A0A3Q0KDL7_SCHMA Loading...

26S proteasome non-ATPase regulatory subunit 7 (M67 family)

AlphaFold DB , UniProt , Accession A0A3Q0KDL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 349 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
1M38.9Very low36.6Very low235 Ų235145.9 Ų145.9100%1.15884%0.837SS**  0119.60-136.9165.8-174.800106.4
2T38Very low36.3Very low129 Ų129150.1 Ų150.179%0.79184%0.838SS**  trans57.595168.448.30000117.6
3L36.1Very low35.8Very low156 Ų156153.6 Ų153.682%0.81784%0.839SS**  56.5101.367.2-66.7171.9000115.3
4H42.6Very low35.2Very low189 Ų189157.1 Ų157.188%0.87584%0.842SS**  -160118.1125.2-119.761.6000112.8
5N37.6Very low34.9Very low159 Ų159154.9 Ų154.985%0.8584%0.837SS**  trans-71.6151.8164.2-79.5-22.8000110
6G34.4Very low34.9Very low75 Ų75152.6 Ų152.677%0.77383%0.832SS**  trans-173.195.5167.300000112.9
7A35.6Very low35.1Very low100 Ų100147.6 Ų147.683%0.82683%0.825SS**  trans61.1102.2147.500000119.5
8D36.2Very low36.3Very low154 Ų154146.2 Ų146.282%0.82481%0.811SS**  trans-15677.8130.3-134.4-9.3000111.4S10D8-S10 VanDerWaalsContact C-N 3.34Å; D8-S10 PolarHBondContact O-N 3.19Å
9E32.2Very low37.8Very low192 Ų192142.6 Ų142.690%0.89779%0.793SS**  trans-81.779.9163.3-85.8-168.1145.700109.2V11E9-V11 PolarHBondContact O-N 3.25Å
10S38.7Very low39.9Very low89 Ų89143.5 Ų143.562%0.62279%0.788SS**  trans-89.596.9164.768.10000109.5D8 K12D8-S10 VanDerWaalsContact C-N 3.34Å; D8-S10 PolarHBondContact O-N 3.19Å; S10-K12 PolarHBondContact O-N 3.46Å
11V32.5Very low42.1Very low127 Ų127136.8 Ų136.877%0.7775%0.751SS**  trans-5499.5170.8176.30000110.1E9 K13E9-V11 PolarHBondContact O-N 3.25Å; V11-K13 PolarHBondContact O-N 3.1Å
12K32.7Very low44.4Very low196 Ų196132.6 Ų132.685%0.85273%0.727SS**  trans-66.596.4165.7-79-178.3176.9177.10108.8S10 K14S10-K12 PolarHBondContact O-N 3.46Å; K12-K14 PolarHBondContact O-N 3.29Å
13K29.4Very low46.9Very low196 Ų196128.8 Ų128.885%0.85270%0.699SS**  trans-53.3107.7163-85.7178.9173.8175.60108.6V11 T15V11-K13 PolarHBondContact O-N 3.1Å; K13-T15 PolarHBondContact O-N 3.12Å; K13-T15 VanDerWaalsContact O-N 3.15Å
14K28.2Very low49.7Very low202 Ų202121.3 Ų121.388%0.87866%0.66SS**  trans-61.9109.6168.4-77.9179174.5177.90108.5K12K12-K14 PolarHBondContact O-N 3.29Å
15T30.5Very low52.1Low125 Ų125112.7 Ų112.777%0.76762%0.621SS**PPolyproline II helixtrans-52.1131160.8-41.50000107.7K13 G17K13-T15 PolarHBondContact O-N 3.12Å; K13-T15 VanDerWaalsContact O-N 3.15Å; T15-G17 PolarHBondContact O-N 3.39Å
16P34.8Very low54.8Low117 Ų117105.2 Ų105.276%0.7658%0.581SS**PPolyproline II helixtrans-58.2118179.824.3-31.8000107.9Q18P16-Q18 PolarHBondContact O-N 3.3Å
17G37.8Very low57.6Low69 Ų69102.2 Ų102.271%0.71155%0.547SS*.PPolyproline II helixtrans-55126-176.100000110T15 T19T15-G17 PolarHBondContact O-N 3.39Å; G17-T19 PolarHBondContact O-N 3.11Å
18Q57Low60.2Low122 Ų12298.9 Ų98.957%0.5752%0.517SS*.  trans-53.9112.2173.3-81.4175-40.900108.5P16 K20 P133 N134P16-Q18 PolarHBondContact O-N 3.3Å; Q18-K20 PolarHBondContact O-N 2.96Å; Q18-K20 VanDerWaalsContact O-N 3.12Å; Q18-P133 PolarHBondContact NE2-O 3.14Å; Q18-N134 WeakPolarHBondContact CG-OD1 3.35Å; Q18-N134 PolarHBondContact NE2-OD1 2.82Å; Q18-N134 VanDerWaalsContact NE2-OD1 3.17Å
19T64.7Low62.9Low77 Ų7795.6 Ų95.647%0.47250%0.498SS..  trans-64.1113.3172.130.40000108.1G17 I21 N134G17-T19 PolarHBondContact O-N 3.11Å; T19-I21 PolarHBondContact O-N 3.29Å; T19-N134 PolarHBondContact O-ND2 3.02Å
20K79.8Confident65.8Low160 Ų16086.5 Ų86.570%0.69646%0.456SS*.  trans-65.9118.8177.3-173172.9-177.7174.60109.1Q18Q18-K20 PolarHBondContact O-N 2.96Å; Q18-K20 VanDerWaalsContact O-N 3.12Å
21I85.6Confident68.3Low3 Ų383.7 Ų83.72%0.01543%0.434CS..  trans-70.8128.7174.4-57.6169.8000107.5T19 V24 L59 L64 N134 V136 L175T19-I21 PolarHBondContact O-N 3.29Å; I21-V24 HydrophobicContact CG2-CG2 4.19Å; I21-L59 HydrophobicContact CD1-CD1 4.47Å; I21-L59 HydrophobicContact CG1-CD1 3.98Å; I21-L64 HydrophobicContact CD1-CB 4.42Å; I21-L64 HydrophobicContact CD1-CD2 4.35Å; I21-L64 HydrophobicContact CG2-CB 3.83Å; I21-N134 HydrophobicContact CD1-CB 4.07Å; I21-V136 HydrophobicContact CD1-CG2 3.57Å; I21-L175 HydrophobicContact CB-CD1 4.37Å; I21-L175 HydrophobicContact CG2-CD1 4.09Å; I21-L175 WeakPolarHBondContact O-CD2 3.26Å
22K87.8Confident71.1Confident147 Ų14783 Ų8364%0.63943%0.425SS*.  trans-106-29.2179.2-69.2-175.6177.9-178.10112.7S62K22-S62 PolarHBondContact N-O 3.02Å
23K91.6Very high73.9Confident49 Ų4975 Ų7521%0.21340%0.398CS..EExtended strand (participates in β ladder)trans-143.1140-172.8-176.5-175.9177.1-175.40109.3V25 I63 L64 R176 E178K23-V25 HydrophobicContact CD-CG2 4.33Å; K23-V25 HydrophobicContact CG-CG2 4.46Å; K23-I63 HydrophobicContact CB-CG1 4.41Å; K23-I63 HydrophobicContact CD-CG2 4.48Å; K23-I63 WeakPolarHBondContact O-CA 3.44Å; K23-L64 PolarHBondContact O-N 3.39Å; K23-R176 WeakPolarHBondContact CA-O 3.45Å; K23-E178 WeakPolarHBondContact CE-OE1 3.44Å; K23-E178 WeakPolarHBondContact CE-OE2 3.5Å; K23-E178 IonicContact NZ-OE1 3Å; K23-E178 IonicContact NZ-OE2 3.18Å; K23-E178 PolarHBondContact NZ-OE2 3.31Å
24V93.2Very high76.8Confident0 Ų065.6 Ų65.60%036%0.358CS..EExtended strand (participates in β ladder)trans-116.3125.1173.9-176.50000108I21 V26 L64 V66 V136 V138 A154 L175 R176 S177 E178I21-V24 HydrophobicContact CG2-CG2 4.19Å; V24-V26 HydrophobicContact CG1-CG2 4.06Å; V24-L64 WeakPolarHBondContact CA-O 3.49Å; V24-L64 HydrophobicContact CG1-CD2 4.32Å; V24-L64 HydrophobicContact CG2-CB 4.4Å; V24-L64 HydrophobicContact CG2-CD2 4.43Å; V24-V66 HydrophobicContact CG1-CG2 3.98Å; V24-V136 HydrophobicContact CG2-CG1 3.99Å; V24-V138 HydrophobicContact CG1-CG2 4.39Å; V24-A154 HydrophobicContact CB-CB 3.89Å; V24-A154 HydrophobicContact CG1-CB 4.29Å; V24-A154 HydrophobicContact CG2-CB 3.78Å; V24-L175 HydrophobicContact CG2-CB 4.26Å; V24-L175 HydrophobicContact CG2-CD1 3.95Å; V24-R176 PolarHBondContact N-O 2.8Å; V24-S177 WeakPolarHBondContact O-CA 3.37Å; V24-E178 PolarHBondContact O-N 3.42Å
25V94.1Very high79.7Confident8 Ų859.3 Ų59.35%0.04834%0.336CS..EExtended strand (participates in β ladder)trans-107.1122.2175.6174.90000107.4K23 I63 L64 V66 E178 D180K23-V25 HydrophobicContact CD-CG2 4.33Å; K23-V25 HydrophobicContact CG-CG2 4.46Å; V25-I63 HydrophobicContact CG2-CG2 3.71Å; V25-L64 PolarHBondContact N-O 2.93Å; V25-V66 WeakPolarHBondContact O-CB 3.39Å; V25-V66 PolarHBondContact O-N 3.1Å; V25-E178 WeakPolarHBondContact CA-O 3.35Å; V25-D180 HydrophobicContact CG1-CB 3.32Å
26V93.4Very high82.5Confident1 Ų157.6 Ų57.61%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-112.1124.4-178.7-175.60000109.2V24 V30 L31 V138 E178 V179 D180V24-V26 HydrophobicContact CG1-CG2 4.06Å; V26-V30 HydrophobicContact CG1-CB 3.94Å; V26-V30 HydrophobicContact CG1-CG1 4.03Å; V26-L31 HydrophobicContact CG1-CD2 3.91Å; V26-L31 HydrophobicContact CG1-CG 4.31Å; V26-V138 HydrophobicContact CG2-CG1 4.42Å; V26-E178 PolarHBondContact N-O 3Å; V26-V179 VanDerWaalsContact O-CA 3.31Å; V26-V179 WeakPolarHBondContact O-CA 3.29Å; V26-V179 WeakPolarHBondContact O-CG1 3.32Å; V26-D180 PolarHBondContact O-N 2.78Å
27H93.2Very high85.2Confident13 Ų1352.6 Ų52.66%0.0629%0.289CS..  trans-74.5143.3177.3-75.1-135.3000111.5L29 V30 D65 V66 D180 E185H27-L29 PolarHBondContact O-N 3.06Å; H27-L29 VanDerWaalsContact O-N 3.15Å; H27-V30 WeakPolarHBondContact O-CB 3.33Å; H27-V30 PolarHBondContact O-N 3.36Å; H27-D65 IonicContact CD2-OD1 3.92Å; H27-D65 PolarHBondContact CD2-OD1 3.44Å; H27-D65 VanDerWaalsContact CD2-OD1 3.23Å; H27-D65 IonicContact CE1-OD1 3.91Å; H27-D65 IonicContact NE2-OD1 3.5Å; H27-D65 PolarHBondContact NE2-OD1 2.96Å; H27-D65 IonicContact NE2-OD2 2.76Å; H27-V66 WeakPolarHBondContact CB-O 3.4Å; H27-V66 PolarHBondContact CD2-O 3.39Å; H27-V66 PolarHBondContact N-O 3.15Å; H27-V66 VanDerWaalsContact N-O 3.1Å; H27-D180 WeakPolarHBondContact CA-O 3.28Å; H27-E185 IonicContact ND1-OE1 3.07Å; H27-E185 IonicContact ND1-OE2 2.59Å
28P91.9Very high87.5Confident30 Ų3050.7 Ų50.720%0.19526%0.26CS..Hα-helixtrans-52.5-32.9176.4-28.833.5000114.2V30 L31 L32 V179 D180 A181 E185 V189P28-V30 VanDerWaalsContact C-N 3.25Å; P28-V30 PolarHBondContact O-N 3.17Å; P28-L31 PolarHBondContact O-N 3.05Å; P28-L31 VanDerWaalsContact O-N 3.13Å; P28-L32 PolarHBondContact O-N 2.89Å; P28-V179 HydrophobicContact CG-CG1 4.1Å; P28-D180 WeakPolarHBondContact CD-O 3.49Å; P28-A181 HydrophobicContact CG-CB 4.02Å; P28-E185 WeakPolarHBondContact CD-OE2 3.5Å; P28-V189 HydrophobicContact CB-CG2 3.98Å; P28-V189 HydrophobicContact CG-CG2 4.27Å
29L92.4Very high89Confident84 Ų8447.7 Ų47.744%0.4425%0.252SS..Hα-helixtrans-57.2-38.6176.2-17569.6000112.7H27 L32 G33 E185H27-L29 PolarHBondContact O-N 3.06Å; H27-L29 VanDerWaalsContact O-N 3.15Å; L29-L32 PolarHBondContact O-N 3.4Å; L29-G33 PolarHBondContact O-N 3.31Å; L29-E185 WeakPolarHBondContact CB-OE1 3.37Å; L29-E185 PolarHBondContact N-OE2 3.15Å
30V92.5Very high90Very high2 Ų250.5 Ų50.51%0.01225%0.254CS..Hα-helixtrans-63.6-45177.3176.80000110.1V26 H27 P28 L32 G33 V34 L55 V66V26-V30 HydrophobicContact CG1-CB 3.94Å; V26-V30 HydrophobicContact CG1-CG1 4.03Å; H27-V30 WeakPolarHBondContact O-CB 3.33Å; H27-V30 PolarHBondContact O-N 3.36Å; P28-V30 VanDerWaalsContact C-N 3.25Å; P28-V30 PolarHBondContact O-N 3.17Å; V30-L32 PolarHBondContact O-N 2.95Å; V30-G33 WeakPolarHBondContact O-CA 3.47Å; V30-G33 PolarHBondContact O-N 3.47Å; V30-G33 VanDerWaalsContact O-N 3.15Å; V30-V34 HydrophobicContact CG1-CG2 4.49Å; V30-V34 WeakPolarHBondContact O-CG2 3.28Å; V30-V34 PolarHBondContact O-N 3.31Å; V30-L55 HydrophobicContact CG1-CD2 3.87Å; V30-V66 HydrophobicContact CG1-CG1 4.42Å; V30-V66 HydrophobicContact CG2-CG1 3.93Å
31L91.5Very high90.1Very high29 Ų2944.6 Ų44.615%0.15223%0.233CC..Hα-helixtrans-62.2-45.4179.7-55.6-177.1000111.4V26 P28 G33 V34 V35 V140 T152 V179V26-L31 HydrophobicContact CG1-CD2 3.91Å; V26-L31 HydrophobicContact CG1-CG 4.31Å; P28-L31 PolarHBondContact O-N 3.05Å; P28-L31 VanDerWaalsContact O-N 3.13Å; L31-G33 VanDerWaalsContact C-N 3.29Å; L31-G33 PolarHBondContact O-N 2.96Å; L31-V34 PolarHBondContact O-N 2.84Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.98Å; L31-V140 HydrophobicContact CD2-CG1 4.13Å; L31-V140 HydrophobicContact CD2-CG2 4.14Å; L31-T152 HydrophobicContact CD1-CG2 4.2Å; L31-T152 HydrophobicContact CD2-CG2 3.3Å; L31-T152 HydrophobicContact CG-CG2 4.37Å; L31-V179 HydrophobicContact CD1-CG1 4.28Å; L31-V179 HydrophobicContact CD1-CG2 4.03Å
32L90.3Very high89.6Confident112 Ų11246.3 Ų46.359%0.58625%0.252SS*.Hα-helixtrans-61-40.7175-173.564.1000111.3P28 L29 V30 V35 D36P28-L32 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 3.4Å; V30-L32 PolarHBondContact O-N 2.95Å; L32-V35 PolarHBondContact O-N 3.4Å; L32-D36 PolarHBondContact O-N 3.05Å
33G91.7Very high88.9Confident28 Ų2847.6 Ų47.629%0.28926%0.257SS..Hα-helixtrans-61.4-41.7175.500000113.4L29 V30 L31 H37L29-G33 PolarHBondContact O-N 3.31Å; V30-G33 WeakPolarHBondContact O-CA 3.47Å; V30-G33 PolarHBondContact O-N 3.47Å; V30-G33 VanDerWaalsContact O-N 3.15Å; L31-G33 VanDerWaalsContact C-N 3.29Å; L31-G33 PolarHBondContact O-N 2.96Å; G33-H37 VanDerWaalsContact O-CB 3.28Å; G33-H37 WeakPolarHBondContact O-CB 3.26Å; G33-H37 PolarHBondContact O-N 3.31Å
34V90.9Very high87.7Confident0 Ų051.1 Ų51.10%028%0.283CS..Hα-helixtrans-66.5-41.5175.9-178.80000111.3V30 L31 H37 Y38 Y111 V140 V142V30-V34 HydrophobicContact CG1-CG2 4.49Å; V30-V34 WeakPolarHBondContact O-CG2 3.28Å; V30-V34 PolarHBondContact O-N 3.31Å; L31-V34 PolarHBondContact O-N 2.84Å; V34-H37 PolarHBondContact O-N 3.48Å; V34-Y38 WeakPolarHBondContact O-CB 3.31Å; V34-Y38 PolarHBondContact O-N 2.92Å; V34-Y111 HydrophobicContact CB-CD2 4.33Å; V34-Y111 HydrophobicContact CB-CE2 4.06Å; V34-Y111 HydrophobicContact CG1-CD2 3.91Å; V34-Y111 HydrophobicContact CG1-CE2 3.76Å; V34-Y111 HydrophobicContact CG2-CD1 4.35Å; V34-Y111 HydrophobicContact CG2-CD2 3.48Å; V34-Y111 VanDerWaalsContact CG2-CD2 3.48Å; V34-Y111 HydrophobicContact CG2-CE1 4.27Å; V34-Y111 HydrophobicContact CG2-CE2 3.42Å; V34-Y111 VanDerWaalsContact CG2-CE2 3.42Å; V34-Y111 HydrophobicContact CG2-CG 3.96Å; V34-V140 HydrophobicContact CB-CG1 4.38Å; V34-V140 HydrophobicContact CG1-CB 4.07Å; V34-V140 HydrophobicContact CG1-CG1 4.2Å; V34-V140 HydrophobicContact CG2-CG2 4.25Å; V34-V142 HydrophobicContact CG1-CG2 4.24Å
35V88.6Confident86.2Confident69 Ų6953.6 Ų53.642%0.41830%0.298SS..Hα-helixtrans-65.1-43.8178.1174.60000111.2L31 L32 Y38 S39 V142L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.98Å; L32-V35 PolarHBondContact O-N 3.4Å; V35-Y38 PolarHBondContact O-N 2.95Å; V35-S39 WeakPolarHBondContact O-CB 3.28Å; V35-S39 PolarHBondContact O-N 2.93Å; V35-V142 HydrophobicContact CG2-CG1 4.28Å
36D90.3Very high84.5Confident89 Ų8960.1 Ų60.148%0.47634%0.344SS..Hα-helixtrans-61.9-45.3173.9178.970.5000111.4L32 Y38 S39 R40L32-D36 PolarHBondContact O-N 3.05Å; D36-Y38 VanDerWaalsContact C-N 3.33Å; D36-Y38 PolarHBondContact O-N 3.23Å; D36-S39 WeakPolarHBondContact O-CB 3.47Å; D36-S39 PolarHBondContact O-N 3.32Å; D36-S39 VanDerWaalsContact O-N 3.16Å; D36-R40 WeakPolarHBondContact O-CG 3.48Å; D36-R40 PolarHBondContact O-N 3.09Å; D36-R40 WeakPolarHBondContact OD2-CD 3.34Å
37H90.3Very high83Confident13 Ų1361.7 Ų61.76%0.0636%0.36CS..Hα-helixtrans-57.9-46.3176.7-178.1-166.6000111.4G33 V34 S39 R40 S41 V52 A71 Y111G33-H37 VanDerWaalsContact O-CB 3.28Å; G33-H37 WeakPolarHBondContact O-CB 3.26Å; G33-H37 PolarHBondContact O-N 3.31Å; V34-H37 PolarHBondContact O-N 3.48Å; H37-S39 VanDerWaalsContact C-N 3.34Å; H37-S39 PolarHBondContact O-N 2.82Å; H37-R40 PolarHBondContact O-N 3.11Å; H37-S41 PolarHBondContact CD2-OG 2.91Å; H37-S41 WeakPolarHBondContact O-CB 3.46Å; H37-S41 PolarHBondContact O-N 3.36Å; H37-S41 PolarHBondContact O-OG 3.2Å; H37-S41 VanDerWaalsContact O-OG 3.13Å; H37-V52 PolarHBondContact CE1-O 3.45Å; H37-A71 HydrophobicContact CB-CB 4.44Å; H37-A71 WeakPolarHBondContact CE1-CB 3.45Å; H37-A71 WeakPolarHBondContact ND1-CB 3.44Å; H37-A71 WeakPolarHBondContact NE2-CB 3.5Å; H37-Y111 AromaticContact ND1-CZ 3.96Å; H37-Y111 PolarHBondContact ND1-OH 3.07Å
38Y87.6Confident81.7Confident28 Ų2867.1 Ų67.111%0.1139%0.385CS..Hα-helixtrans-59.8-43.4176.3-171.4-101.4000112.3V34 V35 D36 S41 G42 V51 V142 R143V34-Y38 WeakPolarHBondContact O-CB 3.31Å; V34-Y38 PolarHBondContact O-N 2.92Å; V35-Y38 PolarHBondContact O-N 2.95Å; D36-Y38 VanDerWaalsContact C-N 3.33Å; D36-Y38 PolarHBondContact O-N 3.23Å; Y38-S41 PolarHBondContact O-N 3.29Å; Y38-G42 PolarHBondContact O-N 2.95Å; Y38-V51 HydrophobicContact CD2-CG2 4.26Å; Y38-V142 HydrophobicContact CD1-CB 4.16Å; Y38-V142 HydrophobicContact CD1-CG1 3.51Å; Y38-V142 HydrophobicContact CD2-CG2 4.36Å; Y38-V142 HydrophobicContact CE1-CB 4.48Å; Y38-V142 HydrophobicContact CE1-CG1 4.1Å; Y38-V142 HydrophobicContact CG-CB 4.2Å; Y38-V142 HydrophobicContact CG-CG1 3.84Å; Y38-V142 HydrophobicContact CG-CG2 4.11Å; Y38-R143 PolarHBondContact OH-NE 3.04Å; Y38-R143 VanDerWaalsContact OH-NE 3.08Å; Y38-R143 PolarHBondContact OH-NH2 2.96Å
39S87.3Confident80.9Confident59 Ų5969.5 Ų69.541%0.41339%0.393SS..Hα-helixtrans-64.5-41.8177.7-176.50000112.6V35 D36 H37 K43V35-S39 WeakPolarHBondContact O-CB 3.28Å; V35-S39 PolarHBondContact O-N 2.93Å; D36-S39 WeakPolarHBondContact O-CB 3.47Å; D36-S39 PolarHBondContact O-N 3.32Å; D36-S39 VanDerWaalsContact O-N 3.16Å; H37-S39 VanDerWaalsContact C-N 3.34Å; H37-S39 PolarHBondContact O-N 2.82Å; S39-K43 PolarHBondContact O-N 3.31Å
40R86.4Confident80.6Confident136 Ų13667 Ų6751%0.51338%0.378SS..Hα-helixtrans-65-45.8176.7-74.2179.654.9-102.9-8111.8D36 H37 K43D36-R40 WeakPolarHBondContact O-CG 3.48Å; D36-R40 PolarHBondContact O-N 3.09Å; D36-R40 WeakPolarHBondContact OD2-CD 3.34Å; H37-R40 PolarHBondContact O-N 3.11Å; R40-K43 PolarHBondContact O-N 3.43Å
41S82Confident80.4Confident36 Ų3667.3 Ų67.325%0.25238%0.379SS..Hα-helixtrans-67.5-36.4-179.9-62.70000112.2H37 Y38 K43 V44 T45 V51H37-S41 PolarHBondContact CD2-OG 2.91Å; H37-S41 WeakPolarHBondContact O-CB 3.46Å; H37-S41 PolarHBondContact O-N 3.36Å; H37-S41 PolarHBondContact O-OG 3.2Å; H37-S41 VanDerWaalsContact O-OG 3.13Å; Y38-S41 PolarHBondContact O-N 3.29Å; S41-K43 PolarHBondContact O-N 2.97Å; S41-V44 PolarHBondContact O-N 3.33Å; S41-T45 PolarHBondContact O-N 2.86Å; S41-T45 VanDerWaalsContact O-N 3.07Å; S41-V51 WeakPolarHBondContact OG-CG1 3.28Å
42G74.4Confident80.5Confident39 Ų3965.9 Ų65.940%0.40237%0.372SS..Hα-helixtrans-65.6-19.9176.700000114.9Y38Y38-G42 PolarHBondContact O-N 2.95Å
43K73.6Confident80.6Confident174 Ų17460.6 Ų60.676%0.75734%0.344SS*.Hα-helixtrans-80.9-30.1173.6-70.1174.7-176.6175.30112.9S39 R40 S41S39-K43 PolarHBondContact O-N 3.31Å; R40-K43 PolarHBondContact O-N 3.43Å; S41-K43 PolarHBondContact O-N 2.97Å
44V66Low80.8Confident124 Ų12459.2 Ų59.275%0.75233%0.33SS*.Hα-helixtrans-86.4-40.1-175.1179.30000110.8S41S41-V44 PolarHBondContact O-N 3.33Å
45T62.7Low80.9Confident52 Ų5259.3 Ų59.332%0.31933%0.331SS..SBendtrans-102.9121.8-178.3-51.90000109.1S41 G47 K49S41-T45 PolarHBondContact O-N 2.86Å; S41-T45 VanDerWaalsContact O-N 3.07Å; T45-G47 PolarHBondContact O-N 3.22Å; T45-K49 HydrophobicContact CG2-CD 3.96Å; T45-K49 HydrophobicContact CG2-CG 4.07Å
46S57.1Low81.2Confident144 Ų14456 Ų56100%1.00731%0.311SS*.SBendtrans-64.619.4175.4-54.70000114.5
47G61.9Low81.3Confident34 Ų3451.8 Ų51.835%0.35129%0.288SS..SBendtrans-145.2136.6173.500000108.7T45 K49T45-G47 PolarHBondContact O-N 3.22Å; G47-K49 PolarHBondContact O-N 2.98Å
48Q65.6Low81.4Confident127 Ų12753 Ų5359%0.59330%0.298SS*.  trans-72.978.9177.8-68.3-177.6-49.800110.1R143Q48-R143 VanDerWaalsContact OE1-CZ 3.24Å
49K76.6Confident81.5Confident80 Ų8055 Ų5535%0.34831%0.31SS..PPolyproline II helixtrans-76155.5177.6-66-166.7178.3-165.50111.3T45 G47 E76T45-K49 HydrophobicContact CG2-CD 3.96Å; T45-K49 HydrophobicContact CG2-CG 4.07Å; G47-K49 PolarHBondContact O-N 2.98Å; K49-E76 PolarHBondContact NZ-O 3.27Å; K49-E76 VanDerWaalsContact NZ-O 3.17Å
50R85.4Confident81.5Confident33 Ų3357.1 Ų57.113%0.12532%0.317CS..PPolyproline II helixtrans-65.8137.4171.674.4-179.7-165.9-139-9.7109.6F74 E76 S113 C118R50-F74 HydrophobicContact CG-CD1 4.45Å; R50-F74 HydrophobicContact CG-CE1 3.98Å; R50-E76 IonicContact CZ-OE1 3.11Å; R50-E76 IonicContact CZ-OE2 3.49Å; R50-E76 IonicContact NE-OE2 3.74Å; R50-E76 PolarHBondContact NE-OE2 3.33Å; R50-E76 IonicContact NH1-OE1 2.66Å; R50-E76 PolarHBondContact NH1-OE1 2.97Å; R50-E76 IonicContact NH1-OE2 2.63Å; R50-E76 PolarHBondContact NH1-OE2 3.09Å; R50-E76 IonicContact NH2-OE1 3.67Å; R50-E76 PolarHBondContact NH2-OE1 3.32Å; R50-E76 IonicContact NH2-OE2 3.59Å; R50-E76 PolarHBondContact NH2-OE2 3.19Å; R50-S113 WeakPolarHBondContact CA-OG 3.48Å; R50-C118 PolarHBondContact NH1-SG 3.23Å; R50-C118 VanDerWaalsContact NH1-SG 3.43Å
51V88.8Confident81.5Confident7 Ų753.2 Ų53.24%0.04232%0.319CS..PPolyproline II helixtrans-103.3142.3173.4-62.30000109.7Y38 S41 H112 S113Y38-V51 HydrophobicContact CD2-CG2 4.26Å; S41-V51 WeakPolarHBondContact OG-CG1 3.28Å; V51-H112 CarbonylContact O-C 3.55Å; V51-H112 WeakPolarHBondContact O-CA 3.29Å; V51-S113 WeakPolarHBondContact CG2-OG 3.43Å; V51-S113 PolarHBondContact N-OG 2.92Å; V51-S113 PolarHBondContact O-N 3.06Å
