O-N 2.89Å
227F77.2Confident89.3Confident178 Ų17841.1 Ų41.178%0.78122%0.219SC*.THydrogen-bonded Turntrans-7942-173.9-56.1-84.8000114.4N223 G225N223-F227 WeakPolarHBondContact ND2-CD1 3.25Å; G225-F227 WeakPolarHBondContact O-CD2 3.49Å; G225-F227 WeakPolarHBondContact O-CE2 3.12Å
228L81.5Confident89.3Confident93 Ų9340.6 Ų40.649%0.48722%0.216SC..THydrogen-bonded Turntrans-86.7-29.5176.5-66.1176000112.7F60 L61 V226F60-L228 HydrophobicContact CB-CD1 4.13Å; L61-L228 HydrophobicContact CD2-CB 4.16Å; L61-L228 HydrophobicContact CD2-CD1 3.93Å; L61-L228 HydrophobicContact CD2-CD2 4.43Å; L61-L228 HydrophobicContact CD2-CG 4.41Å; L61-L228 HydrophobicContact CG-CD1 4.31Å; V226-L228 HydrophobicContact CG1-CB 4.27Å; V226-L228 HydrophobicContact CG1-CD1 3.63Å; V226-L228 HydrophobicContact CG1-CG 3.67Å; V226-L228 PolarHBondContact O-N 2.89Å
229R87.5Confident89.2Confident133 Ų13341.7 Ų41.750%0.50222%0.22SC..SBendtrans-140.6160.4-179.4-61.4-69.1-71.1174.5-5.3110.3F60 S233 F234F60-R229 WeakPolarHBondContact O-CG 3.44Å; R229-S233 WeakPolarHBondContact CB-OG 3.41Å; R229-F234 HydrophobicContact CB-CE2 3.91Å; R229-F234 HydrophobicContact CB-CZ 4.37Å
230S90.3Very high89.3Confident57 Ų5742.7 Ų42.740%0.39923%0.227SC..  trans-61139.6174.1176.40000110.5L232 S233S230-L232 PolarHBondContact O-N 3.05Å; S230-L232 VanDerWaalsContact O-N 3.09Å; S230-L232 PolarHBondContact OG-N 3Å; S230-S233 WeakPolarHBondContact O-CB 3.36Å; S230-S233 PolarHBondContact O-N 2.69Å; S230-S233 PolarHBondContact O-OG 2.94Å
231P92Very high89.4Confident14 Ų1443.2 Ų43.29%0.09123%0.229CC..Hα-helixtrans-48.1-35.5171.2-29.536.8000113.4S220 G221 N223 S233 F234 R235 V338S220-P231 CarbonylContact O-C 3.54Å; S220-P231 WeakPolarHBondContact O-CB 3.39Å; G221-P231 WeakPolarHBondContact O-CB 3.49Å; N223-P231 HydrophobicContact CB-CG 4.3Å; P231-S233 PolarHBondContact O-N 3.23Å; P231-S233 VanDerWaalsContact O-N 3.13Å; P231-F234 PolarHBondContact O-N 3.38Å; P231-R235 PolarHBondContact O-N 2.89Å; P231-V338 HydrophobicContact CG-CG2 4.15Å
232L94.1Very high89.4Confident46 Ų4643.2 Ų43.224%0.24123%0.229CC..Hα-helixtrans-59-27.5178.3-67.5170.5000113.4S220 S230 F234 R235 P236S220-L232 WeakPolarHBondContact O-CD2 3.45Å; S220-L232 PolarHBondContact O-N 2.81Å; S230-L232 PolarHBondContact O-N 3.05Å; S230-L232 VanDerWaalsContact O-N 3.09Å; S230-L232 PolarHBondContact OG-N 3Å; L232-F234 VanDerWaalsContact C-N 3.33Å; L232-R235 WeakPolarHBondContact O-CB 3.42Å; L232-R235 PolarHBondContact O-N 2.67Å; L232-P236 WeakPolarHBondContact O-CD 3.22Å
233S94.2Very high89.7Confident31 Ų3142.6 Ų42.622%0.21723%0.226CC..Hα-helixtrans-74.7-22.917968.70000113.6P63 R229 S230 P231P63-S233 WeakPolarHBondContact CB-O 3.2Å; R229-S233 WeakPolarHBondContact CB-OG 3.41Å; S230-S233 WeakPolarHBondContact O-CB 3.36Å; S230-S233 PolarHBondContact O-N 2.69Å; S230-S233 PolarHBondContact O-OG 2.94Å; P231-S233 PolarHBondContact O-N 3.23Å; P231-S233 VanDerWaalsContact O-N 3.13Å
234F94.9Very high90.4Very high0 Ų042.3 Ų42.30%022%0.224CC..Hα-helixtrans-91.9-18.7174.8-63.6-80.7000112.5F60 P63 L66 D222 N223 F224 R229 P231 L232 P236 V237 Q238F60-F234 HydrophobicContact CB-CZ 4.27Å; F60-F234 HydrophobicContact CD1-CE1 4.3Å; F60-F234 HydrophobicContact CD1-CZ 4.01Å; F60-F234 HydrophobicContact CG-CZ 4.4Å; P63-F234 HydrophobicContact CB-CD1 3.92Å; P63-F234 HydrophobicContact CB-CE1 3.89Å; P63-F234 HydrophobicContact CB-CG 4.47Å; P63-F234 HydrophobicContact CB-CZ 4.42Å; L66-F234 HydrophobicContact CD2-CD1 4.32Å; L66-F234 HydrophobicContact CD2-CE1 4.42Å; D222-F234 WeakPolarHBondContact O-CB 3.37Å; N223-F234 HydrophobicContact CB-CD2 4.28Å; N223-F234 HydrophobicContact CB-CE2 4.17Å; F224-F234 HydrophobicContact CE2-CB 4.5Å; F224-F234 HydrophobicContact CE2-CD1 4.11Å; F224-F234 HydrophobicContact CE2-CG 4.37Å; R229-F234 HydrophobicContact CB-CE2 3.91Å; R229-F234 HydrophobicContact CB-CZ 4.37Å; P231-F234 PolarHBondContact O-N 3.38Å; L232-F234 VanDerWaalsContact C-N 3.33Å; F234-P236 VanDerWaalsContact C-CD 3.42Å; F234-P236 VanDerWaalsContact C-N 3.32Å; F234-V237 WeakPolarHBondContact O-CG1 3.44Å; F234-V237 PolarHBondContact O-N 3.02Å; F234-V237 VanDerWaalsContact O-N 3.17Å; F234-Q238 HydrophobicContact CB-CG 4.41Å; F234-Q238 WeakPolarHBondContact O-CB 3.27Å; F234-Q238 WeakPolarHBondContact O-CG 3.28Å; F234-Q238 PolarHBondContact O-N 3.15Å; F234-Q238 PolarHBondContact O-OE1 2.85Å
235R96.1Very high91.4Very high38 Ų3838.8 Ų38.814%0.14321%0.209CC..Hα-helixtrans-49.8-42.7178.4-172.517869.1-175.3-2.3113.9A219 P231 L232 V237 Q238 R239 P335 D336A219-R235 WeakPolarHBondContact O-CD 3.47Å; A219-R235 PolarHBondContact O-NH1 3.41Å; P231-R235 PolarHBondContact O-N 2.89Å; L232-R235 WeakPolarHBondContact O-CB 3.42Å; L232-R235 PolarHBondContact O-N 2.67Å; R235-V237 PolarHBondContact O-N 2.86Å; R235-Q238 PolarHBondContact O-N 3.46Å; R235-R239 HydrophobicContact CG-CG 4.05Å; R235-R239 WeakPolarHBondContact O-CB 3.49Å; R235-R239 WeakPolarHBondContact O-CG 3.22Å; R235-R239 PolarHBondContact O-N 2.89Å; R235-P335 PolarHBondContact NH1-O 2.93Å; R235-D336 IonicContact CZ-OD1 3.64Å; R235-D336 IonicContact NH1-OD1 3.72Å; R235-D336 PolarHBondContact NH1-OD1 3.33Å; R235-D336 IonicContact NH2-OD1 2.91Å; R235-D336 PolarHBondContact NH2-OD1 2.95Å
236P95.9Very high92.7Very high67 Ų6736.6 Ų36.644%0.43519%0.186SC..Hα-helixtrans-58.2-48.4178.9-26.536.2000112.9L232 F234 T240L232-P236 WeakPolarHBondContact O-CD 3.22Å; F234-P236 VanDerWaalsContact C-CD 3.42Å; F234-P236 VanDerWaalsContact C-N 3.32Å; P236-T240 WeakPolarHBondContact O-CG2 3.42Å
237V95.5Very high94Very high4 Ų435.4 Ų35.42%0.02418%0.178CC..Hα-helixtrans-68.1-46.517860.40000110.5L66 N67 F70 F234 R235 R239 T240 L241L66-V237 HydrophobicContact CD2-CG1 4.26Å; L66-V237 HydrophobicContact CG-CG1 4.44Å; L66-V237 HydrophobicContact CG-CG2 4.47Å; N67-V237 HydrophobicContact CB-CB 3.92Å; N67-V237 WeakPolarHBondContact OD1-CA 3.3Å; N67-V237 PolarHBondContact OD1-N 3.04Å; F70-V237 HydrophobicContact CD1-CG2 4.11Å; F234-V237 WeakPolarHBondContact O-CG1 3.44Å; F234-V237 PolarHBondContact O-N 3.02Å; F234-V237 VanDerWaalsContact O-N 3.17Å; R235-V237 PolarHBondContact O-N 2.86Å; V237-R239 PolarHBondContact O-N 3.44Å; V237-T240 WeakPolarHBondContact O-CB 3.35Å; V237-T240 PolarHBondContact O-N 2.98Å; V237-T240 PolarHBondContact O-OG1 2.92Å; V237-L241 HydrophobicContact CG2-CD1 4.36Å; V237-L241 WeakPolarHBondContact O-CD1 3.39Å
238Q96.5Very high94.9Very high2 Ų227 Ų271%0.00914%0.141CC..Hα-helixtrans-57.6-46.3-177.5-75.1167.8-26.400112.8I217 D222 F224 F234 R235 T240 L241 L244I217-Q238 HydrophobicContact CG2-CB 3.42Å; I217-Q238 VanDerWaalsContact CG2-CB 3.42Å; I217-Q238 HydrophobicContact CG2-CG 3.85Å; D222-Q238 PolarHBondContact O-NE2 3.09Å; F224-Q238 HydrophobicContact CZ-CG 4.1Å; F234-Q238 HydrophobicContact CB-CG 4.41Å; F234-Q238 WeakPolarHBondContact O-CB 3.27Å; F234-Q238 WeakPolarHBondContact O-CG 3.28Å; F234-Q238 PolarHBondContact O-N 3.15Å; F234-Q238 PolarHBondContact O-OE1 2.85Å; R235-Q238 PolarHBondContact O-N 3.46Å; Q238-T240 PolarHBondContact O-N 3.22Å; Q238-T240 VanDerWaalsContact O-N 3.09Å; Q238-L241 WeakPolarHBondContact O-CB 3.44Å; Q238-L241 PolarHBondContact O-N 3.31Å; Q238-L244 HydrophobicContact CB-CD1 4Å; Q238-L244 HydrophobicContact CG-CD1 4.38Å; Q238-L244 WeakPolarHBondContact O-CD1 3.33Å
239R97.3Very high95.7Very high23 Ų2322.5 Ų22.59%0.08712%0.118CC..Hα-helixtrans-56.4-28.1176.6-81.2-178.9174.7-177.1-3112.9E218 A219 R235 V237 L241 V280 Y282E218-R239 PolarHBondContact O-NE 2.62Å; E218-R239 PolarHBondContact O-NH2 3.45Å; A219-R239 PolarHBondContact O-NH2 3.45Å; R235-R239 HydrophobicContact CG-CG 4.05Å; R235-R239 WeakPolarHBondContact O-CB 3.49Å; R235-R239 WeakPolarHBondContact O-CG 3.22Å; R235-R239 PolarHBondContact O-N 2.89Å; V237-R239 PolarHBondContact O-N 3.44Å; R239-L241 PolarHBondContact O-N 3Å; R239-V280 PolarHBondContact NH1-O 3.29Å; R239-V280 PolarHBondContact NH2-O 3.3Å; R239-Y282 HydrophobicContact CB-CD1 4.06Å; R239-Y282 HydrophobicContact CB-CE1 3.6Å; R239-Y282 HydrophobicContact CB-CE2 4.21Å; R239-Y282 HydrophobicContact CG-CD1 3.93Å; R239-Y282 HydrophobicContact CG-CE1 3.97Å; R239-Y282 HydrophobicContact CG-CG 4.4Å; R239-Y282 WeakPolarHBondContact O-CE1 3.32Å; R239-Y282 PolarHBondContact O-OH 3.44Å
240T97.2Very high96.2Very high21 Ų2116.8 Ų16.813%0.12910%0.097CC..THydrogen-bonded Turntrans-71.8-11178.471.80000114.6G71 L72 P236 V237 Q238 P242G71-T240 WeakPolarHBondContact CA-OG1 3.26Å; L72-T240 WeakPolarHBondContact CB-O 3.46Å; L72-T240 PolarHBondContact N-OG1 2.98Å; L72-T240 WeakPolarHBondContact O-CB 3.19Å; L72-T240 VanDerWaalsContact O-CG2 3.27Å; L72-T240 WeakPolarHBondContact O-CG2 3.1Å; P236-T240 WeakPolarHBondContact O-CG2 3.42Å; V237-T240 WeakPolarHBondContact O-CB 3.35Å; V237-T240 PolarHBondContact O-N 2.98Å; V237-T240 PolarHBondContact O-OG1 2.92Å; Q238-T240 PolarHBondContact O-N 3.22Å; Q238-T240 VanDerWaalsContact O-N 3.09Å; T240-P242 WeakPolarHBondContact O-CD 3.36Å
241L97.3Very high96.5Very high11 Ų1116.1 Ų16.16%0.0589%0.092CC..  trans-91.9106.5-174.3-74.463.7000110.5F70 R141 V237 Q238 R239 S243 L244F70-L241 HydrophobicContact CE1-CD2 4.44Å; R141-L241 HydrophobicContact CB-CD2 4.39Å; R141-L241 HydrophobicContact CB-CG 3.86Å; R141-L241 HydrophobicContact CG-CD2 4.32Å; R141-L241 HydrophobicContact CG-CG 4.12Å; R141-L241 CarbonylContact O-C 3.59Å; R141-L241 WeakPolarHBondContact O-CA 3.35Å; R141-L241 WeakPolarHBondContact O-CB 3.3Å; V237-L241 HydrophobicContact CG2-CD1 4.36Å; V237-L241 WeakPolarHBondContact O-CD1 3.39Å; Q238-L241 WeakPolarHBondContact O-CB 3.44Å; Q238-L241 PolarHBondContact O-N 3.31Å; R239-L241 PolarHBondContact O-N 3Å; L241-S243 PolarHBondContact O-N 3.36Å; L241-L244 HydrophobicContact CB-CD1 4.12Å; L241-L244 HydrophobicContact CB-CG 4.05Å; L241-L244 HydrophobicContact CD2-CD1 4.17Å; L241-L244 HydrophobicContact CD2-CG 4.41Å; L241-L244 PolarHBondContact O-N 3.13Å
242P97.5Very high96.7Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-59-22.9176.6-25.136.4000113.7L72 S81 R141 A143 E146 T240 L244 A245 F246 M288L72-P242 HydrophobicContact CD1-CG 4.49Å; S81-P242 WeakPolarHBondContact OG-CG 3.45Å; R141-P242 WeakPolarHBondContact O-CD 3.45Å; R141-P242 VanDerWaalsContact O-N 3.15Å; A143-P242 HydrophobicContact CB-CB 4.47Å; E146-P242 WeakPolarHBondContact OE2-CB 3.46Å; E146-P242 WeakPolarHBondContact OE2-CG 3.47Å; T240-P242 WeakPolarHBondContact O-CD 3.36Å; P242-L244 VanDerWaalsContact C-N 3.25Å; P242-L244 PolarHBondContact O-N 3.3Å; P242-A245 PolarHBondContact O-N 3Å; P242-F246 WeakPolarHBondContact O-CB 3.4Å; P242-F246 PolarHBondContact O-N 2.84Å; P242-M288 HydrophobicContact CB-CB 4.38Å; P242-M288 HydrophobicContact CB-CG 4.5Å; P242-M288 HydrophobicContact CG-CE 4.36Å; P242-M288 HydrophobicContact CG-CG 4.33Å; P242-M288 HydrophobicContact CG-SD 4.31Å
243S97.8Very high96.8Very high0 Ų020.2 Ų20.20%010%0.104CC..Hα-helixtrans-59.5-33.8174.264.60000113.1F140 R141 L241 F246 L247F140-S243 WeakPolarHBondContact O-CB 3.35Å; F140-S243 PolarHBondContact O-OG 3.08Å; R141-S243 WeakPolarHBondContact O-CB 3.03Å; R141-S243 PolarHBondContact O-N 3.3Å; R141-S243 VanDerWaalsContact O-N 3.08Å; R141-S243 PolarHBondContact O-OG 3.27Å; L241-S243 PolarHBondContact O-N 3.36Å; S243-F246 WeakPolarHBondContact O-CB 3.16Å; S243-F246 PolarHBondContact O-N 3.23Å; S243-L247 VanDerWaalsContact O-CG 3.25Å; S243-L247 WeakPolarHBondContact O-CG 3.48Å; S243-L247 PolarHBondContact O-N 3.3Å
244L97.5Very high96.9Very high8 Ų818.9 Ų18.94%0.0429%0.094CC..Hα-helixtrans-75.5-41.3179.9-63.7-178.6000111.6D34 I217 Q238 L241 P242 F246 L247 L248D34-L244 WeakPolarHBondContact OD2-CD2 3.5Å; I217-L244 HydrophobicContact CD1-CD1 4.46Å; I217-L244 HydrophobicContact CD1-CD2 4.17Å; I217-L244 HydrophobicContact CG2-CD1 3.66Å; Q238-L244 HydrophobicContact CB-CD1 4Å; Q238-L244 HydrophobicContact CG-CD1 4.38Å; Q238-L244 WeakPolarHBondContact O-CD1 3.33Å; L241-L244 HydrophobicContact CB-CD1 4.12Å; L241-L244 HydrophobicContact CB-CG 4.05Å; L241-L244 HydrophobicContact CD2-CD1 4.17Å; L241-L244 HydrophobicContact CD2-CG 4.41Å; L241-L244 PolarHBondContact O-N 3.13Å; P242-L244 VanDerWaalsContact C-N 3.25Å; P242-L244 PolarHBondContact O-N 3.3Å; L244-F246 VanDerWaalsContact C-N 3.3Å; L244-F246 PolarHBondContact O-N 3.16Å; L244-L247 PolarHBondContact O-N 2.78Å; L244-L247 VanDerWaalsContact O-N 3.07Å; L244-L248 PolarHBondContact O-N 3.49Å
245A97.4Very high96.9Very high0 Ų021.3 Ų21.30%011%0.111CC..Hα-helixtrans-60.5-39.4171.300000111.9P242 L247 L248 M288 M289P242-A245 PolarHBondContact O-N 3Å; A245-L247 PolarHBondContact O-N 3.47Å; A245-L248 WeakPolarHBondContact O-CB 3.38Å; A245-L248 VanDerWaalsContact O-CG 3.3Å; A245-L248 WeakPolarHBondContact O-CG 3.48Å; A245-L248 PolarHBondContact O-N 3.33Å; A245-M288 HydrophobicContact CB-CB 4.03Å; A245-M289 HydrophobicContact CB-CB 4.07Å
246F97.6Very high97Very high3 Ų323.4 Ų23.41%0.01313%0.13CC..Hα-helixtrans-62.9-27.4174174.7-120.4000113.4A143 P144 L177 K180 P242 S243 L244 S292 I295 I296A143-F246 HydrophobicContact CB-CB 3.93Å; A143-F246 HydrophobicContact CB-CD1 4.45Å; A143-F246 HydrophobicContact CB-CG 4.12Å; P144-F246 HydrophobicContact CG-CE1 4.2Å; P144-F246 HydrophobicContact CG-CZ 4.33Å; L177-F246 HydrophobicContact CD1-CD1 3.81Å; L177-F246 HydrophobicContact CD1-CE1 3.87Å; K180-F246 HydrophobicContact CB-CE1 4.02Å; K180-F246 HydrophobicContact CB-CZ 4.32Å; K180-F246 HydrophobicContact CD-CD1 4.31Å; K180-F246 HydrophobicContact CD-CE1 3.41Å; K180-F246 VanDerWaalsContact CD-CE1 3.41Å; K180-F246 HydrophobicContact CD-CZ 3.61Å; K180-F246 HydrophobicContact CG-CE1 4.38Å; P242-F246 WeakPolarHBondContact O-CB 3.4Å; P242-F246 PolarHBondContact O-N 2.84Å; S243-F246 WeakPolarHBondContact O-CB 3.16Å; S243-F246 PolarHBondContact O-N 3.23Å; L244-F246 VanDerWaalsContact C-N 3.3Å; L244-F246 PolarHBondContact O-N 3.16Å; F246-S292 VanDerWaalsContact CD2-O 3.27Å; F246-S292 WeakPolarHBondContact CD2-O 3.35Å; F246-S292 WeakPolarHBondContact CE2-O 3.28Å; F246-I295 HydrophobicContact CD2-CD1 4.24Å; F246-I295 HydrophobicContact CE2-CD1 3.76Å; F246-I295 HydrophobicContact CE2-CG1 3.94Å; F246-I295 HydrophobicContact CZ-CD1 4.08Å; F246-I295 HydrophobicContact CZ-CG1 4.38Å; F246-I296 HydrophobicContact CE2-CG1 4.38Å; F246-I296 HydrophobicContact CZ-CD1 4.04Å; F246-I296 HydrophobicContact CZ-CG1 4Å
247L97.9Very high97Very high15 Ų1526.2 Ų26.28%0.07915%0.146CC..THydrogen-bonded Turntrans-902.7-179.9-71.5175.6000114.1L177 K180 P207 G210 S211 A214 S243 L244 A245L177-L247 HydrophobicContact CB-CD1 4.47Å; L177-L247 HydrophobicContact CD1-CD1 4.35Å; L177-L247 HydrophobicContact CD1-CD2 4.07Å; L177-L247 HydrophobicContact CD1-CG 4.27Å; K180-L247 HydrophobicContact CD-CD2 4.2Å; P207-L247 HydrophobicContact CB-CD2 4.16Å; P207-L247 HydrophobicContact CG-CD2 3.49Å; P207-L247 VanDerWaalsContact CG-CD2 3.49Å; G210-L247 CarbonylContact C-O 3.51Å; G210-L247 WeakPolarHBondContact CA-O 3.45Å; S211-L247 PolarHBondContact N-O 3.29Å; A214-L247 HydrophobicContact CB-CB 4.02Å; S243-L247 VanDerWaalsContact O-CG 3.25Å; S243-L247 WeakPolarHBondContact O-CG 3.48Å; S243-L247 PolarHBondContact O-N 3.3Å; L244-L247 PolarHBondContact O-N 2.78Å; L244-L247 VanDerWaalsContact O-N 3.07Å; A245-L247 PolarHBondContact O-N 3.47Å
