A0A077Z0L0_TRITR Loading...

LBP

AlphaFold DB , UniProt , Accession A0A077Z0L0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 550 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
1M45.6Very low44.9Very low202 Ų202107.4 Ų107.4100%0.99558%0.58SS**  0-44.90-116.8174.8176.300113.3M3 I4 L5M1-M3 PolarHBondContact O-N 3.38Å; M1-I4 PolarHBondContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 2.91Å
2G41.2Very low44.8Very low53 Ų53105.6 Ų105.655%0.54658%0.58SS.*Hα-helixtrans-59-35.2-176.800000116.3I4 L5 M6G2-I4 PolarHBondContact O-N 3.22Å; G2-L5 PolarHBondContact O-N 2.03Å; G2-M6 PolarHBondContact O-N 2.9Å; G2-M6 VanDerWaalsContact O-N 3.09Å
3M43.6Very low44.4Very low161 Ų161104.2 Ų104.279%0.79357%0.571SS**Hα-helixtrans-68.8-34.1179.9-140.7-160.6-69.900113.1M1 V7M1-M3 PolarHBondContact O-N 3.38Å; M3-V7 WeakPolarHBondContact O-CG2 3.35Å; M3-V7 PolarHBondContact O-N 3.47Å; M3-V7 VanDerWaalsContact O-N 3.13Å
4I48.5Very low44.5Very low125 Ų125101.2 Ų101.264%0.64155%0.55SS**Hα-helixtrans-73.3-36.4179.3-63172.5000110.9M1 G2 S8M1-I4 PolarHBondContact O-N 3.09Å; G2-I4 PolarHBondContact O-N 3.22Å; I4-S8 WeakPolarHBondContact O-CB 2.91Å; I4-S8 PolarHBondContact O-N 3.31Å; I4-S8 PolarHBondContact O-OG 3Å
5L38.9Very low44.6Very low120 Ų12095.9 Ų95.963%0.62853%0.526SS*.Hα-helixtrans-66.7-43.8174.8-83.9157.7000111.5M1 G2 S8 F9M1-L5 PolarHBondContact O-N 2.91Å; G2-L5 PolarHBondContact O-N 2.03Å; L5-S8 PolarHBondContact O-N 3.06Å; L5-F9 VanDerWaalsContact O-CB 3.3Å; L5-F9 WeakPolarHBondContact O-CB 3.42Å; L5-F9 PolarHBondContact O-N 3.05Å
6M41Very low44.7Very low136 Ų13693.6 Ų93.667%0.6752%0.523SS*.Hα-helixtrans-57.7-49173.9-82.3-84.5-132.900111.9G2 S8 F9 V10G2-M6 PolarHBondContact O-N 2.9Å; G2-M6 VanDerWaalsContact O-N 3.09Å; M6-S8 PolarHBondContact O-N 3.15Å; M6-F9 PolarHBondContact O-N 3.31Å; M6-V10 WeakPolarHBondContact O-CB 3.39Å; M6-V10 VanDerWaalsContact O-CG2 3.24Å; M6-V10 WeakPolarHBondContact O-CG2 3.35Å; M6-V10 PolarHBondContact O-N 2.79Å
7V50.5Low45Very low75 Ų7594.6 Ų94.646%0.45553%0.527SS..Hα-helixtrans-62.4-43.4178.8172.90000111.2M3 F9 V10 I11M3-V7 WeakPolarHBondContact O-CG2 3.35Å; M3-V7 PolarHBondContact O-N 3.47Å; M3-V7 VanDerWaalsContact O-N 3.13Å; V7-F9 PolarHBondContact O-N 3.26Å; V7-V10 PolarHBondContact O-N 3.37Å; V7-I11 HydrophobicContact CG1-CD1 3.73Å; V7-I11 HydrophobicContact CG1-CG1 4.46Å; V7-I11 WeakPolarHBondContact O-CB 3.3Å; V7-I11 WeakPolarHBondContact O-CD1 3.41Å; V7-I11 WeakPolarHBondContact O-CG1 3.43Å; V7-I11 PolarHBondContact O-N 3.23Å
8S45.7Very low45.3Very low61 Ų6189.4 Ų89.443%0.42750%0.499SS..Hα-helixtrans-65.2-39.3177.9-58.20000112.3I4 L5 M6 I11 C12I4-S8 WeakPolarHBondContact O-CB 2.91Å; I4-S8 PolarHBondContact O-N 3.31Å; I4-S8 PolarHBondContact O-OG 3Å; L5-S8 PolarHBondContact O-N 3.06Å; M6-S8 PolarHBondContact O-N 3.15Å; S8-I11 PolarHBondContact O-N 2.94Å; S8-C12 WeakPolarHBondContact O-CB 3.23Å; S8-C12 PolarHBondContact O-N 2.75Å; S8-C12 PolarHBondContact O-SG 3.33Å
9F42.6Very low45.6Very low139 Ų13991.2 Ų91.261%0.6150%0.498SS*.Hα-helixtrans-69.2-40.6178.6-161.9-103.1000112L5 M6 V7 C12 L13L5-F9 VanDerWaalsContact O-CB 3.3Å; L5-F9 WeakPolarHBondContact O-CB 3.42Å; L5-F9 PolarHBondContact O-N 3.05Å; M6-F9 PolarHBondContact O-N 3.31Å; V7-F9 PolarHBondContact O-N 3.26Å; F9-C12 PolarHBondContact O-N 3.49Å; F9-L13 HydrophobicContact CD1-CD1 3.61Å; F9-L13 HydrophobicContact CD1-CG 4.29Å; F9-L13 HydrophobicContact CE1-CD1 3.51Å; F9-L13 HydrophobicContact CE1-CG 4.16Å; F9-L13 HydrophobicContact CZ-CD1 4.46Å; F9-L13 WeakPolarHBondContact O-CG 3.02Å; F9-L13 PolarHBondContact O-N 2.73Å
10V49.2Very low46.4Very low57 Ų5793.8 Ų93.835%0.34551%0.506SS..Hα-helixtrans-64.2-42.2174.1173.30000111M6 V7 L13 H14M6-V10 WeakPolarHBondContact O-CB 3.39Å; M6-V10 VanDerWaalsContact O-CG2 3.24Å; M6-V10 WeakPolarHBondContact O-CG2 3.35Å; M6-V10 PolarHBondContact O-N 2.79Å; V7-V10 PolarHBondContact O-N 3.37Å; V10-L13 PolarHBondContact O-N 3.4Å; V10-H14 WeakPolarHBondContact O-CB 3.49Å; V10-H14 PolarHBondContact O-N 3.33Å; V10-H14 PolarHBondContact O-ND1 2.84Å
11I47.5Very low47.6Very low52 Ų5293.6 Ų93.627%0.26750%0.498SS..Hα-helixtrans-61.5-42.8173.9-68.1165.1000110.8V7 S8 A15V7-I11 HydrophobicContact CG1-CD1 3.73Å; V7-I11 HydrophobicContact CG1-CG1 4.46Å; V7-I11 WeakPolarHBondContact O-CB 3.3Å; V7-I11 WeakPolarHBondContact O-CD1 3.41Å; V7-I11 WeakPolarHBondContact O-CG1 3.43Å; V7-I11 PolarHBondContact O-N 3.23Å; S8-I11 PolarHBondContact O-N 2.94Å; I11-A15 VanDerWaalsContact O-CB 3.22Å; I11-A15 WeakPolarHBondContact O-CB 3.31Å; I11-A15 PolarHBondContact O-N 2.89Å
12C42.9Very low49.1Very low86 Ų8690 Ų9058%0.58148%0.477SS*.Hα-helixtrans-64.9-42.5177-80.50000112.9S8 F9 A15 A16S8-C12 WeakPolarHBondContact O-CB 3.23Å; S8-C12 PolarHBondContact O-N 2.75Å; S8-C12 PolarHBondContact O-SG 3.33Å; F9-C12 PolarHBondContact O-N 3.49Å; C12-A15 PolarHBondContact O-N 3.01Å; C12-A16 PolarHBondContact O-N 3.33Å
13L40.2Very low50.7Low88 Ų8892.3 Ų92.346%0.46148%0.482SS..Hα-helixtrans-65.2-43.9176.1-77.9167.9000111.8F9 V10 A15 A16 D17F9-L13 HydrophobicContact CD1-CD1 3.61Å; F9-L13 HydrophobicContact CD1-CG 4.29Å; F9-L13 HydrophobicContact CE1-CD1 3.51Å; F9-L13 HydrophobicContact CE1-CG 4.16Å; F9-L13 HydrophobicContact CZ-CD1 4.46Å; F9-L13 WeakPolarHBondContact O-CG 3.02Å; F9-L13 PolarHBondContact O-N 2.73Å; V10-L13 PolarHBondContact O-N 3.4Å; L13-A15 VanDerWaalsContact C-N 3.29Å; L13-A15 PolarHBondContact O-N 2.87Å; L13-A16 PolarHBondContact O-N 3.34Å; L13-D17 PolarHBondContact O-N 3.4Å
14H45.9Very low52.4Low62 Ų6286.3 Ų86.329%0.28746%0.456SS..Hα-helixtrans-65.9-34175.9-75.359.3000111.7V10 A18 T433V10-H14 WeakPolarHBondContact O-CB 3.49Å; V10-H14 PolarHBondContact O-N 3.33Å; V10-H14 PolarHBondContact O-ND1 2.84Å; H14-A18 WeakPolarHBondContact O-CB 3.46Å; H14-A18 PolarHBondContact O-N 2.88Å; H14-T433 HydrophobicContact CB-CG2 4.49Å
15A46.3Very low53.2Low22 Ų2287.7 Ų87.718%0.18246%0.464CS..Hα-helixtrans-67.1-38.7173.900000112.8I11 C12 L13 Y19 M430 T433I11-A15 VanDerWaalsContact O-CB 3.22Å; I11-A15 WeakPolarHBondContact O-CB 3.31Å; I11-A15 PolarHBondContact O-N 2.89Å; C12-A15 PolarHBondContact O-N 3.01Å; L13-A15 VanDerWaalsContact C-N 3.29Å; L13-A15 PolarHBondContact O-N 2.87Å; A15-Y19 PolarHBondContact O-N 3.1Å; A15-M430 HydrophobicContact CB-CE 3.63Å; A15-T433 HydrophobicContact CB-CG2 4.29Å
16A46.3Very low55Low58 Ų5883.4 Ų83.448%0.47944%0.441SS..Hα-helixtrans-67.6-47.1177.400000111.7C12 L13 A18 Y19C12-A16 PolarHBondContact O-N 3.33Å; L13-A16 PolarHBondContact O-N 3.34Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.01Å; A16-Y19 PolarHBondContact O-N 3.11Å
17D48.6Very low56.2Low112 Ų11281.1 Ų81.160%0.59943%0.432SS*.Hα-helixtrans-65.2-35.6176.5-81.7-11.8000112.3L13 Y19L13-D17 PolarHBondContact O-N 3.4Å; D17-Y19 PolarHBondContact O-N 3.07Å
18A50.2Low56.9Low1 Ų180.7 Ų80.71%0.00844%0.443CS..Hα-helixtrans-69.2-17.8176.100000113.6H14 A16 T418H14-A18 WeakPolarHBondContact O-CB 3.46Å; H14-A18 PolarHBondContact O-N 2.88Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.01Å; A18-T418 HydrophobicContact CB-CG2 3.9Å
19Y52.2Low58.4Low123 Ų12381.3 Ų81.348%0.48245%0.447SS..Hα-helixtrans-88.9-18.8-177.1-155.4-99.5000113.8A15 A16 D17 R21 R250A15-Y19 PolarHBondContact O-N 3.1Å; A16-Y19 PolarHBondContact O-N 3.11Å; D17-Y19 PolarHBondContact O-N 3.07Å; Y19-R21 PolarHBondContact O-N 3.35Å; Y19-R250 PolarHBondContact O-NH2 2.96Å
20Q60.6Low60.6Low143 Ų14375.7 Ų75.767%0.66843%0.428SS*.SBendtrans-79.5120.9178.5-73.3-170.3-3.200111.6K22Q20-K22 PolarHBondContact O-N 2.9Å
21R71.2Confident62.7Low90 Ų9073.7 Ų73.734%0.3442%0.419SS..PPolyproline II helixtrans-67.4122.6168.1-77.8-168.7-172.61695.2108.4Y19 Y343 V344 D346Y19-R21 PolarHBondContact O-N 3.35Å; R21-Y343 WeakPolarHBondContact CB-OH 3.5Å; R21-Y343 HydrophobicContact CG-CE2 4.45Å; R21-Y343 WeakPolarHBondContact CG-OH 3.12Å; R21-V344 PolarHBondContact NH1-O 2.91Å; R21-D346 IonicContact CZ-OD1 3.07Å; R21-D346 IonicContact NH2-OD1 3Å; R21-D346 PolarHBondContact NH2-OD1 3.2Å; R21-D346 IonicContact NH2-OD2 3.91Å; R21-D346 PolarHBondContact NH2-OD2 3.13Å; R21-D346 VanDerWaalsContact NH2-OD2 3.1Å
22K77.8Confident64.8Low127 Ų12775.2 Ų75.255%0.55243%0.432SS*.PPolyproline II helixtrans-76.1149.8169.4-67.9-172.7179.4-174.70110Q20 Y343 Y398Q20-K22 PolarHBondContact O-N 2.9Å; K22-Y343 PolarHBondContact O-OH 3.02Å; K22-Y398 HydrophobicContact CD-CD2 4.27Å; K22-Y398 HydrophobicContact CD-CE2 4.36Å; K22-Y398 PolarHBondContact N-O 3.39Å
23P75.1Confident67.2Low100 Ų10079.5 Ų79.565%0.64944%0.436SS*.PPolyproline II helixtrans-60.2149.5173.726-33.7000110.4L25 T399P23-L25 PolarHBondContact O-N 3.21Å; P23-T399 PolarHBondContact O-OG1 2.96Å
24C78.5Confident69.9Low35 Ų3576.7 Ų76.724%0.23642%0.422CS..  trans-73.3109.2175.7-52.80000107.7L26 Y340 C400C24-L26 PolarHBondContact O-N 3.14Å; C24-L26 VanDerWaalsContact O-N 3.1Å; C24-Y340 HydrophobicContact CB-CD2 4.2Å; C24-Y340 HydrophobicContact CB-CE2 4.27Å; C24-Y340 VanDerWaalsContact SG-CD2 3.55Å; C24-Y340 VanDerWaalsContact SG-CE2 3.53Å; C24-C400 HydrophobicContact CB-CB 3.89Å; C24-C400 WeakPolarHBondContact SG-CB 3.37Å
25L67Low72.2Confident155 Ų15573.8 Ų73.881%0.81241%0.408SS*.  trans-84.670.7172.1-65.1172.1000108.6P23P23-L25 PolarHBondContact O-N 3.21Å
26L74.8Confident74.6Confident29 Ų2972.8 Ų72.815%0.15240%0.4CS..  trans-92.4141.1167.6-69.4169.7000108C24 G28 F310 N336 V402C24-L26 PolarHBondContact O-N 3.14Å; C24-L26 VanDerWaalsContact O-N 3.1Å; L26-G28 PolarHBondContact O-N 2.96Å; L26-F310 HydrophobicContact CB-CD1 4.31Å; L26-F310 HydrophobicContact CB-CG 4.27Å; L26-F310 HydrophobicContact CD1-CD1 3.57Å; L26-F310 HydrophobicContact CD1-CD2 4.25Å; L26-F310 HydrophobicContact CD1-CE1 3.17Å; L26-F310 HydrophobicContact CD1-CE2 3.91Å; L26-F310 HydrophobicContact CD1-CG 4.1Å; L26-F310 HydrophobicContact CD1-CZ 3.36Å; L26-N336 HydrophobicContact CD2-CB 4.4Å; L26-V402 HydrophobicContact CD2-CB 4.37Å; L26-V402 HydrophobicContact CD2-CG1 3.87Å; L26-V402 HydrophobicContact CD2-CG2 3.74Å
27D68.1Low77Confident89 Ų8970.5 Ų70.548%0.47638%0.379SS..  trans-58.7128.3-176.6-170.7-8000111S29 K313D27-S29 VanDerWaalsContact C-N 3.33Å; D27-S29 WeakPolarHBondContact OD1-CB 3.39Å; D27-S29 PolarHBondContact OD1-N 3.12Å; D27-S29 PolarHBondContact OD1-OG 3.27Å; D27-K313 WeakPolarHBondContact OD2-CE 3.45Å; D27-K313 IonicContact OD2-NZ 2.92Å; D27-K313 PolarHBondContact OD2-NZ 2.76Å
28G65.2Low79.3Confident66 Ų6665.2 Ų65.268%0.6835%0.351SS*.  trans-84.8-1-178.400000114.2L26 G30L26-G28 PolarHBondContact O-N 2.96Å; G28-G30 PolarHBondContact O-N 3.22Å
29S76.5Confident81.5Confident74 Ų7467.3 Ų67.352%0.51736%0.362SS..  trans-70.65-174.281.70000115.6D27 K313D27-S29 VanDerWaalsContact C-N 3.33Å; D27-S29 WeakPolarHBondContact OD1-CB 3.39Å; D27-S29 PolarHBondContact OD1-N 3.12Å; D27-S29 PolarHBondContact OD1-OG 3.27Å; S29-K313 WeakPolarHBondContact OG-CE 3.2Å
30G89Confident83.6Confident20 Ų2061.5 Ų61.521%0.20634%0.339CS..  trans-81.6178-178.600000114.1G28 P312G28-G30 PolarHBondContact O-N 3.22Å; G30-P312 CarbonylContact C-O 3.58Å; G30-P312 WeakPolarHBondContact CA-O 3.4Å
31G92.9Very high85.3Confident15 Ų1556 Ų5616%0.15532%0.316CS..  trans-141.3148.1178.800000112.8R33 N34 P312G31-R33 PolarHBondContact O-N 3.09Å; G31-R33 VanDerWaalsContact O-N 3.16Å; G31-N34 PolarHBondContact N-ND2 3.22Å; G31-N34 WeakPolarHBondContact O-CB 3.45Å; G31-N34 PolarHBondContact O-N 2.97Å; G31-N34 VanDerWaalsContact O-N 3.07Å; G31-P312 PolarHBondContact N-O 2.96Å
32P91.4Very high86.4Confident85 Ų8552.1 Ų52.155%0.55230%0.302SS*.THydrogen-bonded Turntrans-65.8-19.3-175.126.4-35.6000114.2Y311P32-Y311 HydrophobicContact CB-CD1 3.91Å; P32-Y311 HydrophobicContact CB-CE1 3.71Å
33R93.9Very high87.2Confident175 Ų17549.1 Ų49.166%0.6629%0.292SS*.THydrogen-bonded Turntrans-96.3-1.8177-68.3-172.5175.1-176.8-1.8113.8G31 V278G31-R33 PolarHBondContact O-N 3.09Å; G31-R33 VanDerWaalsContact O-N 3.16Å; R33-V278 WeakPolarHBondContact O-CG2 3.28Å
34N95.8Very high88.2Confident30 Ų3047.6 Ų47.616%0.1628%0.278CS..SBendtrans-74.5140.8173.3-68.7-21.2000109G31 P312 P314G31-N34 PolarHBondContact N-ND2 3.22Å; G31-N34 WeakPolarHBondContact O-CB 3.45Å; G31-N34 PolarHBondContact O-N 2.97Å; G31-N34 VanDerWaalsContact O-N 3.07Å; N34-P312 HydrophobicContact CB-CB 4.1Å; N34-P312 HydrophobicContact CB-CG 3.88Å; N34-P312 VanDerWaalsContact CB-O 3.25Å; N34-P312 WeakPolarHBondContact CB-O 3.39Å; N34-P312 PolarHBondContact ND2-O 2.97Å; N34-P312 WeakPolarHBondContact O-CG 3.48Å; N34-P314 WeakPolarHBondContact ND2-CD 3.35Å
35P96.1Very high89Confident1 Ų146.3 Ų46.31%0.00627%0.271CS..  trans-74.7136.1176.327.8-31.4000110.9I37 V278 P295 L296 M315P35-I37 WeakPolarHBondContact CB-O 3.26Å; P35-V278 HydrophobicContact CB-CG2 4.42Å; P35-P295 HydrophobicContact CB-CB 3.8Å; P35-P295 HydrophobicContact CG-CB 4.16Å; P35-L296 CarbonylContact C-O 3.58Å; P35-L296 VanDerWaalsContact CA-O 3.31Å; P35-L296 WeakPolarHBondContact CA-O 3.44Å; P35-M315 HydrophobicContact CG-CB 4.28Å; P35-M315 HydrophobicContact CG-SD 4.44Å
36G96.2Very high90.4Very high0 Ų039.2 Ų39.20%023%0.234CC..SBendtrans-81.1-30.7161.600000111.6L296 N297 S331 T334G36-L296 PolarHBondContact N-O 2.71Å; G36-N297 WeakPolarHBondContact CA-O 3.32Å; G36-N297 PolarHBondContact N-O 2.81Å; G36-S331 VanDerWaalsContact CA-OG 3.29Å; G36-S331 WeakPolarHBondContact CA-OG 3.44Å; G36-S331 VanDerWaalsContact O-CB 3.28Å; G36-S331 WeakPolarHBondContact O-CB 3.5Å; G36-S331 PolarHBondContact O-N 2.96Å; G36-S331 PolarHBondContact O-OG 3.3Å; G36-T334 PolarHBondContact O-OG1 3.24Å; G36-T334 VanDerWaalsContact O-OG1 3.12Å
37I96.9Very high91.3Very high10 Ų1041.4 Ų41.45%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-130.6137.5173.7-67.4173.7000108.6P35 L273 L275 L296 V328 L329 I330 T334P35-I37 WeakPolarHBondContact CB-O 3.26Å; I37-L273 HydrophobicContact CD1-CD1 3.91Å; I37-L273 HydrophobicContact CD1-CD2 3.82Å; I37-L273 HydrophobicContact CD1-CG 4.28Å; I37-L275 HydrophobicContact CD1-CD2 4.3Å; I37-L296 HydrophobicContact CB-CB 4.21Å; I37-L296 HydrophobicContact CG2-CD1 4.24Å; I37-L296 PolarHBondContact N-O 3.16Å; I37-L296 VanDerWaalsContact N-O 3.14Å; I37-L296 CarbonylContact O-C 3.53Å; I37-L296 WeakPolarHBondContact O-CA 3.35Å; I37-L296 WeakPolarHBondContact O-CB 3.34Å; I37-L296 PolarHBondContact O-N 2.92Å; I37-V328 HydrophobicContact CG2-CG1 3.72Å; I37-L329 CarbonylContact C-O 3.54Å; I37-L329 VanDerWaalsContact CA-O 3.26Å; I37-L329 WeakPolarHBondContact CA-O 3.45Å; I37-I330 HydrophobicContact CG1-CG1 4.37Å; I37-I330 HydrophobicContact CG1-CG2 4.41Å; I37-T334 HydrophobicContact CD1-CG2 4.29Å; I37-T334 HydrophobicContact CG1-CG2 4.49Å
38A96.7Very high92.6Very high1 Ų139 Ų391%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-117.8128168.100000110.3L40 E293 M315 L329A38-L40 HydrophobicContact CB-CD2 3.8Å; A38-E293 HydrophobicContact CB-CG 4.07Å; A38-M315 HydrophobicContact CB-CE 4.49Å; A38-M315 HydrophobicContact CB-SD 3.61Å; A38-L329 HydrophobicContact CB-CB 4.36Å; A38-L329 PolarHBondContact N-O 2.9Å; A38-L329 PolarHBondContact O-N 3.33Å
39L95.7Very high94Very high45 Ų4538.6 Ų38.624%0.23621%0.212CC..EExtended strand (participates in β ladder)trans-92.1122.4170.6-170.370.5000108.4I294 L326 V328L39-I294 HydrophobicContact CB-CB 4.16Å; L39-I294 HydrophobicContact CD2-CD1 4.33Å; L39-I294 PolarHBondContact N-O 3.05Å; L39-I294 PolarHBondContact O-N 3.28Å; L39-L326 HydrophobicContact CD1-CD1 3.51Å; L39-L326 HydrophobicContact CD1-CD2 3.91Å; L39-L326 HydrophobicContact CD1-CG 3.83Å; L39-L326 HydrophobicContact CD2-CD1 4.19Å; L39-L326 HydrophobicContact CG-CD1 3.67Å; L39-V328 HydrophobicContact CD1-CG2 3.83Å
40L96.1Very high94.8Very high2 Ų235.7 Ų35.71%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-114.1111.3-175.5-36.9178.5000109.4A38 Y291 L292 E293 P318 L321 L326 Y327 L519A38-L40 HydrophobicContact CB-CD2 3.8Å; L40-Y291 HydrophobicContact CB-CD2 3.9Å; L40-Y291 HydrophobicContact CB-CG 4.4Å; L40-Y291 HydrophobicContact CD1-CD2 4.41Å; L40-Y291 HydrophobicContact CD1-CE2 4.33Å; L40-Y291 HydrophobicContact CD2-CD2 3.89Å; L40-Y291 HydrophobicContact CD2-CE2 3.77Å; L40-Y291 HydrophobicContact CG-CD2 4.29Å; L40-Y291 HydrophobicContact CG-CE2 4.44Å; L40-L292 CarbonylContact C-O 3.45Å; L40-L292 WeakPolarHBondContact CA-O 3.35Å; L40-E293 HydrophobicContact CD2-CB 4.19Å; L40-E293 HydrophobicContact CD2-CG 3.89Å; L40-P318 HydrophobicContact CD1-CG 3.89Å; L40-L321 HydrophobicContact CD1-CD1 4.49Å; L40-L321 HydrophobicContact CD1-CD2 4.11Å; L40-L326 WeakPolarHBondContact O-CA 3.32Å; L40-Y327 PolarHBondContact N-O 3.31Å; L40-Y327 PolarHBondContact O-N 2.87Å; L40-L519 HydrophobicContact CD1-CD1 4.07Å
41V96Very high95.1Very high28 Ų2842.9 Ų42.917%0.1721%0.211CC..EExtended strand (participates in β ladder)trans-96.3123.4176.7-171.80000108.9L46 Y291 L292 L326V41-L46 HydrophobicContact CG1-CD2 3.75Å; V41-L46 HydrophobicContact CG1-CG 4.16Å; V41-Y291 CarbonylContact O-C 3.44Å; V41-Y291 WeakPolarHBondContact O-CA 3.22Å; V41-Y291 WeakPolarHBondContact O-CB 3.5Å; V41-L292 HydrophobicContact CB-CB 4.22Å; V41-L292 PolarHBondContact N-O 3.49Å; V41-L292 PolarHBondContact O-N 3.42Å; V41-L326 HydrophobicContact CG2-CD1 3.92Å
42T95.6Very high95Very high8 Ų843.1 Ų43.15%0.04921%0.21CC..EExtended strand (participates in β ladder)trans-93.9165.5-177.666.10000112N44 G45 L46 L321 H324 H325 Y327T42-N44 VanDerWaalsContact C-N 3.28Å; T42-N44 PolarHBondContact O-N 2.72Å; T42-G45 WeakPolarHBondContact O-CA 3.44Å; T42-G45 PolarHBondContact O-N 3.13Å; T42-G45 PolarHBondContact OG1-N 2.86Å; T42-L46 WeakPolarHBondContact O-CG 3.44Å; T42-L46 PolarHBondContact O-N 3.38Å; T42-L321 HydrophobicContact CG2-CD1 4.44Å; T42-H324 WeakPolarHBondContact CG2-O 3.11Å; T42-H324 PolarHBondContact OG1-O 3.33Å; T42-H325 PolarHBondContact N-O 3.33Å; T42-H325 PolarHBondContact OG1-O 3.2Å; T42-Y327 HydrophobicContact CG2-CD2 3.8Å; T42-Y327 HydrophobicContact CG2-CE2 3.63Å
43N94.7Very high95Very high63 Ų6340.8 Ų40.834%0.33719%0.192SC..Hα-helixtrans-53-44.8170.4-71.9-27.2000112.1G45 L46 D47 L99N43-G45 PolarHBondContact O-N 3.46Å; N43-L46 CarbonylContact O-C 3.5Å; N43-L46 WeakPolarHBondContact O-CA 3.27Å; N43-L46 WeakPolarHBondContact O-CB 3.46Å; N43-L46 PolarHBondContact O-N 3.1Å; N43-D47 VanDerWaalsContact O-CG 3.31Å; N43-D47 PolarHBondContact O-N 2.88Å; N43-L99 VanDerWaalsContact OD1-CD1 3.26Å; N43-L99 WeakPolarHBondContact OD1-CD1 3.35Å
44N94.7Very high94.9Very high68 Ų6833.5 Ų33.536%0.36417%0.168SC..Hα-helixtrans-59.1-36.1177-67.80.6000112.4T42 Y48 S323T42-N44 VanDerWaalsContact C-N 3.28Å; T42-N44 PolarHBondContact O-N 2.72Å; N44-Y48 WeakPolarHBondContact O-CB 3.33Å; N44-Y48 PolarHBondContact O-N 3.29Å; N44-S323 WeakPolarHBondContact ND2-CA 3.33Å; N44-S323 VanDerWaalsContact ND2-CB 3.28Å; N44-S323 WeakPolarHBondContact ND2-CB 3.36Å; N44-S323 PolarHBondContact ND2-O 2.87Å
45G95.5Very high94.8Very high8 Ų835.9 Ų35.98%0.08219%0.185CC..Hα-helixtrans-66.1-40.517400000112.9T42 N43 L49 H325T42-G45 WeakPolarHBondContact O-CA 3.44Å; T42-G45 PolarHBondContact O-N 3.13Å; T42-G45 PolarHBondContact OG1-N 2.86Å; N43-G45 PolarHBondContact O-N 3.46Å; G45-L49 WeakPolarHBondContact O-CB 3.14Å; G45-L49 PolarHBondContact O-N 3.3Å; G45-H325 WeakPolarHBondContact CA-O 3.26Å
46L96Very high94.4Very high6 Ų636.4 Ų36.43%0.03119%0.188CC..Hα-helixtrans-69.3-41.5176.4-60.1177.3000112.1V41 T42 N43 Y48 L49 M50 L97 L99 L107V41-L46 HydrophobicContact CG1-CD2 3.75Å; V41-L46 HydrophobicContact CG1-CG 4.16Å; T42-L46 WeakPolarHBondContact O-CG 3.44Å; T42-L46 PolarHBondContact O-N 3.38Å; N43-L46 CarbonylContact O-C 3.5Å; N43-L46 WeakPolarHBondContact O-CA 3.27Å; N43-L46 WeakPolarHBondContact O-CB 3.46Å; N43-L46 PolarHBondContact O-N 3.1Å; L46-Y48 VanDerWaalsContact C-N 3.32Å; L46-Y48 PolarHBondContact O-N 3.46Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.87Å; L46-M50 WeakPolarHBondContact O-CG 3.44Å; L46-M50 PolarHBondContact O-N 2.87Å; L46-L97 HydrophobicContact CB-CB 4.41Å; L46-L97 HydrophobicContact CB-CD2 4.35Å; L46-L97 HydrophobicContact CB-CG 4.36Å; L46-L97 WeakPolarHBondContact CB-O 3.4Å; L46-L97 HydrophobicContact CD2-CD2 3.79Å; L46-L97 HydrophobicContact CD2-CG 4.24Å; L46-L99 HydrophobicContact CD1-CD1 4.47Å; L46-L99 HydrophobicContact CD1-CD2 3.8Å; L46-L99 HydrophobicContact CD1-CG 3.68Å; L46-L107 HydrophobicContact CD1-CD2 3.55Å; L46-L107 HydrophobicContact CD2-CD2 3.85Å; L46-L107 HydrophobicContact CG-CD2 4.37Å
47D95.4Very high94Very high76 Ų7638.6 Ų38.641%0.40620%0.199SC..Hα-helixtrans-62.2-42.2175.5-66.5-24.4000111.1N43 M50 R51N43-D47 VanDerWaalsContact O-CG 3.31Å; N43-D47 PolarHBondContact O-N 2.88Å; D47-M50 PolarHBondContact O-N 2.82Å; D47-R51 WeakPolarHBondContact O-CB 3.43Å; D47-R51 PolarHBondContact O-N 2.87Å
48Y95.1Very high93.8Very high38 Ų3839.8 Ų39.815%0.14921%0.206CC..Hα-helixtrans-64.5-43.4173.8175.8-109.8000111.9N44 L46 M50 R51 V52 H325 L524 V525 L526N44-Y48 WeakPolarHBondContact O-CB 3.33Å; N44-Y48 PolarHBondContact O-N 3.29Å; L46-Y48 VanDerWaalsContact C-N 3.32Å; L46-Y48 PolarHBondContact O-N 3.46Å; Y48-M50 VanDerWaalsContact C-N 3.32Å; Y48-M50 PolarHBondContact O-N 2.79Å; Y48-R51 PolarHBondContact O-N 3.46Å; Y48-V52 HydrophobicContact CE1-CG2 4.35Å; Y48-V52 HydrophobicContact CE2-CG2 4.02Å; Y48-V52 PolarHBondContact O-N 2.84Å; Y48-H325 AromaticContact CD1-CE1 3.37Å; Y48-H325 WeakPolarHBondContact CD1-CE1 3.44Å; Y48-H325 AromaticContact CD1-ND1 3.33Å; Y48-H325 VanDerWaalsContact CD1-ND1 3.33Å; Y48-H325 WeakPolarHBondContact CD1-ND1 3.35Å; Y48-H325 AromaticContact CD2-CE1 3.73Å; Y48-H325 AromaticContact CE1-CE1 3.95Å; Y48-H325 AromaticContact CE1-ND1 3.93Å; Y48-H325 AromaticContact CG-CE1 3.23Å; Y48-H325 AromaticContact CG-ND1 3.66Å; Y48-H325 AromaticContact CG-NE2 3.88Å; Y48-L524 HydrophobicContact CE1-CB 4.37Å; Y48-L524 WeakPolarHBondContact CE1-O 3.29Å; Y48-L524 VanDerWaalsContact CZ-O 3.29Å; Y48-L524 PolarHBondContact OH-O 3.38Å; Y48-V525 WeakPolarHBondContact OH-CA 3.12Å; Y48-L526 HydrophobicContact CD1-CD1 4.46Å; Y48-L526 HydrophobicContact CE1-CB 4.47Å; Y48-L526 HydrophobicContact CE1-CD1 4.03Å; Y48-L526 HydrophobicContact CE1-CG 3.86Å; Y48-L526 PolarHBondContact OH-N 3.49Å; Y48-L526 VanDerWaalsContact OH-N 3.15Å
49L94Very high93.5Very high58 Ų5845.1 Ų45.130%0.30423%0.226SC..Hα-helixtrans-57.7-46.5175.417863.8000110.6G45 L46 R51 V52 M53 L97 L526G45-L49 WeakPolarHBondContact O-CB 3.14Å; G45-L49 PolarHBondContact O-N 3.3Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.87Å; L49-R51 PolarHBondContact O-N 3.46Å; L49-V52 PolarHBondContact O-N 2.94Å; L49-V52 VanDerWaalsContact O-N 3.13Å; L49-M53 HydrophobicContact CD1-CG 3.72Å; L49-M53 HydrophobicContact CG-CG 4.01Å; L49-M53 WeakPolarHBondContact O-CB 3.46Å; L49-M53 VanDerWaalsContact O-CG 3.27Å; L49-M53 WeakPolarHBondContact O-CG 3.42Å; L49-M53 PolarHBondContact O-N 3.45Å; L49-L97 HydrophobicContact CD2-CD2 4Å; L49-L526 HydrophobicContact CD1-CD1 3.75Å
50M94.2Very high93Very high13 Ų1343.3 Ų43.36%0.06422%0.216CC..Hα-helixtrans-66.4-37.3178.8-72.2-50.4-51.200113.1L46 D47 Y48 V52 M53 S54 V95 L97 L109L46-M50 WeakPolarHBondContact O-CG 3.44Å; L46-M50 PolarHBondContact O-N 2.87Å; D47-M50 PolarHBondContact O-N 2.82Å; Y48-M50 VanDerWaalsContact C-N 3.32Å; Y48-M50 PolarHBondContact O-N 2.79Å; M50-V52 PolarHBondContact O-N 3.01Å; M50-M53 PolarHBondContact O-N 3.34Å; M50-S54 WeakPolarHBondContact CE-OG 3.42Å; M50-S54 WeakPolarHBondContact O-CB 3.3Å; M50-S54 PolarHBondContact O-N 2.96Å; M50-S54 PolarHBondContact O-OG 3.23Å; M50-V95 HydrophobicContact CE-CB 4.27Å; M50-V95 HydrophobicContact CE-CG1 3.43Å; M50-V95 VanDerWaalsContact CE-CG1 3.43Å; M50-L97 HydrophobicContact CG-CB 3.29Å; M50-L97 HydrophobicContact CG-CD2 4.34Å; M50-L97 HydrophobicContact CG-CG 4.46Å; M50-L97 HydrophobicContact SD-CB 3.69Å; M50-L97 HydrophobicContact SD-CD2 4.13Å; M50-L97 HydrophobicContact SD-CG 4.48Å; M50-L109 HydrophobicContact CE-CD1 3.65Å; M50-L109 HydrophobicContact SD-CD1 3.91Å
51R93.6Very high92.6Very high170 Ų17046.3 Ų46.364%0.64223%0.231SC*.Hα-helixtrans-58.1-32.8172.9-166.2-178-56.9126.59.6112.6D47 Y48 L49 P55D47-R51 WeakPolarHBondContact O-CB 3.43Å; D47-R51 PolarHBondContact O-N 2.87Å; Y48-R51 PolarHBondContact O-N 3.46Å; L49-R51 PolarHBondContact O-N 3.46Å; R51-P55 WeakPolarHBondContact O-CD 3.18Å
52V92.3Very high92.3Very high21 Ų2146.9 Ų46.913%0.12724%0.239CC..Hα-helixtrans-83.3-39.9176.6174.50000112Y48 L49 M50 L526 T528 I531Y48-V52 HydrophobicContact CE1-CG2 4.35Å; Y48-V52 HydrophobicContact CE2-CG2 4.02Å; Y48-V52 PolarHBondContact O-N 2.84Å; L49-V52 PolarHBondContact O-N 2.94Å; L49-V52 VanDerWaalsContact O-N 3.13Å; M50-V52 PolarHBondContact O-N 3.01Å; V52-L526 HydrophobicContact CB-CD1 4.17Å; V52-L526 HydrophobicContact CG1-CB 4.28Å; V52-L526 HydrophobicContact CG1-CD1 4.14Å; V52-L526 HydrophobicContact CG2-CD1 4.25Å; V52-T528 HydrophobicContact CG1-CG2 4.06Å; V52-I531 HydrophobicContact CG1-CD1 4.17Å
53M90.4Very high92Very high36 Ų3653.1 Ų53.118%0.17726%0.262CS..Hα-helixtrans-78.3-37.6-174.3-73.3-64-60.300113.2L49 M50 I56 L57 I531 V535L49-M53 HydrophobicContact CD1-CG 3.72Å; L49-M53 HydrophobicContact CG-CG 4.01Å; L49-M53 WeakPolarHBondContact O-CB 3.46Å; L49-M53 VanDerWaalsContact O-CG 3.27Å; L49-M53 WeakPolarHBondContact O-CG 3.42Å; L49-M53 PolarHBondContact O-N 3.45Å; M50-M53 PolarHBondContact O-N 3.34Å; M53-I56 WeakPolarHBondContact O-CA 3.28Å; M53-I56 WeakPolarHBondContact O-CB 3.39Å; M53-I56 PolarHBondContact O-N 2.82Å; M53-L57 HydrophobicContact CB-CD1 4.47Å; M53-L57 HydrophobicContact CE-CD2 4.39Å; M53-L57 HydrophobicContact CE-CG 4.37Å; M53-L57 WeakPolarHBondContact O-CG 3.47Å; M53-L57 PolarHBondContact O-N 3.46Å; M53-I531 HydrophobicContact CE-CG2 4.43Å; M53-I531 HydrophobicContact SD-CG2 3.34Å; M53-I531 WeakPolarHBondContact SD-CG2 3.05Å; M53-V535 HydrophobicContact CE-CG2 3.71Å
54S92.9Very high91.5Very high22 Ų2252 Ų5215%0.15425%0.254CS..Hα-helixtrans-57.4-47.2-174.6-62.90000113.1M50 I56 L57 N58M50-S54 WeakPolarHBondContact CE-OG 3.42Å; M50-S54 WeakPolarHBondContact O-CB 3.3Å; M50-S54 PolarHBondContact O-N 2.96Å; M50-S54 PolarHBondContact O-OG 3.23Å; S54-I56 PolarHBondContact O-N 3.09Å; S54-L57 PolarHBondContact O-N 3.46Å; S54-N58 WeakPolarHBondContact O-CB 3.41Å; S54-N58 PolarHBondContact O-N 3.03Å; S54-N58 PolarHBondContact O-ND2 3.16Å; S54-N58 PolarHBondContact O-OD1 2.97Å
55P91.9Very high90.8Very high79 Ų7956.9 Ų56.951%0.51327%0.267SS..Hα-helixtrans-61.9-32.5176.2-22.834.4000113.5R51 R59R51-P55 WeakPolarHBondContact O-CD 3.18Å; P55-R59 WeakPolarHBondContact O-CB 3.38Å; P55-R59 PolarHBondContact O-N 3.45Å
56I88.6Confident89.9Confident13 Ų1357.4 Ų57.47%0.06727%0.267CS..Hα-helixtrans-70.1-50.5177.4-61173.5000109.3M53 S54 N58 R59 E60 I531 Q532 V535M53-I56 WeakPolarHBondContact O-CA 3.28Å; M53-I56 WeakPolarHBondContact O-CB 3.39Å; M53-I56 PolarHBondContact O-N 2.82Å; S54-I56 PolarHBondContact O-N 3.09Å; I56-N58 PolarHBondContact O-N 2.85Å; I56-R59 PolarHBondContact O-N 3.49Å; I56-E60 WeakPolarHBondContact O-CG 3.43Å; I56-E60 PolarHBondContact O-N 3.44Å; I56-E60 VanDerWaalsContact O-N 3.08Å; I56-I531 HydrophobicContact CD1-CB 4.16Å; I56-I531 HydrophobicContact CD1-CG2 3.62Å; I56-Q532 HydrophobicContact CD1-CB 4.3Å; I56-Q532 HydrophobicContact CG2-CB 4.31Å; I56-Q532 HydrophobicContact CG2-CG 4.28Å; I56-V535 HydrophobicContact CG2-CB 4.02Å; I56-V535 HydrophobicContact CG2-CG1 4.07Å; I56-V535 HydrophobicContact CG2-CG2 4.13Å
57L88.7Confident89.1Confident45 Ų4560.3 Ų60.324%0.23629%0.287CS..Hα-helixtrans-58.9-47.1178.3-68.3173.7000111.4M53 S54 R59 E60 I61 V535M53-L57 HydrophobicContact CB-CD1 4.47Å; M53-L57 HydrophobicContact CE-CD2 4.39Å; M53-L57 HydrophobicContact CE-CG 4.37Å; M53-L57 WeakPolarHBondContact O-CG 3.47Å; M53-L57 PolarHBondContact O-N 3.46Å; S54-L57 PolarHBondContact O-N 3.46Å; L57-R59 VanDerWaalsContact C-N 3.26Å; L57-R59 PolarHBondContact O-N 2.95Å; L57-E60 PolarHBondContact O-N 3.34Å; L57-E60 VanDerWaalsContact O-N 3.15Å; L57-I61 HydrophobicContact CB-CD1 4.43Å; L57-I61 WeakPolarHBondContact O-CB 3.25Å; L57-I61 VanDerWaalsContact O-CG1 3.23Å; L57-I61 WeakPolarHBondContact O-CG1 3.11Å; L57-I61 PolarHBondContact O-N 3.03Å; L57-V535 HydrophobicContact CD2-CG1 4.28Å
58N92Very high88Confident36 Ų3659.6 Ų59.619%0.19328%0.279CS..Hα-helixtrans-56.5-41.5178.1-67.5-12.3000111.8S54 I56 A62 Y89 P91S54-N58 WeakPolarHBondContact O-CB 3.41Å; S54-N58 PolarHBondContact O-N 3.03Å; S54-N58 PolarHBondContact O-ND2 3.16Å; S54-N58 PolarHBondContact O-OD1 2.97Å; I56-N58 PolarHBondContact O-N 2.85Å; N58-A62 VanDerWaalsContact O-CB 3.26Å; N58-A62 WeakPolarHBondContact O-CB 3.28Å; N58-A62 PolarHBondContact O-N 3.07Å; N58-Y89 HydrophobicContact CB-CE1 3.86Å; N58-Y89 PolarHBondContact OD1-OH 2.83Å; N58-P91 HydrophobicContact CB-CG 4.37Å; N58-P91 WeakPolarHBondContact ND2-CB 3.48Å
59R90.5Very high86.8Confident113 Ų11358.9 Ų58.943%0.42628%0.278SS..Hα-helixtrans-67.4-40.2178.7177.6177.3174.1169.20.3112.7P55 I56 L57 R63 Q532P55-R59 WeakPolarHBondContact O-CB 3.38Å; P55-R59 PolarHBondContact O-N 3.45Å; I56-R59 PolarHBondContact O-N 3.49Å; L57-R59 VanDerWaalsContact C-N 3.26Å; L57-R59 PolarHBondContact O-N 2.95Å; R59-R63 WeakPolarHBondContact O-CD 3.36Å; R59-R63 WeakPolarHBondContact O-CG 3.38Å; R59-Q532 VanDerWaalsContact CZ-NE2 3.33Å
60E85.6Confident85.6Confident6 Ų657.4 Ų57.43%0.02827%0.274CS..Hα-helixtrans-77.3-36.2-178.5-57-66.5122.300111.3I56 L57 R63 F64 V535 S536 L539 H540I56-E60 WeakPolarHBondContact O-CG 3.43Å; I56-E60 PolarHBondContact O-N 3.44Å; I56-E60 VanDerWaalsContact O-N 3.08Å; L57-E60 PolarHBondContact O-N 3.34Å; L57-E60 VanDerWaalsContact O-N 3.15Å; E60-R63 PolarHBondContact O-N 2.93Å; E60-F64 PolarHBondContact O-N 2.98Å; E60-V535 HydrophobicContact CG-CG1 4.15Å; E60-S536 WeakPolarHBondContact OE2-CA 3.15Å; E60-S536 WeakPolarHBondContact OE2-CB 3.33Å; E60-S536 PolarHBondContact OE2-OG 3.28Å; E60-L539 HydrophobicContact CB-CD1 3.48Å; E60-L539 VanDerWaalsContact CB-CD1 3.48Å; E60-L539 HydrophobicContact CG-CD1 4.12Å; E60-H540 IonicContact OE2-CD2 3.76Å; E60-H540 PolarHBondContact OE2-CD2 2.88Å; E60-H540 IonicContact OE2-NE2 3.69Å; E60-H540 PolarHBondContact OE2-NE2 3.43Å; E60-H540 VanDerWaalsContact OE2-NE2 3.07Å
61I86.4Confident84.7Confident65 Ų6560 Ų6033%0.33329%0.294SS..Hα-helixtrans-64.3-45174.4-65.7165.3000110.6L57 R63 F64 Y89L57-I61 HydrophobicContact CB-CD1 4.43Å; L57-I61 WeakPolarHBondContact O-CB 3.25Å; L57-I61 VanDerWaalsContact O-CG1 3.23Å; L57-I61 WeakPolarHBondContact O-CG1 3.11Å; L57-I61 PolarHBondContact O-N 3.03Å; I61-R63 PolarHBondContact O-N 3.37Å; I61-F64 WeakPolarHBondContact O-CB 3.22Å; I61-F64 PolarHBondContact O-N 3.4Å; I61-Y89 HydrophobicContact CB-CE2 4.29Å; I61-Y89 HydrophobicContact CG2-CD2 3.87Å; I61-Y89 HydrophobicContact CG2-CE2 3.48Å; I61-Y89 VanDerWaalsContact CG2-CE2 3.48Å
62A90.9Very high83.6Confident40 Ų4052.9 Ų52.933%0.33127%0.274SS..THydrogen-bonded Turntrans-62.5-11.617700000114.3N58 Y89N58-A62 VanDerWaalsContact O-CB 3.26Å; N58-A62 WeakPolarHBondContact O-CB 3.28Å; N58-A62 PolarHBondContact O-N 3.07Å; A62-Y89 HydrophobicContact CB-CD1 3.87Å; A62-Y89 HydrophobicContact CB-CG 4.03Å
63R87.8Confident82.4Confident140 Ų14056.5 Ų56.553%0.52830%0.3SS..THydrogen-bonded Turntrans-112.18.4177.7-65.1172.9179.7-156.8-10.3112.1R59 E60 I61 R65R59-R63 WeakPolarHBondContact O-CD 3.36Å; R59-R63 WeakPolarHBondContact O-CG 3.38Å; E60-R63 PolarHBondContact O-N 2.93Å; I61-R63 PolarHBondContact O-N 3.37Å; R63-R65 PolarHBondContact O-N 2.71Å