52V92.4Very high81.8Confident0 Ų053.8 Ų53.80%032%0.323CS..EExtended strand (participates in β ladder)trans-120.2141.4176.7175.50000108.5H37 V72 F74 W110 Y111 H112 F128H37-V52 PolarHBondContact CE1-O 3.45Å; V52-V72 PolarHBondContact O-N 2.94Å; V52-F74 HydrophobicContact CB-CB 3.85Å; V52-F74 HydrophobicContact CB-CD1 4.09Å; V52-F74 HydrophobicContact CB-CD2 4.05Å; V52-F74 HydrophobicContact CB-CG 3.69Å; V52-F74 HydrophobicContact CG2-CB 4.28Å; V52-F74 HydrophobicContact CG2-CD1 3.54Å; V52-F74 HydrophobicContact CG2-CD2 3.92Å; V52-F74 HydrophobicContact CG2-CE1 3.85Å; V52-F74 HydrophobicContact CG2-CE2 4.18Å; V52-F74 HydrophobicContact CG2-CG 3.6Å; V52-F74 HydrophobicContact CG2-CZ 4.17Å; V52-W110 HydrophobicContact CG1-CE3 3.86Å; V52-W110 HydrophobicContact CG1-CZ3 4.3Å; V52-Y111 WeakPolarHBondContact CA-O 3.37Å; V52-H112 HydrophobicContact CG2-CB 4.01Å; V52-F128 HydrophobicContact CG1-CE2 4.49Å
53G93.3Very high82.6Confident0 Ų055.2 Ų55.20%032%0.321CS..EExtended strand (participates in β ladder)trans-150.1173.5172.800000112.5F70 W110 Y111G53-F70 CarbonylContact C-O 3.57Å; G53-F70 VanDerWaalsContact CA-O 3.23Å; G53-F70 WeakPolarHBondContact CA-O 3.48Å; G53-W110 CarbonylContact O-C 3.56Å; G53-W110 VanDerWaalsContact O-CA 3.25Å; G53-W110 WeakPolarHBondContact O-CA 3.46Å; G53-W110 VanDerWaalsContact O-CB 3.31Å; G53-W110 WeakPolarHBondContact O-CB 3.49Å; G53-Y111 VanDerWaalsContact C-CE1 3.42Å; G53-Y111 PolarHBondContact N-O 3.07Å; G53-Y111 WeakPolarHBondContact O-CD1 3.48Å; G53-Y111 PolarHBondContact O-N 3.45Å
54V94.7Very high83.5Confident0 Ų047.1 Ų47.10%029%0.286CS..EExtended strand (participates in β ladder)trans-96.6139-177.2-171.30000109.6S69 F70 V72 L91 I107 F128V54-S69 VanDerWaalsContact O-CA 3.24Å; V54-S69 WeakPolarHBondContact O-CA 3.39Å; V54-S69 WeakPolarHBondContact O-CB 3.3Å; V54-F70 HydrophobicContact CB-CD1 4.24Å; V54-F70 HydrophobicContact CB-CD2 4.46Å; V54-F70 HydrophobicContact CB-CE1 3.71Å; V54-F70 HydrophobicContact CB-CE2 3.96Å; V54-F70 HydrophobicContact CB-CZ 3.56Å; V54-F70 HydrophobicContact CG1-CE1 4.03Å; V54-F70 HydrophobicContact CG1-CZ 4.02Å; V54-F70 HydrophobicContact CG2-CD2 4.46Å; V54-F70 HydrophobicContact CG2-CE1 4.3Å; V54-F70 HydrophobicContact CG2-CE2 3.71Å; V54-F70 HydrophobicContact CG2-CZ 3.62Å; V54-F70 PolarHBondContact N-O 2.97Å; V54-F70 PolarHBondContact O-N 3.28Å; V54-V72 HydrophobicContact CG2-CG2 3.56Å; V54-L91 HydrophobicContact CG2-CD1 3.81Å; V54-L91 HydrophobicContact CG2-CG 4.11Å; V54-I107 HydrophobicContact CG1-CB 4.4Å; V54-I107 HydrophobicContact CG1-CG1 4.04Å; V54-I107 HydrophobicContact CG1-CG2 3.7Å; V54-F128 HydrophobicContact CG2-CE1 3.77Å; V54-F128 HydrophobicContact CG2-CZ 4.2Å
55L94.7Very high84.8Confident2 Ų243.1 Ų43.11%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-95.8129.8172.8-64.5175.2000109.9V30 V66 V108 G109 W110 Y111 V138V30-L55 HydrophobicContact CG1-CD2 3.87Å; L55-V66 HydrophobicContact CB-CG1 4.1Å; L55-V66 HydrophobicContact CD1-CG1 4.5Å; L55-V66 HydrophobicContact CD2-CG1 3.81Å; L55-V66 HydrophobicContact CG-CG1 4.35Å; L55-V108 HydrophobicContact CB-CG2 3.87Å; L55-V108 WeakPolarHBondContact O-CG2 3.49Å; L55-V108 PolarHBondContact O-N 3.14Å; L55-G109 PolarHBondContact N-O 3.2Å; L55-W110 WeakPolarHBondContact CD1-O 3.19Å; L55-Y111 HydrophobicContact CD2-CD1 3.54Å; L55-Y111 HydrophobicContact CD2-CE1 4.47Å; L55-Y111 HydrophobicContact CD2-CG 4.15Å; L55-Y111 HydrophobicContact CG-CD1 4.01Å; L55-V138 HydrophobicContact CD1-CB 3.8Å; L55-V138 HydrophobicContact CD1-CG2 3.45Å; L55-V138 VanDerWaalsContact CD1-CG2 3.45Å
56L93.7Very high86.3Confident0 Ų040.6 Ų40.60%025%0.245CC..EExtended strand (participates in β ladder)trans-109.7142.1174.4-63.5179.6000109.5S67 N68 F70 F95 F98 E105 K106 I107L56-S67 PolarHBondContact O-N 3.19Å; L56-S67 VanDerWaalsContact O-N 3.15Å; L56-N68 WeakPolarHBondContact CA-O 3.34Å; L56-N68 HydrophobicContact CB-CB 4.27Å; L56-N68 PolarHBondContact N-O 3.43Å; L56-N68 PolarHBondContact O-N 2.95Å; L56-F70 HydrophobicContact CD1-CD1 3.79Å; L56-F70 HydrophobicContact CD1-CE1 3.93Å; L56-F70 HydrophobicContact CD2-CE1 4.05Å; L56-F70 HydrophobicContact CG-CD1 4.09Å; L56-F70 HydrophobicContact CG-CE1 4Å; L56-F95 HydrophobicContact CD2-CD2 4.15Å; L56-F95 HydrophobicContact CD2-CE2 4.36Å; L56-F98 HydrophobicContact CD1-CB 3.91Å; L56-F98 HydrophobicContact CD1-CD1 3.89Å; L56-F98 HydrophobicContact CD1-CD2 3.96Å; L56-F98 HydrophobicContact CD1-CE1 4.42Å; L56-F98 HydrophobicContact CD1-CE2 4.48Å; L56-F98 HydrophobicContact CD1-CG 3.64Å; L56-E105 HydrophobicContact CB-CB 4.41Å; L56-K106 WeakPolarHBondContact CA-O 3.41Å; L56-I107 HydrophobicContact CD2-CG1 3.92Å
57G93.1Very high88Confident0 Ų035.1 Ų35.10%021%0.206CC..EExtended strand (participates in β ladder)trans177.7-164.3-178.800000113.2D65 K106G57-D65 CarbonylContact C-O 3.51Å; G57-D65 WeakPolarHBondContact CA-O 3.39Å; G57-K106 PolarHBondContact N-O 3.3Å; G57-K106 PolarHBondContact O-N 3.49Å
58S91.2Very high89.5Confident39 Ų3935.5 Ų35.527%0.27320%0.2SC..EExtended strand (participates in β ladder)trans-134.5148.9178.773.30000111.3D65S58-D65 PolarHBondContact N-O 3.42Å; S58-D65 PolarHBondContact O-N 2.97Å
59L89.9Confident90.8Very high68 Ų6830.1 Ų30.136%0.35618%0.177SC..EExtended strand (participates in β ladder)trans-101.9104.8177-178.666.1000109.5I21 G61 L64I21-L59 HydrophobicContact CD1-CD1 4.47Å; I21-L59 HydrophobicContact CG1-CD1 3.98Å; L59-G61 PolarHBondContact O-N 2.72Å; L59-L64 HydrophobicContact CB-CD1 4.41Å; L59-L64 HydrophobicContact CD1-CB 4.32Å; L59-L64 HydrophobicContact CD1-CD1 4.25Å
60N87.6Confident91.6Very high104 Ų10427 Ų2756%0.55616%0.164SC*.EExtended strand (participates in β ladder)trans-96.785.7178.2-69.4-24.5000109.3S62 I63N60-S62 PolarHBondContact O-N 2.83Å; N60-I63 PolarHBondContact N-O 3.1Å; N60-I63 PolarHBondContact O-N 2.98Å
61G86.3Confident92Very high54 Ų5426.6 Ų26.656%0.55717%0.167SC*.THydrogen-bonded Turntrans70.1-100-177.600000112.4L59L59-G61 PolarHBondContact O-N 2.72Å
62S89.1Confident92.1Very high48 Ų4826.3 Ų26.334%0.33617%0.165SC..THydrogen-bonded Turntrans-114.60.7179.366.40000114K22 N60K22-S62 PolarHBondContact N-O 3.02Å; N60-S62 PolarHBondContact O-N 2.83Å
63I91.9Very high91.9Very high70 Ų7029.5 Ų29.536%0.35919%0.186SC..EExtended strand (participates in β ladder)trans-104.6122.4177.7-56.7174.1000107K23 V25 N60K23-I63 HydrophobicContact CB-CG1 4.41Å; K23-I63 HydrophobicContact CD-CG2 4.48Å; K23-I63 WeakPolarHBondContact O-CA 3.44Å; V25-I63 HydrophobicContact CG2-CG2 3.71Å; N60-I63 PolarHBondContact N-O 3.1Å; N60-I63 PolarHBondContact O-N 2.98Å
64L92.7Very high91.7Very high3 Ų330.7 Ų30.72%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-88.8120.9172-178.668.6000108.6I21 K23 V24 V25 L59 V66 V108 V136I21-L64 HydrophobicContact CD1-CB 4.42Å; I21-L64 HydrophobicContact CD1-CD2 4.35Å; I21-L64 HydrophobicContact CG2-CB 3.83Å; K23-L64 PolarHBondContact O-N 3.39Å; V24-L64 WeakPolarHBondContact CA-O 3.49Å; V24-L64 HydrophobicContact CG1-CD2 4.32Å; V24-L64 HydrophobicContact CG2-CB 4.4Å; V24-L64 HydrophobicContact CG2-CD2 4.43Å; V25-L64 PolarHBondContact N-O 2.93Å; L59-L64 HydrophobicContact CB-CD1 4.41Å; L59-L64 HydrophobicContact CD1-CB 4.32Å; L59-L64 HydrophobicContact CD1-CD1 4.25Å; L64-V66 HydrophobicContact CD2-CG2 4.28Å; L64-V66 HydrophobicContact CG-CG2 4.3Å; L64-V108 HydrophobicContact CD1-CB 3.57Å; L64-V108 HydrophobicContact CD1-CG1 3.52Å; L64-V108 HydrophobicContact CD1-CG2 4.23Å; L64-V108 HydrophobicContact CD2-CB 4.1Å; L64-V108 HydrophobicContact CD2-CG2 4.28Å; L64-V108 HydrophobicContact CG-CB 4.31Å; L64-V136 HydrophobicContact CD2-CB 3.86Å; L64-V136 HydrophobicContact CD2-CG1 4.31Å; L64-V136 HydrophobicContact CD2-CG2 3.62Å
65D93.3Very high91.3Very high40 Ų4037 Ų3721%0.21422%0.221CC..EExtended strand (participates in β ladder)trans-106.3115.1179.6-169.616.2000109.3H27 G57 S58H27-D65 IonicContact CD2-OD1 3.92Å; H27-D65 PolarHBondContact CD2-OD1 3.44Å; H27-D65 VanDerWaalsContact CD2-OD1 3.23Å; H27-D65 IonicContact CE1-OD1 3.91Å; H27-D65 IonicContact NE2-OD1 3.5Å; H27-D65 PolarHBondContact NE2-OD1 2.96Å; H27-D65 IonicContact NE2-OD2 2.76Å; G57-D65 CarbonylContact C-O 3.51Å; G57-D65 WeakPolarHBondContact CA-O 3.39Å; S58-D65 PolarHBondContact N-O 3.42Å; S58-D65 PolarHBondContact O-N 2.97Å
66V93.9Very high90.8Very high0 Ų038.8 Ų38.80%023%0.229CC..EExtended strand (participates in β ladder)trans-101.8100-175.7-173.10000108.6V24 V25 H27 V30 L55 L64 V108V24-V66 HydrophobicContact CG1-CG2 3.98Å; V25-V66 WeakPolarHBondContact O-CB 3.39Å; V25-V66 PolarHBondContact O-N 3.1Å; H27-V66 WeakPolarHBondContact CB-O 3.4Å; H27-V66 PolarHBondContact CD2-O 3.39Å; H27-V66 PolarHBondContact N-O 3.15Å; H27-V66 VanDerWaalsContact N-O 3.1Å; V30-V66 HydrophobicContact CG1-CG1 4.42Å; V30-V66 HydrophobicContact CG2-CG1 3.93Å; L55-V66 HydrophobicContact CB-CG1 4.1Å; L55-V66 HydrophobicContact CD1-CG1 4.5Å; L55-V66 HydrophobicContact CD2-CG1 3.81Å; L55-V66 HydrophobicContact CG-CG1 4.35Å; L64-V66 HydrophobicContact CD2-CG2 4.28Å; L64-V66 HydrophobicContact CG-CG2 4.3Å; V66-V108 HydrophobicContact CG2-CG2 4.44Å
67S91.6Very high90.2Very high28 Ų2841.8 Ų41.820%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-84.4-42-176.955.60000112.6L56 E105L56-S67 PolarHBondContact O-N 3.19Å; L56-S67 VanDerWaalsContact O-N 3.15Å; S67-E105 PolarHBondContact OG-OE1 2.97Å
68N93.3Very high89.5Confident42 Ų4247.6 Ų47.623%0.22528%0.281CS..EExtended strand (participates in β ladder)trans-143.4165.3-169.7-155-7.3000111.8L56L56-N68 WeakPolarHBondContact CA-O 3.34Å; L56-N68 HydrophobicContact CB-CB 4.27Å; L56-N68 PolarHBondContact N-O 3.43Å; L56-N68 PolarHBondContact O-N 2.95Å
69S93Very high89Confident15 Ų1550.9 Ų50.911%0.10530%0.299CS..EExtended strand (participates in β ladder)trans-150.9154.9176.474.80000111V54V54-S69 VanDerWaalsContact O-CA 3.24Å; V54-S69 WeakPolarHBondContact O-CA 3.39Å; V54-S69 WeakPolarHBondContact O-CB 3.3Å
70F93.6Very high88.6Confident15 Ų1552 Ų527%0.06631%0.305CS..EExtended strand (participates in β ladder)trans-136.7147.4171.864.7-91.7000111.6G53 V54 L56 V72 M94 F98G53-F70 CarbonylContact C-O 3.57Å; G53-F70 VanDerWaalsContact CA-O 3.23Å; G53-F70 WeakPolarHBondContact CA-O 3.48Å; V54-F70 HydrophobicContact CB-CD1 4.24Å; V54-F70 HydrophobicContact CB-CD2 4.46Å; V54-F70 HydrophobicContact CB-CE1 3.71Å; V54-F70 HydrophobicContact CB-CE2 3.96Å; V54-F70 HydrophobicContact CB-CZ 3.56Å; V54-F70 HydrophobicContact CG1-CE1 4.03Å; V54-F70 HydrophobicContact CG1-CZ 4.02Å; V54-F70 HydrophobicContact CG2-CD2 4.46Å; V54-F70 HydrophobicContact CG2-CE1 4.3Å; V54-F70 HydrophobicContact CG2-CE2 3.71Å; V54-F70 HydrophobicContact CG2-CZ 3.62Å; V54-F70 PolarHBondContact N-O 2.97Å; V54-F70 PolarHBondContact O-N 3.28Å; L56-F70 HydrophobicContact CD1-CD1 3.79Å; L56-F70 HydrophobicContact CD1-CE1 3.93Å; L56-F70 HydrophobicContact CD2-CE1 4.05Å; L56-F70 HydrophobicContact CG-CD1 4.09Å; L56-F70 HydrophobicContact CG-CE1 4Å; F70-V72 HydrophobicContact CD2-CG2 4.14Å; F70-V72 HydrophobicContact CE2-CG2 3.82Å; F70-M94 HydrophobicContact CD2-CB 4.17Å; F70-M94 HydrophobicContact CE2-CB 3.87Å; F70-M94 HydrophobicContact CZ-CB 4.21Å; F70-F98 HydrophobicContact CB-CE2 3.79Å; F70-F98 HydrophobicContact CB-CZ 4.15Å; F70-F98 AromaticContact CD1-CD2 3.84Å; F70-F98 HydrophobicContact CD1-CD2 3.84Å; F70-F98 AromaticContact CD1-CE2 3.62Å; F70-F98 HydrophobicContact CD1-CE2 3.62Å; F70-F98 HydrophobicContact CD1-CZ 4.43Å; F70-F98 HydrophobicContact CE1-CD2 4.18Å; F70-F98 HydrophobicContact CE1-CE2 4.39Å; F70-F98 HydrophobicContact CG-CD2 4.42Å; F70-F98 AromaticContact CG-CE2 3.83Å; F70-F98 HydrophobicContact CG-CE2 3.83Å
71A93Very high88Confident23 Ų2350.6 Ų50.619%0.1930%0.302CS..EExtended strand (participates in β ladder)trans-70.2136.617700000111.1H37 Y90H37-A71 HydrophobicContact CB-CB 4.44Å; H37-A71 WeakPolarHBondContact CE1-CB 3.45Å; H37-A71 WeakPolarHBondContact ND1-CB 3.44Å; H37-A71 WeakPolarHBondContact NE2-CB 3.5Å; A71-Y90 VanDerWaalsContact O-CE1 3.28Å; A71-Y90 WeakPolarHBondContact O-CE1 3.37Å
72V91.5Very high87.7Confident2 Ų252.8 Ų52.81%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-113.8136.4168.3177.80000108.1V52 V54 F70 F74 L86V52-V72 PolarHBondContact O-N 2.94Å; V54-V72 HydrophobicContact CG2-CG2 3.56Å; F70-V72 HydrophobicContact CD2-CG2 4.14Å; F70-V72 HydrophobicContact CE2-CG2 3.82Å; V72-F74 PolarHBondContact O-N 3.42Å; V72-L86 HydrophobicContact CG1-CD2 4.41Å; V72-L86 HydrophobicContact CG1-CG 4.07Å
73P89.7Confident87.6Confident67 Ų6754.7 Ų54.744%0.43531%0.31SS..  trans-54.7113.2170.3-24.634.7000110D87 Y90P73-D87 HydrophobicContact CB-CB 4.49Å; P73-Y90 HydrophobicContact CG-CD1 4.48Å
74F88.6Confident87.4Confident25 Ų2553.8 Ų53.811%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-131.7126.1-177.3178.8-95.7000109.1R50 V52 V72 E76 W84 F85 L86 I124R50-F74 HydrophobicContact CG-CD1 4.45Å; R50-F74 HydrophobicContact CG-CE1 3.98Å; V52-F74 HydrophobicContact CB-CB 3.85Å; V52-F74 HydrophobicContact CB-CD1 4.09Å; V52-F74 HydrophobicContact CB-CD2 4.05Å; V52-F74 HydrophobicContact CB-CG 3.69Å; V52-F74 HydrophobicContact CG2-CB 4.28Å; V52-F74 HydrophobicContact CG2-CD1 3.54Å; V52-F74 HydrophobicContact CG2-CD2 3.92Å; V52-F74 HydrophobicContact CG2-CE1 3.85Å; V52-F74 HydrophobicContact CG2-CE2 4.18Å; V52-F74 HydrophobicContact CG2-CG 3.6Å; V52-F74 HydrophobicContact CG2-CZ 4.17Å; V72-F74 PolarHBondContact O-N 3.42Å; F74-E76 HydrophobicContact CE1-CB 3.9Å; F74-E76 HydrophobicContact CZ-CB 4.16Å; F74-W84 HydrophobicContact CE2-CB 3.9Å; F74-W84 HydrophobicContact CE2-CD2 4.28Å; F74-W84 AromaticContact CE2-CE3 3.86Å; F74-W84 HydrophobicContact CE2-CE3 3.86Å; F74-W84 HydrophobicContact CE2-CG 4.34Å; F74-W84 HydrophobicContact CZ-CB 3.79Å; F74-W84 HydrophobicContact CZ-CG 4.44Å; F74-F85 WeakPolarHBondContact CA-O 3.36Å; F74-F85 VanDerWaalsContact CD2-O 3.3Å; F74-F85 WeakPolarHBondContact CD2-O 3.41Å; F74-L86 HydrophobicContact CD2-CB 4.41Å; F74-I124 HydrophobicContact CE2-CD1 3.86Å; F74-I124 HydrophobicContact CZ-CD1 3.9Å
75E85.8Confident87.2Confident133 Ų13359.7 Ų59.762%0.62133%0.328SS*.EExtended strand (participates in β ladder)trans-126.1134.2174.3-66.7-168.3-179.400109.7W84 F85E75-W84 CarbonylContact O-C 3.52Å; E75-W84 VanDerWaalsContact O-CA 3.23Å; E75-W84 WeakPolarHBondContact O-CA 3.35Å; E75-F85 PolarHBondContact N-O 3.45Å; E75-F85 PolarHBondContact O-N 2.96Å
76E83.3Confident87Confident39 Ų3958.3 Ų58.318%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-118.5140168.7-172.7-178.5-143.800108K49 R50 F74 N120K49-E76 PolarHBondContact NZ-O 3.27Å; K49-E76 VanDerWaalsContact NZ-O 3.17Å; R50-E76 IonicContact CZ-OE1 3.11Å; R50-E76 IonicContact CZ-OE2 3.49Å; R50-E76 IonicContact NE-OE2 3.74Å; R50-E76 PolarHBondContact NE-OE2 3.33Å; R50-E76 IonicContact NH1-OE1 2.66Å; R50-E76 PolarHBondContact NH1-OE1 2.97Å; R50-E76 IonicContact NH1-OE2 2.63Å; R50-E76 PolarHBondContact NH1-OE2 3.09Å; R50-E76 IonicContact NH2-OE1 3.67Å; R50-E76 PolarHBondContact NH2-OE1 3.32Å; R50-E76 IonicContact NH2-OE2 3.59Å; R50-E76 PolarHBondContact NH2-OE2 3.19Å; F74-E76 HydrophobicContact CE1-CB 3.9Å; F74-E76 HydrophobicContact CZ-CB 4.16Å; E76-N120 PolarHBondContact OE1-ND2 2.97Å
77D82.5Confident86.9Confident63 Ų6360.5 Ų60.534%0.33733%0.332SS..  trans-74.9137169.6-173.619.8000110.4T79 D80 V83D77-T79 VanDerWaalsContact C-N 3.32Å; D77-T79 PolarHBondContact OD1-N 3.05Å; D77-D80 PolarHBondContact OD2-N 3.36Å; D77-V83 HydrophobicContact CB-CB 4.35Å; D77-V83 PolarHBondContact N-O 3.33Å; D77-V83 VanDerWaalsContact N-O 3.11Å
78T78Confident86.7Confident122 Ų12262.3 Ų62.375%0.74834%0.338SS*.SBendtrans-77.1-22.7178.348.80000112.6
79T80.1Confident86.6Confident108 Ų10866.2 Ų66.266%0.66336%0.359SS*.SBendtrans-86.6-51.6-179-58.20000110.7D77D77-T79 VanDerWaalsContact C-N 3.32Å; D77-T79 PolarHBondContact OD1-N 3.05Å
80D81.1Confident86.6Confident91 Ų9169.7 Ų69.749%0.48737%0.37SS..  trans-109.9104.3179-69.4-30.9000111.1D77 D82 V83D77-D80 PolarHBondContact OD2-N 3.36Å; D80-D82 PolarHBondContact O-N 3.04Å; D80-D82 VanDerWaalsContact O-N 3.15Å; D80-V83 HydrophobicContact CB-CB 4.5Å; D80-V83 HydrophobicContact CB-CG2 4.04Å; D80-V83 PolarHBondContact O-N 3.48Å; D80-V83 VanDerWaalsContact O-N 3.11Å
81P75.5Confident86.4Confident74 Ų7469 Ų6948%0.48137%0.367SS..THydrogen-bonded Turntrans-61-29.4-179.123.4-32.4000111.8V83 N120P81-V83 PolarHBondContact O-N 3.22Å; P81-N120 VanDerWaalsContact C-ND2 3.27Å; P81-N120 WeakPolarHBondContact CB-ND2 3.42Å; P81-N120 PolarHBondContact O-ND2 3.33Å; P81-N120 PolarHBondContact O-OD1 2.86Å; P81-N120 VanDerWaalsContact O-OD1 3.14Å
82D80.6Confident86.4Confident101 Ų10172.8 Ų72.854%0.5438%0.381SS..THydrogen-bonded Turntrans-67.7-17.2-178.6-79.3-22.1000113.9D80 K123D80-D82 PolarHBondContact O-N 3.04Å; D80-D82 VanDerWaalsContact O-N 3.15Å; D82-K123 IonicContact OD1-NZ 2.73Å; D82-K123 PolarHBondContact OD1-NZ 2.88Å; D82-K123 IonicContact OD2-NZ 3.6Å
83V86.3Confident86.4Confident87 Ų8775.7 Ų75.753%0.52740%0.401SS..  trans-96106.8-180-175.30000109.7D77 D80 P81D77-V83 HydrophobicContact CB-CB 4.35Å; D77-V83 PolarHBondContact N-O 3.33Å; D77-V83 VanDerWaalsContact N-O 3.11Å; D80-V83 HydrophobicContact CB-CB 4.5Å; D80-V83 HydrophobicContact CB-CG2 4.04Å; D80-V83 PolarHBondContact O-N 3.48Å; D80-V83 VanDerWaalsContact O-N 3.11Å; P81-V83 PolarHBondContact O-N 3.22Å
84W88.2Confident86.6Confident52 Ų5274.2 Ų74.220%0.19739%0.389CS..EExtended strand (participates in β ladder)trans-138151.1173.754.9-88.8000110.6F74 E75 L86 K123 I124 L127F74-W84 HydrophobicContact CE2-CB 3.9Å; F74-W84 HydrophobicContact CE2-CD2 4.28Å; F74-W84 AromaticContact CE2-CE3 3.86Å; F74-W84 HydrophobicContact CE2-CE3 3.86Å; F74-W84 HydrophobicContact CE2-CG 4.34Å; F74-W84 HydrophobicContact CZ-CB 3.79Å; F74-W84 HydrophobicContact CZ-CG 4.44Å; E75-W84 CarbonylContact O-C 3.52Å; E75-W84 VanDerWaalsContact O-CA 3.23Å; E75-W84 WeakPolarHBondContact O-CA 3.35Å; W84-L86 HydrophobicContact CE3-CB 4.11Å; W84-L86 HydrophobicContact CZ3-CB 3.79Å; W84-K123 HydrophobicContact CZ2-CB 3.9Å; W84-I124 HydrophobicContact CD2-CD1 4.46Å; W84-I124 HydrophobicContact CD2-CG1 3.93Å; W84-I124 HydrophobicContact CE3-CG1 4.03Å; W84-I124 HydrophobicContact CH2-CB 4.21Å; W84-I124 HydrophobicContact CH2-CG1 3.65Å; W84-I124 HydrophobicContact CZ2-CB 4.41Å; W84-I124 HydrophobicContact CZ2-CG1 3.64Å; W84-I124 HydrophobicContact CZ3-CG1 3.89Å; W84-L127 HydrophobicContact CH2-CD1 3.19Å; W84-L127 HydrophobicContact CH2-CG 3.83Å; W84-L127 HydrophobicContact CZ2-CD1 4.25Å; W84-L127 HydrophobicContact CZ3-CD1 3.63Å
85F88.2Confident86.7Confident127 Ų12775.3 Ų75.356%0.55739%0.393SS*.EExtended strand (participates in β ladder)trans-119132.7180-177.8-96.7000109.8F74 E75 D87F74-F85 WeakPolarHBondContact CA-O 3.36Å; F74-F85 VanDerWaalsContact CD2-O 3.3Å; F74-F85 WeakPolarHBondContact CD2-O 3.41Å; E75-F85 PolarHBondContact N-O 3.45Å; E75-F85 PolarHBondContact O-N 2.96Å; F85-D87 HydrophobicContact CE1-CB 4.1Å
86L89.1Confident87Confident10 Ų1072.3 Ų72.35%0.05238%0.384CS..EExtended strand (participates in β ladder)trans-133.2125.5173.1-175.5146.5000108.4V72 F74 W84 H88 F128V72-L86 HydrophobicContact CG1-CD2 4.41Å; V72-L86 HydrophobicContact CG1-CG 4.07Å; F74-L86 HydrophobicContact CD2-CB 4.41Å; W84-L86 HydrophobicContact CE3-CB 4.11Å; W84-L86 HydrophobicContact CZ3-CB 3.79Å; L86-H88 PolarHBondContact O-N 2.92Å; L86-F128 HydrophobicContact CD1-CE2 3.81Å; L86-F128 HydrophobicContact CD1-CZ 3.8Å
87D91.2Very high87.4Confident46 Ų4675.2 Ų75.225%0.24640%0.399CS..  trans-78.8104.3179.5-170-20.7000111.2P73 F85 D89 Y90 L91P73-D87 HydrophobicContact CB-CB 4.49Å; F85-D87 HydrophobicContact CE1-CB 4.1Å; D87-D89 PolarHBondContact OD1-N 3.44Å; D87-Y90 VanDerWaalsContact CG-CB 3.42Å; D87-Y90 PolarHBondContact OD1-N 3Å; D87-Y90 WeakPolarHBondContact OD2-CB 3.32Å; D87-L91 PolarHBondContact O-N 3.04Å