248L97.9Very high97.1Very high0 Ų027.7 Ų27.70%015%0.152CC..SBendtrans-56154.7170.9-68.8180000111.4G210 A214 L215 E218 L244 A245 Y273 F277 M289 K293G210-L248 WeakPolarHBondContact CA-O 3.42Å; A214-L248 HydrophobicContact CB-CD2 4.03Å; L215-L248 HydrophobicContact CB-CD2 3.83Å; L215-L248 HydrophobicContact CD1-CD2 3.84Å; L215-L248 HydrophobicContact CG-CD2 4.46Å; E218-L248 HydrophobicContact CG-CD2 4.19Å; L244-L248 PolarHBondContact O-N 3.49Å; A245-L248 WeakPolarHBondContact O-CB 3.38Å; A245-L248 VanDerWaalsContact O-CG 3.3Å; A245-L248 WeakPolarHBondContact O-CG 3.48Å; A245-L248 PolarHBondContact O-N 3.33Å; L248-Y273 HydrophobicContact CB-CE2 4.43Å; L248-Y273 HydrophobicContact CD1-CD1 4.32Å; L248-Y273 HydrophobicContact CD1-CE1 4.31Å; L248-F277 HydrophobicContact CD1-CE2 3.75Å; L248-F277 HydrophobicContact CD1-CZ 3.76Å; L248-M289 HydrophobicContact CD1-CB 4.45Å; L248-M289 HydrophobicContact CD1-CG 3.95Å; L248-K293 PolarHBondContact O-NZ 2.61Å
249P97.7Very high97.2Very high0 Ų028.9 Ų28.90%016%0.16CC..PPolyproline II helixtrans-52.7139.3176.4-29.938000113.4G209 S211 V212 W254 L260 A270 Y273 K293G209-P249 CarbonylContact O-C 3.55Å; G209-P249 WeakPolarHBondContact O-CA 3.17Å; S211-P249 WeakPolarHBondContact O-CD 3.32Å; V212-P249 HydrophobicContact CG2-CG 4.15Å; P249-W254 HydrophobicContact CB-CD2 3.97Å; P249-W254 HydrophobicContact CB-CE3 3.6Å; P249-W254 HydrophobicContact CB-CH2 3.79Å; P249-W254 HydrophobicContact CB-CZ2 4.1Å; P249-W254 HydrophobicContact CB-CZ3 3.54Å; P249-L260 HydrophobicContact CB-CD1 4.04Å; P249-L260 HydrophobicContact CG-CD1 3.84Å; P249-A270 HydrophobicContact CB-CB 4.34Å; P249-Y273 WeakPolarHBondContact CB-OH 3.22Å; P249-Y273 VanDerWaalsContact CD-OH 3.26Å; P249-Y273 WeakPolarHBondContact CD-OH 3.18Å; P249-Y273 PolarHBondContact O-OH 3.08Å; P249-K293 VanDerWaalsContact C-NZ 3.28Å; P249-K293 PolarHBondContact O-NZ 3.05Å
250D96.9Very high97.2Very high13 Ų1327.8 Ų27.87%0.0716%0.156CC..PPolyproline II helixtrans-80.8117.1174-171.1-50.6000109.4G209 R252 L253G209-D250 PolarHBondContact O-N 2.7Å; D250-R252 PolarHBondContact O-N 2.66Å; D250-R252 VanDerWaalsContact OD1-CB 3.23Å; D250-R252 WeakPolarHBondContact OD1-CB 3.43Å; D250-R252 WeakPolarHBondContact OD1-CG 3.43Å; D250-R252 IonicContact OD1-CZ 2.7Å; D250-R252 PolarHBondContact OD1-N 2.79Å; D250-R252 IonicContact OD1-NE 2.91Å; D250-R252 PolarHBondContact OD1-NE 3.04Å; D250-R252 IonicContact OD1-NH2 2.66Å; D250-R252 IonicContact OD2-CZ 2.63Å; D250-R252 IonicContact OD2-NE 3.79Å; D250-R252 PolarHBondContact OD2-NE 3.23Å; D250-R252 IonicContact OD2-NH2 2.8Å; D250-R252 PolarHBondContact OD2-NH2 3.27Å; D250-L253 PolarHBondContact O-N 3.32Å
251S96.8Very high97.2Very high43 Ų4326.8 Ų26.830%0.30115%0.15SC..THydrogen-bonded Turntrans-58.6-16.2-173.966.20000114.2L253 A270 H271S251-L253 PolarHBondContact O-N 3.37Å; S251-A270 WeakPolarHBondContact CB-O 3.35Å; S251-H271 PolarHBondContact O-CE1 3.33Å; S251-H271 PolarHBondContact O-NE2 3.33Å
252R96.5Very high97.3Very high125 Ų12528.5 Ų28.547%0.47216%0.159SC..THydrogen-bonded Turntrans-71.1-14.8173.1-60.2173.9-70.7169.81.7113.7D250 D297 L299D250-R252 PolarHBondContact O-N 2.66Å; D250-R252 VanDerWaalsContact OD1-CB 3.23Å; D250-R252 WeakPolarHBondContact OD1-CB 3.43Å; D250-R252 WeakPolarHBondContact OD1-CG 3.43Å; D250-R252 IonicContact OD1-CZ 2.7Å; D250-R252 PolarHBondContact OD1-N 2.79Å; D250-R252 IonicContact OD1-NE 2.91Å; D250-R252 PolarHBondContact OD1-NE 3.04Å; D250-R252 IonicContact OD1-NH2 2.66Å; D250-R252 IonicContact OD2-CZ 2.63Å; D250-R252 IonicContact OD2-NE 3.79Å; D250-R252 PolarHBondContact OD2-NE 3.23Å; D250-R252 IonicContact OD2-NH2 2.8Å; D250-R252 PolarHBondContact OD2-NH2 3.27Å; R252-D297 IonicContact CZ-OD1 3.23Å; R252-D297 IonicContact CZ-OD2 3.08Å; R252-D297 IonicContact NH1-OD1 3.38Å; R252-D297 PolarHBondContact NH1-OD1 3.15Å; R252-D297 IonicContact NH1-OD2 3.87Å; R252-D297 PolarHBondContact NH1-OD2 3.09Å; R252-D297 IonicContact NH2-OD1 3.55Å; R252-D297 PolarHBondContact NH2-OD1 3Å; R252-D297 IonicContact NH2-OD2 3.31Å; R252-L299 HydrophobicContact CB-CD1 3.91Å; R252-L299 VanDerWaalsContact CZ-CD1 3.43Å
253L96.4Very high97.3Very high21 Ų2129 Ų2911%0.1116%0.162CC..SBendtrans-107.2-7.6179.1-59.7178.9000113.9D250 S251 L299 R353 V357D250-L253 PolarHBondContact O-N 3.32Å; S251-L253 PolarHBondContact O-N 3.37Å; L253-L299 HydrophobicContact CD1-CD2 4.07Å; L253-L299 HydrophobicContact CD2-CD2 4.08Å; L253-L299 HydrophobicContact CG-CD2 4.18Å; L253-R353 WeakPolarHBondContact O-CD 3.41Å; L253-R353 PolarHBondContact O-NH1 3.2Å; L253-V357 HydrophobicContact CD1-CG2 3.48Å; L253-V357 VanDerWaalsContact CD1-CG2 3.48Å; L253-V357 HydrophobicContact CD2-CG2 4.3Å
254W95.9Very high97.2Very high3 Ų332.7 Ų32.71%0.01119%0.186CC..SBendtrans-124.3130.1176.4-72.8-97.3000109.7G209 P249 L260 A270 H271G209-W254 WeakPolarHBondContact O-CH2 3.34Å; G209-W254 WeakPolarHBondContact O-CZ3 3.38Å; P249-W254 HydrophobicContact CB-CD2 3.97Å; P249-W254 HydrophobicContact CB-CE3 3.6Å; P249-W254 HydrophobicContact CB-CH2 3.79Å; P249-W254 HydrophobicContact CB-CZ2 4.1Å; P249-W254 HydrophobicContact CB-CZ3 3.54Å; W254-L260 HydrophobicContact CG-CD2 4.38Å; W254-A270 HydrophobicContact CB-CB 3.88Å; W254-A270 HydrophobicContact CG-CB 4.48Å; W254-H271 PolarHBondContact O-NE2 3.21Å
255S96Very high97.1Very high51 Ų5138.2 Ų38.236%0.35722%0.22SC..  trans-61.7146.4178.8175.90000110.5T257 E258S255-T257 PolarHBondContact O-N 2.96Å; S255-T257 VanDerWaalsContact O-N 3.1Å; S255-T257 PolarHBondContact OG-N 3.07Å; S255-T257 PolarHBondContact OG-OG1 3.49Å; S255-E258 WeakPolarHBondContact O-CB 3.4Å; S255-E258 PolarHBondContact O-N 3.43Å
256P96.8Very high97.1Very high82 Ų8239.1 Ų39.153%0.53223%0.226SC..THydrogen-bonded Turntrans-54.2-27169.3-24.232.9000113.6E258 S269 H271P256-E258 VanDerWaalsContact C-N 3.35Å; P256-S269 WeakPolarHBondContact O-CB 3.42Å; P256-H271 VanDerWaalsContact CA-CD2 3.48Å; P256-H271 WeakPolarHBondContact CA-CD2 3.2Å
257T97Very high97.1Very high126 Ų12643.1 Ų43.177%0.77325%0.247SC*.THydrogen-bonded Turntrans-88.51.7178.464.30000114S255 P259S255-T257 PolarHBondContact O-N 2.96Å; S255-T257 VanDerWaalsContact O-N 3.1Å; S255-T257 PolarHBondContact OG-N 3.07Å; S255-T257 PolarHBondContact OG-OG1 3.49Å; T257-P259 WeakPolarHBondContact O-CD 3.29Å
258E97.1Very high97.1Very high34 Ų3442.8 Ų42.816%0.15925%0.245CC..  trans-99.2106-177.2-173.7179.5173.600110.7S255 P256 S269 R353S255-E258 WeakPolarHBondContact O-CB 3.4Å; S255-E258 PolarHBondContact O-N 3.43Å; P256-E258 VanDerWaalsContact C-N 3.35Å; E258-S269 WeakPolarHBondContact O-CB 3.32Å; E258-R353 VanDerWaalsContact CD-NH1 3.33Å; E258-R353 IonicContact OE1-CZ 3.95Å; E258-R353 IonicContact OE1-NH1 3.83Å; E258-R353 PolarHBondContact OE1-NH1 3.43Å; E258-R353 VanDerWaalsContact OE1-NH1 3.12Å; E258-R353 IonicContact OE1-NH2 2.92Å; E258-R353 PolarHBondContact OE1-NH2 3.35Å; E258-R353 IonicContact OE2-CZ 3.83Å; E258-R353 IonicContact OE2-NH1 3.29Å; E258-R353 PolarHBondContact OE2-NH1 3.48Å; E258-R353 IonicContact OE2-NH2 3.04Å
259P97.6Very high97.1Very high27 Ų2743 Ų4318%0.17525%0.247CC..  trans-75.4132.518031.8-35.9000111.2T257 I262 N267 K321T257-P259 WeakPolarHBondContact O-CD 3.29Å; P259-I262 HydrophobicContact CB-CG1 3.97Å; P259-I262 HydrophobicContact CG-CD1 4.27Å; P259-I262 HydrophobicContact CG-CG1 4.18Å; P259-N267 HydrophobicContact CB-CB 3.95Å; P259-K321 WeakPolarHBondContact O-CD 3.39Å; P259-K321 WeakPolarHBondContact O-CE 3.4Å
260L98.1Very high97.1Very high0 Ų043.1 Ų43.10%025%0.247CC..SBendtrans-97.3-35171.6-66.4179.6000111.7V212 L215 P249 W254 Y268 A270 K321 M322V212-L260 HydrophobicContact CG2-CD2 3.86Å; L215-L260 HydrophobicContact CD2-CB 3.85Å; L215-L260 HydrophobicContact CD2-CD1 4.14Å; P249-L260 HydrophobicContact CB-CD1 4.04Å; P249-L260 HydrophobicContact CG-CD1 3.84Å; W254-L260 HydrophobicContact CG-CD2 4.38Å; L260-Y268 PolarHBondContact N-O 3.33Å; L260-A270 HydrophobicContact CD1-CB 3.99Å; L260-K321 CarbonylContact O-C 3.59Å; L260-K321 WeakPolarHBondContact O-CA 3.26Å; L260-M322 PolarHBondContact O-N 3.08Å
261I98.4Very high97.2Very high0 Ų046.6 Ų46.60%026%0.263CS..EExtended strand (participates in β ladder)trans-117.7130.4170.6-64.4167.7000108.2L215 T263 N267 Y268 F276 M322 Y324 F334L215-I261 HydrophobicContact CD1-CD1 4.17Å; L215-I261 HydrophobicContact CD2-CD1 3.63Å; L215-I261 HydrophobicContact CD2-CG1 3.79Å; L215-I261 HydrophobicContact CG-CD1 3.65Å; L215-I261 HydrophobicContact CG-CG1 4.25Å; I261-T263 HydrophobicContact CG2-CG2 3.77Å; I261-N267 CarbonylContact O-C 3.36Å; I261-N267 WeakPolarHBondContact O-CA 3.47Å; I261-Y268 HydrophobicContact CB-CD2 3.89Å; I261-Y268 HydrophobicContact CB-CG 4.48Å; I261-Y268 HydrophobicContact CG2-CD2 3.77Å; I261-Y268 HydrophobicContact CG2-CE2 4.3Å; I261-Y268 PolarHBondContact N-O 3.41Å; I261-Y268 VanDerWaalsContact N-O 3.1Å; I261-Y268 PolarHBondContact O-N 3.42Å; I261-F276 HydrophobicContact CD1-CD2 3.66Å; I261-F276 HydrophobicContact CD1-CE2 3.32Å; I261-F276 HydrophobicContact CD1-CZ 4.2Å; I261-M322 CarbonylContact C-O 3.49Å; I261-M322 WeakPolarHBondContact CA-O 3.37Å; I261-M322 HydrophobicContact CD1-CE 3.99Å; I261-M322 HydrophobicContact CG1-CB 4.45Å; I261-M322 HydrophobicContact CG1-CE 3.48Å; I261-M322 VanDerWaalsContact CG1-CE 3.48Å; I261-Y324 HydrophobicContact CG2-CD2 3.75Å; I261-Y324 HydrophobicContact CG2-CE2 3.89Å; I261-F334 HydrophobicContact CD1-CE2 4.37Å; I261-F334 HydrophobicContact CG2-CD2 4.38Å; I261-F334 HydrophobicContact CG2-CE2 3.88Å; I261-F334 HydrophobicContact CG2-CZ 4.44Å
262I98.3Very high97.2Very high47 Ų4747.2 Ų47.224%0.24126%0.263CS..EExtended strand (participates in β ladder)trans-115.9125.3174.8-62166.4000107.3P259 N267 M322 I323 Y324P259-I262 HydrophobicContact CB-CG1 3.97Å; P259-I262 HydrophobicContact CG-CD1 4.27Å; P259-I262 HydrophobicContact CG-CG1 4.18Å; I262-N267 WeakPolarHBondContact CA-OD1 3.09Å; I262-N267 WeakPolarHBondContact CG2-OD1 3.35Å; I262-M322 PolarHBondContact N-O 3.03Å; I262-I323 HydrophobicContact CB-CG1 4.28Å; I262-I323 HydrophobicContact CD1-CG1 4.24Å; I262-I323 HydrophobicContact CG2-CG2 4.44Å; I262-I323 WeakPolarHBondContact O-CA 3.35Å; I262-Y324 PolarHBondContact O-N 2.65Å
263T97.9Very high97.3Very high11 Ų1141.9 Ų41.97%0.06724%0.243CC..  trans-126.7169.617579.20000109.4I261 T265 T266 Y268 F334I261-T263 HydrophobicContact CG2-CG2 3.77Å; T263-T265 PolarHBondContact O-N 2.78Å; T263-T265 VanDerWaalsContact O-N 3.16Å; T263-T265 PolarHBondContact OG1-N 2.85Å; T263-T266 WeakPolarHBondContact CB-O 3.26Å; T263-T266 PolarHBondContact N-O 2.86Å; T263-T266 PolarHBondContact OG1-N 3.1Å; T263-T266 PolarHBondContact OG1-O 3.09Å; T263-Y268 HydrophobicContact CG2-CD2 4.37Å; T263-Y268 HydrophobicContact CG2-CE2 3.78Å; T263-F334 HydrophobicContact CG2-CB 3.95Å; T263-F334 HydrophobicContact CG2-CD1 4.08Å; T263-F334 HydrophobicContact CG2-CD2 3.82Å; T263-F334 HydrophobicContact CG2-CE2 4.31Å; T263-F334 HydrophobicContact CG2-CG 3.69Å
264P96.4Very high97.4Very high78 Ų7847 Ų4751%0.50627%0.266SS..SBendtrans-62.5-24-178.9-23.535.8000114.1Y324 P326P264-Y324 WeakPolarHBondContact CD-O 3.49Å; P264-P326 HydrophobicContact CB-CG 4.16Å; P264-P326 HydrophobicContact CG-CB 4.12Å; P264-P326 HydrophobicContact CG-CG 3.7Å
265T95.4Very high97.5Very high124 Ų12451.9 Ų51.976%0.76129%0.285SS*.SBendtrans-118.3-19.4-172.757.50000113.6T263T263-T265 PolarHBondContact O-N 2.78Å; T263-T265 VanDerWaalsContact O-N 3.16Å; T263-T265 PolarHBondContact OG1-N 2.85Å
266T96.3Very high97.6Very high18 Ų1849.5 Ų49.511%0.1127%0.268CS..  trans-154.1138.5-172.8-62.20000111.2T263 Y268 R275T263-T266 WeakPolarHBondContact CB-O 3.26Å; T263-T266 PolarHBondContact N-O 2.86Å; T263-T266 PolarHBondContact OG1-N 3.1Å; T263-T266 PolarHBondContact OG1-O 3.09Å; T266-Y268 HydrophobicContact CG2-CD1 4.25Å; T266-Y268 HydrophobicContact CG2-CD2 4.29Å; T266-Y268 HydrophobicContact CG2-CE1 3.83Å; T266-Y268 HydrophobicContact CG2-CE2 3.87Å; T266-Y268 HydrophobicContact CG2-CG 4.47Å; T266-R275 VanDerWaalsContact CG2-CZ 3.4Å; T266-R275 VanDerWaalsContact CG2-NH2 3.3Å; T266-R275 PolarHBondContact OG1-NH2 3.45Å
267N97.8Very high97.7Very high88 Ų8845.6 Ų45.647%0.47124%0.242SC..EExtended strand (participates in β ladder)trans-103142.4167.4-69.4-15.5000109.4P259 I261 I262P259-N267 HydrophobicContact CB-CB 3.95Å; I261-N267 CarbonylContact O-C 3.36Å; I261-N267 WeakPolarHBondContact O-CA 3.47Å; I262-N267 WeakPolarHBondContact CA-OD1 3.09Å; I262-N267 WeakPolarHBondContact CG2-OD1 3.35Å
268Y98.5Very high97.7Very high8 Ų846.1 Ų46.13%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-120123.7177.3-50-98.4000109.6L260 I261 T263 T266 D272 R275 F276 D279 F334L260-Y268 PolarHBondContact N-O 3.33Å; I261-Y268 HydrophobicContact CB-CD2 3.89Å; I261-Y268 HydrophobicContact CB-CG 4.48Å; I261-Y268 HydrophobicContact CG2-CD2 3.77Å; I261-Y268 HydrophobicContact CG2-CE2 4.3Å; I261-Y268 PolarHBondContact N-O 3.41Å; I261-Y268 VanDerWaalsContact N-O 3.1Å; I261-Y268 PolarHBondContact O-N 3.42Å; T263-Y268 HydrophobicContact CG2-CD2 4.37Å; T263-Y268 HydrophobicContact CG2-CE2 3.78Å; T266-Y268 HydrophobicContact CG2-CD1 4.25Å; T266-Y268 HydrophobicContact CG2-CD2 4.29Å; T266-Y268 HydrophobicContact CG2-CE1 3.83Å; T266-Y268 HydrophobicContact CG2-CE2 3.87Å; T266-Y268 HydrophobicContact CG2-CG 4.47Å; Y268-D272 HydrophobicContact CD1-CB 4.41Å; Y268-R275 HydrophobicContact CD1-CG 4.38Å; Y268-R275 HydrophobicContact CE1-CG 3.94Å; Y268-F276 HydrophobicContact CD1-CB 3.73Å; Y268-F276 HydrophobicContact CD1-CD2 4.43Å; Y268-F276 HydrophobicContact CE1-CB 4.2Å; Y268-F276 HydrophobicContact CG-CB 4.37Å; Y268-F276 HydrophobicContact CG-CD2 4.47Å; Y268-D279 HydrophobicContact CE1-CB 4.27Å; Y268-D279 WeakPolarHBondContact OH-CB 3.35Å; Y268-D279 PolarHBondContact OH-OD2 2.88Å; Y268-D279 VanDerWaalsContact OH-OD2 3.1Å; Y268-F334 AromaticContact CE2-CE1 3.87Å; Y268-F334 HydrophobicContact CE2-CE1 3.87Å; Y268-F334 AromaticContact CE2-CZ 3.96Å; Y268-F334 HydrophobicContact CE2-CZ 3.96Å; Y268-F334 AromaticContact CZ-CE1 3.88Å
269S98.2Very high97.8Very high5 Ų547.2 Ų47.24%0.03524%0.237CC..  trans-92.6179.2170.174.50000111.1P256 E258 H271 D272P256-S269 WeakPolarHBondContact O-CB 3.42Å; E258-S269 WeakPolarHBondContact O-CB 3.32Å; S269-H271 PolarHBondContact O-N 2.79Å; S269-H271 VanDerWaalsContact O-N 3.15Å; S269-H271 PolarHBondContact OG-N 3.02Å; S269-D272 WeakPolarHBondContact CB-OD2 3.26Å; S269-D272 PolarHBondContact N-OD2 2.85Å; S269-D272 PolarHBondContact O-N 3.35Å; S269-D272 PolarHBondContact OG-OD2 3.13Å