64F84Confident81.1Confident39 Ų3956.5 Ų56.517%0.17130%0.303CS..  trans-66.2133.9-176.5-176.4-104.4000110.2E60 I61 M66 L84 V86 M543E60-F64 PolarHBondContact O-N 2.98Å; I61-F64 WeakPolarHBondContact O-CB 3.22Å; I61-F64 PolarHBondContact O-N 3.4Å; F64-M66 HydrophobicContact CE1-CB 4Å; F64-M66 HydrophobicContact CE1-CE 4.14Å; F64-M66 HydrophobicContact CZ-CB 4.11Å; F64-M66 HydrophobicContact CZ-CE 3.66Å; F64-L84 HydrophobicContact CD1-CD2 4.38Å; F64-L84 HydrophobicContact CE1-CD2 4.31Å; F64-V86 HydrophobicContact CB-CG2 4.16Å; F64-V86 PolarHBondContact O-N 3.39Å; F64-M543 HydrophobicContact CD2-CE 3.87Å; F64-M543 HydrophobicContact CE2-CB 4.1Å; F64-M543 HydrophobicContact CE2-CE 3.33Å; F64-M543 HydrophobicContact CE2-CG 4.42Å; F64-M543 HydrophobicContact CE2-SD 3.58Å; F64-M543 VanDerWaalsContact CE2-SD 3.58Å; F64-M543 HydrophobicContact CZ-CE 4.19Å; F64-M543 HydrophobicContact CZ-SD 3.93Å
65R82Confident79.7Confident170 Ų17063.2 Ų63.264%0.64233%0.33SS*.EExtended strand (participates in β ladder)trans-139.5136.6176.4-70.8-172.6164.1168.7-6.3108.9R63 L84 Q85R63-R65 PolarHBondContact O-N 2.71Å; R65-L84 CarbonylContact C-O 3.53Å; R65-L84 VanDerWaalsContact CA-O 3.29Å; R65-L84 WeakPolarHBondContact CA-O 3.32Å; R65-Q85 HydrophobicContact CG-CB 3.87Å
66M75.4Confident78.4Confident19 Ų1963 Ų639%0.09434%0.342CS..EExtended strand (participates in β ladder)trans-127.5112.3176.8-175175.6-67.700109.6F64 Y68 D83 L84 F199F64-M66 HydrophobicContact CE1-CB 4Å; F64-M66 HydrophobicContact CE1-CE 4.14Å; F64-M66 HydrophobicContact CZ-CB 4.11Å; F64-M66 HydrophobicContact CZ-CE 3.66Å; M66-Y68 VanDerWaalsContact C-N 3.27Å; M66-Y68 WeakPolarHBondContact CG-O 3.24Å; M66-Y68 PolarHBondContact O-N 2.96Å; M66-D83 CarbonylContact O-C 3.5Å; M66-D83 WeakPolarHBondContact O-CA 3.32Å; M66-D83 PolarHBondContact O-N 2.88Å; M66-L84 HydrophobicContact CB-CB 4.35Å; M66-L84 PolarHBondContact N-O 2.88Å; M66-L84 PolarHBondContact O-N 2.78Å; M66-F199 HydrophobicContact CE-CE2 4.2Å; M66-F199 HydrophobicContact CE-CZ 3.59Å; M66-F199 HydrophobicContact SD-CE2 3.71Å; M66-F199 HydrophobicContact SD-CZ 3.49Å; M66-F199 WeakPolarHBondContact SD-CZ 3.29Å
67P79.3Confident77.5Confident68 Ų6867 Ų6744%0.44236%0.359SS..EExtended strand (participates in β ladder)trans-62.5-30.2-177.9-25.134.4000114.5Q82 D83P67-Q82 CarbonylContact O-C 3.55Å; P67-Q82 VanDerWaalsContact O-CA 3.3Å; P67-Q82 WeakPolarHBondContact O-CA 3.5Å; P67-Q82 WeakPolarHBondContact O-CB 3.42Å; P67-D83 PolarHBondContact O-N 2.94Å
68Y73.2Confident76.8Confident61 Ų6168.2 Ų68.224%0.23937%0.371CS..EExtended strand (participates in β ladder)trans-136.9125.3-178.2175.7-88.1000110.2M66 S71 E80 N547M66-Y68 VanDerWaalsContact C-N 3.27Å; M66-Y68 WeakPolarHBondContact CG-O 3.24Å; M66-Y68 PolarHBondContact O-N 2.96Å; Y68-S71 VanDerWaalsContact OH-CB 3.3Å; Y68-S71 WeakPolarHBondContact OH-CB 3.46Å; Y68-S71 PolarHBondContact OH-N 2.98Å; Y68-S71 VanDerWaalsContact OH-N 3.09Å; Y68-S71 PolarHBondContact OH-OG 3.05Å; Y68-E80 HydrophobicContact CD2-CG 4.21Å; Y68-E80 WeakPolarHBondContact CD2-OE1 3.42Å; Y68-E80 HydrophobicContact CE2-CG 3.74Å; Y68-E80 WeakPolarHBondContact CE2-OE1 3.46Å; Y68-N547 PolarHBondContact O-ND2 3.41Å
69V68.6Low76Confident22 Ų2268 Ų6813%0.13337%0.368CS..EExtended strand (participates in β ladder)trans-105-56.2-177.4-173.90000111.1V81 L84 F199V69-V81 HydrophobicContact CB-CB 4.09Å; V69-V81 HydrophobicContact CB-CG1 3.91Å; V69-V81 WeakPolarHBondContact CB-O 3.35Å; V69-V81 HydrophobicContact CG1-CG1 4.38Å; V69-V81 HydrophobicContact CG2-CG1 3.98Å; V69-V81 PolarHBondContact N-O 2.99Å; V69-L84 HydrophobicContact CG1-CD1 4.21Å; V69-L84 HydrophobicContact CG2-CB 3.32Å; V69-L84 HydrophobicContact CG2-CD1 3.74Å; V69-L84 HydrophobicContact CG2-CG 4.18Å; V69-F199 HydrophobicContact CG1-CD2 3.9Å; V69-F199 HydrophobicContact CG1-CE2 3.92Å; V69-F199 HydrophobicContact CG1-CG 4.3Å; V69-F199 HydrophobicContact CG1-CZ 4.33Å
70A69.9Low75.4Confident27 Ų2765.4 Ų65.422%0.22336%0.36CS..EExtended strand (participates in β ladder)trans-163.9155.2-174.700000111.8E80 V81A70-E80 CarbonylContact O-C 3.59Å; A70-E80 WeakPolarHBondContact O-CA 3.44Å; A70-V81 PolarHBondContact N-O 3.48Å; A70-V81 PolarHBondContact O-N 3.36Å
71S74.6Confident75Confident68 Ų6865.6 Ų65.648%0.47636%0.362SS..EExtended strand (participates in β ladder)trans-126.3164.1162.367.80000110.4Y68 Y79Y68-S71 VanDerWaalsContact OH-CB 3.3Å; Y68-S71 WeakPolarHBondContact OH-CB 3.46Å; Y68-S71 PolarHBondContact OH-N 2.98Å; Y68-S71 VanDerWaalsContact OH-N 3.09Å; Y68-S71 PolarHBondContact OH-OG 3.05Å; S71-Y79 CarbonylContact C-O 3.52Å; S71-Y79 VanDerWaalsContact CA-O 3.27Å; S71-Y79 WeakPolarHBondContact CA-O 3.35Å
72G71.2Confident74.9Confident21 Ų2165.1 Ų65.122%0.21636%0.359CS..EExtended strand (participates in β ladder)trans-173.4-178.9174.400000112.4S78 Y79G72-S78 CarbonylContact O-C 3.56Å; G72-S78 VanDerWaalsContact O-CA 3.26Å; G72-S78 WeakPolarHBondContact O-CA 3.36Å; G72-Y79 PolarHBondContact N-O 3.25Å; G72-Y79 WeakPolarHBondContact O-CD1 3.22Å; G72-Y79 PolarHBondContact O-N 3.09Å
73S67.5Low74.7Confident96 Ų9668 Ų6867%0.67137%0.368SS*.EExtended strand (participates in β ladder)trans-126.4133.5170.558.40000110.3K77S73-K77 CarbonylContact C-O 3.56Å; S73-K77 WeakPolarHBondContact CA-O 3.29Å
74S62.6Low74.6Confident36 Ų3661.9 Ų61.925%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-131.7134.6172-1670000108.1G76 K77S74-G76 PolarHBondContact O-N 3.42Å; S74-G76 VanDerWaalsContact O-N 3.13Å; S74-K77 PolarHBondContact N-O 2.97Å; S74-K77 PolarHBondContact O-N 3.21Å
75F62.8Low74.8Confident163 Ų16362.7 Ų62.772%0.71535%0.35SS*.THydrogen-bonded Turntrans49.837.7-175.4-59.5-82.6000114.1K77 I187F75-K77 VanDerWaalsContact C-N 3.26Å; F75-K77 PolarHBondContact O-N 2.97Å; F75-I187 HydrophobicContact CD2-CD1 4.24Å; F75-I187 HydrophobicContact CE2-CD1 3.6Å; F75-I187 HydrophobicContact CE2-CG1 4.12Å; F75-I187 HydrophobicContact CZ-CD1 4.34Å
76G65.5Low75.3Confident74 Ų7455.7 Ų55.776%0.76333%0.327SS*.THydrogen-bonded Turntrans72.611-179.200000115.2S74S74-G76 PolarHBondContact O-N 3.42Å; S74-G76 VanDerWaalsContact O-N 3.13Å
77K68.2Low76.2Confident98 Ų9858.5 Ų58.543%0.42634%0.342SS..EExtended strand (participates in β ladder)trans-115.3131.9177.1-61.1-60.7-177-175.70110.9S73 S74 F75S73-K77 CarbonylContact C-O 3.56Å; S73-K77 WeakPolarHBondContact CA-O 3.29Å; S74-K77 PolarHBondContact N-O 2.97Å; S74-K77 PolarHBondContact O-N 3.21Å; F75-K77 VanDerWaalsContact C-N 3.26Å; F75-K77 PolarHBondContact O-N 2.97Å
78S73.8Confident76.9Confident70 Ų7062.3 Ų62.349%0.4935%0.348SS..EExtended strand (participates in β ladder)trans-76.8146.217556.10000111.2G72 S124G72-S78 CarbonylContact O-C 3.56Å; G72-S78 VanDerWaalsContact O-CA 3.26Å; G72-S78 WeakPolarHBondContact O-CA 3.36Å; S78-S124 PolarHBondContact O-OG 3.11Å; S78-S124 VanDerWaalsContact O-OG 3.12Å
79Y75Confident77.9Confident32 Ų3261 Ų6113%0.12534%0.342CS..EExtended strand (participates in β ladder)trans-141.1156.5169.769.5-88.4000110S71 G72 V81 L122 S123 K195S71-Y79 CarbonylContact C-O 3.52Å; S71-Y79 VanDerWaalsContact CA-O 3.27Å; S71-Y79 WeakPolarHBondContact CA-O 3.35Å; G72-Y79 PolarHBondContact N-O 3.25Å; G72-Y79 WeakPolarHBondContact O-CD1 3.22Å; G72-Y79 PolarHBondContact O-N 3.09Å; Y79-V81 HydrophobicContact CD2-CG2 4.32Å; Y79-V81 HydrophobicContact CE2-CG2 4.39Å; Y79-L122 HydrophobicContact CD2-CD1 3.73Å; Y79-L122 HydrophobicContact CG-CD1 4.25Å; Y79-S123 CarbonylContact C-O 3.56Å; Y79-S123 VanDerWaalsContact CA-O 3.28Å; Y79-S123 WeakPolarHBondContact CA-O 3.34Å; Y79-K195 WeakPolarHBondContact OH-CD 3.34Å; Y79-K195 WeakPolarHBondContact OH-CE 3.5Å; Y79-K195 PolarHBondContact OH-NZ 2.89Å
80E78.6Confident79.2Confident58 Ų5863 Ų6327%0.27135%0.354SS..EExtended strand (participates in β ladder)trans-137.5138.2178.5-159.8179.4169.900109.4Y68 A70 Q82 L122 S123Y68-E80 HydrophobicContact CD2-CG 4.21Å; Y68-E80 WeakPolarHBondContact CD2-OE1 3.42Å; Y68-E80 HydrophobicContact CE2-CG 3.74Å; Y68-E80 WeakPolarHBondContact CE2-OE1 3.46Å; A70-E80 CarbonylContact O-C 3.59Å; A70-E80 WeakPolarHBondContact O-CA 3.44Å; E80-Q82 HydrophobicContact CG-CG 3.93Å; E80-Q82 PolarHBondContact OE1-NE2 2.89Å; E80-Q82 PolarHBondContact OE2-NE2 2.81Å; E80-Q82 VanDerWaalsContact OE2-NE2 3.16Å; E80-L122 CarbonylContact O-C 3.58Å; E80-L122 WeakPolarHBondContact O-CA 2.96Å; E80-S123 WeakPolarHBondContact CB-OG 3.46Å; E80-S123 PolarHBondContact N-O 3.37Å; E80-S123 PolarHBondContact O-N 3.28Å
81V77.8Confident80.4Confident10 Ų1064.4 Ų64.46%0.06136%0.362CS..EExtended strand (participates in β ladder)trans-111116.4175.5-177.20000107.2V69 A70 Y79 A120 F121 L122V69-V81 HydrophobicContact CB-CB 4.09Å; V69-V81 HydrophobicContact CB-CG1 3.91Å; V69-V81 WeakPolarHBondContact CB-O 3.35Å; V69-V81 HydrophobicContact CG1-CG1 4.38Å; V69-V81 HydrophobicContact CG2-CG1 3.98Å; V69-V81 PolarHBondContact N-O 2.99Å; A70-V81 PolarHBondContact N-O 3.48Å; A70-V81 PolarHBondContact O-N 3.36Å; Y79-V81 HydrophobicContact CD2-CG2 4.32Å; Y79-V81 HydrophobicContact CE2-CG2 4.39Å; V81-A120 HydrophobicContact CG1-CB 3.62Å; V81-F121 WeakPolarHBondContact CA-O 3.27Å; V81-L122 HydrophobicContact CG2-CD1 3.84Å
82Q83.8Confident81.4Confident56 Ų5661.9 Ų61.926%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-125.3168.1-174.7-65.9-177.1-13.800111.2P67 E80 L84 F121P67-Q82 CarbonylContact O-C 3.55Å; P67-Q82 VanDerWaalsContact O-CA 3.3Å; P67-Q82 WeakPolarHBondContact O-CA 3.5Å; P67-Q82 WeakPolarHBondContact O-CB 3.42Å; E80-Q82 HydrophobicContact CG-CG 3.93Å; E80-Q82 PolarHBondContact OE1-NE2 2.89Å; E80-Q82 PolarHBondContact OE2-NE2 2.81Å; E80-Q82 VanDerWaalsContact OE2-NE2 3.16Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 2.84Å; Q82-F121 PolarHBondContact N-O 2.96Å; Q82-F121 PolarHBondContact O-N 3.23Å
83D86.4Confident82.5Confident100 Ų10070.2 Ų70.254%0.53537%0.368SS..EExtended strand (participates in β ladder)trans50.443.6170.8-67.5-32.7000114.5M66 P67 Q85M66-D83 CarbonylContact O-C 3.5Å; M66-D83 WeakPolarHBondContact O-CA 3.32Å; M66-D83 PolarHBondContact O-N 2.88Å; P67-D83 PolarHBondContact O-N 2.94Å; D83-Q85 PolarHBondContact O-N 2.88Å
84L85.7Confident83.6Confident11 Ų1171 Ų716%0.05836%0.362CS..EExtended strand (participates in β ladder)trans-63.3127.7173.3-179.5155.2000109.9F64 R65 M66 V69 Q82 I118 S119 A120F64-L84 HydrophobicContact CD1-CD2 4.38Å; F64-L84 HydrophobicContact CE1-CD2 4.31Å; R65-L84 CarbonylContact C-O 3.53Å; R65-L84 VanDerWaalsContact CA-O 3.29Å; R65-L84 WeakPolarHBondContact CA-O 3.32Å; M66-L84 HydrophobicContact CB-CB 4.35Å; M66-L84 PolarHBondContact N-O 2.88Å; M66-L84 PolarHBondContact O-N 2.78Å; V69-L84 HydrophobicContact CG1-CD1 4.21Å; V69-L84 HydrophobicContact CG2-CB 3.32Å; V69-L84 HydrophobicContact CG2-CD1 3.74Å; V69-L84 HydrophobicContact CG2-CG 4.18Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 2.84Å; L84-I118 HydrophobicContact CD1-CG2 3.96Å; L84-I118 HydrophobicContact CD2-CG2 3.7Å; L84-I118 HydrophobicContact CG-CG2 3.47Å; L84-I118 VanDerWaalsContact CG-CG2 3.47Å; L84-S119 CarbonylContact C-O 3.43Å; L84-S119 VanDerWaalsContact CA-O 3.28Å; L84-S119 WeakPolarHBondContact CA-O 3.34Å; L84-A120 HydrophobicContact CB-CB 4.12Å
85Q89.7Confident85.2Confident56 Ų5671.1 Ų71.126%0.26236%0.361SS..EExtended strand (participates in β ladder)trans-140148.1177.963.2174.7800111.1R65 D83 D87 I118 S119R65-Q85 HydrophobicContact CG-CB 3.87Å; D83-Q85 PolarHBondContact O-N 2.88Å; Q85-D87 PolarHBondContact NE2-OD1 3.28Å; Q85-D87 VanDerWaalsContact NE2-OD1 3.12Å; Q85-D87 PolarHBondContact O-N 2.91Å; Q85-I118 VanDerWaalsContact O-CA 3.29Å; Q85-I118 WeakPolarHBondContact O-CA 3.09Å; Q85-I118 VanDerWaalsContact O-CG2 3.28Å; Q85-I118 WeakPolarHBondContact O-CG2 3.39Å; Q85-S119 WeakPolarHBondContact CG-OG 3.44Å; Q85-S119 PolarHBondContact N-O 3.45Å; Q85-S119 PolarHBondContact NE2-OG 2.93Å; Q85-S119 PolarHBondContact O-N 3.31Å
86V91.3Very high86.7Confident24 Ų2465.8 Ų65.815%0.14534%0.343CS..EExtended strand (participates in β ladder)trans-82.6113.7172.3-176.90000108.4F64 R88 I118F64-V86 HydrophobicContact CB-CG2 4.16Å; F64-V86 PolarHBondContact O-N 3.39Å; V86-R88 WeakPolarHBondContact CG1-O 3.33Å; V86-I118 HydrophobicContact CG2-CG1 4.42Å
87D93.6Very high88.2Confident78 Ų7863 Ų6342%0.41731%0.311SS..EExtended strand (participates in β ladder)trans-83.9-44177.7-62.7-47.5000110.8Q85 E117 S119Q85-D87 PolarHBondContact NE2-OD1 3.28Å; Q85-D87 VanDerWaalsContact NE2-OD1 3.12Å; Q85-D87 PolarHBondContact O-N 2.91Å; D87-E117 PolarHBondContact N-O 2.89Å; D87-S119 PolarHBondContact OD1-OG 2.9Å; D87-S119 WeakPolarHBondContact OD2-CB 3.5Å; D87-S119 PolarHBondContact OD2-N 2.88Å; D87-S119 PolarHBondContact OD2-OG 3.41Å
88R94.9Very high89.5Confident148 Ų14860.5 Ų60.556%0.55831%0.306SS*.EExtended strand (participates in β ladder)trans-134.1139.3175.6-162.1-172.2-178.7175.5-4.1110.3V86 A116 E117V86-R88 WeakPolarHBondContact CG1-O 3.33Å; R88-A116 CarbonylContact O-C 3.58Å; R88-A116 VanDerWaalsContact O-CA 3.3Å; R88-A116 WeakPolarHBondContact O-CA 3.44Å; R88-E117 HydrophobicContact CB-CB 3.79Å; R88-E117 HydrophobicContact CB-CG 3.94Å; R88-E117 VanDerWaalsContact CD-CD 3.43Å; R88-E117 WeakPolarHBondContact CD-OE1 3.48Å; R88-E117 IonicContact CZ-OE1 2.73Å; R88-E117 PolarHBondContact N-O 3.28Å; R88-E117 VanDerWaalsContact N-O 3.1Å; R88-E117 IonicContact NE-OE1 3.65Å; R88-E117 IonicContact NH1-OE1 2.83Å; R88-E117 PolarHBondContact NH1-OE1 2.97Å; R88-E117 PolarHBondContact O-N 3.48Å
89Y94.6Very high90.7Very high33 Ų3358.3 Ų58.313%0.12929%0.289CS..EExtended strand (participates in β ladder)trans-131.6122.7178.8177.9-108.1000110.7N58 I61 A62 P91 P92 L114 A116N58-Y89 HydrophobicContact CB-CE1 3.86Å; N58-Y89 PolarHBondContact OD1-OH 2.83Å; I61-Y89 HydrophobicContact CB-CE2 4.29Å; I61-Y89 HydrophobicContact CG2-CD2 3.87Å; I61-Y89 HydrophobicContact CG2-CE2 3.48Å; I61-Y89 VanDerWaalsContact CG2-CE2 3.48Å; A62-Y89 HydrophobicContact CB-CD1 3.87Å; A62-Y89 HydrophobicContact CB-CG 4.03Å; Y89-P91 HydrophobicContact CD1-CG 4.1Å; Y89-P91 HydrophobicContact CE1-CB 4.04Å; Y89-P91 HydrophobicContact CE1-CG 3.74Å; Y89-P92 WeakPolarHBondContact OH-CD 3.34Å; Y89-L114 HydrophobicContact CE2-CD1 3.76Å; Y89-L114 HydrophobicContact CE2-CD2 4.35Å; Y89-L114 HydrophobicContact CE2-CG 3.85Å; Y89-A116 HydrophobicContact CD2-CB 4.49Å
90T95.9Very high91.6Very high63 Ų6357.9 Ų57.939%0.38729%0.289SS..EExtended strand (participates in β ladder)trans-105.6111.4170.4-59.60000108.4S115T90-S115 PolarHBondContact N-O 2.87Å; T90-S115 PolarHBondContact O-N 3.23Å; T90-S115 VanDerWaalsContact O-N 3.16Å
91P95.3Very high92.3Very high58 Ų5856.9 Ų56.938%0.37729%0.287SS..  trans-57.2149179-24.832.8000113.1N58 Y89N58-P91 HydrophobicContact CB-CG 4.37Å; N58-P91 WeakPolarHBondContact ND2-CB 3.48Å; Y89-P91 HydrophobicContact CD1-CG 4.1Å; Y89-P91 HydrophobicContact CE1-CB 4.04Å; Y89-P91 HydrophobicContact CE1-CG 3.74Å
92P94.9Very high92.9Very high15 Ų1564.1 Ų64.110%0.09733%0.326CS..  trans-56139.3174.323.8-35.3000112.1Y89 Q94 V95 S112 L114 F143Y89-P92 WeakPolarHBondContact OH-CD 3.34Å; P92-Q94 PolarHBondContact O-N 3.31Å; P92-V95 HydrophobicContact CB-CG2 3.91Å; P92-V95 HydrophobicContact CG-CG2 3.25Å; P92-S112 CarbonylContact C-O 3.55Å; P92-S112 WeakPolarHBondContact CA-O 3.37Å; P92-S112 WeakPolarHBondContact CB-O 3.24Å; P92-L114 HydrophobicContact CB-CB 4.19Å; P92-F143 HydrophobicContact CB-CE1 4.32Å; P92-F143 HydrophobicContact CG-CE1 4.12Å; P92-F143 HydrophobicContact CG-CZ 4.47Å
93R93.8Very high93.3Very high195 Ų19563.3 Ų63.374%0.73633%0.326SS*.SBendtrans-59.6-34.8177.9-67.8-178.6-77.7179.3-7.5112.1S112 D140R93-S112 PolarHBondContact N-O 2.71Å; R93-D140 IonicContact CZ-OD1 2.77Å; R93-D140 IonicContact NH2-OD1 2.85Å; R93-D140 PolarHBondContact NH2-OD1 3.33Å; R93-D140 IonicContact NH2-OD2 3.24Å
94Q91.7Very high93.5Very high113 Ų11362.9 Ų62.953%0.52833%0.329SS..EExtended strand (participates in β ladder)trans-138.3138.8176.960.4-176.6-7.100110.3P92 G111 S112P92-Q94 PolarHBondContact O-N 3.31Å; Q94-G111 WeakPolarHBondContact O-CA 3.2Å; Q94-S112 WeakPolarHBondContact CG-OG 3.47Å; Q94-S112 PolarHBondContact NE2-OG 3.46Å; Q94-S112 PolarHBondContact O-N 3.43Å
95V95Very high94Very high38 Ų3862.6 Ų62.623%0.2333%0.328CS..EExtended strand (participates in β ladder)trans-136126.2169.6-167.20000108M50 P92 L109 H110 F143M50-V95 HydrophobicContact CE-CB 4.27Å; M50-V95 HydrophobicContact CE-CG1 3.43Å; M50-V95 VanDerWaalsContact CE-CG1 3.43Å; P92-V95 HydrophobicContact CB-CG2 3.91Å; P92-V95 HydrophobicContact CG-CG2 3.25Å; V95-L109 HydrophobicContact CG1-CD1 3.64Å; V95-H110 CarbonylContact C-O 3.54Å; V95-H110 WeakPolarHBondContact CA-O 3.36Å; V95-F143 HydrophobicContact CG1-CZ 4.33Å
96S95.2Very high94.4Very high51 Ų5160.9 Ų60.936%0.35732%0.319SS..EExtended strand (participates in β ladder)trans-131.2146.6-179.864.10000110.9L109 H110S96-L109 WeakPolarHBondContact O-CA 3.48Å; S96-H110 PolarHBondContact N-O 2.64Å; S96-H110 PolarHBondContact O-N 3.16Å
97L97.1Very high94.7Very high16 Ų1660.8 Ų60.88%0.08432%0.318CS..EExtended strand (participates in β ladder)trans-118.9106.7170.7-178.564.4000107.4L46 L49 M50 L107 R108 L109L46-L97 HydrophobicContact CB-CB 4.41Å; L46-L97 HydrophobicContact CB-CD2 4.35Å; L46-L97 HydrophobicContact CB-CG 4.36Å; L46-L97 WeakPolarHBondContact CB-O 3.4Å; L46-L97 HydrophobicContact CD2-CD2 3.79Å; L46-L97 HydrophobicContact CD2-CG 4.24Å; L49-L97 HydrophobicContact CD2-CD2 4Å; M50-L97 HydrophobicContact CG-CB 3.29Å; M50-L97 HydrophobicContact CG-CD2 4.34Å; M50-L97 HydrophobicContact CG-CG 4.46Å; M50-L97 HydrophobicContact SD-CB 3.69Å; M50-L97 HydrophobicContact SD-CD2 4.13Å; M50-L97 HydrophobicContact SD-CG 4.48Å; L97-L107 HydrophobicContact CD1-CB 4.03Å; L97-R108 WeakPolarHBondContact CA-O 3.03Å; L97-L109 HydrophobicContact CD1-CB 4.09Å
98S96.2Very high94.9Very high45 Ų4561.1 Ų61.132%0.31531%0.313SS..EExtended strand (participates in β ladder)trans-112.8151.4-169.561.50000111.6L107 R108S98-L107 CarbonylContact O-C 3.54Å; S98-L107 VanDerWaalsContact O-CA 3.3Å; S98-L107 WeakPolarHBondContact O-CA 3.31Å; S98-R108 PolarHBondContact N-O 2.96Å; S98-R108 PolarHBondContact O-N 3.44Å; S98-R108 PolarHBondContact OG-O 3.27Å
99L97.1Very high95Very high25 Ų2555.2 Ų55.213%0.13129%0.293CS..EExtended strand (participates in β ladder)trans-81.3132.8172.3-68.2171.5000110.6N43 L46 H106 L107 V283 S290 Y291 L292N43-L99 VanDerWaalsContact OD1-CD1 3.26Å; N43-L99 WeakPolarHBondContact OD1-CD1 3.35Å; L46-L99 HydrophobicContact CD1-CD1 4.47Å; L46-L99 HydrophobicContact CD1-CD2 3.8Å; L46-L99 HydrophobicContact CD1-CG 3.68Å; L99-H106 WeakPolarHBondContact CA-O 3.25Å; L99-L107 HydrophobicContact CD2-CD2 3.68Å; L99-V283 HydrophobicContact CB-CG1 3.81Å; L99-V283 HydrophobicContact CB-CG2 4.45Å; L99-V283 HydrophobicContact CD1-CG1 4.3Å; L99-V283 HydrophobicContact CD2-CG1 4.29Å; L99-V283 HydrophobicContact CD2-CG2 4.05Å; L99-V283 HydrophobicContact CG-CG1 4.38Å; L99-S290 VanDerWaalsContact CD1-C 3.42Å; L99-S290 WeakPolarHBondContact CD1-O 3.49Å; L99-Y291 VanDerWaalsContact CD1-CA 3.44Å; L99-L292 HydrophobicContact CD2-CB 3.67Å
100V95.9Very high95.1Very high22 Ų2256.1 Ų56.113%0.13330%0.298CS..  trans-109.4119176.5-170.50000109.4T105 H106 R108 V283V100-T105 WeakPolarHBondContact CB-O 3.46Å; V100-T105 HydrophobicContact CG2-CG2 4.23Å; V100-H106 PolarHBondContact N-O 2.84Å; V100-R108 HydrophobicContact CG2-CB 3.57Å; V100-V283 VanDerWaalsContact O-CG2 3.24Å; V100-V283 WeakPolarHBondContact O-CG2 3.46Å
101T92.1Very high95.1Very high37 Ų3753.1 Ų53.123%0.22728%0.28CS..SBendtrans-90.3149178.354.40000111.7S103 V283 R285T101-S103 VanDerWaalsContact C-N 3.25Å; T101-S103 PolarHBondContact O-N 3.42Å; T101-V283 HydrophobicContact CG2-CB 4.16Å; T101-V283 HydrophobicContact CG2-CG1 3.53Å; T101-R285 PolarHBondContact OG1-NH2 2.83Å; T101-R285 VanDerWaalsContact OG1-NH2 3.14Å
102N89.7Confident95.1Very high163 Ų16351.1 Ų51.187%0.87227%0.267SS*.SBendtrans57.135.7175.3-53-28.7000113.7
103S92.2Very high95Very high38 Ų3850.8 Ų50.827%0.26627%0.266SS..SBendtrans-135.3151.6-178.7176.10000110.1T101 T105T101-S103 VanDerWaalsContact C-N 3.25Å; T101-S103 PolarHBondContact O-N 3.42Å; S103-T105 WeakPolarHBondContact CB-O 3.31Å; S103-T105 PolarHBondContact O-N 3.07Å; S103-T105 PolarHBondContact OG-N 3.05Å; S103-T105 VanDerWaalsContact OG-N 3.09Å
104P91Very high95Very high92 Ų9242.5 Ų42.560%0.59724%0.236SC*.SBendtrans-63.1-19.7166.927.9-36.4000112.7A148P104-A148 WeakPolarHBondContact O-CB 3.16Å
105T96.8Very high95.2Very high5 Ų538.1 Ų38.13%0.03122%0.218CC..  trans-84.1129.9168.6-58.90000108.9V100 S103 L107 T162 E163V100-T105 WeakPolarHBondContact CB-O 3.46Å; V100-T105 HydrophobicContact CG2-CG2 4.23Å; S103-T105 WeakPolarHBondContact CB-O 3.31Å; S103-T105 PolarHBondContact O-N 3.07Å; S103-T105 PolarHBondContact OG-N 3.05Å; S103-T105 VanDerWaalsContact OG-N 3.09Å; T105-L107 WeakPolarHBondContact CG2-O 3.25Å; T105-T162 WeakPolarHBondContact CB-OG1 3.47Å; T105-T162 PolarHBondContact OG1-OG1 2.9Å; T105-E163 HydrophobicContact CG2-CG 4.48Å; T105-E163 PolarHBondContact OG1-OE2 2.85Å
106H97.4Very high95.1Very high19 Ų1936.6 Ų36.69%0.08821%0.21CC..  trans-99.5-36.5177.4-58.7165.9000112.3L99 V100 F147 I149 A281 V283 L292L99-H106 WeakPolarHBondContact CA-O 3.25Å; V100-H106 PolarHBondContact N-O 2.84Å; H106-F147 PolarHBondContact N-O 2.88Å; H106-I149 PolarHBondContact CE1-O 3.01Å; H106-I149 PolarHBondContact ND1-N 2.77Å; H106-A281 PolarHBondContact CE1-O 3.18Å; H106-A281 PolarHBondContact NE2-O 2.83Å; H106-V283 HydrophobicContact CB-CG2 4.05Å; H106-V283 WeakPolarHBondContact O-CG2 3.5Å; H106-L292 HydrophobicContact CB-CD1 3.87Å
107L97.7Very high95Very high22 Ų2237.7 Ų37.712%0.11521%0.209CC..EExtended strand (participates in β ladder)trans-125.2135.1-179.1-64.7168000108.6L46 L97 S98 L99 T105 G146 F147 L292L46-L107 HydrophobicContact CD1-CD2 3.55Å; L46-L107 HydrophobicContact CD2-CD2 3.85Å; L46-L107 HydrophobicContact CG-CD2 4.37Å; L97-L107 HydrophobicContact CD1-CB 4.03Å; S98-L107 CarbonylContact O-C 3.54Å; S98-L107 VanDerWaalsContact O-CA 3.3Å; S98-L107 WeakPolarHBondContact O-CA 3.31Å; L99-L107 HydrophobicContact CD2-CD2 3.68Å; T105-L107 WeakPolarHBondContact CG2-O 3.25Å; L107-G146 CarbonylContact O-C 3.47Å; L107-G146 WeakPolarHBondContact O-CA 3.2Å; L107-F147 HydrophobicContact CB-CB 4.27Å; L107-F147 HydrophobicContact CB-CD2 4.43Å; L107-F147 PolarHBondContact N-O 3.08Å; L107-F147 PolarHBondContact O-N 3.02Å; L107-L292 HydrophobicContact CD1-CD2 4Å; L107-L292 HydrophobicContact CD2-CD2 4.28Å; L107-L292 HydrophobicContact CG-CD2 4.17Å
108R97.5Very high94.7Very high86 Ų8637.3 Ų37.333%0.32521%0.207SC..EExtended strand (participates in β ladder)trans-120.7112.7174.1175.6171.7-64157.3-1.5109.7L97 S98 V100 T144 E163L97-R108 WeakPolarHBondContact CA-O 3.03Å; S98-R108 PolarHBondContact N-O 2.96Å; S98-R108 PolarHBondContact O-N 3.44Å; S98-R108 PolarHBondContact OG-O 3.27Å; V100-R108 HydrophobicContact CG2-CB 3.57Å; R108-T144 HydrophobicContact CG-CG2 3.87Å; R108-E163 VanDerWaalsContact CG-OE1 3.26Å; R108-E163 WeakPolarHBondContact CG-OE1 3.35Å; R108-E163 IonicContact CZ-OE1 3.9Å; R108-E163 IonicContact CZ-OE2 3.92Å; R108-E163 IonicContact NE-OE1 3.51Å; R108-E163 PolarHBondContact NE-OE1 3.11Å; R108-E163 IonicContact NE-OE2 3.24Å; R108-E163 PolarHBondContact NE-OE2 3.32Å; R108-E163 IonicContact NH2-OE1 2.77Å; R108-E163 IonicContact NH2-OE2 2.84Å; R108-E163 PolarHBondContact NH2-OE2 3.12Å
109L97.1Very high94.4Very high23 Ų2335.8 Ų35.812%0.1220%0.196CC..EExtended strand (participates in β ladder)trans-81.3122.8165.2177.165.8000107.7M50 V95 S96 L97 F143 T144 V145 F147M50-L109 HydrophobicContact CE-CD1 3.65Å; M50-L109 HydrophobicContact SD-CD1 3.91Å; V95-L109 HydrophobicContact CG1-CD1 3.64Å; S96-L109 WeakPolarHBondContact O-CA 3.48Å; L97-L109 HydrophobicContact CD1-CB 4.09Å; L109-F143 HydrophobicContact CD2-CE2 4.08Å; L109-F143 HydrophobicContact CG-CE2 3.99Å; L109-T144 CarbonylContact O-C 3.51Å; L109-T144 WeakPolarHBondContact O-CA 3.4Å; L109-V145 WeakPolarHBondContact CA-O 3.46Å; L109-V145 HydrophobicContact CB-CB 4.44Å; L109-V145 VanDerWaalsContact CB-O 3.32Å; L109-V145 WeakPolarHBondContact CB-O 3.15Å; L109-V145 PolarHBondContact N-O 2.87Å; L109-V145 PolarHBondContact O-N 3.29Å; L109-F147 HydrophobicContact CB-CE2 3.89Å
110H96.9Very high93.9Very high53 Ų5334.7 Ų34.725%0.24519%0.191CC..EExtended strand (participates in β ladder)trans-130.6134.6177.2173.8-82.4000109.1V95 S96 F143V95-H110 CarbonylContact C-O 3.54Å; V95-H110 WeakPolarHBondContact CA-O 3.36Å; S96-H110 PolarHBondContact N-O 2.64Å; S96-H110 PolarHBondContact O-N 3.16Å; H110-F143 WeakPolarHBondContact CA-O 3.48Å
111G95.7Very high93.5Very high0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-139.2149.7169.900000111.7Q94 V142 F143Q94-G111 WeakPolarHBondContact O-CA 3.2Å; G111-V142 CarbonylContact O-C 3.5Å; G111-V142 WeakPolarHBondContact O-CA 3.45Å; G111-F143 PolarHBondContact N-O 2.83Å; G111-F143 PolarHBondContact O-N 2.73Å
112S95.5Very high93.1Very high16 Ų1636.1 Ų36.111%0.11219%0.193CC..EExtended strand (participates in β ladder)trans-142.9155.2176.669.40000113.1P92 R93 Q94P92-S112 CarbonylContact C-O 3.55Å; P92-S112 WeakPolarHBondContact CA-O 3.37Å; P92-S112 WeakPolarHBondContact CB-O 3.24Å; R93-S112 PolarHBondContact N-O 2.71Å; Q94-S112 WeakPolarHBondContact CG-OG 3.47Å; Q94-S112 PolarHBondContact NE2-OG 3.46Å; Q94-S112 PolarHBondContact O-N 3.43Å
113G94.3Very high92.7Very high7 Ų729.8 Ų29.87%0.07216%0.161CC..EExtended strand (participates in β ladder)trans7532.1-176.400000113.8D140 V141G113-D140 WeakPolarHBondContact CA-OD1 3.47Å; G113-D140 PolarHBondContact N-OD1 2.83Å; G113-V141 PolarHBondContact N-O 3.15Å
114L93.8Very high91.9Very high21 Ų2129 Ų2911%0.1116%0.156CC..EExtended strand (participates in β ladder)trans-79.3132.7168.2176.7158.6000108.1Y89 P92 A116 D140 V141 F143Y89-L114 HydrophobicContact CE2-CD1 3.76Å; Y89-L114 HydrophobicContact CE2-CD2 4.35Å; Y89-L114 HydrophobicContact CE2-CG 3.85Å; P92-L114 HydrophobicContact CB-CB 4.19Å; L114-A116 HydrophobicContact CD2-CB 4.41Å; L114-D140 PolarHBondContact O-N 2.89Å; L114-V141 HydrophobicContact CB-CB 4.17Å; L114-V141 HydrophobicContact CD2-CB 3.92Å; L114-V141 HydrophobicContact CD2-CG1 4.46Å; L114-V141 HydrophobicContact CD2-CG2 4.14Å; L114-V141 PolarHBondContact N-O 3.06Å; L114-V141 WeakPolarHBondContact O-CB 3.31Å; L114-V141 PolarHBondContact O-N 3.08Å; L114-F143 HydrophobicContact CD1-CD1 4.42Å; L114-F143 HydrophobicContact CD1-CE1 4.27Å
115S94.3Very high90.9Very high21 Ų2129.2 Ų29.215%0.14716%0.16CC..EExtended strand (participates in β ladder)trans-125.9147.1168.3-600000110.1T90 L138 D139T90-S115 PolarHBondContact N-O 2.87Å; T90-S115 PolarHBondContact O-N 3.23Å; T90-S115 VanDerWaalsContact O-N 3.16Å; S115-L138 CarbonylContact C-O 3.57Å; S115-L138 WeakPolarHBondContact CA-O 3.39Å; S115-L138 VanDerWaalsContact CB-O 3.24Å; S115-L138 WeakPolarHBondContact CB-O 3.09Å; S115-D139 VanDerWaalsContact CB-OD1 3.29Å; S115-D139 WeakPolarHBondContact CB-OD1 3.37Å; S115-D139 PolarHBondContact OG-OD1 3.17Å
116A92.7Very high89.5Confident7 Ų729.4 Ų29.46%0.05816%0.161CC..EExtended strand (participates in β ladder)trans-149.3131.5179.800000111.8R88 Y89 L114 I118 L138R88-A116 CarbonylContact O-C 3.58Å; R88-A116 VanDerWaalsContact O-CA 3.3Å; R88-A116 WeakPolarHBondContact O-CA 3.44Å; Y89-A116 HydrophobicContact CD2-CB 4.49Å; L114-A116 HydrophobicContact CD2-CB 4.41Å; A116-I118 HydrophobicContact CB-CD1 4.43Å; A116-I118 HydrophobicContact CB-CG1 4.2Å; A116-L138 HydrophobicContact CB-CB 4.49Å; A116-L138 HydrophobicContact CB-CD1 4.5Å; A116-L138 PolarHBondContact N-O 2.74Å; A116-L138 WeakPolarHBondContact O-CB 3.29Å; A116-L138 PolarHBondContact O-N 2.87Å
117E93.3Very high87.9Confident73 Ų7337.1 Ų37.134%0.34120%0.202SC..EExtended strand (participates in β ladder)trans-94121.5167.2-57.5169-156.200107D87 R88 F136D87-E117 PolarHBondContact N-O 2.89Å; R88-E117 HydrophobicContact CB-CB 3.79Å; R88-E117 HydrophobicContact CB-CG 3.94Å; R88-E117 VanDerWaalsContact CD-CD 3.43Å; R88-E117 WeakPolarHBondContact CD-OE1 3.48Å; R88-E117 IonicContact CZ-OE1 2.73Å; R88-E117 PolarHBondContact N-O 3.28Å; R88-E117 VanDerWaalsContact N-O 3.1Å; R88-E117 IonicContact NE-OE1 3.65Å; R88-E117 IonicContact NH1-OE1 2.83Å; R88-E117 PolarHBondContact NH1-OE1 2.97Å; R88-E117 PolarHBondContact O-N 3.48Å; E117-F136 WeakPolarHBondContact CA-O 3.47Å
118I90.5Very high86.3Confident9 Ų942.5 Ų42.55%0.04623%0.23CC..EExtended strand (participates in β ladder)trans-125.5133.6-174.4-58.9177.2000108.7L84 Q85 V86 A116 Y135 F136 L138 F200L84-I118 HydrophobicContact CD1-CG2 3.96Å; L84-I118 HydrophobicContact CD2-CG2 3.7Å; L84-I118 HydrophobicContact CG-CG2 3.47Å; L84-I118 VanDerWaalsContact CG-CG2 3.47Å; Q85-I118 VanDerWaalsContact O-CA 3.29Å; Q85-I118 WeakPolarHBondContact O-CA 3.09Å; Q85-I118 VanDerWaalsContact O-CG2 3.28Å; Q85-I118 WeakPolarHBondContact O-CG2 3.39Å; V86-I118 HydrophobicContact CG2-CG1 4.42Å; A116-I118 HydrophobicContact CB-CD1 4.43Å; A116-I118 HydrophobicContact CB-CG1 4.2Å; I118-Y135 CarbonylContact O-C 3.54Å; I118-Y135 VanDerWaalsContact O-CA 3.31Å; I118-Y135 WeakPolarHBondContact O-CA 3.34Å; I118-F136 HydrophobicContact CB-CB 4.22Å; I118-F136 HydrophobicContact CB-CD2 4.37Å; I118-F136 HydrophobicContact CG2-CD2 4.2Å; I118-F136 PolarHBondContact N-O 2.95Å; I118-F136 PolarHBondContact O-N 3.42Å; I118-L138 HydrophobicContact CD1-CD1 3.58Å; I118-F200 HydrophobicContact CD1-CZ 4.42Å
119S90.4Very high84.7Confident12 Ų1241 Ų418%0.08423%0.226CC..EExtended strand (participates in β ladder)trans-109.3150.5169.2520000111.2L84 Q85 D87 I134L84-S119 CarbonylContact C-O 3.43Å; L84-S119 VanDerWaalsContact CA-O 3.28Å; L84-S119 WeakPolarHBondContact CA-O 3.34Å; Q85-S119 WeakPolarHBondContact CG-OG 3.44Å; Q85-S119 PolarHBondContact N-O 3.45Å; Q85-S119 PolarHBondContact NE2-OG 2.93Å; Q85-S119 PolarHBondContact O-N 3.31Å; D87-S119 PolarHBondContact OD1-OG 2.9Å; D87-S119 WeakPolarHBondContact OD2-CB 3.5Å; D87-S119 PolarHBondContact OD2-N 2.88Å; D87-S119 PolarHBondContact OD2-OG 3.41Å; S119-I134 CarbonylContact C-O 3.55Å; S119-I134 VanDerWaalsContact CA-O 3.29Å; S119-I134 WeakPolarHBondContact CA-O 3.49Å
120A88Confident83.5Confident2 Ų243.7 Ų43.72%0.01725%0.245CC..EExtended strand (participates in β ladder)trans-146.1156170.400000110.2V81 L84 N133 I134 F136V81-A120 HydrophobicContact CG1-CB 3.62Å; L84-A120 HydrophobicContact CB-CB 4.12Å; A120-N133 WeakPolarHBondContact O-CA 3.45Å; A120-I134 PolarHBondContact N-O 2.93Å; A120-I134 PolarHBondContact O-N 3.25Å; A120-F136 HydrophobicContact CB-CE2 4.09Å
121F87.2Confident82.7Confident75 Ų7543.9 Ų43.933%0.32925%0.252SS..EExtended strand (participates in β ladder)trans-94.3121.1177-175.3-109.1000110.7V81 Q82V81-F121 WeakPolarHBondContact CA-O 3.27Å; Q82-F121 PolarHBondContact N-O 2.96Å; Q82-F121 PolarHBondContact O-N 3.23Å
122L82.9Confident82.1Confident15 Ų1545.2 Ų45.28%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-91.1111171.5-177.969.3000109.3Y79 E80 V81 S131 Q132 I134Y79-L122 HydrophobicContact CD2-CD1 3.73Å; Y79-L122 HydrophobicContact CG-CD1 4.25Å; E80-L122 CarbonylContact O-C 3.58Å; E80-L122 WeakPolarHBondContact O-CA 2.96Å; V81-L122 HydrophobicContact CG2-CD1 3.84Å; L122-S131 CarbonylContact O-C 3.56Å; L122-S131 WeakPolarHBondContact O-CA 3.26Å; L122-S131 VanDerWaalsContact O-CB 3.24Å; L122-S131 WeakPolarHBondContact O-CB 3.44Å; L122-Q132 WeakPolarHBondContact CB-O 3.34Å; L122-Q132 HydrophobicContact CD2-CG 4.43Å; L122-Q132 PolarHBondContact N-O 3.03Å; L122-Q132 PolarHBondContact O-N 3.43Å; L122-I134 HydrophobicContact CB-CD1 3.63Å; L122-I134 HydrophobicContact CB-CG1 3.9Å; L122-I134 HydrophobicContact CD1-CD1 4.11Å; L122-I134 HydrophobicContact CD2-CD1 4.08Å; L122-I134 HydrophobicContact CG-CD1 4.14Å