88H88.2Confident87.8Confident67 Ų6774.7 Ų74.731%0.3139%0.394SS..Hα-helixtrans-73.4-34.6177.5-68.6-61.1000113.3L86 Y90 L91 E92L86-H88 PolarHBondContact O-N 2.92Å; H88-Y90 VanDerWaalsContact C-N 3.35Å; H88-L91 WeakPolarHBondContact O-CB 3.47Å; H88-L91 PolarHBondContact O-N 3.2Å; H88-E92 PolarHBondContact O-N 2.82Å
89D91.5Very high88.4Confident124 Ų12474.8 Ų74.866%0.66338%0.384SS*.Hα-helixtrans-69.7-39.4-177.3-67.2-26.7000110.1D87 S93D87-D89 PolarHBondContact OD1-N 3.44Å; D89-S93 VanDerWaalsContact O-CB 3.26Å; D89-S93 WeakPolarHBondContact O-CB 3.43Å; D89-S93 PolarHBondContact O-N 3.36Å; D89-S93 PolarHBondContact O-OG 2.95Å
90Y92.5Very high89Confident87 Ų8777.9 Ų77.934%0.34139%0.388SS..Hα-helixtrans-62.4-43.9172.2-175.9-94.2000111.6A71 P73 D87 H88 S93 M94A71-Y90 VanDerWaalsContact O-CE1 3.28Å; A71-Y90 WeakPolarHBondContact O-CE1 3.37Å; P73-Y90 HydrophobicContact CG-CD1 4.48Å; D87-Y90 VanDerWaalsContact CG-CB 3.42Å; D87-Y90 PolarHBondContact OD1-N 3Å; D87-Y90 WeakPolarHBondContact OD2-CB 3.32Å; H88-Y90 VanDerWaalsContact C-N 3.35Å; Y90-S93 PolarHBondContact O-N 3.48Å; Y90-M94 HydrophobicContact CD1-CG 3.94Å; Y90-M94 HydrophobicContact CD2-CG 4.28Å; Y90-M94 HydrophobicContact CE1-CB 4.48Å; Y90-M94 HydrophobicContact CE1-CG 3.46Å; Y90-M94 VanDerWaalsContact CE1-CG 3.46Å; Y90-M94 HydrophobicContact CE2-CE 4.35Å; Y90-M94 HydrophobicContact CE2-CG 3.85Å; Y90-M94 HydrophobicContact CE2-SD 4.3Å; Y90-M94 HydrophobicContact CG-CG 4.33Å; Y90-M94 VanDerWaalsContact CZ-CG 3.42Å; Y90-M94 VanDerWaalsContact O-CB 3.32Å; Y90-M94 WeakPolarHBondContact O-CB 3.21Å; Y90-M94 WeakPolarHBondContact O-CG 3.3Å; Y90-M94 PolarHBondContact O-N 3.32Å
91L90.8Very high89.6Confident2 Ų279.7 Ų79.71%0.0140%0.403CS..Hα-helixtrans-58.6-49.6178.1-178159.9000111.6V54 D87 H88 F95 I107 F128 Y131V54-L91 HydrophobicContact CG2-CD1 3.81Å; V54-L91 HydrophobicContact CG2-CG 4.11Å; D87-L91 PolarHBondContact O-N 3.04Å; H88-L91 WeakPolarHBondContact O-CB 3.47Å; H88-L91 PolarHBondContact O-N 3.2Å; L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 2.89Å; L91-I107 HydrophobicContact CD2-CD1 4.07Å; L91-F128 HydrophobicContact CD1-CD1 4.42Å; L91-F128 HydrophobicContact CD1-CE1 3.63Å; L91-F128 HydrophobicContact CD1-CZ 4.31Å; L91-Y131 HydrophobicContact CD1-CE2 4.36Å; L91-Y131 HydrophobicContact CD2-CD1 4.24Å; L91-Y131 HydrophobicContact CD2-CE1 3.92Å; L91-Y131 HydrophobicContact CD2-CE2 4.19Å
92E91Very high90.2Very high102 Ų10279 Ų7948%0.47740%0.395SS..Hα-helixtrans-68-39.5-179-72.3-173.8-175.600112.6H88 T96 Y131H88-E92 PolarHBondContact O-N 2.82Å; E92-T96 WeakPolarHBondContact O-CB 3.37Å; E92-T96 PolarHBondContact O-N 3.33Å; E92-T96 PolarHBondContact O-OG1 2.81Å; E92-Y131 HydrophobicContact CG-CE1 4.04Å; E92-Y131 PolarHBondContact OE1-OH 3.39Å
93S93.4Very high90.5Very high62 Ų6278.1 Ų78.143%0.43440%0.401SS..Hα-helixtrans-63.3-49.4177.1-63.20000111.3D89 Y90 T96 M97D89-S93 VanDerWaalsContact O-CB 3.26Å; D89-S93 WeakPolarHBondContact O-CB 3.43Å; D89-S93 PolarHBondContact O-N 3.36Å; D89-S93 PolarHBondContact O-OG 2.95Å; Y90-S93 PolarHBondContact O-N 3.48Å; S93-T96 PolarHBondContact O-N 3.39Å; S93-M97 WeakPolarHBondContact O-CG 3.28Å; S93-M97 PolarHBondContact O-N 3.41Å; S93-M97 VanDerWaalsContact O-N 3.12Å
94M92.1Very high90.6Very high37 Ų3784 Ų8418%0.18241%0.414CS..Hα-helixtrans-64.5-44.5177.1-75.8-60.9103.600111.8F70 Y90 T96 M97 F98F70-M94 HydrophobicContact CD2-CB 4.17Å; F70-M94 HydrophobicContact CE2-CB 3.87Å; F70-M94 HydrophobicContact CZ-CB 4.21Å; Y90-M94 HydrophobicContact CD1-CG 3.94Å; Y90-M94 HydrophobicContact CD2-CG 4.28Å; Y90-M94 HydrophobicContact CE1-CB 4.48Å; Y90-M94 HydrophobicContact CE1-CG 3.46Å; Y90-M94 VanDerWaalsContact CE1-CG 3.46Å; Y90-M94 HydrophobicContact CE2-CE 4.35Å; Y90-M94 HydrophobicContact CE2-CG 3.85Å; Y90-M94 HydrophobicContact CE2-SD 4.3Å; Y90-M94 HydrophobicContact CG-CG 4.33Å; Y90-M94 VanDerWaalsContact CZ-CG 3.42Å; Y90-M94 VanDerWaalsContact O-CB 3.32Å; Y90-M94 WeakPolarHBondContact O-CB 3.21Å; Y90-M94 WeakPolarHBondContact O-CG 3.3Å; Y90-M94 PolarHBondContact O-N 3.32Å; M94-T96 VanDerWaalsContact C-N 3.25Å; M94-T96 PolarHBondContact O-N 3.5Å; M94-M97 HydrophobicContact CE-CE 3.49Å; M94-M97 VanDerWaalsContact CE-CE 3.49Å; M94-M97 HydrophobicContact CE-SD 3.42Å; M94-M97 WeakPolarHBondContact CE-SD 3.37Å; M94-M97 WeakPolarHBondContact O-CA 3.48Å; M94-M97 WeakPolarHBondContact O-CB 3.47Å; M94-M97 PolarHBondContact O-N 2.84Å; M94-M97 HydrophobicContact SD-SD 4.45Å; M94-F98 WeakPolarHBondContact O-CD2 3.49Å; M94-F98 PolarHBondContact O-N 3.49Å
95F91Very high90.5Very high47 Ų4782.6 Ų82.621%0.20641%0.41CS..Hα-helixtrans-59-40.2177.1177.7-119000111.7L56 L91 M97 F98 K99 I107L56-F95 HydrophobicContact CD2-CD2 4.15Å; L56-F95 HydrophobicContact CD2-CE2 4.36Å; L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 2.89Å; F95-M97 VanDerWaalsContact C-N 3.3Å; F95-M97 PolarHBondContact O-N 3.08Å; F95-F98 PolarHBondContact O-N 2.98Å; F95-K99 HydrophobicContact CE1-CD 4.47Å; F95-K99 HydrophobicContact CZ-CD 4.45Å; F95-K99 VanDerWaalsContact O-CB 3.26Å; F95-K99 WeakPolarHBondContact O-CB 3.47Å; F95-K99 PolarHBondContact O-N 2.82Å; F95-I107 HydrophobicContact CB-CD1 4.19Å; F95-I107 HydrophobicContact CD1-CD1 4.04Å; F95-I107 HydrophobicContact CD2-CD1 3.71Å; F95-I107 HydrophobicContact CD2-CG1 3.53Å; F95-I107 HydrophobicContact CE1-CD1 4.35Å; F95-I107 HydrophobicContact CE2-CD1 4.07Å; F95-I107 HydrophobicContact CE2-CG1 3.65Å; F95-I107 HydrophobicContact CG-CD1 3.69Å; F95-I107 HydrophobicContact CG-CG1 4.08Å; F95-I107 HydrophobicContact CZ-CD1 4.36Å; F95-I107 HydrophobicContact CZ-CG1 4.25Å
96T92.3Very high90.6Very high70 Ų7083.2 Ų83.243%0.42941%0.412SS..Hα-helixtrans-63.1-36.3175-59.90000112E92 S93 M94 K100E92-T96 WeakPolarHBondContact O-CB 3.37Å; E92-T96 PolarHBondContact O-N 3.33Å; E92-T96 PolarHBondContact O-OG1 2.81Å; S93-T96 PolarHBondContact O-N 3.39Å; M94-T96 VanDerWaalsContact C-N 3.25Å; M94-T96 PolarHBondContact O-N 3.5Å; T96-K100 WeakPolarHBondContact O-CG 3.39Å; T96-K100 PolarHBondContact O-N 3.27Å
97M92.8Very high90.8Very high101 Ų10183.5 Ų83.550%0.49841%0.414SS..Hα-helixtrans-68.9-47.9174.8-65.6-175-157.800112S93 M94 F95 K99 K100 V101S93-M97 WeakPolarHBondContact O-CG 3.28Å; S93-M97 PolarHBondContact O-N 3.41Å; S93-M97 VanDerWaalsContact O-N 3.12Å; M94-M97 HydrophobicContact CE-CE 3.49Å; M94-M97 VanDerWaalsContact CE-CE 3.49Å; M94-M97 HydrophobicContact CE-SD 3.42Å; M94-M97 WeakPolarHBondContact CE-SD 3.37Å; M94-M97 WeakPolarHBondContact O-CA 3.48Å; M94-M97 WeakPolarHBondContact O-CB 3.47Å; M94-M97 PolarHBondContact O-N 2.84Å; M94-M97 HydrophobicContact SD-SD 4.45Å; F95-M97 VanDerWaalsContact C-N 3.3Å; F95-M97 PolarHBondContact O-N 3.08Å; M97-K99 VanDerWaalsContact C-N 3.29Å; M97-K99 PolarHBondContact O-N 2.88Å; M97-K100 WeakPolarHBondContact O-CB 3.32Å; M97-K100 PolarHBondContact O-N 3.3Å; M97-V101 PolarHBondContact O-N 3.35Å; M97-V101 VanDerWaalsContact O-N 3.14Å
98F90.7Very high90.9Very high52 Ų5282 Ų8223%0.22841%0.406CS..Hα-helixtrans-59.1-41.9176.6-84.1-72.8000111.8L56 F70 M94 F95 K100 V101 N102L56-F98 HydrophobicContact CD1-CB 3.91Å; L56-F98 HydrophobicContact CD1-CD1 3.89Å; L56-F98 HydrophobicContact CD1-CD2 3.96Å; L56-F98 HydrophobicContact CD1-CE1 4.42Å; L56-F98 HydrophobicContact CD1-CE2 4.48Å; L56-F98 HydrophobicContact CD1-CG 3.64Å; F70-F98 HydrophobicContact CB-CE2 3.79Å; F70-F98 HydrophobicContact CB-CZ 4.15Å; F70-F98 AromaticContact CD1-CD2 3.84Å; F70-F98 HydrophobicContact CD1-CD2 3.84Å; F70-F98 AromaticContact CD1-CE2 3.62Å; F70-F98 HydrophobicContact CD1-CE2 3.62Å; F70-F98 HydrophobicContact CD1-CZ 4.43Å; F70-F98 HydrophobicContact CE1-CD2 4.18Å; F70-F98 HydrophobicContact CE1-CE2 4.39Å; F70-F98 HydrophobicContact CG-CD2 4.42Å; F70-F98 AromaticContact CG-CE2 3.83Å; F70-F98 HydrophobicContact CG-CE2 3.83Å; M94-F98 WeakPolarHBondContact O-CD2 3.49Å; M94-F98 PolarHBondContact O-N 3.49Å; F95-F98 PolarHBondContact O-N 2.98Å; F98-K100 PolarHBondContact O-N 3.48Å; F98-V101 PolarHBondContact O-N 3.07Å; F98-N102 PolarHBondContact O-N 3.17Å
99K90.6Very high91.1Very high124 Ų12478.8 Ų78.854%0.53939%0.391SS..Hα-helixtrans-62.7-28.9175.7-170.2175.8-179.4-178.30113.4F95 M97F95-K99 HydrophobicContact CE1-CD 4.47Å; F95-K99 HydrophobicContact CZ-CD 4.45Å; F95-K99 VanDerWaalsContact O-CB 3.26Å; F95-K99 WeakPolarHBondContact O-CB 3.47Å; F95-K99 PolarHBondContact O-N 2.82Å; M97-K99 VanDerWaalsContact C-N 3.29Å; M97-K99 PolarHBondContact O-N 2.88Å
100K92.7Very high91.2Very high172 Ų17272.9 Ų72.975%0.74836%0.36SS*.Hα-helixtrans-73.2-34.3173.3-74.1171.7-178.1178.10112.2T96 M97 F98T96-K100 WeakPolarHBondContact O-CG 3.39Å; T96-K100 PolarHBondContact O-N 3.27Å; M97-K100 WeakPolarHBondContact O-CB 3.32Å; M97-K100 PolarHBondContact O-N 3.3Å; F98-K100 PolarHBondContact O-N 3.48Å
101V92.6Very high91.3Very high130 Ų13068.9 Ų68.979%0.78834%0.344SS*.Hα-helixtrans-76.9-48.4178.5177.90000110.5M97 F98M97-V101 PolarHBondContact O-N 3.35Å; M97-V101 VanDerWaalsContact O-N 3.14Å; F98-V101 PolarHBondContact O-N 3.07Å
102N88.6Confident91.4Very high59 Ų5968.9 Ų68.932%0.31634%0.344SS..  trans-137.6108.6-179.1-169.3-5.9000110.9F98 R104 E105F98-N102 PolarHBondContact O-N 3.17Å; N102-R104 PolarHBondContact O-N 3.44Å; N102-R104 WeakPolarHBondContact OD1-CB 3.15Å; N102-R104 PolarHBondContact OD1-N 3.32Å; N102-R104 VanDerWaalsContact OD1-N 3.11Å; N102-E105 HydrophobicContact CB-CG 4.37Å
103A87.7Confident91.2Very high82 Ų8264 Ų6468%0.67832%0.321SS*.THydrogen-bonded Turntrans-74.1-11-179.400000113.9
104R87.2Confident90.2Very high211 Ų21161.7 Ų61.780%0.79631%0.307SS*.THydrogen-bonded Turntrans-78.2-28.7179-64.3-176.6176.4-176.40.1112.3N102N102-R104 PolarHBondContact O-N 3.44Å; N102-R104 WeakPolarHBondContact OD1-CB 3.15Å; N102-R104 PolarHBondContact OD1-N 3.32Å; N102-R104 VanDerWaalsContact OD1-N 3.11Å
105E87Confident89.4Confident22 Ų2264.3 Ų64.310%0.10333%0.327CS..  trans-78.1130.2-177-68.1-174.7155.800111.4L56 S67 N102L56-E105 HydrophobicContact CB-CB 4.41Å; S67-E105 PolarHBondContact OG-OE1 2.97Å; N102-E105 HydrophobicContact CB-CG 4.37Å
106K90.5Very high88.9Confident140 Ų14070 Ų7061%0.60935%0.351SS*.EExtended strand (participates in β ladder)trans-124.7159174.2-64.5-179.5-176.4174.70109.2L56 G57 V108L56-K106 WeakPolarHBondContact CA-O 3.41Å; G57-K106 PolarHBondContact N-O 3.3Å; G57-K106 PolarHBondContact O-N 3.49Å; K106-V108 PolarHBondContact O-N 3.23Å
107I92.6Very high88.5Confident17 Ų1770 Ų709%0.08735%0.348CS..EExtended strand (participates in β ladder)trans-66.2119.5168.8-60.9168.7000107.7V54 L56 L91 F95 A132V54-I107 HydrophobicContact CG1-CB 4.4Å; V54-I107 HydrophobicContact CG1-CG1 4.04Å; V54-I107 HydrophobicContact CG1-CG2 3.7Å; L56-I107 HydrophobicContact CD2-CG1 3.92Å; L91-I107 HydrophobicContact CD2-CD1 4.07Å; F95-I107 HydrophobicContact CB-CD1 4.19Å; F95-I107 HydrophobicContact CD1-CD1 4.04Å; F95-I107 HydrophobicContact CD2-CD1 3.71Å; F95-I107 HydrophobicContact CD2-CG1 3.53Å; F95-I107 HydrophobicContact CE1-CD1 4.35Å; F95-I107 HydrophobicContact CE2-CD1 4.07Å; F95-I107 HydrophobicContact CE2-CG1 3.65Å; F95-I107 HydrophobicContact CG-CD1 3.69Å; F95-I107 HydrophobicContact CG-CG1 4.08Å; F95-I107 HydrophobicContact CZ-CD1 4.36Å; F95-I107 HydrophobicContact CZ-CG1 4.25Å; I107-A132 HydrophobicContact CG2-CB 4.39Å
108V92.2Very high87.9Confident14 Ų1467.6 Ų67.69%0.08534%0.341CS..EExtended strand (participates in β ladder)trans-109.1-19.8-179.8-66.80000112.1L55 L64 V66 K106 V136L55-V108 HydrophobicContact CB-CG2 3.87Å; L55-V108 WeakPolarHBondContact O-CG2 3.49Å; L55-V108 PolarHBondContact O-N 3.14Å; L64-V108 HydrophobicContact CD1-CB 3.57Å; L64-V108 HydrophobicContact CD1-CG1 3.52Å; L64-V108 HydrophobicContact CD1-CG2 4.23Å; L64-V108 HydrophobicContact CD2-CB 4.1Å; L64-V108 HydrophobicContact CD2-CG2 4.28Å; L64-V108 HydrophobicContact CG-CB 4.31Å; V66-V108 HydrophobicContact CG2-CG2 4.44Å; K106-V108 PolarHBondContact O-N 3.23Å; V108-V136 PolarHBondContact O-N 3.27Å
109G93.1Very high87.6Confident0 Ų070.6 Ų70.60%036%0.364CS..EExtended strand (participates in β ladder)trans169-154.8-176.800000111.6L55 V136L55-G109 PolarHBondContact N-O 3.2Å; G109-V136 CarbonylContact C-O 3.58Å; G109-V136 WeakPolarHBondContact CA-O 3.34Å
110W94.4Very high87.5Confident0 Ų064.9 Ų64.90%034%0.339CS..EExtended strand (participates in β ladder)trans-145.2158.2-178.462.5-75.2000109.8V52 G53 L55 H112 D121 I124 N125 F128 V136 L137 V138V52-W110 HydrophobicContact CG1-CE3 3.86Å; V52-W110 HydrophobicContact CG1-CZ3 4.3Å; G53-W110 CarbonylContact O-C 3.56Å; G53-W110 VanDerWaalsContact O-CA 3.25Å; G53-W110 WeakPolarHBondContact O-CA 3.46Å; G53-W110 VanDerWaalsContact O-CB 3.31Å; G53-W110 WeakPolarHBondContact O-CB 3.49Å; L55-W110 WeakPolarHBondContact CD1-O 3.19Å; W110-H112 AromaticContact CH2-CD2 4Å; W110-H112 HydrophobicContact CZ3-CB 4.05Å; W110-H112 AromaticContact CZ3-CD2 3.7Å; W110-D121 HydrophobicContact CH2-CB 3.75Å; W110-D121 HydrophobicContact CZ2-CB 4.18Å; W110-D121 WeakPolarHBondContact CZ2-O 3.42Å; W110-I124 HydrophobicContact CD2-CG2 4.11Å; W110-I124 HydrophobicContact CE3-CG2 3.99Å; W110-I124 HydrophobicContact CH2-CB 3.99Å; W110-I124 HydrophobicContact CH2-CG2 3.75Å; W110-I124 HydrophobicContact CZ2-CB 4.16Å; W110-I124 HydrophobicContact CZ2-CG2 3.91Å; W110-I124 HydrophobicContact CZ3-CB 4.45Å; W110-I124 HydrophobicContact CZ3-CG2 3.78Å; W110-N125 HydrophobicContact CZ2-CB 4.01Å; W110-N125 PolarHBondContact NE1-OD1 3.46Å; W110-F128 HydrophobicContact CB-CD1 4.19Å; W110-F128 HydrophobicContact CB-CD2 3.77Å; W110-F128 HydrophobicContact CB-CE1 4.04Å; W110-F128 HydrophobicContact CB-CE2 3.6Å; W110-F128 HydrophobicContact CB-CG 4.06Å; W110-F128 HydrophobicContact CB-CZ 3.75Å; W110-F128 AromaticContact CD1-CD2 3.47Å; W110-F128 VanDerWaalsContact CD1-CD2 3.47Å; W110-F128 AromaticContact CD1-CG 3.71Å; W110-F128 AromaticContact CD2-CD2 3.94Å; W110-F128 HydrophobicContact CD2-CD2 3.94Å; W110-F128 AromaticContact CD2-CE2 4Å; W110-F128 HydrophobicContact CD2-CE2 4Å; W110-F128 HydrophobicContact CE3-CE2 4.41Å; W110-F128 AromaticContact CG-CD2 3.45Å; W110-F128 HydrophobicContact CG-CD2 3.45Å; W110-F128 VanDerWaalsContact CG-CD2 3.45Å; W110-F128 AromaticContact CG-CE2 3.64Å; W110-F128 HydrophobicContact CG-CE2 3.64Å; W110-F128 AromaticContact CG-CG 3.96Å; W110-F128 HydrophobicContact CG-CG 3.96Å; W110-F128 HydrophobicContact CG-CZ 4.29Å; W110-F128 AromaticContact NE1-CD2 3.96Å; W110-V136 PolarHBondContact N-O 3.19Å; W110-L137 HydrophobicContact CD2-CD1 3.92Å; W110-L137 HydrophobicContact CE3-CD1 3.84Å; W110-L137 HydrophobicContact CH2-CD1 3.72Å; W110-L137 HydrophobicContact CH2-CD2 4.18Å; W110-L137 HydrophobicContact CH2-CG 4.49Å; W110-L137 HydrophobicContact CZ2-CB 4.27Å; W110-L137 HydrophobicContact CZ2-CD1 3.75Å; W110-L137 HydrophobicContact CZ2-CD2 3.99Å; W110-L137 HydrophobicContact CZ2-CG 4.21Å; W110-L137 HydrophobicContact CZ3-CD1 3.77Å; W110-L137 WeakPolarHBondContact O-CA 3.42Å; W110-V138 PolarHBondContact O-N 2.88Å
111Y94.5Very high87.3Confident2 Ų256.7 Ų56.71%0.00830%0.303CS..EExtended strand (participates in β ladder)trans-121.4155.217470.4-89.7000109.7V34 H37 V52 G53 L55 V138V34-Y111 HydrophobicContact CB-CD2 4.33Å; V34-Y111 HydrophobicContact CB-CE2 4.06Å; V34-Y111 HydrophobicContact CG1-CD2 3.91Å; V34-Y111 HydrophobicContact CG1-CE2 3.76Å; V34-Y111 HydrophobicContact CG2-CD1 4.35Å; V34-Y111 HydrophobicContact CG2-CD2 3.48Å; V34-Y111 VanDerWaalsContact CG2-CD2 3.48Å; V34-Y111 HydrophobicContact CG2-CE1 4.27Å; V34-Y111 HydrophobicContact CG2-CE2 3.42Å; V34-Y111 VanDerWaalsContact CG2-CE2 3.42Å; V34-Y111 HydrophobicContact CG2-CG 3.96Å; H37-Y111 AromaticContact ND1-CZ 3.96Å; H37-Y111 PolarHBondContact ND1-OH 3.07Å; V52-Y111 WeakPolarHBondContact CA-O 3.37Å; G53-Y111 VanDerWaalsContact C-CE1 3.42Å; G53-Y111 PolarHBondContact N-O 3.07Å; G53-Y111 WeakPolarHBondContact O-CD1 3.48Å; G53-Y111 PolarHBondContact O-N 3.45Å; L55-Y111 HydrophobicContact CD2-CD1 3.54Å; L55-Y111 HydrophobicContact CD2-CE1 4.47Å; L55-Y111 HydrophobicContact CD2-CG 4.15Å; L55-Y111 HydrophobicContact CG-CD1 4.01Å; Y111-V138 WeakPolarHBondContact CA-O 3.37Å; Y111-V138 VanDerWaalsContact CB-O 3.29Å; Y111-V138 WeakPolarHBondContact CB-O 3.43Å
112H91.8Very high87.1Confident2 Ų253.1 Ų53.11%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-131151.21607081.9000110.4V51 V52 W110 G114 D121 L137 V138 V139 V140V51-H112 CarbonylContact O-C 3.55Å; V51-H112 WeakPolarHBondContact O-CA 3.29Å; V52-H112 HydrophobicContact CG2-CB 4.01Å; W110-H112 AromaticContact CH2-CD2 4Å; W110-H112 HydrophobicContact CZ3-CB 4.05Å; W110-H112 AromaticContact CZ3-CD2 3.7Å; H112-G114 PolarHBondContact O-N 3.01Å; H112-D121 IonicContact NE2-OD2 3.16Å; H112-D121 PolarHBondContact NE2-OD2 3.41Å; H112-L137 WeakPolarHBondContact CD2-CD1 3.33Å; H112-V138 PolarHBondContact N-O 3.44Å; H112-V139 WeakPolarHBondContact NE2-CG2 3.42Å; H112-V140 PolarHBondContact O-N 2.97Å
113S87.5Confident87.1Confident1 Ų154.3 Ų54.31%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-69.2122.4166.663.40000108.1R50 V51 V140R50-S113 WeakPolarHBondContact CA-OG 3.48Å; V51-S113 WeakPolarHBondContact CG2-OG 3.43Å; V51-S113 PolarHBondContact N-OG 2.92Å; V51-S113 PolarHBondContact O-N 3.06Å; S113-V140 CarbonylContact C-O 3.51Å; S113-V140 WeakPolarHBondContact CA-O 2.98Å
114G73Confident87.2Confident12 Ų1250.4 Ų50.412%0.12425%0.249CC..  trans-58.1-179.7173.400000113H112 V140H112-G114 PolarHBondContact O-N 3.01Å; G114-V140 PolarHBondContact N-O 3.47Å
115P74.9Confident87.3Confident93 Ų9340.7 Ų40.760%0.60421%0.213SC*.SBend-108.7-16.252.234.2-35.5000116.1
116K79.6Confident87.4Confident165 Ų16543.7 Ų43.772%0.71723%0.227SC*.SBendtrans-141.5156.3-177.3-64.7-172.6177.8-173.40111.1
117L84.3Confident87.3Confident71 Ų7138.9 Ų38.937%0.37221%0.208SC..  trans-62138.5170.1-69.1167.5000110.3D121 L137 V139 Y155L117-D121 WeakPolarHBondContact CA-OD2 3.41Å; L117-L137 HydrophobicContact CD2-CD2 3.55Å; L117-V139 HydrophobicContact CD2-CG2 3.86Å; L117-Y155 HydrophobicContact CD1-CD1 4.36Å; L117-Y155 HydrophobicContact CD1-CD2 4.37Å; L117-Y155 HydrophobicContact CD1-CE1 4.01Å; L117-Y155 HydrophobicContact CD1-CE2 4Å; L117-Y155 HydrophobicContact CD2-CD2 4.12Å; L117-Y155 HydrophobicContact CD2-CE2 4.17Å; L117-Y155 HydrophobicContact CG-CE2 4.28Å
118C81.3Confident87.1Confident50 Ų5038.2 Ų38.234%0.33820%0.204SC..  trans-112.4152.1177.2-64.40000110.1R50 N120 D121R50-C118 PolarHBondContact NH1-SG 3.23Å; R50-C118 VanDerWaalsContact NH1-SG 3.43Å; C118-N120 PolarHBondContact O-N 3.45Å; C118-N120 VanDerWaalsContact O-N 3.11Å; C118-D121 PolarHBondContact N-OD2 3.13Å; C118-D121 VanDerWaalsContact O-CB 3.29Å; C118-D121 WeakPolarHBondContact O-CB 3.46Å; C118-D121 VanDerWaalsContact O-CG 3.28Å; C118-D121 PolarHBondContact O-N 3.43Å
119T83.4Confident86.8Confident116 Ų11642.2 Ų42.271%0.71222%0.218SC*.THydrogen-bonded Turntrans-57.8-29.3177.1-46.20000112.5D121 I122T119-D121 PolarHBondContact O-N 3.16Å; T119-I122 PolarHBondContact O-N 2.94Å
120N87.5Confident86.5Confident4 Ų450.1 Ų50.12%0.02125%0.252CS..Hα-helixtrans-67.3-22.6178.9-62.6-35.5000113.9E76 P81 C118 I122 K123 I124E76-N120 PolarHBondContact OE1-ND2 2.97Å; P81-N120 VanDerWaalsContact C-ND2 3.27Å; P81-N120 WeakPolarHBondContact CB-ND2 3.42Å; P81-N120 PolarHBondContact O-ND2 3.33Å; P81-N120 PolarHBondContact O-OD1 2.86Å; P81-N120 VanDerWaalsContact O-OD1 3.14Å; C118-N120 PolarHBondContact O-N 3.45Å; C118-N120 VanDerWaalsContact O-N 3.11Å; N120-I122 PolarHBondContact O-N 3.22Å; N120-K123 WeakPolarHBondContact O-CB 3.48Å; N120-K123 PolarHBondContact O-N 3.06Å; N120-I124 WeakPolarHBondContact O-CG1 3.14Å; N120-I124 PolarHBondContact O-N 3.36Å