270A97.7Very high97.7Very high1 Ų146.2 Ų46.21%0.00823%0.23CC..THydrogen-bonded Turntrans-66.1-5.9169.800000113.8P249 S251 W254 L260 Y273P249-A270 HydrophobicContact CB-CB 4.34Å; S251-A270 WeakPolarHBondContact CB-O 3.35Å; W254-A270 HydrophobicContact CB-CB 3.88Å; W254-A270 HydrophobicContact CG-CB 4.48Å; L260-A270 HydrophobicContact CD1-CB 3.99Å; A270-Y273 WeakPolarHBondContact O-CD2 3.43Å; A270-Y273 WeakPolarHBondContact O-CE2 3.49Å
271H97.9Very high97.7Very high87 Ų8753.2 Ų53.240%0.40327%0.268SS..THydrogen-bonded Turntrans-99.9-5.4178-61.2-100.2000112.5S251 W254 P256 S269S251-H271 PolarHBondContact O-CE1 3.33Å; S251-H271 PolarHBondContact O-NE2 3.33Å; W254-H271 PolarHBondContact O-NE2 3.21Å; P256-H271 VanDerWaalsContact CA-CD2 3.48Å; P256-H271 WeakPolarHBondContact CA-CD2 3.2Å; S269-H271 PolarHBondContact O-N 2.79Å; S269-H271 VanDerWaalsContact O-N 3.15Å; S269-H271 PolarHBondContact OG-N 3.02Å
272D98.1Very high97.6Very high55 Ų5555 Ų5529%0.29428%0.275SS..  trans-103.921.3-173.8-61.6-63.8000113.6Y268 S269 E274 R275 F276Y268-D272 HydrophobicContact CD1-CB 4.41Å; S269-D272 WeakPolarHBondContact CB-OD2 3.26Å; S269-D272 PolarHBondContact N-OD2 2.85Å; S269-D272 PolarHBondContact O-N 3.35Å; S269-D272 PolarHBondContact OG-OD2 3.13Å; D272-E274 PolarHBondContact O-N 2.83Å; D272-R275 PolarHBondContact O-N 2.83Å; D272-F276 WeakPolarHBondContact O-CB 3.2Å; D272-F276 PolarHBondContact O-N 3.19Å
273Y97.9Very high97.6Very high14 Ų1455.8 Ų55.86%0.05529%0.285CS..Hα-helixtrans-60.7-38.5-170.2-69.4-40.5000114.6L215 L248 P249 A270 R275 F276 F277 M289L215-Y273 HydrophobicContact CD1-CD1 4.36Å; L215-Y273 HydrophobicContact CD1-CE1 4Å; L248-Y273 HydrophobicContact CB-CE2 4.43Å; L248-Y273 HydrophobicContact CD1-CD1 4.32Å; L248-Y273 HydrophobicContact CD1-CE1 4.31Å; P249-Y273 WeakPolarHBondContact CB-OH 3.22Å; P249-Y273 VanDerWaalsContact CD-OH 3.26Å; P249-Y273 WeakPolarHBondContact CD-OH 3.18Å; P249-Y273 PolarHBondContact O-OH 3.08Å; A270-Y273 WeakPolarHBondContact O-CD2 3.43Å; A270-Y273 WeakPolarHBondContact O-CE2 3.49Å; Y273-R275 PolarHBondContact O-N 2.87Å; Y273-F276 PolarHBondContact O-N 3.41Å; Y273-F277 WeakPolarHBondContact O-CB 3.22Å; Y273-F277 WeakPolarHBondContact O-CD2 3.36Å; Y273-F277 PolarHBondContact O-N 3.18Å; Y273-M289 HydrophobicContact CD2-CE 4.04Å; Y273-M289 HydrophobicContact CD2-SD 4.43Å; Y273-M289 HydrophobicContact CG-CE 4.43Å
274E98Very high97.5Very high129 Ų12958.1 Ų58.160%0.60330%0.296SS*.Hα-helixtrans-60.8-47.5177.8-173176.7-166.300111.2D272 F277 R278 F286D272-E274 PolarHBondContact O-N 2.83Å; E274-F277 PolarHBondContact O-N 3.06Å; E274-R278 WeakPolarHBondContact O-CB 3.37Å; E274-R278 PolarHBondContact O-N 2.92Å; E274-R278 VanDerWaalsContact O-N 3.09Å; E274-F286 HydrophobicContact CB-CD1 4.34Å; E274-F286 HydrophobicContact CB-CD2 3.99Å; E274-F286 HydrophobicContact CB-CE1 4.04Å; E274-F286 HydrophobicContact CB-CE2 3.66Å; E274-F286 HydrophobicContact CB-CG 4.31Å; E274-F286 HydrophobicContact CB-CZ 3.69Å; E274-F286 HydrophobicContact CG-CD1 4.11Å; E274-F286 HydrophobicContact CG-CE1 3.92Å; E274-F286 HydrophobicContact CG-CE2 4.43Å; E274-F286 HydrophobicContact CG-CG 4.45Å; E274-F286 HydrophobicContact CG-CZ 4.09Å
275R98.1Very high97.6Very high104 Ų10454.4 Ų54.439%0.39227%0.272SS..Hα-helixtrans-63.1-46.6175.6170.9169.3-173.4-178.93.2111.2T266 Y268 D272 Y273 F277 R278 D279T266-R275 VanDerWaalsContact CG2-CZ 3.4Å; T266-R275 VanDerWaalsContact CG2-NH2 3.3Å; T266-R275 PolarHBondContact OG1-NH2 3.45Å; Y268-R275 HydrophobicContact CD1-CG 4.38Å; Y268-R275 HydrophobicContact CE1-CG 3.94Å; D272-R275 PolarHBondContact O-N 2.83Å; Y273-R275 PolarHBondContact O-N 2.87Å; R275-F277 PolarHBondContact O-N 3.16Å; R275-R278 PolarHBondContact O-N 2.86Å; R275-D279 VanDerWaalsContact CG-OD2 3.26Å; R275-D279 WeakPolarHBondContact CG-OD2 3.12Å; R275-D279 IonicContact NE-OD2 2.78Å; R275-D279 PolarHBondContact NE-OD2 3.04Å; R275-D279 WeakPolarHBondContact O-CB 3.32Å; R275-D279 PolarHBondContact O-N 2.7Å
276F98.3Very high97.7Very high1 Ų151 Ų510%0.00425%0.247CC..Hα-helixtrans-53.8-53.1176.9164.4-102.3000111.6L215 E218 A219 I261 Y268 D272 Y273 R278 D279 V280 F334L215-F276 HydrophobicContact CD1-CD1 3.87Å; L215-F276 HydrophobicContact CD1-CD2 4.38Å; L215-F276 HydrophobicContact CD1-CE1 3.5Å; L215-F276 VanDerWaalsContact CD1-CE1 3.5Å; L215-F276 HydrophobicContact CD1-CE2 4.05Å; L215-F276 HydrophobicContact CD1-CG 4.3Å; L215-F276 HydrophobicContact CD1-CZ 3.59Å; L215-F276 HydrophobicContact CG-CZ 4.37Å; E218-F276 HydrophobicContact CB-CE1 3.9Å; E218-F276 HydrophobicContact CB-CZ 3.94Å; A219-F276 HydrophobicContact CB-CE2 3.95Å; A219-F276 HydrophobicContact CB-CZ 3.97Å; I261-F276 HydrophobicContact CD1-CD2 3.66Å; I261-F276 HydrophobicContact CD1-CE2 3.32Å; I261-F276 HydrophobicContact CD1-CZ 4.2Å; Y268-F276 HydrophobicContact CD1-CB 3.73Å; Y268-F276 HydrophobicContact CD1-CD2 4.43Å; Y268-F276 HydrophobicContact CE1-CB 4.2Å; Y268-F276 HydrophobicContact CG-CB 4.37Å; Y268-F276 HydrophobicContact CG-CD2 4.47Å; D272-F276 WeakPolarHBondContact O-CB 3.2Å; D272-F276 PolarHBondContact O-N 3.19Å; Y273-F276 PolarHBondContact O-N 3.41Å; F276-R278 VanDerWaalsContact C-N 3.32Å; F276-R278 PolarHBondContact O-N 2.86Å; F276-D279 PolarHBondContact O-N 2.9Å; F276-V280 HydrophobicContact CD2-CG1 4.06Å; F276-V280 HydrophobicContact CE2-CG1 3.66Å; F276-V280 HydrophobicContact CZ-CG1 4.11Å; F276-V280 HydrophobicContact CZ-CG2 4.42Å; F276-V280 WeakPolarHBondContact O-CG1 3.46Å; F276-V280 WeakPolarHBondContact O-CG2 3.44Å; F276-V280 PolarHBondContact O-N 3.21Å; F276-F334 HydrophobicContact CD2-CZ 4.02Å; F276-F334 HydrophobicContact CE2-CE2 4.4Å; F276-F334 AromaticContact CE2-CZ 3.88Å; F276-F334 HydrophobicContact CE2-CZ 3.88Å
277F98.4Very high97.7Very high0 Ų052.8 Ų52.80%025%0.254CS..Hα-helixtrans-65.5-34.4-177.5-84.1-65.3000112.9E218 L248 Y273 E274 R275 V280 N281 Y282 S283 F286 M289E218-F277 HydrophobicContact CB-CE1 4.19Å; E218-F277 HydrophobicContact CG-CE1 4.05Å; E218-F277 HydrophobicContact CG-CZ 4.07Å; L248-F277 HydrophobicContact CD1-CE2 3.75Å; L248-F277 HydrophobicContact CD1-CZ 3.76Å; Y273-F277 WeakPolarHBondContact O-CB 3.22Å; Y273-F277 WeakPolarHBondContact O-CD2 3.36Å; Y273-F277 PolarHBondContact O-N 3.18Å; E274-F277 PolarHBondContact O-N 3.06Å; R275-F277 PolarHBondContact O-N 3.16Å; F277-V280 HydrophobicContact CD1-CG2 4.5Å; F277-N281 PolarHBondContact O-N 3.01Å; F277-Y282 HydrophobicContact CD1-CD1 4.12Å; F277-Y282 VanDerWaalsContact CD1-O 3.3Å; F277-Y282 WeakPolarHBondContact CD1-O 3.44Å; F277-Y282 HydrophobicContact CE1-CD1 4.13Å; F277-Y282 CarbonylContact O-C 3.58Å; F277-Y282 VanDerWaalsContact O-C 3.25Å; F277-Y282 WeakPolarHBondContact O-CA 3.44Å; F277-Y282 PolarHBondContact O-N 3.31Å; F277-S283 PolarHBondContact O-N 3.41Å; F277-F286 HydrophobicContact CB-CB 3.79Å; F277-F286 VanDerWaalsContact CD2-CA 3.44Å; F277-F286 HydrophobicContact CD2-CB 3.6Å; F277-F286 HydrophobicContact CD2-CD2 4.17Å; F277-F286 HydrophobicContact CD2-CG 4.4Å; F277-F286 HydrophobicContact CE2-CB 4.42Å; F277-F286 HydrophobicContact CG-CB 3.89Å; F277-M289 HydrophobicContact CE2-CB 4.38Å
278R98.1Very high97.7Very high137 Ų13748.7 Ų48.752%0.51723%0.232SC..Hα-helixtrans-64.2-49.2171-178.6-172.564.4-143.10.6111.5E274 R275 F276 V280 N281E274-R278 WeakPolarHBondContact O-CB 3.37Å; E274-R278 PolarHBondContact O-N 2.92Å; E274-R278 VanDerWaalsContact O-N 3.09Å; R275-R278 PolarHBondContact O-N 2.86Å; F276-R278 VanDerWaalsContact C-N 3.32Å; F276-R278 PolarHBondContact O-N 2.86Å; R278-V280 VanDerWaalsContact C-N 3.27Å; R278-V280 PolarHBondContact O-N 3.47Å; R278-N281 WeakPolarHBondContact O-CA 3.37Å; R278-N281 PolarHBondContact O-N 2.93Å
279D97.7Very high97.6Very high58 Ų5849 Ų4931%0.3123%0.234SC..Hα-helixtrans-70.7-22.7-173.1-63.7-2.9000111.7Y268 R275 F276 N281Y268-D279 HydrophobicContact CE1-CB 4.27Å; Y268-D279 WeakPolarHBondContact OH-CB 3.35Å; Y268-D279 PolarHBondContact OH-OD2 2.88Å; Y268-D279 VanDerWaalsContact OH-OD2 3.1Å; R275-D279 VanDerWaalsContact CG-OD2 3.26Å; R275-D279 WeakPolarHBondContact CG-OD2 3.12Å; R275-D279 IonicContact NE-OD2 2.78Å; R275-D279 PolarHBondContact NE-OD2 3.04Å; R275-D279 WeakPolarHBondContact O-CB 3.32Å; R275-D279 PolarHBondContact O-N 2.7Å; F276-D279 PolarHBondContact O-N 2.9Å; D279-N281 VanDerWaalsContact C-N 3.34Å
280V97Very high97.5Very high5 Ų551.1 Ų51.13%0.0325%0.249CC..THydrogen-bonded Turntrans-90.59.6169.9-53.50000114.7R239 F276 F277 R278 Y282 F334 P335R239-V280 PolarHBondContact NH1-O 3.29Å; R239-V280 PolarHBondContact NH2-O 3.3Å; F276-V280 HydrophobicContact CD2-CG1 4.06Å; F276-V280 HydrophobicContact CE2-CG1 3.66Å; F276-V280 HydrophobicContact CZ-CG1 4.11Å; F276-V280 HydrophobicContact CZ-CG2 4.42Å; F276-V280 WeakPolarHBondContact O-CG1 3.46Å; F276-V280 WeakPolarHBondContact O-CG2 3.44Å; F276-V280 PolarHBondContact O-N 3.21Å; F277-V280 HydrophobicContact CD1-CG2 4.5Å; R278-V280 VanDerWaalsContact C-N 3.27Å; R278-V280 PolarHBondContact O-N 3.47Å; V280-Y282 PolarHBondContact O-N 3.38Å; V280-F334 HydrophobicContact CG1-CE1 3.58Å; V280-F334 HydrophobicContact CG1-CE2 4.2Å; V280-F334 HydrophobicContact CG1-CZ 3.33Å; V280-P335 HydrophobicContact CB-CB 4.18Å; V280-P335 HydrophobicContact CB-CG 3.93Å; V280-P335 HydrophobicContact CG1-CB 3.78Å; V280-P335 HydrophobicContact CG1-CG 4.02Å
281N97.1Very high97.4Very high147 Ų14753.2 Ų53.279%0.78626%0.26SS*.THydrogen-bonded Turntrans53.346-177.5-165.333.4000113.4F277 R278 D279F277-N281 PolarHBondContact O-N 3.01Å; R278-N281 WeakPolarHBondContact O-CA 3.37Å; R278-N281 PolarHBondContact O-N 2.93Å; D279-N281 VanDerWaalsContact C-N 3.34Å
282Y97.2Very high97.4Very high38 Ų3849.1 Ų49.115%0.14924%0.241CC..  trans-144.354.7178.6-166.2-118.6000112.4R239 F277 V280 I284 G285 M288R239-Y282 HydrophobicContact CB-CD1 4.06Å; R239-Y282 HydrophobicContact CB-CE1 3.6Å; R239-Y282 HydrophobicContact CB-CE2 4.21Å; R239-Y282 HydrophobicContact CG-CD1 3.93Å; R239-Y282 HydrophobicContact CG-CE1 3.97Å; R239-Y282 HydrophobicContact CG-CG 4.4Å; R239-Y282 WeakPolarHBondContact O-CE1 3.32Å; R239-Y282 PolarHBondContact O-OH 3.44Å; F277-Y282 HydrophobicContact CD1-CD1 4.12Å; F277-Y282 VanDerWaalsContact CD1-O 3.3Å; F277-Y282 WeakPolarHBondContact CD1-O 3.44Å; F277-Y282 HydrophobicContact CE1-CD1 4.13Å; F277-Y282 CarbonylContact O-C 3.58Å; F277-Y282 VanDerWaalsContact O-C 3.25Å; F277-Y282 WeakPolarHBondContact O-CA 3.44Å; F277-Y282 PolarHBondContact O-N 3.31Å; V280-Y282 PolarHBondContact O-N 3.38Å; Y282-I284 HydrophobicContact CE2-CB 4.17Å; Y282-I284 PolarHBondContact O-N 2.86Å; Y282-G285 VanDerWaalsContact CE1-CA 3.44Å; Y282-G285 PolarHBondContact O-N 3.1Å; Y282-M288 WeakPolarHBondContact OH-CE 3.13Å
283S97.1Very high97.1Very high63 Ų6348.5 Ų48.544%0.44124%0.235SC..Hα-helixtrans-58.5-21.4-178.9-52.10000114.3F277 G285 F286 Q287F277-S283 PolarHBondContact O-N 3.41Å; S283-G285 VanDerWaalsContact C-N 3.27Å; S283-G285 PolarHBondContact O-N 3.08Å; S283-F286 WeakPolarHBondContact O-CB 3.43Å; S283-F286 PolarHBondContact O-N 2.7Å; S283-Q287 PolarHBondContact O-N 3.3Å
284I96.7Very high96.9Very high60 Ų6052.8 Ų52.831%0.30827%0.268SS..Hα-helixtrans-61.9-34.6172.2-69.4173.7000111.4Y74 Y282 F286 Q287 M288Y74-I284 HydrophobicContact CD1-CG2 3.52Å; Y74-I284 HydrophobicContact CE1-CG2 4.16Å; Y74-I284 HydrophobicContact CG-CG2 4.02Å; Y282-I284 HydrophobicContact CE2-CB 4.17Å; Y282-I284 PolarHBondContact O-N 2.86Å; I284-F286 VanDerWaalsContact C-N 3.26Å; I284-F286 PolarHBondContact O-N 2.66Å; I284-Q287 WeakPolarHBondContact O-CA 3.41Å; I284-Q287 VanDerWaalsContact O-CB 3.26Å; I284-Q287 WeakPolarHBondContact O-CB 3.19Å; I284-Q287 PolarHBondContact O-N 2.74Å; I284-M288 HydrophobicContact CG2-CE 3.9Å; I284-M288 HydrophobicContact CG2-CG 4.36Å; I284-M288 HydrophobicContact CG2-SD 4.35Å; I284-M288 PolarHBondContact O-N 3.46Å
285G97.6Very high96.7Very high0 Ų048.6 Ų48.60%025%0.249CC..Hα-helixtrans-62.7-33.317700000112.9Y282 S283 Q287 M288 M289Y282-G285 VanDerWaalsContact CE1-CA 3.44Å; Y282-G285 PolarHBondContact O-N 3.1Å; S283-G285 VanDerWaalsContact C-N 3.27Å; S283-G285 PolarHBondContact O-N 3.08Å; G285-Q287 VanDerWaalsContact C-N 3.3Å; G285-Q287 PolarHBondContact O-N 3.2Å; G285-M288 PolarHBondContact O-N 3.41Å; G285-M289 WeakPolarHBondContact O-CB 3.11Å; G285-M289 PolarHBondContact O-N 2.98Å
286F97.5Very high96.6Very high54 Ų5444.3 Ų44.324%0.23723%0.233CC..Hα-helixtrans-65.2-36.8172.4-177.6-110.4000111.9E274 F277 S283 I284 M289 S290E274-F286 HydrophobicContact CB-CD1 4.34Å; E274-F286 HydrophobicContact CB-CD2 3.99Å; E274-F286 HydrophobicContact CB-CE1 4.04Å; E274-F286 HydrophobicContact CB-CE2 3.66Å; E274-F286 HydrophobicContact CB-CG 4.31Å; E274-F286 HydrophobicContact CB-CZ 3.69Å; E274-F286 HydrophobicContact CG-CD1 4.11Å; E274-F286 HydrophobicContact CG-CE1 3.92Å; E274-F286 HydrophobicContact CG-CE2 4.43Å; E274-F286 HydrophobicContact CG-CG 4.45Å; E274-F286 HydrophobicContact CG-CZ 4.09Å; F277-F286 HydrophobicContact CB-CB 3.79Å; F277-F286 VanDerWaalsContact CD2-CA 3.44Å; F277-F286 HydrophobicContact CD2-CB 3.6Å; F277-F286 HydrophobicContact CD2-CD2 4.17Å; F277-F286 HydrophobicContact CD2-CG 4.4Å; F277-F286 HydrophobicContact CE2-CB 4.42Å; F277-F286 HydrophobicContact CG-CB 3.89Å; S283-F286 WeakPolarHBondContact O-CB 3.43Å; S283-F286 PolarHBondContact O-N 2.7Å; I284-F286 VanDerWaalsContact C-N 3.26Å; I284-F286 PolarHBondContact O-N 2.66Å; F286-M289 HydrophobicContact CD2-CE 3.59Å; F286-M289 HydrophobicContact CE2-CE 3.49Å; F286-M289 VanDerWaalsContact CE2-CE 3.49Å; F286-M289 HydrophobicContact CZ-CE 4.48Å; F286-S290 VanDerWaalsContact O-CB 3.32Å; F286-S290 WeakPolarHBondContact O-CB 3.27Å; F286-S290 PolarHBondContact O-N 3.32Å; F286-S290 PolarHBondContact O-OG 3.21Å
287Q97.1Very high96.5Very high54 Ų5446.3 Ų46.325%0.25224%0.244SC..Hα-helixtrans-65.4-50.2176.3-66.4-175.918.600111.2Y74 R79 S283 I284 G285 M289 S290 D291Y74-Q287 HydrophobicContact CE1-CB 4.13Å; R79-Q287 VanDerWaalsContact NH1-CB 3.3Å; R79-Q287 VanDerWaalsContact NH1-CG 3.26Å; R79-Q287 PolarHBondContact NH2-O 3.21Å; R79-Q287 VanDerWaalsContact NH2-O 3.11Å; S283-Q287 PolarHBondContact O-N 3.3Å; I284-Q287 WeakPolarHBondContact O-CA 3.41Å; I284-Q287 VanDerWaalsContact O-CB 3.26Å; I284-Q287 WeakPolarHBondContact O-CB 3.19Å; I284-Q287 PolarHBondContact O-N 2.74Å; G285-Q287 VanDerWaalsContact C-N 3.3Å; G285-Q287 PolarHBondContact O-N 3.2Å; Q287-M289 VanDerWaalsContact C-N 3.33Å; Q287-M289 PolarHBondContact O-N 2.91Å; Q287-S290 PolarHBondContact O-N 2.84Å; Q287-D291 VanDerWaalsContact O-CG 3.29Å; Q287-D291 PolarHBondContact O-N 2.97Å