123S81.9Confident81.7Confident29 Ų2947.3 Ų47.320%0.20327%0.269CS..EExtended strand (participates in β ladder)trans-93.6135.1169.787.90000110.3Y79 E80 S131Y79-S123 CarbonylContact C-O 3.56Å; Y79-S123 VanDerWaalsContact CA-O 3.28Å; Y79-S123 WeakPolarHBondContact CA-O 3.34Å; E80-S123 WeakPolarHBondContact CB-OG 3.46Å; E80-S123 PolarHBondContact N-O 3.37Å; E80-S123 PolarHBondContact O-N 3.28Å; S123-S131 WeakPolarHBondContact CA-OG 3.18Å
124S74.9Confident81.2Confident23 Ų2347 Ų4716%0.16127%0.265CS..EExtended strand (participates in β ladder)trans-146.3145.9173-172.70000111.1S78 S126 F129 S131S78-S124 PolarHBondContact O-OG 3.11Å; S78-S124 VanDerWaalsContact O-OG 3.12Å; S124-S126 VanDerWaalsContact C-N 3.29Å; S124-S126 PolarHBondContact OG-N 2.75Å; S124-F129 WeakPolarHBondContact CB-O 3.37Å; S124-S131 PolarHBondContact N-OG 3.46Å; S124-S131 VanDerWaalsContact N-OG 3.15Å
125S70.4Confident81Confident96 Ų9649.9 Ų49.967%0.67128%0.275SS*.  trans-85.51.417657.60000113.4
126S66.5Low80.6Confident9 Ų949.2 Ų49.26%0.06327%0.27CS..  trans-89.6131.2-175.5-173.80000112.2S124 L128 F129S124-S126 VanDerWaalsContact C-N 3.29Å; S124-S126 PolarHBondContact OG-N 2.75Å; S126-L128 PolarHBondContact O-N 2.87Å; S126-L128 PolarHBondContact OG-N 2.73Å; S126-F129 CarbonylContact O-C 3.3Å; S126-F129 VanDerWaalsContact O-C 3.3Å; S126-F129 PolarHBondContact O-N 2.97Å; S126-F129 VanDerWaalsContact O-N 3.16Å; S126-F129 VanDerWaalsContact O-O 3.1Å; S126-F129 WeakPolarHBondContact OG-CD2 3.36Å
127L65.1Low80.5Confident181 Ų18151.8 Ų51.895%0.94828%0.282SS*.THydrogen-bonded Turntrans-64.4-23.1171-155.577000112.6
128L62.5Low80.3Confident134 Ų13448.6 Ų48.670%0.70227%0.268SS*.THydrogen-bonded Turntrans-83.9-15.6177.5-63.6173.1000113.3S126S126-L128 PolarHBondContact O-N 2.87Å; S126-L128 PolarHBondContact OG-N 2.73Å
129F65.9Low80.4Confident55 Ų5551.4 Ų51.424%0.24128%0.283CS..SBendtrans-133.577.3-178.8-53.7-72.8000108S124 S126 I184S124-F129 WeakPolarHBondContact CB-O 3.37Å; S126-F129 CarbonylContact O-C 3.3Å; S126-F129 VanDerWaalsContact O-C 3.3Å; S126-F129 PolarHBondContact O-N 2.97Å; S126-F129 VanDerWaalsContact O-N 3.16Å; S126-F129 VanDerWaalsContact O-O 3.1Å; S126-F129 WeakPolarHBondContact OG-CD2 3.36Å; F129-I184 HydrophobicContact CD1-CD1 4.41Å; F129-I184 HydrophobicContact CD1-CG1 4.19Å; F129-I184 HydrophobicContact CE1-CG1 4.04Å
130P70.7Confident80.5Confident80 Ų8054.2 Ų54.252%0.51930%0.297SS..  trans-59.3151.8179.526.3-33.9000110.6Q132P130-Q132 PolarHBondContact O-N 3.35Å
131S79.4Confident80.7Confident57 Ų5754.4 Ų54.440%0.39930%0.298SS..  trans-64.5136174.5-56.40000109.7L122 S123 S124L122-S131 CarbonylContact O-C 3.56Å; L122-S131 WeakPolarHBondContact O-CA 3.26Å; L122-S131 VanDerWaalsContact O-CB 3.24Å; L122-S131 WeakPolarHBondContact O-CB 3.44Å; S123-S131 WeakPolarHBondContact CA-OG 3.18Å; S124-S131 PolarHBondContact N-OG 3.46Å; S124-S131 VanDerWaalsContact N-OG 3.15Å
132Q84.2Confident81.1Confident28 Ų2852.7 Ų52.713%0.13129%0.293CS..EExtended strand (participates in β ladder)trans-156.4161.3-170.962.2-170.9-43.400110.8L122 P130L122-Q132 WeakPolarHBondContact CB-O 3.34Å; L122-Q132 HydrophobicContact CD2-CG 4.43Å; L122-Q132 PolarHBondContact N-O 3.03Å; L122-Q132 PolarHBondContact O-N 3.43Å; P130-Q132 PolarHBondContact O-N 3.35Å
133N86.8Confident81.6Confident60 Ų6053.3 Ų53.332%0.32130%0.295SS..EExtended strand (participates in β ladder)trans-78.5142.2169.9-56.4-52.3000110.2A120 Y135 T175 D176A120-N133 WeakPolarHBondContact O-CA 3.45Å; N133-Y135 HydrophobicContact CB-CE2 4.26Å; N133-T175 WeakPolarHBondContact O-CA 3.44Å; N133-D176 VanDerWaalsContact CB-OD2 3.29Å; N133-D176 WeakPolarHBondContact CB-OD2 3.32Å; N133-D176 PolarHBondContact ND2-OD2 2.97Å; N133-D176 PolarHBondContact O-N 3.46Å; N133-D176 VanDerWaalsContact O-N 3.1Å
134I84.2Confident82.3Confident0 Ų053.2 Ų53.20%029%0.294CS..EExtended strand (participates in β ladder)trans-111.3137.1169.1-52.6167.7000107.2S119 A120 L122 F136 V173 S174 T175 I192S119-I134 CarbonylContact C-O 3.55Å; S119-I134 VanDerWaalsContact CA-O 3.29Å; S119-I134 WeakPolarHBondContact CA-O 3.49Å; A120-I134 PolarHBondContact N-O 2.93Å; A120-I134 PolarHBondContact O-N 3.25Å; L122-I134 HydrophobicContact CB-CD1 3.63Å; L122-I134 HydrophobicContact CB-CG1 3.9Å; L122-I134 HydrophobicContact CD1-CD1 4.11Å; L122-I134 HydrophobicContact CD2-CD1 4.08Å; L122-I134 HydrophobicContact CG-CD1 4.14Å; I134-F136 HydrophobicContact CB-CE2 4.18Å; I134-F136 HydrophobicContact CB-CZ 4.08Å; I134-F136 HydrophobicContact CD1-CZ 4.48Å; I134-F136 HydrophobicContact CG2-CD1 4.45Å; I134-F136 HydrophobicContact CG2-CE1 3.75Å; I134-F136 HydrophobicContact CG2-CE2 3.86Å; I134-F136 HydrophobicContact CG2-CZ 3.44Å; I134-F136 VanDerWaalsContact CG2-CZ 3.44Å; I134-V173 HydrophobicContact CG2-CG1 3.46Å; I134-V173 VanDerWaalsContact CG2-CG1 3.46Å; I134-S174 CarbonylContact C-O 3.58Å; I134-S174 WeakPolarHBondContact CA-O 3.29Å; I134-S174 WeakPolarHBondContact CG2-O 3.41Å; I134-T175 HydrophobicContact CG1-CG2 4.1Å; I134-T175 HydrophobicContact CG2-CG2 4.42Å; I134-I192 HydrophobicContact CD1-CD1 3.82Å
135Y88.4Confident83.3Confident81 Ų8152.7 Ų52.732%0.31829%0.29SS..EExtended strand (participates in β ladder)trans-112.9136.4172-48.3-88.6000109.7I118 N133 V173 S174 D176I118-Y135 CarbonylContact O-C 3.54Å; I118-Y135 VanDerWaalsContact O-CA 3.31Å; I118-Y135 WeakPolarHBondContact O-CA 3.34Å; N133-Y135 HydrophobicContact CB-CE2 4.26Å; Y135-V173 WeakPolarHBondContact O-CA 3.29Å; Y135-S174 PolarHBondContact N-O 3.4Å; Y135-S174 PolarHBondContact O-N 2.73Å; Y135-D176 WeakPolarHBondContact CE2-OD1 3.3Å; Y135-D176 PolarHBondContact OH-OD1 3.36Å; Y135-D176 PolarHBondContact OH-OD2 3.27Å
136F87.2Confident84.6Confident8 Ų848.1 Ų48.14%0.03526%0.258CS..EExtended strand (participates in β ladder)trans-115.3121.5175.2-52.7-81.6000108E117 I118 A120 I134 L171 D172 V173 I192 V196E117-F136 WeakPolarHBondContact CA-O 3.47Å; I118-F136 HydrophobicContact CB-CB 4.22Å; I118-F136 HydrophobicContact CB-CD2 4.37Å; I118-F136 HydrophobicContact CG2-CD2 4.2Å; I118-F136 PolarHBondContact N-O 2.95Å; I118-F136 PolarHBondContact O-N 3.42Å; A120-F136 HydrophobicContact CB-CE2 4.09Å; I134-F136 HydrophobicContact CB-CE2 4.18Å; I134-F136 HydrophobicContact CB-CZ 4.08Å; I134-F136 HydrophobicContact CD1-CZ 4.48Å; I134-F136 HydrophobicContact CG2-CD1 4.45Å; I134-F136 HydrophobicContact CG2-CE1 3.75Å; I134-F136 HydrophobicContact CG2-CE2 3.86Å; I134-F136 HydrophobicContact CG2-CZ 3.44Å; I134-F136 VanDerWaalsContact CG2-CZ 3.44Å; F136-L171 HydrophobicContact CB-CD1 4.15Å; F136-L171 HydrophobicContact CD1-CD1 4.27Å; F136-D172 WeakPolarHBondContact CA-O 3.4Å; F136-V173 HydrophobicContact CD1-CB 4.44Å; F136-V173 HydrophobicContact CD1-CG1 4.03Å; F136-V173 HydrophobicContact CD1-CG2 3.87Å; F136-V173 HydrophobicContact CE1-CG1 3.71Å; F136-V173 HydrophobicContact CE1-CG2 4.06Å; F136-I192 HydrophobicContact CE1-CG2 3.59Å; F136-I192 HydrophobicContact CZ-CG2 3.83Å; F136-V196 HydrophobicContact CD1-CG2 3.8Å; F136-V196 HydrophobicContact CE1-CG2 3.39Å; F136-V196 HydrophobicContact CZ-CG2 3.87Å
137D90.2Very high86.1Confident60 Ų6049.7 Ų49.732%0.32126%0.263SS..EExtended strand (participates in β ladder)trans-101.8110.1168.8-160.8-3.3000108.5L171 D172D137-L171 WeakPolarHBondContact O-CA 3.24Å; D137-D172 HydrophobicContact CB-CB 4.33Å; D137-D172 PolarHBondContact N-O 3.02Å; D137-D172 PolarHBondContact O-N 3.34Å
138L90Very high87.6Confident7 Ų741 Ų414%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-98.4122.3177.9-68.6173.9000108.7S115 A116 I118 V141 Y168 L171 F200S115-L138 CarbonylContact C-O 3.57Å; S115-L138 WeakPolarHBondContact CA-O 3.39Å; S115-L138 VanDerWaalsContact CB-O 3.24Å; S115-L138 WeakPolarHBondContact CB-O 3.09Å; A116-L138 HydrophobicContact CB-CB 4.49Å; A116-L138 HydrophobicContact CB-CD1 4.5Å; A116-L138 PolarHBondContact N-O 2.74Å; A116-L138 WeakPolarHBondContact O-CB 3.29Å; A116-L138 PolarHBondContact O-N 2.87Å; I118-L138 HydrophobicContact CD1-CD1 3.58Å; L138-V141 HydrophobicContact CB-CG2 3.96Å; L138-Y168 HydrophobicContact CD2-CD1 4.06Å; L138-L171 HydrophobicContact CD2-CB 4.24Å; L138-L171 HydrophobicContact CD2-CD1 3.47Å; L138-L171 VanDerWaalsContact CD2-CD1 3.47Å; L138-L171 HydrophobicContact CD2-CD2 4.37Å; L138-L171 HydrophobicContact CD2-CG 4.19Å; L138-L171 HydrophobicContact CG-CD1 4.28Å; L138-F200 HydrophobicContact CD1-CE2 4.18Å; L138-F200 HydrophobicContact CD1-CZ 4.18Å
139D92Very high89.3Confident68 Ų6835.6 Ų35.636%0.36419%0.189SC..EExtended strand (participates in β ladder)trans-124.7137.6-176.8-104.7-16.7000113.8S115 V141 G169 A170S115-D139 VanDerWaalsContact CB-OD1 3.29Å; S115-D139 WeakPolarHBondContact CB-OD1 3.37Å; S115-D139 PolarHBondContact OG-OD1 3.17Å; D139-V141 VanDerWaalsContact C-N 3.31Å; D139-V141 PolarHBondContact O-N 3.41Å; D139-G169 WeakPolarHBondContact O-CA 3.39Å; D139-G169 PolarHBondContact O-N 2.74Å; D139-A170 HydrophobicContact CB-CB 4.04Å; D139-A170 PolarHBondContact N-O 3.46Å; D139-A170 PolarHBondContact O-N 3Å; D139-A170 VanDerWaalsContact O-N 3.15Å
140D92.7Very high90.7Very high71 Ų7137.2 Ų37.238%0.3819%0.194SC..EExtended strand (participates in β ladder)trans50.344.3-179.7-158.139.6000113.9R93 G113 L114 V142R93-D140 IonicContact CZ-OD1 2.77Å; R93-D140 IonicContact NH2-OD1 2.85Å; R93-D140 PolarHBondContact NH2-OD1 3.33Å; R93-D140 IonicContact NH2-OD2 3.24Å; G113-D140 WeakPolarHBondContact CA-OD1 3.47Å; G113-D140 PolarHBondContact N-OD1 2.83Å; L114-D140 PolarHBondContact O-N 2.89Å; D140-V142 PolarHBondContact O-N 3.29Å
141V92.3Very high91.9Very high6 Ų636.4 Ų36.44%0.03619%0.185CC..EExtended strand (participates in β ladder)trans-66130177.6-178.20000110.6G113 L114 L138 D139 D167 Y168G113-V141 PolarHBondContact N-O 3.15Å; L114-V141 HydrophobicContact CB-CB 4.17Å; L114-V141 HydrophobicContact CD2-CB 3.92Å; L114-V141 HydrophobicContact CD2-CG1 4.46Å; L114-V141 HydrophobicContact CD2-CG2 4.14Å; L114-V141 PolarHBondContact N-O 3.06Å; L114-V141 WeakPolarHBondContact O-CB 3.31Å; L114-V141 PolarHBondContact O-N 3.08Å; L138-V141 HydrophobicContact CB-CG2 3.96Å; D139-V141 VanDerWaalsContact C-N 3.31Å; D139-V141 PolarHBondContact O-N 3.41Å; V141-D167 CarbonylContact C-O 3.52Å; V141-D167 WeakPolarHBondContact CA-O 3.45Å; V141-Y168 HydrophobicContact CG1-CD1 4.28Å; V141-Y168 HydrophobicContact CG1-CE1 4.48Å; V141-Y168 HydrophobicContact CG2-CD1 4.01Å
142V94.7Very high92.6Very high38 Ų3834.3 Ų34.323%0.2317%0.172CC..EExtended strand (participates in β ladder)trans-108.7128.6172.3-175.30000108.4G111 D140 F166 D167G111-V142 CarbonylContact O-C 3.5Å; G111-V142 WeakPolarHBondContact O-CA 3.45Å; D140-V142 PolarHBondContact O-N 3.29Å; V142-F166 CarbonylContact O-C 3.52Å; V142-F166 WeakPolarHBondContact O-CA 3.42Å; V142-D167 HydrophobicContact CB-CB 4.25Å; V142-D167 PolarHBondContact N-O 3.37Å; V142-D167 PolarHBondContact O-N 3.09Å
143F94.2Very high92.8Very high28 Ų2838.1 Ų38.112%0.12320%0.199CC..EExtended strand (participates in β ladder)trans-125.2142.1176.865.8-89.9000111.1P92 V95 L109 H110 G111 L114 N165 F166P92-F143 HydrophobicContact CB-CE1 4.32Å; P92-F143 HydrophobicContact CG-CE1 4.12Å; P92-F143 HydrophobicContact CG-CZ 4.47Å; V95-F143 HydrophobicContact CG1-CZ 4.33Å; L109-F143 HydrophobicContact CD2-CE2 4.08Å; L109-F143 HydrophobicContact CG-CE2 3.99Å; H110-F143 WeakPolarHBondContact CA-O 3.48Å; G111-F143 PolarHBondContact N-O 2.83Å; G111-F143 PolarHBondContact O-N 2.73Å; L114-F143 HydrophobicContact CD1-CD1 4.42Å; L114-F143 HydrophobicContact CD1-CE1 4.27Å; F143-N165 WeakPolarHBondContact CA-O 3.46Å; F143-F166 HydrophobicContact CB-CD1 3.62Å; F143-F166 HydrophobicContact CB-CE1 3.66Å
144T95.9Very high93Very high27 Ų2739 Ų3917%0.16622%0.215CC..EExtended strand (participates in β ladder)trans-130.9122175.1-61.60000109.5R108 L109 E163 C164 N165R108-T144 HydrophobicContact CG-CG2 3.87Å; L109-T144 CarbonylContact O-C 3.51Å; L109-T144 WeakPolarHBondContact O-CA 3.4Å; T144-E163 HydrophobicContact CG2-CG 4.43Å; T144-C164 CarbonylContact O-C 3.45Å; T144-C164 VanDerWaalsContact O-CA 3.31Å; T144-C164 WeakPolarHBondContact O-CA 3.32Å; T144-N165 PolarHBondContact N-O 2.79Å; T144-N165 PolarHBondContact O-N 3.2Å
145V96.3Very high93.5Very high13 Ų1343.1 Ų43.18%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-130.9127175.2-173.90000108.4L109 F147 I161 E163L109-V145 WeakPolarHBondContact CA-O 3.46Å; L109-V145 HydrophobicContact CB-CB 4.44Å; L109-V145 VanDerWaalsContact CB-O 3.32Å; L109-V145 WeakPolarHBondContact CB-O 3.15Å; L109-V145 PolarHBondContact N-O 2.87Å; L109-V145 PolarHBondContact O-N 3.29Å; V145-F147 HydrophobicContact CB-CE2 4.18Å; V145-F147 HydrophobicContact CB-CZ 4.19Å; V145-F147 HydrophobicContact CG1-CE1 4.07Å; V145-F147 HydrophobicContact CG1-CE2 3.83Å; V145-F147 HydrophobicContact CG1-CZ 3.5Å; V145-F147 VanDerWaalsContact CG1-CZ 3.5Å; V145-F147 WeakPolarHBondContact O-CE2 3.4Å; V145-I161 HydrophobicContact CG1-CG1 4.49Å; V145-I161 HydrophobicContact CG1-CG2 3.74Å; V145-E163 WeakPolarHBondContact CA-O 3.36Å
146G97.7Very high93.8Very high0 Ų043.1 Ų43.10%024%0.239CC..EExtended strand (participates in β ladder)trans-121.7149.1-17900000112.2L107 I161 T162 E163L107-G146 CarbonylContact O-C 3.47Å; L107-G146 WeakPolarHBondContact O-CA 3.2Å; G146-I161 CarbonylContact O-C 3.58Å; G146-I161 WeakPolarHBondContact O-CA 3.45Å; G146-T162 PolarHBondContact O-N 2.82Å; G146-T162 PolarHBondContact O-OG1 3.4Å; G146-E163 WeakPolarHBondContact CA-OE1 3.47Å; G146-E163 PolarHBondContact N-O 2.88Å
147F97.6Very high94.2Very high41 Ų4144.1 Ų44.118%0.1825%0.248CC..EExtended strand (participates in β ladder)trans-128.2142.3-169.4-51.4-95.9000109.6H106 L107 L109 V145 I159 S160 I161 L216H106-F147 PolarHBondContact N-O 2.88Å; L107-F147 HydrophobicContact CB-CB 4.27Å; L107-F147 HydrophobicContact CB-CD2 4.43Å; L107-F147 PolarHBondContact N-O 3.08Å; L107-F147 PolarHBondContact O-N 3.02Å; L109-F147 HydrophobicContact CB-CE2 3.89Å; V145-F147 HydrophobicContact CB-CE2 4.18Å; V145-F147 HydrophobicContact CB-CZ 4.19Å; V145-F147 HydrophobicContact CG1-CE1 4.07Å; V145-F147 HydrophobicContact CG1-CE2 3.83Å; V145-F147 HydrophobicContact CG1-CZ 3.5Å; V145-F147 VanDerWaalsContact CG1-CZ 3.5Å; V145-F147 WeakPolarHBondContact O-CE2 3.4Å; F147-I159 HydrophobicContact CB-CG2 4.47Å; F147-I159 HydrophobicContact CD1-CG2 4.09Å; F147-S160 CarbonylContact C-O 3.5Å; F147-S160 WeakPolarHBondContact CA-O 3.33Å; F147-I161 HydrophobicContact CD1-CG1 3.63Å; F147-I161 HydrophobicContact CE1-CD1 4.06Å; F147-I161 HydrophobicContact CE1-CG1 3.6Å; F147-L216 HydrophobicContact CD1-CD1 4.25Å; F147-L216 HydrophobicContact CE1-CD1 4.03Å
148A97.7Very high94.5Very high0 Ų042 Ų420%024%0.239CC..EExtended strand (participates in β ladder)trans-125.1138.1168.900000109.7P104 R150 I159 S160 T162P104-A148 WeakPolarHBondContact O-CB 3.16Å; A148-R150 HydrophobicContact CB-CG 4.38Å; A148-I159 WeakPolarHBondContact O-CA 3.44Å; A148-S160 PolarHBondContact N-O 3.26Å; A148-S160 PolarHBondContact O-N 3.2Å; A148-S160 PolarHBondContact O-OG 2.84Å; A148-T162 HydrophobicContact CB-CG2 3.69Å
149I97Very high94.8Very high19 Ų1942.9 Ų42.910%0.09724%0.244CC..EExtended strand (participates in β ladder)trans-100.8118.1173.4-56-179.2000107.5H106 A157 A158 I159 I277 A281 L292 I294H106-I149 PolarHBondContact CE1-O 3.01Å; H106-I149 PolarHBondContact ND1-N 2.77Å; I149-A157 HydrophobicContact CG2-CB 4.23Å; I149-A158 CarbonylContact C-O 3.44Å; I149-A158 WeakPolarHBondContact CA-O 3.36Å; I149-I159 HydrophobicContact CG1-CG1 4.17Å; I149-I277 HydrophobicContact CG2-CD1 4.29Å; I149-A281 HydrophobicContact CB-CB 3.77Å; I149-A281 HydrophobicContact CG2-CB 4.18Å; I149-A281 WeakPolarHBondContact O-CB 3.23Å; I149-A281 PolarHBondContact O-N 3.11Å; I149-L292 HydrophobicContact CD1-CD2 3.86Å; I149-I294 HydrophobicContact CD1-CD1 3.68Å; I149-I294 HydrophobicContact CD1-CG1 4.37Å
150R96Very high94.9Very high90 Ų9040.6 Ų40.634%0.3423%0.233SC..EExtended strand (participates in β ladder)trans-122.4161.6-171.5-64.6-177178.2145.13112A148 G152 A158 S160 D280A148-R150 HydrophobicContact CB-CG 4.38Å; R150-G152 PolarHBondContact O-N 3.43Å; R150-A158 PolarHBondContact N-O 2.88Å; R150-A158 PolarHBondContact O-N 2.89Å; R150-S160 PolarHBondContact NH1-OG 2.81Å; R150-D280 WeakPolarHBondContact CA-OD1 3.33Å
151L95.4Very high95.1Very high63 Ų6337.9 Ų37.933%0.3322%0.218SC..EExtended strand (participates in β ladder)trans-67.7106.3167178.965.5000108.9N155 I277 D280L151-N155 HydrophobicContact CD1-CB 4.15Å; L151-I277 HydrophobicContact CB-CG2 4.42Å; L151-I277 HydrophobicContact CD1-CG2 3.49Å; L151-I277 VanDerWaalsContact CD1-CG2 3.49Å; L151-I277 VanDerWaalsContact CD1-O 3.3Å; L151-I277 WeakPolarHBondContact CD1-O 3.36Å; L151-D280 WeakPolarHBondContact CB-OD1 3.05Å; L151-D280 PolarHBondContact N-OD1 3.21Å
152G93.3Very high95.3Very high12 Ų1239.6 Ų39.612%0.12423%0.229CC..  trans-92.4-175.8177.500000113.6R150 N155 K156R150-G152 PolarHBondContact O-N 3.43Å; G152-N155 PolarHBondContact O-N 2.92Å; G152-K156 WeakPolarHBondContact CA-O 2.97Å; G152-K156 PolarHBondContact N-O 3.41Å
153P90Very high95.3Very high108 Ų10839.6 Ų39.670%0.70123%0.226SC*.G310 helixtrans-54.2143.6177.3-24.534000112.3N155 K156P153-N155 PolarHBondContact O-N 2.98Å; P153-K156 WeakPolarHBondContact O-CB 3.28Å; P153-K156 PolarHBondContact O-N 3.32Å; P153-K156 VanDerWaalsContact O-N 3.14Å
154A91Very high95.4Very high79 Ų7939.2 Ų39.265%0.65323%0.227SC*.G310 helixtrans54.529.7-178.600000114.5K156 H276A154-K156 PolarHBondContact O-N 3.1Å; A154-H276 PolarHBondContact O-CD2 3.32Å
155N94.4Very high95.3Very high87 Ų8742.3 Ų42.347%0.46524%0.242SC..G310 helixtrans6029.3-177.6-55.2-31.1000113.8L151 G152 P153 H276 I277L151-N155 HydrophobicContact CD1-CB 4.15Å; G152-N155 PolarHBondContact O-N 2.92Å; P153-N155 PolarHBondContact O-N 2.98Å; N155-H276 HydrophobicContact CB-CB 3.93Å; N155-H276 CarbonylContact O-C 3.56Å; N155-H276 WeakPolarHBondContact O-CA 3.35Å; N155-H276 VanDerWaalsContact O-CB 3.29Å; N155-H276 WeakPolarHBondContact O-CB 3.45Å; N155-H276 PolarHBondContact O-CD2 3.38Å; N155-I277 PolarHBondContact O-N 3.22Å
156K94.6Very high95.1Very high81 Ų8143.3 Ų43.335%0.35225%0.246SC..  trans-87.9152.1171.1-60.2-165.7174.5-174.10110.1G152 P153 A154 A158 T225G152-K156 WeakPolarHBondContact CA-O 2.97Å; G152-K156 PolarHBondContact N-O 3.41Å; P153-K156 WeakPolarHBondContact O-CB 3.28Å; P153-K156 PolarHBondContact O-N 3.32Å; P153-K156 VanDerWaalsContact O-N 3.14Å; A154-K156 PolarHBondContact O-N 3.1Å; K156-A158 PolarHBondContact O-N 2.94Å; K156-T225 HydrophobicContact CD-CG2 4.49Å; K156-T225 HydrophobicContact CG-CG2 4.13Å
157A95Very high94.7Very high28 Ų2848 Ų4823%0.23127%0.271CS..EExtended strand (participates in β ladder)trans-69.1132171.700000110I149 L220 I277I149-A157 HydrophobicContact CG2-CB 4.23Å; A157-L220 HydrophobicContact CB-CD1 4.04Å; A157-I277 HydrophobicContact CB-CD1 4.35Å
158A96.2Very high94.1Very high17 Ų1746.8 Ų46.814%0.1427%0.265CS..EExtended strand (participates in β ladder)trans-116.1147171.300000109.7I149 R150 K156 T217I149-A158 CarbonylContact C-O 3.44Å; I149-A158 WeakPolarHBondContact CA-O 3.36Å; R150-A158 PolarHBondContact N-O 2.88Å; R150-A158 PolarHBondContact O-N 2.89Å; K156-A158 PolarHBondContact O-N 2.94Å; A158-T217 HydrophobicContact CB-CG2 3.72Å
159I95.8Very high93.5Very high25 Ų2549.4 Ų49.413%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-108.9130171.7-72.9160.6000108.1F147 A148 I149 S213 L216 T217 L220F147-I159 HydrophobicContact CB-CG2 4.47Å; F147-I159 HydrophobicContact CD1-CG2 4.09Å; A148-I159 WeakPolarHBondContact O-CA 3.44Å; I149-I159 HydrophobicContact CG1-CG1 4.17Å; I159-S213 WeakPolarHBondContact O-CB 3.37Å; I159-L216 HydrophobicContact CB-CB 3.93Å; I159-L216 HydrophobicContact CD1-CB 4.14Å; I159-L216 HydrophobicContact CG2-CB 4.01Å; I159-L216 HydrophobicContact CG2-CD1 3.83Å; I159-T217 PolarHBondContact N-OG1 3.36Å; I159-T217 PolarHBondContact O-OG1 2.76Å; I159-T217 VanDerWaalsContact O-OG1 3.04Å; I159-L220 HydrophobicContact CB-CD1 4.44Å; I159-L220 HydrophobicContact CD1-CD1 3.35Å; I159-L220 HydrophobicContact CD1-CD2 4.39Å; I159-L220 HydrophobicContact CD1-CG 3.77Å; I159-L220 HydrophobicContact CG1-CD1 3.45Å; I159-L220 VanDerWaalsContact CG1-CD1 3.45Å; I159-L220 HydrophobicContact CG1-CG 4.38Å
160S95.6Very high92.9Very high19 Ų1950.3 Ų50.313%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-115.7134.4167.557.30000109.8F147 A148 R150 S213F147-S160 CarbonylContact C-O 3.5Å; F147-S160 WeakPolarHBondContact CA-O 3.33Å; A148-S160 PolarHBondContact N-O 3.26Å; A148-S160 PolarHBondContact O-N 3.2Å; A148-S160 PolarHBondContact O-OG 2.84Å; R150-S160 PolarHBondContact NH1-OG 2.81Å; S160-S213 WeakPolarHBondContact CA-OG 3.41Å
161I96.4Very high92.3Very high14 Ų1446.5 Ų46.57%0.07229%0.289CS..EExtended strand (participates in β ladder)trans-81.4114.9166.4-67.8158.6000107.3V145 G146 F147 E163 L208 Q209 S213 L216V145-I161 HydrophobicContact CG1-CG1 4.49Å; V145-I161 HydrophobicContact CG1-CG2 3.74Å; G146-I161 CarbonylContact O-C 3.58Å; G146-I161 WeakPolarHBondContact O-CA 3.45Å; F147-I161 HydrophobicContact CD1-CG1 3.63Å; F147-I161 HydrophobicContact CE1-CD1 4.06Å; F147-I161 HydrophobicContact CE1-CG1 3.6Å; I161-E163 WeakPolarHBondContact CG2-O 3.32Å; I161-L208 HydrophobicContact CD1-CB 4.41Å; I161-L208 WeakPolarHBondContact CD1-O 3.43Å; I161-Q209 HydrophobicContact CB-CG 4.36Å; I161-Q209 HydrophobicContact CG2-CG 3.85Å; I161-S213 PolarHBondContact N-OG 2.99Å; I161-L216 HydrophobicContact CD1-CD1 4.03Å; I161-L216 HydrophobicContact CG1-CD1 4.37Å
162T96.1Very high91.8Very high42 Ų4248.5 Ų48.526%0.25830%0.3SS..EExtended strand (participates in β ladder)trans-100.3-22.1-170.147.70000113.8T105 G146 A148T105-T162 WeakPolarHBondContact CB-OG1 3.47Å; T105-T162 PolarHBondContact OG1-OG1 2.9Å; G146-T162 PolarHBondContact O-N 2.82Å; G146-T162 PolarHBondContact O-OG1 3.4Å; A148-T162 HydrophobicContact CB-CG2 3.69Å
163E95.2Very high91.2Very high39 Ų3948.8 Ų48.818%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-140141.5175.863.9-168.5-165.200107.3T105 R108 T144 V145 G146 I161T105-E163 HydrophobicContact CG2-CG 4.48Å; T105-E163 PolarHBondContact OG1-OE2 2.85Å; R108-E163 VanDerWaalsContact CG-OE1 3.26Å; R108-E163 WeakPolarHBondContact CG-OE1 3.35Å; R108-E163 IonicContact CZ-OE1 3.9Å; R108-E163 IonicContact CZ-OE2 3.92Å; R108-E163 IonicContact NE-OE1 3.51Å; R108-E163 PolarHBondContact NE-OE1 3.11Å; R108-E163 IonicContact NE-OE2 3.24Å; R108-E163 PolarHBondContact NE-OE2 3.32Å; R108-E163 IonicContact NH2-OE1 2.77Å; R108-E163 IonicContact NH2-OE2 2.84Å; R108-E163 PolarHBondContact NH2-OE2 3.12Å; T144-E163 HydrophobicContact CG2-CG 4.43Å; V145-E163 WeakPolarHBondContact CA-O 3.36Å; G146-E163 WeakPolarHBondContact CA-OE1 3.47Å; G146-E163 PolarHBondContact N-O 2.88Å; I161-E163 WeakPolarHBondContact CG2-O 3.32Å
164C95.6Very high90.8Very high19 Ų1946.7 Ų46.713%0.12829%0.287CS..EExtended strand (participates in β ladder)trans-147.9123.4170.6178.40000106T144 C205 Q209T144-C164 CarbonylContact O-C 3.45Å; T144-C164 VanDerWaalsContact O-CA 3.31Å; T144-C164 WeakPolarHBondContact O-CA 3.32Å; C164-C205 HydrophobicContact CB-CB 3.62Å; C164-C205 WeakPolarHBondContact CB-SG 3.34Å; C164-C205 WeakPolarHBondContact SG-CA 3.41Å; C164-C205 WeakPolarHBondContact SG-CB 3.22Å; C164-C205 CovalentContact SG-SG 2.05Å; C164-C205 PolarHBondContact SG-SG 3.14Å; C164-Q209 HydrophobicContact CB-CG 4.27Å
165N94.3Very high90.2Very high93 Ų9344.6 Ų44.650%0.49727%0.266SS..EExtended strand (participates in β ladder)trans-149.5141.8179.1-168.557.4000109.7F143 T144F143-N165 WeakPolarHBondContact CA-O 3.46Å; T144-N165 PolarHBondContact N-O 2.79Å; T144-N165 PolarHBondContact O-N 3.2Å
166F91.3Very high89.1Confident34 Ų3444.3 Ų44.315%0.14927%0.265CS..EExtended strand (participates in β ladder)trans-125.1136.9172-65.1-88.3000108.1V142 F143 Y168 V204 L208V142-F166 CarbonylContact O-C 3.52Å; V142-F166 WeakPolarHBondContact O-CA 3.42Å; F143-F166 HydrophobicContact CB-CD1 3.62Å; F143-F166 HydrophobicContact CB-CE1 3.66Å; F166-Y168 HydrophobicContact CB-CE1 4.18Å; F166-Y168 HydrophobicContact CB-CE2 4.04Å; F166-Y168 WeakPolarHBondContact CB-OH 3.43Å; F166-V204 HydrophobicContact CE2-CG1 4.1Å; F166-V204 HydrophobicContact CZ-CG1 4.2Å; F166-L208 HydrophobicContact CZ-CD1 4.45Å
167D91.1Very high87.5Confident99 Ų9942.6 Ų42.653%0.52927%0.27SS..EExtended strand (participates in β ladder)trans-127.1138.4173.5-169.87.6000107.5V141 V142V141-D167 CarbonylContact C-O 3.52Å; V141-D167 WeakPolarHBondContact CA-O 3.45Å; V142-D167 HydrophobicContact CB-CB 4.25Å; V142-D167 PolarHBondContact N-O 3.37Å; V142-D167 PolarHBondContact O-N 3.09Å
168Y84.4Confident85.3Confident15 Ų1547.5 Ų47.56%0.05930%0.303CS..  trans-124.3125.2-169.2-40.8-100.6000108.2L138 V141 F166 R197 F200 D201L138-Y168 HydrophobicContact CD2-CD1 4.06Å; V141-Y168 HydrophobicContact CG1-CD1 4.28Å; V141-Y168 HydrophobicContact CG1-CE1 4.48Å; V141-Y168 HydrophobicContact CG2-CD1 4.01Å; F166-Y168 HydrophobicContact CB-CE1 4.18Å; F166-Y168 HydrophobicContact CB-CE2 4.04Å; F166-Y168 WeakPolarHBondContact CB-OH 3.43Å; Y168-R197 HydrophobicContact CD2-CG 4.42Å; Y168-R197 HydrophobicContact CE2-CG 4.42Å; Y168-F200 HydrophobicContact CE1-CB 4.37Å; Y168-F200 HydrophobicContact CE1-CD2 4.19Å; Y168-F200 HydrophobicContact CE1-CG 4.36Å; Y168-F200 WeakPolarHBondContact OH-CB 3.26Å; Y168-D201 WeakPolarHBondContact CE2-OD1 3.49Å; Y168-D201 PolarHBondContact OH-OD1 3.45Å
169G84.7Confident82.9Confident55 Ų5549.6 Ų49.657%0.56732%0.316SS*.SBendtrans-66.9-69.2175.500000111D139D139-G169 WeakPolarHBondContact O-CA 3.39Å; D139-G169 PolarHBondContact O-N 2.74Å
170A84.2Confident80.6Confident38 Ų3857.8 Ų57.831%0.31435%0.354SS..EExtended strand (participates in β ladder)trans-123.4144.2173.300000110.3D139D139-A170 HydrophobicContact CB-CB 4.04Å; D139-A170 PolarHBondContact N-O 3.46Å; D139-A170 PolarHBondContact O-N 3Å; D139-A170 VanDerWaalsContact O-N 3.15Å
171L84.5Confident78.1Confident9 Ų962.8 Ų62.85%0.04739%0.389CS..EExtended strand (participates in β ladder)trans-135.1103.3171.5166.256.6000107.4F136 D137 L138 V173 E193 V196 R197F136-L171 HydrophobicContact CB-CD1 4.15Å; F136-L171 HydrophobicContact CD1-CD1 4.27Å; D137-L171 WeakPolarHBondContact O-CA 3.24Å; L138-L171 HydrophobicContact CD2-CB 4.24Å; L138-L171 HydrophobicContact CD2-CD1 3.47Å; L138-L171 VanDerWaalsContact CD2-CD1 3.47Å; L138-L171 HydrophobicContact CD2-CD2 4.37Å; L138-L171 HydrophobicContact CD2-CG 4.19Å; L138-L171 HydrophobicContact CG-CD1 4.28Å; L171-V173 HydrophobicContact CD1-CG2 4.43Å; L171-E193 HydrophobicContact CB-CG 4.36Å; L171-E193 HydrophobicContact CD2-CB 4.38Å; L171-E193 HydrophobicContact CD2-CG 3.5Å; L171-E193 VanDerWaalsContact CD2-CG 3.5Å; L171-E193 HydrophobicContact CG-CG 3.84Å; L171-V196 HydrophobicContact CD1-CG1 4.45Å; L171-V196 HydrophobicContact CD2-CB 4.1Å; L171-V196 HydrophobicContact CD2-CG1 3.86Å; L171-R197 HydrophobicContact CD2-CG 4.05Å
172D83.8Confident75.8Confident105 Ų10563.3 Ų63.356%0.56140%0.398SS*.EExtended strand (participates in β ladder)trans-100136.8177.8-68.1-30.8000109.8F136 D137F136-D172 WeakPolarHBondContact CA-O 3.4Å; D137-D172 HydrophobicContact CB-CB 4.33Å; D137-D172 PolarHBondContact N-O 3.02Å; D137-D172 PolarHBondContact O-N 3.34Å
173V80.8Confident73.4Confident18 Ų1868.5 Ų68.511%0.10942%0.424CS..EExtended strand (participates in β ladder)trans-119.3124.3-179.9-1700000108.8I134 Y135 F136 L171 V188 I192 E193I134-V173 HydrophobicContact CG2-CG1 3.46Å; I134-V173 VanDerWaalsContact CG2-CG1 3.46Å; Y135-V173 WeakPolarHBondContact O-CA 3.29Å; F136-V173 HydrophobicContact CD1-CB 4.44Å; F136-V173 HydrophobicContact CD1-CG1 4.03Å; F136-V173 HydrophobicContact CD1-CG2 3.87Å; F136-V173 HydrophobicContact CE1-CG1 3.71Å; F136-V173 HydrophobicContact CE1-CG2 4.06Å; L171-V173 HydrophobicContact CD1-CG2 4.43Å; V173-V188 HydrophobicContact CB-CG1 4.24Å; V173-V188 HydrophobicContact CG1-CG1 3.64Å; V173-I192 HydrophobicContact CG1-CG2 4.42Å; V173-E193 HydrophobicContact CG2-CB 4.39Å
174S81Confident71.2Confident65 Ų6569 Ų6946%0.45543%0.427SS..EExtended strand (participates in β ladder)trans-130.7161.9176.864.40000111.3I134 Y135I134-S174 CarbonylContact C-O 3.58Å; I134-S174 WeakPolarHBondContact CA-O 3.29Å; I134-S174 WeakPolarHBondContact CG2-O 3.41Å; Y135-S174 PolarHBondContact N-O 3.4Å; Y135-S174 PolarHBondContact O-N 2.73Å
175T78.4Confident69.2Low34 Ų3468.9 Ų68.921%0.20943%0.429CS..EExtended strand (participates in β ladder)trans-133.8157.2-177.857.30000111.8N133 I134 G177 V188N133-T175 WeakPolarHBondContact O-CA 3.44Å; I134-T175 HydrophobicContact CG1-CG2 4.1Å; I134-T175 HydrophobicContact CG2-CG2 4.42Å; T175-G177 VanDerWaalsContact C-N 3.25Å; T175-G177 PolarHBondContact O-N 3.44Å; T175-V188 HydrophobicContact CG2-CG1 4.31Å
176D72.9Confident67.3Low81 Ų8167.7 Ų67.743%0.43343%0.428SS..SBendtrans-65.981.1171.3-79-21.9000110.9N133 Y135N133-D176 VanDerWaalsContact CB-OD2 3.29Å; N133-D176 WeakPolarHBondContact CB-OD2 3.32Å; N133-D176 PolarHBondContact ND2-OD2 2.97Å; N133-D176 PolarHBondContact O-N 3.46Å; N133-D176 VanDerWaalsContact O-N 3.1Å; Y135-D176 WeakPolarHBondContact CE2-OD1 3.3Å; Y135-D176 PolarHBondContact OH-OD1 3.36Å; Y135-D176 PolarHBondContact OH-OD2 3.27Å
177G60.7Low65.5Low46 Ų4668.1 Ų68.147%0.47443%0.431SS..SBendtrans155.4101.4-178.100000111.2T175 S179T175-G177 VanDerWaalsContact C-N 3.25Å; T175-G177 PolarHBondContact O-N 3.44Å; G177-S179 PolarHBondContact O-N 2.92Å
178S47.8Very low64.1Low131 Ų13164 Ų6492%0.91641%0.409SS*.  trans-64.788.8179.956.70000112.1
179S46.8Very low63.1Low60 Ų6066.8 Ų66.842%0.4243%0.426SS..  trans-148.980154.363.20000110.3G177 S181 G182G177-S179 PolarHBondContact O-N 2.92Å; S179-S181 PolarHBondContact O-N 3.09Å; S179-G182 PolarHBondContact O-N 3.25Å
180E47.2Very low62.2Low197 Ų19768.8 Ų68.892%0.92142%0.423SS*.THydrogen-bonded Turntrans-51.4-18.2160.5-69.4-176.7147.200111.8
181S42.7Very low61.4Low124 Ų12468.6 Ų68.687%0.86742%0.418SS*.THydrogen-bonded Turntrans-102.49.7-175.4-370000115.3S179S179-S181 PolarHBondContact O-N 3.09Å
182G48.4Very low60.6Low26 Ų2669 Ų6927%0.26842%0.42SS..SBendtrans-94.5155.4176.700000113S179 I184 G185S179-G182 PolarHBondContact O-N 3.25Å; G182-I184 PolarHBondContact O-N 3.06Å; G182-G185 PolarHBondContact O-N 3.17Å
183L46.4Very low60Low151 Ų15166.4 Ų66.479%0.79140%0.404SS*.Hα-helixtrans-47.8-23.1166.8-73.1165.4000113S186 I187L183-S186 PolarHBondContact O-OG 2.61Å; L183-I187 VanDerWaalsContact O-CD1 3.29Å; L183-I187 WeakPolarHBondContact O-CD1 3.26Å; L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å
184I48.9Very low59.7Low50 Ų5073.3 Ų73.326%0.25643%0.428SS..Hα-helixtrans-68-42.9176.3-58.7175.1000111.5F129 G182 S186 I187 V188F129-I184 HydrophobicContact CD1-CD1 4.41Å; F129-I184 HydrophobicContact CD1-CG1 4.19Å; F129-I184 HydrophobicContact CE1-CG1 4.04Å; G182-I184 PolarHBondContact O-N 3.06Å; I184-S186 PolarHBondContact O-N 3.1Å; I184-I187 PolarHBondContact O-N 3.37Å; I184-V188 HydrophobicContact CG2-CG2 3.86Å; I184-V188 WeakPolarHBondContact O-CB 3.23Å; I184-V188 WeakPolarHBondContact O-CG2 3.17Å; I184-V188 PolarHBondContact O-N 3.26Å
185G53.8Low59.2Low16 Ų1673.6 Ų73.617%0.16542%0.422CS..Hα-helixtrans-64.1-40.1-175.700000113.6G182 V188 N189G182-G185 PolarHBondContact O-N 3.17Å; G185-V188 PolarHBondContact O-N 3.21Å; G185-N189 WeakPolarHBondContact O-CB 3.17Å; G185-N189 VanDerWaalsContact O-CG 3.29Å; G185-N189 PolarHBondContact O-N 3.08Å; G185-N189 PolarHBondContact O-OD1 2.92Å
186S54.4Low59Low68 Ų6872.9 Ų72.948%0.47642%0.417SS..Hα-helixtrans-72.5-29.2178.164.20000113.4L183 I184 N190L183-S186 PolarHBondContact O-OG 2.61Å; I184-S186 PolarHBondContact O-N 3.1Å; S186-N190 WeakPolarHBondContact O-CB 3.44Å; S186-N190 PolarHBondContact O-N 2.85Å; S186-N190 PolarHBondContact O-ND2 2.82Å; S186-N190 VanDerWaalsContact O-ND2 3.15Å