121D90.1Very high86.1Confident0 Ų053.7 Ų53.70%027%0.266CS..Hα-helixtrans-62.9-29-177-61.4-20.9000111.3W110 H112 L117 C118 T119 N125 L137 F172W110-D121 HydrophobicContact CH2-CB 3.75Å; W110-D121 HydrophobicContact CZ2-CB 4.18Å; W110-D121 WeakPolarHBondContact CZ2-O 3.42Å; H112-D121 IonicContact NE2-OD2 3.16Å; H112-D121 PolarHBondContact NE2-OD2 3.41Å; L117-D121 WeakPolarHBondContact CA-OD2 3.41Å; C118-D121 PolarHBondContact N-OD2 3.13Å; C118-D121 VanDerWaalsContact O-CB 3.29Å; C118-D121 WeakPolarHBondContact O-CB 3.46Å; C118-D121 VanDerWaalsContact O-CG 3.28Å; C118-D121 PolarHBondContact O-N 3.43Å; T119-D121 PolarHBondContact O-N 3.16Å; D121-N125 WeakPolarHBondContact O-CB 3.41Å; D121-N125 PolarHBondContact O-N 2.99Å; D121-L137 HydrophobicContact CB-CD2 4.35Å; D121-F172 HydrophobicContact CB-CE2 3.85Å; D121-F172 HydrophobicContact CB-CZ 4.21Å
122I88.1Confident85.5Confident54 Ų5454 Ų5428%0.27727%0.269SS..Hα-helixtrans-63.7-46.7173.9-60170.1000110.1T119 N120 N125 E126 K170 F172T119-I122 PolarHBondContact O-N 2.94Å; N120-I122 PolarHBondContact O-N 3.22Å; I122-N125 PolarHBondContact O-N 3.39Å; I122-E126 PolarHBondContact O-N 3.37Å; I122-E126 VanDerWaalsContact O-N 3.14Å; I122-K170 WeakPolarHBondContact CD1-O 3.27Å; I122-K170 HydrophobicContact CG2-CB 3.95Å; I122-K170 HydrophobicContact CG2-CD 4.4Å; I122-F172 HydrophobicContact CG1-CD2 4.34Å; I122-F172 HydrophobicContact CG1-CE2 3.75Å; I122-F172 HydrophobicContact CG1-CZ 4.48Å
123K88.5Confident84.9Confident85 Ų8557.8 Ų57.837%0.3729%0.294SS..Hα-helixtrans-66.7-42.7179.2-62.4177.6178.1172.90111.2D82 W84 N120 N125 E126 L127D82-K123 IonicContact OD1-NZ 2.73Å; D82-K123 PolarHBondContact OD1-NZ 2.88Å; D82-K123 IonicContact OD2-NZ 3.6Å; W84-K123 HydrophobicContact CZ2-CB 3.9Å; N120-K123 WeakPolarHBondContact O-CB 3.48Å; N120-K123 PolarHBondContact O-N 3.06Å; K123-N125 VanDerWaalsContact C-N 3.33Å; K123-N125 PolarHBondContact O-N 2.92Å; K123-E126 PolarHBondContact O-N 3.33Å; K123-L127 PolarHBondContact O-N 2.9Å
124I89.4Confident84.7Confident0 Ų059.3 Ų59.30%030%0.302CS..Hα-helixtrans-61.5-44.8176.6-65.5168.8000109.9F74 W84 W110 N120 E126 L127 F128F74-I124 HydrophobicContact CE2-CD1 3.86Å; F74-I124 HydrophobicContact CZ-CD1 3.9Å; W84-I124 HydrophobicContact CD2-CD1 4.46Å; W84-I124 HydrophobicContact CD2-CG1 3.93Å; W84-I124 HydrophobicContact CE3-CG1 4.03Å; W84-I124 HydrophobicContact CH2-CB 4.21Å; W84-I124 HydrophobicContact CH2-CG1 3.65Å; W84-I124 HydrophobicContact CZ2-CB 4.41Å; W84-I124 HydrophobicContact CZ2-CG1 3.64Å; W84-I124 HydrophobicContact CZ3-CG1 3.89Å; W110-I124 HydrophobicContact CD2-CG2 4.11Å; W110-I124 HydrophobicContact CE3-CG2 3.99Å; W110-I124 HydrophobicContact CH2-CB 3.99Å; W110-I124 HydrophobicContact CH2-CG2 3.75Å; W110-I124 HydrophobicContact CZ2-CB 4.16Å; W110-I124 HydrophobicContact CZ2-CG2 3.91Å; W110-I124 HydrophobicContact CZ3-CB 4.45Å; W110-I124 HydrophobicContact CZ3-CG2 3.78Å; N120-I124 WeakPolarHBondContact O-CG1 3.14Å; N120-I124 PolarHBondContact O-N 3.36Å; I124-E126 VanDerWaalsContact C-N 3.28Å; I124-E126 PolarHBondContact O-N 3.04Å; I124-L127 WeakPolarHBondContact O-CB 3.49Å; I124-L127 PolarHBondContact O-N 2.91Å; I124-L127 VanDerWaalsContact O-N 3.09Å; I124-F128 HydrophobicContact CG2-CD2 3.8Å; I124-F128 HydrophobicContact CG2-CE2 3.63Å; I124-F128 WeakPolarHBondContact O-CD2 3.41Å; I124-F128 PolarHBondContact O-N 3.48Å
125N90.4Very high85.5Confident7 Ų759 Ų594%0.03730%0.298CS..Hα-helixtrans-63.7-32.5179.5-169.556.5000113W110 D121 I122 K123 L127 F128 R129 S135 A157 F172W110-N125 HydrophobicContact CZ2-CB 4.01Å; W110-N125 PolarHBondContact NE1-OD1 3.46Å; D121-N125 WeakPolarHBondContact O-CB 3.41Å; D121-N125 PolarHBondContact O-N 2.99Å; I122-N125 PolarHBondContact O-N 3.39Å; K123-N125 VanDerWaalsContact C-N 3.33Å; K123-N125 PolarHBondContact O-N 2.92Å; N125-L127 VanDerWaalsContact C-N 3.31Å; N125-L127 PolarHBondContact O-N 3.15Å; N125-F128 PolarHBondContact O-N 3.03Å; N125-R129 WeakPolarHBondContact O-CB 3.38Å; N125-R129 PolarHBondContact O-N 2.9Å; N125-S135 WeakPolarHBondContact OD1-CB 3.48Å; N125-S135 PolarHBondContact OD1-OG 3.06Å; N125-A157 WeakPolarHBondContact ND2-CB 3.41Å; N125-F172 HydrophobicContact CB-CE1 4.33Å; N125-F172 HydrophobicContact CB-CZ 4.02Å
126E87.5Confident86.3Confident84 Ų8454.6 Ų54.639%0.39327%0.27SS..Hα-helixtrans-63.6-35173.8-74.3-174.7174.200113I122 K123 I124 R129 K170I122-E126 PolarHBondContact O-N 3.37Å; I122-E126 VanDerWaalsContact O-N 3.14Å; K123-E126 PolarHBondContact O-N 3.33Å; I124-E126 VanDerWaalsContact C-N 3.28Å; I124-E126 PolarHBondContact O-N 3.04Å; E126-R129 PolarHBondContact O-N 3.42Å; E126-K170 WeakPolarHBondContact OE1-CD 3.43Å; E126-K170 IonicContact OE1-NZ 3.09Å; E126-K170 PolarHBondContact OE1-NZ 3.26Å
127L88.7Confident87Confident40 Ų4046.8 Ų46.821%0.20924%0.236CC..Hα-helixtrans-66.9-44.5173.4-65.1-166.7000111.2W84 K123 I124 N125 R129 K130W84-L127 HydrophobicContact CH2-CD1 3.19Å; W84-L127 HydrophobicContact CH2-CG 3.83Å; W84-L127 HydrophobicContact CZ2-CD1 4.25Å; W84-L127 HydrophobicContact CZ3-CD1 3.63Å; K123-L127 PolarHBondContact O-N 2.9Å; I124-L127 WeakPolarHBondContact O-CB 3.49Å; I124-L127 PolarHBondContact O-N 2.91Å; I124-L127 VanDerWaalsContact O-N 3.09Å; N125-L127 VanDerWaalsContact C-N 3.31Å; N125-L127 PolarHBondContact O-N 3.15Å; L127-R129 VanDerWaalsContact C-N 3.26Å; L127-R129 PolarHBondContact O-N 3.45Å; L127-K130 WeakPolarHBondContact O-CB 3.38Å; L127-K130 PolarHBondContact O-N 3.35Å
128F88.8Confident87.4Confident2 Ų243.5 Ų43.51%0.00922%0.218CC..Hα-helixtrans-65.6-28.6176.2-77.3-71.1000113.3V52 V54 L86 L91 W110 I124 N125 K130 Y131 A132V52-F128 HydrophobicContact CG1-CE2 4.49Å; V54-F128 HydrophobicContact CG2-CE1 3.77Å; V54-F128 HydrophobicContact CG2-CZ 4.2Å; L86-F128 HydrophobicContact CD1-CE2 3.81Å; L86-F128 HydrophobicContact CD1-CZ 3.8Å; L91-F128 HydrophobicContact CD1-CD1 4.42Å; L91-F128 HydrophobicContact CD1-CE1 3.63Å; L91-F128 HydrophobicContact CD1-CZ 4.31Å; W110-F128 HydrophobicContact CB-CD1 4.19Å; W110-F128 HydrophobicContact CB-CD2 3.77Å; W110-F128 HydrophobicContact CB-CE1 4.04Å; W110-F128 HydrophobicContact CB-CE2 3.6Å; W110-F128 HydrophobicContact CB-CG 4.06Å; W110-F128 HydrophobicContact CB-CZ 3.75Å; W110-F128 AromaticContact CD1-CD2 3.47Å; W110-F128 VanDerWaalsContact CD1-CD2 3.47Å; W110-F128 AromaticContact CD1-CG 3.71Å; W110-F128 AromaticContact CD2-CD2 3.94Å; W110-F128 HydrophobicContact CD2-CD2 3.94Å; W110-F128 AromaticContact CD2-CE2 4Å; W110-F128 HydrophobicContact CD2-CE2 4Å; W110-F128 HydrophobicContact CE3-CE2 4.41Å; W110-F128 AromaticContact CG-CD2 3.45Å; W110-F128 HydrophobicContact CG-CD2 3.45Å; W110-F128 VanDerWaalsContact CG-CD2 3.45Å; W110-F128 AromaticContact CG-CE2 3.64Å; W110-F128 HydrophobicContact CG-CE2 3.64Å; W110-F128 AromaticContact CG-CG 3.96Å; W110-F128 HydrophobicContact CG-CG 3.96Å; W110-F128 HydrophobicContact CG-CZ 4.29Å; W110-F128 AromaticContact NE1-CD2 3.96Å; I124-F128 HydrophobicContact CG2-CD2 3.8Å; I124-F128 HydrophobicContact CG2-CE2 3.63Å; I124-F128 WeakPolarHBondContact O-CD2 3.41Å; I124-F128 PolarHBondContact O-N 3.48Å; N125-F128 PolarHBondContact O-N 3.03Å; F128-K130 PolarHBondContact O-N 2.79Å; F128-K130 VanDerWaalsContact O-N 3.16Å; F128-Y131 PolarHBondContact O-N 3.13Å; F128-A132 PolarHBondContact O-N 3.32Å
129R87.2Confident87.9Confident98 Ų9841.4 Ų41.437%0.3720%0.204SC..Hα-helixtrans-61.9-23176.6-156.7171.6-170.6-172.40.6113.2N125 E126 L127 Y131 A132 E159N125-R129 WeakPolarHBondContact O-CB 3.38Å; N125-R129 PolarHBondContact O-N 2.9Å; E126-R129 PolarHBondContact O-N 3.42Å; L127-R129 VanDerWaalsContact C-N 3.26Å; L127-R129 PolarHBondContact O-N 3.45Å; R129-Y131 VanDerWaalsContact C-N 3.33Å; R129-A132 WeakPolarHBondContact CA-O 3.22Å; R129-A132 CarbonylContact O-C 3.53Å; R129-E159 IonicContact NH1-OE1 3.9Å
130K86.4Confident88.2Confident167 Ų16736.1 Ų36.173%0.72617%0.172SC*.THydrogen-bonded Turntrans-67.3-33.5172.6-61.3179.1-178.2174.60112.3L127 F128L127-K130 WeakPolarHBondContact O-CB 3.38Å; L127-K130 PolarHBondContact O-N 3.35Å; F128-K130 PolarHBondContact O-N 2.79Å; F128-K130 VanDerWaalsContact O-N 3.16Å
131Y84.5Confident88.1Confident74 Ų7437.1 Ų37.129%0.2918%0.177SC..THydrogen-bonded Turntrans-87.7-42.1178.7-62.6-78.3000111.9L91 E92 F128 R129L91-Y131 HydrophobicContact CD1-CE2 4.36Å; L91-Y131 HydrophobicContact CD2-CD1 4.24Å; L91-Y131 HydrophobicContact CD2-CE1 3.92Å; L91-Y131 HydrophobicContact CD2-CE2 4.19Å; E92-Y131 HydrophobicContact CG-CE1 4.04Å; E92-Y131 PolarHBondContact OE1-OH 3.39Å; F128-Y131 PolarHBondContact O-N 3.13Å; R129-Y131 VanDerWaalsContact C-N 3.33Å
132A82.2Confident87.6Confident8 Ų839 Ų397%0.06619%0.188CC..  trans-130112.5-178.900000110.4I107 F128 R129 N134 S135I107-A132 HydrophobicContact CG2-CB 4.39Å; F128-A132 PolarHBondContact O-N 3.32Å; R129-A132 WeakPolarHBondContact CA-O 3.22Å; R129-A132 CarbonylContact O-C 3.53Å; A132-N134 PolarHBondContact O-N 2.89Å; A132-N134 VanDerWaalsContact O-N 3.09Å; A132-S135 PolarHBondContact O-N 3.36Å; A132-S135 VanDerWaalsContact O-N 3.13Å
133P79.7Confident86.9Confident83 Ų8343 Ų4354%0.53920%0.2SC..THydrogen-bonded Turntrans-62.3-23.8-177.724.4-34000113.2Q18Q18-P133 PolarHBondContact NE2-O 3.14Å
134N82.8Confident85.9Confident33 Ų3342.1 Ų42.118%0.17619%0.194CC..THydrogen-bonded Turntrans-112.747.7176.8-63.3-6.1000111Q18 T19 I21 A132 V136Q18-N134 WeakPolarHBondContact CG-OD1 3.35Å; Q18-N134 PolarHBondContact NE2-OD1 2.82Å; Q18-N134 VanDerWaalsContact NE2-OD1 3.17Å; T19-N134 PolarHBondContact O-ND2 3.02Å; I21-N134 HydrophobicContact CD1-CB 4.07Å; A132-N134 PolarHBondContact O-N 2.89Å; A132-N134 VanDerWaalsContact O-N 3.09Å; N134-V136 PolarHBondContact O-N 3.22Å
135S90.1Very high84.7Confident6 Ų649.9 Ų49.94%0.04223%0.228CC..PPolyproline II helixtrans-58.2121.2176.7177.50000111.1N125 A132N125-S135 WeakPolarHBondContact OD1-CB 3.48Å; N125-S135 PolarHBondContact OD1-OG 3.06Å; A132-S135 PolarHBondContact O-N 3.36Å; A132-S135 VanDerWaalsContact O-N 3.13Å
136V92.6Very high83.2Confident0 Ų059.3 Ų59.30%027%0.272CS..EExtended strand (participates in β ladder)trans-98137.8172.3173.70000109.5I21 V24 L64 V108 G109 W110 N134 V138 A154 L175I21-V136 HydrophobicContact CD1-CG2 3.57Å; V24-V136 HydrophobicContact CG2-CG1 3.99Å; L64-V136 HydrophobicContact CD2-CB 3.86Å; L64-V136 HydrophobicContact CD2-CG1 4.31Å; L64-V136 HydrophobicContact CD2-CG2 3.62Å; V108-V136 PolarHBondContact O-N 3.27Å; G109-V136 CarbonylContact C-O 3.58Å; G109-V136 WeakPolarHBondContact CA-O 3.34Å; W110-V136 PolarHBondContact N-O 3.19Å; N134-V136 PolarHBondContact O-N 3.22Å; V136-V138 HydrophobicContact CG1-CG2 4.17Å; V136-A154 HydrophobicContact CG1-CB 4.36Å; V136-L175 HydrophobicContact CG2-CD1 4.3Å
137L93.7Very high81.9Confident0 Ų062 Ų620%029%0.287CS..EExtended strand (participates in β ladder)trans-95.9126169.7165.257.7000109W110 H112 L117 D121 V139 A154 Y155 F172W110-L137 HydrophobicContact CD2-CD1 3.92Å; W110-L137 HydrophobicContact CE3-CD1 3.84Å; W110-L137 HydrophobicContact CH2-CD1 3.72Å; W110-L137 HydrophobicContact CH2-CD2 4.18Å; W110-L137 HydrophobicContact CH2-CG 4.49Å; W110-L137 HydrophobicContact CZ2-CB 4.27Å; W110-L137 HydrophobicContact CZ2-CD1 3.75Å; W110-L137 HydrophobicContact CZ2-CD2 3.99Å; W110-L137 HydrophobicContact CZ2-CG 4.21Å; W110-L137 HydrophobicContact CZ3-CD1 3.77Å; W110-L137 WeakPolarHBondContact O-CA 3.42Å; H112-L137 WeakPolarHBondContact CD2-CD1 3.33Å; L117-L137 HydrophobicContact CD2-CD2 3.55Å; D121-L137 HydrophobicContact CB-CD2 4.35Å; L137-V139 HydrophobicContact CD1-CG2 4.44Å; L137-V139 HydrophobicContact CD2-CG2 4.43Å; L137-V139 HydrophobicContact CG-CG2 4.26Å; L137-A154 CarbonylContact O-C 3.59Å; L137-A154 WeakPolarHBondContact O-CA 3.37Å; L137-Y155 PolarHBondContact N-O 3.47Å; L137-Y155 PolarHBondContact O-N 3.11Å; L137-F172 HydrophobicContact CB-CE1 4.25Å; L137-F172 HydrophobicContact CD2-CD1 4.4Å; L137-F172 HydrophobicContact CD2-CE1 4.03Å; L137-F172 HydrophobicContact CD2-CE2 4.28Å; L137-F172 HydrophobicContact CD2-CZ 3.97Å
138V92.8Very high80.5Confident2 Ų262 Ų621%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-112.1119.2168.9-176.50000109.8V24 V26 L55 W110 Y111 H112 V136 V140 E153 A154V24-V138 HydrophobicContact CG1-CG2 4.39Å; V26-V138 HydrophobicContact CG2-CG1 4.42Å; L55-V138 HydrophobicContact CD1-CB 3.8Å; L55-V138 HydrophobicContact CD1-CG2 3.45Å; L55-V138 VanDerWaalsContact CD1-CG2 3.45Å; W110-V138 PolarHBondContact O-N 2.88Å; Y111-V138 WeakPolarHBondContact CA-O 3.37Å; Y111-V138 VanDerWaalsContact CB-O 3.29Å; Y111-V138 WeakPolarHBondContact CB-O 3.43Å; H112-V138 PolarHBondContact N-O 3.44Å; V136-V138 HydrophobicContact CG1-CG2 4.17Å; V138-V140 HydrophobicContact CG1-CG2 4Å; V138-E153 CarbonylContact C-O 3.52Å; V138-E153 WeakPolarHBondContact CA-O 3.48Å; V138-A154 HydrophobicContact CG2-CB 4.41Å
139V92.2Very high79.6Confident6 Ų665.2 Ų65.24%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-90119.2172.3-173.20000107.8H112 L117 L137 E153 Y155H112-V139 WeakPolarHBondContact NE2-CG2 3.42Å; L117-V139 HydrophobicContact CD2-CG2 3.86Å; L137-V139 HydrophobicContact CD1-CG2 4.44Å; L137-V139 HydrophobicContact CD2-CG2 4.43Å; L137-V139 HydrophobicContact CG-CG2 4.26Å; V139-E153 HydrophobicContact CB-CB 4.41Å; V139-E153 PolarHBondContact N-O 2.76Å; V139-E153 PolarHBondContact O-N 2.85Å; V139-Y155 HydrophobicContact CB-CE2 4.39Å; V139-Y155 HydrophobicContact CG2-CD2 3.82Å; V139-Y155 HydrophobicContact CG2-CE2 3.67Å
140V89.7Confident79.2Confident5 Ų564.8 Ų64.83%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-111.1117.5174.8-176.50000108.1L31 V34 H112 S113 G114 V138 V142 P151L31-V140 HydrophobicContact CD2-CG1 4.13Å; L31-V140 HydrophobicContact CD2-CG2 4.14Å; V34-V140 HydrophobicContact CB-CG1 4.38Å; V34-V140 HydrophobicContact CG1-CB 4.07Å; V34-V140 HydrophobicContact CG1-CG1 4.2Å; V34-V140 HydrophobicContact CG2-CG2 4.25Å; H112-V140 PolarHBondContact O-N 2.97Å; S113-V140 CarbonylContact C-O 3.51Å; S113-V140 WeakPolarHBondContact CA-O 2.98Å; G114-V140 PolarHBondContact N-O 3.47Å; V138-V140 HydrophobicContact CG1-CG2 4Å; V140-V142 PolarHBondContact O-N 3Å; V140-P151 WeakPolarHBondContact CA-O 3.31Å
141D84.3Confident78.9Confident26 Ų2659 Ų5914%0.13931%0.306CS..  trans-88.8107.4177.9-166.4-14.2000110.8R143 R144 P151D141-R143 VanDerWaalsContact C-N 3.26Å; D141-R143 PolarHBondContact O-N 2.81Å; D141-R143 PolarHBondContact OD1-N 2.83Å; D141-R144 HydrophobicContact CB-CG 3.76Å; D141-R144 VanDerWaalsContact OD2-CG 3.29Å; D141-R144 WeakPolarHBondContact OD2-CG 3.28Å; D141-R144 IonicContact OD2-NE 2.82Å; D141-R144 PolarHBondContact OD2-NE 3.43Å; D141-R144 VanDerWaalsContact OD2-NE 3.16Å; D141-P151 PolarHBondContact N-O 3.08Å; D141-P151 VanDerWaalsContact N-O 3.11Å
142V79.2Confident79Confident38 Ų3855.7 Ų55.723%0.2329%0.293CS..THydrogen-bonded Turntrans-77.1-14.2-176.7-1740000112.1V34 V35 Y38 V140V34-V142 HydrophobicContact CG1-CG2 4.24Å; V35-V142 HydrophobicContact CG2-CG1 4.28Å; Y38-V142 HydrophobicContact CD1-CB 4.16Å; Y38-V142 HydrophobicContact CD1-CG1 3.51Å; Y38-V142 HydrophobicContact CD2-CG2 4.36Å; Y38-V142 HydrophobicContact CE1-CB 4.48Å; Y38-V142 HydrophobicContact CE1-CG1 4.1Å; Y38-V142 HydrophobicContact CG-CB 4.2Å; Y38-V142 HydrophobicContact CG-CG1 3.84Å; Y38-V142 HydrophobicContact CG-CG2 4.11Å; V140-V142 PolarHBondContact O-N 3Å
143R73.3Confident79.4Confident139 Ų13958 Ų5853%0.52530%0.303SS..THydrogen-bonded Turntrans-106.62.6-174.5-61-173.7-174-174.75.9113.7Y38 Q48 D141 K145Y38-R143 PolarHBondContact OH-NE 3.04Å; Y38-R143 VanDerWaalsContact OH-NE 3.08Å; Y38-R143 PolarHBondContact OH-NH2 2.96Å; Q48-R143 VanDerWaalsContact OE1-CZ 3.24Å; D141-R143 VanDerWaalsContact C-N 3.26Å; D141-R143 PolarHBondContact O-N 2.81Å; D141-R143 PolarHBondContact OD1-N 2.83Å; R143-K145 PolarHBondContact O-N 3.2Å
144R68.1Low80Confident67 Ų6754 Ų5425%0.25328%0.277SS..  trans-60.8137.1-178.4-85.4179.1-166.6-169.34.5111D141 D148 L150 E153D141-R144 HydrophobicContact CB-CG 3.76Å; D141-R144 VanDerWaalsContact OD2-CG 3.29Å; D141-R144 WeakPolarHBondContact OD2-CG 3.28Å; D141-R144 IonicContact OD2-NE 2.82Å; D141-R144 PolarHBondContact OD2-NE 3.43Å; D141-R144 VanDerWaalsContact OD2-NE 3.16Å; R144-D148 HydrophobicContact CB-CB 4.18Å; R144-D148 HydrophobicContact CG-CB 3.95Å; R144-L150 PolarHBondContact NH1-O 3.21Å; R144-E153 IonicContact CZ-OE1 2.78Å; R144-E153 IonicContact NH1-OE1 3.38Å; R144-E153 IonicContact NH2-OE1 3.84Å; R144-E153 PolarHBondContact NH2-OE1 2.83Å
145K64Low80.4Confident163 Ų16354 Ų5471%0.70927%0.274SS*.  trans-74.5148.8165.7-64.6179.7179.9178.90107.5R143 I147 D148R143-K145 PolarHBondContact O-N 3.2Å; K145-I147 PolarHBondContact O-N 3.43Å; K145-D148 WeakPolarHBondContact O-CB 3.39Å; K145-D148 PolarHBondContact O-N 3.04Å
146E59.9Low80.4Confident205 Ų20555.1 Ų55.196%0.95828%0.28SS*.THydrogen-bonded Turntrans-50.9-16.5-175.7-64.1174.1170.100115.3D148E146-D148 VanDerWaalsContact C-N 3.32Å
147I59.1Low80.2Confident139 Ų13956.3 Ų56.371%0.71329%0.29SS*.THydrogen-bonded Turntrans-79.3-17.2-176.8-51.1168000111.5K145 G149K145-I147 PolarHBondContact O-N 3.43Å; I147-G149 PolarHBondContact O-N 3.44Å; I147-G149 VanDerWaalsContact O-N 3.15Å
148D59.3Low79.8Confident40 Ų4058.9 Ų58.921%0.21431%0.305CS..SBendtrans-95.358.6-164.3-70.812.8000113.2R144 K145 E146 R220R144-D148 HydrophobicContact CB-CB 4.18Å; R144-D148 HydrophobicContact CG-CB 3.95Å; K145-D148 WeakPolarHBondContact O-CB 3.39Å; K145-D148 PolarHBondContact O-N 3.04Å; E146-D148 VanDerWaalsContact C-N 3.32Å; D148-R220 VanDerWaalsContact CG-NH2 3.34Å; D148-R220 IonicContact OD1-CZ 3.74Å; D148-R220 IonicContact OD1-NH1 2.75Å; D148-R220 PolarHBondContact OD1-NH1 2.99Å; D148-R220 IonicContact OD1-NH2 3.23Å; D148-R220 IonicContact OD2-CZ 2.67Å; D148-R220 IonicContact OD2-NH1 3.01Å; D148-R220 PolarHBondContact OD2-NH1 3.46Å; D148-R220 VanDerWaalsContact OD2-NH1 3.11Å; D148-R220 IonicContact OD2-NH2 3.97Å; D148-R220 PolarHBondContact OD2-NH2 2.97Å
149G71Confident79.4Confident70 Ų7063.7 Ų63.772%0.72233%0.327SS*.SBendtrans48.5-14616800000115I147I147-G149 PolarHBondContact O-N 3.44Å; I147-G149 VanDerWaalsContact O-N 3.15Å
150L77.6Confident78.6Confident89 Ų8965.4 Ų65.447%0.46634%0.335SS..  trans-73.1129.1174-74.1154000109.2R144 T152 V179R144-L150 PolarHBondContact NH1-O 3.21Å; L150-T152 PolarHBondContact O-N 3.04Å; L150-V179 HydrophobicContact CD2-CB 4.4Å; L150-V179 HydrophobicContact CD2-CG2 3.89Å
151P81.8Confident78.1Confident46 Ų4670.4 Ų70.430%0.29937%0.366SS..SBendtrans-76.32.1178.732.1-35.5000113.3V140 D141V140-P151 WeakPolarHBondContact CA-O 3.31Å; D141-P151 PolarHBondContact N-O 3.08Å; D141-P151 VanDerWaalsContact N-O 3.11Å
152T85.9Confident77.4Confident4 Ų472.5 Ų72.53%0.02537%0.374CS..EExtended strand (participates in β ladder)trans-114.3123.5-173.654.10000111.4L31 L150 S177 V179L31-T152 HydrophobicContact CD1-CG2 4.2Å; L31-T152 HydrophobicContact CD2-CG2 3.3Å; L31-T152 HydrophobicContact CG-CG2 4.37Å; L150-T152 PolarHBondContact O-N 3.04Å; T152-S177 WeakPolarHBondContact CB-OG 3.24Å; T152-S177 PolarHBondContact O-OG 3.46Å; T152-S177 PolarHBondContact OG1-OG 3.22Å; T152-V179 HydrophobicContact CG2-CG2 4.37Å