288M97.4Very high96.4Very high3 Ų346.5 Ų46.52%0.01525%0.245CC..Hα-helixtrans-56.8-44.5174.9-67.1170168.200112.5Y74 P242 A245 Y282 I284 G285 S292Y74-M288 HydrophobicContact CD2-CE 3.94Å; Y74-M288 HydrophobicContact CD2-CG 3.62Å; Y74-M288 HydrophobicContact CE2-CG 3.79Å; Y74-M288 HydrophobicContact CG-CE 3.7Å; Y74-M288 HydrophobicContact CG-CG 4.02Å; P242-M288 HydrophobicContact CB-CB 4.38Å; P242-M288 HydrophobicContact CB-CG 4.5Å; P242-M288 HydrophobicContact CG-CE 4.36Å; P242-M288 HydrophobicContact CG-CG 4.33Å; P242-M288 HydrophobicContact CG-SD 4.31Å; A245-M288 HydrophobicContact CB-CB 4.03Å; Y282-M288 WeakPolarHBondContact OH-CE 3.13Å; I284-M288 HydrophobicContact CG2-CE 3.9Å; I284-M288 HydrophobicContact CG2-CG 4.36Å; I284-M288 HydrophobicContact CG2-SD 4.35Å; I284-M288 PolarHBondContact O-N 3.46Å; G285-M288 PolarHBondContact O-N 3.41Å; M288-S292 WeakPolarHBondContact O-CB 3.38Å; M288-S292 PolarHBondContact O-N 3.39Å; M288-S292 PolarHBondContact O-OG 3.03Å
289M96.7Very high96.2Very high15 Ų1541.9 Ų41.97%0.07423%0.231CC..Hα-helixtrans-60.9-49.9176.2-176.1-78.4-61.200110.3A245 L248 Y273 F277 G285 F286 Q287 D291 S292 K293A245-M289 HydrophobicContact CB-CB 4.07Å; L248-M289 HydrophobicContact CD1-CB 4.45Å; L248-M289 HydrophobicContact CD1-CG 3.95Å; Y273-M289 HydrophobicContact CD2-CE 4.04Å; Y273-M289 HydrophobicContact CD2-SD 4.43Å; Y273-M289 HydrophobicContact CG-CE 4.43Å; F277-M289 HydrophobicContact CE2-CB 4.38Å; G285-M289 WeakPolarHBondContact O-CB 3.11Å; G285-M289 PolarHBondContact O-N 2.98Å; F286-M289 HydrophobicContact CD2-CE 3.59Å; F286-M289 HydrophobicContact CE2-CE 3.49Å; F286-M289 VanDerWaalsContact CE2-CE 3.49Å; F286-M289 HydrophobicContact CZ-CE 4.48Å; Q287-M289 VanDerWaalsContact C-N 3.33Å; Q287-M289 PolarHBondContact O-N 2.91Å; M289-D291 VanDerWaalsContact C-N 3.3Å; M289-D291 PolarHBondContact O-N 2.95Å; M289-S292 PolarHBondContact O-N 3.14Å; M289-S292 VanDerWaalsContact O-N 3.16Å; M289-S292 PolarHBondContact O-OG 3.43Å; M289-K293 VanDerWaalsContact O-CB 3.22Å; M289-K293 WeakPolarHBondContact O-CB 3.35Å; M289-K293 PolarHBondContact O-N 3.23Å; M289-K293 HydrophobicContact SD-CB 3.81Å; M289-K293 HydrophobicContact SD-CD 4.37Å; M289-K293 HydrophobicContact SD-CG 4.05Å
290S96.4Very high96.1Very high49 Ų4944.8 Ų44.834%0.34324%0.242SC..Hα-helixtrans-61.4-37.6-177.7-590000112.6F286 Q287 S292F286-S290 VanDerWaalsContact O-CB 3.32Å; F286-S290 WeakPolarHBondContact O-CB 3.27Å; F286-S290 PolarHBondContact O-N 3.32Å; F286-S290 PolarHBondContact O-OG 3.21Å; Q287-S290 PolarHBondContact O-N 2.84Å; S290-S292 VanDerWaalsContact C-N 3.32Å; S290-S292 PolarHBondContact O-N 3.48Å
291D96.1Very high96Very high45 Ų4546.8 Ų46.824%0.24125%0.251CS..Hα-helixtrans-70.1-28.1178.8-67.5-20.2000113.4Y74 R79 N145 Q287 M289 I295Y74-D291 PolarHBondContact OH-OD2 3.35Å; R79-D291 IonicContact CZ-OD1 3.2Å; R79-D291 VanDerWaalsContact CZ-OD1 3.31Å; R79-D291 IonicContact CZ-OD2 2.85Å; R79-D291 IonicContact NE-OD1 2.87Å; R79-D291 PolarHBondContact NE-OD1 2.93Å; R79-D291 VanDerWaalsContact NE-OD1 3.08Å; R79-D291 IonicContact NE-OD2 3.77Å; R79-D291 PolarHBondContact NE-OD2 2.8Å; R79-D291 IonicContact NH2-OD1 2.78Å; R79-D291 PolarHBondContact NH2-OD1 3.39Å; R79-D291 IonicContact NH2-OD2 2.76Å; R79-D291 PolarHBondContact NH2-OD2 2.93Å; R79-D291 VanDerWaalsContact NH2-OD2 3.14Å; N145-D291 PolarHBondContact ND2-O 2.9Å; Q287-D291 VanDerWaalsContact O-CG 3.29Å; Q287-D291 PolarHBondContact O-N 2.97Å; M289-D291 VanDerWaalsContact C-N 3.3Å; M289-D291 PolarHBondContact O-N 2.95Å; D291-I295 WeakPolarHBondContact O-CG2 2.91Å
292S96.1Very high95.9Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-105.5-26.8-171.459.30000113.7F246 M288 M289 S290 S294 I295F246-S292 VanDerWaalsContact CD2-O 3.27Å; F246-S292 WeakPolarHBondContact CD2-O 3.35Å; F246-S292 WeakPolarHBondContact CE2-O 3.28Å; M288-S292 WeakPolarHBondContact O-CB 3.38Å; M288-S292 PolarHBondContact O-N 3.39Å; M288-S292 PolarHBondContact O-OG 3.03Å; M289-S292 PolarHBondContact O-N 3.14Å; M289-S292 VanDerWaalsContact O-N 3.16Å; M289-S292 PolarHBondContact O-OG 3.43Å; S290-S292 VanDerWaalsContact C-N 3.32Å; S290-S292 PolarHBondContact O-N 3.48Å; S292-S294 PolarHBondContact O-N 3.06Å; S292-I295 VanDerWaalsContact O-CD1 3.28Å; S292-I295 WeakPolarHBondContact O-CD1 3.26Å; S292-I295 WeakPolarHBondContact O-CG1 3.46Å; S292-I295 VanDerWaalsContact O-CG2 3.3Å; S292-I295 WeakPolarHBondContact O-CG2 3.48Å; S292-I295 PolarHBondContact O-N 3.08Å
293K93.2Very high95.7Very high42 Ų4241.3 Ų41.318%0.18323%0.229CC..Hα-helixtrans-62.8-38.1-168.8-168.766.6167.5-161.30113.9L248 P249 M289L248-K293 PolarHBondContact O-NZ 2.61Å; P249-K293 VanDerWaalsContact C-NZ 3.28Å; P249-K293 PolarHBondContact O-NZ 3.05Å; M289-K293 VanDerWaalsContact O-CB 3.22Å; M289-K293 WeakPolarHBondContact O-CB 3.35Å; M289-K293 PolarHBondContact O-N 3.23Å; M289-K293 HydrophobicContact SD-CB 3.81Å; M289-K293 HydrophobicContact SD-CD 4.37Å; M289-K293 HydrophobicContact SD-CG 4.05Å
294S92.5Very high95.6Very high105 Ų10541 Ų4173%0.73422%0.223SC*.THydrogen-bonded Turntrans-92.23-174.760.50000114.3S292 I296S292-S294 PolarHBondContact O-N 3.06Å; S294-I296 PolarHBondContact O-N 3.06Å
295I94.7Very high95.5Very high41 Ų4138.6 Ų38.621%0.2121%0.21CC..SBendtrans-68.6-25.9-174.672.8-169.9000112.2P144 N145 F246 D291 S292P144-I295 HydrophobicContact CB-CD1 3.7Å; P144-I295 HydrophobicContact CG-CD1 3.67Å; N145-I295 HydrophobicContact CB-CD1 4.48Å; N145-I295 HydrophobicContact CB-CG2 3.9Å; F246-I295 HydrophobicContact CD2-CD1 4.24Å; F246-I295 HydrophobicContact CE2-CD1 3.76Å; F246-I295 HydrophobicContact CE2-CG1 3.94Å; F246-I295 HydrophobicContact CZ-CD1 4.08Å; F246-I295 HydrophobicContact CZ-CG1 4.38Å; D291-I295 WeakPolarHBondContact O-CG2 2.91Å; S292-I295 VanDerWaalsContact O-CD1 3.28Å; S292-I295 WeakPolarHBondContact O-CD1 3.26Å; S292-I295 WeakPolarHBondContact O-CG1 3.46Å; S292-I295 VanDerWaalsContact O-CG2 3.3Å; S292-I295 WeakPolarHBondContact O-CG2 3.48Å; S292-I295 PolarHBondContact O-N 3.08Å
296I95.3Very high95Very high13 Ų1345.5 Ų45.57%0.06725%0.248CC..  trans-140.1140.1170.558.5173.1000110.5K180 M183 Y184 F246 S294 T298K180-I296 HydrophobicContact CB-CD1 3.87Å; K180-I296 HydrophobicContact CD-CD1 4.46Å; K180-I296 HydrophobicContact CG-CD1 4.32Å; K180-I296 WeakPolarHBondContact O-CD1 3.39Å; M183-I296 HydrophobicContact CB-CD1 4.46Å; Y184-I296 HydrophobicContact CD2-CG2 3.33Å; Y184-I296 HydrophobicContact CE2-CG2 4.4Å; Y184-I296 HydrophobicContact CG-CG2 3.89Å; F246-I296 HydrophobicContact CE2-CG1 4.38Å; F246-I296 HydrophobicContact CZ-CD1 4.04Å; F246-I296 HydrophobicContact CZ-CG1 4Å; S294-I296 PolarHBondContact O-N 3.06Å; I296-T298 HydrophobicContact CD1-CG2 3.39Å; I296-T298 HydrophobicContact CG1-CG2 3.84Å; I296-T298 PolarHBondContact O-N 3.19Å
297D96.2Very high94.8Very high43 Ų4345.8 Ų45.823%0.2325%0.25CC..  trans-87.2104.8161.3-164.1-12.7000110.1K187 R252 L299K187-D297 PolarHBondContact NZ-O 2.77Å; R252-D297 IonicContact CZ-OD1 3.23Å; R252-D297 IonicContact CZ-OD2 3.08Å; R252-D297 IonicContact NH1-OD1 3.38Å; R252-D297 PolarHBondContact NH1-OD1 3.15Å; R252-D297 IonicContact NH1-OD2 3.87Å; R252-D297 PolarHBondContact NH1-OD2 3.09Å; R252-D297 IonicContact NH2-OD1 3.55Å; R252-D297 PolarHBondContact NH2-OD1 3Å; R252-D297 IonicContact NH2-OD2 3.31Å; D297-L299 VanDerWaalsContact C-N 3.3Å; D297-L299 WeakPolarHBondContact OD1-CB 3.49Å; D297-L299 PolarHBondContact OD1-N 2.77Å
298T95.9Very high94.8Very high4 Ų443.2 Ų43.23%0.02524%0.238CC..THydrogen-bonded Turntrans-81.4-5.1175.544.80000113.7K180 M183 L208 I296 E300 W361K180-T298 HydrophobicContact CD-CG2 4.09Å; K180-T298 HydrophobicContact CG-CG2 4.01Å; M183-T298 HydrophobicContact CE-CG2 4.26Å; M183-T298 HydrophobicContact SD-CG2 4.15Å; L208-T298 HydrophobicContact CD2-CG2 4.41Å; L208-T298 VanDerWaalsContact O-CB 3.29Å; L208-T298 WeakPolarHBondContact O-CB 3.47Å; L208-T298 PolarHBondContact O-OG1 2.83Å; I296-T298 HydrophobicContact CD1-CG2 3.39Å; I296-T298 HydrophobicContact CG1-CG2 3.84Å; I296-T298 PolarHBondContact O-N 3.19Å; T298-E300 VanDerWaalsContact C-N 3.25Å; T298-W361 VanDerWaalsContact O-CZ2 3.31Å; T298-W361 WeakPolarHBondContact O-CZ2 3.17Å
299L95.6Very high94.8Very high41 Ų4144.8 Ų44.822%0.21524%0.244CC..THydrogen-bonded Turntrans-78.8-16.3172.6-56.1-170.1000111.8R252 L253 D297 V357 W361R252-L299 HydrophobicContact CB-CD1 3.91Å; R252-L299 VanDerWaalsContact CZ-CD1 3.43Å; L253-L299 HydrophobicContact CD1-CD2 4.07Å; L253-L299 HydrophobicContact CD2-CD2 4.08Å; L253-L299 HydrophobicContact CG-CD2 4.18Å; D297-L299 VanDerWaalsContact C-N 3.3Å; D297-L299 WeakPolarHBondContact OD1-CB 3.49Å; D297-L299 PolarHBondContact OD1-N 2.77Å; L299-V357 HydrophobicContact CB-CG1 4.48Å; L299-V357 HydrophobicContact CD2-CB 4.42Å; L299-V357 HydrophobicContact CD2-CG1 3.52Å; L299-V357 HydrophobicContact CD2-CG2 3.96Å; L299-W361 PolarHBondContact O-NE1 3.16Å
300E94.4Very high94.9Very high118 Ų11844.2 Ų44.255%0.55124%0.241SC*.SBendtrans-106.9135.3179.4-64.4-177.5163.200112.4K187 T298K187-E300 WeakPolarHBondContact CE-O 3.4Å; K187-E300 PolarHBondContact NZ-O 2.83Å; K187-E300 IonicContact NZ-OE2 2.7Å; T298-E300 VanDerWaalsContact C-N 3.25Å
301K94.7Very high95Very high48 Ų4841.9 Ų41.921%0.20923%0.225CC..PPolyproline II helixtrans-57.8140.7174-165.5-169.5170.3179.20110.6S303 I305 D306 I308 W361 P362K301-S303 PolarHBondContact O-N 3Å; K301-I305 WeakPolarHBondContact CE-O 3.43Å; K301-I305 PolarHBondContact NZ-O 3.49Å; K301-D306 PolarHBondContact NZ-O 3.22Å; K301-I308 HydrophobicContact CD-CD1 4.17Å; K301-I308 VanDerWaalsContact CE-CD1 3.45Å; K301-I308 HydrophobicContact CG-CD1 3.63Å; K301-W361 HydrophobicContact CB-CB 3.88Å; K301-W361 HydrophobicContact CB-CD2 3.89Å; K301-W361 HydrophobicContact CB-CE3 4.29Å; K301-W361 HydrophobicContact CB-CG 3.69Å; K301-W361 HydrophobicContact CD-CB 4.32Å; K301-W361 HydrophobicContact CG-CB 4.1Å; K301-W361 HydrophobicContact CG-CD2 4.17Å; K301-W361 HydrophobicContact CG-CE3 4.07Å; K301-W361 HydrophobicContact CG-CG 4.2Å; K301-P362 PolarHBondContact NZ-O 3.32Å; K301-P362 VanDerWaalsContact NZ-O 3.14Å
302P95.3Very high95.2Very high0 Ų039.8 Ų39.80%021%0.214CC..PPolyproline II helixtrans-55.3131.1161.8-22.734000110.5M183 L186 K187 I305 I308M183-P302 HydrophobicContact CB-CG 4.44Å; M183-P302 HydrophobicContact CE-CG 4.42Å; M183-P302 HydrophobicContact CG-CG 4.09Å; L186-P302 HydrophobicContact CB-CB 4.02Å; L186-P302 HydrophobicContact CB-CG 4.44Å; L186-P302 HydrophobicContact CD1-CG 4.48Å; K187-P302 HydrophobicContact CG-CB 4.41Å; P302-I305 HydrophobicContact CB-CD1 4.14Å; P302-I308 HydrophobicContact CB-CD1 4.37Å; P302-I308 HydrophobicContact CG-CD1 4.14Å
303S94.1Very high95.3Very high69 Ų6939.8 Ų39.848%0.48321%0.214SC..SBendtrans-69.3162.5178.371.40000111.5K194 K301 I305K194-S303 PolarHBondContact NZ-O 2.84Å; K194-S303 PolarHBondContact NZ-OG 3.32Å; K301-S303 PolarHBondContact O-N 3Å; S303-I305 PolarHBondContact O-N 3.35Å; S303-I305 VanDerWaalsContact O-N 3.16Å
304D94.6Very high95.5Very high56 Ų5638 Ų3830%0.29921%0.206SC..SBendtrans54.435.6169.7-38.8-75.8000114.9K191 K194K191-D304 HydrophobicContact CB-CB 4.2Å; K191-D304 HydrophobicContact CD-CB 4.34Å; K191-D304 VanDerWaalsContact CD-OD1 3.3Å; K191-D304 WeakPolarHBondContact CD-OD1 3.5Å; K191-D304 HydrophobicContact CG-CB 3.88Å; K191-D304 IonicContact NZ-OD1 3.54Å; K194-D304 IonicContact NZ-OD2 2.71Å; K194-D304 PolarHBondContact NZ-OD2 3.06Å
305I93.7Very high95.8Very high10 Ų1038.2 Ų38.25%0.05120%0.199CC..  trans-127.4113.6164.8-52.3178.8000106.4L186 K194 I198 F201 K301 P302 S303 E307 I308L186-I305 HydrophobicContact CB-CD1 4.13Å; L186-I305 HydrophobicContact CD1-CD1 3.5Å; L186-I305 VanDerWaalsContact CD1-CD1 3.5Å; L186-I305 HydrophobicContact CD2-CD1 3.7Å; L186-I305 HydrophobicContact CG-CD1 3.94Å; K194-I305 HydrophobicContact CD-CG1 4.2Å; I198-I305 HydrophobicContact CG2-CD1 4.49Å; F201-I305 HydrophobicContact CB-CD1 4.37Å; K301-I305 WeakPolarHBondContact CE-O 3.43Å; K301-I305 PolarHBondContact NZ-O 3.49Å; P302-I305 HydrophobicContact CB-CD1 4.14Å; S303-I305 PolarHBondContact O-N 3.35Å; S303-I305 VanDerWaalsContact O-N 3.16Å; I305-E307 VanDerWaalsContact CG2-O 3.26Å; I305-E307 WeakPolarHBondContact CG2-O 3.37Å; I305-I308 HydrophobicContact CB-CD1 4.29Å; I305-I308 HydrophobicContact CB-CG1 4.16Å; I305-I308 HydrophobicContact CG2-CG1 3.92Å
306D87.9Confident95.9Very high146 Ų14638.5 Ų38.578%0.78120%0.201SC*.SBendtrans-61.1-50.5-172.8-64.9-27.9000110.5K301K301-D306 PolarHBondContact NZ-O 3.22Å
307E92Very high96Very high60 Ų6042.3 Ų42.328%0.2823%0.229SC..  trans-114.8129.2-179.1-59.9-167.6129.900111.3K199 T200 I305 Y309 K365K199-E307 IonicContact NZ-OE2 2.72Å; T200-E307 PolarHBondContact OG1-O 3.22Å; I305-E307 VanDerWaalsContact CG2-O 3.26Å; I305-E307 WeakPolarHBondContact CG2-O 3.37Å; E307-Y309 HydrophobicContact CB-CE2 4.26Å; E307-K365 WeakPolarHBondContact OE1-CE 3.43Å; E307-K365 IonicContact OE1-NZ 3.57Å
308I97.6Very high96.1Very high0 Ų040.3 Ų40.30%022%0.218CC..EExtended strand (participates in β ladder)trans-127.5134.4168.5-60.7-174000107.1F201 K301 P302 I305 W361 I364 K365F201-I308 HydrophobicContact CB-CG1 4.29Å; F201-I308 HydrophobicContact CB-CG2 4.39Å; F201-I308 HydrophobicContact CD1-CD1 4.43Å; F201-I308 HydrophobicContact CD1-CG2 3.85Å; F201-I308 CarbonylContact O-C 3.44Å; F201-I308 WeakPolarHBondContact O-CA 3.28Å; F201-I308 WeakPolarHBondContact O-CG2 3.13Å; K301-I308 HydrophobicContact CD-CD1 4.17Å; K301-I308 VanDerWaalsContact CE-CD1 3.45Å; K301-I308 HydrophobicContact CG-CD1 3.63Å; P302-I308 HydrophobicContact CB-CD1 4.37Å; P302-I308 HydrophobicContact CG-CD1 4.14Å; I305-I308 HydrophobicContact CB-CD1 4.29Å; I305-I308 HydrophobicContact CB-CG1 4.16Å; I305-I308 HydrophobicContact CG2-CG1 3.92Å; I308-W361 HydrophobicContact CG2-CE3 4.49Å; I308-W361 HydrophobicContact CG2-CZ3 4.25Å; I308-I364 HydrophobicContact CB-CD1 3.81Å; I308-I364 HydrophobicContact CG2-CD1 3.65Å; I308-I364 WeakPolarHBondContact O-CD1 3.36Å; I308-K365 PolarHBondContact O-N 2.82Å
309Y98.5Very high96.1Very high36 Ų3641 Ų4114%0.14122%0.222CC..EExtended strand (participates in β ladder)trans-99.8123.3176-67.9-107.6000108.3T200 F201 S203 E307 K365 F367 I390T200-Y309 HydrophobicContact CG2-CD2 4.43Å; T200-Y309 HydrophobicContact CG2-CE2 4.32Å; T200-Y309 VanDerWaalsContact OG1-CD2 3.27Å; T200-Y309 WeakPolarHBondContact OG1-CD2 3.3Å; T200-Y309 WeakPolarHBondContact OG1-CE2 3.32Å; F201-Y309 PolarHBondContact O-N 3.41Å; S203-Y309 PolarHBondContact N-O 3.5Å; E307-Y309 HydrophobicContact CB-CE2 4.26Å; Y309-K365 CarbonylContact C-O 3.53Å; Y309-K365 VanDerWaalsContact CA-O 3.3Å; Y309-K365 WeakPolarHBondContact CA-O 3.1Å; Y309-K365 HydrophobicContact CD1-CB 3.7Å; Y309-K365 HydrophobicContact CD1-CG 4.32Å; Y309-K365 HydrophobicContact CD2-CB 4.47Å; Y309-K365 HydrophobicContact CE1-CB 3.84Å; Y309-K365 HydrophobicContact CE1-CG 4.03Å; Y309-K365 HydrophobicContact CE2-CG 4.27Å; Y309-K365 HydrophobicContact CG-CB 4.02Å; Y309-F367 HydrophobicContact CD1-CD2 4.28Å; Y309-F367 AromaticContact CD1-CE2 3.6Å; Y309-F367 HydrophobicContact CD1-CE2 3.6Å; Y309-F367 HydrophobicContact CD1-CZ 4.48Å; Y309-F367 AromaticContact CE1-CE2 3.98Å; Y309-F367 HydrophobicContact CE1-CE2 3.98Å; Y309-F367 HydrophobicContact CE1-CZ 4.48Å; Y309-I390 HydrophobicContact CD1-CD1 3.4Å; Y309-I390 HydrophobicContact CD1-CG1 3.94Å; Y309-I390 HydrophobicContact CD2-CD1 4.11Å; Y309-I390 HydrophobicContact CE1-CD1 3.68Å; Y309-I390 HydrophobicContact CE1-CG1 3.64Å; Y309-I390 HydrophobicContact CE2-CD1 4.36Å; Y309-I390 HydrophobicContact CE2-CG1 4.27Å; Y309-I390 HydrophobicContact CG-CD1 3.65Å; Y309-I390 HydrophobicContact CG-CG1 4.38Å