187I53.4Low59.3Low42 Ų4272 Ų7222%0.21541%0.408CS..Hα-helixtrans-73.3-46.5172-65.1168.4000109.7F75 L183 I184 V191F75-I187 HydrophobicContact CD2-CD1 4.24Å; F75-I187 HydrophobicContact CE2-CD1 3.6Å; F75-I187 HydrophobicContact CE2-CG1 4.12Å; F75-I187 HydrophobicContact CZ-CD1 4.34Å; L183-I187 VanDerWaalsContact O-CD1 3.29Å; L183-I187 WeakPolarHBondContact O-CD1 3.26Å; L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; I184-I187 PolarHBondContact O-N 3.37Å; I187-V191 HydrophobicContact CG2-CG2 4.17Å; I187-V191 WeakPolarHBondContact O-CA 3.32Å; I187-V191 WeakPolarHBondContact O-CB 3.34Å; I187-V191 VanDerWaalsContact O-CG2 3.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.25Å; I187-V191 PolarHBondContact O-N 2.78Å
188V59.8Low60.2Low12 Ų1272.1 Ų72.17%0.07340%0.401CS..Iπ-helixtrans-59.8-54.3179.6164.80000110.4V173 T175 I184 G185 I192V173-V188 HydrophobicContact CB-CG1 4.24Å; V173-V188 HydrophobicContact CG1-CG1 3.64Å; T175-V188 HydrophobicContact CG2-CG1 4.31Å; I184-V188 HydrophobicContact CG2-CG2 3.86Å; I184-V188 WeakPolarHBondContact O-CB 3.23Å; I184-V188 WeakPolarHBondContact O-CG2 3.17Å; I184-V188 PolarHBondContact O-N 3.26Å; G185-V188 PolarHBondContact O-N 3.21Å; V188-I192 HydrophobicContact CB-CD1 4.23Å; V188-I192 HydrophobicContact CG1-CD1 4.03Å; V188-I192 HydrophobicContact CG2-CD1 4Å; V188-I192 WeakPolarHBondContact O-CA 3.44Å; V188-I192 WeakPolarHBondContact O-CB 3.49Å; V188-I192 WeakPolarHBondContact O-CG1 3.33Å; V188-I192 PolarHBondContact O-N 2.77Å
189N64.2Low61.7Low75 Ų7566.8 Ų66.840%0.40136%0.361SS..Iπ-helixtrans-60.9-56.5-177.7-680.6000110.7G185 V191 E193G185-N189 WeakPolarHBondContact O-CB 3.17Å; G185-N189 VanDerWaalsContact O-CG 3.29Å; G185-N189 PolarHBondContact O-N 3.08Å; G185-N189 PolarHBondContact O-OD1 2.92Å; N189-V191 PolarHBondContact O-N 3.29Å; N189-E193 WeakPolarHBondContact O-CB 3.21Å; N189-E193 PolarHBondContact O-N 2.93Å; N189-E193 VanDerWaalsContact O-N 3.13Å
190N66.1Low63.2Low97 Ų9765.8 Ų65.852%0.51935%0.35SS..Iπ-helixtrans-73.9-32.5-173.2-68.4-47.5000114.6S186 R194S186-N190 WeakPolarHBondContact O-CB 3.44Å; S186-N190 PolarHBondContact O-N 2.85Å; S186-N190 PolarHBondContact O-ND2 2.82Å; S186-N190 VanDerWaalsContact O-ND2 3.15Å; N190-R194 WeakPolarHBondContact O-CG 3.49Å; N190-R194 PolarHBondContact O-NE 2.89Å; N190-R194 PolarHBondContact O-NH2 2.76Å
191V66.9Low64.9Low33 Ų3359.3 Ų59.320%0.232%0.321CS..Iπ-helixtrans-88.5-43.9-176.6-178.90000110.9I187 N189 K195I187-V191 HydrophobicContact CG2-CG2 4.17Å; I187-V191 WeakPolarHBondContact O-CA 3.32Å; I187-V191 WeakPolarHBondContact O-CB 3.34Å; I187-V191 VanDerWaalsContact O-CG2 3.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.25Å; I187-V191 PolarHBondContact O-N 2.78Å; N189-V191 PolarHBondContact O-N 3.29Å; V191-K195 HydrophobicContact CG1-CD 4.42Å; V191-K195 WeakPolarHBondContact O-CB 3.49Å; V191-K195 WeakPolarHBondContact O-CG 3.41Å; V191-K195 PolarHBondContact O-N 2.88Å; V191-K195 VanDerWaalsContact O-N 3.14Å
192I68.4Low66.8Low17 Ų1757.9 Ų57.99%0.08730%0.304CS..Iπ-helixtrans-77.5-40.7-175.5-51.9-173.9000109.9I134 F136 V173 V188 R194 K195 V196I134-I192 HydrophobicContact CD1-CD1 3.82Å; F136-I192 HydrophobicContact CE1-CG2 3.59Å; F136-I192 HydrophobicContact CZ-CG2 3.83Å; V173-I192 HydrophobicContact CG1-CG2 4.42Å; V188-I192 HydrophobicContact CB-CD1 4.23Å; V188-I192 HydrophobicContact CG1-CD1 4.03Å; V188-I192 HydrophobicContact CG2-CD1 4Å; V188-I192 WeakPolarHBondContact O-CA 3.44Å; V188-I192 WeakPolarHBondContact O-CB 3.49Å; V188-I192 WeakPolarHBondContact O-CG1 3.33Å; V188-I192 PolarHBondContact O-N 2.77Å; I192-R194 PolarHBondContact O-N 3Å; I192-K195 CarbonylContact O-C 3.57Å; I192-K195 PolarHBondContact O-N 3.17Å; I192-K195 VanDerWaalsContact O-N 3.08Å; I192-V196 HydrophobicContact CG2-CG2 4.17Å; I192-V196 VanDerWaalsContact O-CG2 3.3Å; I192-V196 WeakPolarHBondContact O-CG2 3.4Å; I192-V196 PolarHBondContact O-N 2.81Å
193E70.1Confident68.4Low51 Ų5161.7 Ų61.724%0.23831%0.313CS..Hα-helixtrans-56.7-50.7175.3-170.3-162.8159.400111.4L171 V173 N189 K195 V196 R197L171-E193 HydrophobicContact CB-CG 4.36Å; L171-E193 HydrophobicContact CD2-CB 4.38Å; L171-E193 HydrophobicContact CD2-CG 3.5Å; L171-E193 VanDerWaalsContact CD2-CG 3.5Å; L171-E193 HydrophobicContact CG-CG 3.84Å; V173-E193 HydrophobicContact CG2-CB 4.39Å; N189-E193 WeakPolarHBondContact O-CB 3.21Å; N189-E193 PolarHBondContact O-N 2.93Å; N189-E193 VanDerWaalsContact O-N 3.13Å; E193-K195 VanDerWaalsContact C-N 3.26Å; E193-K195 PolarHBondContact O-N 2.83Å; E193-V196 PolarHBondContact O-N 2.86Å; E193-R197 WeakPolarHBondContact O-CG 3.4Å; E193-R197 PolarHBondContact O-N 2.82Å; E193-R197 IonicContact OE1-CZ 3.32Å; E193-R197 VanDerWaalsContact OE1-CZ 3.24Å; E193-R197 IonicContact OE1-NE 3Å; E193-R197 PolarHBondContact OE1-NE 2.73Å; E193-R197 IonicContact OE1-NH2 2.77Å; E193-R197 PolarHBondContact OE1-NH2 3.07Å
194R74.6Confident70.1Confident163 Ų16356 Ų5662%0.61529%0.285SS*.Hα-helixtrans-58.6-38.9176.1-80.9-172.9-66.6142.81.7112.2N190 I192 S198N190-R194 WeakPolarHBondContact O-CG 3.49Å; N190-R194 PolarHBondContact O-NE 2.89Å; N190-R194 PolarHBondContact O-NH2 2.76Å; I192-R194 PolarHBondContact O-N 3Å; R194-S198 WeakPolarHBondContact O-CB 3.47Å; R194-S198 PolarHBondContact O-N 3.43Å; R194-S198 PolarHBondContact O-OG 3.29Å
195K72.1Confident72.1Confident72 Ų7253.9 Ų53.931%0.31327%0.274SS..Hα-helixtrans-69.7-37178.2-80.8-171.2172.1-154.20112.7Y79 V191 I192 E193 S198 F199Y79-K195 WeakPolarHBondContact OH-CD 3.34Å; Y79-K195 WeakPolarHBondContact OH-CE 3.5Å; Y79-K195 PolarHBondContact OH-NZ 2.89Å; V191-K195 HydrophobicContact CG1-CD 4.42Å; V191-K195 WeakPolarHBondContact O-CB 3.49Å; V191-K195 WeakPolarHBondContact O-CG 3.41Å; V191-K195 PolarHBondContact O-N 2.88Å; V191-K195 VanDerWaalsContact O-N 3.14Å; I192-K195 CarbonylContact O-C 3.57Å; I192-K195 PolarHBondContact O-N 3.17Å; I192-K195 VanDerWaalsContact O-N 3.08Å; E193-K195 VanDerWaalsContact C-N 3.26Å; E193-K195 PolarHBondContact O-N 2.83Å; K195-S198 WeakPolarHBondContact CA-OG 3.34Å; K195-S198 PolarHBondContact O-OG 2.79Å; K195-F199 WeakPolarHBondContact O-CB 3.44Å; K195-F199 PolarHBondContact O-N 2.84Å
196V73.5Confident73.8Confident18 Ų1857.7 Ų57.711%0.10929%0.291CS..Hα-helixtrans-66.9-45.8174.5172.30000110.4F136 L171 I192 E193 F199 F200F136-V196 HydrophobicContact CD1-CG2 3.8Å; F136-V196 HydrophobicContact CE1-CG2 3.39Å; F136-V196 HydrophobicContact CZ-CG2 3.87Å; L171-V196 HydrophobicContact CD1-CG1 4.45Å; L171-V196 HydrophobicContact CD2-CB 4.1Å; L171-V196 HydrophobicContact CD2-CG1 3.86Å; I192-V196 HydrophobicContact CG2-CG2 4.17Å; I192-V196 VanDerWaalsContact O-CG2 3.3Å; I192-V196 WeakPolarHBondContact O-CG2 3.4Å; I192-V196 PolarHBondContact O-N 2.81Å; E193-V196 PolarHBondContact O-N 2.86Å; V196-F199 WeakPolarHBondContact O-CB 3.15Å; V196-F199 PolarHBondContact O-N 2.75Å; V196-F199 VanDerWaalsContact O-N 3.13Å; V196-F200 HydrophobicContact CG1-CD2 4.03Å; V196-F200 HydrophobicContact CG1-CE2 3.91Å; V196-F200 WeakPolarHBondContact O-CD2 3.24Å; V196-F200 PolarHBondContact O-N 2.92Å; V196-F200 VanDerWaalsContact O-N 3.08Å
197R79.1Confident75.3Confident64 Ų6456.1 Ų56.124%0.24228%0.278CS..Hα-helixtrans-57.7-52.6173.4-69.1179.4-174.2-85.51.3111.1Y168 L171 E193 F199 F200 D201Y168-R197 HydrophobicContact CD2-CG 4.42Å; Y168-R197 HydrophobicContact CE2-CG 4.42Å; L171-R197 HydrophobicContact CD2-CG 4.05Å; E193-R197 WeakPolarHBondContact O-CG 3.4Å; E193-R197 PolarHBondContact O-N 2.82Å; E193-R197 IonicContact OE1-CZ 3.32Å; E193-R197 VanDerWaalsContact OE1-CZ 3.24Å; E193-R197 IonicContact OE1-NE 3Å; E193-R197 PolarHBondContact OE1-NE 2.73Å; E193-R197 IonicContact OE1-NH2 2.77Å; E193-R197 PolarHBondContact OE1-NH2 3.07Å; R197-F199 PolarHBondContact O-N 2.83Å; R197-F200 PolarHBondContact O-N 3.2Å; R197-F200 VanDerWaalsContact O-N 3.17Å; R197-D201 WeakPolarHBondContact O-CB 3.38Å; R197-D201 VanDerWaalsContact O-CG 3.27Å; R197-D201 PolarHBondContact O-N 3.29Å
198S80.1Confident77Confident47 Ų4756.8 Ų56.833%0.32928%0.282SS..Hα-helixtrans-60.4-30.9175.767.90000113.1R194 K195 D202 K203R194-S198 WeakPolarHBondContact O-CB 3.47Å; R194-S198 PolarHBondContact O-N 3.43Å; R194-S198 PolarHBondContact O-OG 3.29Å; K195-S198 WeakPolarHBondContact CA-OG 3.34Å; K195-S198 PolarHBondContact O-OG 2.79Å; S198-D202 WeakPolarHBondContact O-CA 3.43Å; S198-D202 WeakPolarHBondContact O-CB 3.14Å; S198-D202 PolarHBondContact O-N 3.14Å; S198-K203 PolarHBondContact O-N 3.41Å
199F78Confident78.6Confident20 Ų2059.5 Ų59.59%0.08829%0.294CS..Iπ-helixtrans-66.2-44.9177.8166.7-91.2000110.9M66 V69 K195 V196 R197 K203 V204M66-F199 HydrophobicContact CE-CE2 4.2Å; M66-F199 HydrophobicContact CE-CZ 3.59Å; M66-F199 HydrophobicContact SD-CE2 3.71Å; M66-F199 HydrophobicContact SD-CZ 3.49Å; M66-F199 WeakPolarHBondContact SD-CZ 3.29Å; V69-F199 HydrophobicContact CG1-CD2 3.9Å; V69-F199 HydrophobicContact CG1-CE2 3.92Å; V69-F199 HydrophobicContact CG1-CG 4.3Å; V69-F199 HydrophobicContact CG1-CZ 4.33Å; K195-F199 WeakPolarHBondContact O-CB 3.44Å; K195-F199 PolarHBondContact O-N 2.84Å; V196-F199 WeakPolarHBondContact O-CB 3.15Å; V196-F199 PolarHBondContact O-N 2.75Å; V196-F199 VanDerWaalsContact O-N 3.13Å; R197-F199 PolarHBondContact O-N 2.83Å; F199-K203 HydrophobicContact CD2-CB 4.03Å; F199-K203 HydrophobicContact CD2-CG 4.27Å; F199-K203 HydrophobicContact CE2-CB 4.41Å; F199-K203 HydrophobicContact CE2-CG 4.27Å; F199-K203 CarbonylContact O-C 3.53Å; F199-K203 VanDerWaalsContact O-CA 3.31Å; F199-K203 WeakPolarHBondContact O-CA 3.23Å; F199-K203 WeakPolarHBondContact O-CB 3.34Å; F199-K203 PolarHBondContact O-N 3.28Å; F199-V204 HydrophobicContact CD1-CG2 4.2Å; F199-V204 HydrophobicContact CE1-CG2 3.71Å; F199-V204 HydrophobicContact CZ-CG2 4.06Å; F199-V204 PolarHBondContact O-N 2.97Å
200F78.2Confident79.8Confident39 Ų3959.4 Ų59.417%0.17130%0.299CS..Iπ-helixtrans-74.9-44.4176.8-77.4-78000112.4I118 L138 Y168 V196 R197 V204 C205I118-F200 HydrophobicContact CD1-CZ 4.42Å; L138-F200 HydrophobicContact CD1-CE2 4.18Å; L138-F200 HydrophobicContact CD1-CZ 4.18Å; Y168-F200 HydrophobicContact CE1-CB 4.37Å; Y168-F200 HydrophobicContact CE1-CD2 4.19Å; Y168-F200 HydrophobicContact CE1-CG 4.36Å; Y168-F200 WeakPolarHBondContact OH-CB 3.26Å; V196-F200 HydrophobicContact CG1-CD2 4.03Å; V196-F200 HydrophobicContact CG1-CE2 3.91Å; V196-F200 WeakPolarHBondContact O-CD2 3.24Å; V196-F200 PolarHBondContact O-N 2.92Å; V196-F200 VanDerWaalsContact O-N 3.08Å; R197-F200 PolarHBondContact O-N 3.2Å; R197-F200 VanDerWaalsContact O-N 3.17Å; F200-V204 HydrophobicContact CD1-CB 4.42Å; F200-V204 HydrophobicContact CD1-CG2 3.89Å; F200-V204 HydrophobicContact CG-CG2 4.47Å; F200-V204 WeakPolarHBondContact O-CB 3.33Å; F200-C205 PolarHBondContact O-N 3.47Å
201D83.2Confident80.7Confident61 Ų6159.7 Ų59.733%0.32629%0.293SS..Iπ-helixtrans-70.5-37.9-174.9-63.4-11.2000112.3Y168 R197 C205Y168-D201 WeakPolarHBondContact CE2-OD1 3.49Å; Y168-D201 PolarHBondContact OH-OD1 3.45Å; R197-D201 WeakPolarHBondContact O-CB 3.38Å; R197-D201 VanDerWaalsContact O-CG 3.27Å; R197-D201 PolarHBondContact O-N 3.29Å; D201-C205 VanDerWaalsContact O-CB 3.26Å; D201-C205 WeakPolarHBondContact O-CB 3.45Å
202D83.7Confident81.7Confident94 Ų9458.9 Ų58.950%0.50329%0.291SS..Iπ-helixtrans-98.1-64.4178.4-52.2-38.8000110S198 V204 C205 D206S198-D202 WeakPolarHBondContact O-CA 3.43Å; S198-D202 WeakPolarHBondContact O-CB 3.14Å; S198-D202 PolarHBondContact O-N 3.14Å; D202-V204 PolarHBondContact O-N 3.24Å; D202-C205 PolarHBondContact O-N 2.85Å; D202-D206 WeakPolarHBondContact O-CB 3.3Å; D202-D206 PolarHBondContact O-N 3.48Å
203K80.8Confident82.9Confident106 Ų10658.8 Ų58.846%0.46129%0.292SS..Iπ-helixtrans-67.7-45-167.3-165.768.3167.8-174.20113S198 F199 T207S198-K203 PolarHBondContact O-N 3.41Å; F199-K203 HydrophobicContact CD2-CB 4.03Å; F199-K203 HydrophobicContact CD2-CG 4.27Å; F199-K203 HydrophobicContact CE2-CB 4.41Å; F199-K203 HydrophobicContact CE2-CG 4.27Å; F199-K203 CarbonylContact O-C 3.53Å; F199-K203 VanDerWaalsContact O-CA 3.31Å; F199-K203 WeakPolarHBondContact O-CA 3.23Å; F199-K203 WeakPolarHBondContact O-CB 3.34Å; F199-K203 PolarHBondContact O-N 3.28Å; K203-T207 VanDerWaalsContact O-CB 3.26Å; K203-T207 WeakPolarHBondContact O-CB 3.1Å; K203-T207 PolarHBondContact O-N 3.2Å; K203-T207 VanDerWaalsContact O-N 3.09Å; K203-T207 PolarHBondContact O-OG1 2.88Å
204V82.8Confident84Confident32 Ų3262.3 Ų62.319%0.19431%0.308CS..Iπ-helixtrans-70-46.1178.7174.80000110F166 F199 F200 D202 T207 L208F166-V204 HydrophobicContact CE2-CG1 4.1Å; F166-V204 HydrophobicContact CZ-CG1 4.2Å; F199-V204 HydrophobicContact CD1-CG2 4.2Å; F199-V204 HydrophobicContact CE1-CG2 3.71Å; F199-V204 HydrophobicContact CZ-CG2 4.06Å; F199-V204 PolarHBondContact O-N 2.97Å; F200-V204 HydrophobicContact CD1-CB 4.42Å; F200-V204 HydrophobicContact CD1-CG2 3.89Å; F200-V204 HydrophobicContact CG-CG2 4.47Å; F200-V204 WeakPolarHBondContact O-CB 3.33Å; D202-V204 PolarHBondContact O-N 3.24Å; V204-T207 PolarHBondContact O-N 3.33Å; V204-L208 HydrophobicContact CG1-CD1 3.88Å; V204-L208 HydrophobicContact CG1-CG 4.27Å; V204-L208 WeakPolarHBondContact O-CB 3.47Å; V204-L208 VanDerWaalsContact O-CG 3.29Å; V204-L208 WeakPolarHBondContact O-CG 2.98Å; V204-L208 PolarHBondContact O-N 2.99Å
205C91Very high84.5Confident5 Ų557.3 Ų57.33%0.03429%0.291CS..Hα-helixtrans-65.1-42.2178-78.50000113.7C164 F200 D201 D202 T207 L208 Q209C164-C205 HydrophobicContact CB-CB 3.62Å; C164-C205 WeakPolarHBondContact CB-SG 3.34Å; C164-C205 WeakPolarHBondContact SG-CA 3.41Å; C164-C205 WeakPolarHBondContact SG-CB 3.22Å; C164-C205 CovalentContact SG-SG 2.05Å; C164-C205 PolarHBondContact SG-SG 3.14Å; F200-C205 PolarHBondContact O-N 3.47Å; D201-C205 VanDerWaalsContact O-CB 3.26Å; D201-C205 WeakPolarHBondContact O-CB 3.45Å; D202-C205 PolarHBondContact O-N 2.85Å; C205-T207 VanDerWaalsContact C-N 3.28Å; C205-T207 PolarHBondContact O-N 2.86Å; C205-L208 PolarHBondContact O-N 2.76Å; C205-Q209 VanDerWaalsContact O-CB 3.29Å; C205-Q209 WeakPolarHBondContact O-CB 3.38Å; C205-Q209 VanDerWaalsContact O-CG 3.3Å; C205-Q209 WeakPolarHBondContact O-CG 3.43Å; C205-Q209 PolarHBondContact O-N 3.37Å
206D89.3Confident85.4Confident96 Ų9655.6 Ų55.651%0.51329%0.285SS..Hα-helixtrans-59.1-42.8173.6-78.9-15.6000111D202 Q209 S210D202-D206 WeakPolarHBondContact O-CB 3.3Å; D202-D206 PolarHBondContact O-N 3.48Å; D206-Q209 PolarHBondContact O-N 3.3Å; D206-S210 VanDerWaalsContact O-CB 3.29Å; D206-S210 WeakPolarHBondContact O-CB 3.48Å; D206-S210 PolarHBondContact O-N 3.03Å; D206-S210 PolarHBondContact O-OG 3.49Å
207T85.7Confident86.3Confident35 Ų3556.7 Ų56.722%0.21529%0.292CS..Hα-helixtrans-65.3-44.3178.1-61.30000111.3K203 V204 C205 R211 G212K203-T207 VanDerWaalsContact O-CB 3.26Å; K203-T207 WeakPolarHBondContact O-CB 3.1Å; K203-T207 PolarHBondContact O-N 3.2Å; K203-T207 VanDerWaalsContact O-N 3.09Å; K203-T207 PolarHBondContact O-OG1 2.88Å; V204-T207 PolarHBondContact O-N 3.33Å; C205-T207 VanDerWaalsContact C-N 3.28Å; C205-T207 PolarHBondContact O-N 2.86Å; T207-R211 WeakPolarHBondContact O-CA 3.44Å; T207-R211 WeakPolarHBondContact O-CB 3.39Å; T207-R211 PolarHBondContact O-N 3.06Å; T207-G212 PolarHBondContact O-N 3.4Å
208L88.6Confident86.8Confident55 Ų5557.4 Ų57.429%0.28830%0.298SS..Iπ-helixtrans-62.8-49.1175.8-73.6173.7000110.7I161 F166 V204 C205 G212 S213I161-L208 HydrophobicContact CD1-CB 4.41Å; I161-L208 WeakPolarHBondContact CD1-O 3.43Å; F166-L208 HydrophobicContact CZ-CD1 4.45Å; V204-L208 HydrophobicContact CG1-CD1 3.88Å; V204-L208 HydrophobicContact CG1-CG 4.27Å; V204-L208 WeakPolarHBondContact O-CB 3.47Å; V204-L208 VanDerWaalsContact O-CG 3.29Å; V204-L208 WeakPolarHBondContact O-CG 2.98Å; V204-L208 PolarHBondContact O-N 2.99Å; C205-L208 PolarHBondContact O-N 2.76Å; L208-G212 CarbonylContact O-C 3.53Å; L208-G212 WeakPolarHBondContact O-CA 3.26Å; L208-G212 PolarHBondContact O-N 3Å; L208-S213 PolarHBondContact O-N 2.84Å
209Q93.5Very high87Confident70 Ų7060.2 Ų60.233%0.32730%0.302SS..Iπ-helixtrans-66.4-42.9-177.4-74.2-178.9-900112.9I161 C164 C205 D206 S213I161-Q209 HydrophobicContact CB-CG 4.36Å; I161-Q209 HydrophobicContact CG2-CG 3.85Å; C164-Q209 HydrophobicContact CB-CG 4.27Å; C205-Q209 VanDerWaalsContact O-CB 3.29Å; C205-Q209 WeakPolarHBondContact O-CB 3.38Å; C205-Q209 VanDerWaalsContact O-CG 3.3Å; C205-Q209 WeakPolarHBondContact O-CG 3.43Å; C205-Q209 PolarHBondContact O-N 3.37Å; D206-Q209 PolarHBondContact O-N 3.3Å; Q209-S213 WeakPolarHBondContact O-CB 3.16Å; Q209-S213 PolarHBondContact O-OG 2.8Å
210S89.6Confident87.4Confident72 Ų7260.6 Ų60.650%0.50330%0.304SS..Iπ-helixtrans-80.2-72.5179.261.20000111.7D206 S213 E214D206-S210 VanDerWaalsContact O-CB 3.29Å; D206-S210 WeakPolarHBondContact O-CB 3.48Å; D206-S210 PolarHBondContact O-N 3.03Å; D206-S210 PolarHBondContact O-OG 3.49Å; S210-S213 PolarHBondContact O-N 3.5Å; S210-E214 PolarHBondContact O-N 3.35Å; S210-E214 VanDerWaalsContact O-N 3.15Å
211R86.7Confident87.9Confident103 Ų10360 Ų6039%0.38931%0.309SS..Iπ-helixtrans-70.7-38.2-174-56.1-171.2-176.7-154.73.1112.1T207 E214 K215T207-R211 WeakPolarHBondContact O-CA 3.44Å; T207-R211 WeakPolarHBondContact O-CB 3.39Å; T207-R211 PolarHBondContact O-N 3.06Å; R211-E214 PolarHBondContact O-N 3.28Å; R211-K215 WeakPolarHBondContact O-CB 3.33Å; R211-K215 VanDerWaalsContact O-CG 3.29Å; R211-K215 WeakPolarHBondContact O-CG 3.4Å; R211-K215 PolarHBondContact O-N 2.91Å
212G87.9Confident88Confident16 Ų1665 Ų6517%0.16532%0.324CS..Iπ-helixtrans-62-45.617700000111.9T207 L208 E214 K215 L216T207-G212 PolarHBondContact O-N 3.4Å; L208-G212 CarbonylContact O-C 3.53Å; L208-G212 WeakPolarHBondContact O-CA 3.26Å; L208-G212 PolarHBondContact O-N 3Å; G212-E214 PolarHBondContact O-N 3.1Å; G212-K215 PolarHBondContact O-N 3.5Å; G212-L216 WeakPolarHBondContact O-CB 3.21Å; G212-L216 VanDerWaalsContact O-CG 3.25Å; G212-L216 WeakPolarHBondContact O-CG 3.48Å; G212-L216 PolarHBondContact O-N 3.38Å
213S93.3Very high88Confident16 Ų1664.5 Ų64.511%0.11232%0.32CS..Hα-helixtrans-60.1-45.3174.4-62.20000112.4I159 S160 I161 L208 Q209 S210 K215 T217I159-S213 WeakPolarHBondContact O-CB 3.37Å; S160-S213 WeakPolarHBondContact CA-OG 3.41Å; I161-S213 PolarHBondContact N-OG 2.99Å; L208-S213 PolarHBondContact O-N 2.84Å; Q209-S213 WeakPolarHBondContact O-CB 3.16Å; Q209-S213 PolarHBondContact O-OG 2.8Å; S210-S213 PolarHBondContact O-N 3.5Å; S213-K215 PolarHBondContact O-N 2.89Å; S213-T217 WeakPolarHBondContact O-CB 3.18Å; S213-T217 PolarHBondContact O-N 3.46Å; S213-T217 PolarHBondContact O-OG1 3.46Å
214E91.5Very high88.3Confident124 Ų12463.4 Ų63.458%0.57932%0.324SS*.Hα-helixtrans-58.9-48.4176.9-173.8-172.4-179.900111.1S210 R211 G212 T217 E218S210-E214 PolarHBondContact O-N 3.35Å; S210-E214 VanDerWaalsContact O-N 3.15Å; R211-E214 PolarHBondContact O-N 3.28Å; G212-E214 PolarHBondContact O-N 3.1Å; E214-T217 CarbonylContact O-C 3.51Å; E214-T217 WeakPolarHBondContact O-CB 3.04Å; E214-T217 PolarHBondContact O-N 2.8Å; E214-E218 WeakPolarHBondContact O-CB 3.32Å; E214-E218 PolarHBondContact O-N 2.83Å
215K86Confident88.6Confident58 Ų5863.4 Ų63.425%0.25232%0.324SS..Hα-helixtrans-70.8-38.1-177.8-68.3-61.7-178.9-164.10113.6R211 G212 S213 T217 E218 W219 L538R211-K215 WeakPolarHBondContact O-CB 3.33Å; R211-K215 VanDerWaalsContact O-CG 3.29Å; R211-K215 WeakPolarHBondContact O-CG 3.4Å; R211-K215 PolarHBondContact O-N 2.91Å; G212-K215 PolarHBondContact O-N 3.5Å; S213-K215 PolarHBondContact O-N 2.89Å; K215-T217 VanDerWaalsContact C-N 3.28Å; K215-E218 WeakPolarHBondContact CD-OE2 3.37Å; K215-E218 IonicContact NZ-OE2 2.76Å; K215-E218 PolarHBondContact NZ-OE2 3.18Å; K215-E218 VanDerWaalsContact NZ-OE2 3.1Å; K215-E218 WeakPolarHBondContact O-CB 3.49Å; K215-E218 PolarHBondContact O-N 2.81Å; K215-W219 WeakPolarHBondContact O-CB 3.33Å; K215-W219 PolarHBondContact O-N 2.78Å; K215-L538 HydrophobicContact CB-CD1 3.52Å; K215-L538 HydrophobicContact CG-CD1 4.3Å
216L90.2Very high88.5Confident36 Ų3667.6 Ų67.619%0.18834%0.343CS..Hα-helixtrans-63.8-39172.5-72.2170.5000110.7F147 I159 I161 G212 W219 L220 L538F147-L216 HydrophobicContact CD1-CD1 4.25Å; F147-L216 HydrophobicContact CE1-CD1 4.03Å; I159-L216 HydrophobicContact CB-CB 3.93Å; I159-L216 HydrophobicContact CD1-CB 4.14Å; I159-L216 HydrophobicContact CG2-CB 4.01Å; I159-L216 HydrophobicContact CG2-CD1 3.83Å; I161-L216 HydrophobicContact CD1-CD1 4.03Å; I161-L216 HydrophobicContact CG1-CD1 4.37Å; G212-L216 WeakPolarHBondContact O-CB 3.21Å; G212-L216 VanDerWaalsContact O-CG 3.25Å; G212-L216 WeakPolarHBondContact O-CG 3.48Å; G212-L216 PolarHBondContact O-N 3.38Å; L216-W219 PolarHBondContact O-N 2.92Å; L216-L220 PolarHBondContact O-N 3.4Å; L216-L538 HydrophobicContact CD2-CD2 4.47Å
217T93.3Very high88.5Confident41 Ų4166.1 Ų66.125%0.25233%0.334SS..Hα-helixtrans-65.7-41.8173.3-640000111.7A158 I159 S213 E214 K215 W219 L220 G221A158-T217 HydrophobicContact CB-CG2 3.72Å; I159-T217 PolarHBondContact N-OG1 3.36Å; I159-T217 PolarHBondContact O-OG1 2.76Å; I159-T217 VanDerWaalsContact O-OG1 3.04Å; S213-T217 WeakPolarHBondContact O-CB 3.18Å; S213-T217 PolarHBondContact O-N 3.46Å; S213-T217 PolarHBondContact O-OG1 3.46Å; E214-T217 CarbonylContact O-C 3.51Å; E214-T217 WeakPolarHBondContact O-CB 3.04Å; E214-T217 PolarHBondContact O-N 2.8Å; K215-T217 VanDerWaalsContact C-N 3.28Å; T217-W219 PolarHBondContact O-N 3.47Å; T217-L220 PolarHBondContact O-N 2.92Å; T217-G221 PolarHBondContact O-N 3.19Å
218E89.6Confident88.7Confident80 Ų8068.9 Ų68.937%0.37434%0.341SS..Hα-helixtrans-60.6-45.3174.5-165.5-159.1141.200110.9E214 K215 G221 R222E214-E218 WeakPolarHBondContact O-CB 3.32Å; E214-E218 PolarHBondContact O-N 2.83Å; K215-E218 WeakPolarHBondContact CD-OE2 3.37Å; K215-E218 IonicContact NZ-OE2 2.76Å; K215-E218 PolarHBondContact NZ-OE2 3.18Å; K215-E218 VanDerWaalsContact NZ-OE2 3.1Å; K215-E218 WeakPolarHBondContact O-CB 3.49Å; K215-E218 PolarHBondContact O-N 2.81Å; E218-G221 WeakPolarHBondContact O-CA 3.49Å; E218-G221 PolarHBondContact O-N 3.43Å; E218-G221 VanDerWaalsContact O-N 3.11Å; E218-R222 PolarHBondContact O-N 3.42Å; E218-R222 IonicContact OE1-CZ 2.61Å; E218-R222 IonicContact OE1-NE 3.56Å; E218-R222 IonicContact OE1-NH2 2.76Å; E218-R222 PolarHBondContact OE1-NH2 2.75Å
219W84.8Confident88.6Confident105 Ų10569.3 Ų69.340%0.39834%0.343SS..Hα-helixtrans-61.6-46.3177.4177.383.2000111.8K215 L216 T217 G221 R222K215-W219 WeakPolarHBondContact O-CB 3.33Å; K215-W219 PolarHBondContact O-N 2.78Å; L216-W219 PolarHBondContact O-N 2.92Å; T217-W219 PolarHBondContact O-N 3.47Å; W219-G221 VanDerWaalsContact C-N 3.26Å; W219-G221 PolarHBondContact O-N 3.24Å; W219-R222 WeakPolarHBondContact O-CB 3.26Å; W219-R222 PolarHBondContact O-N 3.05Å
220L86.6Confident88.2Confident28 Ų2870.1 Ų70.115%0.14734%0.344CS..Hα-helixtrans-61.4-36.3172.1-79.2-174.2000112.3A157 I159 L216 T217 R222 L223A157-L220 HydrophobicContact CB-CD1 4.04Å; I159-L220 HydrophobicContact CB-CD1 4.44Å; I159-L220 HydrophobicContact CD1-CD1 3.35Å; I159-L220 HydrophobicContact CD1-CD2 4.39Å; I159-L220 HydrophobicContact CD1-CG 3.77Å; I159-L220 HydrophobicContact CG1-CD1 3.45Å; I159-L220 VanDerWaalsContact CG1-CD1 3.45Å; I159-L220 HydrophobicContact CG1-CG 4.38Å; L216-L220 PolarHBondContact O-N 3.4Å; T217-L220 PolarHBondContact O-N 2.92Å; L220-R222 PolarHBondContact O-N 3.21Å; L220-R222 VanDerWaalsContact O-N 3.13Å; L220-L223 HydrophobicContact CD2-CD1 3.76Å; L220-L223 VanDerWaalsContact O-CB 3.29Å; L220-L223 WeakPolarHBondContact O-CB 3.35Å; L220-L223 PolarHBondContact O-N 2.84Å
221G87.2Confident87.4Confident26 Ų2671 Ų7127%0.26834%0.34SS..Hα-helixtrans-62.4-17.3178.600000114.5T217 E218 W219T217-G221 PolarHBondContact O-N 3.19Å; E218-G221 WeakPolarHBondContact O-CA 3.49Å; E218-G221 PolarHBondContact O-N 3.43Å; E218-G221 VanDerWaalsContact O-N 3.11Å; W219-G221 VanDerWaalsContact C-N 3.26Å; W219-G221 PolarHBondContact O-N 3.24Å
222R85.8Confident86.5Confident168 Ų16871.7 Ų71.763%0.63435%0.346SS*.THydrogen-bonded Turntrans-80.5-17.1173.4-61.8173-1731572.5113E218 W219 L220E218-R222 PolarHBondContact O-N 3.42Å; E218-R222 IonicContact OE1-CZ 2.61Å; E218-R222 IonicContact OE1-NE 3.56Å; E218-R222 IonicContact OE1-NH2 2.76Å; E218-R222 PolarHBondContact OE1-NH2 2.75Å; W219-R222 WeakPolarHBondContact O-CB 3.26Å; W219-R222 PolarHBondContact O-N 3.05Å; L220-R222 PolarHBondContact O-N 3.21Å; L220-R222 VanDerWaalsContact O-N 3.13Å
223L84.1Confident85.2Confident83 Ų8382.6 Ų82.644%0.43538%0.382SS..SBendtrans-69.1136.7174.5-61176.4000109.6L220 T225L220-L223 HydrophobicContact CD2-CD1 3.76Å; L220-L223 VanDerWaalsContact O-CB 3.29Å; L220-L223 WeakPolarHBondContact O-CB 3.35Å; L220-L223 PolarHBondContact O-N 2.84Å; L223-T225 PolarHBondContact O-N 3.44Å
224P86Confident83.3Confident83 Ų8385.8 Ų85.854%0.53940%0.404SS..  trans-66.9119.9179.227.5-33.6000110.2E226 I227P224-E226 VanDerWaalsContact C-N 3.3Å; P224-I227 HydrophobicContact CB-CG2 3.88Å; P224-I227 HydrophobicContact CG-CG2 3.79Å
225T89.3Confident81.4Confident32 Ų3284.4 Ų84.420%0.19640%0.398CS..SBendtrans-85.2-5.217457.10000113.2K156 L223 L275 H276K156-T225 HydrophobicContact CD-CG2 4.49Å; K156-T225 HydrophobicContact CG-CG2 4.13Å; L223-T225 PolarHBondContact O-N 3.44Å; T225-L275 CarbonylContact O-C 3.6Å; T225-L275 WeakPolarHBondContact O-CA 3.39Å; T225-L275 PolarHBondContact O-N 3.2Å; T225-H276 VanDerWaalsContact CB-NE2 3.34Å; T225-H276 WeakPolarHBondContact CB-NE2 3.29Å; T225-H276 PolarHBondContact O-N 2.81Å; T225-H276 PolarHBondContact OG1-CE1 2.94Å; T225-H276 PolarHBondContact OG1-NE2 2.9Å
226E90.3Very high79.6Confident92 Ų9289.5 Ų89.543%0.4343%0.425SS..EExtended strand (participates in β ladder)trans-140121.9170.6-174.7173.5-161.700108.3P224 S272 L273P224-E226 VanDerWaalsContact C-N 3.3Å; E226-S272 WeakPolarHBondContact OE1-CB 3.29Å; E226-S272 PolarHBondContact OE1-OG 3.35Å; E226-L273 WeakPolarHBondContact CA-O 3.29Å
227I89.8Confident77.4Confident65 Ų6593 Ų9333%0.33345%0.447SS..EExtended strand (participates in β ladder)trans-117.2145.5179.762.2169.3000110.4P224 S272 L273 L275P224-I227 HydrophobicContact CB-CG2 3.88Å; P224-I227 HydrophobicContact CG-CG2 3.79Å; I227-S272 CarbonylContact O-C 3.54Å; I227-S272 WeakPolarHBondContact O-CA 3.28Å; I227-L273 HydrophobicContact CD1-CD2 4.32Å; I227-L273 HydrophobicContact CG1-CB 3.99Å; I227-L273 HydrophobicContact CG1-CD2 4.44Å; I227-L273 PolarHBondContact N-O 3.22Å; I227-L273 PolarHBondContact O-N 3.1Å; I227-L275 HydrophobicContact CD1-CD1 3.86Å; I227-L275 HydrophobicContact CG1-CD1 3.9Å; I227-L275 HydrophobicContact CG1-CG 4.47Å; I227-L275 HydrophobicContact CG2-CD1 4.11Å
228R89.2Confident75Confident93 Ų9397.3 Ų97.335%0.35147%0.474SS..EExtended strand (participates in β ladder)trans-73.1139.1170.8-64.7-176.8-179.9161.2-0.1109.3Y230 L271 I303R228-Y230 PolarHBondContact O-N 2.54Å; R228-L271 WeakPolarHBondContact CA-O 3.41Å; R228-I303 HydrophobicContact CG-CD1 4.12Å
229L86.4Confident72.8Confident64 Ų64100.8 Ų100.834%0.33549%0.49SS..SBendtrans-62.9-30.3176.2-68.1-171.4000112A268 L271 L273 V300 M338L229-A268 HydrophobicContact CB-CB 4.3Å; L229-L271 HydrophobicContact CB-CB 4.42Å; L229-L271 HydrophobicContact CD1-CB 3.7Å; L229-L271 HydrophobicContact CD1-CD1 3.92Å; L229-L271 HydrophobicContact CD1-CG 4.49Å; L229-L271 HydrophobicContact CG-CB 4Å; L229-L271 PolarHBondContact N-O 2.86Å; L229-L273 HydrophobicContact CD2-CB 3.81Å; L229-V300 HydrophobicContact CD1-CG1 3.86Å; L229-V300 HydrophobicContact CD1-CG2 4.34Å; L229-V300 HydrophobicContact CD2-CG2 4.5Å; L229-M338 HydrophobicContact CD1-CG 4.48Å; L229-M338 HydrophobicContact CD1-SD 4.04Å
230Y84.3Confident70.8Confident87 Ų87106.9 Ų106.934%0.34151%0.513SS..  trans-144.1135.9170.7-178.5-109.5000111.2R228 L265 S269R228-Y230 PolarHBondContact O-N 2.54Å; Y230-L265 HydrophobicContact CD1-CB 3.86Å; Y230-L265 HydrophobicContact CD1-CD2 4.19Å; Y230-L265 WeakPolarHBondContact CD1-O 3.32Å; Y230-L265 HydrophobicContact CD2-CD2 3.68Å; Y230-L265 HydrophobicContact CE1-CB 3.74Å; Y230-L265 HydrophobicContact CE1-CD1 4.3Å; Y230-L265 HydrophobicContact CE1-CD2 4.25Å; Y230-L265 HydrophobicContact CE1-CG 4.31Å; Y230-L265 HydrophobicContact CE2-CD1 4.28Å; Y230-L265 HydrophobicContact CE2-CD2 3.74Å; Y230-L265 HydrophobicContact CE2-CG 4.46Å; Y230-L265 HydrophobicContact CG-CB 4.41Å; Y230-L265 HydrophobicContact CG-CD2 3.9Å; Y230-S269 VanDerWaalsContact O-CA 3.32Å; Y230-S269 WeakPolarHBondContact O-CA 3.45Å
231Q73.6Confident69.1Low90 Ų90109.6 Ų109.642%0.42153%0.534SS..  trans-138.6120.5174.1-174.6166.8-0.300109.5R233Q231-R233 PolarHBondContact O-N 3.2Å
232K67.6Low67.5Low118 Ų118118.8 Ų118.851%0.51356%0.561SS.*  trans-68.3130.2170.8-164.6175.3-178.3179.20107.9S234 Q235K232-S234 PolarHBondContact O-N 3.08Å; K232-Q235 HydrophobicContact CB-CG 4.45Å; K232-Q235 PolarHBondContact O-N 3.33Å
233R60.3Low66.1Low245 Ų245114.3 Ų114.393%0.92555%0.545SS*.THydrogen-bonded Turntrans-51.8-27.5-179-164174-177.8179-0.1113.2Q231Q231-R233 PolarHBondContact O-N 3.2Å
234S53.4Low65Low83 Ų83119.5 Ų119.558%0.5856%0.558SS**THydrogen-bonded Turntrans-83.2-4.5179690000115.7K232K232-S234 PolarHBondContact O-N 3.08Å
235Q51.8Low63.6Low95 Ų95117.5 Ų117.544%0.44455%0.553SS.*  trans-10934.4-176.6-72.7-175.3-19.600113K232 T237K232-Q235 HydrophobicContact CB-CG 4.45Å; K232-Q235 PolarHBondContact O-N 3.33Å; Q235-T237 PolarHBondContact O-N 2.89Å
236M47.5Very low62Low165 Ų165124.8 Ų124.881%0.81358%0.582SS**  trans-66.7-18170.4-94.6179.1171.300112.9T238M236-T238 PolarHBondContact O-N 2.85Å
237T45Very low60.4Low109 Ų109127.2 Ų127.267%0.66959%0.587SS**SBendtrans-82.596.5175.739.20000111.7Q235 Q239Q235-T237 PolarHBondContact O-N 2.89Å; T237-Q239 PolarHBondContact O-N 2.76Å; T237-Q239 VanDerWaalsContact O-N 3.08Å
238T43.5Very low58.8Low132 Ų132129.4 Ų129.481%0.8162%0.615SS**  trans30.769.3141.230.90000117.7M236M236-T238 PolarHBondContact O-N 2.85Å
239Q43.1Very low57.7Low154 Ų154129.1 Ų129.172%0.7263%0.628SS**  trans-103.499.6148.7-91.6-175.1-18.500109.7T237 S241T237-Q239 PolarHBondContact O-N 2.76Å; T237-Q239 VanDerWaalsContact O-N 3.08Å; Q239-S241 PolarHBondContact O-N 3.2Å
240R43.2Very low56.9Low233 Ų233127.3 Ų127.388%0.87962%0.616SS**  trans-68.682.1159.5-74.4-178.8173.9168.6-2107.4R242R240-R242 VanDerWaalsContact C-N 3.25Å; R240-R242 PolarHBondContact O-N 2.97Å
241S50.3Low56.8Low84 Ų84129.5 Ų129.559%0.58762%0.624SS**  trans-62.594.8163.7174.10000107.1Q239 Y243Q239-S241 PolarHBondContact O-N 3.2Å; S241-Y243 PolarHBondContact O-N 3.29Å
242R52.4Low57.4Low219 Ų219127.2 Ų127.283%0.82661%0.613SS**  trans-61.7126.4172.8-66.9-173.3-159165.35.5107.4R240 R244R240-R242 VanDerWaalsContact C-N 3.25Å; R240-R242 PolarHBondContact O-N 2.97Å; R242-R244 PolarHBondContact O-N 3.21Å
243Y58.1Low58.3Low74 Ų74123.8 Ų123.829%0.2960%0.602SS.*  trans-52.9106.6165.7173.3-103.9000107.9S241 G245 I302 N345S241-Y243 PolarHBondContact O-N 3.29Å; Y243-G245 PolarHBondContact O-N 3.18Å; Y243-I302 HydrophobicContact CD2-CD1 4.46Å; Y243-I302 HydrophobicContact CD2-CG2 3.85Å; Y243-I302 HydrophobicContact CE2-CG2 4.03Å; Y243-N345 WeakPolarHBondContact CE2-OD1 3.38Å
244R59.7Low59.5Low192 Ų192114.4 Ų114.473%0.72557%0.572SS**  trans-81.6109.8170.6-76.6178.1161.1174.9-7.4104.5R242R242-R244 PolarHBondContact O-N 3.21Å
245G57.7Low60.8Low42 Ų42111.8 Ų111.843%0.43355%0.551SS.*PPolyproline II helixtrans-49.3173.2179.600000114.1Y243 R247Y243-G245 PolarHBondContact O-N 3.18Å; G245-R247 PolarHBondContact O-N 2.97Å
246K55.3Low62.1Low185 Ų185113.1 Ų113.180%0.80456%0.556SS**PPolyproline II helixtrans-49.4125.5-172.4-64.7-179.7-179.4176.50111.5
247R57.2Low63.3Low142 Ų142107.9 Ų107.954%0.53653%0.533SS..PPolyproline II helixtrans-93.7152.8172.6-68.6-177.5178.1-178.2-4.5110.1G245 S249G245-R247 PolarHBondContact O-N 2.97Å; R247-S249 VanDerWaalsContact C-N 3.3Å; R247-S249 PolarHBondContact O-N 2.56Å