153E89.5Confident77Confident57 Ų5778.2 Ų78.227%0.26640%0.403SS..EExtended strand (participates in β ladder)trans-120.3126170.8-71.7165.8-162.700108.7V138 V139 R144 Y155V138-E153 CarbonylContact C-O 3.52Å; V138-E153 WeakPolarHBondContact CA-O 3.48Å; V139-E153 HydrophobicContact CB-CB 4.41Å; V139-E153 PolarHBondContact N-O 2.76Å; V139-E153 PolarHBondContact O-N 2.85Å; R144-E153 IonicContact CZ-OE1 2.78Å; R144-E153 IonicContact NH1-OE1 3.38Å; R144-E153 IonicContact NH2-OE1 3.84Å; R144-E153 PolarHBondContact NH2-OE1 2.83Å; E153-Y155 HydrophobicContact CB-CE2 3.71Å; E153-Y155 PolarHBondContact OE2-OH 3.31Å
154A92.4Very high76.9Confident0 Ų076.7 Ų76.70%041%0.406CS..EExtended strand (participates in β ladder)trans-103.6142.1178.200000110.2V24 V136 L137 V138 H174 L175V24-A154 HydrophobicContact CB-CB 3.89Å; V24-A154 HydrophobicContact CG1-CB 4.29Å; V24-A154 HydrophobicContact CG2-CB 3.78Å; V136-A154 HydrophobicContact CG1-CB 4.36Å; L137-A154 CarbonylContact O-C 3.59Å; L137-A154 WeakPolarHBondContact O-CA 3.37Å; V138-A154 HydrophobicContact CG2-CB 4.41Å; A154-H174 PolarHBondContact O-ND1 3.12Å; A154-L175 HydrophobicContact CB-CB 4.06Å; A154-L175 PolarHBondContact O-N 3.33Å
155Y92.4Very high77.1Confident32 Ų3276.8 Ų76.813%0.12543%0.428CS..EExtended strand (participates in β ladder)trans-136148.9-179.5-64-80.1000111.1L117 L137 V139 E153 F172 D173 H174L117-Y155 HydrophobicContact CD1-CD1 4.36Å; L117-Y155 HydrophobicContact CD1-CD2 4.37Å; L117-Y155 HydrophobicContact CD1-CE1 4.01Å; L117-Y155 HydrophobicContact CD1-CE2 4Å; L117-Y155 HydrophobicContact CD2-CD2 4.12Å; L117-Y155 HydrophobicContact CD2-CE2 4.17Å; L117-Y155 HydrophobicContact CG-CE2 4.28Å; L137-Y155 PolarHBondContact N-O 3.47Å; L137-Y155 PolarHBondContact O-N 3.11Å; V139-Y155 HydrophobicContact CB-CE2 4.39Å; V139-Y155 HydrophobicContact CG2-CD2 3.82Å; V139-Y155 HydrophobicContact CG2-CE2 3.67Å; E153-Y155 HydrophobicContact CB-CE2 3.71Å; E153-Y155 PolarHBondContact OE2-OH 3.31Å; Y155-F172 HydrophobicContact CD1-CB 4.06Å; Y155-F172 HydrophobicContact CG-CB 4.24Å; Y155-D173 VanDerWaalsContact CA-O 3.31Å; Y155-D173 WeakPolarHBondContact CA-O 3.37Å; Y155-H174 HydrophobicContact CD1-CB 4.2Å; Y155-H174 HydrophobicContact CE1-CB 3.99Å; Y155-H174 AromaticContact CE1-ND1 3.81Å
156I90.3Very high77.7Confident29 Ų2971 Ų7115%0.14941%0.408CS..EExtended strand (participates in β ladder)trans-125.1136.7171.9-169.9166.1000109.5V158 F172 D173 L175I156-V158 HydrophobicContact CG2-CG2 4.02Å; I156-V158 PolarHBondContact O-N 3.37Å; I156-F172 WeakPolarHBondContact O-CA 3.34Å; I156-D173 HydrophobicContact CG2-CB 4.26Å; I156-D173 PolarHBondContact N-O 2.75Å; I156-D173 PolarHBondContact O-N 2.97Å; I156-L175 HydrophobicContact CB-CD1 3.79Å; I156-L175 HydrophobicContact CB-CG 4.11Å; I156-L175 HydrophobicContact CG2-CD1 4Å; I156-L175 HydrophobicContact CG2-CD2 3.92Å; I156-L175 HydrophobicContact CG2-CG 3.81Å
157A87.6Confident78.6Confident26 Ų2666.5 Ų66.522%0.21540%0.397CS..EExtended strand (participates in β ladder)trans-74.5120.7175.900000110.2N125 S171 F172N125-A157 WeakPolarHBondContact ND2-CB 3.41Å; A157-S171 WeakPolarHBondContact CA-O 3.32Å; A157-F172 HydrophobicContact CB-CD1 4.22Å; A157-F172 HydrophobicContact CB-CE1 3.95Å
158V85.4Confident79.6Confident53 Ų5364.2 Ų64.232%0.32139%0.389SS..EExtended strand (participates in β ladder)trans-121.4140.9175.5-175.40000108I156 E160 S171 D173I156-V158 HydrophobicContact CG2-CG2 4.02Å; I156-V158 PolarHBondContact O-N 3.37Å; V158-E160 HydrophobicContact CG1-CG 4.46Å; V158-E160 PolarHBondContact O-N 3.49Å; V158-S171 PolarHBondContact N-O 3.19Å; V158-S171 PolarHBondContact O-N 2.89Å; V158-S171 VanDerWaalsContact O-O 3.08Å; V158-D173 HydrophobicContact CG2-CB 4Å
159E84Confident80.7Confident103 Ų10365.2 Ų65.248%0.48140%0.397SS..EExtended strand (participates in β ladder)trans-84.2103.7168.9-74.9166.2-160.100106.9R129 K170R129-E159 IonicContact NH1-OE1 3.9Å; E159-K170 HydrophobicContact CG-CD 4.5Å; E159-K170 HydrophobicContact CG-CG 3.71Å; E159-K170 VanDerWaalsContact OE1-CE 3.31Å; E159-K170 WeakPolarHBondContact OE1-CE 3.37Å
160E76.9Confident81.3Confident42 Ų4265.5 Ų65.520%0.19638%0.378CS..EExtended strand (participates in β ladder)trans-87.1127.2176.2-75.6-174.7146.700109.2V158 T169 S171 R242V158-E160 HydrophobicContact CG1-CG 4.46Å; V158-E160 PolarHBondContact O-N 3.49Å; E160-T169 PolarHBondContact N-O 3.3Å; E160-T169 PolarHBondContact O-N 3.1Å; E160-S171 VanDerWaalsContact CG-OG 3.25Å; E160-S171 WeakPolarHBondContact CG-OG 3.34Å; E160-S171 PolarHBondContact OE2-OG 3.15Å; E160-R242 IonicContact OE1-NH1 3.69Å; E160-R242 PolarHBondContact OE1-NH1 3.26Å; E160-R242 VanDerWaalsContact OE1-NH1 3.09Å
161V77.7Confident81.6Confident111 Ų11162.6 Ų62.667%0.67337%0.365SS*.  trans-88.3114.8167.2-172.90000105.5T168V161-T168 HydrophobicContact CG2-CG2 3.95Å
162H71.1Confident82Confident69 Ų6962.3 Ų62.332%0.31936%0.359SS..  trans-77.4141174.7-61.6109.8000110.5D164 G165 S166 T169H162-D164 WeakPolarHBondContact CB-OD1 3.46Å; H162-D164 IonicContact CG-OD1 3.53Å; H162-D164 PolarHBondContact O-N 3.01Å; H162-G165 PolarHBondContact O-N 3.15Å; H162-S166 VanDerWaalsContact CB-OG 3.3Å; H162-S166 WeakPolarHBondContact CB-OG 3.41Å; H162-S166 PolarHBondContact ND1-OG 3.38Å; H162-T169 PolarHBondContact CE1-OG1 3.44Å
163D70.1Confident82Confident158 Ų15864.3 Ų64.385%0.84537%0.37SS*.THydrogen-bonded Turntrans-70-11.7176.2-70.1-26.9000113G165D163-G165 PolarHBondContact O-N 3Å
164D70.5Confident82Confident107 Ų10766.4 Ų66.457%0.57238%0.38SS*.THydrogen-bonded Turntrans-79.7-1.6179.368.4-3.4000113.8H162 S166H162-D164 WeakPolarHBondContact CB-OD1 3.46Å; H162-D164 IonicContact CG-OD1 3.53Å; H162-D164 PolarHBondContact O-N 3.01Å; D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 PolarHBondContact O-N 2.89Å; D164-S166 WeakPolarHBondContact OD1-CB 3.37Å; D164-S166 PolarHBondContact OD1-N 3.07Å; D164-S166 PolarHBondContact OD1-OG 2.81Å; D164-S166 PolarHBondContact OD2-OG 3.2Å
165G71.9Confident81.9Confident70 Ų7067.1 Ų67.172%0.72238%0.383SS*.  trans77.27.2-177.800000114.3H162 D163H162-G165 PolarHBondContact O-N 3.15Å; D163-G165 PolarHBondContact O-N 3Å
166S76.5Confident81.9Confident40 Ų4073.5 Ų73.528%0.2841%0.407SS..PPolyproline II helixtrans-65.5154.8170.9660000111.2H162 D164H162-S166 VanDerWaalsContact CB-OG 3.3Å; H162-S166 WeakPolarHBondContact CB-OG 3.41Å; H162-S166 PolarHBondContact ND1-OG 3.38Å; D164-S166 VanDerWaalsContact C-N 3.26Å; D164-S166 PolarHBondContact O-N 2.89Å; D164-S166 WeakPolarHBondContact OD1-CB 3.37Å; D164-S166 PolarHBondContact OD1-N 3.07Å; D164-S166 PolarHBondContact OD1-OG 2.81Å; D164-S166 PolarHBondContact OD2-OG 3.2Å
167P80.5Confident81.9Confident112 Ų11272.7 Ų72.773%0.72740%0.404SS*.PPolyproline II helixtrans-54.7148.9176.3-24.333.8000111.5T169P167-T169 PolarHBondContact O-N 3.23Å; P167-T169 VanDerWaalsContact O-N 3.08Å
168T80.3Confident82Confident91 Ų9173.9 Ų73.956%0.55841%0.405SS*.PPolyproline II helixtrans-57.6116.4176.951.10000110.1V161V161-T168 HydrophobicContact CG2-CG2 3.95Å
169T81.9Confident82.3Confident61 Ų6174 Ų7437%0.37441%0.406SS..EExtended strand (participates in β ladder)trans-98.2142.4175.360.80000110E160 H162 P167 S171E160-T169 PolarHBondContact N-O 3.3Å; E160-T169 PolarHBondContact O-N 3.1Å; H162-T169 PolarHBondContact CE1-OG1 3.44Å; P167-T169 PolarHBondContact O-N 3.23Å; P167-T169 VanDerWaalsContact O-N 3.08Å; T169-S171 PolarHBondContact O-N 3.43Å
170K83.4Confident82.7Confident76 Ų7673.7 Ų73.733%0.3341%0.407SS..EExtended strand (participates in β ladder)trans-80.3113.4168.4-69.2176.5-174.1178.40107.9I122 E126 E159I122-K170 WeakPolarHBondContact CD1-O 3.27Å; I122-K170 HydrophobicContact CG2-CB 3.95Å; I122-K170 HydrophobicContact CG2-CD 4.4Å; E126-K170 WeakPolarHBondContact OE1-CD 3.43Å; E126-K170 IonicContact OE1-NZ 3.09Å; E126-K170 PolarHBondContact OE1-NZ 3.26Å; E159-K170 HydrophobicContact CG-CD 4.5Å; E159-K170 HydrophobicContact CG-CG 3.71Å; E159-K170 VanDerWaalsContact OE1-CE 3.31Å; E159-K170 WeakPolarHBondContact OE1-CE 3.37Å
171S84.6Confident83.2Confident27 Ų2773.2 Ų73.219%0.18941%0.411CS..EExtended strand (participates in β ladder)trans-114.1163.117561.90000109.8A157 V158 E160 T169A157-S171 WeakPolarHBondContact CA-O 3.32Å; V158-S171 PolarHBondContact N-O 3.19Å; V158-S171 PolarHBondContact O-N 2.89Å; V158-S171 VanDerWaalsContact O-O 3.08Å; E160-S171 VanDerWaalsContact CG-OG 3.25Å; E160-S171 WeakPolarHBondContact CG-OG 3.34Å; E160-S171 PolarHBondContact OE2-OG 3.15Å; T169-S171 PolarHBondContact O-N 3.43Å
172F88.8Confident83.8Confident41 Ų4173.9 Ų73.918%0.1841%0.406CS..EExtended strand (participates in β ladder)trans-99116.5173.2-78.7-66.5000108.7D121 I122 N125 L137 Y155 I156 A157D121-F172 HydrophobicContact CB-CE2 3.85Å; D121-F172 HydrophobicContact CB-CZ 4.21Å; I122-F172 HydrophobicContact CG1-CD2 4.34Å; I122-F172 HydrophobicContact CG1-CE2 3.75Å; I122-F172 HydrophobicContact CG1-CZ 4.48Å; N125-F172 HydrophobicContact CB-CE1 4.33Å; N125-F172 HydrophobicContact CB-CZ 4.02Å; L137-F172 HydrophobicContact CB-CE1 4.25Å; L137-F172 HydrophobicContact CD2-CD1 4.4Å; L137-F172 HydrophobicContact CD2-CE1 4.03Å; L137-F172 HydrophobicContact CD2-CE2 4.28Å; L137-F172 HydrophobicContact CD2-CZ 3.97Å; Y155-F172 HydrophobicContact CD1-CB 4.06Å; Y155-F172 HydrophobicContact CG-CB 4.24Å; I156-F172 WeakPolarHBondContact O-CA 3.34Å; A157-F172 HydrophobicContact CB-CD1 4.22Å; A157-F172 HydrophobicContact CB-CE1 3.95Å
173D87.1Confident84.7Confident46 Ų4678.3 Ų78.325%0.24643%0.427CS..EExtended strand (participates in β ladder)trans-89138.1171.4-161.74.6000109Y155 I156 V158 R242Y155-D173 VanDerWaalsContact CA-O 3.31Å; Y155-D173 WeakPolarHBondContact CA-O 3.37Å; I156-D173 HydrophobicContact CG2-CB 4.26Å; I156-D173 PolarHBondContact N-O 2.75Å; I156-D173 PolarHBondContact O-N 2.97Å; V158-D173 HydrophobicContact CG2-CB 4Å; D173-R242 IonicContact OD2-NH1 2.59Å; D173-R242 IonicContact OD2-NH2 3.87Å
174H89.6Confident85.7Confident101 Ų10174.6 Ų74.647%0.46842%0.419SS..EExtended strand (participates in β ladder)trans-75.8129.4-177.9-178.869.5000110.5A154 Y155A154-H174 PolarHBondContact O-ND1 3.12Å; Y155-H174 HydrophobicContact CD1-CB 4.2Å; Y155-H174 HydrophobicContact CE1-CB 3.99Å; Y155-H174 AromaticContact CE1-ND1 3.81Å
175L89.7Confident86.6Confident15 Ų1571.1 Ų71.18%0.07940%0.399CS..EExtended strand (participates in β ladder)trans-101.9141.8172.3-69.5-178.6000110I21 V24 V136 A154 I156 S177I21-L175 HydrophobicContact CB-CD1 4.37Å; I21-L175 HydrophobicContact CG2-CD1 4.09Å; I21-L175 WeakPolarHBondContact O-CD2 3.26Å; V24-L175 HydrophobicContact CG2-CB 4.26Å; V24-L175 HydrophobicContact CG2-CD1 3.95Å; V136-L175 HydrophobicContact CG2-CD1 4.3Å; A154-L175 HydrophobicContact CB-CB 4.06Å; A154-L175 PolarHBondContact O-N 3.33Å; I156-L175 HydrophobicContact CB-CD1 3.79Å; I156-L175 HydrophobicContact CB-CG 4.11Å; I156-L175 HydrophobicContact CG2-CD1 4Å; I156-L175 HydrophobicContact CG2-CD2 3.92Å; I156-L175 HydrophobicContact CG2-CG 3.81Å; L175-S177 PolarHBondContact O-N 2.94Å; L175-S177 VanDerWaalsContact O-N 3.07Å
176R91.6Very high87.4Confident165 Ų16573.5 Ų73.562%0.62339%0.391SS*.EExtended strand (participates in β ladder)trans-59.2116173179.9174.5171.51680.1109.7K23 V24 E178K23-R176 WeakPolarHBondContact CA-O 3.45Å; V24-R176 PolarHBondContact N-O 2.8Å; R176-E178 IonicContact CZ-OE1 2.84Å; R176-E178 IonicContact NE-OE1 3.21Å; R176-E178 PolarHBondContact NE-OE1 3.31Å; R176-E178 IonicContact NH2-OE1 2.72Å; R176-E178 PolarHBondContact NH2-OE1 2.89Å
177S90.3Very high88.1Confident12 Ų1276.1 Ų76.18%0.08441%0.405CS..EExtended strand (participates in β ladder)trans-100.3136.6175.2176.90000110V24 T152 L175V24-S177 WeakPolarHBondContact O-CA 3.37Å; T152-S177 WeakPolarHBondContact CB-OG 3.24Å; T152-S177 PolarHBondContact O-OG 3.46Å; T152-S177 PolarHBondContact OG1-OG 3.22Å; L175-S177 PolarHBondContact O-N 2.94Å; L175-S177 VanDerWaalsContact O-N 3.07Å
178E90.8Very high88.5Confident51 Ų5172.5 Ų72.524%0.23839%0.388CS..EExtended strand (participates in β ladder)trans-133.9151.8167.9-71.5178.6-151.600109.3K23 V24 V25 V26 R176K23-E178 WeakPolarHBondContact CE-OE1 3.44Å; K23-E178 WeakPolarHBondContact CE-OE2 3.5Å; K23-E178 IonicContact NZ-OE1 3Å; K23-E178 IonicContact NZ-OE2 3.18Å; K23-E178 PolarHBondContact NZ-OE2 3.31Å; V24-E178 PolarHBondContact O-N 3.42Å; V25-E178 WeakPolarHBondContact CA-O 3.35Å; V26-E178 PolarHBondContact N-O 3Å; R176-E178 IonicContact CZ-OE1 2.84Å; R176-E178 IonicContact NE-OE1 3.21Å; R176-E178 PolarHBondContact NE-OE1 3.31Å; R176-E178 IonicContact NH2-OE1 2.72Å; R176-E178 PolarHBondContact NH2-OE1 2.89Å
179V91.4Very high89Confident55 Ų5570.6 Ų70.633%0.33338%0.376SS..EExtended strand (participates in β ladder)trans-101.9124.2171.6178.70000107.1V26 P28 L31 L150 T152V26-V179 VanDerWaalsContact O-CA 3.31Å; V26-V179 WeakPolarHBondContact O-CA 3.29Å; V26-V179 WeakPolarHBondContact O-CG1 3.32Å; P28-V179 HydrophobicContact CG-CG1 4.1Å; L31-V179 HydrophobicContact CD1-CG1 4.28Å; L31-V179 HydrophobicContact CD1-CG2 4.03Å; L150-V179 HydrophobicContact CD2-CB 4.4Å; L150-V179 HydrophobicContact CD2-CG2 3.89Å; T152-V179 HydrophobicContact CG2-CG2 4.37Å
180D91.1Very high89.2Confident97 Ų9772.9 Ų72.952%0.51938%0.383SS..  trans-134.6152178-157.91.7000108.3V25 V26 H27 P28V25-D180 HydrophobicContact CG1-CB 3.32Å; V26-D180 PolarHBondContact O-N 2.78Å; H27-D180 WeakPolarHBondContact CA-O 3.28Å; P28-D180 WeakPolarHBondContact CD-O 3.49Å
181A88.9Confident89.5Confident32 Ų3275.1 Ų75.126%0.26439%0.394SS..  trans-120.5142.4-175.600000110.7P28 E185 E186P28-A181 HydrophobicContact CG-CB 4.02Å; A181-E185 HydrophobicContact CB-CB 4.29Å; A181-E186 HydrophobicContact CB-CB 4.32Å
182E89.2Confident89.7Confident125 Ų12580 Ų8058%0.58442%0.417SS*.  trans-71.4153.4165-168.2168.4-169.800110.1A184 E185 E186E182-A184 PolarHBondContact O-N 3.11Å; E182-A184 VanDerWaalsContact O-N 3.08Å; E182-E185 HydrophobicContact CB-CG 4.48Å; E182-E185 CarbonylContact O-C 3.52Å; E182-E185 WeakPolarHBondContact O-CA 3.17Å; E182-E185 WeakPolarHBondContact O-CB 3.46Å; E182-E185 PolarHBondContact O-N 2.66Å; E182-E186 PolarHBondContact O-N 2.92Å
183E90.6Very high89.6Confident163 Ų16381.2 Ų81.276%0.76243%0.426SS*.Hα-helixtrans-51.3-38.5-177.7-174.8179.9-178.300112.7E186 V187E183-E186 PolarHBondContact O-N 2.93Å; E183-V187 WeakPolarHBondContact O-CG2 3.45Å; E183-V187 PolarHBondContact O-N 3.07Å
184A91Very high89.4Confident80 Ų8087.1 Ų87.166%0.66144%0.444SS*.Hα-helixtrans-67.7-37.6176.200000112.9E182 G188E182-A184 PolarHBondContact O-N 3.11Å; E182-A184 VanDerWaalsContact O-N 3.08Å; A184-G188 PolarHBondContact O-N 3.48Å
185E89.8Confident89Confident33 Ų3389.9 Ų89.915%0.15446%0.463CS..Hα-helixtrans-73.6-37176.1-64-162.9177.800111.6H27 P28 L29 A181 E182 V187 G188 V189H27-E185 IonicContact ND1-OE1 3.07Å; H27-E185 IonicContact ND1-OE2 2.59Å; P28-E185 WeakPolarHBondContact CD-OE2 3.5Å; L29-E185 WeakPolarHBondContact CB-OE1 3.37Å; L29-E185 PolarHBondContact N-OE2 3.15Å; A181-E185 HydrophobicContact CB-CB 4.29Å; E182-E185 HydrophobicContact CB-CG 4.48Å; E182-E185 CarbonylContact O-C 3.52Å; E182-E185 WeakPolarHBondContact O-CA 3.17Å; E182-E185 WeakPolarHBondContact O-CB 3.46Å; E182-E185 PolarHBondContact O-N 2.66Å; E185-V187 VanDerWaalsContact C-N 3.33Å; E185-V187 PolarHBondContact O-N 3.35Å; E185-G188 CarbonylContact O-C 3.55Å; E185-G188 WeakPolarHBondContact O-CA 3.42Å; E185-G188 PolarHBondContact O-N 2.92Å; E185-V189 WeakPolarHBondContact O-CG2 3.23Å; E185-V189 PolarHBondContact O-N 3.28Å
186E88.3Confident88.6Confident121 Ų12195.5 Ų95.557%0.56549%0.491SS*.Hα-helixtrans-58.2-45.8178.8-172.4175.5-170.600111.1A181 E182 E183 G188 V189 E190A181-E186 HydrophobicContact CB-CB 4.32Å; E182-E186 PolarHBondContact O-N 2.92Å; E183-E186 PolarHBondContact O-N 2.93Å; E186-G188 VanDerWaalsContact C-N 3.29Å; E186-G188 PolarHBondContact O-N 3.42Å; E186-V189 PolarHBondContact O-N 3.01Å; E186-E190 VanDerWaalsContact O-CB 3.3Å; E186-E190 WeakPolarHBondContact O-CB 3.38Å; E186-E190 PolarHBondContact O-N 2.99Å
187V90.9Very high87.5Confident94 Ų9493.9 Ų93.957%0.5749%0.489SS*.Hα-helixtrans-61.4-39.2175.1176.90000111.5E183 E185 H191E183-V187 WeakPolarHBondContact O-CG2 3.45Å; E183-V187 PolarHBondContact O-N 3.07Å; E185-V187 VanDerWaalsContact C-N 3.33Å; E185-V187 PolarHBondContact O-N 3.35Å; V187-H191 WeakPolarHBondContact O-CB 3.42Å; V187-H191 PolarHBondContact O-N 2.92Å
188G89.9Confident86.3Confident36 Ų3698.5 Ų98.537%0.37151%0.513SS..Hα-helixtrans-65.1-47.417700000112.4A184 E185 E186 H191 L192A184-G188 PolarHBondContact O-N 3.48Å; E185-G188 CarbonylContact O-C 3.55Å; E185-G188 WeakPolarHBondContact O-CA 3.42Å; E185-G188 PolarHBondContact O-N 2.92Å; E186-G188 VanDerWaalsContact C-N 3.29Å; E186-G188 PolarHBondContact O-N 3.42Å; G188-H191 PolarHBondContact O-N 3.4Å; G188-L192 WeakPolarHBondContact O-CG 3.29Å; G188-L192 PolarHBondContact O-N 3.19Å; G188-L192 VanDerWaalsContact O-N 3.09Å
189V89.6Confident85.2Confident51 Ų51101.3 Ų101.331%0.30953%0.533SS..Hα-helixtrans-66.1-43.7178.61740000110.8P28 E185 E186 H191 L192 L193P28-V189 HydrophobicContact CB-CG2 3.98Å; P28-V189 HydrophobicContact CG-CG2 4.27Å; E185-V189 WeakPolarHBondContact O-CG2 3.23Å; E185-V189 PolarHBondContact O-N 3.28Å; E186-V189 PolarHBondContact O-N 3.01Å; V189-H191 VanDerWaalsContact C-N 3.27Å; V189-H191 PolarHBondContact O-N 2.96Å; V189-L192 PolarHBondContact O-N 3.4Å; V189-L193 HydrophobicContact CG1-CD1 3.68Å; V189-L193 HydrophobicContact CG1-CG 4.22Å; V189-L193 WeakPolarHBondContact O-CB 3.15Å; V189-L193 VanDerWaalsContact O-CG 3.32Å; V189-L193 WeakPolarHBondContact O-CG 3.04Å; V189-L193 PolarHBondContact O-N 2.89Å
190E87.2Confident84.1Confident110 Ų110103.6 Ų103.651%0.51455%0.552SS.*Hα-helixtrans-59.2-41.1176-171.1-170.8-179.100111.2E186 L193 R194E186-E190 VanDerWaalsContact O-CB 3.3Å; E186-E190 WeakPolarHBondContact O-CB 3.38Å; E186-E190 PolarHBondContact O-N 2.99Å; E190-L193 PolarHBondContact O-N 3.17Å; E190-R194 WeakPolarHBondContact O-CG 3.37Å; E190-R194 PolarHBondContact O-N 2.73Å
191H89.3Confident83.2Confident123 Ų123103.6 Ų103.657%0.56955%0.552SS**Hα-helixtrans-63.6-42.8176.8-171.764.4000112.4V187 G188 V189 L193 R194V187-H191 WeakPolarHBondContact O-CB 3.42Å; V187-H191 PolarHBondContact O-N 2.92Å; G188-H191 PolarHBondContact O-N 3.4Å; V189-H191 VanDerWaalsContact C-N 3.27Å; V189-H191 PolarHBondContact O-N 2.96Å; H191-L193 VanDerWaalsContact C-N 3.29Å; H191-L193 PolarHBondContact O-N 3.16Å; H191-R194 WeakPolarHBondContact O-CG 3.49Å
192L87.9Confident82.8Confident128 Ų128104.3 Ų104.367%0.6756%0.562SS**Hα-helixtrans-67.7-29177.7-67.7172.5000112.8G188 V189G188-L192 WeakPolarHBondContact O-CG 3.29Å; G188-L192 PolarHBondContact O-N 3.19Å; G188-L192 VanDerWaalsContact O-N 3.09Å; V189-L192 PolarHBondContact O-N 3.4Å
193L87.1Confident82.6Confident68 Ų68102.6 Ų102.636%0.35656%0.563SS.*G310 helixtrans-89.12-177-69.7178.7000114.5V189 E190 H191 D195 I196 K197V189-L193 HydrophobicContact CG1-CD1 3.68Å; V189-L193 HydrophobicContact CG1-CG 4.22Å; V189-L193 WeakPolarHBondContact O-CB 3.15Å; V189-L193 VanDerWaalsContact O-CG 3.32Å; V189-L193 WeakPolarHBondContact O-CG 3.04Å; V189-L193 PolarHBondContact O-N 2.89Å; E190-L193 PolarHBondContact O-N 3.17Å; H191-L193 VanDerWaalsContact C-N 3.29Å; H191-L193 PolarHBondContact O-N 3.16Å; L193-D195 PolarHBondContact O-N 2.9Å; L193-D195 VanDerWaalsContact O-N 3.14Å; L193-I196 HydrophobicContact CD2-CD1 4.38Å; L193-I196 PolarHBondContact O-N 2.97Å; L193-I196 VanDerWaalsContact O-N 3.07Å; L193-K197 HydrophobicContact CB-CB 4.33Å; L193-K197 WeakPolarHBondContact O-CB 3.35Å; L193-K197 PolarHBondContact O-N 3.41Å