310C98.5Very high96.1Very high3 Ų340.7 Ų40.72%0.0222%0.221CC..EExtended strand (participates in β ladder)trans-110.4112.8171.6-171.30000108.3C358 I364 K365 Y366 F367C310-C358 HydrophobicContact CB-CB 3.6Å; C310-C358 WeakPolarHBondContact CB-SG 3.38Å; C310-C358 WeakPolarHBondContact SG-CB 3.32Å; C310-C358 CovalentContact SG-SG 2.02Å; C310-C358 PolarHBondContact SG-SG 2.75Å; C310-I364 HydrophobicContact CB-CD1 3.69Å; C310-I364 HydrophobicContact CB-CG1 3.73Å; C310-K365 PolarHBondContact N-O 2.9Å; C310-Y366 HydrophobicContact CB-CD2 4.12Å; C310-Y366 WeakPolarHBondContact O-CA 3.44Å; C310-F367 PolarHBondContact O-N 3.14Å
311I98.7Very high96.3Very high0 Ų037.7 Ų37.70%021%0.206CC..EExtended strand (participates in β ladder)trans-127.2127.8-171.7-48.9177.4000108V202 S203 L204 S205 F367 L369 F383 I386V202-I311 HydrophobicContact CG1-CD1 3.79Å; V202-I311 HydrophobicContact CG1-CG1 4.47Å; S203-I311 PolarHBondContact O-N 3.01Å; L204-I311 CarbonylContact C-O 3.54Å; L204-I311 WeakPolarHBondContact CA-O 3.48Å; L204-I311 HydrophobicContact CD1-CB 3.81Å; L204-I311 HydrophobicContact CD1-CG2 3.79Å; S205-I311 PolarHBondContact N-O 2.89Å; I311-F367 WeakPolarHBondContact CA-O 3.35Å; I311-F367 HydrophobicContact CB-CB 4.43Å; I311-F367 HydrophobicContact CG1-CB 4.15Å; I311-F367 HydrophobicContact CG1-CD2 4.13Å; I311-F367 HydrophobicContact CG1-CG 4.5Å; I311-F367 HydrophobicContact CG2-CB 4.12Å; I311-L369 HydrophobicContact CG2-CD1 4Å; I311-L369 HydrophobicContact CG2-CG 4.28Å; I311-F383 HydrophobicContact CD1-CD2 4.2Å; I311-F383 HydrophobicContact CD1-CE2 4.24Å; I311-F383 HydrophobicContact CG2-CD2 4.27Å; I311-I386 HydrophobicContact CD1-CG2 3.66Å
312H98.7Very high96.4Very high1 Ų135.4 Ų35.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-155.7163.717662.682.7000113.6L355 Y366 F367 V368 L369H312-L355 HydrophobicContact CB-CB 4.23Å; H312-L355 HydrophobicContact CB-CD1 4.15Å; H312-L355 HydrophobicContact CB-CD2 3.83Å; H312-L355 HydrophobicContact CB-CG 4.29Å; H312-Y366 AromaticContact CD2-CE2 3.92Å; H312-Y366 PolarHBondContact CE1-OH 2.86Å; H312-Y366 AromaticContact NE2-CE2 3.31Å; H312-Y366 VanDerWaalsContact NE2-CE2 3.31Å; H312-Y366 WeakPolarHBondContact NE2-CE2 3.42Å; H312-Y366 AromaticContact NE2-CZ 3.36Å; H312-Y366 PolarHBondContact NE2-OH 2.88Å; H312-F367 PolarHBondContact N-O 2.82Å; H312-F367 VanDerWaalsContact N-O 3.14Å; H312-V368 WeakPolarHBondContact O-CA 3.5Å; H312-L369 PolarHBondContact O-N 3.19Å
313G98.5Very high96.5Very high0 Ų038.2 Ų38.20%021%0.21CC..EExtended strand (participates in β ladder)trans-71.8162.617000000113.3L369 A372G313-L369 WeakPolarHBondContact CA-O 3.36Å; G313-A372 VanDerWaalsContact CA-O 3.3Å; G313-A372 WeakPolarHBondContact CA-O 3.19Å
314A98.4Very high96.7Very high4 Ų435 Ų353%0.03319%0.188CC..EExtended strand (participates in β ladder)trans-155.4173.9171.200000110.3L316 G346 L352 V368 P370 G371A314-L316 VanDerWaalsContact C-N 3.27Å; A314-L316 PolarHBondContact O-N 3.05Å; A314-G346 CarbonylContact C-O 3.58Å; A314-G346 VanDerWaalsContact CA-O 3.24Å; A314-G346 WeakPolarHBondContact CA-O 3.37Å; A314-L352 HydrophobicContact CB-CD1 4.04Å; A314-V368 HydrophobicContact CB-CG1 3.42Å; A314-V368 VanDerWaalsContact CB-CG1 3.42Å; A314-P370 CarbonylContact O-C 3.58Å; A314-P370 WeakPolarHBondContact O-CA 3.19Å; A314-G371 PolarHBondContact O-N 2.8Å
315N98.1Very high96.8Very high110 Ų11034.6 Ų34.659%0.58819%0.189SC*.SBendtrans62.129.7176.9-60.2-13000114.2N345 G346N315-N345 WeakPolarHBondContact CA-OD1 3.28Å; N315-N345 PolarHBondContact N-OD1 3.3Å; N315-N345 PolarHBondContact OD1-ND2 3.45Å; N315-G346 PolarHBondContact N-O 3.48Å
316L97.8Very high96.9Very high47 Ų4737.8 Ų37.825%0.24621%0.211CC..EExtended strand (participates in β ladder)trans-112.4142169.2-65.7174.5000110.4A314 T318 G346 E373A314-L316 VanDerWaalsContact C-N 3.27Å; A314-L316 PolarHBondContact O-N 3.05Å; L316-T318 PolarHBondContact O-N 2.76Å; L316-T318 PolarHBondContact O-OG1 2.97Å; L316-G346 PolarHBondContact N-O 3.43Å; L316-G346 PolarHBondContact O-N 3.5Å; L316-E373 HydrophobicContact CD1-CB 3.74Å; L316-E373 HydrophobicContact CD1-CG 4.23Å
317S97.2Very high97.2Very high92 Ų9235.1 Ų35.164%0.64320%0.201SC*.EExtended strand (participates in β ladder)trans-57.7109175.4171.10000109.8P343S317-P343 WeakPolarHBondContact OG-CB 3.35Å
318T97.6Very high97.3Very high1 Ų136.2 Ų36.21%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-124.1135.2-175.8-53.20000109.6L316 D320 P343 G344 G346 D347 G348L316-T318 PolarHBondContact O-N 2.76Å; L316-T318 PolarHBondContact O-OG1 2.97Å; T318-D320 PolarHBondContact O-N 3.01Å; T318-P343 CarbonylContact O-C 3.55Å; T318-P343 WeakPolarHBondContact O-CA 3.36Å; T318-G344 PolarHBondContact N-O 3.39Å; T318-G344 PolarHBondContact O-N 3.09Å; T318-G346 WeakPolarHBondContact OG1-CA 3.36Å; T318-G346 PolarHBondContact OG1-N 3.25Å; T318-D347 PolarHBondContact OG1-N 3.41Å; T318-G348 WeakPolarHBondContact OG1-CA 3.38Å; T318-G348 PolarHBondContact OG1-N 2.85Å
319T96.1Very high97Very high19 Ų1945.3 Ų45.312%0.11725%0.249CC..EExtended strand (participates in β ladder)trans-56.1116.4-179.4-54.70000111V212 M322 L341V212-T319 WeakPolarHBondContact CB-O 3.46Å; V212-T319 HydrophobicContact CG1-CG2 3.95Å; T319-M322 HydrophobicContact CG2-CG 4.02Å; T319-L341 HydrophobicContact CG2-CB 4.42Å; T319-L341 HydrophobicContact CG2-CD2 3.96Å
320D96Very high96.5Very high34 Ų3452.2 Ų52.218%0.18228%0.28CS..EExtended strand (participates in β ladder)trans-101.9-38.5174.6-170.662.1000110.8T318 I342T318-D320 PolarHBondContact O-N 3.01Å; D320-I342 PolarHBondContact N-O 2.85Å
321K97.6Very high96Very high56 Ų5655 Ų5524%0.24329%0.292CS..EExtended strand (participates in β ladder)trans-142.2162.4176-54.4178.3-178.2174.70111.7P259 L260 I342P259-K321 WeakPolarHBondContact O-CD 3.39Å; P259-K321 WeakPolarHBondContact O-CE 3.4Å; L260-K321 CarbonylContact O-C 3.59Å; L260-K321 WeakPolarHBondContact O-CA 3.26Å; K321-I342 HydrophobicContact CB-CB 4.08Å; K321-I342 HydrophobicContact CB-CG1 4.34Å; K321-I342 PolarHBondContact N-O 3.5Å; K321-I342 PolarHBondContact O-N 3.31Å
322M97.7Very high95.7Very high0 Ų056.6 Ų56.60%031%0.309CS..EExtended strand (participates in β ladder)trans-125.5132.5175.8-64.2175.5-84.100110.3V212 L215 K216 L260 I261 I262 T319 Y324 P339 T340 L341V212-M322 HydrophobicContact CG1-CE 3.96Å; L215-M322 HydrophobicContact CB-CE 3.93Å; L215-M322 HydrophobicContact CD2-CE 3.97Å; L215-M322 HydrophobicContact CG-CE 3.89Å; K216-M322 WeakPolarHBondContact CA-SD 3.17Å; K216-M322 HydrophobicContact CB-CE 4.21Å; K216-M322 HydrophobicContact CB-SD 3.38Å; K216-M322 WeakPolarHBondContact CB-SD 3.43Å; K216-M322 HydrophobicContact CG-SD 3.83Å; L260-M322 PolarHBondContact O-N 3.08Å; I261-M322 CarbonylContact C-O 3.49Å; I261-M322 WeakPolarHBondContact CA-O 3.37Å; I261-M322 HydrophobicContact CD1-CE 3.99Å; I261-M322 HydrophobicContact CG1-CB 4.45Å; I261-M322 HydrophobicContact CG1-CE 3.48Å; I261-M322 VanDerWaalsContact CG1-CE 3.48Å; I262-M322 PolarHBondContact N-O 3.03Å; T319-M322 HydrophobicContact CG2-CG 4.02Å; M322-Y324 HydrophobicContact CB-CE2 4.06Å; M322-P339 HydrophobicContact CB-CB 4.03Å; M322-P339 HydrophobicContact CB-CG 4.21Å; M322-P339 HydrophobicContact CG-CG 4.22Å; M322-P339 HydrophobicContact SD-CG 4.21Å; M322-T340 WeakPolarHBondContact CA-O 3.44Å; M322-L341 HydrophobicContact CG-CD2 3.88Å
323I97.9Very high95.4Very high58 Ų5857.6 Ų57.630%0.29732%0.319SS..EExtended strand (participates in β ladder)trans-114.3122.5174.8-53.2-177.7000108.7I262 P339 T340 I342I262-I323 HydrophobicContact CB-CG1 4.28Å; I262-I323 HydrophobicContact CD1-CG1 4.24Å; I262-I323 HydrophobicContact CG2-CG2 4.44Å; I262-I323 WeakPolarHBondContact O-CA 3.35Å; I323-P339 CarbonylContact O-C 3.56Å; I323-P339 WeakPolarHBondContact O-CA 3.47Å; I323-P339 WeakPolarHBondContact O-CB 3.35Å; I323-T340 PolarHBondContact N-O 2.92Å; I323-T340 PolarHBondContact O-N 2.9Å; I323-I342 HydrophobicContact CD1-CD1 3.77Å; I323-I342 HydrophobicContact CD1-CG1 3.84Å; I323-I342 HydrophobicContact CG1-CD1 4.33Å; I323-I342 HydrophobicContact CG1-CG1 4.01Å
324Y97.7Very high95.3Very high3 Ų359.5 Ų59.51%0.01233%0.328CS..PPolyproline II helixtrans-101.8122.4173.6-73.4-98.1000109.1A219 S220 I261 I262 P264 M322 F334 Q337 P339A219-Y324 VanDerWaalsContact CB-OH 3.28Å; A219-Y324 WeakPolarHBondContact CB-OH 3.3Å; S220-Y324 WeakPolarHBondContact CB-OH 3.5Å; S220-Y324 PolarHBondContact OG-OH 3.11Å; I261-Y324 HydrophobicContact CG2-CD2 3.75Å; I261-Y324 HydrophobicContact CG2-CE2 3.89Å; I262-Y324 PolarHBondContact O-N 2.65Å; P264-Y324 WeakPolarHBondContact CD-O 3.49Å; M322-Y324 HydrophobicContact CB-CE2 4.06Å; Y324-F334 HydrophobicContact CD1-CB 4.1Å; Y324-F334 AromaticContact CD1-CD2 3.64Å; Y324-F334 HydrophobicContact CD1-CD2 3.64Å; Y324-F334 HydrophobicContact CD1-CG 4.37Å; Y324-F334 AromaticContact CD2-CD2 3.61Å; Y324-F334 HydrophobicContact CD2-CD2 3.61Å; Y324-F334 HydrophobicContact CD2-CE2 4.11Å; Y324-F334 AromaticContact CE1-CD2 3.78Å; Y324-F334 HydrophobicContact CE1-CD2 3.78Å; Y324-F334 HydrophobicContact CE1-CE2 4.44Å; Y324-F334 AromaticContact CE2-CD2 3.72Å; Y324-F334 HydrophobicContact CE2-CD2 3.72Å; Y324-F334 AromaticContact CE2-CE2 3.86Å; Y324-F334 HydrophobicContact CE2-CE2 3.86Å; Y324-F334 HydrophobicContact CG-CB 4.14Å; Y324-F334 AromaticContact CG-CD2 3.57Å; Y324-F334 HydrophobicContact CG-CD2 3.57Å; Y324-F334 HydrophobicContact CG-CE2 4.49Å; Y324-F334 HydrophobicContact CG-CG 4.33Å; Y324-F334 AromaticContact CZ-CD2 3.82Å; Y324-Q337 HydrophobicContact CD1-CG 3.43Å; Y324-Q337 VanDerWaalsContact CD1-CG 3.43Å; Y324-Q337 HydrophobicContact CE1-CG 3.94Å; Y324-Q337 WeakPolarHBondContact CE1-O 3.48Å; Y324-P339 HydrophobicContact CD1-CB 4.15Å; Y324-P339 HydrophobicContact CD2-CB 3.86Å; Y324-P339 HydrophobicContact CE1-CB 3.9Å; Y324-P339 HydrophobicContact CE1-CG 4.14Å; Y324-P339 HydrophobicContact CE2-CB 3.61Å; Y324-P339 HydrophobicContact CE2-CG 3.98Å; Y324-P339 HydrophobicContact CG-CB 4.12Å
325S96.2Very high95.2Very high46 Ų4659.9 Ų59.932%0.32233%0.33SS..PPolyproline II helixtrans-77.3160.8178.9-65.60000111.5Q337S325-Q337 PolarHBondContact O-NE2 3.14Å
326P96Very high95.1Very high78 Ų7858.5 Ų58.551%0.50632%0.323SS..PPolyproline II helixtrans-56146.3168.2-21.332000111.5P264 H331P264-P326 HydrophobicContact CB-CG 4.16Å; P264-P326 HydrophobicContact CG-CB 4.12Å; P264-P326 HydrophobicContact CG-CG 3.7Å; P326-H331 PolarHBondContact O-CE1 2.98Å
327P94.6Very high94.9Very high89 Ų8956.8 Ų56.858%0.57831%0.313SS*.PPolyproline II helixtrans-57.1144.1174.225.4-33.7000110.6
328N93.3Very high94.6Very high83 Ų8356.4 Ų56.444%0.44431%0.307SS..  trans-142.9-169.9171.36444.1000110F330 H331N328-F330 PolarHBondContact O-N 2.86Å; N328-F330 WeakPolarHBondContact OD1-CA 3.4Å; N328-F330 PolarHBondContact OD1-N 3.46Å; N328-H331 PolarHBondContact N-O 3.05Å; N328-H331 VanDerWaalsContact N-O 3.08Å; N328-H331 PolarHBondContact ND2-CD2 3.38Å; N328-H331 PolarHBondContact ND2-NE2 3Å; N328-H331 PolarHBondContact OD1-CD2 2.53Å; N328-H331 PolarHBondContact OD1-N 3.46Å
329F92.5Very high94.5Very high192 Ų19256.8 Ų56.884%0.84231%0.309SS*.SBendtrans-61-26.3-178.2-173.1-98.3000113.9
330F88.2Confident94.5Very high181 Ų18159.7 Ų59.779%0.79433%0.327SS*.SBendtrans-98.8-20.3-173.2-57.5-71.7000114.3N328N328-F330 PolarHBondContact O-N 2.86Å; N328-F330 WeakPolarHBondContact OD1-CA 3.4Å; N328-F330 PolarHBondContact OD1-N 3.46Å
331H87.8Confident94.5Very high61 Ų6161.5 Ų61.528%0.28234%0.336SS..SBendtrans-149.9151.2-179.964.379.4000112.8P326 N328 Q337P326-H331 PolarHBondContact O-CE1 2.98Å; N328-H331 PolarHBondContact N-O 3.05Å; N328-H331 VanDerWaalsContact N-O 3.08Å; N328-H331 PolarHBondContact ND2-CD2 3.38Å; N328-H331 PolarHBondContact ND2-NE2 3Å; N328-H331 PolarHBondContact OD1-CD2 2.53Å; N328-H331 PolarHBondContact OD1-N 3.46Å; H331-Q337 HydrophobicContact CB-CB 4.25Å; H331-Q337 PolarHBondContact CE1-OE1 2.87Å; H331-Q337 PolarHBondContact ND1-OE1 3.1Å
332G91.4Very high94.5Very high34 Ų3461.8 Ų61.835%0.35134%0.34SS..  trans-67.6177.5174.300000113.3Q337G332-Q337 VanDerWaalsContact O-CD 3.31Å; G332-Q337 PolarHBondContact O-NE2 2.85Å
333G93.5Very high94.4Very high21 Ų2165.7 Ų65.722%0.21637%0.365CS..SBendtrans-81.1-178.8172.500000111.7P335 D336G333-P335 CarbonylContact O-C 3.56Å; G333-D336 CarbonylContact O-C 3.53Å; G333-D336 PolarHBondContact O-N 2.67Å
334F96.3Very high94.4Very high40 Ų4064.1 Ų64.118%0.17536%0.363CS..THydrogen-bonded Turntrans-59.4134166.7174.9-99.8000110A219 I261 T263 Y268 F276 V280 Y324A219-F334 HydrophobicContact CB-CE2 4.17Å; I261-F334 HydrophobicContact CD1-CE2 4.37Å; I261-F334 HydrophobicContact CG2-CD2 4.38Å; I261-F334 HydrophobicContact CG2-CE2 3.88Å; I261-F334 HydrophobicContact CG2-CZ 4.44Å; T263-F334 HydrophobicContact CG2-CB 3.95Å; T263-F334 HydrophobicContact CG2-CD1 4.08Å; T263-F334 HydrophobicContact CG2-CD2 3.82Å; T263-F334 HydrophobicContact CG2-CE2 4.31Å; T263-F334 HydrophobicContact CG2-CG 3.69Å; Y268-F334 AromaticContact CE2-CE1 3.87Å; Y268-F334 HydrophobicContact CE2-CE1 3.87Å; Y268-F334 AromaticContact CE2-CZ 3.96Å; Y268-F334 HydrophobicContact CE2-CZ 3.96Å; Y268-F334 AromaticContact CZ-CE1 3.88Å; F276-F334 HydrophobicContact CD2-CZ 4.02Å; F276-F334 HydrophobicContact CE2-CE2 4.4Å; F276-F334 AromaticContact CE2-CZ 3.88Å; F276-F334 HydrophobicContact CE2-CZ 3.88Å; V280-F334 HydrophobicContact CG1-CE1 3.58Å; V280-F334 HydrophobicContact CG1-CE2 4.2Å; V280-F334 HydrophobicContact CG1-CZ 3.33Å; Y324-F334 HydrophobicContact CD1-CB 4.1Å; Y324-F334 AromaticContact CD1-CD2 3.64Å; Y324-F334 HydrophobicContact CD1-CD2 3.64Å; Y324-F334 HydrophobicContact CD1-CG 4.37Å; Y324-F334 AromaticContact CD2-CD2 3.61Å; Y324-F334 HydrophobicContact CD2-CD2 3.61Å; Y324-F334 HydrophobicContact CD2-CE2 4.11Å; Y324-F334 AromaticContact CE1-CD2 3.78Å; Y324-F334 HydrophobicContact CE1-CD2 3.78Å; Y324-F334 HydrophobicContact CE1-CE2 4.44Å; Y324-F334 AromaticContact CE2-CD2 3.72Å; Y324-F334 HydrophobicContact CE2-CD2 3.72Å; Y324-F334 AromaticContact CE2-CE2 3.86Å; Y324-F334 HydrophobicContact CE2-CE2 3.86Å; Y324-F334 HydrophobicContact CG-CB 4.14Å; Y324-F334 AromaticContact CG-CD2 3.57Å; Y324-F334 HydrophobicContact CG-CD2 3.57Å; Y324-F334 HydrophobicContact CG-CE2 4.49Å; Y324-F334 HydrophobicContact CG-CG 4.33Å; Y324-F334 AromaticContact CZ-CD2 3.82Å