248A55.7Low65Low111 Ų111110.5 Ų110.592%0.91754%0.543SS*.SBendtrans-66.2-26.6-179.200000114.2
249S64.7Low66.8Low88 Ų88107.9 Ų107.962%0.61552%0.523SS*.SBendtrans-109.2133.7-179.5-174.50000111.8R247 R251R247-S249 VanDerWaalsContact C-N 3.3Å; R247-S249 PolarHBondContact O-N 2.56Å; S249-R251 PolarHBondContact O-N 2.62Å
250R70.1Confident68.5Low25 Ų25101.1 Ų101.19%0.09449%0.492CS..  trans-62.2127.1174-70.4-173-172.6-175.22.4109.9Y19 F252Y19-R250 PolarHBondContact O-NH2 2.96Å; R250-F252 HydrophobicContact CB-CE2 3.92Å
251R82.6Confident70.3Confident134 Ų13495.1 Ų95.151%0.50647%0.472SS..  trans-78.8145.6170.8-164.2179.5-631756.2109.1S249 D346 N349S249-R251 PolarHBondContact O-N 2.62Å; R251-D346 HydrophobicContact CB-CB 4.31Å; R251-N349 WeakPolarHBondContact O-CB 3.48Å; R251-N349 PolarHBondContact O-ND2 3.01Å
252F86.6Confident71.9Confident42 Ų4292.4 Ų92.418%0.18446%0.458CS..  trans-125.6144.9171.4-75.2-91.3000109.5R250 N349 I351 R394 F396R250-F252 HydrophobicContact CB-CE2 3.92Å; F252-N349 WeakPolarHBondContact CA-O 3.16Å; F252-N349 HydrophobicContact CD1-CB 3.7Å; F252-N349 HydrophobicContact CE1-CB 3.84Å; F252-N349 HydrophobicContact CG-CB 4.19Å; F252-N349 HydrophobicContact CZ-CB 4.47Å; F252-I351 HydrophobicContact CB-CD1 3.47Å; F252-I351 VanDerWaalsContact CB-CD1 3.47Å; F252-I351 HydrophobicContact CB-CG1 3.78Å; F252-I351 HydrophobicContact CD1-CG1 4.19Å; F252-I351 HydrophobicContact CG-CD1 4.29Å; F252-I351 HydrophobicContact CG-CG1 4.25Å; F252-R394 HydrophobicContact CD1-CB 4.23Å; F252-R394 HydrophobicContact CD1-CG 4.44Å; F252-R394 HydrophobicContact CE1-CB 3.82Å; F252-R394 HydrophobicContact CE1-CG 4.36Å; F252-R394 HydrophobicContact CZ-CB 4.42Å; F252-F396 HydrophobicContact CE1-CB 4.09Å; F252-F396 AromaticContact CE1-CD1 3.45Å; F252-F396 HydrophobicContact CE1-CD1 3.45Å; F252-F396 VanDerWaalsContact CE1-CD1 3.45Å; F252-F396 HydrophobicContact CE1-CE1 4.16Å; F252-F396 HydrophobicContact CE1-CG 4.07Å; F252-F396 HydrophobicContact CZ-CB 4.5Å; F252-F396 AromaticContact CZ-CD1 3.54Å; F252-F396 HydrophobicContact CZ-CD1 3.54Å; F252-F396 AromaticContact CZ-CE1 3.88Å; F252-F396 HydrophobicContact CZ-CE1 3.88Å; F252-F396 HydrophobicContact CZ-CG 4.13Å
253T86.4Confident73.4Confident45 Ų4583.2 Ų83.228%0.27643%0.425SS..EExtended strand (participates in β ladder)trans-112.7122.8174.9-54.30000109.2L255 N349 I350 I351T253-L255 PolarHBondContact O-N 3.36Å; T253-N349 PolarHBondContact N-O 3.09Å; T253-I350 CarbonylContact O-C 3.58Å; T253-I350 VanDerWaalsContact O-CA 3.29Å; T253-I350 WeakPolarHBondContact O-CA 3.23Å; T253-I351 PolarHBondContact O-N 3.08Å
254T85.8Confident74.6Confident48 Ų4882.6 Ų82.629%0.29443%0.426SS..EExtended strand (participates in β ladder)trans-68.7117.4172.1-54.90000109.5K256 Q263 I351 E353T254-K256 PolarHBondContact O-N 2.81Å; T254-Q263 PolarHBondContact O-NE2 3.15Å; T254-I351 WeakPolarHBondContact CA-O 3.42Å; T254-E353 HydrophobicContact CG2-CG 3.95Å
255L80.2Confident75.8Confident29 Ų2975 Ų7515%0.15240%0.399CS..PPolyproline II helixtrans-69.6123.6174.8-72.7-177.7000109.1T253 L260 Q263 I350 I351 I352 K487T253-L255 PolarHBondContact O-N 3.36Å; L255-L260 HydrophobicContact CD2-CD1 3.9Å; L255-Q263 VanDerWaalsContact CD2-OE1 3.32Å; L255-I350 HydrophobicContact CD1-CB 3.86Å; L255-I350 HydrophobicContact CD1-CD1 3.48Å; L255-I350 VanDerWaalsContact CD1-CD1 3.48Å; L255-I350 HydrophobicContact CD1-CG1 4.24Å; L255-I350 HydrophobicContact CD1-CG2 3.88Å; L255-I350 HydrophobicContact CD2-CB 4.41Å; L255-I350 HydrophobicContact CD2-CG2 3.77Å; L255-I350 HydrophobicContact CG-CB 3.78Å; L255-I350 HydrophobicContact CG-CD1 4.38Å; L255-I350 HydrophobicContact CG-CG2 3.7Å; L255-I351 PolarHBondContact N-O 3.36Å; L255-I352 HydrophobicContact CD1-CG1 4.4Å; L255-K487 HydrophobicContact CD1-CG 4.46Å
256K79.1Confident77.1Confident123 Ų12375.3 Ų75.354%0.53540%0.398SS..PPolyproline II helixtrans-96.7128.7172.7-68.2-177.4-179.6-177.30108.2T254 D258 D259 L260T254-K256 PolarHBondContact O-N 2.81Å; K256-D258 VanDerWaalsContact C-N 3.26Å; K256-D258 PolarHBondContact O-N 2.83Å; K256-D259 HydrophobicContact CB-CB 4.09Å; K256-D259 HydrophobicContact CD-CB 4.43Å; K256-D259 PolarHBondContact O-N 3.22Å; K256-L260 PolarHBondContact O-N 2.86Å
257V73.5Confident78.6Confident55 Ų5567.6 Ų67.633%0.33337%0.365SS..SBendtrans-60.3-44.2-178.5176.80000110.6D259 R356 K487V257-D259 PolarHBondContact O-N 2.84Å; V257-R356 WeakPolarHBondContact CG2-O 3.45Å; V257-K487 VanDerWaalsContact CA-NZ 3.27Å; V257-K487 PolarHBondContact O-NZ 2.88Å
258D79.2Confident80.1Confident164 Ų16461.9 Ų61.988%0.87735%0.349SS*.THydrogen-bonded Turntrans-79.1-15.8-173.6-46.9-37.9000114.4K256K256-D258 VanDerWaalsContact C-N 3.26Å; K256-D258 PolarHBondContact O-N 2.83Å
259D81.8Confident81.6Confident76 Ų7658.3 Ų58.341%0.40632%0.317SS..THydrogen-bonded Turntrans-126.720.6-173.9-172.937.8000113.1K256 V257 K261 G262 Q263K256-D259 HydrophobicContact CB-CB 4.09Å; K256-D259 HydrophobicContact CD-CB 4.43Å; K256-D259 PolarHBondContact O-N 3.22Å; V257-D259 PolarHBondContact O-N 2.84Å; D259-K261 VanDerWaalsContact C-N 3.26Å; D259-K261 PolarHBondContact O-N 3.25Å; D259-G262 PolarHBondContact O-N 2.82Å; D259-G262 VanDerWaalsContact O-N 3.09Å; D259-G262 WeakPolarHBondContact OD1-CA 3.43Å; D259-Q263 WeakPolarHBondContact O-CG 3.01Å; D259-Q263 PolarHBondContact O-N 2.85Å
260L79.1Confident82.8Confident12 Ų1257.9 Ų57.96%0.06330%0.304CS..Hα-helixtrans-56-42.6-178.917868000112.3L255 K256 G262 Q263 L264 K487 V491L255-L260 HydrophobicContact CD2-CD1 3.9Å; K256-L260 PolarHBondContact O-N 2.86Å; L260-G262 PolarHBondContact O-N 2.78Å; L260-Q263 PolarHBondContact O-N 2.8Å; L260-L264 HydrophobicContact CG-CD1 4.4Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 2.81Å; L260-K487 HydrophobicContact CD1-CG 4.19Å; L260-K487 HydrophobicContact CD2-CD 3.74Å; L260-K487 HydrophobicContact CD2-CG 3.64Å; L260-K487 WeakPolarHBondContact CD2-O 3.49Å; L260-V491 HydrophobicContact CD2-CG2 3.17Å; L260-V491 HydrophobicContact CG-CG2 3.75Å
261K80.9Confident83.9Confident107 Ų10756.8 Ų56.847%0.46530%0.3SS..Hα-helixtrans-60-45.8176.7-177.6178.4179.2176.60111.3D259 Q263 L264 L265D259-K261 VanDerWaalsContact C-N 3.26Å; D259-K261 PolarHBondContact O-N 3.25Å; K261-Q263 VanDerWaalsContact C-N 3.31Å; K261-Q263 PolarHBondContact O-N 2.89Å; K261-L264 PolarHBondContact O-N 2.84Å; K261-L265 HydrophobicContact CG-CD1 4.08Å; K261-L265 HydrophobicContact CG-CG 4.45Å; K261-L265 WeakPolarHBondContact O-CB 3.38Å; K261-L265 VanDerWaalsContact O-CG 3.24Å; K261-L265 WeakPolarHBondContact O-CG 3.44Å; K261-L265 PolarHBondContact O-N 3.18Å
262G84Confident84.4Confident28 Ų2850.6 Ų50.629%0.28928%0.277SS..Hα-helixtrans-61.3-40.8177.500000112.1D259 L260 L265 A266D259-G262 PolarHBondContact O-N 2.82Å; D259-G262 VanDerWaalsContact O-N 3.09Å; D259-G262 WeakPolarHBondContact OD1-CA 3.43Å; L260-G262 PolarHBondContact O-N 2.78Å; G262-L265 PolarHBondContact O-N 2.85Å; G262-A266 WeakPolarHBondContact O-CB 3.16Å; G262-A266 PolarHBondContact O-N 2.88Å
263Q83.9Confident84.8Confident26 Ų2649.6 Ų49.612%0.12127%0.273CS..Hα-helixtrans-62.8-44.7175.6-67.9-176.3-13.200112.6T254 L255 D259 L260 K261 A266 M267T254-Q263 PolarHBondContact O-NE2 3.15Å; L255-Q263 VanDerWaalsContact CD2-OE1 3.32Å; D259-Q263 WeakPolarHBondContact O-CG 3.01Å; D259-Q263 PolarHBondContact O-N 2.85Å; L260-Q263 PolarHBondContact O-N 2.8Å; K261-Q263 VanDerWaalsContact C-N 3.31Å; K261-Q263 PolarHBondContact O-N 2.89Å; Q263-A266 PolarHBondContact O-N 3.44Å; Q263-M267 WeakPolarHBondContact O-CG 3.29Å; Q263-M267 PolarHBondContact O-N 3.11Å
264L83.5Confident85.2Confident60 Ų6048.1 Ų48.131%0.31426%0.264SS..Hα-helixtrans-65-42.2176.8-72.6177.5000112.3L260 K261 A266 M267 A268 V491L260-L264 HydrophobicContact CG-CD1 4.4Å; L260-L264 WeakPolarHBondContact O-CG 3.38Å; L260-L264 PolarHBondContact O-N 2.81Å; K261-L264 PolarHBondContact O-N 2.84Å; L264-A266 VanDerWaalsContact C-N 3.28Å; L264-A266 PolarHBondContact O-N 3.16Å; L264-M267 HydrophobicContact CD2-SD 4.38Å; L264-M267 WeakPolarHBondContact O-CB 3.4Å; L264-M267 PolarHBondContact O-N 2.9Å; L264-M267 VanDerWaalsContact O-N 3.11Å; L264-A268 PolarHBondContact O-N 3.21Å; L264-V491 HydrophobicContact CD1-CB 4.06Å; L264-V491 HydrophobicContact CD1-CG1 3.52Å; L264-V491 HydrophobicContact CD1-CG2 3.5Å
265L84.8Confident85.7Confident33 Ų3347.8 Ų47.817%0.17326%0.26CS..Hα-helixtrans-62.7-36175.1-68.5176.7000111.8Y230 K261 G262 M267 A268 S269Y230-L265 HydrophobicContact CD1-CB 3.86Å; Y230-L265 HydrophobicContact CD1-CD2 4.19Å; Y230-L265 WeakPolarHBondContact CD1-O 3.32Å; Y230-L265 HydrophobicContact CD2-CD2 3.68Å; Y230-L265 HydrophobicContact CE1-CB 3.74Å; Y230-L265 HydrophobicContact CE1-CD1 4.3Å; Y230-L265 HydrophobicContact CE1-CD2 4.25Å; Y230-L265 HydrophobicContact CE1-CG 4.31Å; Y230-L265 HydrophobicContact CE2-CD1 4.28Å; Y230-L265 HydrophobicContact CE2-CD2 3.74Å; Y230-L265 HydrophobicContact CE2-CG 4.46Å; Y230-L265 HydrophobicContact CG-CB 4.41Å; Y230-L265 HydrophobicContact CG-CD2 3.9Å; K261-L265 HydrophobicContact CG-CD1 4.08Å; K261-L265 HydrophobicContact CG-CG 4.45Å; K261-L265 WeakPolarHBondContact O-CB 3.38Å; K261-L265 VanDerWaalsContact O-CG 3.24Å; K261-L265 WeakPolarHBondContact O-CG 3.44Å; K261-L265 PolarHBondContact O-N 3.18Å; G262-L265 PolarHBondContact O-N 2.85Å; L265-M267 VanDerWaalsContact C-N 3.33Å; L265-A268 PolarHBondContact O-N 2.87Å; L265-S269 WeakPolarHBondContact O-CB 3.34Å; L265-S269 PolarHBondContact O-N 2.84Å
266A85Confident86.4Confident49 Ų4948.4 Ų48.441%0.40526%0.262SS..Hα-helixtrans-71-24.7174.300000113.7G262 Q263 L264 S269G262-A266 WeakPolarHBondContact O-CB 3.16Å; G262-A266 PolarHBondContact O-N 2.88Å; Q263-A266 PolarHBondContact O-N 3.44Å; L264-A266 VanDerWaalsContact C-N 3.28Å; L264-A266 PolarHBondContact O-N 3.16Å; A266-S269 PolarHBondContact O-OG 2.71Å; A266-S269 VanDerWaalsContact O-OG 3.09Å
267M86.8Confident87.2Confident22 Ų2242.7 Ų42.711%0.10824%0.237CC..Hα-helixtrans-74.2-49.4168.1-65.7-179.2-160.900110.3Q263 L264 L265 S269 K270 L342 L347Q263-M267 WeakPolarHBondContact O-CG 3.29Å; Q263-M267 PolarHBondContact O-N 3.11Å; L264-M267 HydrophobicContact CD2-SD 4.38Å; L264-M267 WeakPolarHBondContact O-CB 3.4Å; L264-M267 PolarHBondContact O-N 2.9Å; L264-M267 VanDerWaalsContact O-N 3.11Å; L265-M267 VanDerWaalsContact C-N 3.33Å; M267-S269 PolarHBondContact O-N 3.12Å; M267-K270 WeakPolarHBondContact O-CB 3.3Å; M267-K270 PolarHBondContact O-N 3.4Å; M267-L342 HydrophobicContact CB-CD2 4.35Å; M267-L347 VanDerWaalsContact CE-O 3.29Å; M267-L347 WeakPolarHBondContact CE-O 3.05Å; M267-L347 HydrophobicContact SD-CB 4.3Å; M267-L347 VanDerWaalsContact SD-O 3.41Å
268A87.5Confident88.3Confident23 Ų2340.8 Ų40.819%0.1923%0.226CC..Hα-helixtrans-58.7-3417900000112.4L229 L264 L265 K270 L271L229-A268 HydrophobicContact CB-CB 4.3Å; L264-A268 PolarHBondContact O-N 3.21Å; L265-A268 PolarHBondContact O-N 2.87Å; A268-K270 PolarHBondContact O-N 2.91Å; A268-K270 VanDerWaalsContact O-N 3.17Å; A268-L271 PolarHBondContact O-N 2.87Å
269S88.5Confident89.1Confident35 Ų3536.7 Ų36.725%0.24520%0.198CC..THydrogen-bonded Turntrans-66.8-15.5178.272.20000114.7Y230 L265 A266 M267Y230-S269 VanDerWaalsContact O-CA 3.32Å; Y230-S269 WeakPolarHBondContact O-CA 3.45Å; L265-S269 WeakPolarHBondContact O-CB 3.34Å; L265-S269 PolarHBondContact O-N 2.84Å; A266-S269 PolarHBondContact O-OG 2.71Å; A266-S269 VanDerWaalsContact O-OG 3.09Å; M267-S269 PolarHBondContact O-N 3.12Å
270K89.5Confident89.8Confident80 Ų8036.8 Ų36.835%0.34820%0.199SC..THydrogen-bonded Turntrans-89.8-8.2175.9-62.3172.1-174.51660112.6M267 A268 I303 L347M267-K270 WeakPolarHBondContact O-CB 3.3Å; M267-K270 PolarHBondContact O-N 3.4Å; A268-K270 PolarHBondContact O-N 2.91Å; A268-K270 VanDerWaalsContact O-N 3.17Å; K270-I303 WeakPolarHBondContact O-CG1 3.4Å; K270-I303 PolarHBondContact O-N 3.31Å; K270-L347 HydrophobicContact CD-CD2 4.49Å
271L92.6Very high90.6Very high2 Ų236.4 Ų36.41%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-106.2143.8-174.4-60.3178.7000110.6R228 L229 A268 V300 R301 I302 M338 Q341 L342R228-L271 WeakPolarHBondContact CA-O 3.41Å; L229-L271 HydrophobicContact CB-CB 4.42Å; L229-L271 HydrophobicContact CD1-CB 3.7Å; L229-L271 HydrophobicContact CD1-CD1 3.92Å; L229-L271 HydrophobicContact CD1-CG 4.49Å; L229-L271 HydrophobicContact CG-CB 4Å; L229-L271 PolarHBondContact N-O 2.86Å; A268-L271 PolarHBondContact O-N 2.87Å; L271-V300 HydrophobicContact CB-CG1 4Å; L271-V300 HydrophobicContact CD1-CG1 4.1Å; L271-V300 HydrophobicContact CD2-CG1 4.38Å; L271-V300 HydrophobicContact CG-CG1 4.4Å; L271-R301 CarbonylContact C-O 3.59Å; L271-R301 VanDerWaalsContact CA-O 3.22Å; L271-R301 WeakPolarHBondContact CA-O 3.46Å; L271-I302 HydrophobicContact CD2-CB 4.28Å; L271-M338 HydrophobicContact CD1-CG 3.97Å; L271-Q341 HydrophobicContact CD2-CB 4.02Å; L271-L342 HydrophobicContact CD1-CD2 3.87Å; L271-L342 HydrophobicContact CD1-CG 4.29Å
272S93.8Very high91.3Very high3 Ų335.2 Ų35.22%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-119.7150.9171.653.40000110.9E226 I227 V300 R301E226-S272 WeakPolarHBondContact OE1-CB 3.29Å; E226-S272 PolarHBondContact OE1-OG 3.35Å; I227-S272 CarbonylContact O-C 3.54Å; I227-S272 WeakPolarHBondContact O-CA 3.28Å; S272-V300 CarbonylContact O-C 3.39Å; S272-V300 VanDerWaalsContact O-CA 3.26Å; S272-V300 WeakPolarHBondContact O-CA 3.09Å; S272-R301 PolarHBondContact N-O 3.15Å; S272-R301 PolarHBondContact O-N 3.27Å; S272-R301 PolarHBondContact OG-O 3.45Å
273L94.7Very high91.9Very high21 Ų2134.8 Ų34.811%0.1118%0.184CC..EExtended strand (participates in β ladder)trans-109.3123.7173.8178.364.5000108.7I37 E226 I227 L229 L275 V300 T334I37-L273 HydrophobicContact CD1-CD1 3.91Å; I37-L273 HydrophobicContact CD1-CD2 3.82Å; I37-L273 HydrophobicContact CD1-CG 4.28Å; E226-L273 WeakPolarHBondContact CA-O 3.29Å; I227-L273 HydrophobicContact CD1-CD2 4.32Å; I227-L273 HydrophobicContact CG1-CB 3.99Å; I227-L273 HydrophobicContact CG1-CD2 4.44Å; I227-L273 PolarHBondContact N-O 3.22Å; I227-L273 PolarHBondContact O-N 3.1Å; L229-L273 HydrophobicContact CD2-CB 3.81Å; L273-L275 HydrophobicContact CD2-CD2 3.83Å; L273-L275 HydrophobicContact CG-CD2 3.92Å; L273-L275 HydrophobicContact CG-CG 4.36Å; L273-V300 HydrophobicContact CD1-CG2 3.82Å; L273-T334 HydrophobicContact CD1-CG2 4.04Å
274D95.1Very high92.4Very high15 Ų1534.6 Ų34.68%0.0819%0.185CC..EExtended strand (participates in β ladder)trans-80.8117.7176.6-167.3-24.9000110.3H276 N297 G298 Q299D274-H276 WeakPolarHBondContact OD1-CB 3.34Å; D274-H276 IonicContact OD1-CE1 2.84Å; D274-H276 IonicContact OD1-CG 3.74Å; D274-H276 PolarHBondContact OD1-N 3.29Å; D274-H276 IonicContact OD1-ND1 3.1Å; D274-H276 PolarHBondContact OD1-ND1 3.12Å; D274-H276 IonicContact OD2-ND1 3.13Å; D274-N297 HydrophobicContact CB-CB 4.25Å; D274-G298 WeakPolarHBondContact O-CA 3.31Å; D274-G298 PolarHBondContact O-N 3.49Å; D274-Q299 HydrophobicContact CB-CB 4.39Å; D274-Q299 WeakPolarHBondContact CB-O 3.25Å; D274-Q299 PolarHBondContact N-O 3.22Å
275L95.4Very high92.7Very high41 Ų4138.4 Ų38.422%0.21520%0.195CC..  trans-113.818.9179.8-59.8178.9000111.9I37 T225 I227 L273 L296I37-L275 HydrophobicContact CD1-CD2 4.3Å; T225-L275 CarbonylContact O-C 3.6Å; T225-L275 WeakPolarHBondContact O-CA 3.39Å; T225-L275 PolarHBondContact O-N 3.2Å; I227-L275 HydrophobicContact CD1-CD1 3.86Å; I227-L275 HydrophobicContact CG1-CD1 3.9Å; I227-L275 HydrophobicContact CG1-CG 4.47Å; I227-L275 HydrophobicContact CG2-CD1 4.11Å; L273-L275 HydrophobicContact CD2-CD2 3.83Å; L273-L275 HydrophobicContact CG-CD2 3.92Å; L273-L275 HydrophobicContact CG-CG 4.36Å; L275-L296 HydrophobicContact CD2-CD1 4.05Å
276H95.8Very high92.8Very high41 Ų4137 Ų3719%0.1919%0.189CC..  trans-62.3144.8170.1-69.288.8000110.4A154 N155 T225 D274 L296 N297A154-H276 PolarHBondContact O-CD2 3.32Å; N155-H276 HydrophobicContact CB-CB 3.93Å; N155-H276 CarbonylContact O-C 3.56Å; N155-H276 WeakPolarHBondContact O-CA 3.35Å; N155-H276 VanDerWaalsContact O-CB 3.29Å; N155-H276 WeakPolarHBondContact O-CB 3.45Å; N155-H276 PolarHBondContact O-CD2 3.38Å; T225-H276 VanDerWaalsContact CB-NE2 3.34Å; T225-H276 WeakPolarHBondContact CB-NE2 3.29Å; T225-H276 PolarHBondContact O-N 2.81Å; T225-H276 PolarHBondContact OG1-CE1 2.94Å; T225-H276 PolarHBondContact OG1-NE2 2.9Å; D274-H276 WeakPolarHBondContact OD1-CB 3.34Å; D274-H276 IonicContact OD1-CE1 2.84Å; D274-H276 IonicContact OD1-CG 3.74Å; D274-H276 PolarHBondContact OD1-N 3.29Å; D274-H276 IonicContact OD1-ND1 3.1Å; D274-H276 PolarHBondContact OD1-ND1 3.12Å; D274-H276 IonicContact OD2-ND1 3.13Å; H276-L296 CarbonylContact O-C 3.59Å; H276-L296 WeakPolarHBondContact O-CA 3.35Å; H276-N297 PolarHBondContact O-N 3.17Å
277I96.3Very high92.7Very high3 Ų337.9 Ų37.92%0.01520%0.203CC..BIsolated β-bridgetrans-75.7138.3176.6-156-176000108.9I149 L151 N155 A157 R279 I294 P295I149-I277 HydrophobicContact CG2-CD1 4.29Å; L151-I277 HydrophobicContact CB-CG2 4.42Å; L151-I277 HydrophobicContact CD1-CG2 3.49Å; L151-I277 VanDerWaalsContact CD1-CG2 3.49Å; L151-I277 VanDerWaalsContact CD1-O 3.3Å; L151-I277 WeakPolarHBondContact CD1-O 3.36Å; N155-I277 PolarHBondContact O-N 3.22Å; A157-I277 HydrophobicContact CB-CD1 4.35Å; I277-R279 WeakPolarHBondContact CD1-O 3.41Å; I277-R279 VanDerWaalsContact CG1-O 3.24Å; I277-R279 WeakPolarHBondContact CG1-O 3.39Å; I277-I294 HydrophobicContact CD1-CG2 3.97Å; I277-I294 HydrophobicContact CG1-CG2 4.22Å; I277-P295 WeakPolarHBondContact CA-O 3.32Å; I277-P295 HydrophobicContact CG1-CG 4.37Å; I277-P295 WeakPolarHBondContact CG1-O 3.41Å
278V96.4Very high92.5Very high15 Ų1543.8 Ų43.89%0.09124%0.24CC..  trans-101.2-15.6-175.2-65.50000114.2R33 P35 P295 N297R33-V278 WeakPolarHBondContact O-CG2 3.28Å; P35-V278 HydrophobicContact CB-CG2 4.42Å; V278-P295 HydrophobicContact CG2-CB 3.92Å; V278-P295 HydrophobicContact CG2-CG 4.45Å; V278-P295 PolarHBondContact N-O 3Å; V278-N297 HydrophobicContact CG1-CB 3.81Å
279R95.9Very high92.5Very high78 Ų7844.6 Ų44.629%0.29424%0.244SC..SBendtrans-165173.4177.964-175.2-177.2-173.8-2.6109.1I277 E293 P295I277-R279 WeakPolarHBondContact CD1-O 3.41Å; I277-R279 VanDerWaalsContact CG1-O 3.24Å; I277-R279 WeakPolarHBondContact CG1-O 3.39Å; R279-E293 IonicContact CZ-OE1 3.65Å; R279-E293 IonicContact NH2-OE1 3.39Å; R279-E293 PolarHBondContact NH2-OE1 2.9Å; R279-P295 HydrophobicContact CB-CG 4.49Å; R279-P295 HydrophobicContact CG-CB 4Å; R279-P295 HydrophobicContact CG-CG 3.31Å; R279-P295 WeakPolarHBondContact O-CG 3.27Å
280D96.2Very high92.7Very high79 Ų7943.8 Ų43.842%0.42224%0.238SC..  trans-57.1147.3174.2-63.4-12.4000111.3R150 L151R150-D280 WeakPolarHBondContact CA-OD1 3.33Å; L151-D280 WeakPolarHBondContact CB-OD1 3.05Å; L151-D280 PolarHBondContact N-OD1 3.21Å
281A96.9Very high93Very high4 Ų440 Ų403%0.03322%0.222CC..  trans-63162.3169.500000109.7H106 I149 L292 E293 I294H106-A281 PolarHBondContact CE1-O 3.18Å; H106-A281 PolarHBondContact NE2-O 2.83Å; I149-A281 HydrophobicContact CB-CB 3.77Å; I149-A281 HydrophobicContact CG2-CB 4.18Å; I149-A281 WeakPolarHBondContact O-CB 3.23Å; I149-A281 PolarHBondContact O-N 3.11Å; A281-L292 HydrophobicContact CB-CD1 3.91Å; A281-E293 WeakPolarHBondContact CA-O 3.44Å; A281-E293 VanDerWaalsContact CB-O 3.29Å; A281-E293 WeakPolarHBondContact CB-O 3.49Å; A281-I294 HydrophobicContact CB-CG1 4.34Å
282K95.4Very high93.2Very high81 Ų8140.1 Ų40.135%0.35222%0.222SC..EExtended strand (participates in β ladder)trans-146.4151.1174.859.4170.8-178.7150.10110.4S284 E293K282-S284 WeakPolarHBondContact CE-OG 3.34Å; K282-S284 PolarHBondContact NZ-OG 3.14Å; K282-E293 WeakPolarHBondContact CE-OE1 3.43Å; K282-E293 WeakPolarHBondContact CE-OE2 3.22Å; K282-E293 HydrophobicContact CG-CB 4.12Å; K282-E293 PolarHBondContact N-O 3.24Å; K282-E293 IonicContact NZ-OE1 3.52Å; K282-E293 IonicContact NZ-OE2 3.65Å; K282-E293 PolarHBondContact NZ-OE2 2.77Å; K282-E293 PolarHBondContact O-N 3.49Å
283V96.6Very high93.3Very high20 Ų2040.7 Ų40.712%0.12123%0.225CC..EExtended strand (participates in β ladder)trans-88.3124.8168.5-174.60000108.5L99 V100 T101 H106 Y291 L292L99-V283 HydrophobicContact CB-CG1 3.81Å; L99-V283 HydrophobicContact CB-CG2 4.45Å; L99-V283 HydrophobicContact CD1-CG1 4.3Å; L99-V283 HydrophobicContact CD2-CG1 4.29Å; L99-V283 HydrophobicContact CD2-CG2 4.05Å; L99-V283 HydrophobicContact CG-CG1 4.38Å; V100-V283 VanDerWaalsContact O-CG2 3.24Å; V100-V283 WeakPolarHBondContact O-CG2 3.46Å; T101-V283 HydrophobicContact CG2-CB 4.16Å; T101-V283 HydrophobicContact CG2-CG1 3.53Å; H106-V283 HydrophobicContact CB-CG2 4.05Å; H106-V283 WeakPolarHBondContact O-CG2 3.5Å; V283-Y291 WeakPolarHBondContact CA-O 3.37Å; V283-L292 HydrophobicContact CG2-CD1 4.17Å
284S93.1Very high93.4Very high21 Ų2140.8 Ų40.815%0.14723%0.225CC..EExtended strand (participates in β ladder)trans-126170.4178.8-66.80000110.2K282 S290 Y291K282-S284 WeakPolarHBondContact CE-OG 3.34Å; K282-S284 PolarHBondContact NZ-OG 3.14Å; S284-S290 WeakPolarHBondContact O-CA 3.39Å; S284-Y291 PolarHBondContact N-O 3.05Å; S284-Y291 WeakPolarHBondContact O-CD1 3.49Å; S284-Y291 PolarHBondContact O-N 2.78Å
285R90.1Very high93.5Very high140 Ų14040.1 Ų40.153%0.52822%0.222SC..EExtended strand (participates in β ladder)trans-121141.4177.8-69.2-174173.895.33.2110.9T101 S289T101-R285 PolarHBondContact OG1-NH2 2.83Å; T101-R285 VanDerWaalsContact OG1-NH2 3.14Å; R285-S289 CarbonylContact C-O 3.43Å; R285-S289 WeakPolarHBondContact CA-O 3.42Å
286A87.1Confident93.6Very high5 Ų539.4 Ų39.44%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-126.1103169.600000107.7T288 S289 Y291 P318 L321A286-T288 PolarHBondContact O-N 3.21Å; A286-S289 PolarHBondContact N-O 3.2Å; A286-S289 PolarHBondContact O-N 3.41Å; A286-S289 VanDerWaalsContact O-N 3.15Å; A286-Y291 HydrophobicContact CB-CD1 4.22Å; A286-Y291 HydrophobicContact CB-CE1 3.67Å; A286-P318 HydrophobicContact CB-CG 4.22Å; A286-P318 WeakPolarHBondContact CB-O 3.19Å; A286-L321 HydrophobicContact CB-CD1 4.14Å; A286-L321 HydrophobicContact CB-CG 3.94Å
287G84Confident93.6Very high67 Ų6738.7 Ų38.769%0.69122%0.216SC*.THydrogen-bonded Turntrans60.6-125.5-167.700000111.2
288T82.2Confident93.6Very high145 Ų14538.6 Ų38.689%0.8922%0.215SC*.THydrogen-bonded Turntrans-85.6-7.1178.254.60000113.6A286A286-T288 PolarHBondContact O-N 3.21Å
289S87.2Confident93.6Very high41 Ų4138.2 Ų38.229%0.28721%0.212SC..EExtended strand (participates in β ladder)trans-97.4128.9-175.2-56.10000111.8R285 A286R285-S289 CarbonylContact C-O 3.43Å; R285-S289 WeakPolarHBondContact CA-O 3.42Å; A286-S289 PolarHBondContact N-O 3.2Å; A286-S289 PolarHBondContact O-N 3.41Å; A286-S289 VanDerWaalsContact O-N 3.15Å
290S92.1Very high93.6Very high17 Ų1734.7 Ų34.712%0.11920%0.199CC..EExtended strand (participates in β ladder)trans-87.8148.2168.6-60.60000110.9L99 S284L99-S290 VanDerWaalsContact CD1-C 3.42Å; L99-S290 WeakPolarHBondContact CD1-O 3.49Å; S284-S290 WeakPolarHBondContact O-CA 3.39Å
291Y95.5Very high93.4Very high2 Ų232.9 Ų32.91%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-147.4151174.660.8-86.9000111.6L40 V41 L99 V283 S284 A286 E293 L321L40-Y291 HydrophobicContact CB-CD2 3.9Å; L40-Y291 HydrophobicContact CB-CG 4.4Å; L40-Y291 HydrophobicContact CD1-CD2 4.41Å; L40-Y291 HydrophobicContact CD1-CE2 4.33Å; L40-Y291 HydrophobicContact CD2-CD2 3.89Å; L40-Y291 HydrophobicContact CD2-CE2 3.77Å; L40-Y291 HydrophobicContact CG-CD2 4.29Å; L40-Y291 HydrophobicContact CG-CE2 4.44Å; V41-Y291 CarbonylContact O-C 3.44Å; V41-Y291 WeakPolarHBondContact O-CA 3.22Å; V41-Y291 WeakPolarHBondContact O-CB 3.5Å; L99-Y291 VanDerWaalsContact CD1-CA 3.44Å; V283-Y291 WeakPolarHBondContact CA-O 3.37Å; S284-Y291 PolarHBondContact N-O 3.05Å; S284-Y291 WeakPolarHBondContact O-CD1 3.49Å; S284-Y291 PolarHBondContact O-N 2.78Å; A286-Y291 HydrophobicContact CB-CD1 4.22Å; A286-Y291 HydrophobicContact CB-CE1 3.67Å; Y291-E293 HydrophobicContact CD2-CB 4.27Å; Y291-E293 HydrophobicContact CE2-CB 4Å; Y291-L321 HydrophobicContact CD1-CD1 3.25Å; Y291-L321 HydrophobicContact CD2-CD1 4.46Å; Y291-L321 HydrophobicContact CE1-CD1 3.86Å; Y291-L321 HydrophobicContact CG-CD1 3.6Å
292L97.1Very high93.2Very high3 Ų333.7 Ų33.72%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-86116.3168.1178.763.3000109.3L40 V41 L99 H106 L107 I149 A281 V283 I294L40-L292 CarbonylContact C-O 3.45Å; L40-L292 WeakPolarHBondContact CA-O 3.35Å; V41-L292 HydrophobicContact CB-CB 4.22Å; V41-L292 PolarHBondContact N-O 3.49Å; V41-L292 PolarHBondContact O-N 3.42Å; L99-L292 HydrophobicContact CD2-CB 3.67Å; H106-L292 HydrophobicContact CB-CD1 3.87Å; L107-L292 HydrophobicContact CD1-CD2 4Å; L107-L292 HydrophobicContact CD2-CD2 4.28Å; L107-L292 HydrophobicContact CG-CD2 4.17Å; I149-L292 HydrophobicContact CD1-CD2 3.86Å; A281-L292 HydrophobicContact CB-CD1 3.91Å; V283-L292 HydrophobicContact CG2-CD1 4.17Å; L292-I294 HydrophobicContact CG-CG1 4.32Å
293E96.6Very high92.9Very high15 Ų1532.2 Ų32.27%0.0719%0.185CC..EExtended strand (participates in β ladder)trans-91117.3174-172.8-173.1124.900109.8A38 L40 R279 A281 K282 Y291 P295A38-E293 HydrophobicContact CB-CG 4.07Å; L40-E293 HydrophobicContact CD2-CB 4.19Å; L40-E293 HydrophobicContact CD2-CG 3.89Å; R279-E293 IonicContact CZ-OE1 3.65Å; R279-E293 IonicContact NH2-OE1 3.39Å; R279-E293 PolarHBondContact NH2-OE1 2.9Å; A281-E293 WeakPolarHBondContact CA-O 3.44Å; A281-E293 VanDerWaalsContact CB-O 3.29Å; A281-E293 WeakPolarHBondContact CB-O 3.49Å; K282-E293 WeakPolarHBondContact CE-OE1 3.43Å; K282-E293 WeakPolarHBondContact CE-OE2 3.22Å; K282-E293 HydrophobicContact CG-CB 4.12Å; K282-E293 PolarHBondContact N-O 3.24Å; K282-E293 IonicContact NZ-OE1 3.52Å; K282-E293 IonicContact NZ-OE2 3.65Å; K282-E293 PolarHBondContact NZ-OE2 2.77Å; K282-E293 PolarHBondContact O-N 3.49Å; Y291-E293 HydrophobicContact CD2-CB 4.27Å; Y291-E293 HydrophobicContact CE2-CB 4Å; E293-P295 WeakPolarHBondContact O-CD 3.42Å
294I96.7Very high92.4Very high24 Ų2434 Ų3412%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-103.4108.7169.1-48.5-176000108.2L39 I149 I277 A281 L292 L296L39-I294 HydrophobicContact CB-CB 4.16Å; L39-I294 HydrophobicContact CD2-CD1 4.33Å; L39-I294 PolarHBondContact N-O 3.05Å; L39-I294 PolarHBondContact O-N 3.28Å; I149-I294 HydrophobicContact CD1-CD1 3.68Å; I149-I294 HydrophobicContact CD1-CG1 4.37Å; I277-I294 HydrophobicContact CD1-CG2 3.97Å; I277-I294 HydrophobicContact CG1-CG2 4.22Å; A281-I294 HydrophobicContact CB-CG1 4.34Å; L292-I294 HydrophobicContact CG-CG1 4.32Å; I294-L296 HydrophobicContact CG2-CD2 4Å
295P97Very high92.1Very high0 Ų033.4 Ų33.40%021%0.206CC..EExtended strand (participates in β ladder)trans-87.8113.8-172.331.5-31.5000111.4P35 I277 V278 R279 E293P35-P295 HydrophobicContact CB-CB 3.8Å; P35-P295 HydrophobicContact CG-CB 4.16Å; I277-P295 WeakPolarHBondContact CA-O 3.32Å; I277-P295 HydrophobicContact CG1-CG 4.37Å; I277-P295 WeakPolarHBondContact CG1-O 3.41Å; V278-P295 HydrophobicContact CG2-CB 3.92Å; V278-P295 HydrophobicContact CG2-CG 4.45Å; V278-P295 PolarHBondContact N-O 3Å; R279-P295 HydrophobicContact CB-CG 4.49Å; R279-P295 HydrophobicContact CG-CB 4Å; R279-P295 HydrophobicContact CG-CG 3.31Å; R279-P295 WeakPolarHBondContact O-CG 3.27Å; E293-P295 WeakPolarHBondContact O-CD 3.42Å
296L97.1Very high92.1Very high26 Ų2630.2 Ų30.214%0.13620%0.203CC..EExtended strand (participates in β ladder)trans-106.2151.9-177.8-50179.6000111.3P35 G36 I37 L275 H276 I294 G298P35-L296 CarbonylContact C-O 3.58Å; P35-L296 VanDerWaalsContact CA-O 3.31Å; P35-L296 WeakPolarHBondContact CA-O 3.44Å; G36-L296 PolarHBondContact N-O 2.71Å; I37-L296 HydrophobicContact CB-CB 4.21Å; I37-L296 HydrophobicContact CG2-CD1 4.24Å; I37-L296 PolarHBondContact N-O 3.16Å; I37-L296 VanDerWaalsContact N-O 3.14Å; I37-L296 CarbonylContact O-C 3.53Å; I37-L296 WeakPolarHBondContact O-CA 3.35Å; I37-L296 WeakPolarHBondContact O-CB 3.34Å; I37-L296 PolarHBondContact O-N 2.92Å; L275-L296 HydrophobicContact CD2-CD1 4.05Å; H276-L296 CarbonylContact O-C 3.59Å; H276-L296 WeakPolarHBondContact O-CA 3.35Å; I294-L296 HydrophobicContact CG2-CD2 4Å; L296-G298 PolarHBondContact O-N 3.22Å
297N96.2Very high92.2Very high27 Ų2736.3 Ų36.314%0.14423%0.229CC..  trans-58.9-47.8-176.3-173.8-77.4000112.4G36 D274 H276 V278 Q299G36-N297 WeakPolarHBondContact CA-O 3.32Å; G36-N297 PolarHBondContact N-O 2.81Å; D274-N297 HydrophobicContact CB-CB 4.25Å; H276-N297 PolarHBondContact O-N 3.17Å; V278-N297 HydrophobicContact CG1-CB 3.81Å; N297-Q299 PolarHBondContact O-N 2.99Å; N297-Q299 WeakPolarHBondContact OD1-CB 3.43Å; N297-Q299 PolarHBondContact OD1-N 3.28Å; N297-Q299 VanDerWaalsContact OD1-N 3.14Å
298G96Very high92.6Very high0 Ų033.6 Ų33.60%020%0.198CC..  trans70.19.8173.800000115D274 L296 T334D274-G298 WeakPolarHBondContact O-CA 3.31Å; D274-G298 PolarHBondContact O-N 3.49Å; L296-G298 PolarHBondContact O-N 3.22Å; G298-T334 WeakPolarHBondContact O-CA 3.49Å; G298-T334 VanDerWaalsContact O-CB 3.26Å; G298-T334 WeakPolarHBondContact O-CB 3.26Å; G298-T334 VanDerWaalsContact O-CG2 3.29Å; G298-T334 WeakPolarHBondContact O-CG2 3.5Å; G298-T334 PolarHBondContact O-OG1 3.22Å
299Q95.9Very high93Very high8 Ų831.2 Ų31.24%0.03719%0.186CC..  trans-77133.8177.9-172.9-175-43.100111.1D274 N297 R301 K307 V308 F333D274-Q299 HydrophobicContact CB-CB 4.39Å; D274-Q299 WeakPolarHBondContact CB-O 3.25Å; D274-Q299 PolarHBondContact N-O 3.22Å; N297-Q299 PolarHBondContact O-N 2.99Å; N297-Q299 WeakPolarHBondContact OD1-CB 3.43Å; N297-Q299 PolarHBondContact OD1-N 3.28Å; N297-Q299 VanDerWaalsContact OD1-N 3.14Å; Q299-R301 HydrophobicContact CG-CG 4.33Å; Q299-R301 VanDerWaalsContact NE2-CD 3.28Å; Q299-K307 VanDerWaalsContact NE2-CA 3.27Å; Q299-V308 HydrophobicContact CG-CG1 4.27Å; Q299-V308 HydrophobicContact CG-CG2 3.95Å; Q299-F333 HydrophobicContact CB-CE1 3.76Å; Q299-F333 HydrophobicContact CB-CZ 3.84Å; Q299-F333 HydrophobicContact CG-CE1 4.29Å; Q299-F333 HydrophobicContact CG-CZ 3.91Å
300V95.7Very high93.3Very high3 Ų330.2 Ų30.22%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-91.4135.5168177.30000110.5L229 L271 S272 L273 T334 S337 M338 Q341L229-V300 HydrophobicContact CD1-CG1 3.86Å; L229-V300 HydrophobicContact CD1-CG2 4.34Å; L229-V300 HydrophobicContact CD2-CG2 4.5Å; L271-V300 HydrophobicContact CB-CG1 4Å; L271-V300 HydrophobicContact CD1-CG1 4.1Å; L271-V300 HydrophobicContact CD2-CG1 4.38Å; L271-V300 HydrophobicContact CG-CG1 4.4Å; S272-V300 CarbonylContact O-C 3.39Å; S272-V300 VanDerWaalsContact O-CA 3.26Å; S272-V300 WeakPolarHBondContact O-CA 3.09Å; L273-V300 HydrophobicContact CD1-CG2 3.82Å; V300-T334 HydrophobicContact CG2-CG2 4.22Å; V300-S337 PolarHBondContact N-OG 3.16Å; V300-M338 HydrophobicContact CB-CB 3.84Å; V300-M338 HydrophobicContact CG1-CB 3.82Å; V300-M338 HydrophobicContact CG1-CG 4.05Å; V300-M338 HydrophobicContact CG2-CB 4.02Å; V300-Q341 WeakPolarHBondContact O-CG 3.41Å
301R93.2Very high93.4Very high41 Ų4135.4 Ų35.416%0.15519%0.194CC..EExtended strand (participates in β ladder)trans-132.2149.4-178.9-81.7158.851.379.7-0.8111L271 S272 Q299 G305 P306L271-R301 CarbonylContact C-O 3.59Å; L271-R301 VanDerWaalsContact CA-O 3.22Å; L271-R301 WeakPolarHBondContact CA-O 3.46Å; S272-R301 PolarHBondContact N-O 3.15Å; S272-R301 PolarHBondContact O-N 3.27Å; S272-R301 PolarHBondContact OG-O 3.45Å; Q299-R301 HydrophobicContact CG-CG 4.33Å; Q299-R301 VanDerWaalsContact NE2-CD 3.28Å; R301-G305 PolarHBondContact NH1-O 2.85Å; R301-G305 PolarHBondContact NH2-O 2.88Å; R301-P306 PolarHBondContact NH1-O 2.85Å; R301-P306 VanDerWaalsContact NH1-O 3.08Å