194R82.7Confident82.5Confident169 Ų169100.5 Ų100.564%0.63856%0.557SS**G310 helixtrans-57.8-29.7-178.8-72.3-178.8176.2-140.7-6114E190 H191E190-R194 WeakPolarHBondContact O-CG 3.37Å; E190-R194 PolarHBondContact O-N 2.73Å; H191-R194 WeakPolarHBondContact O-CG 3.49Å
195D82.6Confident82.3Confident160 Ų16099.6 Ų99.686%0.85655%0.545SS*.G310 helixtrans-82.9-17.8-178.6-64.8-17.9000113.1L193L193-D195 PolarHBondContact O-N 2.9Å; L193-D195 VanDerWaalsContact O-N 3.14Å
196I79.6Confident82.1Confident132 Ų132104.1 Ų104.168%0.67757%0.567SS**THydrogen-bonded Turntrans-111.6-40.8-173.1-57.9173.7000111.3L193 D198L193-I196 HydrophobicContact CD2-CD1 4.38Å; L193-I196 PolarHBondContact O-N 2.97Å; L193-I196 VanDerWaalsContact O-N 3.07Å; I196-D198 PolarHBondContact O-N 2.89Å
197K68.7Low82.1Confident132 Ų132106.8 Ų106.857%0.57457%0.572SS**  trans-82.5103.8-174.3-171179.4-180-176.60109.4L193 T199L193-K197 HydrophobicContact CB-CB 4.33Å; L193-K197 WeakPolarHBondContact O-CB 3.35Å; L193-K197 PolarHBondContact O-N 3.41Å; K197-T199 PolarHBondContact O-N 3.01Å; K197-T199 PolarHBondContact O-OG1 2.9Å
198D65.8Low82.2Confident108 Ų108106.7 Ų106.758%0.57857%0.567SS**  trans-62.680.4163.4-71.8-29.6000109.6I196 S200 L201I196-D198 PolarHBondContact O-N 2.89Å; D198-S200 PolarHBondContact O-N 2.88Å; D198-L201 HydrophobicContact CB-CD1 3.84Å; D198-L201 HydrophobicContact CB-CG 3.78Å; D198-L201 WeakPolarHBondContact O-CB 3.31Å; D198-L201 PolarHBondContact O-N 3.35Å
199T68.4Low82.1Confident110 Ų110106.2 Ų106.268%0.67556%0.562SS**THydrogen-bonded Turntrans-62.1-12.8176.6-58.60000110.9K197 L201K197-T199 PolarHBondContact O-N 3.01Å; K197-T199 PolarHBondContact O-OG1 2.9Å; T199-L201 VanDerWaalsContact C-N 3.35Å
200S68.4Low81.9Confident104 Ų104107.6 Ų107.673%0.72757%0.573SS**THydrogen-bonded Turntrans-77.9-7.6172.453.30000115.2D198 G202D198-S200 PolarHBondContact O-N 2.88Å; S200-G202 PolarHBondContact O-N 3.18Å; S200-G202 VanDerWaalsContact O-N 3.1Å
201L71.2Confident82.1Confident97 Ų97109 Ų10951%0.50858%0.58SS.*  trans-65.7114.5176.4-72.5167.4000109.6D198 T199D198-L201 HydrophobicContact CB-CD1 3.84Å; D198-L201 HydrophobicContact CB-CG 3.78Å; D198-L201 WeakPolarHBondContact O-CB 3.31Å; D198-L201 PolarHBondContact O-N 3.35Å; T199-L201 VanDerWaalsContact C-N 3.35Å
202G79.9Confident82.2Confident46 Ų46108.4 Ų108.447%0.47458%0.58SS.*  trans-58.5155.2176.800000112S200 L204 S205 Q206S200-G202 PolarHBondContact O-N 3.18Å; S200-G202 VanDerWaalsContact O-N 3.1Å; G202-L204 PolarHBondContact O-N 3.11Å; G202-S205 WeakPolarHBondContact O-CB 3.25Å; G202-S205 PolarHBondContact O-N 2.98Å; G202-Q206 PolarHBondContact O-N 2.91Å
203S86.7Confident82.2Confident89 Ų89107.1 Ų107.162%0.62257%0.574SS**Hα-helixtrans-54.3-29.4-177.461.30000114.4R207S203-R207 VanDerWaalsContact O-CG 3.3Å; S203-R207 WeakPolarHBondContact O-CG 3.45Å; S203-R207 PolarHBondContact O-N 2.98Å
204L86.9Confident82.3Confident120 Ų120106 Ų10663%0.62858%0.579SS**Hα-helixtrans-68.3-45174.7179.161.7000112G202 Q206 R207 I208G202-L204 PolarHBondContact O-N 3.11Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.18Å; L204-R207 PolarHBondContact O-N 3.27Å; L204-I208 HydrophobicContact CD1-CD1 4.02Å; L204-I208 HydrophobicContact CD1-CG1 4.29Å; L204-I208 HydrophobicContact CG-CD1 3.92Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 3.22Å
205S86.9Confident82.8Confident60 Ų60103.8 Ų103.842%0.4258%0.579SS.*Hα-helixtrans-63.9-41.1-179.3-164.50000110.9G202 R207 I208 G209G202-S205 WeakPolarHBondContact O-CB 3.25Å; G202-S205 PolarHBondContact O-N 2.98Å; S205-R207 PolarHBondContact O-N 3.42Å; S205-I208 PolarHBondContact O-N 2.88Å; S205-G209 PolarHBondContact O-N 2.59Å
206Q86.5Confident83.2Confident129 Ų12998.5 Ų98.560%0.60356%0.555SS**Hα-helixtrans-61-44.2175.1-170.3-178.510.500111.5G202 L204 I208 G209 C210G202-Q206 PolarHBondContact O-N 2.91Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.18Å; Q206-I208 PolarHBondContact O-N 2.91Å; Q206-G209 PolarHBondContact O-N 2.76Å; Q206-C210 PolarHBondContact O-N 3.18Å; Q206-C210 PolarHBondContact O-SG 3Å
207R89.1Confident83.6Confident177 Ų17793.6 Ų93.667%0.66854%0.537SS*.Hα-helixtrans-63.6-41.3177.8-74.5172.4-178.8-103.90.2112.7S203 L204 S205 C210 Q211S203-R207 VanDerWaalsContact O-CG 3.3Å; S203-R207 WeakPolarHBondContact O-CG 3.45Å; S203-R207 PolarHBondContact O-N 2.98Å; L204-R207 PolarHBondContact O-N 3.27Å; S205-R207 PolarHBondContact O-N 3.42Å; R207-C210 PolarHBondContact O-N 2.93Å; R207-Q211 WeakPolarHBondContact O-CG 3.26Å; R207-Q211 PolarHBondContact O-N 3.35Å
208I91Very high84.6Confident91 Ų9192.2 Ų92.247%0.46754%0.535SS..Hα-helixtrans-65.3-42.9176-66.5168.9000110.1L204 S205 Q206 Q211 L212L204-I208 HydrophobicContact CD1-CD1 4.02Å; L204-I208 HydrophobicContact CD1-CG1 4.29Å; L204-I208 HydrophobicContact CG-CD1 3.92Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 3.22Å; S205-I208 PolarHBondContact O-N 2.88Å; Q206-I208 PolarHBondContact O-N 2.91Å; I208-Q211 PolarHBondContact O-N 2.94Å; I208-L212 PolarHBondContact O-N 2.89Å
209G87.7Confident85.9Confident27 Ų2791.6 Ų91.628%0.27853%0.531SS..Hα-helixtrans-54.8-53.9172.900000111.5S205 Q206 Q211 L212 D213S205-G209 PolarHBondContact O-N 2.59Å; Q206-G209 PolarHBondContact O-N 2.76Å; G209-Q211 VanDerWaalsContact C-N 3.26Å; G209-Q211 PolarHBondContact O-N 2.67Å; G209-L212 PolarHBondContact O-N 3.03Å; G209-D213 WeakPolarHBondContact O-CB 3.39Å; G209-D213 PolarHBondContact O-N 2.87Å
210C87.2Confident86.8Confident79 Ų7990.8 Ų90.853%0.53452%0.516SS..Hα-helixtrans-58.2-34.8177.6-63.70000113.6Q206 R207 G214Q206-C210 PolarHBondContact O-N 3.18Å; Q206-C210 PolarHBondContact O-SG 3Å; R207-C210 PolarHBondContact O-N 2.93Å; C210-G214 PolarHBondContact O-N 2.81Å
211Q90.8Very high87.8Confident139 Ų13991.3 Ų91.365%0.6551%0.507SS*.Hα-helixtrans-69-42.3174.9-75.3179.9-7.900111.9R207 I208 G209 G214 L215R207-Q211 WeakPolarHBondContact O-CG 3.26Å; R207-Q211 PolarHBondContact O-N 3.35Å; I208-Q211 PolarHBondContact O-N 2.94Å; G209-Q211 VanDerWaalsContact C-N 3.26Å; G209-Q211 PolarHBondContact O-N 2.67Å; Q211-G214 PolarHBondContact O-N 3.03Å; Q211-L215 WeakPolarHBondContact O-CG 3.14Å; Q211-L215 PolarHBondContact O-N 2.8Å
212L91.3Very high88.8Confident112 Ų11291.6 Ų91.659%0.58651%0.508SS*.Hα-helixtrans-66.6-42.7178-169.9144.3000111.2I208 G209 G214 L215 S216I208-L212 PolarHBondContact O-N 2.89Å; G209-L212 PolarHBondContact O-N 3.03Å; L212-G214 VanDerWaalsContact C-N 3.35Å; L212-L215 PolarHBondContact O-N 3.02Å; L212-S216 PolarHBondContact O-N 2.87Å; L212-S216 PolarHBondContact O-OG 2.91Å
213D87.7Confident89.5Confident101 Ų10195.5 Ų95.554%0.5451%0.51SS..Hα-helixtrans-65.2-38175.2-63.1-25.9000111.6G209 S216 G217G209-D213 WeakPolarHBondContact O-CB 3.39Å; G209-D213 PolarHBondContact O-N 2.87Å; D213-S216 WeakPolarHBondContact CA-OG 3.19Å; D213-S216 PolarHBondContact O-N 3.03Å; D213-S216 PolarHBondContact O-OG 2.93Å; D213-G217 PolarHBondContact O-N 2.96Å
214G90.1Very high89.6Confident45 Ų4595.9 Ų95.946%0.46450%0.502SS..Hα-helixtrans-63.3-41.1173.400000112.7C210 Q211 L212 L218C210-G214 PolarHBondContact O-N 2.81Å; Q211-G214 PolarHBondContact O-N 3.03Å; L212-G214 VanDerWaalsContact C-N 3.35Å; G214-L218 WeakPolarHBondContact O-CB 3.14Å; G214-L218 PolarHBondContact O-N 3.26Å
215L92.5Very high89.9Confident121 Ų12193.3 Ų93.363%0.63449%0.488SS*.Hα-helixtrans-69.5-40.9176.8-73.3172.7000112.4Q211 L212 L218 L219Q211-L215 WeakPolarHBondContact O-CG 3.14Å; Q211-L215 PolarHBondContact O-N 2.8Å; L212-L215 PolarHBondContact O-N 3.02Å; L215-L218 PolarHBondContact O-N 3Å; L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 PolarHBondContact O-N 3.01Å
216S90.2Very high90.2Very high49 Ų4996.9 Ų96.934%0.34349%0.492SS..Hα-helixtrans-66-40.4176.668.80000111.3L212 D213 L219 R220L212-S216 PolarHBondContact O-N 2.87Å; L212-S216 PolarHBondContact O-OG 2.91Å; D213-S216 WeakPolarHBondContact CA-OG 3.19Å; D213-S216 PolarHBondContact O-N 3.03Å; D213-S216 PolarHBondContact O-OG 2.93Å; S216-L219 PolarHBondContact O-N 3.23Å; S216-R220 PolarHBondContact O-N 2.94Å
217G87.9Confident90.4Very high29 Ų2996.3 Ų96.330%0.29949%0.489SS..Hα-helixtrans-60.9-45.917300000112.8D213 L219 R220 Q221D213-G217 PolarHBondContact O-N 2.96Å; G217-L219 PolarHBondContact O-N 3.29Å; G217-R220 WeakPolarHBondContact O-CB 3.49Å; G217-R220 PolarHBondContact O-N 3.42Å; G217-Q221 WeakPolarHBondContact O-CG 3.47Å; G217-Q221 PolarHBondContact O-N 3.43Å
218L91.2Very high90.5Very high103 Ų10390.2 Ų90.254%0.53947%0.467SS..Hα-helixtrans-61.3-43.1176178.963.5000112G214 L215 R220 Q221 L222G214-L218 WeakPolarHBondContact O-CB 3.14Å; G214-L218 PolarHBondContact O-N 3.26Å; L215-L218 PolarHBondContact O-N 3Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 3.26Å; L218-Q221 PolarHBondContact O-N 2.72Å; L218-L222 WeakPolarHBondContact O-CB 3.23Å; L218-L222 PolarHBondContact O-N 3.34Å
219L92.4Very high90.5Very high95 Ų9589.2 Ų89.250%0.49746%0.462SS..Hα-helixtrans-59.5-42.7177.3179.465000111.2L215 S216 G217 L222 Y223L215-L219 WeakPolarHBondContact O-CB 3.49Å; L215-L219 PolarHBondContact O-N 3.01Å; S216-L219 PolarHBondContact O-N 3.23Å; G217-L219 PolarHBondContact O-N 3.29Å; L219-L222 PolarHBondContact O-N 3.34Å; L219-Y223 HydrophobicContact CD1-CD2 4.06Å; L219-Y223 HydrophobicContact CD1-CE2 3.55Å; L219-Y223 HydrophobicContact CD2-CE2 4.04Å; L219-Y223 HydrophobicContact CG-CD2 3.88Å; L219-Y223 HydrophobicContact CG-CE2 3.55Å; L219-Y223 WeakPolarHBondContact O-CD2 3.37Å; L219-Y223 PolarHBondContact O-N 3.04Å
220R87.8Confident90.8Very high94 Ų9492.6 Ų92.636%0.35547%0.47SS..Hα-helixtrans-62.6-48.6176.7-171.8-155.4-175.1105.1-8.8112D148 S216 G217 L218 L222 Y223 E224D148-R220 VanDerWaalsContact CG-NH2 3.34Å; D148-R220 IonicContact OD1-CZ 3.74Å; D148-R220 IonicContact OD1-NH1 2.75Å; D148-R220 PolarHBondContact OD1-NH1 2.99Å; D148-R220 IonicContact OD1-NH2 3.23Å; D148-R220 IonicContact OD2-CZ 2.67Å; D148-R220 IonicContact OD2-NH1 3.01Å; D148-R220 PolarHBondContact OD2-NH1 3.46Å; D148-R220 VanDerWaalsContact OD2-NH1 3.11Å; D148-R220 IonicContact OD2-NH2 3.97Å; D148-R220 PolarHBondContact OD2-NH2 2.97Å; S216-R220 PolarHBondContact O-N 2.94Å; G217-R220 WeakPolarHBondContact O-CB 3.49Å; G217-R220 PolarHBondContact O-N 3.42Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 3.26Å; R220-L222 PolarHBondContact O-N 3.47Å; R220-Y223 WeakPolarHBondContact O-CA 3.34Å; R220-Y223 WeakPolarHBondContact O-CB 3.3Å; R220-Y223 PolarHBondContact O-N 3.44Å; R220-E224 IonicContact NE-OE1 2.74Å; R220-E224 PolarHBondContact NE-OE1 3.28Å; R220-E224 PolarHBondContact O-N 2.96Å
221Q88.5Confident91Very high115 Ų11591.4 Ų91.454%0.53746%0.459SS..Hα-helixtrans-58.3-38.5177.2-71.7178.8-9.700111.4G217 L218 E224 I225G217-Q221 WeakPolarHBondContact O-CG 3.47Å; G217-Q221 PolarHBondContact O-N 3.43Å; L218-Q221 PolarHBondContact O-N 2.72Å; Q221-E224 PolarHBondContact O-N 3.49Å; Q221-I225 VanDerWaalsContact O-CG1 3.28Å; Q221-I225 WeakPolarHBondContact O-CG1 3.43Å; Q221-I225 PolarHBondContact O-N 3.18Å
222L92.8Very high91Very high103 Ų10385.7 Ų85.754%0.53943%0.433SS..Hα-helixtrans-66.9-37.2175.6-167.3147.7000112.3L218 L219 R220 R226L218-L222 WeakPolarHBondContact O-CB 3.23Å; L218-L222 PolarHBondContact O-N 3.34Å; L219-L222 PolarHBondContact O-N 3.34Å; R220-L222 PolarHBondContact O-N 3.47Å; L222-R226 WeakPolarHBondContact O-CB 3.41Å; L222-R226 PolarHBondContact O-N 2.87Å
223Y94Very high90.9Very high128 Ų12885.1 Ų85.150%0.50244%0.438SS..Hα-helixtrans-64.3-42.1172.2-82.6-65.7000112.5L219 R220 R226 E227L219-Y223 HydrophobicContact CD1-CD2 4.06Å; L219-Y223 HydrophobicContact CD1-CE2 3.55Å; L219-Y223 HydrophobicContact CD2-CE2 4.04Å; L219-Y223 HydrophobicContact CG-CD2 3.88Å; L219-Y223 HydrophobicContact CG-CE2 3.55Å; L219-Y223 WeakPolarHBondContact O-CD2 3.37Å; L219-Y223 PolarHBondContact O-N 3.04Å; R220-Y223 WeakPolarHBondContact O-CA 3.34Å; R220-Y223 WeakPolarHBondContact O-CB 3.3Å; R220-Y223 PolarHBondContact O-N 3.44Å; Y223-R226 WeakPolarHBondContact O-CB 3.46Å; Y223-R226 PolarHBondContact O-N 3.35Å; Y223-E227 PolarHBondContact O-N 3.32Å
224E89.5Confident91.1Very high97 Ų9783.8 Ų83.845%0.45344%0.437SS..Hα-helixtrans-63.6-43176.6-70.6172.6-172.100111.3R220 Q221 R226 E227 Y228R220-E224 IonicContact NE-OE1 2.74Å; R220-E224 PolarHBondContact NE-OE1 3.28Å; R220-E224 PolarHBondContact O-N 2.96Å; Q221-E224 PolarHBondContact O-N 3.49Å; E224-R226 VanDerWaalsContact C-N 3.33Å; E224-R226 PolarHBondContact O-N 2.84Å; E224-E227 PolarHBondContact O-N 2.98Å; E224-Y228 WeakPolarHBondContact O-CB 3.41Å; E224-Y228 PolarHBondContact O-N 2.72Å
225I91.9Very high90.8Very high66 Ų6688.9 Ų88.934%0.33845%0.454SS..Hα-helixtrans-60.6-44173.3-68.9165.6000110.7Q221 Y228 L229 L247Q221-I225 VanDerWaalsContact O-CG1 3.28Å; Q221-I225 WeakPolarHBondContact O-CG1 3.43Å; Q221-I225 PolarHBondContact O-N 3.18Å; I225-Y228 PolarHBondContact O-N 2.74Å; I225-L229 HydrophobicContact CG2-CD1 4.09Å; I225-L229 HydrophobicContact CG2-CG 4.45Å; I225-L229 WeakPolarHBondContact O-CG 3.46Å; I225-L229 PolarHBondContact O-N 3Å; I225-L247 HydrophobicContact CD1-CD2 3.97Å; I225-L247 HydrophobicContact CG1-CD2 4.19Å; I225-L247 HydrophobicContact CG2-CD1 4.19Å; I225-L247 HydrophobicContact CG2-CD2 3.65Å
226R93.2Very high90.4Very high134 Ų13491 Ų9151%0.50646%0.458SS..Hα-helixtrans-61.5-45.6176.8175.1-174.3165.3-173.6-1.4111.4L222 Y223 E224 Y228 L229 Q230L222-R226 WeakPolarHBondContact O-CB 3.41Å; L222-R226 PolarHBondContact O-N 2.87Å; Y223-R226 WeakPolarHBondContact O-CB 3.46Å; Y223-R226 PolarHBondContact O-N 3.35Å; E224-R226 VanDerWaalsContact C-N 3.33Å; E224-R226 PolarHBondContact O-N 2.84Å; R226-Y228 VanDerWaalsContact C-N 3.35Å; R226-L229 PolarHBondContact O-N 3.21Å; R226-Q230 HydrophobicContact CG-CG 4.41Å; R226-Q230 WeakPolarHBondContact O-CB 3.37Å; R226-Q230 VanDerWaalsContact O-CG 3.28Å; R226-Q230 WeakPolarHBondContact O-CG 3.19Å; R226-Q230 PolarHBondContact O-N 3.36Å
227E92.3Very high89.9Confident117 Ų11792.5 Ų92.555%0.54746%0.462SS..Hα-helixtrans-61.3-45178.6-172.9179.3175.300110.7Y223 E224 L229 Q230 L231Y223-E227 PolarHBondContact O-N 3.32Å; E224-E227 PolarHBondContact O-N 2.98Å; E227-L229 PolarHBondContact O-N 3.39Å; E227-Q230 PolarHBondContact O-N 3.11Å; E227-L231 HydrophobicContact CG-CD1 4.21Å; E227-L231 WeakPolarHBondContact O-CB 3.39Å; E227-L231 VanDerWaalsContact O-CG 3.3Å; E227-L231 WeakPolarHBondContact O-CG 3.49Å; E227-L231 PolarHBondContact O-N 2.82Å
228Y90.5Very high89.5Confident49 Ų4996.6 Ų96.619%0.19248%0.483CS..Hα-helixtrans-57.9-49.7174.2173.4-104.7000111.9E224 I225 R226 Q230 L231 V232 N240 I243E224-Y228 WeakPolarHBondContact O-CB 3.41Å; E224-Y228 PolarHBondContact O-N 2.72Å; I225-Y228 PolarHBondContact O-N 2.74Å; R226-Y228 VanDerWaalsContact C-N 3.35Å; Y228-Q230 VanDerWaalsContact C-N 3.31Å; Y228-Q230 PolarHBondContact O-N 3.49Å; Y228-L231 WeakPolarHBondContact O-CB 3.5Å; Y228-L231 PolarHBondContact O-N 2.78Å; Y228-L231 VanDerWaalsContact O-N 3.16Å; Y228-V232 HydrophobicContact CD1-CG2 4.38Å; Y228-V232 HydrophobicContact CD2-CG2 4.23Å; Y228-V232 HydrophobicContact CE1-CG2 3.98Å; Y228-V232 HydrophobicContact CE2-CG2 3.81Å; Y228-V232 HydrophobicContact CG-CG2 4.5Å; Y228-V232 VanDerWaalsContact O-CG2 3.32Å; Y228-V232 WeakPolarHBondContact O-CG2 3.39Å; Y228-V232 PolarHBondContact O-N 3.07Å; Y228-N240 PolarHBondContact OH-N 3.02Å; Y228-I243 HydrophobicContact CD1-CG2 4.37Å; Y228-I243 HydrophobicContact CE1-CB 4.42Å; Y228-I243 HydrophobicContact CE1-CG2 3.79Å
229L91.2Very high89Confident71 Ų7194.6 Ų94.637%0.37248%0.475SS..Hα-helixtrans-64.1-34.5178.9-70.6177.9000112.6I225 R226 E227 S233 L247I225-L229 HydrophobicContact CG2-CD1 4.09Å; I225-L229 HydrophobicContact CG2-CG 4.45Å; I225-L229 WeakPolarHBondContact O-CG 3.46Å; I225-L229 PolarHBondContact O-N 3Å; R226-L229 PolarHBondContact O-N 3.21Å; E227-L229 PolarHBondContact O-N 3.39Å; L229-S233 VanDerWaalsContact O-CB 3.31Å; L229-S233 WeakPolarHBondContact O-CB 3.43Å; L229-S233 PolarHBondContact O-N 2.95Å; L229-L247 HydrophobicContact CD2-CD1 4.11Å; L229-L247 HydrophobicContact CG-CD1 4.47Å
230Q93.3Very high88.6Confident97 Ų9793.1 Ų93.145%0.45347%0.468SS..Hα-helixtrans-66.7-39.4173.9-76.2-179.1-20.800112.1R226 E227 Y228 S233 S234R226-Q230 HydrophobicContact CG-CG 4.41Å; R226-Q230 WeakPolarHBondContact O-CB 3.37Å; R226-Q230 VanDerWaalsContact O-CG 3.28Å; R226-Q230 WeakPolarHBondContact O-CG 3.19Å; R226-Q230 PolarHBondContact O-N 3.36Å; E227-Q230 PolarHBondContact O-N 3.11Å; Y228-Q230 VanDerWaalsContact C-N 3.31Å; Y228-Q230 PolarHBondContact O-N 3.49Å; Q230-S233 PolarHBondContact O-N 3.25Å; Q230-S234 WeakPolarHBondContact O-CB 3.46Å; Q230-S234 PolarHBondContact O-N 2.93Å; Q230-S234 PolarHBondContact O-OG 3.26Å
231L91.6Very high88.4Confident54 Ų5493.2 Ų93.228%0.28347%0.472SS..Hα-helixtrans-67.4-40176.7-74.1169.5000112.1E227 Y228 S234 K236 L237E227-L231 HydrophobicContact CG-CD1 4.21Å; E227-L231 WeakPolarHBondContact O-CB 3.39Å; E227-L231 VanDerWaalsContact O-CG 3.3Å; E227-L231 WeakPolarHBondContact O-CG 3.49Å; E227-L231 PolarHBondContact O-N 2.82Å; Y228-L231 WeakPolarHBondContact O-CB 3.5Å; Y228-L231 PolarHBondContact O-N 2.78Å; Y228-L231 VanDerWaalsContact O-N 3.16Å; L231-S234 PolarHBondContact O-N 2.76Å; L231-K236 HydrophobicContact CD2-CD 4.29Å; L231-K236 PolarHBondContact O-N 2.93Å; L231-L237 HydrophobicContact CB-CD1 3.7Å; L231-L237 HydrophobicContact CD1-CD1 3.8Å; L231-L237 HydrophobicContact CD2-CD1 4.3Å; L231-L237 HydrophobicContact CG-CD1 4.15Å
232V90.5Very high88.3Confident19 Ų1993.3 Ų93.312%0.11547%0.467CS..Hα-helixtrans-66.2-43.8174.31730000110.8Y228 S234 D235 V239Y228-V232 HydrophobicContact CD1-CG2 4.38Å; Y228-V232 HydrophobicContact CD2-CG2 4.23Å; Y228-V232 HydrophobicContact CE1-CG2 3.98Å; Y228-V232 HydrophobicContact CE2-CG2 3.81Å; Y228-V232 HydrophobicContact CG-CG2 4.5Å; Y228-V232 VanDerWaalsContact O-CG2 3.32Å; Y228-V232 WeakPolarHBondContact O-CG2 3.39Å; Y228-V232 PolarHBondContact O-N 3.07Å; V232-S234 PolarHBondContact O-N 2.97Å; V232-D235 PolarHBondContact O-N 3.22Å; V232-D235 VanDerWaalsContact O-N 3.12Å; V232-V239 HydrophobicContact CG1-CG2 3.61Å
233S89.8Confident88Confident100 Ų10091.2 Ų91.270%0.69946%0.456SS*.Hα-helixtrans-66.2-20.2176.2-178.40000113.7L229 Q230 D235L229-S233 VanDerWaalsContact O-CB 3.31Å; L229-S233 WeakPolarHBondContact O-CB 3.43Å; L229-S233 PolarHBondContact O-N 2.95Å; Q230-S233 PolarHBondContact O-N 3.25Å; S233-D235 VanDerWaalsContact C-N 3.33Å
234S92Very high87.8Confident73 Ų7388 Ų8851%0.5145%0.447SS..THydrogen-bonded Turntrans-92.58176.8-55.20000112.8Q230 L231 V232 K236Q230-S234 WeakPolarHBondContact O-CB 3.46Å; Q230-S234 PolarHBondContact O-N 2.93Å; Q230-S234 PolarHBondContact O-OG 3.26Å; L231-S234 PolarHBondContact O-N 2.76Å; V232-S234 PolarHBondContact O-N 2.97Å; S234-K236 PolarHBondContact O-N 2.97Å; S234-K236 VanDerWaalsContact O-N 3.11Å
235D82.9Confident87.8Confident153 Ų15389.7 Ų89.782%0.81845%0.45SS*.THydrogen-bonded Turntrans54.524.8-177.8-62.4-33.5000114.9V232 S233V232-D235 PolarHBondContact O-N 3.22Å; V232-D235 VanDerWaalsContact O-N 3.12Å; S233-D235 VanDerWaalsContact C-N 3.33Å
236K85.2Confident87.8Confident164 Ų16491.4 Ų91.471%0.71346%0.457SS*.SBendtrans-84.6-24.6179.8-71.3-175179.8177.60113.5L231 S234L231-K236 HydrophobicContact CD2-CD 4.29Å; L231-K236 PolarHBondContact O-N 2.93Å; S234-K236 PolarHBondContact O-N 2.97Å; S234-K236 VanDerWaalsContact O-N 3.11Å
237L78.3Confident87.7Confident82 Ų8285.9 Ų85.943%0.42944%0.437SS..SBendtrans-128.8142.3-178.4-84125.4000110.2L231L231-L237 HydrophobicContact CB-CD1 3.7Å; L231-L237 HydrophobicContact CD1-CD1 3.8Å; L231-L237 HydrophobicContact CD2-CD1 4.3Å; L231-L237 HydrophobicContact CG-CD1 4.15Å