335P95.7Very high94.4Very high12 Ų1267.1 Ų67.18%0.07838%0.379CS..THydrogen-bonded Turncis-98.47.62.140.1-38.2000115.2A219 R235 V280 G333 Q337A219-P335 WeakPolarHBondContact O-CB 3.46Å; R235-P335 PolarHBondContact NH1-O 2.93Å; V280-P335 HydrophobicContact CB-CB 4.18Å; V280-P335 HydrophobicContact CB-CG 3.93Å; V280-P335 HydrophobicContact CG1-CB 3.78Å; V280-P335 HydrophobicContact CG1-CG 4.02Å; G333-P335 CarbonylContact O-C 3.56Å; P335-Q337 VanDerWaalsContact C-N 3.29Å; P335-Q337 PolarHBondContact O-N 2.88Å; P335-Q337 VanDerWaalsContact O-N 3.14Å
336D95.6Very high94.5Very high82 Ų8264.9 Ų64.944%0.43936%0.364SS..SBendtrans-89.945.5-169.6-60.5-37.1000113.9R235 G333R235-D336 IonicContact CZ-OD1 3.64Å; R235-D336 IonicContact NH1-OD1 3.72Å; R235-D336 PolarHBondContact NH1-OD1 3.33Å; R235-D336 IonicContact NH2-OD1 2.91Å; R235-D336 PolarHBondContact NH2-OD1 2.95Å; G333-D336 CarbonylContact O-C 3.53Å; G333-D336 PolarHBondContact O-N 2.67Å
337Q93.5Very high94.6Very high11 Ų1161.2 Ų61.25%0.05134%0.34CS..SBendtrans-149.1162.7173.862.2179.6-50.300110.2S220 Y324 S325 H331 G332 P335 P339S220-Q337 WeakPolarHBondContact CB-O 3.37Å; Y324-Q337 HydrophobicContact CD1-CG 3.43Å; Y324-Q337 VanDerWaalsContact CD1-CG 3.43Å; Y324-Q337 HydrophobicContact CE1-CG 3.94Å; Y324-Q337 WeakPolarHBondContact CE1-O 3.48Å; S325-Q337 PolarHBondContact O-NE2 3.14Å; H331-Q337 HydrophobicContact CB-CB 4.25Å; H331-Q337 PolarHBondContact CE1-OE1 2.87Å; H331-Q337 PolarHBondContact ND1-OE1 3.1Å; G332-Q337 VanDerWaalsContact O-CD 3.31Å; G332-Q337 PolarHBondContact O-NE2 2.85Å; P335-Q337 VanDerWaalsContact C-N 3.29Å; P335-Q337 PolarHBondContact O-N 2.88Å; P335-Q337 VanDerWaalsContact O-N 3.14Å; Q337-P339 WeakPolarHBondContact O-CD 3.43Å
338V92.2Very high94.7Very high84 Ų8458.2 Ų58.251%0.50933%0.325SS..PPolyproline II helixtrans-81.1119.5169.6-179.10000108P231P231-V338 HydrophobicContact CG-CG2 4.15Å
339P95.3Very high94.8Very high8 Ų855.5 Ų55.55%0.05231%0.312CS..PPolyproline II helixtrans-73.3158.7-179.329.9-35000112S220 M322 I323 Y324 Q337 L341S220-P339 WeakPolarHBondContact OG-CD 3.43Å; M322-P339 HydrophobicContact CB-CB 4.03Å; M322-P339 HydrophobicContact CB-CG 4.21Å; M322-P339 HydrophobicContact CG-CG 4.22Å; M322-P339 HydrophobicContact SD-CG 4.21Å; I323-P339 CarbonylContact O-C 3.56Å; I323-P339 WeakPolarHBondContact O-CA 3.47Å; I323-P339 WeakPolarHBondContact O-CB 3.35Å; Y324-P339 HydrophobicContact CD1-CB 4.15Å; Y324-P339 HydrophobicContact CD2-CB 3.86Å; Y324-P339 HydrophobicContact CE1-CB 3.9Å; Y324-P339 HydrophobicContact CE1-CG 4.14Å; Y324-P339 HydrophobicContact CE2-CB 3.61Å; Y324-P339 HydrophobicContact CE2-CG 3.98Å; Y324-P339 HydrophobicContact CG-CB 4.12Å; Q337-P339 WeakPolarHBondContact O-CD 3.43Å; P339-L341 HydrophobicContact CG-CD2 3.92Å; P339-L341 PolarHBondContact O-N 3.18Å
340T96Very high95.1Very high80 Ų8046.4 Ų46.449%0.49127%0.272SS..EExtended strand (participates in β ladder)trans-71124.4160.4-570000108.9M322 I323 I342M322-T340 WeakPolarHBondContact CA-O 3.44Å; I323-T340 PolarHBondContact N-O 2.92Å; I323-T340 PolarHBondContact O-N 2.9Å; T340-I342 HydrophobicContact CG2-CD1 4.39Å
341L95.8Very high95.6Very high72 Ų7238 Ų3838%0.37724%0.235SC..EExtended strand (participates in β ladder)trans-91.5124.2178.8-53.1-179000109.4K216 T319 M322 P339K216-L341 HydrophobicContact CD-CD1 4.42Å; K216-L341 HydrophobicContact CD-CD2 3.94Å; T319-L341 HydrophobicContact CG2-CB 4.42Å; T319-L341 HydrophobicContact CG2-CD2 3.96Å; M322-L341 HydrophobicContact CG-CD2 3.88Å; P339-L341 HydrophobicContact CG-CD2 3.92Å; P339-L341 PolarHBondContact O-N 3.18Å
342I97.3Very high96Very high63 Ų6336.5 Ų36.532%0.32323%0.23SC..EExtended strand (participates in β ladder)trans-91.7118.1172.4-54.7-56.1000107.7D320 K321 I323 T340D320-I342 PolarHBondContact N-O 2.85Å; K321-I342 HydrophobicContact CB-CB 4.08Å; K321-I342 HydrophobicContact CB-CG1 4.34Å; K321-I342 PolarHBondContact N-O 3.5Å; K321-I342 PolarHBondContact O-N 3.31Å; I323-I342 HydrophobicContact CD1-CD1 3.77Å; I323-I342 HydrophobicContact CD1-CG1 3.84Å; I323-I342 HydrophobicContact CG1-CD1 4.33Å; I323-I342 HydrophobicContact CG1-CG1 4.01Å; T340-I342 HydrophobicContact CG2-CD1 4.39Å
343P96.1Very high96.3Very high82 Ų8239.2 Ų39.253%0.53223%0.229SC..EExtended strand (participates in β ladder)trans-79.4141.5-176.533.2-35.6000111.4S317 T318S317-P343 WeakPolarHBondContact OG-CB 3.35Å; T318-P343 CarbonylContact O-C 3.55Å; T318-P343 WeakPolarHBondContact O-CA 3.36Å
344G97Very high96.5Very high25 Ų2538.2 Ų38.226%0.25822%0.219SC..EExtended strand (participates in β ladder)trans-122.3-168.6161.400000110.4T318T318-G344 PolarHBondContact N-O 3.39Å; T318-G344 PolarHBondContact O-N 3.09Å
345N97.8Very high96.6Very high65 Ų6536.4 Ų36.435%0.34821%0.211SC..EExtended strand (participates in β ladder)trans-84.8145177.4-161.4-9.3000111N315 L352N315-N345 WeakPolarHBondContact CA-OD1 3.28Å; N315-N345 PolarHBondContact N-OD1 3.3Å; N315-N345 PolarHBondContact OD1-ND2 3.45Å; N345-L352 HydrophobicContact CB-CB 4.19Å; N345-L352 HydrophobicContact CB-CD2 4.2Å; N345-L352 WeakPolarHBondContact O-CB 3.4Å; N345-L352 PolarHBondContact O-N 3.28Å
346G98.3Very high96.7Very high0 Ų038.2 Ų38.20%022%0.219CC..EExtended strand (participates in β ladder)trans171.7-155.4176.700000110.9A314 N315 L316 T318 V350A314-G346 CarbonylContact C-O 3.58Å; A314-G346 VanDerWaalsContact CA-O 3.24Å; A314-G346 WeakPolarHBondContact CA-O 3.37Å; N315-G346 PolarHBondContact N-O 3.48Å; L316-G346 PolarHBondContact N-O 3.43Å; L316-G346 PolarHBondContact O-N 3.5Å; T318-G346 WeakPolarHBondContact OG1-CA 3.36Å; T318-G346 PolarHBondContact OG1-N 3.25Å; G346-V350 VanDerWaalsContact CA-O 3.26Å; G346-V350 WeakPolarHBondContact CA-O 3.36Å
347D98.1Very high96.8Very high0 Ų034.6 Ų34.60%020%0.199CC..BIsolated β-bridgetrans-104.914.7179.764.411.7000113.5T318 T349 V350 L355 E373 H374T318-D347 PolarHBondContact OG1-N 3.41Å; D347-T349 PolarHBondContact OD1-N 3.04Å; D347-V350 PolarHBondContact N-O 2.9Å; D347-V350 PolarHBondContact OD1-N 3.32Å; D347-L355 HydrophobicContact CB-CD1 4.04Å; D347-E373 CarbonylContact O-C 3.22Å; D347-E373 WeakPolarHBondContact O-CA 3.47Å; D347-H374 HydrophobicContact CB-CB 4.35Å; D347-H374 VanDerWaalsContact CG-ND1 3.31Å; D347-H374 PolarHBondContact O-N 2.91Å; D347-H374 IonicContact OD1-CG 3.34Å; D347-H374 IonicContact OD1-ND1 3.14Å; D347-H374 PolarHBondContact OD1-ND1 2.84Å; D347-H374 IonicContact OD2-CE1 3.89Å; D347-H374 IonicContact OD2-CG 2.98Å; D347-H374 IonicContact OD2-ND1 3.38Å; D347-H374 PolarHBondContact OD2-ND1 3.26Å
348G96.4Very high97Very high26 Ų2634 Ų3427%0.26820%0.197SC..SBendtrans94.7-16.9-175.900000113.9T318T318-G348 WeakPolarHBondContact OG1-CA 3.38Å; T318-G348 PolarHBondContact OG1-N 2.85Å
349T96.7Very high97.1Very high26 Ų2634.5 Ų34.516%0.1619%0.192CC..SBendtrans-128.5-42.9178.2-72.30000112.8S211 K213 D347S211-T349 PolarHBondContact OG-O 3.5Å; K213-T349 HydrophobicContact CD-CG2 4.03Å; K213-T349 PolarHBondContact NZ-OG1 3.33Å; D347-T349 PolarHBondContact OD1-N 3.04Å
350V98.1Very high97.1Very high2 Ų243.5 Ų43.51%0.01223%0.225CC..SBendtrans-111.9128.6-177.3-174.50000109.2P207 G346 D347 L355 H374P207-V350 HydrophobicContact CB-CG1 3.93Å; P207-V350 HydrophobicContact CB-CG2 3.83Å; G346-V350 VanDerWaalsContact CA-O 3.26Å; G346-V350 WeakPolarHBondContact CA-O 3.36Å; D347-V350 PolarHBondContact N-O 2.9Å; D347-V350 PolarHBondContact OD1-N 3.32Å; V350-L355 HydrophobicContact CB-CD1 4.34Å; V350-L355 HydrophobicContact CB-CD2 3.86Å; V350-L355 HydrophobicContact CB-CG 3.97Å; V350-L355 HydrophobicContact CG1-CD2 3.72Å; V350-L355 HydrophobicContact CG1-CG 3.69Å; V350-L355 WeakPolarHBondContact O-CD1 3.49Å; V350-H374 WeakPolarHBondContact CG2-CE1 3.27Å
351S97.7Very high97.1Very high3 Ų340.1 Ų40.12%0.02120%0.203CC..BIsolated β-bridgetrans-64.7147.5179.167.10000110.8R353 S354 L355S351-R353 PolarHBondContact O-N 2.99Å; S351-R353 VanDerWaalsContact O-N 3.15Å; S351-S354 WeakPolarHBondContact O-CB 3.19Å; S351-S354 PolarHBondContact O-N 2.8Å; S351-L355 PolarHBondContact O-N 2.96Å; S351-L355 VanDerWaalsContact O-N 3.1Å
352L97.9Very high97Very high31 Ų3141.6 Ų41.616%0.16222%0.217CC..Hα-helixtrans-55.1-37.3179.1-171.167.2000111.2A314 N345 S354 L355 E356A314-L352 HydrophobicContact CB-CD1 4.04Å; N345-L352 HydrophobicContact CB-CB 4.19Å; N345-L352 HydrophobicContact CB-CD2 4.2Å; N345-L352 WeakPolarHBondContact O-CB 3.4Å; N345-L352 PolarHBondContact O-N 3.28Å; L352-S354 PolarHBondContact O-N 3.3Å; L352-L355 PolarHBondContact O-N 2.97Å; L352-E356 HydrophobicContact CD1-CG 3.68Å; L352-E356 WeakPolarHBondContact CD1-OE1 3.16Å; L352-E356 VanDerWaalsContact CG-CD 3.44Å; L352-E356 HydrophobicContact CG-CG 3.77Å; L352-E356 WeakPolarHBondContact CG-OE1 3.13Å; L352-E356 WeakPolarHBondContact O-CB 3.01Å; L352-E356 WeakPolarHBondContact O-CG 3.18Å; L352-E356 PolarHBondContact O-N 2.71Å
353R97.2Very high96.8Very high91 Ų9141.4 Ų41.434%0.34323%0.231SC..Hα-helixtrans-52.9-39.3175.2-170.6-175.1-54.6-173.56.6113.1L253 E258 S351L253-R353 WeakPolarHBondContact O-CD 3.41Å; L253-R353 PolarHBondContact O-NH1 3.2Å; E258-R353 VanDerWaalsContact CD-NH1 3.33Å; E258-R353 IonicContact OE1-CZ 3.95Å; E258-R353 IonicContact OE1-NH1 3.83Å; E258-R353 PolarHBondContact OE1-NH1 3.43Å; E258-R353 VanDerWaalsContact OE1-NH1 3.12Å; E258-R353 IonicContact OE1-NH2 2.92Å; E258-R353 PolarHBondContact OE1-NH2 3.35Å; E258-R353 IonicContact OE2-CZ 3.83Å; E258-R353 IonicContact OE2-NH1 3.29Å; E258-R353 PolarHBondContact OE2-NH1 3.48Å; E258-R353 IonicContact OE2-NH2 3.04Å; S351-R353 PolarHBondContact O-N 2.99Å; S351-R353 VanDerWaalsContact O-N 3.15Å
354S98.2Very high96.8Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-80.7-41.3179.9176.70000112G209 G210 S351 L352 E356 V357G209-S354 VanDerWaalsContact CA-OG 3.23Å; G209-S354 WeakPolarHBondContact CA-OG 3.4Å; G209-S354 PolarHBondContact N-OG 3.1Å; G210-S354 PolarHBondContact N-OG 3.4Å; G210-S354 WeakPolarHBondContact O-CB 3.39Å; G210-S354 PolarHBondContact O-OG 2.62Å; S351-S354 WeakPolarHBondContact O-CB 3.19Å; S351-S354 PolarHBondContact O-N 2.8Å; L352-S354 PolarHBondContact O-N 3.3Å; S354-E356 VanDerWaalsContact C-N 3.31Å; S354-E356 PolarHBondContact O-N 2.87Å; S354-V357 VanDerWaalsContact O-CG2 3.3Å; S354-V357 WeakPolarHBondContact O-CG2 3.45Å; S354-V357 PolarHBondContact O-N 2.86Å
355L98.3Very high96.8Very high1 Ų142 Ų421%0.00522%0.219CC..Hα-helixtrans-62.5-37.5178.1-67.6170.7000112.3H312 D347 V350 S351 L352 V357 C358H312-L355 HydrophobicContact CB-CB 4.23Å; H312-L355 HydrophobicContact CB-CD1 4.15Å; H312-L355 HydrophobicContact CB-CD2 3.83Å; H312-L355 HydrophobicContact CB-CG 4.29Å; D347-L355 HydrophobicContact CB-CD1 4.04Å; V350-L355 HydrophobicContact CB-CD1 4.34Å; V350-L355 HydrophobicContact CB-CD2 3.86Å; V350-L355 HydrophobicContact CB-CG 3.97Å; V350-L355 HydrophobicContact CG1-CD2 3.72Å; V350-L355 HydrophobicContact CG1-CG 3.69Å; V350-L355 WeakPolarHBondContact O-CD1 3.49Å; S351-L355 PolarHBondContact O-N 2.96Å; S351-L355 VanDerWaalsContact O-N 3.1Å; L352-L355 PolarHBondContact O-N 2.97Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 2.86Å; L355-C358 PolarHBondContact O-SG 2.89Å
356E97.7Very high96.8Very high51 Ų5141.9 Ų41.924%0.23821%0.214CC..G310 helixtrans-85.12-173.1-65.1-166.1152.500114.6L352 S354 C358 K359 Y366L352-E356 HydrophobicContact CD1-CG 3.68Å; L352-E356 WeakPolarHBondContact CD1-OE1 3.16Å; L352-E356 VanDerWaalsContact CG-CD 3.44Å; L352-E356 HydrophobicContact CG-CG 3.77Å; L352-E356 WeakPolarHBondContact CG-OE1 3.13Å; L352-E356 WeakPolarHBondContact O-CB 3.01Å; L352-E356 WeakPolarHBondContact O-CG 3.18Å; L352-E356 PolarHBondContact O-N 2.71Å; S354-E356 VanDerWaalsContact C-N 3.31Å; S354-E356 PolarHBondContact O-N 2.87Å; E356-C358 PolarHBondContact O-N 3.37Å; E356-K359 HydrophobicContact CB-CD 4.02Å; E356-K359 HydrophobicContact CB-CG 4.23Å; E356-K359 HydrophobicContact CG-CD 4.34Å; E356-K359 VanDerWaalsContact O-CB 3.23Å; E356-K359 WeakPolarHBondContact O-CB 3.31Å; E356-K359 WeakPolarHBondContact O-CG 3.43Å; E356-K359 PolarHBondContact O-N 2.78Å; E356-K359 VanDerWaalsContact OE1-CE 3.3Å; E356-K359 WeakPolarHBondContact OE1-CE 3.2Å; E356-K359 IonicContact OE1-NZ 3.23Å; E356-K359 PolarHBondContact OE1-NZ 2.77Å; E356-K359 IonicContact OE2-NZ 2.68Å; E356-K359 PolarHBondContact OE2-NZ 2.92Å; E356-Y366 WeakPolarHBondContact CG-OH 3.17Å; E356-Y366 PolarHBondContact OE1-OH 3.4Å
357V97.3Very high96.8Very high5 Ų545.4 Ų45.43%0.0323%0.23CC..G310 helixtrans-52.1-41.9177.4165.60000111.4L208 L253 L299 S354 L355 K359 R360L208-V357 HydrophobicContact CB-CB 3.75Å; L208-V357 HydrophobicContact CB-CG1 3.97Å; L208-V357 HydrophobicContact CB-CG2 4.12Å; L208-V357 HydrophobicContact CD1-CB 3.87Å; L208-V357 HydrophobicContact CD1-CG1 4.14Å; L208-V357 HydrophobicContact CG-CB 4.46Å; L253-V357 HydrophobicContact CD1-CG2 3.48Å; L253-V357 VanDerWaalsContact CD1-CG2 3.48Å; L253-V357 HydrophobicContact CD2-CG2 4.3Å; L299-V357 HydrophobicContact CB-CG1 4.48Å; L299-V357 HydrophobicContact CD2-CB 4.42Å; L299-V357 HydrophobicContact CD2-CG1 3.52Å; L299-V357 HydrophobicContact CD2-CG2 3.96Å; S354-V357 VanDerWaalsContact O-CG2 3.3Å; S354-V357 WeakPolarHBondContact O-CG2 3.45Å; S354-V357 PolarHBondContact O-N 2.86Å; L355-V357 VanDerWaalsContact C-N 3.33Å; L355-V357 PolarHBondContact O-N 2.86Å; V357-K359 PolarHBondContact O-N 3.39Å; V357-K359 VanDerWaalsContact O-N 3.14Å; V357-R360 PolarHBondContact O-N 3.39Å; V357-R360 VanDerWaalsContact O-N 3.14Å
358C96.8Very high96.8Very high0 Ų048 Ų480%025%0.245CC..G310 helixtrans-61.7-19.3179.861.20000113.9L208 C310 L355 E356 R360 W361 I364L208-C358 HydrophobicContact CD1-CB 3.65Å; C310-C358 HydrophobicContact CB-CB 3.6Å; C310-C358 WeakPolarHBondContact CB-SG 3.38Å; C310-C358 WeakPolarHBondContact SG-CB 3.32Å; C310-C358 CovalentContact SG-SG 2.02Å; C310-C358 PolarHBondContact SG-SG 2.75Å; L355-C358 PolarHBondContact O-SG 2.89Å; E356-C358 PolarHBondContact O-N 3.37Å; C358-R360 PolarHBondContact O-N 3.48Å; C358-R360 VanDerWaalsContact O-N 3.12Å; C358-W361 HydrophobicContact CB-CD2 4Å; C358-W361 HydrophobicContact CB-CE3 3.79Å; C358-W361 HydrophobicContact CB-CH2 4.17Å; C358-W361 HydrophobicContact CB-CZ2 4.39Å; C358-W361 HydrophobicContact CB-CZ3 3.87Å; C358-W361 VanDerWaalsContact O-CB 3.3Å; C358-W361 WeakPolarHBondContact O-CB 3.28Å; C358-W361 PolarHBondContact O-N 3.36Å; C358-I364 HydrophobicContact CB-CD1 4.47Å; C358-I364 HydrophobicContact CB-CG1 4.49Å; C358-I364 WeakPolarHBondContact O-CG2 3.43Å