302I92Very high93.3Very high21 Ų2135.6 Ų35.611%0.10820%0.195CC..EExtended strand (participates in β ladder)trans-70.4136.2158.5-163.9168.5000108.4Y243 L271 G304 G305 N345Y243-I302 HydrophobicContact CD2-CD1 4.46Å; Y243-I302 HydrophobicContact CD2-CG2 3.85Å; Y243-I302 HydrophobicContact CE2-CG2 4.03Å; L271-I302 HydrophobicContact CD2-CB 4.28Å; I302-G304 PolarHBondContact O-N 3.08Å; I302-G305 WeakPolarHBondContact O-CA 3.37Å; I302-G305 PolarHBondContact O-N 2.8Å; I302-N345 HydrophobicContact CD1-CB 4.08Å; I302-N345 WeakPolarHBondContact CD1-OD1 3.34Å
303I89.8Confident93.1Very high50 Ų5039.1 Ų39.126%0.25621%0.21SC..THydrogen-bonded Turntrans-57.3124.5-176.7-64.7164.4000109.8R228 K270 G305R228-I303 HydrophobicContact CG-CD1 4.12Å; K270-I303 WeakPolarHBondContact O-CG1 3.4Å; K270-I303 PolarHBondContact O-N 3.31Å; I303-G305 PolarHBondContact O-N 3.49Å
304G86.6Confident92.8Very high59 Ų5942.7 Ų42.761%0.60824%0.235SC*.THydrogen-bonded Turntrans73.35.4-176.500000115.3I302I302-G304 PolarHBondContact O-N 3.08Å
305G86.9Confident92.4Very high8 Ų843.4 Ų43.48%0.08224%0.239CC..  trans-85.5178177.200000114.4R301 I302 I303R301-G305 PolarHBondContact NH1-O 2.85Å; R301-G305 PolarHBondContact NH2-O 2.88Å; I302-G305 WeakPolarHBondContact O-CA 3.37Å; I302-G305 PolarHBondContact O-N 2.8Å; I303-G305 PolarHBondContact O-N 3.49Å
306P88.8Confident91.9Very high73 Ų7346 Ų4647%0.47426%0.255SS..PPolyproline II helixtrans-74.9161.9176.431.7-35.4000112.6R301 Q341R301-P306 PolarHBondContact NH1-O 2.85Å; R301-P306 VanDerWaalsContact NH1-O 3.08Å; P306-Q341 PolarHBondContact O-NE2 3.3Å
307K90.6Very high91.4Very high133 Ų13349 Ų4958%0.57828%0.276SS*.PPolyproline II helixtrans-69.7159.9172.3-68.1-172.8179.4-174.70109.9Q299Q299-K307 VanDerWaalsContact NE2-CA 3.27Å
308V91.8Very high91Very high9 Ų947.9 Ų47.96%0.05527%0.271CS..PPolyproline II helixtrans-72.5148.2173.3-55.70000109.7Q299 F310 F333 Y340 Q341Q299-V308 HydrophobicContact CG-CG1 4.27Å; Q299-V308 HydrophobicContact CG-CG2 3.95Å; V308-F310 HydrophobicContact CB-CD1 4Å; V308-F310 HydrophobicContact CB-CE1 3.57Å; V308-F310 HydrophobicContact CB-CZ 3.89Å; V308-F310 HydrophobicContact CG1-CE1 4.27Å; V308-F310 HydrophobicContact CG1-CZ 4.32Å; V308-F310 HydrophobicContact CG2-CD1 4.11Å; V308-F310 HydrophobicContact CG2-CD2 4.23Å; V308-F310 HydrophobicContact CG2-CE1 3.87Å; V308-F310 HydrophobicContact CG2-CE2 4Å; V308-F310 HydrophobicContact CG2-CG 4.28Å; V308-F310 HydrophobicContact CG2-CZ 3.82Å; V308-F310 PolarHBondContact O-N 2.69Å; V308-F333 HydrophobicContact CG2-CE2 3.81Å; V308-F333 HydrophobicContact CG2-CZ 4.02Å; V308-Y340 HydrophobicContact CB-CD1 4.12Å; V308-Y340 HydrophobicContact CB-CE1 4.35Å; V308-Y340 HydrophobicContact CG1-CD1 3.59Å; V308-Y340 HydrophobicContact CG1-CE1 4.12Å; V308-Y340 HydrophobicContact CG1-CG 4.31Å; V308-Q341 HydrophobicContact CG1-CG 4.46Å
309P91.2Very high90.4Very high96 Ų9654.2 Ų54.262%0.62330%0.295SS*.SBendtrans-86.726.8-173.736.6-38.1000113.4Y340P309-Y340 WeakPolarHBondContact CD-OH 3.36Å; P309-Y340 HydrophobicContact CG-CE2 4Å
310F92.6Very high89.9Confident19 Ų1962.7 Ų62.78%0.08333%0.326CS..SBendtrans-147.1166-178.457.8-89.2000109.7L26 V308 F333 N336 Y340L26-F310 HydrophobicContact CB-CD1 4.31Å; L26-F310 HydrophobicContact CB-CG 4.27Å; L26-F310 HydrophobicContact CD1-CD1 3.57Å; L26-F310 HydrophobicContact CD1-CD2 4.25Å; L26-F310 HydrophobicContact CD1-CE1 3.17Å; L26-F310 HydrophobicContact CD1-CE2 3.91Å; L26-F310 HydrophobicContact CD1-CG 4.1Å; L26-F310 HydrophobicContact CD1-CZ 3.36Å; V308-F310 HydrophobicContact CB-CD1 4Å; V308-F310 HydrophobicContact CB-CE1 3.57Å; V308-F310 HydrophobicContact CB-CZ 3.89Å; V308-F310 HydrophobicContact CG1-CE1 4.27Å; V308-F310 HydrophobicContact CG1-CZ 4.32Å; V308-F310 HydrophobicContact CG2-CD1 4.11Å; V308-F310 HydrophobicContact CG2-CD2 4.23Å; V308-F310 HydrophobicContact CG2-CE1 3.87Å; V308-F310 HydrophobicContact CG2-CE2 4Å; V308-F310 HydrophobicContact CG2-CG 4.28Å; V308-F310 HydrophobicContact CG2-CZ 3.82Å; V308-F310 PolarHBondContact O-N 2.69Å; F310-F333 AromaticContact CD2-CD2 3.61Å; F310-F333 HydrophobicContact CD2-CD2 3.61Å; F310-F333 AromaticContact CD2-CE2 3.65Å; F310-F333 HydrophobicContact CD2-CE2 3.65Å; F310-F333 AromaticContact CE2-CD2 3.5Å; F310-F333 HydrophobicContact CE2-CD2 3.5Å; F310-F333 VanDerWaalsContact CE2-CD2 3.5Å; F310-F333 AromaticContact CE2-CE2 3.61Å; F310-F333 HydrophobicContact CE2-CE2 3.61Å; F310-F333 WeakPolarHBondContact O-CE2 3.49Å; F310-N336 HydrophobicContact CE2-CB 4.38Å; F310-N336 HydrophobicContact CZ-CB 4.47Å; F310-Y340 HydrophobicContact CE1-CD2 4.03Å; F310-Y340 AromaticContact CE1-CG 3.97Å; F310-Y340 HydrophobicContact CE1-CG 3.97Å
311Y93.3Very high89.4Confident126 Ų12663.1 Ų63.149%0.49433%0.328SS..  trans-125156-173.9-65.8-69.4000111.7P32P32-Y311 HydrophobicContact CB-CD1 3.91Å; P32-Y311 HydrophobicContact CB-CE1 3.71Å
312P94.3Very high88.8Confident6 Ų665.1 Ų65.14%0.03934%0.339CS..PPolyproline II helixtrans-64.7143.9174.821.1-27.3000111.8G30 G31 N34 F333G30-P312 CarbonylContact C-O 3.58Å; G30-P312 WeakPolarHBondContact CA-O 3.4Å; G31-P312 PolarHBondContact N-O 2.96Å; N34-P312 HydrophobicContact CB-CB 4.1Å; N34-P312 HydrophobicContact CB-CG 3.88Å; N34-P312 VanDerWaalsContact CB-O 3.25Å; N34-P312 WeakPolarHBondContact CB-O 3.39Å; N34-P312 PolarHBondContact ND2-O 2.97Å; N34-P312 WeakPolarHBondContact O-CG 3.48Å; P312-F333 HydrophobicContact CB-CB 3.72Å; P312-F333 HydrophobicContact CB-CD1 3.79Å; P312-F333 HydrophobicContact CB-CD2 4.11Å; P312-F333 HydrophobicContact CB-CE1 4.44Å; P312-F333 HydrophobicContact CB-CG 3.59Å; P312-F333 HydrophobicContact CG-CD1 4Å; P312-F333 HydrophobicContact CG-CD2 4.43Å; P312-F333 HydrophobicContact CG-CE1 4.16Å; P312-F333 HydrophobicContact CG-CG 4.14Å; P312-F333 HydrophobicContact CG-CZ 4.47Å
313K93.2Very high88.5Confident77 Ų7768 Ų6834%0.33536%0.361SS..PPolyproline II helixtrans-71.8160.1167.1-67.9-179.5179.7-178.30110.3D27 S29 M315 E332D27-K313 WeakPolarHBondContact OD2-CE 3.45Å; D27-K313 IonicContact OD2-NZ 2.92Å; D27-K313 PolarHBondContact OD2-NZ 2.76Å; S29-K313 WeakPolarHBondContact OG-CE 3.2Å; K313-M315 PolarHBondContact O-N 3.14Å; K313-E332 IonicContact NZ-OE1 2.86Å
314P90.9Very high88.7Confident91 Ų9166.8 Ų66.859%0.59135%0.354SS*.PPolyproline II helixtrans-55.6129.8169.6-23.234.4000110.1N34N34-P314 WeakPolarHBondContact ND2-CD 3.35Å
315M87.2Confident89.1Confident39 Ų3965.3 Ų65.319%0.19233%0.332CS..PPolyproline II helixtrans-82.6120.9178.2-172.5177.9-8000108.6P35 A38 K313 L329P35-M315 HydrophobicContact CG-CB 4.28Å; P35-M315 HydrophobicContact CG-SD 4.44Å; A38-M315 HydrophobicContact CB-CE 4.49Å; A38-M315 HydrophobicContact CB-SD 3.61Å; K313-M315 PolarHBondContact O-N 3.14Å; M315-L329 HydrophobicContact CE-CG 4.06Å; M315-L329 HydrophobicContact CG-CD2 3.49Å; M315-L329 VanDerWaalsContact CG-CD2 3.49Å; M315-L329 HydrophobicContact CG-CG 4Å; M315-L329 HydrophobicContact SD-CB 3.92Å; M315-L329 HydrophobicContact SD-CD2 3.29Å; M315-L329 WeakPolarHBondContact SD-CD2 3.3Å; M315-L329 HydrophobicContact SD-CG 3.39Å; M315-L329 WeakPolarHBondContact SD-CG 3.18Å
316P86.2Confident89.5Confident54 Ų5466.2 Ų66.235%0.35133%0.334SS..PPolyproline II helixtrans-66151.2174.928-32.5000109.9E515P316-E515 HydrophobicContact CG-CB 4.25Å; P316-E515 WeakPolarHBondContact CG-O 3.28Å
317P86.6Confident89.8Confident88 Ų8862.7 Ų62.757%0.57131%0.312SS*.PPolyproline II helixtrans-60.8143.1171.827.7-33.6000109.6
318P88.1Confident90Very high5 Ų558.2 Ų58.23%0.03230%0.295CS..PPolyproline II helixtrans-61.1142.2175.626.6-33000109.9L40 A286 R320 L321 L519L40-P318 HydrophobicContact CD1-CG 3.89Å; A286-P318 HydrophobicContact CB-CG 4.22Å; A286-P318 WeakPolarHBondContact CB-O 3.19Å; P318-R320 VanDerWaalsContact C-N 3.3Å; P318-R320 PolarHBondContact O-N 2.68Å; P318-L321 HydrophobicContact CB-CD2 4.07Å; P318-L321 HydrophobicContact CG-CD1 4.4Å; P318-L321 HydrophobicContact CG-CD2 3.69Å; P318-L321 HydrophobicContact CG-CG 4.01Å; P318-L519 HydrophobicContact CB-CD1 4.36Å; P318-L519 HydrophobicContact CB-CD2 4.05Å
319R84.6Confident90.2Very high133 Ų13358.1 Ų58.150%0.50229%0.294SS..SBendtrans-58.4-42.6-177.9-75177.2-67.3-174.1-0112.5T513 E514R319-T513 PolarHBondContact NH2-O 3.38Å; R319-T513 VanDerWaalsContact NH2-O 3.09Å; R319-E514 WeakPolarHBondContact CB-OE2 3.4Å; R319-E514 WeakPolarHBondContact CG-OE2 3.35Å; R319-E514 IonicContact CZ-OE1 3.18Å; R319-E514 PolarHBondContact N-OE2 3.09Å; R319-E514 IonicContact NE-OE1 3.96Å; R319-E514 PolarHBondContact NE-OE1 2.87Å; R319-E514 IonicContact NE-OE2 3.1Å; R319-E514 PolarHBondContact NE-OE2 3Å; R319-E514 IonicContact NH2-OE1 3.83Å; R319-E514 PolarHBondContact NH2-OE1 2.78Å
320R84.2Confident90.4Very high186 Ų18655.4 Ų55.470%0.70227%0.274SS*.  trans-146.9146.1178.5-64.1-173.9-179-175.2-0.4109.4P318P318-R320 VanDerWaalsContact C-N 3.3Å; P318-R320 PolarHBondContact O-N 2.68Å
321L85.3Confident90.6Very high12 Ų1254.8 Ų54.86%0.06327%0.273CS..  trans-113.2123.8165-64.9179.4000107.5L40 T42 A286 Y291 P318 Y327 L519L40-L321 HydrophobicContact CD1-CD1 4.49Å; L40-L321 HydrophobicContact CD1-CD2 4.11Å; T42-L321 HydrophobicContact CG2-CD1 4.44Å; A286-L321 HydrophobicContact CB-CD1 4.14Å; A286-L321 HydrophobicContact CB-CG 3.94Å; Y291-L321 HydrophobicContact CD1-CD1 3.25Å; Y291-L321 HydrophobicContact CD2-CD1 4.46Å; Y291-L321 HydrophobicContact CE1-CD1 3.86Å; Y291-L321 HydrophobicContact CG-CD1 3.6Å; P318-L321 HydrophobicContact CB-CD2 4.07Å; P318-L321 HydrophobicContact CG-CD1 4.4Å; P318-L321 HydrophobicContact CG-CD2 3.69Å; P318-L321 HydrophobicContact CG-CG 4.01Å; L321-Y327 HydrophobicContact CB-CE2 4.24Å; L321-Y327 HydrophobicContact CD2-CD1 4.09Å; L321-Y327 HydrophobicContact CD2-CD2 3.89Å; L321-Y327 HydrophobicContact CD2-CE1 4.25Å; L321-Y327 HydrophobicContact CD2-CE2 4.07Å; L321-Y327 HydrophobicContact CD2-CG 3.91Å; L321-L519 HydrophobicContact CD2-CD1 4.45Å; L321-L519 HydrophobicContact CD2-CD2 4.06Å
322H80.6Confident90.6Very high83 Ų8350.6 Ų50.638%0.38426%0.257SS..  trans-75.1-166.5171.6-52.1-73.5000110.6H324 Y327 Y510H322-H324 VanDerWaalsContact C-N 3.29Å; H322-H324 PolarHBondContact O-N 2.98Å; H322-Y327 WeakPolarHBondContact CA-OH 3.24Å; H322-Y327 VanDerWaalsContact CB-OH 3.26Å; H322-Y327 WeakPolarHBondContact CB-OH 3.34Å; H322-Y327 PolarHBondContact N-OH 3Å; H322-Y327 PolarHBondContact O-OH 3.04Å; H322-Y510 AromaticContact CD2-CD1 3.96Å; H322-Y510 AromaticContact CD2-CE1 3.49Å; H322-Y510 VanDerWaalsContact CD2-CE1 3.49Å; H322-Y510 WeakPolarHBondContact CD2-CE1 3.11Å; H322-Y510 AromaticContact CD2-CZ 3.54Å; H322-Y510 AromaticContact NE2-CE1 3.58Å; H322-Y510 AromaticContact NE2-CE2 3.79Å; H322-Y510 AromaticContact NE2-CZ 3.18Å; H322-Y510 PolarHBondContact NE2-OH 2.88Å
323S86.5Confident90.7Very high82 Ų8250.7 Ų50.757%0.57326%0.257SS*.SBendtrans-79.612-175.854.30000116.8N44N44-S323 WeakPolarHBondContact ND2-CA 3.33Å; N44-S323 VanDerWaalsContact ND2-CB 3.28Å; N44-S323 WeakPolarHBondContact ND2-CB 3.36Å; N44-S323 PolarHBondContact ND2-O 2.87Å
324H94.3Very high90.8Very high23 Ų2347.6 Ų47.611%0.10625%0.245CC..  trans-70.5152.6-179-57.885.9000113.3T42 H322 Y327 N508 Y510 N523T42-H324 WeakPolarHBondContact CG2-O 3.11Å; T42-H324 PolarHBondContact OG1-O 3.33Å; H322-H324 VanDerWaalsContact C-N 3.29Å; H322-H324 PolarHBondContact O-N 2.98Å; H324-Y327 HydrophobicContact CB-CE1 4.27Å; H324-Y327 HydrophobicContact CB-CE2 3.79Å; H324-Y327 WeakPolarHBondContact CB-OH 3.43Å; H324-Y327 PolarHBondContact N-OH 2.83Å; H324-Y327 AromaticContact ND1-CE1 3.95Å; H324-Y327 AromaticContact ND1-CZ 3.66Å; H324-Y327 PolarHBondContact ND1-OH 3.42Å; H324-N508 PolarHBondContact CD2-O 3Å; H324-N508 PolarHBondContact NE2-O 2.82Å; H324-Y510 VanDerWaalsContact CE1-CB 3.44Å; H324-Y510 WeakPolarHBondContact CE1-CB 3.18Å; H324-Y510 AromaticContact CE1-CG 3.96Å; H324-N523 WeakPolarHBondContact CA-OD1 3.38Å
325H95Very high90.9Very high28 Ų2844.5 Ų44.513%0.1322%0.223CC..SBendtrans-66.9-38.2-179.9-61.8174.3000112.8T42 G45 Y48 V522 N523 L524T42-H325 PolarHBondContact N-O 3.33Å; T42-H325 PolarHBondContact OG1-O 3.2Å; G45-H325 WeakPolarHBondContact CA-O 3.26Å; Y48-H325 AromaticContact CD1-CE1 3.37Å; Y48-H325 WeakPolarHBondContact CD1-CE1 3.44Å; Y48-H325 AromaticContact CD1-ND1 3.33Å; Y48-H325 VanDerWaalsContact CD1-ND1 3.33Å; Y48-H325 WeakPolarHBondContact CD1-ND1 3.35Å; Y48-H325 AromaticContact CD2-CE1 3.73Å; Y48-H325 AromaticContact CE1-CE1 3.95Å; Y48-H325 AromaticContact CE1-ND1 3.93Å; Y48-H325 AromaticContact CG-CE1 3.23Å; Y48-H325 AromaticContact CG-ND1 3.66Å; Y48-H325 AromaticContact CG-NE2 3.88Å; H325-V522 PolarHBondContact N-O 3.02Å; H325-N523 PolarHBondContact N-OD1 3.08Å; H325-L524 HydrophobicContact CB-CG 4.46Å; H325-L524 PolarHBondContact ND1-N 3.42Å; H325-L524 VanDerWaalsContact ND1-N 3.18Å; H325-L524 PolarHBondContact ND1-O 3.2Å
326L94.9Very high91.3Very high27 Ų2743 Ų4314%0.14122%0.215CC..EExtended strand (participates in β ladder)trans-142.5140.4-171.4-174.869.7000110L39 L40 V41 V522 L524L39-L326 HydrophobicContact CD1-CD1 3.51Å; L39-L326 HydrophobicContact CD1-CD2 3.91Å; L39-L326 HydrophobicContact CD1-CG 3.83Å; L39-L326 HydrophobicContact CD2-CD1 4.19Å; L39-L326 HydrophobicContact CG-CD1 3.67Å; L40-L326 WeakPolarHBondContact O-CA 3.32Å; V41-L326 HydrophobicContact CG2-CD1 3.92Å; L326-V522 HydrophobicContact CB-CG2 3.94Å; L326-V522 HydrophobicContact CD2-CG2 4.21Å; L326-V522 HydrophobicContact CG-CG2 4.44Å; L326-V522 PolarHBondContact N-O 2.81Å; L326-V522 VanDerWaalsContact N-O 3.08Å; L326-V522 PolarHBondContact O-N 2.81Å; L326-L524 HydrophobicContact CB-CD1 4.45Å; L326-L524 HydrophobicContact CD2-CD1 4.3Å; L326-L524 HydrophobicContact CD2-CD2 4.38Å
327Y95.4Very high91.8Very high0 Ų040.4 Ų40.40%020%0.199CC..EExtended strand (participates in β ladder)trans-122.2149.4166.8-60.9-102.1000111.6L40 T42 L321 H322 H324 Y510 L519 I520L40-Y327 PolarHBondContact N-O 3.31Å; L40-Y327 PolarHBondContact O-N 2.87Å; T42-Y327 HydrophobicContact CG2-CD2 3.8Å; T42-Y327 HydrophobicContact CG2-CE2 3.63Å; L321-Y327 HydrophobicContact CB-CE2 4.24Å; L321-Y327 HydrophobicContact CD2-CD1 4.09Å; L321-Y327 HydrophobicContact CD2-CD2 3.89Å; L321-Y327 HydrophobicContact CD2-CE1 4.25Å; L321-Y327 HydrophobicContact CD2-CE2 4.07Å; L321-Y327 HydrophobicContact CD2-CG 3.91Å; H322-Y327 WeakPolarHBondContact CA-OH 3.24Å; H322-Y327 VanDerWaalsContact CB-OH 3.26Å; H322-Y327 WeakPolarHBondContact CB-OH 3.34Å; H322-Y327 PolarHBondContact N-OH 3Å; H322-Y327 PolarHBondContact O-OH 3.04Å; H324-Y327 HydrophobicContact CB-CE1 4.27Å; H324-Y327 HydrophobicContact CB-CE2 3.79Å; H324-Y327 WeakPolarHBondContact CB-OH 3.43Å; H324-Y327 PolarHBondContact N-OH 2.83Å; H324-Y327 AromaticContact ND1-CE1 3.95Å; H324-Y327 AromaticContact ND1-CZ 3.66Å; H324-Y327 PolarHBondContact ND1-OH 3.42Å; Y327-Y510 HydrophobicContact CE1-CD1 4.41Å; Y327-L519 HydrophobicContact CD1-CD1 4.05Å; Y327-L519 HydrophobicContact CD1-CD2 3.97Å; Y327-L519 HydrophobicContact CD1-CG 3.88Å; Y327-L519 HydrophobicContact CE1-CD2 4.34Å; Y327-L519 HydrophobicContact CG-CD1 4.31Å; Y327-I520 CarbonylContact C-O 3.6Å; Y327-I520 WeakPolarHBondContact CA-O 3.42Å
328V94.6Very high92.2Very high39 Ų3939 Ų3924%0.23619%0.185CC..EExtended strand (participates in β ladder)trans-120.3115.2169.9-173.80000107.3I37 L39 I330 I520I37-V328 HydrophobicContact CG2-CG1 3.72Å; L39-V328 HydrophobicContact CD1-CG2 3.83Å; V328-I330 HydrophobicContact CG1-CD1 4.36Å; V328-I330 HydrophobicContact CG1-CG1 3.85Å; V328-I520 HydrophobicContact CB-CB 4.47Å; V328-I520 PolarHBondContact N-O 2.79Å; V328-I520 PolarHBondContact O-N 3.17Å
329L95.5Very high92.5Very high6 Ų639.9 Ų39.93%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-97.9112.8173.2-176.852.9000108.8I37 A38 M315 E514 I518 L519I37-L329 CarbonylContact C-O 3.54Å; I37-L329 VanDerWaalsContact CA-O 3.26Å; I37-L329 WeakPolarHBondContact CA-O 3.45Å; A38-L329 HydrophobicContact CB-CB 4.36Å; A38-L329 PolarHBondContact N-O 2.9Å; A38-L329 PolarHBondContact O-N 3.33Å; M315-L329 HydrophobicContact CE-CG 4.06Å; M315-L329 HydrophobicContact CG-CD2 3.49Å; M315-L329 VanDerWaalsContact CG-CD2 3.49Å; M315-L329 HydrophobicContact CG-CG 4Å; M315-L329 HydrophobicContact SD-CB 3.92Å; M315-L329 HydrophobicContact SD-CD2 3.29Å; M315-L329 WeakPolarHBondContact SD-CD2 3.3Å; M315-L329 HydrophobicContact SD-CG 3.39Å; M315-L329 WeakPolarHBondContact SD-CG 3.18Å; L329-E514 HydrophobicContact CD1-CB 4.44Å; L329-I518 WeakPolarHBondContact CA-O 3.21Å; L329-L519 HydrophobicContact CB-CD1 4.01Å; L329-L519 HydrophobicContact CD1-CB 4.13Å; L329-L519 HydrophobicContact CD1-CD1 4.2Å
330I95.4Very high92.9Very high39 Ų3935.4 Ų35.420%0.217%0.173CC..EExtended strand (participates in β ladder)trans-103.6113.3-178.1-56.2178.4000108.5I37 V328 T334 G517 I518 I520I37-I330 HydrophobicContact CG1-CG1 4.37Å; I37-I330 HydrophobicContact CG1-CG2 4.41Å; V328-I330 HydrophobicContact CG1-CD1 4.36Å; V328-I330 HydrophobicContact CG1-CG1 3.85Å; I330-T334 HydrophobicContact CG2-CG2 3.72Å; I330-G517 CarbonylContact O-C 3.45Å; I330-G517 WeakPolarHBondContact O-CA 3.27Å; I330-I518 PolarHBondContact N-O 3.18Å; I330-I518 PolarHBondContact O-N 3.3Å; I330-I520 HydrophobicContact CD1-CD1 3.85Å
331S95.5Very high93.3Very high7 Ų726.6 Ų26.65%0.04914%0.14CC..EExtended strand (participates in β ladder)trans-71.9163.1179.566.50000113.1G36 F333 T334 G516G36-S331 VanDerWaalsContact CA-OG 3.29Å; G36-S331 WeakPolarHBondContact CA-OG 3.44Å; G36-S331 VanDerWaalsContact O-CB 3.28Å; G36-S331 WeakPolarHBondContact O-CB 3.5Å; G36-S331 PolarHBondContact O-N 2.96Å; G36-S331 PolarHBondContact O-OG 3.3Å; S331-F333 PolarHBondContact O-N 3.14Å; S331-F333 VanDerWaalsContact O-N 3.15Å; S331-F333 WeakPolarHBondContact OG-CB 3.5Å; S331-F333 PolarHBondContact OG-N 3.13Å; S331-T334 PolarHBondContact O-N 2.93Å; S331-T334 VanDerWaalsContact O-N 3.11Å; S331-G516 CarbonylContact C-O 3.52Å; S331-G516 WeakPolarHBondContact CA-O 3.39Å
332E94.3Very high93.6Very high37 Ų3727 Ų2717%0.17314%0.142CC..Hα-helixtrans-53.2-30.9167.566.1177.9-152.200112.6K313 T334 I335 N336 I405 G516K313-E332 IonicContact NZ-OE1 2.86Å; E332-T334 VanDerWaalsContact C-N 3.32Å; E332-T334 PolarHBondContact O-N 2.96Å; E332-I335 PolarHBondContact O-N 3.31Å; E332-N336 VanDerWaalsContact O-CB 3.3Å; E332-N336 WeakPolarHBondContact O-CB 3.47Å; E332-N336 PolarHBondContact O-N 3.14Å; E332-N336 PolarHBondContact O-ND2 3.18Å; E332-N336 VanDerWaalsContact O-ND2 3.16Å; E332-I405 HydrophobicContact CB-CD1 4.17Å; E332-I405 HydrophobicContact CB-CG1 4.42Å; E332-G516 PolarHBondContact N-O 2.96Å
333F95.3Very high94.1Very high8 Ų823.2 Ų23.24%0.03512%0.124CC..Hα-helixtrans-62.2-38178.7165.6-94.7000112.3Q299 V308 F310 P312 S331 I335 N336 S337Q299-F333 HydrophobicContact CB-CE1 3.76Å; Q299-F333 HydrophobicContact CB-CZ 3.84Å; Q299-F333 HydrophobicContact CG-CE1 4.29Å; Q299-F333 HydrophobicContact CG-CZ 3.91Å; V308-F333 HydrophobicContact CG2-CE2 3.81Å; V308-F333 HydrophobicContact CG2-CZ 4.02Å; F310-F333 AromaticContact CD2-CD2 3.61Å; F310-F333 HydrophobicContact CD2-CD2 3.61Å; F310-F333 AromaticContact CD2-CE2 3.65Å; F310-F333 HydrophobicContact CD2-CE2 3.65Å; F310-F333 AromaticContact CE2-CD2 3.5Å; F310-F333 HydrophobicContact CE2-CD2 3.5Å; F310-F333 VanDerWaalsContact CE2-CD2 3.5Å; F310-F333 AromaticContact CE2-CE2 3.61Å; F310-F333 HydrophobicContact CE2-CE2 3.61Å; F310-F333 WeakPolarHBondContact O-CE2 3.49Å; P312-F333 HydrophobicContact CB-CB 3.72Å; P312-F333 HydrophobicContact CB-CD1 3.79Å; P312-F333 HydrophobicContact CB-CD2 4.11Å; P312-F333 HydrophobicContact CB-CE1 4.44Å; P312-F333 HydrophobicContact CB-CG 3.59Å; P312-F333 HydrophobicContact CG-CD1 4Å; P312-F333 HydrophobicContact CG-CD2 4.43Å; P312-F333 HydrophobicContact CG-CE1 4.16Å; P312-F333 HydrophobicContact CG-CG 4.14Å; P312-F333 HydrophobicContact CG-CZ 4.47Å; S331-F333 PolarHBondContact O-N 3.14Å; S331-F333 VanDerWaalsContact O-N 3.15Å; S331-F333 WeakPolarHBondContact OG-CB 3.5Å; S331-F333 PolarHBondContact OG-N 3.13Å; F333-I335 VanDerWaalsContact C-N 3.34Å; F333-I335 PolarHBondContact O-N 3.4Å; F333-N336 PolarHBondContact O-N 3.33Å; F333-S337 VanDerWaalsContact O-CB 3.24Å; F333-S337 WeakPolarHBondContact O-CB 3.42Å; F333-S337 PolarHBondContact O-N 2.82Å; F333-S337 PolarHBondContact O-OG 2.71Å
334T95.7Very high94.3Very high12 Ų1220.9 Ų20.97%0.07411%0.106CC..Hα-helixtrans-62.6-43.1176.8-63.80000111.2G36 I37 L273 G298 V300 I330 S331 E332 S337 M338G36-T334 PolarHBondContact O-OG1 3.24Å; G36-T334 VanDerWaalsContact O-OG1 3.12Å; I37-T334 HydrophobicContact CD1-CG2 4.29Å; I37-T334 HydrophobicContact CG1-CG2 4.49Å; L273-T334 HydrophobicContact CD1-CG2 4.04Å; G298-T334 WeakPolarHBondContact O-CA 3.49Å; G298-T334 VanDerWaalsContact O-CB 3.26Å; G298-T334 WeakPolarHBondContact O-CB 3.26Å; G298-T334 VanDerWaalsContact O-CG2 3.29Å; G298-T334 WeakPolarHBondContact O-CG2 3.5Å; G298-T334 PolarHBondContact O-OG1 3.22Å; V300-T334 HydrophobicContact CG2-CG2 4.22Å; I330-T334 HydrophobicContact CG2-CG2 3.72Å; S331-T334 PolarHBondContact O-N 2.93Å; S331-T334 VanDerWaalsContact O-N 3.11Å; E332-T334 VanDerWaalsContact C-N 3.32Å; E332-T334 PolarHBondContact O-N 2.96Å; T334-S337 PolarHBondContact O-OG 2.85Å; T334-M338 PolarHBondContact O-N 2.77Å
335I94.6Very high94Very high26 Ų2621.4 Ų21.413%0.13311%0.11CC..Hα-helixtrans-71.4-44.5178.9-54.8177.7000110.6E332 F333 S337 M338 L339 V403 I405 I518E332-I335 PolarHBondContact O-N 3.31Å; F333-I335 VanDerWaalsContact C-N 3.34Å; F333-I335 PolarHBondContact O-N 3.4Å; I335-S337 PolarHBondContact O-N 2.9Å; I335-M338 HydrophobicContact CG2-CE 4.39Å; I335-M338 WeakPolarHBondContact O-CB 3.4Å; I335-M338 PolarHBondContact O-N 2.88Å; I335-L339 HydrophobicContact CG2-CD1 4.12Å; I335-L339 HydrophobicContact CG2-CG 4.48Å; I335-L339 WeakPolarHBondContact O-CG 3.41Å; I335-L339 PolarHBondContact O-N 2.66Å; I335-V403 HydrophobicContact CD1-CG1 4.3Å; I335-V403 HydrophobicContact CG2-CB 4Å; I335-V403 HydrophobicContact CG2-CG1 4.16Å; I335-V403 HydrophobicContact CG2-CG2 3.85Å; I335-I405 HydrophobicContact CD1-CD1 4.07Å; I335-I518 HydrophobicContact CD1-CD1 3.85Å
336N95.3Very high93.8Very high7 Ų721.2 Ų21.24%0.03711%0.11CC..Hα-helixtrans-66.7-35.4179.8-74.9-36.8000112.5L26 F310 E332 F333 M338 L339 Y340 V403L26-N336 HydrophobicContact CD2-CB 4.4Å; F310-N336 HydrophobicContact CE2-CB 4.38Å; F310-N336 HydrophobicContact CZ-CB 4.47Å; E332-N336 VanDerWaalsContact O-CB 3.3Å; E332-N336 WeakPolarHBondContact O-CB 3.47Å; E332-N336 PolarHBondContact O-N 3.14Å; E332-N336 PolarHBondContact O-ND2 3.18Å; E332-N336 VanDerWaalsContact O-ND2 3.16Å; F333-N336 PolarHBondContact O-N 3.33Å; N336-M338 VanDerWaalsContact C-N 3.34Å; N336-L339 PolarHBondContact O-N 3.3Å; N336-Y340 VanDerWaalsContact O-CB 3.25Å; N336-Y340 WeakPolarHBondContact O-CB 3.38Å; N336-Y340 PolarHBondContact O-N 2.91Å; N336-V403 PolarHBondContact ND2-O 3.22Å; N336-V403 PolarHBondContact OD1-N 3.01Å; N336-V403 PolarHBondContact OD1-O 3.28Å
337S95.6Very high93.5Very high0 Ų020.7 Ų20.70%011%0.107CC..Hα-helixtrans-65.7-37.9172.461.90000111.8V300 F333 T334 I335 Q341V300-S337 PolarHBondContact N-OG 3.16Å; F333-S337 VanDerWaalsContact O-CB 3.24Å; F333-S337 WeakPolarHBondContact O-CB 3.42Å; F333-S337 PolarHBondContact O-N 2.82Å; F333-S337 PolarHBondContact O-OG 2.71Å; T334-S337 PolarHBondContact O-OG 2.85Å; I335-S337 PolarHBondContact O-N 2.9Å; S337-Q341 VanDerWaalsContact O-CG 3.23Å; S337-Q341 WeakPolarHBondContact O-CG 3.34Å; S337-Q341 PolarHBondContact O-N 3.35Å
338M95Very high93.2Very high58 Ų5822.8 Ų22.829%0.28612%0.118SC..Hα-helixtrans-61.7-51.4171.7-179.1179.865.800111.4L229 L271 V300 T334 I335 N336 Y340 Q341 L342L229-M338 HydrophobicContact CD1-CG 4.48Å; L229-M338 HydrophobicContact CD1-SD 4.04Å; L271-M338 HydrophobicContact CD1-CG 3.97Å; V300-M338 HydrophobicContact CB-CB 3.84Å; V300-M338 HydrophobicContact CG1-CB 3.82Å; V300-M338 HydrophobicContact CG1-CG 4.05Å; V300-M338 HydrophobicContact CG2-CB 4.02Å; T334-M338 PolarHBondContact O-N 2.77Å; I335-M338 HydrophobicContact CG2-CE 4.39Å; I335-M338 WeakPolarHBondContact O-CB 3.4Å; I335-M338 PolarHBondContact O-N 2.88Å; N336-M338 VanDerWaalsContact C-N 3.34Å; M338-Y340 VanDerWaalsContact C-N 3.32Å; M338-Y340 PolarHBondContact O-N 3.02Å; M338-Q341 PolarHBondContact O-N 3.35Å; M338-Q341 VanDerWaalsContact O-N 3.14Å; M338-L342 HydrophobicContact CG-CD1 4.16Å; M338-L342 HydrophobicContact CG-CG 4.49Å; M338-L342 WeakPolarHBondContact O-CG 2.93Å; M338-L342 PolarHBondContact O-N 2.96Å
339L94Very high93.1Very high25 Ų2521 Ų2113%0.13111%0.107CC..Hα-helixtrans-61.9-39.7-179.7-69.5172.7000112.2I335 N336 Q341 L342 Y343 P401 V403I335-L339 HydrophobicContact CG2-CD1 4.12Å; I335-L339 HydrophobicContact CG2-CG 4.48Å; I335-L339 WeakPolarHBondContact O-CG 3.41Å; I335-L339 PolarHBondContact O-N 2.66Å; N336-L339 PolarHBondContact O-N 3.3Å; L339-Q341 PolarHBondContact O-N 3.22Å; L339-L342 PolarHBondContact O-N 3.49Å; L339-Y343 WeakPolarHBondContact O-CB 3.46Å; L339-Y343 PolarHBondContact O-N 3.45Å; L339-P401 HydrophobicContact CD1-CB 4.23Å; L339-P401 HydrophobicContact CD2-CB 4.45Å; L339-V403 HydrophobicContact CD1-CB 4.32Å; L339-V403 HydrophobicContact CD1-CG2 3.48Å; L339-V403 VanDerWaalsContact CD1-CG2 3.48Å
340Y93.7Very high92.8Very high39 Ų3922.1 Ų22.115%0.15311%0.113CC..Hα-helixtrans-57.9-48.1172.5175.6-90.1000111.3C24 V308 P309 F310 N336 M338 L342 Y343 V344C24-Y340 HydrophobicContact CB-CD2 4.2Å; C24-Y340 HydrophobicContact CB-CE2 4.27Å; C24-Y340 VanDerWaalsContact SG-CD2 3.55Å; C24-Y340 VanDerWaalsContact SG-CE2 3.53Å; V308-Y340 HydrophobicContact CB-CD1 4.12Å; V308-Y340 HydrophobicContact CB-CE1 4.35Å; V308-Y340 HydrophobicContact CG1-CD1 3.59Å; V308-Y340 HydrophobicContact CG1-CE1 4.12Å; V308-Y340 HydrophobicContact CG1-CG 4.31Å; P309-Y340 WeakPolarHBondContact CD-OH 3.36Å; P309-Y340 HydrophobicContact CG-CE2 4Å; F310-Y340 HydrophobicContact CE1-CD2 4.03Å; F310-Y340 AromaticContact CE1-CG 3.97Å; F310-Y340 HydrophobicContact CE1-CG 3.97Å; N336-Y340 VanDerWaalsContact O-CB 3.25Å; N336-Y340 WeakPolarHBondContact O-CB 3.38Å; N336-Y340 PolarHBondContact O-N 2.91Å; M338-Y340 VanDerWaalsContact C-N 3.32Å; M338-Y340 PolarHBondContact O-N 3.02Å; Y340-L342 VanDerWaalsContact C-N 3.35Å; Y340-L342 PolarHBondContact O-N 3.19Å; Y340-Y343 PolarHBondContact O-N 3.19Å; Y340-V344 HydrophobicContact CD1-CG1 4.28Å; Y340-V344 HydrophobicContact CD1-CG2 4.32Å; Y340-V344 HydrophobicContact CD2-CG1 4.11Å; Y340-V344 HydrophobicContact CE1-CG1 3.88Å; Y340-V344 HydrophobicContact CE1-CG2 4.03Å; Y340-V344 HydrophobicContact CE2-CG1 3.68Å; Y340-V344 HydrophobicContact CG-CG1 4.39Å; Y340-V344 WeakPolarHBondContact O-CG1 3.42Å; Y340-V344 WeakPolarHBondContact O-CG2 3.49Å; Y340-V344 PolarHBondContact O-N 2.85Å
341Q92.5Very high92.6Very high1 Ų120.9 Ų20.91%0.00511%0.107CC..Hα-helixtrans-63.6-41178.3-67.4-69.5-15.400111.7L271 V300 P306 V308 S337 M338 L339 Y343 N345L271-Q341 HydrophobicContact CD2-CB 4.02Å; V300-Q341 WeakPolarHBondContact O-CG 3.41Å; P306-Q341 PolarHBondContact O-NE2 3.3Å; V308-Q341 HydrophobicContact CG1-CG 4.46Å; S337-Q341 VanDerWaalsContact O-CG 3.23Å; S337-Q341 WeakPolarHBondContact O-CG 3.34Å; S337-Q341 PolarHBondContact O-N 3.35Å; M338-Q341 PolarHBondContact O-N 3.35Å; M338-Q341 VanDerWaalsContact O-N 3.14Å; L339-Q341 PolarHBondContact O-N 3.22Å; Q341-Y343 VanDerWaalsContact C-N 3.32Å; Q341-Y343 PolarHBondContact O-N 3.46Å; Q341-N345 VanDerWaalsContact O-CB 3.29Å; Q341-N345 WeakPolarHBondContact O-CB 3.34Å; Q341-N345 PolarHBondContact O-N 3.28Å; Q341-N345 PolarHBondContact O-ND2 3.5Å; Q341-N345 PolarHBondContact OE1-ND2 3.22Å
342L92.1Very high92.3Very high19 Ų1921.5 Ų21.510%0.09911%0.109CC..Hα-helixtrans-63.6-40.3176-65.1173.8000111.4M267 L271 M338 L339 Y340 D346 L347 L348M267-L342 HydrophobicContact CB-CD2 4.35Å; L271-L342 HydrophobicContact CD1-CD2 3.87Å; L271-L342 HydrophobicContact CD1-CG 4.29Å; M338-L342 HydrophobicContact CG-CD1 4.16Å; M338-L342 HydrophobicContact CG-CG 4.49Å; M338-L342 WeakPolarHBondContact O-CG 2.93Å; M338-L342 PolarHBondContact O-N 2.96Å; L339-L342 PolarHBondContact O-N 3.49Å; Y340-L342 VanDerWaalsContact C-N 3.35Å; Y340-L342 PolarHBondContact O-N 3.19Å; L342-D346 PolarHBondContact O-N 2.91Å; L342-L347 HydrophobicContact CB-CB 4.28Å; L342-L347 HydrophobicContact CD2-CB 3.78Å; L342-L347 HydrophobicContact CD2-CD1 3.67Å; L342-L347 HydrophobicContact CD2-CG 4.37Å; L342-L347 WeakPolarHBondContact O-CB 3.19Å; L342-L347 PolarHBondContact O-N 2.81Å; L342-L348 HydrophobicContact CB-CD1 4.07Å; L342-L348 HydrophobicContact CB-CD2 3.77Å; L342-L348 HydrophobicContact CB-CG 3.67Å; L342-L348 HydrophobicContact CD1-CD2 4.01Å; L342-L348 HydrophobicContact CG-CD2 4.47Å
343Y91.7Very high92Very high5 Ų521.1 Ų21.12%0.0211%0.108CC..Hα-helixtrans-65.4-57.1177.7169.4-126.5000112.6R21 K22 L339 Y340 Q341 N345 D346 P397 Y398 C400R21-Y343 WeakPolarHBondContact CB-OH 3.5Å; R21-Y343 HydrophobicContact CG-CE2 4.45Å; R21-Y343 WeakPolarHBondContact CG-OH 3.12Å; K22-Y343 PolarHBondContact O-OH 3.02Å; L339-Y343 WeakPolarHBondContact O-CB 3.46Å; L339-Y343 PolarHBondContact O-N 3.45Å; Y340-Y343 PolarHBondContact O-N 3.19Å; Q341-Y343 VanDerWaalsContact C-N 3.32Å; Q341-Y343 PolarHBondContact O-N 3.46Å; Y343-N345 PolarHBondContact O-N 3.42Å; Y343-N345 VanDerWaalsContact O-N 3.14Å; Y343-D346 PolarHBondContact O-N 3.04Å; Y343-D346 VanDerWaalsContact O-N 3.09Å; Y343-P397 HydrophobicContact CD2-CB 3.88Å; Y343-P397 HydrophobicContact CD2-CG 3.54Å; Y343-P397 HydrophobicContact CE2-CB 4.06Å; Y343-P397 HydrophobicContact CE2-CG 4.05Å; Y343-Y398 PolarHBondContact OH-O 3.34Å; Y343-C400 HydrophobicContact CD1-CB 3.76Å; Y343-C400 HydrophobicContact CE1-CB 4.17Å; Y343-C400 HydrophobicContact CG-CB 4.38Å
344V89Confident91.7Very high32 Ų3220.8 Ų20.819%0.19411%0.106CC..Hα-helixtrans-66.3-23-172.6-59.80000112.9R21 Y340R21-V344 PolarHBondContact NH1-O 2.91Å; Y340-V344 HydrophobicContact CD1-CG1 4.28Å; Y340-V344 HydrophobicContact CD1-CG2 4.32Å; Y340-V344 HydrophobicContact CD2-CG1 4.11Å; Y340-V344 HydrophobicContact CE1-CG1 3.88Å; Y340-V344 HydrophobicContact CE1-CG2 4.03Å; Y340-V344 HydrophobicContact CE2-CG1 3.68Å; Y340-V344 HydrophobicContact CG-CG1 4.39Å; Y340-V344 WeakPolarHBondContact O-CG1 3.42Å; Y340-V344 WeakPolarHBondContact O-CG2 3.49Å; Y340-V344 PolarHBondContact O-N 2.85Å
345N89.4Confident91.3Very high35 Ų3522.5 Ų22.519%0.18712%0.118CC..THydrogen-bonded Turntrans-97.713.9178.1-65.4-75.8000114.3Y243 I302 Q341 Y343 L347Y243-N345 WeakPolarHBondContact CE2-OD1 3.38Å; I302-N345 HydrophobicContact CD1-CB 4.08Å; I302-N345 WeakPolarHBondContact CD1-OD1 3.34Å; Q341-N345 VanDerWaalsContact O-CB 3.29Å; Q341-N345 WeakPolarHBondContact O-CB 3.34Å; Q341-N345 PolarHBondContact O-N 3.28Å; Q341-N345 PolarHBondContact O-ND2 3.5Å; Q341-N345 PolarHBondContact OE1-ND2 3.22Å; Y343-N345 PolarHBondContact O-N 3.42Å; Y343-N345 VanDerWaalsContact O-N 3.14Å; N345-L347 HydrophobicContact CB-CD1 4.28Å; N345-L347 HydrophobicContact CB-CG 4.12Å; N345-L347 PolarHBondContact O-N 3.25Å; N345-L347 VanDerWaalsContact O-N 3.12Å
346D89.2Confident90.8Very high24 Ų2429.9 Ų29.913%0.12815%0.145CC..THydrogen-bonded Turntrans5920.5178.3-65.3-58.3000114.7R21 R251 L342 Y343 L348 N349R21-D346 IonicContact CZ-OD1 3.07Å; R21-D346 IonicContact NH2-OD1 3Å; R21-D346 PolarHBondContact NH2-OD1 3.2Å; R21-D346 IonicContact NH2-OD2 3.91Å; R21-D346 PolarHBondContact NH2-OD2 3.13Å; R21-D346 VanDerWaalsContact NH2-OD2 3.1Å; R251-D346 HydrophobicContact CB-CB 4.31Å; L342-D346 PolarHBondContact O-N 2.91Å; Y343-D346 PolarHBondContact O-N 3.04Å; Y343-D346 VanDerWaalsContact O-N 3.09Å; D346-L348 VanDerWaalsContact C-N 3.27Å; D346-L348 PolarHBondContact O-N 2.8Å; D346-N349 WeakPolarHBondContact CB-ND2 3.26Å; D346-N349 WeakPolarHBondContact O-CB 3.29Å; D346-N349 PolarHBondContact O-N 2.95Å; D346-N349 PolarHBondContact OD1-ND2 3.21Å