238P79.7Confident87.7Confident115 Ų11585.4 Ų85.475%0.74744%0.435SS*.  trans-63.9142.5173.427.9-33.7000110.5N240P238-N240 PolarHBondContact O-N 3.16Å
239V81.4Confident87.9Confident61 Ų6187.3 Ų87.337%0.3745%0.448SS..  trans-69.8116.1179.51750000110V232 H241 I244V232-V239 HydrophobicContact CG1-CG2 3.61Å; V239-H241 PolarHBondContact O-N 2.94Å; V239-I244 HydrophobicContact CG1-CD1 3.27Å; V239-I244 HydrophobicContact CG1-CG1 4.25Å
240N83.1Confident87.9Confident64 Ų6488.8 Ų88.834%0.34246%0.455SS..  trans-83.5104.2165.2-170.5-27.7000109.9Y228 P238 R242 I243 I244Y228-N240 PolarHBondContact OH-N 3.02Å; P238-N240 PolarHBondContact O-N 3.16Å; N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 2.99Å; N240-R242 WeakPolarHBondContact OD1-CB 3.41Å; N240-R242 PolarHBondContact OD1-N 3.24Å; N240-I243 HydrophobicContact CB-CB 4.47Å; N240-I243 HydrophobicContact CB-CD1 3.97Å; N240-I243 HydrophobicContact CB-CG1 4.14Å; N240-I243 PolarHBondContact O-N 3.05Å; N240-I244 PolarHBondContact O-N 2.86Å
241H84.8Confident87.7Confident95 Ų9590.8 Ų90.844%0.4446%0.463SS..Hα-helixtrans-58.9-35.2-178.3-59.892.9000113V239 I243 I244 Y245V239-H241 PolarHBondContact O-N 2.94Å; H241-I243 VanDerWaalsContact C-N 3.33Å; H241-I243 PolarHBondContact O-N 2.93Å; H241-I244 PolarHBondContact O-N 3.24Å; H241-Y245 HydrophobicContact CB-CE2 3.93Å; H241-Y245 WeakPolarHBondContact O-CD2 3.48Å; H241-Y245 VanDerWaalsContact O-CG 3.29Å; H241-Y245 PolarHBondContact O-N 3.43Å
242R85.2Confident87.7Confident118 Ų11893.7 Ų93.745%0.44548%0.479SS..Hα-helixtrans-61.6-41.7179.5-175.9175.2173.2-166.8-7.3111.7E160 D173 N240 Q246E160-R242 IonicContact OE1-NH1 3.69Å; E160-R242 PolarHBondContact OE1-NH1 3.26Å; E160-R242 VanDerWaalsContact OE1-NH1 3.09Å; D173-R242 IonicContact OD2-NH1 2.59Å; D173-R242 IonicContact OD2-NH2 3.87Å; N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 2.99Å; N240-R242 WeakPolarHBondContact OD1-CB 3.41Å; N240-R242 PolarHBondContact OD1-N 3.24Å; R242-Q246 WeakPolarHBondContact O-CG 3.4Å; R242-Q246 PolarHBondContact O-N 2.95Å; R242-Q246 VanDerWaalsContact O-N 3.15Å
243I86.4Confident87.8Confident59 Ų5999.6 Ų99.630%0.30351%0.509SS..Hα-helixtrans-66.7-42.1177.7-61.3178.6000110Y228 N240 H241 Y245 Q246 L247Y228-I243 HydrophobicContact CD1-CG2 4.37Å; Y228-I243 HydrophobicContact CE1-CB 4.42Å; Y228-I243 HydrophobicContact CE1-CG2 3.79Å; N240-I243 HydrophobicContact CB-CB 4.47Å; N240-I243 HydrophobicContact CB-CD1 3.97Å; N240-I243 HydrophobicContact CB-CG1 4.14Å; N240-I243 PolarHBondContact O-N 3.05Å; H241-I243 VanDerWaalsContact C-N 3.33Å; H241-I243 PolarHBondContact O-N 2.93Å; I243-Y245 PolarHBondContact O-N 3.34Å; I243-Q246 PolarHBondContact O-N 2.95Å; I243-L247 HydrophobicContact CG2-CD1 4Å; I243-L247 HydrophobicContact CG2-CG 4.32Å; I243-L247 WeakPolarHBondContact O-CG 3.28Å; I243-L247 PolarHBondContact O-N 3.16Å
244I89.6Confident87.6Confident61 Ų61100.6 Ų100.631%0.31351%0.506SS..Hα-helixtrans-63.2-43.4178.9-65.9-171.6000111.5V239 N240 H241 Q246 L247 Q248V239-I244 HydrophobicContact CG1-CD1 3.27Å; V239-I244 HydrophobicContact CG1-CG1 4.25Å; N240-I244 PolarHBondContact O-N 2.86Å; H241-I244 PolarHBondContact O-N 3.24Å; I244-Q246 VanDerWaalsContact C-N 3.33Å; I244-Q246 PolarHBondContact O-N 3.29Å; I244-L247 PolarHBondContact O-N 2.87Å; I244-Q248 WeakPolarHBondContact O-CB 3.47Å; I244-Q248 PolarHBondContact O-N 2.99Å
245Y91.2Very high87.3Confident131 Ų131101.6 Ų101.651%0.51451%0.51SS..Hα-helixtrans-60.8-43.4176.6-62.8-40.6000111.7H241 I243 L247 Q248 D249H241-Y245 HydrophobicContact CB-CE2 3.93Å; H241-Y245 WeakPolarHBondContact O-CD2 3.48Å; H241-Y245 VanDerWaalsContact O-CG 3.29Å; H241-Y245 PolarHBondContact O-N 3.43Å; I243-Y245 PolarHBondContact O-N 3.34Å; Y245-L247 PolarHBondContact O-N 3.25Å; Y245-Q248 WeakPolarHBondContact O-CB 3.44Å; Y245-Q248 PolarHBondContact O-N 2.93Å; Y245-D249 PolarHBondContact O-N 3.03Å
246Q91.2Very high87.1Confident103 Ų10398.9 Ų98.948%0.48150%0.496SS..Hα-helixtrans-63.2-40.7175.5-71.7177.9-13.900112.6R242 I243 I244 Q248 D249 I250R242-Q246 WeakPolarHBondContact O-CG 3.4Å; R242-Q246 PolarHBondContact O-N 2.95Å; R242-Q246 VanDerWaalsContact O-N 3.15Å; I243-Q246 PolarHBondContact O-N 2.95Å; I244-Q246 VanDerWaalsContact C-N 3.33Å; I244-Q246 PolarHBondContact O-N 3.29Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q246-D249 PolarHBondContact O-N 3.43Å; Q246-I250 VanDerWaalsContact O-CG1 3.31Å; Q246-I250 WeakPolarHBondContact O-CG1 3.4Å; Q246-I250 PolarHBondContact O-N 3.04Å
247L91.7Very high86.7Confident18 Ų1896.7 Ų96.79%0.09449%0.492CS..Hα-helixtrans-63.5-40.8175.3-72.1172.9000111.6I225 L229 I243 I244 Y245 D249 I250 F251I225-L247 HydrophobicContact CD1-CD2 3.97Å; I225-L247 HydrophobicContact CG1-CD2 4.19Å; I225-L247 HydrophobicContact CG2-CD1 4.19Å; I225-L247 HydrophobicContact CG2-CD2 3.65Å; L229-L247 HydrophobicContact CD2-CD1 4.11Å; L229-L247 HydrophobicContact CG-CD1 4.47Å; I243-L247 HydrophobicContact CG2-CD1 4Å; I243-L247 HydrophobicContact CG2-CG 4.32Å; I243-L247 WeakPolarHBondContact O-CG 3.28Å; I243-L247 PolarHBondContact O-N 3.16Å; I244-L247 PolarHBondContact O-N 2.87Å; Y245-L247 PolarHBondContact O-N 3.25Å; L247-D249 VanDerWaalsContact C-N 3.35Å; L247-I250 HydrophobicContact CD2-CD1 4.31Å; L247-I250 WeakPolarHBondContact O-CB 3.35Å; L247-I250 PolarHBondContact O-N 2.94Å; L247-F251 WeakPolarHBondContact O-CD2 3.32Å; L247-F251 PolarHBondContact O-N 3.14Å; L247-F251 VanDerWaalsContact O-N 3.16Å
248Q91.3Very high86.8Confident106 Ų106101.6 Ų101.650%0.49551%0.509SS..Hα-helixtrans-62.7-42.6175.5-175.2176.7-4.100111.5I244 Y245 Q246 I250 F251 N252I244-Q248 WeakPolarHBondContact O-CB 3.47Å; I244-Q248 PolarHBondContact O-N 2.99Å; Y245-Q248 WeakPolarHBondContact O-CB 3.44Å; Y245-Q248 PolarHBondContact O-N 2.93Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q248-I250 VanDerWaalsContact C-N 3.32Å; Q248-I250 PolarHBondContact O-N 3.19Å; Q248-F251 PolarHBondContact O-N 2.65Å; Q248-N252 PolarHBondContact O-N 3.11Å; Q248-N252 PolarHBondContact O-ND2 3.15Å
249D94.2Very high87.1Confident90 Ų90100.9 Ų100.948%0.48150%0.499SS..Hα-helixtrans-61.4-39.7174.9-72.1-21000111.8Y245 Q246 L247 F251 N252 L253Y245-D249 PolarHBondContact O-N 3.03Å; Q246-D249 PolarHBondContact O-N 3.43Å; L247-D249 VanDerWaalsContact C-N 3.35Å; D249-F251 VanDerWaalsContact C-N 3.32Å; D249-F251 PolarHBondContact O-N 2.71Å; D249-N252 PolarHBondContact O-N 3.27Å; D249-L253 WeakPolarHBondContact O-CB 3.24Å; D249-L253 VanDerWaalsContact O-CG 3.27Å; D249-L253 WeakPolarHBondContact O-CG 3.35Å; D249-L253 PolarHBondContact O-N 3.43Å
250I91.9Very high87.3Confident101 Ų101105 Ų10552%0.51851%0.514SS..Hα-helixtrans-58.8-43.4175-70.5163.7000111.1Q246 L247 Q248 L253 L254Q246-I250 VanDerWaalsContact O-CG1 3.31Å; Q246-I250 WeakPolarHBondContact O-CG1 3.4Å; Q246-I250 PolarHBondContact O-N 3.04Å; L247-I250 HydrophobicContact CD2-CD1 4.31Å; L247-I250 WeakPolarHBondContact O-CB 3.35Å; L247-I250 PolarHBondContact O-N 2.94Å; Q248-I250 VanDerWaalsContact C-N 3.32Å; Q248-I250 PolarHBondContact O-N 3.19Å; I250-L253 PolarHBondContact O-N 3.11Å; I250-L254 PolarHBondContact O-N 2.75Å
251F89.7Confident87.6Confident140 Ų140107.9 Ų107.961%0.61453%0.529SS*.Hα-helixtrans-68.7-36.4177.4-71.9-63.8000112.7L247 Q248 D249 L253 L254L247-F251 WeakPolarHBondContact O-CD2 3.32Å; L247-F251 PolarHBondContact O-N 3.14Å; L247-F251 VanDerWaalsContact O-N 3.16Å; Q248-F251 PolarHBondContact O-N 2.65Å; D249-F251 VanDerWaalsContact C-N 3.32Å; D249-F251 PolarHBondContact O-N 2.71Å; F251-L253 VanDerWaalsContact C-N 3.31Å; F251-L253 PolarHBondContact O-N 3.33Å; F251-L254 WeakPolarHBondContact O-CB 3.5Å; F251-L254 PolarHBondContact O-N 3.03Å
252N91.5Very high87.7Confident115 Ų115105.8 Ų105.862%0.61552%0.523SS*.Hα-helixtrans-68.9-30176.7-70.5-24.3000112.8Q248 D249 L254Q248-N252 PolarHBondContact O-N 3.11Å; Q248-N252 PolarHBondContact O-ND2 3.15Å; D249-N252 PolarHBondContact O-N 3.27Å; N252-L254 VanDerWaalsContact C-N 3.32Å
253L92.1Very high88Confident142 Ų142102.8 Ų102.874%0.74352%0.518SS*.THydrogen-bonded Turntrans-84.5-3.4179.2-71.6170.3000113.7D249 I250 F251 P255D249-L253 WeakPolarHBondContact O-CB 3.24Å; D249-L253 VanDerWaalsContact O-CG 3.27Å; D249-L253 WeakPolarHBondContact O-CG 3.35Å; D249-L253 PolarHBondContact O-N 3.43Å; I250-L253 PolarHBondContact O-N 3.11Å; F251-L253 VanDerWaalsContact C-N 3.31Å; F251-L253 PolarHBondContact O-N 3.33Å; L253-P255 WeakPolarHBondContact O-CD 3.29Å
254L86.7Confident88.2Confident122 Ų122108 Ų10864%0.63953%0.534SS*.  trans-66.2119.7-179-160.5153.6000109.5I250 F251 N252 D256I250-L254 PolarHBondContact O-N 2.75Å; F251-L254 WeakPolarHBondContact O-CB 3.5Å; F251-L254 PolarHBondContact O-N 3.03Å; N252-L254 VanDerWaalsContact C-N 3.32Å; L254-D256 PolarHBondContact O-N 2.93Å
255P84.3Confident88.3Confident93 Ų93108 Ų10860%0.60454%0.542SS*.  trans-71.8131.2-17427.9-33.8000111.3L253 L257L253-P255 WeakPolarHBondContact O-CD 3.29Å; P255-L257 PolarHBondContact O-N 3.24Å
256D79.8Confident88.3Confident96 Ų96105.9 Ų105.951%0.51354%0.539SS..  trans-78.3103.8169.8-168.9-2000110.4L254 K258L254-D256 PolarHBondContact O-N 2.93Å; D256-K258 PolarHBondContact O-N 2.98Å; D256-K258 WeakPolarHBondContact OD1-CB 3.44Å; D256-K258 PolarHBondContact OD1-N 3.19Å; D256-K258 VanDerWaalsContact OD1-N 3.09Å
257L76.6Confident88.4Confident119 Ų119106.8 Ų106.862%0.62354%0.543SS*.THydrogen-bonded Turntrans-73-2.7-179.2-68.6166.1000113.6P255P255-L257 PolarHBondContact O-N 3.24Å
258K80Confident88.6Confident184 Ų184109.6 Ų109.680%0.856%0.561SS**THydrogen-bonded Turntrans-89.5-7-177.4-63.3-179.5-178.6175.10114.3D256 H260D256-K258 PolarHBondContact O-N 2.98Å; D256-K258 WeakPolarHBondContact OD1-CB 3.44Å; D256-K258 PolarHBondContact OD1-N 3.19Å; D256-K258 VanDerWaalsContact OD1-N 3.09Å; K258-H260 PolarHBondContact O-N 2.86Å
259L85.4Confident88.7Confident100 Ų100108.7 Ų108.752%0.52456%0.559SS.*  trans-64130.1177.6-67.7172.4000110.3D261 T262 V263L259-D261 PolarHBondContact O-N 2.9Å; L259-D261 VanDerWaalsContact O-N 3.16Å; L259-T262 HydrophobicContact CB-CG2 4.17Å; L259-T262 PolarHBondContact O-N 2.81Å; L259-T262 VanDerWaalsContact O-N 3.11Å; L259-T262 PolarHBondContact O-OG1 3.28Å; L259-V263 PolarHBondContact O-N 3.09Å; L259-V263 VanDerWaalsContact O-N 3.16Å
260H86.4Confident88.8Confident149 Ų149107.7 Ų107.769%0.6956%0.556SS**Hα-helixtrans-57.7-34.6-178-179.6-88.4000112.4K258 R264K258-H260 PolarHBondContact O-N 2.86Å; H260-R264 WeakPolarHBondContact O-CB 3.18Å; H260-R264 PolarHBondContact O-N 3.29Å
261D88.9Confident89Confident124 Ų124108 Ų10866%0.66356%0.559SS**Hα-helixtrans-68.4-37.6179.1-67.3-20.3000112.8L259 A265L259-D261 PolarHBondContact O-N 2.9Å; L259-D261 VanDerWaalsContact O-N 3.16Å; D261-A265 VanDerWaalsContact O-CB 3.32Å; D261-A265 WeakPolarHBondContact O-CB 3.48Å; D261-A265 PolarHBondContact O-N 2.86Å
262T87.7Confident89.3Confident50 Ų50105.4 Ų105.431%0.30755%0.552SS.*Hα-helixtrans-70.8-41.8177.358.80000110.7L259 A265 I266L259-T262 HydrophobicContact CB-CG2 4.17Å; L259-T262 PolarHBondContact O-N 2.81Å; L259-T262 VanDerWaalsContact O-N 3.11Å; L259-T262 PolarHBondContact O-OG1 3.28Å; T262-A265 PolarHBondContact O-N 2.94Å; T262-I266 VanDerWaalsContact O-CG1 3.24Å; T262-I266 WeakPolarHBondContact O-CG1 3.49Å; T262-I266 PolarHBondContact O-N 3.2Å
263V91Very high89.5Confident56 Ų56105.2 Ų105.234%0.33955%0.547SS..Hα-helixtrans-60.5-47.5174.8175.10000110.9L259 A265 I266 H267L259-V263 PolarHBondContact O-N 3.09Å; L259-V263 VanDerWaalsContact O-N 3.16Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 3.43Å; V263-I266 PolarHBondContact O-N 3.45Å; V263-H267 WeakPolarHBondContact CG1-NE2 3.46Å; V263-H267 PolarHBondContact O-CD2 3.32Å; V263-H267 PolarHBondContact O-N 3.13Å
264R91.6Very high89.7Confident169 Ų169102.6 Ų102.664%0.63853%0.532SS*.Hα-helixtrans-59.4-44.2175.4-177.5-179.9171-138.3-2.7111.6H260 H267 V268H260-R264 WeakPolarHBondContact O-CB 3.18Å; H260-R264 PolarHBondContact O-N 3.29Å; R264-H267 PolarHBondContact O-N 3.09Å; R264-V268 WeakPolarHBondContact O-CG2 3.31Å; R264-V268 PolarHBondContact O-N 3.49Å
265A91.7Very high90.1Very high59 Ų59101.8 Ų101.849%0.48853%0.528SS..Hα-helixtrans-63.3-42178.100000112.4D261 T262 V263 H267 V268 N269D261-A265 VanDerWaalsContact O-CB 3.32Å; D261-A265 WeakPolarHBondContact O-CB 3.48Å; D261-A265 PolarHBondContact O-N 2.86Å; T262-A265 PolarHBondContact O-N 2.94Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 3.43Å; A265-H267 VanDerWaalsContact C-N 3.35Å; A265-H267 PolarHBondContact O-N 2.94Å; A265-V268 PolarHBondContact O-N 3.22Å; A265-N269 WeakPolarHBondContact O-CB 3.12Å; A265-N269 PolarHBondContact O-N 3.16Å
266I91.7Very high90.6Very high88 Ų88102.2 Ų102.245%0.45153%0.528SS..Hα-helixtrans-62.1-42.9175.6-69.3164.3000110.5T262 V263 N269 T270T262-I266 VanDerWaalsContact O-CG1 3.24Å; T262-I266 WeakPolarHBondContact O-CG1 3.49Å; T262-I266 PolarHBondContact O-N 3.2Å; V263-I266 PolarHBondContact O-N 3.45Å; I266-N269 PolarHBondContact O-N 3.36Å; I266-T270 WeakPolarHBondContact O-CB 3.42Å; I266-T270 PolarHBondContact O-N 3.42Å; I266-T270 PolarHBondContact O-OG1 3Å
267H92.4Very high91.4Very high122 Ų122103.1 Ų103.157%0.56553%0.532SS*.Hα-helixtrans-64.2-43.7177.3-74.6-56.4000112.9V263 R264 A265 T270 N271V263-H267 WeakPolarHBondContact CG1-NE2 3.46Å; V263-H267 PolarHBondContact O-CD2 3.32Å; V263-H267 PolarHBondContact O-N 3.13Å; R264-H267 PolarHBondContact O-N 3.09Å; A265-H267 VanDerWaalsContact C-N 3.35Å; A265-H267 PolarHBondContact O-N 2.94Å; H267-T270 PolarHBondContact O-N 2.96Å; H267-N271 WeakPolarHBondContact O-CB 3.48Å; H267-N271 PolarHBondContact O-N 3.41Å
268V95.1Very high92.3Very high76 Ų76103.6 Ų103.646%0.46153%0.527SS..Hα-helixtrans-59.9-49.7175.9172.50000110.1R264 A265 T270 N271 D272R264-V268 WeakPolarHBondContact O-CG2 3.31Å; R264-V268 PolarHBondContact O-N 3.49Å; A265-V268 PolarHBondContact O-N 3.22Å; V268-T270 VanDerWaalsContact C-N 3.32Å; V268-T270 PolarHBondContact O-N 3.25Å; V268-N271 WeakPolarHBondContact O-CB 3.36Å; V268-N271 PolarHBondContact O-N 2.93Å; V268-D272 PolarHBondContact O-N 2.93Å
269N94.9Very high93.1Very high87 Ų8798.3 Ų98.347%0.46551%0.509SS..Hα-helixtrans-62.5-38.3179.1-172.135000112.6A265 I266 D272 Q273A265-N269 WeakPolarHBondContact O-CB 3.12Å; A265-N269 PolarHBondContact O-N 3.16Å; I266-N269 PolarHBondContact O-N 3.36Å; N269-D272 PolarHBondContact O-N 3.17Å; N269-Q273 WeakPolarHBondContact O-CG 3.4Å; N269-Q273 PolarHBondContact O-N 3.42Å
270T95.9Very high93.6Very high69 Ų6995.5 Ų95.542%0.42350%0.501SS..Hα-helixtrans-65-42.1176.7-56.70000111.2I266 H267 V268 Q273 M274I266-T270 WeakPolarHBondContact O-CB 3.42Å; I266-T270 PolarHBondContact O-N 3.42Å; I266-T270 PolarHBondContact O-OG1 3Å; H267-T270 PolarHBondContact O-N 2.96Å; V268-T270 VanDerWaalsContact C-N 3.32Å; V268-T270 PolarHBondContact O-N 3.25Å; T270-Q273 PolarHBondContact O-N 3.12Å; T270-M274 VanDerWaalsContact O-CB 3.27Å; T270-M274 WeakPolarHBondContact O-CB 3.44Å; T270-M274 PolarHBondContact O-N 3.26Å
271N96.2Very high94Very high107 Ų10790.8 Ų90.857%0.57249%0.487SS*.Hα-helixtrans-63.4-42.6177.3-171.136.9000111.6H267 V268 M274 L275H267-N271 WeakPolarHBondContact O-CB 3.48Å; H267-N271 PolarHBondContact O-N 3.41Å; V268-N271 WeakPolarHBondContact O-CB 3.36Å; V268-N271 PolarHBondContact O-N 2.93Å; N271-M274 PolarHBondContact O-N 3.27Å; N271-L275 PolarHBondContact O-N 3.29Å
272D96.2Very high94.4Very high87 Ų8789.8 Ų89.847%0.46548%0.481SS..Hα-helixtrans-64.1-42.7176.9-67.7-19.3000111.8V268 N269 M274 L275 V276V268-D272 PolarHBondContact O-N 2.93Å; N269-D272 PolarHBondContact O-N 3.17Å; D272-M274 VanDerWaalsContact C-N 3.34Å; D272-M274 PolarHBondContact O-N 3.49Å; D272-L275 WeakPolarHBondContact O-CB 3.34Å; D272-L275 PolarHBondContact O-N 2.9Å; D272-V276 PolarHBondContact O-N 3.46Å
273Q95.3Very high94.8Very high110 Ų11092.4 Ų92.451%0.51449%0.491SS..Hα-helixtrans-63.4-40.4174-73179.1-1.200112.1N269 T270 L275 V276 I277N269-Q273 WeakPolarHBondContact O-CG 3.4Å; N269-Q273 PolarHBondContact O-N 3.42Å; T270-Q273 PolarHBondContact O-N 3.12Å; Q273-L275 VanDerWaalsContact C-N 3.33Å; Q273-L275 PolarHBondContact O-N 3.34Å; Q273-V276 PolarHBondContact O-N 3.09Å; Q273-I277 WeakPolarHBondContact O-CG1 3.3Å; Q273-I277 PolarHBondContact O-N 3.4Å
274M95.8Very high95Very high87 Ų8799 Ų9943%0.42951%0.51SS..Hα-helixtrans-64.1-38.1178.4-171.9170.6-178.700111.8T270 N271 D272 V276 I277 Y278T270-M274 VanDerWaalsContact O-CB 3.27Å; T270-M274 WeakPolarHBondContact O-CB 3.44Å; T270-M274 PolarHBondContact O-N 3.26Å; N271-M274 PolarHBondContact O-N 3.27Å; D272-M274 VanDerWaalsContact C-N 3.34Å; D272-M274 PolarHBondContact O-N 3.49Å; M274-V276 VanDerWaalsContact C-N 3.34Å; M274-V276 PolarHBondContact O-N 3.23Å; M274-I277 PolarHBondContact O-N 3.46Å; M274-Y278 HydrophobicContact CE-CE2 3.47Å; M274-Y278 VanDerWaalsContact CE-CE2 3.47Å; M274-Y278 WeakPolarHBondContact CE-OH 3.41Å; M274-Y278 HydrophobicContact CG-CD2 3.89Å; M274-Y278 HydrophobicContact CG-CE2 3.46Å; M274-Y278 VanDerWaalsContact CG-CE2 3.46Å; M274-Y278 WeakPolarHBondContact O-CD2 3.49Å; M274-Y278 PolarHBondContact O-N 2.82Å; M274-Y278 HydrophobicContact SD-CE2 4.12Å
275L95.1Very high95.3Very high106 Ų10693.9 Ų93.956%0.55550%0.504SS*.Hα-helixtrans-58.3-45.3172.7179.263.4000111.8N271 D272 Q273 I277 Y278 V279N271-L275 PolarHBondContact O-N 3.29Å; D272-L275 WeakPolarHBondContact O-CB 3.34Å; D272-L275 PolarHBondContact O-N 2.9Å; Q273-L275 VanDerWaalsContact C-N 3.33Å; Q273-L275 PolarHBondContact O-N 3.34Å; L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 PolarHBondContact O-N 3.23Å; L275-Y278 PolarHBondContact O-N 3.11Å; L275-V279 HydrophobicContact CD1-CG2 4.45Å; L275-V279 WeakPolarHBondContact O-CG2 3.28Å; L275-V279 PolarHBondContact O-N 2.63Å
276V95.9Very high95.5Very high101 Ų10196.3 Ų96.361%0.61251%0.507SS*.Hα-helixtrans-61.9-41.6177176.80000111.2D272 Q273 M274 Y278 V279 A280D272-V276 PolarHBondContact O-N 3.46Å; Q273-V276 PolarHBondContact O-N 3.09Å; M274-V276 VanDerWaalsContact C-N 3.34Å; M274-V276 PolarHBondContact O-N 3.23Å; V276-Y278 VanDerWaalsContact C-N 3.34Å; V276-Y278 PolarHBondContact O-N 3.16Å; V276-V279 PolarHBondContact O-N 3.5Å; V276-A280 WeakPolarHBondContact O-CB 3.45Å; V276-A280 PolarHBondContact O-N 3.14Å
277I95Very high95.7Very high116 Ų11697.1 Ų97.160%0.59551%0.512SS*.Hα-helixtrans-61.4-42.8176.3-66.3167.1000110.8Q273 M274 L275 A280 A281Q273-I277 WeakPolarHBondContact O-CG1 3.3Å; Q273-I277 PolarHBondContact O-N 3.4Å; M274-I277 PolarHBondContact O-N 3.46Å; L275-I277 VanDerWaalsContact C-N 3.32Å; L275-I277 PolarHBondContact O-N 3.23Å; I277-A280 PolarHBondContact O-N 3.4Å; I277-A281 WeakPolarHBondContact O-CB 3.38Å; I277-A281 PolarHBondContact O-N 3.35Å
278Y96.2Very high95.9Very high129 Ų12994.1 Ų94.151%0.50651%0.508SS..Hα-helixtrans-63.8-46.4177.6-79.1-58000112.8M274 L275 V276 A280 A281 I282M274-Y278 HydrophobicContact CE-CE2 3.47Å; M274-Y278 VanDerWaalsContact CE-CE2 3.47Å; M274-Y278 WeakPolarHBondContact CE-OH 3.41Å; M274-Y278 HydrophobicContact CG-CD2 3.89Å; M274-Y278 HydrophobicContact CG-CE2 3.46Å; M274-Y278 VanDerWaalsContact CG-CE2 3.46Å; M274-Y278 WeakPolarHBondContact O-CD2 3.49Å; M274-Y278 PolarHBondContact O-N 2.82Å; M274-Y278 HydrophobicContact SD-CE2 4.12Å; L275-Y278 PolarHBondContact O-N 3.11Å; V276-Y278 VanDerWaalsContact C-N 3.34Å; V276-Y278 PolarHBondContact O-N 3.16Å; Y278-A280 VanDerWaalsContact C-N 3.32Å; Y278-A280 PolarHBondContact O-N 2.89Å; Y278-A281 PolarHBondContact O-N 2.9Å; Y278-I282 WeakPolarHBondContact O-CG1 3.31Å; Y278-I282 PolarHBondContact O-N 3.23Å