359K96Very high96.9Very high94 Ų9447.2 Ų47.241%0.40924%0.235SC..G310 helixtrans-57.1-27.4174.4-71.4-173.5-179.4172.30112.3E356 V357 W361 Y366E356-K359 HydrophobicContact CB-CD 4.02Å; E356-K359 HydrophobicContact CB-CG 4.23Å; E356-K359 HydrophobicContact CG-CD 4.34Å; E356-K359 VanDerWaalsContact O-CB 3.23Å; E356-K359 WeakPolarHBondContact O-CB 3.31Å; E356-K359 WeakPolarHBondContact O-CG 3.43Å; E356-K359 PolarHBondContact O-N 2.78Å; E356-K359 VanDerWaalsContact OE1-CE 3.3Å; E356-K359 WeakPolarHBondContact OE1-CE 3.2Å; E356-K359 IonicContact OE1-NZ 3.23Å; E356-K359 PolarHBondContact OE1-NZ 2.77Å; E356-K359 IonicContact OE2-NZ 2.68Å; E356-K359 PolarHBondContact OE2-NZ 2.92Å; V357-K359 PolarHBondContact O-N 3.39Å; V357-K359 VanDerWaalsContact O-N 3.14Å; K359-W361 VanDerWaalsContact C-N 3.29Å; K359-Y366 HydrophobicContact CD-CE1 4.27Å; K359-Y366 HydrophobicContact CD-CE2 4.33Å; K359-Y366 WeakPolarHBondContact CE-OH 3.33Å; K359-Y366 HydrophobicContact CG-CD1 4.37Å; K359-Y366 HydrophobicContact CG-CD2 3.81Å; K359-Y366 HydrophobicContact CG-CE1 4.1Å; K359-Y366 HydrophobicContact CG-CE2 3.5Å; K359-Y366 VanDerWaalsContact CG-CE2 3.5Å; K359-Y366 HydrophobicContact CG-CG 4.24Å
360R95Very high97Very high197 Ų19749 Ų4974%0.74325%0.247SC*.G310 helixtrans-82.1-7.7-179.8-58.1179.7-174.7173.71.7112.6V357 C358V357-R360 PolarHBondContact O-N 3.39Å; V357-R360 VanDerWaalsContact O-N 3.14Å; C358-R360 PolarHBondContact O-N 3.48Å; C358-R360 VanDerWaalsContact O-N 3.12Å
361W95.6Very high97Very high8 Ų851 Ų513%0.0327%0.269CS..SBendtrans-79132.7179.8-64-9.7000111.5M183 L208 T298 L299 K301 I308 C358 K359 G363 I364M183-W361 HydrophobicContact CE-CH2 3.54Å; M183-W361 HydrophobicContact CE-CZ2 3.55Å; M183-W361 HydrophobicContact SD-CH2 3.72Å; M183-W361 HydrophobicContact SD-CZ2 4.22Å; L208-W361 HydrophobicContact CD1-CH2 3.79Å; L208-W361 HydrophobicContact CD1-CZ2 3.86Å; L208-W361 HydrophobicContact CD2-CH2 3.78Å; L208-W361 HydrophobicContact CD2-CZ2 4.02Å; L208-W361 HydrophobicContact CG-CH2 4.47Å; T298-W361 VanDerWaalsContact O-CZ2 3.31Å; T298-W361 WeakPolarHBondContact O-CZ2 3.17Å; L299-W361 PolarHBondContact O-NE1 3.16Å; K301-W361 HydrophobicContact CB-CB 3.88Å; K301-W361 HydrophobicContact CB-CD2 3.89Å; K301-W361 HydrophobicContact CB-CE3 4.29Å; K301-W361 HydrophobicContact CB-CG 3.69Å; K301-W361 HydrophobicContact CD-CB 4.32Å; K301-W361 HydrophobicContact CG-CB 4.1Å; K301-W361 HydrophobicContact CG-CD2 4.17Å; K301-W361 HydrophobicContact CG-CE3 4.07Å; K301-W361 HydrophobicContact CG-CG 4.2Å; I308-W361 HydrophobicContact CG2-CE3 4.49Å; I308-W361 HydrophobicContact CG2-CZ3 4.25Å; C358-W361 HydrophobicContact CB-CD2 4Å; C358-W361 HydrophobicContact CB-CE3 3.79Å; C358-W361 HydrophobicContact CB-CH2 4.17Å; C358-W361 HydrophobicContact CB-CZ2 4.39Å; C358-W361 HydrophobicContact CB-CZ3 3.87Å; C358-W361 VanDerWaalsContact O-CB 3.3Å; C358-W361 WeakPolarHBondContact O-CB 3.28Å; C358-W361 PolarHBondContact O-N 3.36Å; K359-W361 VanDerWaalsContact C-N 3.29Å; W361-G363 PolarHBondContact O-N 3.17Å; W361-I364 HydrophobicContact CB-CB 4.4Å; W361-I364 HydrophobicContact CE3-CD1 3.96Å; W361-I364 WeakPolarHBondContact O-CG2 2.79Å; W361-I364 PolarHBondContact O-N 2.96Å
362P92.5Very high97Very high103 Ų10351 Ų5167%0.66927%0.269SS*.THydrogen-bonded Turntrans-60.4129.9178.1-24.133.8000112.8K301 I364K301-P362 PolarHBondContact NZ-O 3.32Å; K301-P362 VanDerWaalsContact NZ-O 3.14Å; P362-I364 VanDerWaalsContact C-N 3.32Å; P362-I364 PolarHBondContact O-N 3.17Å
363G93Very high96.9Very high60 Ų6052.2 Ų52.262%0.61927%0.273SS*.THydrogen-bonded Turntrans72.816.6174.400000115.3W361W361-G363 PolarHBondContact O-N 3.17Å
364I96.4Very high96.9Very high30 Ų3048.3 Ų48.315%0.15426%0.259CS..  trans-63.2136.8179.5-168.772.2000111.9I308 C310 C358 W361 P362I308-I364 HydrophobicContact CB-CD1 3.81Å; I308-I364 HydrophobicContact CG2-CD1 3.65Å; I308-I364 WeakPolarHBondContact O-CD1 3.36Å; C310-I364 HydrophobicContact CB-CD1 3.69Å; C310-I364 HydrophobicContact CB-CG1 3.73Å; C358-I364 HydrophobicContact CB-CD1 4.47Å; C358-I364 HydrophobicContact CB-CG1 4.49Å; C358-I364 WeakPolarHBondContact O-CG2 3.43Å; W361-I364 HydrophobicContact CB-CB 4.4Å; W361-I364 HydrophobicContact CE3-CD1 3.96Å; W361-I364 WeakPolarHBondContact O-CG2 2.79Å; W361-I364 PolarHBondContact O-N 2.96Å; P362-I364 VanDerWaalsContact C-N 3.32Å; P362-I364 PolarHBondContact O-N 3.17Å
365K97.6Very high96.8Very high88 Ų8851.1 Ų51.138%0.38328%0.276SS..EExtended strand (participates in β ladder)trans-89.5107.2165-55.5-65.4-173.9174.20107.9E307 I308 Y309 C310 F367E307-K365 WeakPolarHBondContact OE1-CE 3.43Å; E307-K365 IonicContact OE1-NZ 3.57Å; I308-K365 PolarHBondContact O-N 2.82Å; Y309-K365 CarbonylContact C-O 3.53Å; Y309-K365 VanDerWaalsContact CA-O 3.3Å; Y309-K365 WeakPolarHBondContact CA-O 3.1Å; Y309-K365 HydrophobicContact CD1-CB 3.7Å; Y309-K365 HydrophobicContact CD1-CG 4.32Å; Y309-K365 HydrophobicContact CD2-CB 4.47Å; Y309-K365 HydrophobicContact CE1-CB 3.84Å; Y309-K365 HydrophobicContact CE1-CG 4.03Å; Y309-K365 HydrophobicContact CE2-CG 4.27Å; Y309-K365 HydrophobicContact CG-CB 4.02Å; C310-K365 PolarHBondContact N-O 2.9Å; K365-F367 HydrophobicContact CB-CE2 4Å
366Y97.7Very high96.6Very high64 Ų6456.3 Ų56.325%0.25130%0.304SS..EExtended strand (participates in β ladder)trans-111.6124.4-166.7179.5-97.9000111.6C310 H312 E356 K359 V368C310-Y366 HydrophobicContact CB-CD2 4.12Å; C310-Y366 WeakPolarHBondContact O-CA 3.44Å; H312-Y366 AromaticContact CD2-CE2 3.92Å; H312-Y366 PolarHBondContact CE1-OH 2.86Å; H312-Y366 AromaticContact NE2-CE2 3.31Å; H312-Y366 VanDerWaalsContact NE2-CE2 3.31Å; H312-Y366 WeakPolarHBondContact NE2-CE2 3.42Å; H312-Y366 AromaticContact NE2-CZ 3.36Å; H312-Y366 PolarHBondContact NE2-OH 2.88Å; E356-Y366 WeakPolarHBondContact CG-OH 3.17Å; E356-Y366 PolarHBondContact OE1-OH 3.4Å; K359-Y366 HydrophobicContact CD-CE1 4.27Å; K359-Y366 HydrophobicContact CD-CE2 4.33Å; K359-Y366 WeakPolarHBondContact CE-OH 3.33Å; K359-Y366 HydrophobicContact CG-CD1 4.37Å; K359-Y366 HydrophobicContact CG-CD2 3.81Å; K359-Y366 HydrophobicContact CG-CE1 4.1Å; K359-Y366 HydrophobicContact CG-CE2 3.5Å; K359-Y366 VanDerWaalsContact CG-CE2 3.5Å; K359-Y366 HydrophobicContact CG-CG 4.24Å; Y366-V368 HydrophobicContact CD1-CG2 4.26Å; Y366-V368 HydrophobicContact CE1-CG2 3.26Å; Y366-V368 VanDerWaalsContact CZ-CG2 3.41Å; Y366-V368 WeakPolarHBondContact OH-CG2 3.23Å
367F98.3Very high96.6Very high74 Ų7453.9 Ų53.933%0.32529%0.292SS..EExtended strand (participates in β ladder)trans-128.9127.4-177.8-63.2-94.5000110.5Y309 C310 I311 H312 K365 I386Y309-F367 HydrophobicContact CD1-CD2 4.28Å; Y309-F367 AromaticContact CD1-CE2 3.6Å; Y309-F367 HydrophobicContact CD1-CE2 3.6Å; Y309-F367 HydrophobicContact CD1-CZ 4.48Å; Y309-F367 AromaticContact CE1-CE2 3.98Å; Y309-F367 HydrophobicContact CE1-CE2 3.98Å; Y309-F367 HydrophobicContact CE1-CZ 4.48Å; C310-F367 PolarHBondContact O-N 3.14Å; I311-F367 WeakPolarHBondContact CA-O 3.35Å; I311-F367 HydrophobicContact CB-CB 4.43Å; I311-F367 HydrophobicContact CG1-CB 4.15Å; I311-F367 HydrophobicContact CG1-CD2 4.13Å; I311-F367 HydrophobicContact CG1-CG 4.5Å; I311-F367 HydrophobicContact CG2-CB 4.12Å; H312-F367 PolarHBondContact N-O 2.82Å; H312-F367 VanDerWaalsContact N-O 3.14Å; K365-F367 HydrophobicContact CB-CE2 4Å; F367-I386 HydrophobicContact CB-CD1 4.16Å; F367-I386 HydrophobicContact CD1-CD1 3.68Å; F367-I386 HydrophobicContact CD1-CG1 4.28Å; F367-I386 HydrophobicContact CE1-CD1 4.26Å; F367-I386 HydrophobicContact CE1-CG1 4.37Å; F367-I386 HydrophobicContact CG-CD1 3.97Å
368V98.4Very high96.5Very high53 Ų5353.7 Ų53.732%0.32129%0.291SS..EExtended strand (participates in β ladder)trans-109.8131.4171.5-173.20000108.1H312 A314 Y366 P370H312-V368 WeakPolarHBondContact O-CA 3.5Å; A314-V368 HydrophobicContact CB-CG1 3.42Å; A314-V368 VanDerWaalsContact CB-CG1 3.42Å; Y366-V368 HydrophobicContact CD1-CG2 4.26Å; Y366-V368 HydrophobicContact CE1-CG2 3.26Å; Y366-V368 VanDerWaalsContact CZ-CG2 3.41Å; Y366-V368 WeakPolarHBondContact OH-CG2 3.23Å; V368-P370 HydrophobicContact CG1-CG 4.33Å; V368-P370 VanDerWaalsContact O-CD 3.28Å; V368-P370 WeakPolarHBondContact O-CD 3.47Å
369L98.5Very high96.4Very high10 Ų1055 Ų555%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-113.982.6177-56.1-175.3000108.8I311 H312 G313 G371 A372 I377 R382 F383 I386I311-L369 HydrophobicContact CG2-CD1 4Å; I311-L369 HydrophobicContact CG2-CG 4.28Å; H312-L369 PolarHBondContact O-N 3.19Å; G313-L369 WeakPolarHBondContact CA-O 3.36Å; L369-G371 PolarHBondContact O-N 3.48Å; L369-A372 HydrophobicContact CB-CB 3.79Å; L369-A372 VanDerWaalsContact O-CB 3.26Å; L369-A372 WeakPolarHBondContact O-CB 3.42Å; L369-A372 PolarHBondContact O-N 3.24Å; L369-I377 HydrophobicContact CD1-CD1 4.15Å; L369-I377 HydrophobicContact CD1-CG1 4.13Å; L369-R382 HydrophobicContact CD1-CB 4.37Å; L369-R382 HydrophobicContact CD2-CB 3.84Å; L369-F383 HydrophobicContact CD1-CB 3.64Å; L369-I386 HydrophobicContact CD2-CD1 4.11Å
370P98.3Very high96.5Very high63 Ų6351.6 Ų51.641%0.40929%0.291SS..EExtended strand (participates in β ladder)trans-54.1135.5-179.7-26.134.7000111.5A314 V368 A372 R382A314-P370 CarbonylContact O-C 3.58Å; A314-P370 WeakPolarHBondContact O-CA 3.19Å; V368-P370 HydrophobicContact CG1-CG 4.33Å; V368-P370 VanDerWaalsContact O-CD 3.28Å; V368-P370 WeakPolarHBondContact O-CD 3.47Å; P370-A372 VanDerWaalsContact C-N 3.26Å; P370-A372 PolarHBondContact O-N 3.04Å; P370-R382 PolarHBondContact O-NH1 3.41Å; P370-R382 PolarHBondContact O-NH2 2.75Å
371G98Very high96.6Very high46 Ų4646.5 Ų46.547%0.47428%0.284SS..THydrogen-bonded Turntrans79.2-6.8-177.300000115.5A314 L369 E373A314-G371 PolarHBondContact O-N 2.8Å; L369-G371 PolarHBondContact O-N 3.48Å; G371-E373 PolarHBondContact O-N 3.13Å
372A97.9Very high96.7Very high3 Ų350.7 Ų50.73%0.02530%0.299CS..  trans-72.2115.6172.500000109.5G313 L369 P370 I377 D380G313-A372 VanDerWaalsContact CA-O 3.3Å; G313-A372 WeakPolarHBondContact CA-O 3.19Å; L369-A372 HydrophobicContact CB-CB 3.79Å; L369-A372 VanDerWaalsContact O-CB 3.26Å; L369-A372 WeakPolarHBondContact O-CB 3.42Å; L369-A372 PolarHBondContact O-N 3.24Å; P370-A372 VanDerWaalsContact C-N 3.26Å; P370-A372 PolarHBondContact O-N 3.04Å; A372-I377 HydrophobicContact CB-CB 4.15Å; A372-I377 HydrophobicContact CB-CD1 4.13Å; A372-I377 HydrophobicContact CB-CG1 3.87Å; A372-D380 HydrophobicContact CB-CB 4.49Å; A372-D380 WeakPolarHBondContact CB-OD2 3.19Å
373E97Very high97Very high56 Ų5645.8 Ų45.826%0.26227%0.268SS..  trans-74.9148.5177.7-171.8-73.8147.100110.9L316 D347 G371 V375 N376 I377L316-E373 HydrophobicContact CD1-CB 3.74Å; L316-E373 HydrophobicContact CD1-CG 4.23Å; D347-E373 CarbonylContact O-C 3.22Å; D347-E373 WeakPolarHBondContact O-CA 3.47Å; G371-E373 PolarHBondContact O-N 3.13Å; E373-V375 VanDerWaalsContact C-N 3.31Å; E373-V375 PolarHBondContact O-N 2.92Å; E373-V375 VanDerWaalsContact O-N 3.13Å; E373-V375 PolarHBondContact OE2-N 3.08Å; E373-N376 HydrophobicContact CB-CB 4.22Å; E373-N376 PolarHBondContact O-N 3.09Å; E373-N376 VanDerWaalsContact O-N 3.14Å; E373-N376 PolarHBondContact OE2-N 3.13Å; E373-N376 PolarHBondContact OE2-ND2 3.28Å; E373-I377 WeakPolarHBondContact O-CB 3.36Å; E373-I377 PolarHBondContact O-N 3.37Å
374H97.1Very high97.3Very high9 Ų943.8 Ų43.84%0.04224%0.243CC..THydrogen-bonded Turntrans-42.5-49.6-171.8-170.371.4000114.5H175 S176 S205 D347 V350 I377H175-H374 PolarHBondContact NE2-O 3.2Å; S176-H374 WeakPolarHBondContact CB-NE2 3.2Å; S176-H374 PolarHBondContact OG-CE1 2.96Å; S176-H374 PolarHBondContact OG-NE2 3.39Å; S205-H374 PolarHBondContact O-CE1 2.84Å; S205-H374 VanDerWaalsContact O-CE1 3.31Å; D347-H374 HydrophobicContact CB-CB 4.35Å; D347-H374 VanDerWaalsContact CG-ND1 3.31Å; D347-H374 PolarHBondContact O-N 2.91Å; D347-H374 IonicContact OD1-CG 3.34Å; D347-H374 IonicContact OD1-ND1 3.14Å; D347-H374 PolarHBondContact OD1-ND1 2.84Å; D347-H374 IonicContact OD2-CE1 3.89Å; D347-H374 IonicContact OD2-CG 2.98Å; D347-H374 IonicContact OD2-ND1 3.38Å; D347-H374 PolarHBondContact OD2-ND1 3.26Å; V350-H374 WeakPolarHBondContact CG2-CE1 3.27Å; H374-I377 VanDerWaalsContact O-CG2 3.24Å; H374-I377 WeakPolarHBondContact O-CG2 3.47Å
375V94.4Very high97.3Very high59 Ų5946.3 Ų46.336%0.35826%0.257SS..THydrogen-bonded Turntrans-87.1-43.9179.3179.50000110.6Y113 E373 I377 M378Y113-V375 HydrophobicContact CD2-CG1 3.94Å; Y113-V375 HydrophobicContact CE2-CG1 4.34Å; E373-V375 VanDerWaalsContact C-N 3.31Å; E373-V375 PolarHBondContact O-N 2.92Å; E373-V375 VanDerWaalsContact O-N 3.13Å; E373-V375 PolarHBondContact OE2-N 3.08Å; V375-I377 PolarHBondContact O-N 2.83Å; V375-I377 VanDerWaalsContact O-N 3.13Å; V375-M378 PolarHBondContact O-N 3.08Å
376N94.4Very high97.3Very high109 Ų10943 Ų4358%0.58324%0.243SC*.G310 helixtrans-68.1-12.4-175.1-66.1-38.8000113.9E373 M378 G379 D380E373-N376 HydrophobicContact CB-CB 4.22Å; E373-N376 PolarHBondContact O-N 3.09Å; E373-N376 VanDerWaalsContact O-N 3.14Å; E373-N376 PolarHBondContact OE2-N 3.13Å; E373-N376 PolarHBondContact OE2-ND2 3.28Å; N376-M378 PolarHBondContact O-N 3.32Å; N376-M378 VanDerWaalsContact O-N 3.15Å; N376-G379 PolarHBondContact O-N 3.36Å; N376-D380 PolarHBondContact O-N 3.11Å
377I97.4Very high97.3Very high0 Ų040 Ų400%023%0.231CC..G310 helixtrans-54.7-29.7172.6-164.2168.2000112.3L204 L369 A372 E373 H374 V375 G379 D380 F383L204-I377 HydrophobicContact CD1-CD1 3.71Å; L204-I377 HydrophobicContact CD1-CG1 4.06Å; L204-I377 HydrophobicContact CD1-CG2 4.3Å; L204-I377 HydrophobicContact CD2-CG2 4.09Å; L204-I377 HydrophobicContact CG-CG2 4.11Å; L369-I377 HydrophobicContact CD1-CD1 4.15Å; L369-I377 HydrophobicContact CD1-CG1 4.13Å; A372-I377 HydrophobicContact CB-CB 4.15Å; A372-I377 HydrophobicContact CB-CD1 4.13Å; A372-I377 HydrophobicContact CB-CG1 3.87Å; E373-I377 WeakPolarHBondContact O-CB 3.36Å; E373-I377 PolarHBondContact O-N 3.37Å; H374-I377 VanDerWaalsContact O-CG2 3.24Å; H374-I377 WeakPolarHBondContact O-CG2 3.47Å; V375-I377 PolarHBondContact O-N 2.83Å; V375-I377 VanDerWaalsContact O-N 3.13Å; I377-G379 PolarHBondContact O-N 2.67Å; I377-D380 WeakPolarHBondContact O-CB 3.48Å; I377-D380 PolarHBondContact O-N 3.32Å; I377-F383 HydrophobicContact CG1-CB 4.34Å; I377-F383 WeakPolarHBondContact O-CB 3.42Å; I377-F383 WeakPolarHBondContact O-CD1 3.28Å
378M96.1Very high97.3Very high1 Ų137 Ų371%0.00522%0.217CC..G310 helixtrans-59.8-28.7174.6-78.3-68.7-169.400113.4Y113 M117 L173 H175 L204 V375 N376 F383Y113-M378 HydrophobicContact CD2-CG 4.22Å; Y113-M378 HydrophobicContact CE2-CE 4.18Å; Y113-M378 HydrophobicContact CE2-CG 3.96Å; Y113-M378 VanDerWaalsContact O-CB 3.32Å; Y113-M378 WeakPolarHBondContact O-CB 3.38Å; M117-M378 WeakPolarHBondContact CB-O 3.46Å; M117-M378 HydrophobicContact CE-SD 4.34Å; M117-M378 HydrophobicContact SD-SD 4.49Å; L173-M378 HydrophobicContact CD2-CE 4.16Å; H175-M378 HydrophobicContact CB-CE 3.22Å; H175-M378 VanDerWaalsContact CG-CE 3.44Å; L204-M378 HydrophobicContact CD2-CE 3.87Å; L204-M378 HydrophobicContact CD2-CG 4.43Å; L204-M378 HydrophobicContact CD2-SD 3.72Å; V375-M378 PolarHBondContact O-N 3.08Å; N376-M378 PolarHBondContact O-N 3.32Å; N376-M378 VanDerWaalsContact O-N 3.15Å; M378-F383 HydrophobicContact SD-CE1 4.14Å