347L89.7Confident90.2Very high16 Ų1630.6 Ų30.68%0.08415%0.15CC..THydrogen-bonded Turntrans-76.5-18.3-178.5-61.7176.5000112.4M267 K270 L342 N345M267-L347 VanDerWaalsContact CE-O 3.29Å; M267-L347 WeakPolarHBondContact CE-O 3.05Å; M267-L347 HydrophobicContact SD-CB 4.3Å; M267-L347 VanDerWaalsContact SD-O 3.41Å; K270-L347 HydrophobicContact CD-CD2 4.49Å; L342-L347 HydrophobicContact CB-CB 4.28Å; L342-L347 HydrophobicContact CD2-CB 3.78Å; L342-L347 HydrophobicContact CD2-CD1 3.67Å; L342-L347 HydrophobicContact CD2-CG 4.37Å; L342-L347 WeakPolarHBondContact O-CB 3.19Å; L342-L347 PolarHBondContact O-N 2.81Å; N345-L347 HydrophobicContact CB-CD1 4.28Å; N345-L347 HydrophobicContact CB-CG 4.12Å; N345-L347 PolarHBondContact O-N 3.25Å; N345-L347 VanDerWaalsContact O-N 3.12Å
348L90Very high89.4Confident43 Ų4333 Ų3323%0.22518%0.175CC..THydrogen-bonded Turntrans-88.7-3.2173.9-59.4178.7000113.7L342 D346 I350 P397 P401L342-L348 HydrophobicContact CB-CD1 4.07Å; L342-L348 HydrophobicContact CB-CD2 3.77Å; L342-L348 HydrophobicContact CB-CG 3.67Å; L342-L348 HydrophobicContact CD1-CD2 4.01Å; L342-L348 HydrophobicContact CG-CD2 4.47Å; D346-L348 VanDerWaalsContact C-N 3.27Å; D346-L348 PolarHBondContact O-N 2.8Å; L348-I350 PolarHBondContact O-N 2.87Å; L348-P397 HydrophobicContact CB-CG 3.86Å; L348-P397 HydrophobicContact CD1-CG 4.08Å; L348-P401 HydrophobicContact CD1-CG 3.73Å
349N91.7Very high88.9Confident2 Ų235.1 Ų35.11%0.01120%0.196CC..  trans-82.4112.4-178.6-64.64000109.8R251 F252 T253 D346 F396R251-N349 WeakPolarHBondContact O-CB 3.48Å; R251-N349 PolarHBondContact O-ND2 3.01Å; F252-N349 WeakPolarHBondContact CA-O 3.16Å; F252-N349 HydrophobicContact CD1-CB 3.7Å; F252-N349 HydrophobicContact CE1-CB 3.84Å; F252-N349 HydrophobicContact CG-CB 4.19Å; F252-N349 HydrophobicContact CZ-CB 4.47Å; T253-N349 PolarHBondContact N-O 3.09Å; D346-N349 WeakPolarHBondContact CB-ND2 3.26Å; D346-N349 WeakPolarHBondContact O-CB 3.29Å; D346-N349 PolarHBondContact O-N 2.95Å; D346-N349 PolarHBondContact OD1-ND2 3.21Å; N349-F396 HydrophobicContact CB-CB 4.14Å; N349-F396 WeakPolarHBondContact OD1-CB 3.04Å
350I90Very high88.3Confident29 Ų2938.5 Ų38.515%0.14921%0.211CC..EExtended strand (participates in β ladder)trans-118.9149.9-171.457.1167.5000112.2T253 L255 L348 I352 R394 I395T253-I350 CarbonylContact O-C 3.58Å; T253-I350 VanDerWaalsContact O-CA 3.29Å; T253-I350 WeakPolarHBondContact O-CA 3.23Å; L255-I350 HydrophobicContact CD1-CB 3.86Å; L255-I350 HydrophobicContact CD1-CD1 3.48Å; L255-I350 VanDerWaalsContact CD1-CD1 3.48Å; L255-I350 HydrophobicContact CD1-CG1 4.24Å; L255-I350 HydrophobicContact CD1-CG2 3.88Å; L255-I350 HydrophobicContact CD2-CB 4.41Å; L255-I350 HydrophobicContact CD2-CG2 3.77Å; L255-I350 HydrophobicContact CG-CB 3.78Å; L255-I350 HydrophobicContact CG-CD1 4.38Å; L255-I350 HydrophobicContact CG-CG2 3.7Å; L348-I350 PolarHBondContact O-N 2.87Å; I350-I352 HydrophobicContact CD1-CD1 4.36Å; I350-R394 WeakPolarHBondContact O-CA 3.44Å; I350-I395 HydrophobicContact CD1-CB 4.02Å; I350-I395 HydrophobicContact CD1-CD1 4.42Å; I350-I395 HydrophobicContact CG1-CB 3.77Å; I350-I395 VanDerWaalsContact CG1-O 3.31Å; I350-I395 WeakPolarHBondContact CG1-O 3.36Å; I350-I395 PolarHBondContact N-O 2.86Å; I350-I395 PolarHBondContact O-N 3.45Å
351I90.4Very high87.8Confident13 Ų1337.4 Ų37.47%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-114.8128.1167.5-64.6155.3000108.1F252 T253 T254 L255 E353 Q392 M393 R394F252-I351 HydrophobicContact CB-CD1 3.47Å; F252-I351 VanDerWaalsContact CB-CD1 3.47Å; F252-I351 HydrophobicContact CB-CG1 3.78Å; F252-I351 HydrophobicContact CD1-CG1 4.19Å; F252-I351 HydrophobicContact CG-CD1 4.29Å; F252-I351 HydrophobicContact CG-CG1 4.25Å; T253-I351 PolarHBondContact O-N 3.08Å; T254-I351 WeakPolarHBondContact CA-O 3.42Å; L255-I351 PolarHBondContact N-O 3.36Å; I351-E353 HydrophobicContact CG2-CG 4.28Å; I351-Q392 HydrophobicContact CG2-CB 4.31Å; I351-M393 WeakPolarHBondContact CA-O 3.36Å; I351-R394 HydrophobicContact CG1-CG 4.07Å
352I88.4Confident87.6Confident21 Ų2141.4 Ų41.411%0.10823%0.225CC..EExtended strand (participates in β ladder)trans-106.4122.9170-64.3171.4000107.5L255 I350 S357 V361 L365 Q392 M393 I395L255-I352 HydrophobicContact CD1-CG1 4.4Å; I350-I352 HydrophobicContact CD1-CD1 4.36Å; I352-S357 VanDerWaalsContact CG2-OG 3.26Å; I352-S357 WeakPolarHBondContact CG2-OG 3.34Å; I352-V361 HydrophobicContact CG2-CG1 3.85Å; I352-L365 HydrophobicContact CG2-CD1 4Å; I352-Q392 WeakPolarHBondContact O-CA 3.36Å; I352-M393 HydrophobicContact CB-CB 4.45Å; I352-M393 HydrophobicContact CB-CE 4.43Å; I352-M393 HydrophobicContact CD1-CE 3.91Å; I352-M393 PolarHBondContact N-O 3.03Å; I352-M393 PolarHBondContact O-N 3.2Å; I352-I395 HydrophobicContact CD1-CD1 3.81Å
353E89.3Confident87.5Confident29 Ų2944.1 Ų44.114%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-95.5117.4177.1-63.3-174.3154.200109.3T254 I351 S355 R356 S357 Q392T254-E353 HydrophobicContact CG2-CG 3.95Å; I351-E353 HydrophobicContact CG2-CG 4.28Å; E353-S355 PolarHBondContact O-N 3.07Å; E353-R356 HydrophobicContact CB-CB 4.36Å; E353-R356 CarbonylContact O-C 3.58Å; E353-R356 PolarHBondContact O-N 3.16Å; E353-R356 WeakPolarHBondContact OE2-CD 3.25Å; E353-R356 IonicContact OE2-CZ 2.91Å; E353-R356 IonicContact OE2-NE 3.64Å; E353-R356 IonicContact OE2-NH1 3.38Å; E353-R356 PolarHBondContact OE2-NH1 3Å; E353-S357 PolarHBondContact O-N 2.79Å; E353-S357 PolarHBondContact O-OG 2.86Å; E353-Q392 HydrophobicContact CG-CG 4.38Å; E353-Q392 PolarHBondContact OE1-NE2 2.86Å
354G88.3Confident87.3Confident0 Ų044 Ų440%024%0.237CC..G310 helixtrans-54.2-41.6-179.300000112.9R356 S357 K362 L391G354-R356 PolarHBondContact O-N 3.07Å; G354-R356 VanDerWaalsContact O-N 3.09Å; G354-S357 PolarHBondContact O-N 2.95Å; G354-K362 WeakPolarHBondContact O-CA 3.43Å; G354-K362 WeakPolarHBondContact O-CB 3.42Å; G354-K362 WeakPolarHBondContact O-CG 3.47Å; G354-L391 PolarHBondContact N-O 2.97Å
355S87.5Confident87.4Confident48 Ų4842.5 Ų42.534%0.33623%0.228SC..G310 helixtrans-63.7-15.6178.656.30000114.9E353 Q424E353-S355 PolarHBondContact O-N 3.07Å; S355-Q424 PolarHBondContact OG-NE2 2.76Å; S355-Q424 VanDerWaalsContact OG-NE2 3.16Å
356R84.3Confident87.6Confident181 Ų18142 Ų4268%0.68322%0.224SC*.G310 helixtrans-122.916.5-178.5-63-172.7174.5152.5-13.2113.4V257 E353 G354V257-R356 WeakPolarHBondContact CG2-O 3.45Å; E353-R356 HydrophobicContact CB-CB 4.36Å; E353-R356 CarbonylContact O-C 3.58Å; E353-R356 PolarHBondContact O-N 3.16Å; E353-R356 WeakPolarHBondContact OE2-CD 3.25Å; E353-R356 IonicContact OE2-CZ 2.91Å; E353-R356 IonicContact OE2-NE 3.64Å; E353-R356 IonicContact OE2-NH1 3.38Å; E353-R356 PolarHBondContact OE2-NH1 3Å; G354-R356 PolarHBondContact O-N 3.07Å; G354-R356 VanDerWaalsContact O-N 3.09Å
357S81.9Confident87.6Confident23 Ų2341.2 Ų41.216%0.16122%0.221CC..SBendtrans-98.4167.6179.9-60.70000111.4I352 E353 G354I352-S357 VanDerWaalsContact CG2-OG 3.26Å; I352-S357 WeakPolarHBondContact CG2-OG 3.34Å; E353-S357 PolarHBondContact O-N 2.79Å; E353-S357 PolarHBondContact O-OG 2.86Å; G354-S357 PolarHBondContact O-N 2.95Å
358G79.6Confident87.6Confident49 Ų4942.5 Ų42.551%0.50523%0.231SC..  trans-61167.9170.400000112.4E360 V361 K362G358-E360 PolarHBondContact O-N 2.95Å; G358-V361 PolarHBondContact O-N 3.37Å; G358-K362 WeakPolarHBondContact O-CB 3.38Å; G358-K362 PolarHBondContact O-N 2.96Å
359S83.5Confident87.4Confident104 Ų10441.3 Ų41.373%0.72723%0.226SC*.Hα-helixtrans-49.6-52.2-171.347.60000113.9K362 E363S359-K362 PolarHBondContact O-N 2.94Å; S359-E363 WeakPolarHBondContact O-CB 3.2Å; S359-E363 PolarHBondContact O-N 3.49Å
360E81.2Confident86.9Confident96 Ų9647.9 Ų47.945%0.44926%0.261SS..Hα-helixtrans-60.4-53.1-178-175-179.9-161.100112.3G358 K362 E363 F364 S482G358-E360 PolarHBondContact O-N 2.95Å; E360-K362 VanDerWaalsContact C-N 3.31Å; E360-K362 PolarHBondContact O-N 2.75Å; E360-E363 PolarHBondContact O-N 3.48Å; E360-F364 PolarHBondContact O-N 3.03Å; E360-S482 PolarHBondContact OE2-OG 3.42Å
361V84.3Confident86.2Confident16 Ų1649.1 Ų49.110%0.09728%0.281CS..Hα-helixtrans-67-34.1179.7178.10000111.5I352 G358 L365 A483I352-V361 HydrophobicContact CG2-CG1 3.85Å; G358-V361 PolarHBondContact O-N 3.37Å; V361-L365 HydrophobicContact CG1-CD1 3.67Å; V361-L365 HydrophobicContact CG1-CG 4.15Å; V361-L365 WeakPolarHBondContact O-CB 3.37Å; V361-L365 WeakPolarHBondContact O-CG 3.44Å; V361-L365 PolarHBondContact O-N 2.85Å; V361-A483 HydrophobicContact CG2-CB 3.74Å
362K88.1Confident85.5Confident84 Ų8450.4 Ų50.437%0.36530%0.297SS..Hα-helixtrans-67.9-40.1177176.3-179.7176.3-1730111.9G354 G358 S359 E360 Q366 Y390G354-K362 WeakPolarHBondContact O-CA 3.43Å; G354-K362 WeakPolarHBondContact O-CB 3.42Å; G354-K362 WeakPolarHBondContact O-CG 3.47Å; G358-K362 WeakPolarHBondContact O-CB 3.38Å; G358-K362 PolarHBondContact O-N 2.96Å; S359-K362 PolarHBondContact O-N 2.94Å; E360-K362 VanDerWaalsContact C-N 3.31Å; E360-K362 PolarHBondContact O-N 2.75Å; K362-Q366 WeakPolarHBondContact O-CG 3.21Å; K362-Q366 PolarHBondContact O-NE2 3.11Å; K362-Y390 HydrophobicContact CD-CE1 4.5Å; K362-Y390 VanDerWaalsContact CE-OH 3.23Å; K362-Y390 WeakPolarHBondContact CE-OH 3.35Å; K362-Y390 HydrophobicContact CG-CD1 4.47Å; K362-Y390 HydrophobicContact CG-CE1 3.71Å
363E89Confident85.1Confident76 Ų7657.7 Ų57.736%0.35532%0.323SS..Hα-helixtrans-66.4-44.4174.8-173.2178.5175.700110.6S359 E360 C374S359-E363 WeakPolarHBondContact O-CB 3.2Å; S359-E363 PolarHBondContact O-N 3.49Å; E360-E363 PolarHBondContact O-N 3.48Å; E363-C374 VanDerWaalsContact O-CB 3.32Å; E363-C374 WeakPolarHBondContact O-CB 3.24Å
364F89.2Confident85.1Confident3 Ų356.3 Ų56.31%0.01332%0.317CS..Hα-helixtrans-64.3-46.1-179.3179.7-115.2000113.9E360 Q366 C374 I375 L378 F421 I476 I479E360-F364 PolarHBondContact O-N 3.03Å; F364-Q366 PolarHBondContact O-N 3.4Å; F364-C374 WeakPolarHBondContact O-CA 3.3Å; F364-I375 HydrophobicContact CD2-CB 4.31Å; F364-I375 HydrophobicContact CE1-CB 4.35Å; F364-I375 HydrophobicContact CE1-CD1 4.35Å; F364-I375 HydrophobicContact CE2-CB 3.82Å; F364-I375 HydrophobicContact CE2-CG1 4.29Å; F364-I375 HydrophobicContact CZ-CB 3.83Å; F364-I375 HydrophobicContact CZ-CD1 3.93Å; F364-I375 HydrophobicContact CZ-CG1 4.02Å; F364-I375 PolarHBondContact O-N 3.19Å; F364-L378 HydrophobicContact CD2-CD1 4.37Å; F364-L378 HydrophobicContact CE2-CD1 3.8Å; F364-F421 AromaticContact CE1-CE1 3.79Å; F364-F421 HydrophobicContact CE1-CE1 3.79Å; F364-F421 HydrophobicContact CE1-CZ 4.06Å; F364-F421 HydrophobicContact CZ-CE1 4.43Å; F364-F421 HydrophobicContact CZ-CZ 4.45Å; F364-I476 HydrophobicContact CZ-CG1 4Å; F364-I479 HydrophobicContact CB-CD1 3.97Å; F364-I479 HydrophobicContact CB-CG2 4.07Å; F364-I479 HydrophobicContact CD1-CB 4.41Å; F364-I479 HydrophobicContact CD1-CD1 4.23Å; F364-I479 HydrophobicContact CD1-CG2 3.58Å; F364-I479 HydrophobicContact CD2-CD1 3.14Å; F364-I479 HydrophobicContact CD2-CG1 4.45Å; F364-I479 HydrophobicContact CD2-CG2 4.45Å; F364-I479 HydrophobicContact CE1-CG2 4.06Å; F364-I479 HydrophobicContact CE2-CD1 3.53Å; F364-I479 HydrophobicContact CG-CB 4.48Å; F364-I479 HydrophobicContact CG-CD1 3.53Å; F364-I479 HydrophobicContact CG-CG2 3.79Å; F364-I479 HydrophobicContact CZ-CD1 4.22Å
365L91.2Very high85Confident0 Ų056.3 Ų56.30%032%0.317CS..SBendtrans-80.359.2-173.5-66.8-177.7000112.7I352 V361 Y390 L391 M393 F421I352-L365 HydrophobicContact CG2-CD1 4Å; V361-L365 HydrophobicContact CG1-CD1 3.67Å; V361-L365 HydrophobicContact CG1-CG 4.15Å; V361-L365 WeakPolarHBondContact O-CB 3.37Å; V361-L365 WeakPolarHBondContact O-CG 3.44Å; V361-L365 PolarHBondContact O-N 2.85Å; L365-Y390 CarbonylContact O-C 3.54Å; L365-Y390 WeakPolarHBondContact O-CA 3.46Å; L365-L391 HydrophobicContact CB-CB 4.29Å; L365-L391 PolarHBondContact O-N 3.3Å; L365-M393 HydrophobicContact CD1-CB 4.02Å; L365-M393 HydrophobicContact CD1-CE 4.42Å; L365-M393 HydrophobicContact CD2-CB 3.91Å; L365-M393 HydrophobicContact CD2-SD 4.4Å; L365-F421 HydrophobicContact CD2-CD1 3.83Å; L365-F421 HydrophobicContact CD2-CE1 3.56Å
366Q92.3Very high85Confident25 Ų2554.3 Ų54.312%0.11730%0.304CS..BIsolated β-bridgetrans-134147.9178-59.1-17819.900111.6K362 F364 S368 C374 G376 Q389 Y390K362-Q366 WeakPolarHBondContact O-CG 3.21Å; K362-Q366 PolarHBondContact O-NE2 3.11Å; F364-Q366 PolarHBondContact O-N 3.4Å; Q366-S368 VanDerWaalsContact C-N 3.35Å; Q366-S368 PolarHBondContact OE1-O 3.39Å; Q366-C374 HydrophobicContact CB-CB 3.94Å; Q366-G376 PolarHBondContact O-N 3Å; Q366-Q389 WeakPolarHBondContact CA-O 3.11Å; Q366-Y390 HydrophobicContact CG-CD1 3.8Å; Q366-Y390 HydrophobicContact CG-CE1 3.96Å
367T90.1Very high85Confident8 Ų848.4 Ų48.45%0.04929%0.288CS..SBendtrans-75.4-22.6174.152.40000113.6G376 F383 Q386 K387 R388 Q389 L391T367-G376 VanDerWaalsContact O-CA 3.26Å; T367-G376 WeakPolarHBondContact O-CA 3.36Å; T367-F383 HydrophobicContact CG2-CD1 4.02Å; T367-Q386 HydrophobicContact CG2-CB 3.96Å; T367-K387 PolarHBondContact OG1-O 2.83Å; T367-R388 WeakPolarHBondContact OG1-CA 3.15Å; T367-Q389 HydrophobicContact CG2-CG 3.7Å; T367-Q389 PolarHBondContact N-O 2.83Å; T367-Q389 PolarHBondContact OG1-N 3.29Å; T367-Q389 PolarHBondContact OG1-O 2.8Å; T367-L391 HydrophobicContact CG2-CD1 4.38Å; T367-L391 HydrophobicContact CG2-CD2 3.59Å; T367-L391 HydrophobicContact CG2-CG 4.09Å
368S88.3Confident85Confident43 Ų4349 Ų4930%0.30129%0.289SS..  trans-159.8147172.157.10000109.9Q366 R388Q366-S368 VanDerWaalsContact C-N 3.35Å; Q366-S368 PolarHBondContact OE1-O 3.39Å; S368-R388 WeakPolarHBondContact OG-CG 3.15Å
369C86.3Confident85.2Confident18 Ų1847.8 Ų47.812%0.12227%0.271CS..  trans-154.3156.8-176.860.70000109.2C374C369-C374 HydrophobicContact CB-CB 3.69Å; C369-C374 WeakPolarHBondContact CB-SG 3.42Å; C369-C374 PolarHBondContact N-SG 3.15Å; C369-C374 WeakPolarHBondContact SG-CB 3.49Å; C369-C374 PolarHBondContact SG-N 3.5Å; C369-C374 CovalentContact SG-SG 2.03Å; C369-C374 PolarHBondContact SG-SG 2.78Å
370D81.6Confident85Confident140 Ų14046.4 Ų46.475%0.74926%0.26SS*.THydrogen-bonded Turntrans-84.5-24.8-175.6-49.6-58.7000111.8R388D370-R388 IonicContact OD1-NH1 2.71Å; D370-R388 PolarHBondContact OD1-NH1 3.32Å; D370-R388 IonicContact OD2-CZ 3.95Å; D370-R388 IonicContact OD2-NH1 3.82Å; D370-R388 PolarHBondContact OD2-NH1 3.14Å; D370-R388 IonicContact OD2-NH2 2.69Å; D370-R388 PolarHBondContact OD2-NH2 3.17Å
371G75.7Confident85.1Confident55 Ų5545.4 Ų45.457%0.56727%0.268SS*.THydrogen-bonded Turntrans-85.70.3-178.200000116.4R373G371-R373 PolarHBondContact O-N 3.25Å; G371-R373 VanDerWaalsContact O-N 3.09Å
372G75.9Confident85Confident39 Ų3946.3 Ų46.340%0.40227%0.273SS..SBendtrans73.7-8.3175.500000117T377G372-T377 PolarHBondContact O-OG1 2.85Å
373R80.6Confident84.8Confident174 Ų17442.8 Ų42.866%0.65726%0.258SS*.  trans-91.76.7-177.3-66.7-176.7176.7175.4-1.2115.5G371G371-R373 PolarHBondContact O-N 3.25Å; G371-R373 VanDerWaalsContact O-N 3.09Å
374C88.7Confident84.6Confident0 Ų048.5 Ų48.50%028%0.276CS..SBendtrans-85.2154.2176.155.30000112.3E363 F364 Q366 C369 G376 T377 L378E363-C374 VanDerWaalsContact O-CB 3.32Å; E363-C374 WeakPolarHBondContact O-CB 3.24Å; F364-C374 WeakPolarHBondContact O-CA 3.3Å; Q366-C374 HydrophobicContact CB-CB 3.94Å; C369-C374 HydrophobicContact CB-CB 3.69Å; C369-C374 WeakPolarHBondContact CB-SG 3.42Å; C369-C374 PolarHBondContact N-SG 3.15Å; C369-C374 WeakPolarHBondContact SG-CB 3.49Å; C369-C374 PolarHBondContact SG-N 3.5Å; C369-C374 CovalentContact SG-SG 2.03Å; C369-C374 PolarHBondContact SG-SG 2.78Å; C374-G376 PolarHBondContact O-N 3.22Å; C374-G376 VanDerWaalsContact O-N 3.11Å; C374-T377 PolarHBondContact N-OG1 2.7Å; C374-T377 PolarHBondContact O-N 2.91Å; C374-T377 VanDerWaalsContact O-N 3.1Å; C374-T377 PolarHBondContact O-OG1 2.85Å; C374-T377 PolarHBondContact SG-OG1 2.9Å; C374-T377 VanDerWaalsContact SG-OG1 3.4Å; C374-L378 WeakPolarHBondContact O-CG 3.35Å; C374-L378 PolarHBondContact O-N 3.1Å
375I86.8Confident84.4Confident0 Ų052.1 Ų52.10%031%0.314CS..Hα-helixtrans-59.9-28.1178.3-163.5172000113.1F364 L378 L379 F383 L391 F421 Y432F364-I375 HydrophobicContact CD2-CB 4.31Å; F364-I375 HydrophobicContact CE1-CB 4.35Å; F364-I375 HydrophobicContact CE1-CD1 4.35Å; F364-I375 HydrophobicContact CE2-CB 3.82Å; F364-I375 HydrophobicContact CE2-CG1 4.29Å; F364-I375 HydrophobicContact CZ-CB 3.83Å; F364-I375 HydrophobicContact CZ-CD1 3.93Å; F364-I375 HydrophobicContact CZ-CG1 4.02Å; F364-I375 PolarHBondContact O-N 3.19Å; I375-L378 PolarHBondContact O-N 3.33Å; I375-L379 HydrophobicContact CD1-CD1 4.19Å; I375-L379 HydrophobicContact CG1-CD1 3.96Å; I375-L379 PolarHBondContact O-N 2.82Å; I375-F383 HydrophobicContact CB-CE2 4.47Å; I375-F383 HydrophobicContact CD1-CE2 4.3Å; I375-F383 HydrophobicContact CD1-CZ 4.3Å; I375-F383 HydrophobicContact CG1-CE2 3.89Å; I375-F383 HydrophobicContact CG1-CZ 4.25Å; I375-F383 HydrophobicContact CG2-CE1 4.49Å; I375-F383 HydrophobicContact CG2-CE2 4.09Å; I375-F383 HydrophobicContact CG2-CZ 3.89Å; I375-L391 HydrophobicContact CG2-CD1 3.33Å; I375-F421 HydrophobicContact CD1-CD1 3.5Å; I375-F421 HydrophobicContact CD1-CD2 3.87Å; I375-F421 HydrophobicContact CD1-CE1 3.31Å; I375-F421 HydrophobicContact CD1-CE2 3.68Å; I375-F421 HydrophobicContact CD1-CG 3.77Å; I375-F421 HydrophobicContact CD1-CZ 3.4Å; I375-F421 VanDerWaalsContact CD1-CZ 3.4Å; I375-Y432 HydrophobicContact CD1-CD1 4.47Å
376G86.8Confident84Confident6 Ų655 Ų556%0.06233%0.328CS..Hα-helixtrans-61.8-38.9175.200000114.8Q366 T367 C374Q366-G376 PolarHBondContact O-N 3Å; T367-G376 VanDerWaalsContact O-CA 3.26Å; T367-G376 WeakPolarHBondContact O-CA 3.36Å; C374-G376 PolarHBondContact O-N 3.22Å; C374-G376 VanDerWaalsContact O-N 3.11Å
377T84.4Confident83.8Confident58 Ų5862.4 Ų62.436%0.35636%0.359SS..Hα-helixtrans-78.9-30.2176.546.30000111.8G372 C374 P380G372-T377 PolarHBondContact O-OG1 2.85Å; C374-T377 PolarHBondContact N-OG1 2.7Å; C374-T377 PolarHBondContact O-N 2.91Å; C374-T377 VanDerWaalsContact O-N 3.1Å; C374-T377 PolarHBondContact O-OG1 2.85Å; C374-T377 PolarHBondContact SG-OG1 2.9Å; C374-T377 VanDerWaalsContact SG-OG1 3.4Å; T377-P380 WeakPolarHBondContact O-CD 3.32Å
378L81.7Confident83.7Confident35 Ų3569.3 Ų69.318%0.18338%0.384CS..Hα-helixtrans-75.9-31.8178.1-62167.7000113.2F364 C374 I375 P380 V472 L475F364-L378 HydrophobicContact CD2-CD1 4.37Å; F364-L378 HydrophobicContact CE2-CD1 3.8Å; C374-L378 WeakPolarHBondContact O-CG 3.35Å; C374-L378 PolarHBondContact O-N 3.1Å; I375-L378 PolarHBondContact O-N 3.33Å; L378-P380 WeakPolarHBondContact O-CD 3.17Å; L378-V472 HydrophobicContact CB-CG1 3.86Å; L378-V472 HydrophobicContact CB-CG2 4.14Å; L378-V472 HydrophobicContact CD2-CG2 4.41Å; L378-V472 WeakPolarHBondContact O-CG2 3.37Å; L378-L475 HydrophobicContact CD1-CD2 3.35Å; L378-L475 HydrophobicContact CD1-CG 4.02Å; L378-L475 HydrophobicContact CD2-CD2 3.65Å; L378-L475 HydrophobicContact CG-CD2 4.11Å
379L83.3Confident83.9Confident24 Ų2469.7 Ų69.713%0.12638%0.382CS..SBendtrans-121.960.1179-66.1173.8000111.2I375 A381 V382 F383 Y432 V472 I476I375-L379 HydrophobicContact CD1-CD1 4.19Å; I375-L379 HydrophobicContact CG1-CD1 3.96Å; I375-L379 PolarHBondContact O-N 2.82Å; L379-A381 PolarHBondContact O-N 3.18Å; L379-A381 VanDerWaalsContact O-N 3.12Å; L379-V382 HydrophobicContact CB-CB 4.17Å; L379-V382 HydrophobicContact CB-CG2 4.22Å; L379-V382 PolarHBondContact O-N 3.35Å; L379-F383 HydrophobicContact CB-CD2 3.87Å; L379-F383 HydrophobicContact CB-CE2 3.89Å; L379-F383 HydrophobicContact CD1-CE2 4.26Å; L379-F383 WeakPolarHBondContact O-CD2 3.44Å; L379-F383 PolarHBondContact O-N 3.3Å; L379-F383 VanDerWaalsContact O-N 3.14Å; L379-Y432 HydrophobicContact CD1-CD1 3.78Å; L379-Y432 HydrophobicContact CD1-CD2 4.02Å; L379-Y432 HydrophobicContact CD1-CE1 3.49Å; L379-Y432 VanDerWaalsContact CD1-CE1 3.49Å; L379-Y432 HydrophobicContact CD1-CE2 3.74Å; L379-Y432 HydrophobicContact CD1-CG 4Å; L379-Y432 VanDerWaalsContact CD1-CZ 3.41Å; L379-V472 HydrophobicContact CD2-CG1 3.65Å; L379-V472 HydrophobicContact CG-CG1 3.85Å; L379-I476 HydrophobicContact CD1-CD1 4.36Å
380P80.4Confident84.2Confident75 Ų7572.5 Ų72.549%0.48739%0.39SS..Hα-helixtrans-62.9-29-170.726.5-34.7000112.3T377 L378 V382 R384T377-P380 WeakPolarHBondContact O-CD 3.32Å; L378-P380 WeakPolarHBondContact O-CD 3.17Å; P380-V382 VanDerWaalsContact C-N 3.34Å; P380-R384 VanDerWaalsContact O-CB 3.31Å; P380-R384 WeakPolarHBondContact O-CB 3.39Å; P380-R384 PolarHBondContact O-N 3.25Å
381A82.7Confident84.7Confident74 Ų7465.9 Ų65.961%0.61236%0.355SS*.Hα-helixtrans-66-34.8175.800000112.9L379L379-A381 PolarHBondContact O-N 3.18Å; L379-A381 VanDerWaalsContact O-N 3.12Å
382V82.6Confident85.5Confident35 Ų3563.4 Ų63.421%0.21233%0.328CS..Hα-helixtrans-80-39.1-178.91790000111L379 P380 L431 Y432L379-V382 HydrophobicContact CB-CB 4.17Å; L379-V382 HydrophobicContact CB-CG2 4.22Å; L379-V382 PolarHBondContact O-N 3.35Å; P380-V382 VanDerWaalsContact C-N 3.34Å; V382-L431 HydrophobicContact CG1-CB 4.45Å; V382-L431 WeakPolarHBondContact CG1-O 3.1Å; V382-Y432 HydrophobicContact CG1-CD2 4.39Å; V382-Y432 HydrophobicContact CG2-CD2 4.17Å
383F83.8Confident86.2Confident10 Ų1061.5 Ų61.54%0.04431%0.309CS..Hα-helixtrans-96.33.3-175.1-64.2-81.5000114.2T367 I375 L379 G385 Q386 L391 L431T367-F383 HydrophobicContact CG2-CD1 4.02Å; I375-F383 HydrophobicContact CB-CE2 4.47Å; I375-F383 HydrophobicContact CD1-CE2 4.3Å; I375-F383 HydrophobicContact CD1-CZ 4.3Å; I375-F383 HydrophobicContact CG1-CE2 3.89Å; I375-F383 HydrophobicContact CG1-CZ 4.25Å; I375-F383 HydrophobicContact CG2-CE1 4.49Å; I375-F383 HydrophobicContact CG2-CE2 4.09Å; I375-F383 HydrophobicContact CG2-CZ 3.89Å; L379-F383 HydrophobicContact CB-CD2 3.87Å; L379-F383 HydrophobicContact CB-CE2 3.89Å; L379-F383 HydrophobicContact CD1-CE2 4.26Å; L379-F383 WeakPolarHBondContact O-CD2 3.44Å; L379-F383 PolarHBondContact O-N 3.3Å; L379-F383 VanDerWaalsContact O-N 3.14Å; F383-G385 PolarHBondContact O-N 2.88Å; F383-Q386 HydrophobicContact CB-CG 4.46Å; F383-Q386 HydrophobicContact CD1-CG 4.39Å; F383-Q386 VanDerWaalsContact O-CB 3.3Å; F383-Q386 WeakPolarHBondContact O-CB 3.36Å; F383-Q386 WeakPolarHBondContact O-CG 3.45Å; F383-Q386 PolarHBondContact O-N 3.32Å; F383-L391 HydrophobicContact CD1-CD1 4.36Å; F383-L391 HydrophobicContact CE1-CD1 3.52Å; F383-L391 HydrophobicContact CE1-CD2 4.17Å; F383-L391 HydrophobicContact CE1-CG 4.5Å; F383-L391 HydrophobicContact CZ-CD1 3.9Å; F383-L431 HydrophobicContact CD1-CD1 3.84Å; F383-L431 HydrophobicContact CE1-CB 3.91Å; F383-L431 HydrophobicContact CE1-CD1 3.49Å; F383-L431 VanDerWaalsContact CE1-CD1 3.49Å; F383-L431 HydrophobicContact CE1-CG 4.33Å; F383-L431 HydrophobicContact CZ-CB 4.34Å
384R83.6Confident86.7Confident197 Ų19755.3 Ų55.374%0.74329%0.286SS*.THydrogen-bonded Turntrans-55.9129.9175.9-160.8175.5-68.1169.1-2.5111.2P380 Q386P380-R384 VanDerWaalsContact O-CB 3.31Å; P380-R384 WeakPolarHBondContact O-CB 3.39Å; P380-R384 PolarHBondContact O-N 3.25Å; R384-Q386 PolarHBondContact O-N 3.27Å
385G85.1Confident86.8Confident78 Ų7855.6 Ų55.680%0.80429%0.287SS*.THydrogen-bonded Turntrans74.23.9179.900000115F383F383-G385 PolarHBondContact O-N 2.88Å
386Q83.8Confident87Confident62 Ų6255.6 Ų55.629%0.2929%0.287SS..PPolyproline II helixtrans-75.2137.3168.7-60.5-56.2-58.500109.9T367 F383 R384 L431T367-Q386 HydrophobicContact CG2-CB 3.96Å; F383-Q386 HydrophobicContact CB-CG 4.46Å; F383-Q386 HydrophobicContact CD1-CG 4.39Å; F383-Q386 VanDerWaalsContact O-CB 3.3Å; F383-Q386 WeakPolarHBondContact O-CB 3.36Å; F383-Q386 WeakPolarHBondContact O-CG 3.45Å; F383-Q386 PolarHBondContact O-N 3.32Å; R384-Q386 PolarHBondContact O-N 3.27Å; Q386-L431 HydrophobicContact CG-CD1 4.49Å
387K87.4Confident87.3Confident179 Ų17955.5 Ų55.578%0.77829%0.285SS*.PPolyproline II helixtrans-63.2149.3171.5-65.2-173.1177.8-1720110.1T367 Q389T367-K387 PolarHBondContact OG1-O 2.83Å; K387-Q389 WeakPolarHBondContact O-CG 3.49Å; K387-Q389 PolarHBondContact O-N 2.96Å; K387-Q389 VanDerWaalsContact O-N 3.15Å
388R88.8Confident87.7Confident153 Ų15353.5 Ų53.558%0.57727%0.271SS*.SBendtrans-58.8116.5173.3-174.1169.9-175.3157.70.1109T367 S368 D370T367-R388 WeakPolarHBondContact OG1-CA 3.15Å; S368-R388 WeakPolarHBondContact OG-CG 3.15Å; D370-R388 IonicContact OD1-NH1 2.71Å; D370-R388 PolarHBondContact OD1-NH1 3.32Å; D370-R388 IonicContact OD2-CZ 3.95Å; D370-R388 IonicContact OD2-NH1 3.82Å; D370-R388 PolarHBondContact OD2-NH1 3.14Å; D370-R388 IonicContact OD2-NH2 2.69Å; D370-R388 PolarHBondContact OD2-NH2 3.17Å
389Q91.6Very high88.2Confident52 Ų5253.2 Ų53.224%0.24327%0.271CS..  trans-161.2161.2-178.666.2-171.9-35.900110.7Q366 T367 K387Q366-Q389 WeakPolarHBondContact CA-O 3.11Å; T367-Q389 HydrophobicContact CG2-CG 3.7Å; T367-Q389 PolarHBondContact N-O 2.83Å; T367-Q389 PolarHBondContact OG1-N 3.29Å; T367-Q389 PolarHBondContact OG1-O 2.8Å; K387-Q389 WeakPolarHBondContact O-CG 3.49Å; K387-Q389 PolarHBondContact O-N 2.96Å; K387-Q389 VanDerWaalsContact O-N 3.15Å
390Y92.7Very high88.6Confident77 Ų7752.3 Ų52.330%0.30227%0.267SS..BIsolated β-bridgetrans-74.9151.5166.6-66.5-80.5000110.7K362 L365 Q366 Q424K362-Y390 HydrophobicContact CD-CE1 4.5Å; K362-Y390 VanDerWaalsContact CE-OH 3.23Å; K362-Y390 WeakPolarHBondContact CE-OH 3.35Å; K362-Y390 HydrophobicContact CG-CD1 4.47Å; K362-Y390 HydrophobicContact CG-CE1 3.71Å; L365-Y390 CarbonylContact O-C 3.54Å; L365-Y390 WeakPolarHBondContact O-CA 3.46Å; Q366-Y390 HydrophobicContact CG-CD1 3.8Å; Q366-Y390 HydrophobicContact CG-CE1 3.96Å; Y390-Q424 VanDerWaalsContact O-CG 3.22Å; Y390-Q424 WeakPolarHBondContact O-CG 3.49Å
391L93.2Very high89.2Confident0 Ų049 Ų490%025%0.245CC..EExtended strand (participates in β ladder)trans-104.6160.8178.5-63.6174.2000111.3G354 L365 T367 I375 F383 Y422 L431G354-L391 PolarHBondContact N-O 2.97Å; L365-L391 HydrophobicContact CB-CB 4.29Å; L365-L391 PolarHBondContact O-N 3.3Å; T367-L391 HydrophobicContact CG2-CD1 4.38Å; T367-L391 HydrophobicContact CG2-CD2 3.59Å; T367-L391 HydrophobicContact CG2-CG 4.09Å; I375-L391 HydrophobicContact CG2-CD1 3.33Å; F383-L391 HydrophobicContact CD1-CD1 4.36Å; F383-L391 HydrophobicContact CE1-CD1 3.52Å; F383-L391 HydrophobicContact CE1-CD2 4.17Å; F383-L391 HydrophobicContact CE1-CG 4.5Å; F383-L391 HydrophobicContact CZ-CD1 3.9Å; L391-Y422 WeakPolarHBondContact CA-O 3.43Å; L391-Y422 WeakPolarHBondContact CD2-O 2.95Å; L391-L431 HydrophobicContact CD2-CD1 3.77Å
392Q91.5Very high89.8Confident3 Ų346.9 Ų46.91%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-107.8131.2166.7-63-171.3-26.500109I351 I352 E353 F421 Y422 Q424I351-Q392 HydrophobicContact CG2-CB 4.31Å; I352-Q392 WeakPolarHBondContact O-CA 3.36Å; E353-Q392 HydrophobicContact CG-CG 4.38Å; E353-Q392 PolarHBondContact OE1-NE2 2.86Å; Q392-F421 CarbonylContact O-C 3.57Å; Q392-F421 WeakPolarHBondContact O-CA 3.35Å; Q392-Y422 PolarHBondContact N-O 2.82Å; Q392-Y422 PolarHBondContact O-N 3.05Å; Q392-Q424 HydrophobicContact CG-CG 4.08Å
393M90.6Very high90.3Very high0 Ų045.5 Ų45.50%022%0.216CC..EExtended strand (participates in β ladder)trans-104.5119173.1-177.1169.953.800109.2I351 I352 L365 I395 Q420 F421I351-M393 WeakPolarHBondContact CA-O 3.36Å; I352-M393 HydrophobicContact CB-CB 4.45Å; I352-M393 HydrophobicContact CB-CE 4.43Å; I352-M393 HydrophobicContact CD1-CE 3.91Å; I352-M393 PolarHBondContact N-O 3.03Å; I352-M393 PolarHBondContact O-N 3.2Å; L365-M393 HydrophobicContact CD1-CB 4.02Å; L365-M393 HydrophobicContact CD1-CE 4.42Å; L365-M393 HydrophobicContact CD2-CB 3.91Å; L365-M393 HydrophobicContact CD2-SD 4.4Å; M393-I395 HydrophobicContact CE-CD1 3.81Å; M393-I395 HydrophobicContact CE-CG1 4.37Å; M393-I395 HydrophobicContact CG-CD1 4.38Å; M393-I395 HydrophobicContact CG-CG1 3.9Å; M393-I395 HydrophobicContact SD-CD1 4.14Å; M393-I395 HydrophobicContact SD-CG1 4.23Å; M393-Q420 CarbonylContact C-O 3.6Å; M393-Q420 WeakPolarHBondContact CA-O 3.29Å; M393-F421 HydrophobicContact CB-CE1 4.42Å; M393-F421 HydrophobicContact CG-CE1 4.19Å; M393-F421 HydrophobicContact CG-CZ 4.41Å; M393-F421 HydrophobicContact SD-CE1 3.9Å; M393-F421 HydrophobicContact SD-CZ 3.91Å
394R91.1Very high90.8Very high44 Ų4449.2 Ų49.217%0.16623%0.232CC..EExtended strand (participates in β ladder)trans-92.5124.4168.9-55-165.8174.5168.2-4.5108.6F252 I350 I351 F396 A419 Q420 Y422F252-R394 HydrophobicContact CD1-CB 4.23Å; F252-R394 HydrophobicContact CD1-CG 4.44Å; F252-R394 HydrophobicContact CE1-CB 3.82Å; F252-R394 HydrophobicContact CE1-CG 4.36Å; F252-R394 HydrophobicContact CZ-CB 4.42Å; I350-R394 WeakPolarHBondContact O-CA 3.44Å; I351-R394 HydrophobicContact CG1-CG 4.07Å; R394-F396 HydrophobicContact CB-CD1 4.4Å; R394-F396 HydrophobicContact CB-CE1 4.46Å; R394-A419 CarbonylContact O-C 3.53Å; R394-A419 WeakPolarHBondContact O-CA 3.36Å; R394-Q420 HydrophobicContact CB-CB 4.23Å; R394-Q420 PolarHBondContact N-O 2.88Å; R394-Q420 PolarHBondContact O-N 3.28Å; R394-Y422 HydrophobicContact CG-CD2 3.87Å; R394-Y422 HydrophobicContact CG-CE2 3.88Å; R394-Y422 PolarHBondContact NH1-OH 3.05Å
395I90.8Very high91.3Very high5 Ų540 Ų403%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-117.4130.5173.6-53.5178.8000107.7I350 I352 M393 L417 T418 T480I350-I395 HydrophobicContact CD1-CB 4.02Å; I350-I395 HydrophobicContact CD1-CD1 4.42Å; I350-I395 HydrophobicContact CG1-CB 3.77Å; I350-I395 VanDerWaalsContact CG1-O 3.31Å; I350-I395 WeakPolarHBondContact CG1-O 3.36Å; I350-I395 PolarHBondContact N-O 2.86Å; I350-I395 PolarHBondContact O-N 3.45Å; I352-I395 HydrophobicContact CD1-CD1 3.81Å; M393-I395 HydrophobicContact CE-CD1 3.81Å; M393-I395 HydrophobicContact CE-CG1 4.37Å; M393-I395 HydrophobicContact CG-CD1 4.38Å; M393-I395 HydrophobicContact CG-CG1 3.9Å; M393-I395 HydrophobicContact SD-CD1 4.14Å; M393-I395 HydrophobicContact SD-CG1 4.23Å; I395-L417 HydrophobicContact CG2-CB 4.13Å; I395-L417 HydrophobicContact CG2-CD1 3.85Å; I395-L417 HydrophobicContact CG2-CG 4.4Å; I395-T418 WeakPolarHBondContact CA-O 3.26Å; I395-T480 HydrophobicContact CD1-CG2 4.21Å
396F91.8Very high91.6Very high1 Ų139.3 Ų39.30%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-153.5145.6176.652.7-88.4000111F252 N349 R394 L417 T418 Q420F252-F396 HydrophobicContact CE1-CB 4.09Å; F252-F396 AromaticContact CE1-CD1 3.45Å; F252-F396 HydrophobicContact CE1-CD1 3.45Å; F252-F396 VanDerWaalsContact CE1-CD1 3.45Å; F252-F396 HydrophobicContact CE1-CE1 4.16Å; F252-F396 HydrophobicContact CE1-CG 4.07Å; F252-F396 HydrophobicContact CZ-CB 4.5Å; F252-F396 AromaticContact CZ-CD1 3.54Å; F252-F396 HydrophobicContact CZ-CD1 3.54Å; F252-F396 AromaticContact CZ-CE1 3.88Å; F252-F396 HydrophobicContact CZ-CE1 3.88Å; F252-F396 HydrophobicContact CZ-CG 4.13Å; N349-F396 HydrophobicContact CB-CB 4.14Å; N349-F396 WeakPolarHBondContact OD1-CB 3.04Å; R394-F396 HydrophobicContact CB-CD1 4.4Å; R394-F396 HydrophobicContact CB-CE1 4.46Å; F396-L417 CarbonylContact O-C 3.59Å; F396-L417 WeakPolarHBondContact O-CA 3.33Å; F396-T418 HydrophobicContact CE1-CG2 4.12Å; F396-T418 HydrophobicContact CE2-CG2 3.8Å; F396-T418 HydrophobicContact CZ-CG2 3.49Å; F396-T418 VanDerWaalsContact CZ-CG2 3.49Å; F396-T418 PolarHBondContact N-O 3.3Å; F396-T418 VanDerWaalsContact N-O 3.11Å; F396-T418 PolarHBondContact O-N 3.15Å; F396-Q420 HydrophobicContact CE1-CG 3.81Å; F396-Q420 HydrophobicContact CZ-CG 4.09Å
397P93.3Very high91.8Very high3 Ų336.4 Ų36.42%0.01916%0.16CC..EExtended strand (participates in β ladder)trans-63.7134.9171.225.2-34.7000112.5Y343 L348 T399 P401 A416 L417Y343-P397 HydrophobicContact CD2-CB 3.88Å; Y343-P397 HydrophobicContact CD2-CG 3.54Å; Y343-P397 HydrophobicContact CE2-CB 4.06Å; Y343-P397 HydrophobicContact CE2-CG 4.05Å; L348-P397 HydrophobicContact CB-CG 3.86Å; L348-P397 HydrophobicContact CD1-CG 4.08Å; P397-T399 VanDerWaalsContact CB-O 3.24Å; P397-T399 WeakPolarHBondContact CB-O 3.29Å; P397-P401 HydrophobicContact CB-CG 4.42Å; P397-A416 VanDerWaalsContact CA-O 3.29Å; P397-A416 WeakPolarHBondContact CA-O 3.06Å; P397-L417 HydrophobicContact CB-CD2 4.16Å