279V96.4Very high96Very high72 Ų7295.3 Ų95.344%0.43651%0.512SS..Hα-helixtrans-61.7-43.1177.9175.80000110.4L275 V276 A281 I282 M283L275-V279 HydrophobicContact CD1-CG2 4.45Å; L275-V279 WeakPolarHBondContact O-CG2 3.28Å; L275-V279 PolarHBondContact O-N 2.63Å; V276-V279 PolarHBondContact O-N 3.5Å; V279-A281 PolarHBondContact O-N 2.59Å; V279-I282 PolarHBondContact O-N 3.02Å; V279-M283 HydrophobicContact CG1-CE 3.84Å; V279-M283 HydrophobicContact CG1-SD 4.49Å; V279-M283 WeakPolarHBondContact O-CG 3.5Å; V279-M283 PolarHBondContact O-N 2.78Å
280A95.8Very high96Very high42 Ų4297.1 Ų97.135%0.34752%0.517SS..Hα-helixtrans-62.3-40.8174.800000112.7V276 I277 Y278 M283 R284V276-A280 WeakPolarHBondContact O-CB 3.45Å; V276-A280 PolarHBondContact O-N 3.14Å; I277-A280 PolarHBondContact O-N 3.4Å; Y278-A280 VanDerWaalsContact C-N 3.32Å; Y278-A280 PolarHBondContact O-N 2.89Å; A280-M283 PolarHBondContact O-N 3.25Å; A280-R284 WeakPolarHBondContact O-CG 3.37Å; A280-R284 PolarHBondContact O-N 3.06Å
281A95.8Very high96Very high49 Ų4998 Ų9841%0.40552%0.519SS..Hα-helixtrans-64.6-41.4177.100000112.2I277 Y278 V279 R284 A285I277-A281 WeakPolarHBondContact O-CB 3.38Å; I277-A281 PolarHBondContact O-N 3.35Å; Y278-A281 PolarHBondContact O-N 2.9Å; V279-A281 PolarHBondContact O-N 2.59Å; A281-R284 PolarHBondContact O-N 3.24Å; A281-A285 PolarHBondContact O-N 2.89Å
282I96.8Very high96Very high104 Ų10498.1 Ų98.153%0.53352%0.519SS..Hα-helixtrans-63.8-46.8175.9-67.3166.6000110.5Y278 V279 R284 A285 I286Y278-I282 WeakPolarHBondContact O-CG1 3.31Å; Y278-I282 PolarHBondContact O-N 3.23Å; V279-I282 PolarHBondContact O-N 3.02Å; I282-R284 VanDerWaalsContact C-N 3.34Å; I282-R284 PolarHBondContact O-N 3.47Å; I282-A285 WeakPolarHBondContact O-CB 3.45Å; I282-A285 PolarHBondContact O-N 2.92Å; I282-A285 VanDerWaalsContact O-N 3.15Å; I282-I286 HydrophobicContact CG2-CD1 3.89Å; I282-I286 HydrophobicContact CG2-CG1 4.49Å; I282-I286 WeakPolarHBondContact O-CG1 3.43Å; I282-I286 PolarHBondContact O-N 3.37Å
283M96.4Very high95.9Very high104 Ų10498.9 Ų98.951%0.51252%0.522SS..Hα-helixtrans-60-43.5176.7-71.6-174.6-65.600111.7V279 A280 A285 I286 L287V279-M283 HydrophobicContact CG1-CE 3.84Å; V279-M283 HydrophobicContact CG1-SD 4.49Å; V279-M283 WeakPolarHBondContact O-CG 3.5Å; V279-M283 PolarHBondContact O-N 2.78Å; A280-M283 PolarHBondContact O-N 3.25Å; M283-A285 VanDerWaalsContact C-N 3.32Å; M283-A285 PolarHBondContact O-N 3.16Å; M283-I286 PolarHBondContact O-N 3.33Å; M283-L287 WeakPolarHBondContact O-CG 3.45Å; M283-L287 PolarHBondContact O-N 2.93Å
284R95.7Very high95.9Very high195 Ų19596.4 Ų96.474%0.73652%0.517SS*.Hα-helixtrans-61.8-37.7174.7-73.7-150.5-63166.9-1.5112.7A280 A281 I282 A288A280-R284 WeakPolarHBondContact O-CG 3.37Å; A280-R284 PolarHBondContact O-N 3.06Å; A281-R284 PolarHBondContact O-N 3.24Å; I282-R284 VanDerWaalsContact C-N 3.34Å; I282-R284 PolarHBondContact O-N 3.47Å; R284-A288 VanDerWaalsContact O-CB 3.28Å; R284-A288 WeakPolarHBondContact O-CB 3.42Å; R284-A288 PolarHBondContact O-N 3.21Å
285A96.6Very high95.8Very high61 Ų6196.9 Ų96.950%0.50452%0.521SS..Hα-helixtrans-66.8-40.2176.200000112.4A281 I282 M283 L289A281-A285 PolarHBondContact O-N 2.89Å; I282-A285 WeakPolarHBondContact O-CB 3.45Å; I282-A285 PolarHBondContact O-N 2.92Å; I282-A285 VanDerWaalsContact O-N 3.15Å; M283-A285 VanDerWaalsContact C-N 3.32Å; M283-A285 PolarHBondContact O-N 3.16Å; A285-L289 WeakPolarHBondContact O-CB 3.49Å; A285-L289 PolarHBondContact O-N 3.16Å
286I96.4Very high95.7Very high111 Ų11199.3 Ų99.357%0.56953%0.527SS*.Hα-helixtrans-65.2-44.4176.4-66.2166.9000110.7I282 M283 L289 H290I282-I286 HydrophobicContact CG2-CD1 3.89Å; I282-I286 HydrophobicContact CG2-CG1 4.49Å; I282-I286 WeakPolarHBondContact O-CG1 3.43Å; I282-I286 PolarHBondContact O-N 3.37Å; M283-I286 PolarHBondContact O-N 3.33Å; I286-L289 PolarHBondContact O-N 3.39Å; I286-H290 PolarHBondContact O-N 3.28Å
287L96.2Very high95.6Very high105 Ų10599.5 Ų99.555%0.5552%0.524SS..Hα-helixtrans-63.1-47.3176.4-70.1173.5000111.5M283 L289 H290 D291M283-L287 WeakPolarHBondContact O-CG 3.45Å; M283-L287 PolarHBondContact O-N 2.93Å; L287-L289 PolarHBondContact O-N 3.49Å; L287-H290 WeakPolarHBondContact O-CB 3.44Å; L287-H290 PolarHBondContact O-N 3.41Å; L287-D291 VanDerWaalsContact O-CG 3.32Å; L287-D291 PolarHBondContact O-N 3.2Å
288A96.8Very high95.4Very high58 Ų5897.1 Ų97.148%0.47952%0.515SS..Hα-helixtrans-60.5-34.4176.700000112.6R284 L292R284-A288 VanDerWaalsContact O-CB 3.28Å; R284-A288 WeakPolarHBondContact O-CB 3.42Å; R284-A288 PolarHBondContact O-N 3.21Å; A288-L292 WeakPolarHBondContact O-CB 3.37Å; A288-L292 PolarHBondContact O-N 3.32Å
289L95.8Very high95.2Very high102 Ų10295.7 Ų95.753%0.53452%0.516SS..Hα-helixtrans-69.6-41.2174.1-174.764.9000111.8A285 I286 L287 L292 I293A285-L289 WeakPolarHBondContact O-CB 3.49Å; A285-L289 PolarHBondContact O-N 3.16Å; I286-L289 PolarHBondContact O-N 3.39Å; L287-L289 PolarHBondContact O-N 3.49Å; L289-L292 PolarHBondContact O-N 3.4Å; L289-I293 HydrophobicContact CG-CD1 4.22Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.31Å; L289-I293 PolarHBondContact O-N 3.25Å
290H96.1Very high94.9Very high125 Ų12599.8 Ų99.858%0.57952%0.524SS*.Hα-helixtrans-61.6-45.8174.8-17573.2000111.4I286 L287 L292 I293 S294I286-H290 PolarHBondContact O-N 3.28Å; L287-H290 WeakPolarHBondContact O-CB 3.44Å; L287-H290 PolarHBondContact O-N 3.41Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 PolarHBondContact O-N 3.23Å; H290-I293 PolarHBondContact O-N 3.33Å; H290-S294 WeakPolarHBondContact O-CB 3.32Å; H290-S294 PolarHBondContact O-N 2.88Å
291D96.1Very high94.5Very high88 Ų88102.9 Ų102.947%0.47153%0.531SS..Hα-helixtrans-61.3-40.8175.9-66.4-18.5000111.2L287 S294 N295L287-D291 VanDerWaalsContact O-CG 3.32Å; L287-D291 PolarHBondContact O-N 3.2Å; D291-S294 PolarHBondContact O-N 3.46Å; D291-N295 VanDerWaalsContact O-CB 3.28Å; D291-N295 WeakPolarHBondContact O-CB 3.07Å; D291-N295 PolarHBondContact O-N 2.99Å; D291-N295 PolarHBondContact O-ND2 3.33Å
292L95.6Very high94.1Very high108 Ų108103.6 Ų103.657%0.56553%0.531SS*.Hα-helixtrans-63.4-42.2175.8179.963.7000112.4A288 L289 H290 K296A288-L292 WeakPolarHBondContact O-CB 3.37Å; A288-L292 PolarHBondContact O-N 3.32Å; L289-L292 PolarHBondContact O-N 3.4Å; H290-L292 VanDerWaalsContact C-N 3.32Å; H290-L292 PolarHBondContact O-N 3.23Å; L292-K296 VanDerWaalsContact O-CB 3.31Å; L292-K296 WeakPolarHBondContact O-CB 3.5Å; L292-K296 PolarHBondContact O-N 3.29Å
293I94.5Very high93.6Very high104 Ų104104.3 Ų104.353%0.53353%0.532SS..Hα-helixtrans-64.4-45.3176.8-68.1164.8000110L289 H290 K296 L297L289-I293 HydrophobicContact CG-CD1 4.22Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.31Å; L289-I293 PolarHBondContact O-N 3.25Å; H290-I293 PolarHBondContact O-N 3.33Å; I293-K296 PolarHBondContact O-N 3.44Å; I293-L297 PolarHBondContact O-N 2.95Å
294S95.1Very high92.8Very high57 Ų57107 Ų10740%0.39954%0.536SS..Hα-helixtrans-58.7-52176.6-170.20000111H290 D291 K296 L297 T298H290-S294 WeakPolarHBondContact O-CB 3.32Å; H290-S294 PolarHBondContact O-N 2.88Å; D291-S294 PolarHBondContact O-N 3.46Å; S294-K296 VanDerWaalsContact C-N 3.3Å; S294-K296 PolarHBondContact O-N 3.15Å; S294-L297 WeakPolarHBondContact O-CB 3.32Å; S294-L297 PolarHBondContact O-N 2.9Å; S294-L297 VanDerWaalsContact O-N 3.11Å; S294-T298 PolarHBondContact O-N 3.48Å; S294-T298 PolarHBondContact O-OG1 3.23Å; S294-T298 VanDerWaalsContact O-OG1 3.09Å
295N93.6Very high92.1Very high97 Ų97102.6 Ų102.652%0.51953%0.527SS..Hα-helixtrans-58.1-40.8177.6-71.3-16.4000112.2D291 N299D291-N295 VanDerWaalsContact O-CB 3.28Å; D291-N295 WeakPolarHBondContact O-CB 3.07Å; D291-N295 PolarHBondContact O-N 2.99Å; D291-N295 PolarHBondContact O-ND2 3.33Å; N295-N299 WeakPolarHBondContact O-CB 3.4Å; N295-N299 PolarHBondContact O-N 3.45Å; N295-N299 PolarHBondContact O-OD1 2.93Å
296K93.8Very high91.1Very high157 Ų157106.7 Ų106.768%0.68354%0.536SS*.Hα-helixtrans-68.7-37.3177.8-171174.6-177.4176.30112.6L292 I293 S294 R300L292-K296 VanDerWaalsContact O-CB 3.31Å; L292-K296 WeakPolarHBondContact O-CB 3.5Å; L292-K296 PolarHBondContact O-N 3.29Å; I293-K296 PolarHBondContact O-N 3.44Å; S294-K296 VanDerWaalsContact C-N 3.3Å; S294-K296 PolarHBondContact O-N 3.15Å; K296-R300 WeakPolarHBondContact O-CB 3.36Å; K296-R300 PolarHBondContact O-N 3.21Å; K296-R300 VanDerWaalsContact O-N 3.07Å
297L92.3Very high89.6Confident105 Ų105109 Ų10955%0.5554%0.544SS..Hα-helixtrans-64.7-48.4175.6-165.494.3000110.3I293 S294 N299 R300 E301I293-L297 PolarHBondContact O-N 2.95Å; S294-L297 WeakPolarHBondContact O-CB 3.32Å; S294-L297 PolarHBondContact O-N 2.9Å; S294-L297 VanDerWaalsContact O-N 3.11Å; L297-N299 PolarHBondContact O-N 3.26Å; L297-R300 PolarHBondContact O-N 3.39Å; L297-E301 WeakPolarHBondContact O-CG 3.27Å; L297-E301 PolarHBondContact O-N 3.39Å
298T92.6Very high87.8Confident67 Ų67107 Ų10741%0.41155%0.549SS..Hα-helixtrans-61.2-41.4177.3-540000112.1S294 R300 E301 T302S294-T298 PolarHBondContact O-N 3.48Å; S294-T298 PolarHBondContact O-OG1 3.23Å; S294-T298 VanDerWaalsContact O-OG1 3.09Å; T298-R300 PolarHBondContact O-N 2.99Å; T298-E301 PolarHBondContact O-N 3.42Å; T298-T302 WeakPolarHBondContact O-CG2 3.39Å; T298-T302 PolarHBondContact O-N 3.41Å; T298-T302 PolarHBondContact O-OG1 3.02Å
299N90.6Very high85.9Confident98 Ų98111.1 Ų111.152%0.52456%0.563SS.*Hα-helixtrans-63.1-41.1175.5-74.21.9000111.9N295 L297 E301 T302 E303N295-N299 WeakPolarHBondContact O-CB 3.4Å; N295-N299 PolarHBondContact O-N 3.45Å; N295-N299 PolarHBondContact O-OD1 2.93Å; L297-N299 PolarHBondContact O-N 3.26Å; N299-E301 VanDerWaalsContact C-N 3.35Å; N299-E301 PolarHBondContact O-N 3.05Å; N299-T302 VanDerWaalsContact CA-OG1 3.26Å; N299-T302 WeakPolarHBondContact CA-OG1 3.25Å; N299-T302 PolarHBondContact O-N 2.93Å; N299-T302 PolarHBondContact O-OG1 3.38Å; N299-E303 WeakPolarHBondContact O-CB 3.31Å; N299-E303 WeakPolarHBondContact O-CG 3.12Å; N299-E303 PolarHBondContact O-N 3.09Å
300R90.1Very high83.7Confident159 Ų159109.7 Ų109.760%0.657%0.572SS**Hα-helixtrans-68.1-34.7177.4-173.1-178.2135.6167.3-2112.5K296 L297 T298 R304K296-R300 WeakPolarHBondContact O-CB 3.36Å; K296-R300 PolarHBondContact O-N 3.21Å; K296-R300 VanDerWaalsContact O-N 3.07Å; L297-R300 PolarHBondContact O-N 3.39Å; T298-R300 PolarHBondContact O-N 2.99Å; R300-R304 VanDerWaalsContact O-CG 3.28Å; R300-R304 WeakPolarHBondContact O-CG 3.48Å; R300-R304 PolarHBondContact O-N 3.11Å
301E88Confident81.1Confident107 Ų107107 Ų10750%0.558%0.578SS.*Hα-helixtrans-70.6-38.1176-73.3177.9174.900112.1L297 T298 N299 R304 N305L297-E301 WeakPolarHBondContact O-CG 3.27Å; L297-E301 PolarHBondContact O-N 3.39Å; T298-E301 PolarHBondContact O-N 3.42Å; N299-E301 VanDerWaalsContact C-N 3.35Å; N299-E301 PolarHBondContact O-N 3.05Å; E301-R304 PolarHBondContact O-N 3.12Å; E301-N305 PolarHBondContact O-N 2.96Å; E301-N305 PolarHBondContact O-ND2 2.67Å
302T87.3Confident78.4Confident64 Ų64109.7 Ų109.739%0.39359%0.593SS.*Hα-helixtrans-66.9-44.9174.844.10000111.8T298 N299 R304 N305 E306T298-T302 WeakPolarHBondContact O-CG2 3.39Å; T298-T302 PolarHBondContact O-N 3.41Å; T298-T302 PolarHBondContact O-OG1 3.02Å; N299-T302 VanDerWaalsContact CA-OG1 3.26Å; N299-T302 WeakPolarHBondContact CA-OG1 3.25Å; N299-T302 PolarHBondContact O-N 2.93Å; N299-T302 PolarHBondContact O-OG1 3.38Å; T302-R304 VanDerWaalsContact C-N 3.33Å; T302-R304 PolarHBondContact O-N 3.37Å; T302-N305 PolarHBondContact O-N 3.3Å; T302-N305 VanDerWaalsContact O-N 3.1Å; T302-E306 WeakPolarHBondContact O-CG 2.95Å; T302-E306 PolarHBondContact O-N 2.88Å
303E85.2Confident75.6Confident119 Ų119110.4 Ų110.456%0.55660%0.602SS**Hα-helixtrans-55.8-45172.9-75.4172.6176.600111.9N299 N305 E306 E307N299-E303 WeakPolarHBondContact O-CB 3.31Å; N299-E303 WeakPolarHBondContact O-CG 3.12Å; N299-E303 PolarHBondContact O-N 3.09Å; E303-N305 VanDerWaalsContact C-N 3.31Å; E303-N305 PolarHBondContact O-N 3.15Å; E303-E306 PolarHBondContact O-N 3.02Å; E303-E307 WeakPolarHBondContact O-CG 3.17Å; E303-E307 PolarHBondContact O-N 3Å
304R81.7Confident72.7Confident160 Ų160114 Ų11460%0.60462%0.616SS**Hα-helixtrans-65.1-33.9177.6-72.9176.588.6-166.46.2113R300 E301 T302 G308R300-R304 VanDerWaalsContact O-CG 3.28Å; R300-R304 WeakPolarHBondContact O-CG 3.48Å; R300-R304 PolarHBondContact O-N 3.11Å; E301-R304 PolarHBondContact O-N 3.12Å; T302-R304 VanDerWaalsContact C-N 3.33Å; T302-R304 PolarHBondContact O-N 3.37Å; R304-G308 PolarHBondContact O-N 3.03Å; R304-G308 VanDerWaalsContact O-N 3.11Å
305N79.9Confident69.7Low103 Ų103116.6 Ų116.655%0.55163%0.634SS**Hα-helixtrans-73-37.6177-69.8-20000111.2E301 T302 E303 G308 L309E301-N305 PolarHBondContact O-N 2.96Å; E301-N305 PolarHBondContact O-ND2 2.67Å; T302-N305 PolarHBondContact O-N 3.3Å; T302-N305 VanDerWaalsContact O-N 3.1Å; E303-N305 VanDerWaalsContact C-N 3.31Å; E303-N305 PolarHBondContact O-N 3.15Å; N305-G308 PolarHBondContact O-N 3.08Å; N305-L309 VanDerWaalsContact O-CD1 3.28Å; N305-L309 WeakPolarHBondContact O-CD1 3.3Å; N305-L309 PolarHBondContact O-N 2.97Å; N305-L309 VanDerWaalsContact O-N 3.12Å
306E75.3Confident66.9Low146 Ų146121 Ų12168%0.68265%0.649SS**Hα-helixtrans-66.8-41.9175.1-70.8-177.9175.100112.1T302 E303 G308 L309 G310T302-E306 WeakPolarHBondContact O-CG 2.95Å; T302-E306 PolarHBondContact O-N 2.88Å; E303-E306 PolarHBondContact O-N 3.02Å; E306-G308 VanDerWaalsContact C-N 3.28Å; E306-G308 PolarHBondContact O-N 3.3Å; E306-L309 PolarHBondContact O-N 3.43Å; E306-G310 PolarHBondContact O-N 2.63Å; E306-G310 VanDerWaalsContact O-N 3.1Å
307E64.7Low64.1Low160 Ų160122.6 Ų122.675%0.74866%0.656SS**Hα-helixtrans-63.7-32.7173.3-72.2-177.316800112.3E303E303-E307 WeakPolarHBondContact O-CG 3.17Å; E303-E307 PolarHBondContact O-N 3Å
308G59.9Low61.5Low64 Ų64123.2 Ų123.266%0.6666%0.663SS**Hα-helixtrans-75.3-23.5177.200000114.9R304 N305 E306R304-G308 PolarHBondContact O-N 3.03Å; R304-G308 VanDerWaalsContact O-N 3.11Å; N305-G308 PolarHBondContact O-N 3.08Å; E306-G308 VanDerWaalsContact C-N 3.28Å; E306-G308 PolarHBondContact O-N 3.3Å
309L56.8Low58.8Low144 Ų144126 Ų12675%0.75468%0.683SS**Hα-helixtrans-97.4-13.6178.7-87125.6000113.5N305 E306 G311N305-L309 VanDerWaalsContact O-CD1 3.28Å; N305-L309 WeakPolarHBondContact O-CD1 3.3Å; N305-L309 PolarHBondContact O-N 2.97Å; N305-L309 VanDerWaalsContact O-N 3.12Å; E306-L309 PolarHBondContact O-N 3.43Å; L309-G311 PolarHBondContact O-N 3.49Å
310G48.3Very low56.2Low72 Ų72128.5 Ų128.574%0.74270%0.695SS**THydrogen-bonded Turntrans-74.92.1178.700000116.5E306E306-G310 PolarHBondContact O-N 2.63Å; E306-G310 VanDerWaalsContact O-N 3.1Å
311G42.1Very low53.7Low68 Ų68123.3 Ų123.370%0.70169%0.691SS**THydrogen-bonded Turntrans-96.4-1.4-175.400000116.8L309L309-G311 PolarHBondContact O-N 3.49Å
312N39Very low51.5Low144 Ų144124.6 Ų124.677%0.7771%0.708SS**SBendtrans-131.9101.1-177.7-101.6-14000112.9
313T37.9Very low48.9Very low123 Ų123127.3 Ų127.376%0.75572%0.724SS**  trans65109.6141.8-190000118.5S315T313-S315 PolarHBondContact O-N 2.89Å
314E31.9Very low46.4Very low181 Ų181128.5 Ų128.585%0.84674%0.735SS**  trans-19110148.3-61.3175.4148.300113.8
315S32.6Very low44.1Very low111 Ų111130.7 Ų130.778%0.77675%0.752SS**  trans170.7121.9145-84.50000112.5T313T313-S315 PolarHBondContact O-N 2.89Å
316K35.8Very low42Very low189 Ų189131.9 Ų131.982%0.82276%0.758SS**  trans93.599.3155.9-62.5171.5179.91730118.9
317K35Very low40Very low191 Ų191132.1 Ų132.183%0.8376%0.764SS**  79.4108.2115.9-75.9-176.9175.5-173.90119.8
318V37.2Very low38.5Very low117 Ų117128.1 Ų128.171%0.70977%0.766SS**  trans80.3122134.9-170.70000117.5I320V318-I320 PolarHBondContact O-N 3.45Å
319P34.6Very low37.3Very low126 Ų126134.6 Ų134.682%0.81878%0.776SS**  trans-77.4122174.632.1-29.5000109.6
320I37.7Very low36.3Very low150 Ų150134 Ų13477%0.76978%0.778SS**  trans-100.4107165.2-61.9173000105.5V318 V323V318-I320 PolarHBondContact O-N 3.45Å; I320-V323 HydrophobicContact CG2-CG2 4.38Å
321G36.4Very low35.8Very low50 Ų50136.2 Ų136.252%0.51578%0.776SS.*PPolyproline II helixtrans-62.6166174.400000112.1V323G321-V323 PolarHBondContact O-N 3.4Å
322P41.3Very low35.4Very low134 Ų134141.5 Ų141.587%0.8778%0.783SS**PPolyproline II helixtrans-62.1116.2-176.826.5-31.2000109.1D324P322-D324 PolarHBondContact O-N 3.45Å
323V33.6Very low35Very low121 Ų121142.5 Ų142.573%0.73379%0.789SS**PPolyproline II helixtrans-75.1116.1174.41750000107.5I320 G321 Q325I320-V323 HydrophobicContact CG2-CG2 4.38Å; G321-V323 PolarHBondContact O-N 3.4Å; V323-Q325 PolarHBondContact O-N 3.25Å
324D31.9Very low34.8Very low144 Ų144140.5 Ų140.577%0.7779%0.792SS**  trans-41.4117.6162.4-76.5-48000110.8P322 N326P322-D324 PolarHBondContact O-N 3.45Å; D324-N326 PolarHBondContact O-N 3.26Å
325Q34.4Very low34.9Very low206 Ų206136.2 Ų136.296%0.96379%0.788SS**  trans-80.178.3159.8-74.4-173.413.300107.9V323V323-Q325 PolarHBondContact O-N 3.25Å
326N35.7Very low35.1Very low129 Ų129140.1 Ų140.169%0.6979%0.791SS**  trans-126.7129.5160.1-143.23.8000108.6D324D324-N326 PolarHBondContact O-N 3.26Å
327N34Very low35.1Very low150 Ų150135.6 Ų135.680%0.80278%0.783SS**  trans73.896.4165.5-68-19.2000120.2
328G31.4Very low35.1Very low76 Ų76134.4 Ų134.478%0.78479%0.786SS**  trans-89.9118.7147.300000111.7
329K36.4Very low35Very low201 Ų201131.7 Ų131.787%0.87478%0.781SS**  trans165.189.4149.5-94.3173.5-178.8-174.60107.8
330V35.7Very low35.2Very low130 Ų130133.9 Ų133.979%0.78879%0.785SS**  73.9103.689.5174.50000113.6
331V36.4Very low35.1Very low119 Ų119133 Ų13372%0.72178%0.782SS**  trans75.2129.2139.4-175.50000114.8
332E35.4Very low34.9Very low180 Ų180135 Ų13584%0.84179%0.788SS**  cis-170.9171.348.1-148.4157.6-162.300112.6
333N29.7Very low34.9Very low165 Ų165133.6 Ų133.688%0.88278%0.781SS**  trans-70154.7-169.7-64.1-59.3000116.8
334G33.7Very low35.2Very low80 Ų80137.9 Ų137.983%0.82579%0.785SS**  trans-179.998.1166.500000115.9
335A34.8Very low35.6Very low92 Ų92139.5 Ų139.576%0.7679%0.785SS**  trans-63.8160.7-177.200000117.4
336K35.9Very low35.8Very low192 Ų192138.7 Ų138.784%0.83578%0.778SS**  trans92.7114.7143.7-78.2169.7-177.3-179.60121.3
337S36.8Very low36.1Very low94 Ų94139.5 Ų139.566%0.65779%0.788SS**  97.7126115.372.80000121.2
338N33.3Very low36.5Very low167 Ų167139.9 Ų139.989%0.89379%0.79SS**  trans66.5137.1143.6-54.6-13.3000117.2
339G35.1Very low37.4Very low60 Ų60149.9 Ų149.962%0.61981%0.812SS**  cis153.216514.600000107.4
340L40.2Very low37.5Very low171 Ų171147.3 Ų147.390%0.89581%0.808SS**  trans71143162.7-68.9139.1000116.5
341D36Very low37.5Very low132 Ų132148.2 Ų148.271%0.70681%0.809SS**  cis-167.7155.7-5.2-163.9-3.9000107.1
342S32.2Very low37.6Very low93 Ų93149.8 Ų149.865%0.6581%0.814SS**  trans-74.9140.2173.258.80000113.4
343S41.2Very low37.7Very low103 Ų103148.1 Ų148.172%0.7281%0.813SS**  trans166.4139.3158.3-85.70000107.8
344R39Very low38.2Very low212 Ų212147 Ų14780%0.881%0.808SS**  cis-172.5144.313.5-107163.7-176.2-173.10107.1
345K39.7Very low38.5Very low178 Ų178151.5 Ų151.577%0.77481%0.807SS**  trans54112.9137.1-66.3-179.9175.9-1780118.4
346K38.6Very low38.8Very low189 Ų189155.7 Ų155.782%0.82281%0.811SS**  58.9114.188-85.4-167.5174.2-1730114.2
347T43.4Very low39Very low145 Ų145152.9 Ų152.989%0.8981%0.809SS**  -164.3119.9122.232.40000110
348D42.8Very low39.2Very low159 Ų159157.8 Ų157.885%0.8582%0.822SS**  trans-66.4133.7167.5-67.5-60.6000111.6
349K49.5Very low39.8Very low285 Ų285157 Ų157100%1.23982%0.815SS**  -166.90124.6-113.2-172.6-177.8-176.20110.9

Retrieved 349 of 349 residues in 399.2 ms (Link to these results)