379G95.7Very high97.2Very high29 Ų2941.9 Ų41.930%0.29924%0.237SC..G310 helixtrans-102.63.3175.400000114.1N376 I377 P381N376-G379 PolarHBondContact O-N 3.36Å; I377-G379 PolarHBondContact O-N 2.67Å; G379-P381 WeakPolarHBondContact O-CD 3.42Å
380D97.3Very high97.1Very high21 Ų2142.2 Ų42.211%0.11224%0.239CC..  trans-69123.3179.9-170.5-64000109.8A372 N376 I377 R382 F383 I384A372-D380 HydrophobicContact CB-CB 4.49Å; A372-D380 WeakPolarHBondContact CB-OD2 3.19Å; N376-D380 PolarHBondContact O-N 3.11Å; I377-D380 WeakPolarHBondContact O-CB 3.48Å; I377-D380 PolarHBondContact O-N 3.32Å; D380-R382 PolarHBondContact O-N 2.86Å; D380-R382 VanDerWaalsContact O-N 3.12Å; D380-R382 WeakPolarHBondContact OD1-CB 3.26Å; D380-R382 WeakPolarHBondContact OD1-CG 3.25Å; D380-R382 IonicContact OD1-CZ 2.65Å; D380-R382 PolarHBondContact OD1-N 2.62Å; D380-R382 IonicContact OD1-NE 3.76Å; D380-R382 PolarHBondContact OD1-NE 3.22Å; D380-R382 IonicContact OD1-NH2 3.76Å; D380-R382 IonicContact OD2-CZ 2.8Å; D380-R382 IonicContact OD2-NE 2.69Å; D380-R382 PolarHBondContact OD2-NE 2.85Å; D380-R382 IonicContact OD2-NH2 3.44Å; D380-R382 PolarHBondContact OD2-NH2 2.99Å; D380-F383 HydrophobicContact CB-CB 4.21Å; D380-F383 PolarHBondContact O-N 3.33Å; D380-I384 WeakPolarHBondContact O-CG1 3.3Å; D380-I384 PolarHBondContact O-N 2.83Å
381P97.3Very high97.1Very high90 Ų9039.2 Ų39.258%0.58422%0.219SC*.Hα-helixtrans-55.1-34.1-178.3-27.935.5000113.6G379 I384 D385G379-P381 WeakPolarHBondContact O-CD 3.42Å; P381-I384 PolarHBondContact O-N 3.12Å; P381-D385 VanDerWaalsContact O-CG 3.31Å; P381-D385 PolarHBondContact O-N 3.39Å
382R98.2Very high97.1Very high96 Ų9637.4 Ų37.436%0.36220%0.2SC..Hα-helixtrans-69.1-40.6179.4-55.3167.3-69.5-177.7-3111.1L369 P370 D380 D385 I386L369-R382 HydrophobicContact CD1-CB 4.37Å; L369-R382 HydrophobicContact CD2-CB 3.84Å; P370-R382 PolarHBondContact O-NH1 3.41Å; P370-R382 PolarHBondContact O-NH2 2.75Å; D380-R382 PolarHBondContact O-N 2.86Å; D380-R382 VanDerWaalsContact O-N 3.12Å; D380-R382 WeakPolarHBondContact OD1-CB 3.26Å; D380-R382 WeakPolarHBondContact OD1-CG 3.25Å; D380-R382 IonicContact OD1-CZ 2.65Å; D380-R382 PolarHBondContact OD1-N 2.62Å; D380-R382 IonicContact OD1-NE 3.76Å; D380-R382 PolarHBondContact OD1-NE 3.22Å; D380-R382 IonicContact OD1-NH2 3.76Å; D380-R382 IonicContact OD2-CZ 2.8Å; D380-R382 IonicContact OD2-NE 2.69Å; D380-R382 PolarHBondContact OD2-NE 2.85Å; D380-R382 IonicContact OD2-NH2 3.44Å; D380-R382 PolarHBondContact OD2-NH2 2.99Å; R382-D385 PolarHBondContact O-N 2.83Å; R382-I386 WeakPolarHBondContact O-CD1 3.23Å; R382-I386 VanDerWaalsContact O-CG1 3.26Å; R382-I386 WeakPolarHBondContact O-CG1 3.48Å; R382-I386 PolarHBondContact O-N 3.09Å; R382-I386 VanDerWaalsContact O-N 3.08Å
383F98.4Very high96.9Very high0 Ų037.7 Ų37.70%020%0.203CC..Hα-helixtrans-65.3-43.8173.4166.9-113.2000110.7M117 L173 L204 I311 L369 I377 M378 D380 D385 I386 I387M117-F383 HydrophobicContact CB-CE1 4.46Å; M117-F383 HydrophobicContact CG-CE1 4.18Å; M117-F383 HydrophobicContact SD-CE1 3.54Å; M117-F383 VanDerWaalsContact SD-CE1 3.54Å; M117-F383 HydrophobicContact SD-CZ 3.66Å; L173-F383 HydrophobicContact CD1-CE2 4.2Å; L173-F383 HydrophobicContact CD1-CZ 3.71Å; L204-F383 HydrophobicContact CD1-CD2 3.63Å; L204-F383 HydrophobicContact CD1-CE2 3.65Å; L204-F383 HydrophobicContact CD1-CG 4.22Å; L204-F383 HydrophobicContact CD1-CZ 4.24Å; L204-F383 HydrophobicContact CD2-CD1 4.37Å; L204-F383 HydrophobicContact CD2-CD2 4.39Å; L204-F383 HydrophobicContact CD2-CE1 3.82Å; L204-F383 HydrophobicContact CD2-CE2 3.86Å; L204-F383 HydrophobicContact CD2-CZ 3.56Å; L204-F383 HydrophobicContact CG-CE2 4.31Å; L204-F383 HydrophobicContact CG-CZ 4.48Å; I311-F383 HydrophobicContact CD1-CD2 4.2Å; I311-F383 HydrophobicContact CD1-CE2 4.24Å; I311-F383 HydrophobicContact CG2-CD2 4.27Å; L369-F383 HydrophobicContact CD1-CB 3.64Å; I377-F383 HydrophobicContact CG1-CB 4.34Å; I377-F383 WeakPolarHBondContact O-CB 3.42Å; I377-F383 WeakPolarHBondContact O-CD1 3.28Å; M378-F383 HydrophobicContact SD-CE1 4.14Å; D380-F383 HydrophobicContact CB-CB 4.21Å; D380-F383 PolarHBondContact O-N 3.33Å; F383-D385 VanDerWaalsContact C-N 3.29Å; F383-D385 PolarHBondContact O-N 2.9Å; F383-I386 PolarHBondContact O-N 2.87Å; F383-I386 VanDerWaalsContact O-N 3.14Å; F383-I387 HydrophobicContact CE1-CG2 4.47Å; F383-I387 HydrophobicContact CE2-CB 4.1Å; F383-I387 HydrophobicContact CZ-CB 4.1Å; F383-I387 HydrophobicContact CZ-CG1 4.46Å; F383-I387 HydrophobicContact CZ-CG2 4.26Å; F383-I387 PolarHBondContact O-N 3.13Å
384I98.3Very high96.2Very high19 Ų1938.2 Ų38.210%0.09721%0.207CC..Hα-helixtrans-57-43.7176.3-70.1175.3000110.8P116 M117 S120 D380 P381 I387 R388P116-I384 HydrophobicContact CB-CD1 4.34Å; M117-I384 HydrophobicContact CB-CG1 4.45Å; S120-I384 WeakPolarHBondContact OG-CG2 3.49Å; D380-I384 WeakPolarHBondContact O-CG1 3.3Å; D380-I384 PolarHBondContact O-N 2.83Å; P381-I384 PolarHBondContact O-N 3.12Å; I384-I387 VanDerWaalsContact O-CG2 3.29Å; I384-I387 WeakPolarHBondContact O-CG2 3.28Å; I384-I387 PolarHBondContact O-N 3.33Å; I384-R388 HydrophobicContact CG2-CG 4.4Å; I384-R388 WeakPolarHBondContact O-CB 3.35Å; I384-R388 WeakPolarHBondContact O-CD 3.48Å; I384-R388 WeakPolarHBondContact O-CG 3.01Å; I384-R388 PolarHBondContact O-N 2.95Å
385D97.4Very high94.4Very high83 Ų8342.9 Ų42.944%0.44424%0.237SC..Hα-helixtrans-63.3-43.5175.9-72.3-22.7000112.2P381 R382 F383 R388 Q389P381-D385 VanDerWaalsContact O-CG 3.31Å; P381-D385 PolarHBondContact O-N 3.39Å; R382-D385 PolarHBondContact O-N 2.83Å; F383-D385 VanDerWaalsContact C-N 3.29Å; F383-D385 PolarHBondContact O-N 2.9Å; D385-R388 PolarHBondContact O-N 3.3Å; D385-Q389 WeakPolarHBondContact O-CG 3.14Å; D385-Q389 PolarHBondContact O-N 3.42Å
386I97.8Very high92.2Very high18 Ų1845.1 Ų45.19%0.09225%0.25CS..Hα-helixtrans-61.3-50.1177.1-68.5162.1000110.7I311 F367 L369 R382 F383 R388 Q389 I390I311-I386 HydrophobicContact CD1-CG2 3.66Å; F367-I386 HydrophobicContact CB-CD1 4.16Å; F367-I386 HydrophobicContact CD1-CD1 3.68Å; F367-I386 HydrophobicContact CD1-CG1 4.28Å; F367-I386 HydrophobicContact CE1-CD1 4.26Å; F367-I386 HydrophobicContact CE1-CG1 4.37Å; F367-I386 HydrophobicContact CG-CD1 3.97Å; L369-I386 HydrophobicContact CD2-CD1 4.11Å; R382-I386 WeakPolarHBondContact O-CD1 3.23Å; R382-I386 VanDerWaalsContact O-CG1 3.26Å; R382-I386 WeakPolarHBondContact O-CG1 3.48Å; R382-I386 PolarHBondContact O-N 3.09Å; R382-I386 VanDerWaalsContact O-N 3.08Å; F383-I386 PolarHBondContact O-N 2.87Å; F383-I386 VanDerWaalsContact O-N 3.14Å; I386-R388 VanDerWaalsContact C-N 3.32Å; I386-R388 PolarHBondContact O-N 3.33Å; I386-Q389 WeakPolarHBondContact O-CB 3.38Å; I386-Q389 PolarHBondContact O-N 2.69Å; I386-Q389 VanDerWaalsContact O-N 3.17Å; I386-I390 HydrophobicContact CG2-CD1 3.69Å; I386-I390 HydrophobicContact CG2-CG1 4.33Å; I386-I390 VanDerWaalsContact O-CG1 3.32Å; I386-I390 WeakPolarHBondContact O-CG1 3.4Å; I386-I390 PolarHBondContact O-N 3.16Å
387I98.1Very high89.6Confident0 Ų048.8 Ų48.80%026%0.261CS..Hα-helixtrans-66-37.4-177.2-167.659.8000111.3I28 M117 V171 L173 V202 F383 I384 Q389 I390 V391I28-I387 HydrophobicContact CD1-CD1 3.93Å; I28-I387 HydrophobicContact CD1-CG1 4.04Å; M117-I387 HydrophobicContact CG-CG2 3.95Å; M117-I387 HydrophobicContact SD-CG1 4.26Å; M117-I387 HydrophobicContact SD-CG2 4.16Å; V171-I387 HydrophobicContact CG1-CD1 4.36Å; L173-I387 HydrophobicContact CD1-CD1 3.82Å; L173-I387 HydrophobicContact CD1-CG1 4.26Å; V202-I387 HydrophobicContact CG2-CD1 4.14Å; F383-I387 HydrophobicContact CE1-CG2 4.47Å; F383-I387 HydrophobicContact CE2-CB 4.1Å; F383-I387 HydrophobicContact CZ-CB 4.1Å; F383-I387 HydrophobicContact CZ-CG1 4.46Å; F383-I387 HydrophobicContact CZ-CG2 4.26Å; F383-I387 PolarHBondContact O-N 3.13Å; I384-I387 VanDerWaalsContact O-CG2 3.29Å; I384-I387 WeakPolarHBondContact O-CG2 3.28Å; I384-I387 PolarHBondContact O-N 3.33Å; I387-Q389 VanDerWaalsContact C-N 3.32Å; I387-Q389 PolarHBondContact O-N 3.44Å; I387-I390 HydrophobicContact CD1-CB 4.35Å; I387-I390 HydrophobicContact CD1-CD1 4.36Å; I387-I390 HydrophobicContact CD1-CG2 4.46Å; I387-I390 PolarHBondContact O-N 2.92Å; I387-V391 HydrophobicContact CD1-CG1 4.26Å; I387-V391 HydrophobicContact CG1-CG1 4.4Å; I387-V391 WeakPolarHBondContact O-CG2 3.26Å; I387-V391 PolarHBondContact O-N 3.21Å
388R97.5Very high86.5Confident11 Ų1153.9 Ų53.94%0.04229%0.293CS..Hα-helixtrans-58.5-42.2172.9-72.9170.972.588.123.1112.1S120 L121 I384 D385 I386 G392 A393 N394 T395S120-R388 PolarHBondContact O-NH1 2.94Å; S120-R388 WeakPolarHBondContact OG-CD 3.26Å; S120-R388 PolarHBondContact OG-NH1 3.37Å; L121-R388 HydrophobicContact CD2-CG 4.09Å; I384-R388 HydrophobicContact CG2-CG 4.4Å; I384-R388 WeakPolarHBondContact O-CB 3.35Å; I384-R388 WeakPolarHBondContact O-CD 3.48Å; I384-R388 WeakPolarHBondContact O-CG 3.01Å; I384-R388 PolarHBondContact O-N 2.95Å; D385-R388 PolarHBondContact O-N 3.3Å; I386-R388 VanDerWaalsContact C-N 3.32Å; I386-R388 PolarHBondContact O-N 3.33Å; R388-G392 CarbonylContact O-C 3.59Å; R388-G392 PolarHBondContact O-N 3.39Å; R388-A393 HydrophobicContact CB-CB 4.15Å; R388-A393 HydrophobicContact CG-CB 4.2Å; R388-A393 PolarHBondContact NH2-O 2.91Å; R388-A393 PolarHBondContact O-N 3.09Å; R388-N394 PolarHBondContact NH2-O 2.82Å; R388-T395 VanDerWaalsContact NE-CG2 3.33Å
389Q96.4Very high83.4Confident157 Ų15761.1 Ų61.173%0.73433%0.331SS*.Hα-helixtrans-64.8-43.7175-70.2172.323.100111.7D385 I386 I387 V391 G392D385-Q389 WeakPolarHBondContact O-CG 3.14Å; D385-Q389 PolarHBondContact O-N 3.42Å; I386-Q389 WeakPolarHBondContact O-CB 3.38Å; I386-Q389 PolarHBondContact O-N 2.69Å; I386-Q389 VanDerWaalsContact O-N 3.17Å; I387-Q389 VanDerWaalsContact C-N 3.32Å; I387-Q389 PolarHBondContact O-N 3.44Å; Q389-V391 VanDerWaalsContact C-N 3.32Å; Q389-V391 PolarHBondContact O-N 3.13Å; Q389-G392 PolarHBondContact O-N 3.14Å
390I97.1Very high80.3Confident17 Ų1766.6 Ų66.69%0.08735%0.353CS..Hα-helixtrans-60.8-41.4179.1-67.9167.8000111.4V171 T200 V202 Y309 I386 I387V171-I390 HydrophobicContact CG1-CG2 3.92Å; V171-I390 HydrophobicContact CG2-CG2 4.03Å; T200-I390 HydrophobicContact CG2-CG2 3.75Å; V202-I390 HydrophobicContact CG2-CD1 3.93Å; V202-I390 HydrophobicContact CG2-CG2 4.23Å; Y309-I390 HydrophobicContact CD1-CD1 3.4Å; Y309-I390 HydrophobicContact CD1-CG1 3.94Å; Y309-I390 HydrophobicContact CD2-CD1 4.11Å; Y309-I390 HydrophobicContact CE1-CD1 3.68Å; Y309-I390 HydrophobicContact CE1-CG1 3.64Å; Y309-I390 HydrophobicContact CE2-CD1 4.36Å; Y309-I390 HydrophobicContact CE2-CG1 4.27Å; Y309-I390 HydrophobicContact CG-CD1 3.65Å; Y309-I390 HydrophobicContact CG-CG1 4.38Å; I386-I390 HydrophobicContact CG2-CD1 3.69Å; I386-I390 HydrophobicContact CG2-CG1 4.33Å; I386-I390 VanDerWaalsContact O-CG1 3.32Å; I386-I390 WeakPolarHBondContact O-CG1 3.4Å; I386-I390 PolarHBondContact O-N 3.16Å; I387-I390 HydrophobicContact CD1-CB 4.35Å; I387-I390 HydrophobicContact CD1-CD1 4.36Å; I387-I390 HydrophobicContact CD1-CG2 4.46Å; I387-I390 PolarHBondContact O-N 2.92Å
391V97.7Very high77.3Confident0 Ų070.5 Ų70.50%038%0.381CS..Hα-helixtrans-89-9.8-178.8-55.20000114K25 Y26 I28 L121 F127 V171 I387 Q389 A393K25-V391 CarbonylContact C-O 3.54Å; K25-V391 VanDerWaalsContact CA-O 3.27Å; K25-V391 WeakPolarHBondContact CA-O 3.39Å; Y26-V391 PolarHBondContact N-O 2.82Å; I28-V391 HydrophobicContact CB-CG1 4.36Å; I28-V391 HydrophobicContact CD1-CG1 4.24Å; L121-V391 HydrophobicContact CD2-CG2 3.67Å; F127-V391 HydrophobicContact CE1-CB 3.71Å; F127-V391 HydrophobicContact CE1-CG1 4.47Å; F127-V391 HydrophobicContact CE1-CG2 3.52Å; F127-V391 HydrophobicContact CE2-CG2 4.24Å; F127-V391 HydrophobicContact CZ-CB 3.72Å; F127-V391 HydrophobicContact CZ-CG2 3.32Å; F127-V391 WeakPolarHBondContact CZ-O 3.13Å; V171-V391 HydrophobicContact CB-CG1 4.2Å; V171-V391 HydrophobicContact CG1-CG1 4.31Å; V171-V391 HydrophobicContact CG2-CG1 3.99Å; I387-V391 HydrophobicContact CD1-CG1 4.26Å; I387-V391 HydrophobicContact CG1-CG1 4.4Å; I387-V391 WeakPolarHBondContact O-CG2 3.26Å; I387-V391 PolarHBondContact O-N 3.21Å; Q389-V391 VanDerWaalsContact C-N 3.32Å; Q389-V391 PolarHBondContact O-N 3.13Å; V391-A393 HydrophobicContact CG2-CB 3.92Å
392G96.6Very high74.1Confident8 Ų876.2 Ų76.28%0.08242%0.42CS..THydrogen-bonded Turntrans8026.6-178.400000115.6S23 R388 Q389S23-G392 PolarHBondContact OG-O 3.21Å; R388-G392 CarbonylContact O-C 3.59Å; R388-G392 PolarHBondContact O-N 3.39Å; Q389-G392 PolarHBondContact O-N 3.14Å
393A94Very high72.9Confident9 Ų975.3 Ų75.37%0.07442%0.423CS..  trans-80.8118-179.100000113L121 D124 F127 R388 V391L121-A393 HydrophobicContact CD2-CB 4.2Å; D124-A393 HydrophobicContact CB-CB 4.35Å; F127-A393 HydrophobicContact CD2-CB 4.08Å; F127-A393 HydrophobicContact CE2-CB 3.44Å; F127-A393 VanDerWaalsContact CE2-CB 3.44Å; F127-A393 HydrophobicContact CZ-CB 3.96Å; R388-A393 HydrophobicContact CB-CB 4.15Å; R388-A393 HydrophobicContact CG-CB 4.2Å; R388-A393 PolarHBondContact NH2-O 2.91Å; R388-A393 PolarHBondContact O-N 3.09Å; V391-A393 HydrophobicContact CG2-CB 3.92Å
394N82Confident71.5Confident66 Ų6679.2 Ų79.235%0.35345%0.446SS..  trans-74.4136.9-179.1-74.2-21.2000112.5D124 R388 T396D124-N394 PolarHBondContact OD2-N 2.65Å; D124-N394 VanDerWaalsContact OD2-N 3.09Å; R388-N394 PolarHBondContact NH2-O 2.82Å; N394-T396 VanDerWaalsContact C-N 3.3Å; N394-T396 PolarHBondContact O-N 3.19Å
395T60.2Low70.1Confident108 Ų10882.6 Ų82.666%0.66347%0.465SS*.  trans-82.68.6-179.338.60000115.1R388 K397R388-T395 VanDerWaalsContact NE-CG2 3.33Å; T395-K397 PolarHBondContact O-N 3.4Å; T395-K397 VanDerWaalsContact O-N 3.12Å
396T48.9Very low68.4Low105 Ų10582.5 Ų82.564%0.64447%0.466SS*.  trans-87.287.6-170.643.30000113.7N394N394-T396 VanDerWaalsContact C-N 3.3Å; N394-T396 PolarHBondContact O-N 3.19Å
397K39.2Very low66.6Low187 Ų18786.6 Ų86.681%0.81349%0.49SS*.  -104.993127.7-90.1-172.8179.6177.10107.4T395 L399T395-K397 PolarHBondContact O-N 3.4Å; T395-K397 VanDerWaalsContact O-N 3.12Å; K397-L399 PolarHBondContact O-N 3.07Å
398T31.6Very low64.5Low107 Ų10792.3 Ų92.366%0.65652%0.522SS*.  trans-52.1104.8154.224.90000108.2N400T398-N400 PolarHBondContact O-N 3Å
399L31.7Very low62.2Low153 Ų15398.1 Ų98.180%0.80156%0.557SS**  trans-66.477.7153.4-96.2146.3000107K397 C401K397-L399 PolarHBondContact O-N 3.07Å; L399-C401 VanDerWaalsContact C-N 3.27Å; L399-C401 PolarHBondContact O-N 2.71Å
400N30.4Very low59.5Low144 Ų14493.6 Ų93.677%0.7754%0.543SS*.  trans-86.680.5154.7-76.7-7.1000106.3T398T398-N400 PolarHBondContact O-N 3Å
401C34.6Very low56.4Low103 Ų103100 Ų10070%0.69658%0.581SS**  trans-91111.4156.3-78.80000106.4L399L399-C401 VanDerWaalsContact C-N 3.27Å; L399-C401 PolarHBondContact O-N 2.71Å
402C30.1Very low52.6Low210 Ų210109.1 Ų109.1100%1.41963%0.634SS**  trans44.40169.5-66.20000118.7

Retrieved 402 of 402 residues in 774.6 ms (Link to these results)

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