398Y91.9Very high91.7Very high17 Ų1732.9 Ų32.97%0.06716%0.155CC..SBendtrans-95.3-11.7166.965.6-99.6000112.6K22 Y343 A416 L417 N435K22-Y398 HydrophobicContact CD-CD2 4.27Å; K22-Y398 HydrophobicContact CD-CE2 4.36Å; K22-Y398 PolarHBondContact N-O 3.39Å; Y343-Y398 PolarHBondContact OH-O 3.34Å; Y398-A416 WeakPolarHBondContact CD1-O 3.43Å; Y398-A416 HydrophobicContact CE1-CB 3.87Å; Y398-A416 HydrophobicContact CE2-CB 3.92Å; Y398-A416 PolarHBondContact N-O 3.46Å; Y398-L417 VanDerWaalsContact CD1-C 3.48Å; Y398-L417 WeakPolarHBondContact CD1-O 3.38Å; Y398-L417 WeakPolarHBondContact CE1-O 3.39Å; Y398-N435 HydrophobicContact CD1-CB 4.38Å; Y398-N435 HydrophobicContact CE1-CB 3.93Å
399T92Very high91.6Very high28 Ų2833.1 Ų33.117%0.17216%0.161CC..SBendtrans-142.7165.6164-169.50000109.7P23 P397 A416P23-T399 PolarHBondContact O-OG1 2.96Å; P397-T399 VanDerWaalsContact CB-O 3.24Å; P397-T399 WeakPolarHBondContact CB-O 3.29Å; T399-A416 HydrophobicContact CG2-CB 3.39Å
400C91.5Very high91.6Very high6 Ų631.2 Ų31.24%0.04116%0.155CC..  trans-60.8130.1-177-169.50000111.2C24 Y343C24-C400 HydrophobicContact CB-CB 3.89Å; C24-C400 WeakPolarHBondContact SG-CB 3.37Å; Y343-C400 HydrophobicContact CD1-CB 3.76Å; Y343-C400 HydrophobicContact CE1-CB 4.17Å; Y343-C400 HydrophobicContact CG-CB 4.38Å
401P94.1Very high91.7Very high6 Ų627.7 Ų27.74%0.03914%0.142CC..  trans-55.4140.9162.6-26.937.7000110.8L339 L348 P397 D414 L415L339-P401 HydrophobicContact CD1-CB 4.23Å; L339-P401 HydrophobicContact CD2-CB 4.45Å; L348-P401 HydrophobicContact CD1-CG 3.73Å; P397-P401 HydrophobicContact CB-CG 4.42Å; P401-D414 WeakPolarHBondContact CA-O 3.29Å; P401-L415 HydrophobicContact CB-CD2 3.87Å; P401-L415 HydrophobicContact CG-CD2 4.16Å
402V93.9Very high91.8Very high29 Ų2929.5 Ų29.518%0.17615%0.15CC..EExtended strand (participates in β ladder)trans-124.5135.2-180-176.20000109.3L26 K404 D414L26-V402 HydrophobicContact CD2-CB 4.37Å; L26-V402 HydrophobicContact CD2-CG1 3.87Å; L26-V402 HydrophobicContact CD2-CG2 3.74Å; V402-K404 HydrophobicContact CG1-CG 4.46Å; V402-D414 HydrophobicContact CB-CB 4.44Å; V402-D414 PolarHBondContact N-O 2.83Å; V402-D414 PolarHBondContact O-N 3.49Å
403V94.3Very high92Very high5 Ų530.1 Ų30.13%0.0315%0.154CC..EExtended strand (participates in β ladder)trans-108.5133.1171.91690000109.2I335 N336 L339 I405 I411 Q412 V413I335-V403 HydrophobicContact CD1-CG1 4.3Å; I335-V403 HydrophobicContact CG2-CB 4Å; I335-V403 HydrophobicContact CG2-CG1 4.16Å; I335-V403 HydrophobicContact CG2-CG2 3.85Å; N336-V403 PolarHBondContact ND2-O 3.22Å; N336-V403 PolarHBondContact OD1-N 3.01Å; N336-V403 PolarHBondContact OD1-O 3.28Å; L339-V403 HydrophobicContact CD1-CB 4.32Å; L339-V403 HydrophobicContact CD1-CG2 3.48Å; L339-V403 VanDerWaalsContact CD1-CG2 3.48Å; V403-I405 HydrophobicContact CG1-CG1 4.13Å; V403-I411 HydrophobicContact CG1-CG2 3.47Å; V403-I411 VanDerWaalsContact CG1-CG2 3.47Å; V403-Q412 VanDerWaalsContact CA-O 3.32Å; V403-Q412 WeakPolarHBondContact CA-O 3.45Å; V403-V413 HydrophobicContact CG2-CG1 4.3Å; V403-V413 HydrophobicContact CG2-CG2 4.2Å
404K94.2Very high92.2Very high89 Ų8931.7 Ų31.739%0.38716%0.162SC..EExtended strand (participates in β ladder)trans-122.7131.2171-64.3176.5-177.71650108.5V402 Q412 D414V402-K404 HydrophobicContact CG1-CG 4.46Å; K404-Q412 HydrophobicContact CB-CB 4.43Å; K404-Q412 PolarHBondContact N-O 3.49Å; K404-Q412 PolarHBondContact O-N 2.9Å; K404-D414 IonicContact NZ-OD2 2.7Å
405I94.2Very high92.3Very high2 Ų230.6 Ų30.61%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-109.6114.6179-51.8164.4000107.6E332 I335 V403 I411 T513 E514 G516 G517 I518E332-I405 HydrophobicContact CB-CD1 4.17Å; E332-I405 HydrophobicContact CB-CG1 4.42Å; I335-I405 HydrophobicContact CD1-CD1 4.07Å; V403-I405 HydrophobicContact CG1-CG1 4.13Å; I405-I411 HydrophobicContact CG1-CG1 4.32Å; I405-I411 HydrophobicContact CG1-CG2 4.35Å; I405-I411 HydrophobicContact CG2-CG1 4.32Å; I405-T513 HydrophobicContact CG2-CG2 4.17Å; I405-E514 WeakPolarHBondContact CG2-O 3.49Å; I405-G516 PolarHBondContact O-N 2.99Å; I405-G517 WeakPolarHBondContact CG2-O 2.88Å; I405-I518 HydrophobicContact CD1-CD1 4.46Å; I405-I518 HydrophobicContact CD1-CG1 3.97Å
406Q91.2Very high92.4Very high64 Ų6430.7 Ų30.730%0.29916%0.162SC..BIsolated β-bridgetrans-11248.2-167.8-66.3-178.4-31.200110.9P408 K409 G410Q406-P408 WeakPolarHBondContact O-CD 3.14Å; Q406-P408 VanDerWaalsContact O-N 3.16Å; Q406-K409 HydrophobicContact CB-CB 3.88Å; Q406-K409 HydrophobicContact CB-CD 4.39Å; Q406-K409 WeakPolarHBondContact O-CB 3.36Å; Q406-K409 PolarHBondContact O-N 2.74Å; Q406-G410 PolarHBondContact N-O 3.34Å
407G87.6Confident92.5Very high1 Ų131.3 Ų31.31%0.0117%0.165CC..G310 helixtrans50.7-119.7-17900000111.9K409 G410 T513 E514 E515G407-K409 PolarHBondContact O-N 3.45Å; G407-G410 PolarHBondContact O-N 2.87Å; G407-G410 VanDerWaalsContact O-N 3.1Å; G407-T513 CarbonylContact C-O 3.39Å; G407-T513 WeakPolarHBondContact O-CB 3.17Å; G407-T513 PolarHBondContact O-OG1 3.49Å; G407-E514 VanDerWaalsContact CA-C 3.49Å; G407-E514 WeakPolarHBondContact CA-O 3.11Å; G407-E514 PolarHBondContact N-O 2.82Å; G407-E515 PolarHBondContact N-OE2 2.92Å
408P85.5Confident92.4Very high105 Ų10531.1 Ų31.168%0.68216%0.164SC*.G310 helixtrans-67.8-17-176.830.5-35.1000114.1Q406 G410Q406-P408 WeakPolarHBondContact O-CD 3.14Å; Q406-P408 VanDerWaalsContact O-N 3.16Å; P408-G410 PolarHBondContact O-N 3.2Å
409K87.3Confident92.3Very high158 Ų15830.4 Ų30.469%0.68716%0.161SC*.G310 helixtrans-73.5-7174.9-64179.4178.8176.30112.6Q406 G407Q406-K409 HydrophobicContact CB-CB 3.88Å; Q406-K409 HydrophobicContact CB-CD 4.39Å; Q406-K409 WeakPolarHBondContact O-CB 3.36Å; Q406-K409 PolarHBondContact O-N 2.74Å; G407-K409 PolarHBondContact O-N 3.45Å
410G90.2Very high92.3Very high13 Ų1329.5 Ų29.513%0.13416%0.155CC..  trans82.8-152177.500000112.7Q406 G407 P408Q406-G410 PolarHBondContact N-O 3.34Å; G407-G410 PolarHBondContact O-N 2.87Å; G407-G410 VanDerWaalsContact O-N 3.1Å; P408-G410 PolarHBondContact O-N 3.2Å
411I95.5Very high92.3Very high2 Ų229.2 Ų29.21%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-106.7116.9-173-53.6170.6000108.6V403 I405 R441 M442 I444 T513 I518V403-I411 HydrophobicContact CG1-CG2 3.47Å; V403-I411 VanDerWaalsContact CG1-CG2 3.47Å; I405-I411 HydrophobicContact CG1-CG1 4.32Å; I405-I411 HydrophobicContact CG1-CG2 4.35Å; I405-I411 HydrophobicContact CG2-CG1 4.32Å; I411-R441 CarbonylContact O-C 3.56Å; I411-R441 WeakPolarHBondContact O-CA 3.22Å; I411-M442 HydrophobicContact CB-CB 4.11Å; I411-M442 HydrophobicContact CB-CE 4.3Å; I411-M442 WeakPolarHBondContact CB-O 2.99Å; I411-M442 HydrophobicContact CD1-CE 3.61Å; I411-M442 HydrophobicContact CG2-CB 4.41Å; I411-M442 HydrophobicContact CG2-CE 3.91Å; I411-M442 PolarHBondContact N-O 3.12Å; I411-M442 PolarHBondContact O-N 2.89Å; I411-I444 HydrophobicContact CD1-CD1 3.98Å; I411-I444 HydrophobicContact CD1-CG1 3.97Å; I411-I444 HydrophobicContact CD1-CG2 4.12Å; I411-T513 HydrophobicContact CD1-CG2 4.29Å; I411-T513 HydrophobicContact CG1-CG2 3.92Å; I411-I518 HydrophobicContact CD1-CD1 3.82Å; I411-I518 HydrophobicContact CD1-CG1 4.25Å
412Q95.3Very high92.2Very high38 Ų3830.4 Ų30.418%0.17816%0.157CC..EExtended strand (participates in β ladder)trans-93.1134.2173.4-175.1179.4-53.200109.9V403 K404 D414 T439V403-Q412 VanDerWaalsContact CA-O 3.32Å; V403-Q412 WeakPolarHBondContact CA-O 3.45Å; K404-Q412 HydrophobicContact CB-CB 4.43Å; K404-Q412 PolarHBondContact N-O 3.49Å; K404-Q412 PolarHBondContact O-N 2.9Å; Q412-D414 PolarHBondContact NE2-OD1 3.28Å; Q412-D414 PolarHBondContact NE2-OD2 2.93Å; Q412-T439 HydrophobicContact CG-CG2 3.34Å
413V95.1Very high92Very high17 Ų1729.3 Ų29.310%0.10315%0.15CC..EExtended strand (participates in β ladder)trans-119.4113.1177.7-169.40000109V403 L415 T439 G440 M442 F455V403-V413 HydrophobicContact CG2-CG1 4.3Å; V403-V413 HydrophobicContact CG2-CG2 4.2Å; V413-L415 HydrophobicContact CG1-CD2 3.93Å; V413-L415 HydrophobicContact CG1-CG 4.14Å; V413-T439 WeakPolarHBondContact O-CA 3.4Å; V413-G440 PolarHBondContact N-O 3.46Å; V413-G440 PolarHBondContact O-N 3.04Å; V413-M442 HydrophobicContact CG2-CB 4.38Å; V413-F455 HydrophobicContact CB-CE2 3.94Å; V413-F455 HydrophobicContact CB-CZ 4.39Å; V413-F455 HydrophobicContact CG2-CD2 4.49Å; V413-F455 HydrophobicContact CG2-CE2 3.81Å
414D94.6Very high91.4Very high32 Ų3231.1 Ų31.117%0.17116%0.158CC..EExtended strand (participates in β ladder)trans-93.5122.7175.1-64.5-30.4000109.5P401 V402 K404 Q412 T439P401-D414 WeakPolarHBondContact CA-O 3.29Å; V402-D414 HydrophobicContact CB-CB 4.44Å; V402-D414 PolarHBondContact N-O 2.83Å; V402-D414 PolarHBondContact O-N 3.49Å; K404-D414 IonicContact NZ-OD2 2.7Å; Q412-D414 PolarHBondContact NE2-OD1 3.28Å; Q412-D414 PolarHBondContact NE2-OD2 2.93Å; D414-T439 WeakPolarHBondContact OD1-CG2 3.45Å; D414-T439 PolarHBondContact OD1-OG1 2.93Å
415L93.7Very high90.5Very high22 Ų2230.4 Ų30.412%0.11516%0.163CC..EExtended strand (participates in β ladder)trans-119.1139.8-177.6-62.1178.8000110.8P401 V413 L417 R437 G438 L458 M460P401-L415 HydrophobicContact CB-CD2 3.87Å; P401-L415 HydrophobicContact CG-CD2 4.16Å; V413-L415 HydrophobicContact CG1-CD2 3.93Å; V413-L415 HydrophobicContact CG1-CG 4.14Å; L415-L417 HydrophobicContact CB-CD1 4.44Å; L415-L417 HydrophobicContact CB-CG 4.26Å; L415-R437 CarbonylContact O-C 3.51Å; L415-R437 WeakPolarHBondContact O-CA 3.39Å; L415-G438 PolarHBondContact N-O 2.89Å; L415-G438 PolarHBondContact O-N 2.97Å; L415-L458 HydrophobicContact CD1-CD1 3.99Å; L415-M460 HydrophobicContact CB-SD 4.37Å
416A93.6Very high89.6Confident7 Ų736.5 Ų36.56%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-140.594.6179.100000108.2P397 Y398 T399 L436P397-A416 VanDerWaalsContact CA-O 3.29Å; P397-A416 WeakPolarHBondContact CA-O 3.06Å; Y398-A416 WeakPolarHBondContact CD1-O 3.43Å; Y398-A416 HydrophobicContact CE1-CB 3.87Å; Y398-A416 HydrophobicContact CE2-CB 3.92Å; Y398-A416 PolarHBondContact N-O 3.46Å; T399-A416 HydrophobicContact CG2-CB 3.39Å; A416-L436 CarbonylContact C-O 3.57Å; A416-L436 WeakPolarHBondContact CA-O 3.24Å
417L92.9Very high89Confident13 Ų1342.1 Ų42.17%0.06823%0.226CC..EExtended strand (participates in β ladder)trans-115.9152.2-164.9-53.2178000110.8I395 F396 P397 Y398 L415 N435 L436 M460 I484I395-L417 HydrophobicContact CG2-CB 4.13Å; I395-L417 HydrophobicContact CG2-CD1 3.85Å; I395-L417 HydrophobicContact CG2-CG 4.4Å; F396-L417 CarbonylContact O-C 3.59Å; F396-L417 WeakPolarHBondContact O-CA 3.33Å; P397-L417 HydrophobicContact CB-CD2 4.16Å; Y398-L417 VanDerWaalsContact CD1-C 3.48Å; Y398-L417 WeakPolarHBondContact CD1-O 3.38Å; Y398-L417 WeakPolarHBondContact CE1-O 3.39Å; L415-L417 HydrophobicContact CB-CD1 4.44Å; L415-L417 HydrophobicContact CB-CG 4.26Å; L417-N435 CarbonylContact O-C 3.55Å; L417-N435 WeakPolarHBondContact O-CA 3.31Å; L417-L436 PolarHBondContact N-O 2.96Å; L417-L436 PolarHBondContact O-N 3.47Å; L417-L436 VanDerWaalsContact O-O 3.09Å; L417-M460 HydrophobicContact CB-CE 4.17Å; L417-M460 HydrophobicContact CD1-CE 3.81Å; L417-M460 HydrophobicContact CG-CE 4.02Å; L417-I484 HydrophobicContact CD1-CD1 3.6Å
418T91.9Very high88.8Confident0 Ų048.7 Ų48.70%025%0.251CS..EExtended strand (participates in β ladder)trans-109.5129.3164.9-56.50000107.7A18 I395 F396 Q420 H434 N435A18-T418 HydrophobicContact CB-CG2 3.9Å; I395-T418 WeakPolarHBondContact CA-O 3.26Å; F396-T418 HydrophobicContact CE1-CG2 4.12Å; F396-T418 HydrophobicContact CE2-CG2 3.8Å; F396-T418 HydrophobicContact CZ-CG2 3.49Å; F396-T418 VanDerWaalsContact CZ-CG2 3.49Å; F396-T418 PolarHBondContact N-O 3.3Å; F396-T418 VanDerWaalsContact N-O 3.11Å; F396-T418 PolarHBondContact O-N 3.15Å; T418-Q420 HydrophobicContact CG2-CG 3.98Å; T418-H434 CarbonylContact C-O 3.56Å; T418-H434 WeakPolarHBondContact CA-O 3.46Å; T418-N435 PolarHBondContact OG1-OD1 3.2Å
419A90.6Very high89Confident1 Ų150 Ų501%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-104.6124.4171.500000109.3R394 F421 T433 H434 L436R394-A419 CarbonylContact O-C 3.53Å; R394-A419 WeakPolarHBondContact O-CA 3.36Å; A419-F421 HydrophobicContact CB-CE2 4.38Å; A419-T433 WeakPolarHBondContact O-CA 3.47Å; A419-H434 PolarHBondContact N-O 2.83Å; A419-H434 PolarHBondContact O-N 3.1Å; A419-L436 HydrophobicContact CB-CD1 4Å
420Q91.4Very high89.1Confident9 Ų945 Ų454%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-122.2132.9176.8-58.6-178.3-30.700111M393 R394 F396 T418 Y422 M430 Y432M393-Q420 CarbonylContact C-O 3.6Å; M393-Q420 WeakPolarHBondContact CA-O 3.29Å; R394-Q420 HydrophobicContact CB-CB 4.23Å; R394-Q420 PolarHBondContact N-O 2.88Å; R394-Q420 PolarHBondContact O-N 3.28Å; F396-Q420 HydrophobicContact CE1-CG 3.81Å; F396-Q420 HydrophobicContact CZ-CG 4.09Å; T418-Q420 HydrophobicContact CG2-CG 3.98Å; Q420-Y422 HydrophobicContact CB-CD2 4.13Å; Q420-Y422 HydrophobicContact CB-CE2 3.63Å; Q420-Y422 PolarHBondContact OE1-OH 3.16Å; Q420-M430 HydrophobicContact CG-SD 4.44Å; Q420-Y432 CarbonylContact C-O 3.53Å; Q420-Y432 WeakPolarHBondContact CA-O 3.3Å
421F90.9Very high89.1Confident1 Ų144.9 Ų44.90%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-103.4127.5179.3-60.4-96000109.6F364 L365 I375 Q392 M393 A419 L431 Y432F364-F421 AromaticContact CE1-CE1 3.79Å; F364-F421 HydrophobicContact CE1-CE1 3.79Å; F364-F421 HydrophobicContact CE1-CZ 4.06Å; F364-F421 HydrophobicContact CZ-CE1 4.43Å; F364-F421 HydrophobicContact CZ-CZ 4.45Å; L365-F421 HydrophobicContact CD2-CD1 3.83Å; L365-F421 HydrophobicContact CD2-CE1 3.56Å; I375-F421 HydrophobicContact CD1-CD1 3.5Å; I375-F421 HydrophobicContact CD1-CD2 3.87Å; I375-F421 HydrophobicContact CD1-CE1 3.31Å; I375-F421 HydrophobicContact CD1-CE2 3.68Å; I375-F421 HydrophobicContact CD1-CG 3.77Å; I375-F421 HydrophobicContact CD1-CZ 3.4Å; I375-F421 VanDerWaalsContact CD1-CZ 3.4Å; Q392-F421 CarbonylContact O-C 3.57Å; Q392-F421 WeakPolarHBondContact O-CA 3.35Å; M393-F421 HydrophobicContact CB-CE1 4.42Å; M393-F421 HydrophobicContact CG-CE1 4.19Å; M393-F421 HydrophobicContact CG-CZ 4.41Å; M393-F421 HydrophobicContact SD-CE1 3.9Å; M393-F421 HydrophobicContact SD-CZ 3.91Å; A419-F421 HydrophobicContact CB-CE2 4.38Å; F421-L431 PolarHBondContact O-N 2.86Å; F421-Y432 AromaticContact CD2-CD1 3.65Å; F421-Y432 HydrophobicContact CD2-CD1 3.65Å; F421-Y432 HydrophobicContact CD2-CG 4.35Å; F421-Y432 AromaticContact CE2-CD1 3.86Å; F421-Y432 HydrophobicContact CE2-CD1 3.86Å; F421-Y432 HydrophobicContact CE2-CE1 4.49Å; F421-Y432 PolarHBondContact N-O 3.23Å; F421-Y432 PolarHBondContact O-N 2.95Å
422Y91.4Very high88.7Confident31 Ų3145.7 Ų45.712%0.12222%0.224CC..EExtended strand (participates in β ladder)trans-122.2145.2-179.3-77.5-99.5000111L391 Q392 R394 Q420 K429 M430L391-Y422 WeakPolarHBondContact CA-O 3.43Å; L391-Y422 WeakPolarHBondContact CD2-O 2.95Å; Q392-Y422 PolarHBondContact N-O 2.82Å; Q392-Y422 PolarHBondContact O-N 3.05Å; R394-Y422 HydrophobicContact CG-CD2 3.87Å; R394-Y422 HydrophobicContact CG-CE2 3.88Å; R394-Y422 PolarHBondContact NH1-OH 3.05Å; Q420-Y422 HydrophobicContact CB-CD2 4.13Å; Q420-Y422 HydrophobicContact CB-CE2 3.63Å; Q420-Y422 PolarHBondContact OE1-OH 3.16Å; Y422-K429 VanDerWaalsContact CA-O 3.29Å; Y422-K429 WeakPolarHBondContact CA-O 3.46Å; Y422-M430 HydrophobicContact CD1-CB 4.07Å; Y422-M430 HydrophobicContact CE1-CB 3.55Å; Y422-M430 HydrophobicContact CE1-CG 4.28Å; Y422-M430 HydrophobicContact CE2-CB 4.25Å; Y422-M430 HydrophobicContact CE2-CG 4.08Å
423S90.3Very high88.4Confident5 Ų544.2 Ų44.24%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-64.6150.7162.555.30000111.2K427 K429S423-K427 PolarHBondContact OG-O 2.98Å; S423-K429 PolarHBondContact N-O 2.9Å; S423-K429 PolarHBondContact OG-N 2.87Å; S423-K429 PolarHBondContact OG-O 2.83Å
424Q82.1Confident88Confident43 Ų4344.5 Ų44.520%0.20122%0.218CC..PPolyproline II helixtrans-70.2162.2175.1-86-176.1-15.900112.2S355 Y390 Q392S355-Q424 PolarHBondContact OG-NE2 2.76Å; S355-Q424 VanDerWaalsContact OG-NE2 3.16Å; Y390-Q424 VanDerWaalsContact O-CG 3.22Å; Y390-Q424 WeakPolarHBondContact O-CG 3.49Å; Q392-Q424 HydrophobicContact CG-CG 4.08Å
425P75.2Confident87.8Confident74 Ų7444.8 Ų44.848%0.48122%0.22SC..SBendtrans-50.2149.6172.2-24.833.7000112.4R428P425-R428 HydrophobicContact CG-CG 4.46Å
426P76Confident87.7Confident131 Ų13143.7 Ų43.785%0.85121%0.214SC*.SBendcis-88.1-31.713.331.2-34000114.8R428P426-R428 PolarHBondContact O-N 2.79Å
427K78.6Confident87.7Confident182 Ų18250.5 Ų50.579%0.79124%0.238SC*.SBendtrans-92.180.1179.9-69.1-173.9179.7-178.10110.5S423 K429S423-K427 PolarHBondContact OG-O 2.98Å; K427-K429 PolarHBondContact O-N 2.81Å; K427-K429 VanDerWaalsContact O-N 3.1Å
428R83Confident87.7Confident138 Ų13850.1 Ų50.152%0.52124%0.238SC..  trans-65.1107.3172.2-70-178.4175.61681.4109.8P425 P426P425-R428 HydrophobicContact CG-CG 4.46Å; P426-R428 PolarHBondContact O-N 2.79Å
429K88.4Confident87.8Confident134 Ų13452.9 Ų52.958%0.58326%0.255SS*.  trans-119.6132.9176.2-176.3-179.5176.6-175.80108.4Y422 S423 K427 L431Y422-K429 VanDerWaalsContact CA-O 3.29Å; Y422-K429 WeakPolarHBondContact CA-O 3.46Å; S423-K429 PolarHBondContact N-O 2.9Å; S423-K429 PolarHBondContact OG-N 2.87Å; S423-K429 PolarHBondContact OG-O 2.83Å; K427-K429 PolarHBondContact O-N 2.81Å; K427-K429 VanDerWaalsContact O-N 3.1Å; K429-L431 HydrophobicContact CB-CD2 4.45Å; K429-L431 HydrophobicContact CD-CD2 4.25Å; K429-L431 HydrophobicContact CG-CD2 4.29Å; K429-L431 PolarHBondContact O-N 3.32Å
430M90.2Very high88Confident51 Ų5152.8 Ų52.825%0.25125%0.254SS..EExtended strand (participates in β ladder)trans-69.8122169.2-171.8-178.171.800108A15 Q420 Y422 T433A15-M430 HydrophobicContact CB-CE 3.63Å; Q420-M430 HydrophobicContact CG-SD 4.44Å; Y422-M430 HydrophobicContact CD1-CB 4.07Å; Y422-M430 HydrophobicContact CE1-CB 3.55Å; Y422-M430 HydrophobicContact CE1-CG 4.28Å; Y422-M430 HydrophobicContact CE2-CB 4.25Å; Y422-M430 HydrophobicContact CE2-CG 4.08Å; M430-T433 HydrophobicContact CE-CG2 4.36Å; M430-T433 HydrophobicContact SD-CG2 4.48Å
431L90.1Very high88.1Confident11 Ų1159.1 Ų59.16%0.05828%0.278CS..EExtended strand (participates in β ladder)trans-99.1-38.7-177.5-59.3176.6000110.7V382 F383 Q386 L391 F421 K429V382-L431 HydrophobicContact CG1-CB 4.45Å; V382-L431 WeakPolarHBondContact CG1-O 3.1Å; F383-L431 HydrophobicContact CD1-CD1 3.84Å; F383-L431 HydrophobicContact CE1-CB 3.91Å; F383-L431 HydrophobicContact CE1-CD1 3.49Å; F383-L431 VanDerWaalsContact CE1-CD1 3.49Å; F383-L431 HydrophobicContact CE1-CG 4.33Å; F383-L431 HydrophobicContact CZ-CB 4.34Å; Q386-L431 HydrophobicContact CG-CD1 4.49Å; L391-L431 HydrophobicContact CD2-CD1 3.77Å; F421-L431 PolarHBondContact O-N 2.86Å; K429-L431 HydrophobicContact CB-CD2 4.45Å; K429-L431 HydrophobicContact CD-CD2 4.25Å; K429-L431 HydrophobicContact CG-CD2 4.29Å; K429-L431 PolarHBondContact O-N 3.32Å
432Y87.6Confident88.2Confident19 Ų1960.9 Ų60.98%0.07529%0.287CS..EExtended strand (participates in β ladder)trans-151.9149.8-174.4-170-116.8000111.5I375 L379 V382 Q420 F421 H434 F473 I476I375-Y432 HydrophobicContact CD1-CD1 4.47Å; L379-Y432 HydrophobicContact CD1-CD1 3.78Å; L379-Y432 HydrophobicContact CD1-CD2 4.02Å; L379-Y432 HydrophobicContact CD1-CE1 3.49Å; L379-Y432 VanDerWaalsContact CD1-CE1 3.49Å; L379-Y432 HydrophobicContact CD1-CE2 3.74Å; L379-Y432 HydrophobicContact CD1-CG 4Å; L379-Y432 VanDerWaalsContact CD1-CZ 3.41Å; V382-Y432 HydrophobicContact CG1-CD2 4.39Å; V382-Y432 HydrophobicContact CG2-CD2 4.17Å; Q420-Y432 CarbonylContact C-O 3.53Å; Q420-Y432 WeakPolarHBondContact CA-O 3.3Å; F421-Y432 AromaticContact CD2-CD1 3.65Å; F421-Y432 HydrophobicContact CD2-CD1 3.65Å; F421-Y432 HydrophobicContact CD2-CG 4.35Å; F421-Y432 AromaticContact CE2-CD1 3.86Å; F421-Y432 HydrophobicContact CE2-CD1 3.86Å; F421-Y432 HydrophobicContact CE2-CE1 4.49Å; F421-Y432 PolarHBondContact N-O 3.23Å; F421-Y432 PolarHBondContact O-N 2.95Å; Y432-H434 HydrophobicContact CE1-CB 4.49Å; Y432-H434 AromaticContact CE1-CD2 3.32Å; Y432-H434 WeakPolarHBondContact CE1-CD2 3.4Å; Y432-H434 AromaticContact CE2-CD2 3.52Å; Y432-H434 AromaticContact CE2-NE2 3.61Å; Y432-H434 AromaticContact CZ-CD2 2.98Å; Y432-H434 AromaticContact CZ-NE2 3.3Å; Y432-H434 VanDerWaalsContact CZ-NE2 3.3Å; Y432-H434 PolarHBondContact OH-CD2 3.31Å; Y432-H434 PolarHBondContact OH-NE2 2.89Å; Y432-F473 WeakPolarHBondContact OH-CE1 3.35Å; Y432-I476 HydrophobicContact CE1-CD1 3.97Å
433T88.2Confident88.2Confident7 Ų763.4 Ų63.44%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-148134178.1-178.30000110.6H14 A15 A419 M430H14-T433 HydrophobicContact CB-CG2 4.49Å; A15-T433 HydrophobicContact CB-CG2 4.29Å; A419-T433 WeakPolarHBondContact O-CA 3.47Å; M430-T433 HydrophobicContact CE-CG2 4.36Å; M430-T433 HydrophobicContact SD-CG2 4.48Å
434H87.7Confident88.1Confident23 Ų2364.8 Ų64.811%0.10631%0.306CS..EExtended strand (participates in β ladder)trans-142.2151.5172.1-95.8-96000111.7T418 A419 Y432 V462 F473T418-H434 CarbonylContact C-O 3.56Å; T418-H434 WeakPolarHBondContact CA-O 3.46Å; A419-H434 PolarHBondContact N-O 2.83Å; A419-H434 PolarHBondContact O-N 3.1Å; Y432-H434 HydrophobicContact CE1-CB 4.49Å; Y432-H434 AromaticContact CE1-CD2 3.32Å; Y432-H434 WeakPolarHBondContact CE1-CD2 3.4Å; Y432-H434 AromaticContact CE2-CD2 3.52Å; Y432-H434 AromaticContact CE2-NE2 3.61Å; Y432-H434 AromaticContact CZ-CD2 2.98Å; Y432-H434 AromaticContact CZ-NE2 3.3Å; Y432-H434 VanDerWaalsContact CZ-NE2 3.3Å; Y432-H434 PolarHBondContact OH-CD2 3.31Å; Y432-H434 PolarHBondContact OH-NE2 2.89Å; H434-V462 HydrophobicContact CB-CG1 4.41Å; H434-V462 WeakPolarHBondContact ND1-CG1 3.49Å; H434-F473 AromaticContact CE1-CE1 3.51Å; H434-F473 AromaticContact NE2-CE1 3.85Å
435N91.1Very high88.4Confident38 Ų3870 Ų7020%0.20332%0.324CS..EExtended strand (participates in β ladder)trans-93137.3170.3-69.2-24.3000109.3Y398 L417 T418 Q463Y398-N435 HydrophobicContact CD1-CB 4.38Å; Y398-N435 HydrophobicContact CE1-CB 3.93Å; L417-N435 CarbonylContact O-C 3.55Å; L417-N435 WeakPolarHBondContact O-CA 3.31Å; T418-N435 PolarHBondContact OG1-OD1 3.2Å; N435-Q463 HydrophobicContact CB-CB 4.08Å; N435-Q463 HydrophobicContact CB-CG 4.47Å; N435-Q463 PolarHBondContact O-N 3.42Å
436L91.1Very high88.9Confident0 Ų068.7 Ų68.70%032%0.316CS..EExtended strand (participates in β ladder)trans-123.8138.4-179.9-54.9173000108.2A416 L417 A419 M460 E461 V462 T480A416-L436 CarbonylContact C-O 3.57Å; A416-L436 WeakPolarHBondContact CA-O 3.24Å; L417-L436 PolarHBondContact N-O 2.96Å; L417-L436 PolarHBondContact O-N 3.47Å; L417-L436 VanDerWaalsContact O-O 3.09Å; A419-L436 HydrophobicContact CB-CD1 4Å; L436-M460 HydrophobicContact CB-CE 3.29Å; L436-M460 HydrophobicContact CD1-CE 4.3Å; L436-M460 HydrophobicContact CG-CE 4.44Å; L436-E461 CarbonylContact C-O 3.57Å; L436-E461 WeakPolarHBondContact CA-O 3.28Å; L436-V462 HydrophobicContact CD2-CB 4.32Å; L436-V462 HydrophobicContact CD2-CG2 3.62Å; L436-T480 HydrophobicContact CD1-CG2 3.58Å
437R92.6Very high89.2Confident149 Ų14969 Ų6956%0.56230%0.304SS*.EExtended strand (participates in β ladder)trans-130.2132.5172-170.4177.7-175.2174.8-0.2108.9L415 E461 Q463L415-R437 CarbonylContact O-C 3.51Å; L415-R437 WeakPolarHBondContact O-CA 3.39Å; R437-E461 PolarHBondContact N-O 3.31Å; R437-E461 PolarHBondContact O-N 2.86Å; R437-Q463 HydrophobicContact CB-CG 4.02Å
438G93.2Very high89.2Confident6 Ų667.6 Ų67.66%0.06230%0.302CS..EExtended strand (participates in β ladder)trans-152.8166.1179.900000112.7L415 N459L415-G438 PolarHBondContact N-O 2.89Å; L415-G438 PolarHBondContact O-N 2.97Å; G438-N459 WeakPolarHBondContact CA-O 3.29Å
439T94.4Very high88.9Confident57 Ų5763.9 Ų63.935%0.3529%0.293SS..EExtended strand (participates in β ladder)trans-126.6131.7175.4-65.50000107.7Q412 V413 D414 N459Q412-T439 HydrophobicContact CG-CG2 3.34Å; V413-T439 WeakPolarHBondContact O-CA 3.4Å; D414-T439 WeakPolarHBondContact OD1-CG2 3.45Å; D414-T439 PolarHBondContact OD1-OG1 2.93Å; T439-N459 PolarHBondContact N-O 3.48Å; T439-N459 PolarHBondContact O-N 3.14Å
440G94.2Very high88.7Confident0 Ų062.7 Ų62.70%029%0.285CS..EExtended strand (participates in β ladder)trans-121.9168.1172.500000111.4V413V413-G440 PolarHBondContact N-O 3.46Å; V413-G440 PolarHBondContact O-N 3.04Å
441R94.9Very high88.5Confident141 Ų14162.3 Ų62.353%0.53228%0.283SS..EExtended strand (participates in β ladder)trans-117.3138.3176.5-68.9-171.4176.8128.81110.5I411 F455 T456I411-R441 CarbonylContact O-C 3.56Å; I411-R441 WeakPolarHBondContact O-CA 3.22Å; R441-F455 CarbonylContact O-C 3.6Å; R441-F455 WeakPolarHBondContact O-CA 3.04Å; R441-F455 WeakPolarHBondContact O-CD2 3.44Å; R441-T456 PolarHBondContact N-O 3.3Å; R441-T456 PolarHBondContact O-N 3.33Å; R441-T456 VanDerWaalsContact O-O 3.12Å
442M92.5Very high88.6Confident39 Ų3963 Ų6319%0.19229%0.288CS..EExtended strand (participates in β ladder)trans-117.4129174.6-173.1173.666.200110I411 V413 I444 K454 F455 L492I411-M442 HydrophobicContact CB-CB 4.11Å; I411-M442 HydrophobicContact CB-CE 4.3Å; I411-M442 WeakPolarHBondContact CB-O 2.99Å; I411-M442 HydrophobicContact CD1-CE 3.61Å; I411-M442 HydrophobicContact CG2-CB 4.41Å; I411-M442 HydrophobicContact CG2-CE 3.91Å; I411-M442 PolarHBondContact N-O 3.12Å; I411-M442 PolarHBondContact O-N 2.89Å; V413-M442 HydrophobicContact CG2-CB 4.38Å; M442-I444 HydrophobicContact CE-CG2 4.32Å; M442-I444 HydrophobicContact CG-CG2 4.48Å; M442-K454 CarbonylContact C-O 3.59Å; M442-K454 WeakPolarHBondContact CA-O 3.3Å; M442-F455 HydrophobicContact CB-CD2 4.04Å; M442-L492 HydrophobicContact CG-CD1 4.23Å; M442-L492 HydrophobicContact SD-CD1 4.12Å
443E90.6Very high88.7Confident83 Ų8362.5 Ų62.539%0.38829%0.289SS..EExtended strand (participates in β ladder)trans-102.9141.1166.8-66.4-176.3-168.800109.1R445 G453 K454E443-R445 IonicContact OE2-CZ 3.61Å; E443-R445 IonicContact OE2-NE 3.72Å; E443-R445 IonicContact OE2-NH2 2.86Å; E443-R445 PolarHBondContact OE2-NH2 3.32Å; E443-G453 CarbonylContact O-C 3.59Å; E443-G453 WeakPolarHBondContact O-CA 3.04Å; E443-K454 PolarHBondContact N-O 2.6Å; E443-K454 PolarHBondContact O-N 2.98Å
444I89.6Confident89Confident34 Ų3467.1 Ų67.117%0.17431%0.308CS..EExtended strand (participates in β ladder)trans-122.3137.6175.547.7162.9000108.7I411 M442 T452 M511 T513 I518I411-I444 HydrophobicContact CD1-CD1 3.98Å; I411-I444 HydrophobicContact CD1-CG1 3.97Å; I411-I444 HydrophobicContact CD1-CG2 4.12Å; M442-I444 HydrophobicContact CE-CG2 4.32Å; M442-I444 HydrophobicContact CG-CG2 4.48Å; I444-T452 CarbonylContact C-O 3.57Å; I444-T452 WeakPolarHBondContact CA-O 3.43Å; I444-M511 HydrophobicContact CB-CE 4.06Å; I444-M511 HydrophobicContact CD1-CE 3.44Å; I444-M511 VanDerWaalsContact CD1-CE 3.44Å; I444-M511 HydrophobicContact CG1-CE 4.15Å; I444-T513 HydrophobicContact CD1-CG2 4.33Å; I444-T513 HydrophobicContact CG1-CG2 4.45Å; I444-I518 HydrophobicContact CD1-CB 4.28Å; I444-I518 HydrophobicContact CD1-CD1 3.71Å; I444-I518 HydrophobicContact CD1-CG1 3.88Å; I444-I518 HydrophobicContact CD1-CG2 3.39Å
445R88.2Confident89.2Confident154 Ų15466.4 Ų66.458%0.58131%0.305SS*.EExtended strand (participates in β ladder)trans-139.9143.3-176.7-60.1-175.4-173.3-164.31.1110.4E443 T452E443-R445 IonicContact OE2-CZ 3.61Å; E443-R445 IonicContact OE2-NE 3.72Å; E443-R445 IonicContact OE2-NH2 2.86Å; E443-R445 PolarHBondContact OE2-NH2 3.32Å; R445-T452 PolarHBondContact N-O 3.02Å; R445-T452 PolarHBondContact O-N 3.28Å; R445-T452 VanDerWaalsContact O-O 3.09Å; R445-T452 PolarHBondContact O-OG1 3.15Å
446S84.8Confident89.3Confident46 Ų4666 Ų6632%0.32230%0.304SS..EExtended strand (participates in β ladder)trans-85.3128.1170.2172.20000109.8L509S446-L509 WeakPolarHBondContact CB-O 3.39Å; S446-L509 WeakPolarHBondContact OG-CB 3.44Å; S446-L509 VanDerWaalsContact OG-CD2 3.3Å; S446-L509 WeakPolarHBondContact OG-CD2 3.42Å; S446-L509 WeakPolarHBondContact OG-CG 3.35Å; S446-L509 PolarHBondContact OG-O 3.44Å
447K81.4Confident89.1Confident138 Ų13869.5 Ų69.560%0.633%0.328SS*.EExtended strand (participates in β ladder)trans-128103.7167.8-172.2176.7-177.41770108.6D449 R450 T452K447-D449 PolarHBondContact O-N 3.49Å; K447-R450 PolarHBondContact N-O 3.05Å; K447-R450 PolarHBondContact O-N 3.23Å; K447-T452 HydrophobicContact CB-CG2 4.27Å
448M79.4Confident89Confident152 Ų15263 Ų6375%0.74930%0.304SS*.THydrogen-bonded Turntrans57.2-112.6-176.6-54.6177.5-70.200111.9
449D77.1Confident88.9Confident60 Ų6067.2 Ų67.232%0.32133%0.326SS..THydrogen-bonded Turntrans-100.311.8178.673.3-23.3000113.3K447 R497 I498K447-D449 PolarHBondContact O-N 3.49Å; D449-R497 IonicContact OD2-CZ 3.72Å; D449-R497 IonicContact OD2-NE 3.77Å; D449-R497 PolarHBondContact OD2-NE 3.26Å; D449-R497 IonicContact OD2-NH2 3.78Å; D449-R497 PolarHBondContact OD2-NH2 2.72Å; D449-I498 PolarHBondContact O-N 3.31Å
450R84.3Confident88.7Confident108 Ų10864.5 Ų64.541%0.40831%0.309SS..EExtended strand (participates in β ladder)trans-116.6139.8-179.2-60.9-170178.6-166.25.2112.4K447 T494 F496K447-R450 PolarHBondContact N-O 3.05Å; K447-R450 PolarHBondContact O-N 3.23Å; R450-T494 PolarHBondContact NH1-O 2.75Å; R450-F496 CarbonylContact C-O 3.55Å; R450-F496 VanDerWaalsContact CA-O 3.28Å; R450-F496 WeakPolarHBondContact CA-O 3.29Å
451I86.6Confident88.4Confident43 Ų4368.1 Ų68.122%0.22133%0.326CS..EExtended strand (participates in β ladder)trans-89.2117.9164.4-56.1179000107.2G495 F496 I498 L509 M511I451-G495 CarbonylContact O-C 3.55Å; I451-G495 WeakPolarHBondContact O-CA 3.29Å; I451-F496 PolarHBondContact N-O 3.06Å; I451-F496 PolarHBondContact O-N 3.36Å; I451-I498 HydrophobicContact CD1-CD1 4.01Å; I451-I498 HydrophobicContact CD1-CG1 3.95Å; I451-I498 HydrophobicContact CG1-CD1 4.04Å; I451-I498 HydrophobicContact CG1-CG1 3.93Å; I451-L509 HydrophobicContact CG1-CD2 4.07Å; I451-M511 HydrophobicContact CB-SD 4.28Å; I451-M511 HydrophobicContact CD1-CE 4.43Å; I451-M511 HydrophobicContact CD1-SD 3.94Å; I451-M511 HydrophobicContact CG1-SD 3.71Å; I451-M511 HydrophobicContact CG2-CE 3.78Å; I451-M511 HydrophobicContact CG2-SD 3.81Å
452T91.1Very high88Confident26 Ų2662.4 Ų62.416%0.1631%0.307CS..EExtended strand (participates in β ladder)trans-111.6168.3174.959.10000109.5I444 R445 K447 L492I444-T452 CarbonylContact C-O 3.57Å; I444-T452 WeakPolarHBondContact CA-O 3.43Å; R445-T452 PolarHBondContact N-O 3.02Å; R445-T452 PolarHBondContact O-N 3.28Å; R445-T452 VanDerWaalsContact O-O 3.09Å; R445-T452 PolarHBondContact O-OG1 3.15Å; K447-T452 HydrophobicContact CB-CG2 4.27Å; T452-L492 CarbonylContact C-O 3.57Å; T452-L492 VanDerWaalsContact CA-O 3.26Å; T452-L492 WeakPolarHBondContact CA-O 3.34Å
453G90.6Very high87.5Confident9 Ų964.7 Ų64.79%0.09332%0.317CS..EExtended strand (participates in β ladder)trans-159.3177.2172.700000112.6E443 L492E443-G453 CarbonylContact O-C 3.59Å; E443-G453 WeakPolarHBondContact O-CA 3.04Å; G453-L492 PolarHBondContact N-O 2.9Å; G453-L492 CarbonylContact O-C 3.51Å; G453-L492 WeakPolarHBondContact O-CB 3.33Å
454K92.9Very high86.7Confident103 Ų10362.7 Ų62.745%0.44831%0.311SS..EExtended strand (participates in β ladder)trans-141.2135.2174.1-163-176.1-178.7179.70108.6M442 E443 T456M442-K454 CarbonylContact C-O 3.59Å; M442-K454 WeakPolarHBondContact CA-O 3.3Å; E443-K454 PolarHBondContact N-O 2.6Å; E443-K454 PolarHBondContact O-N 2.98Å; K454-T456 HydrophobicContact CD-CG2 3.71Å; K454-T456 HydrophobicContact CG-CG2 3.78Å
455F92.6Very high85.7Confident8 Ų870.4 Ų70.44%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-111124.1173.9-173-119.8000108.6V413 R441 M442 L458 I484 E485 V488 N489 L492V413-F455 HydrophobicContact CB-CE2 3.94Å; V413-F455 HydrophobicContact CB-CZ 4.39Å; V413-F455 HydrophobicContact CG2-CD2 4.49Å; V413-F455 HydrophobicContact CG2-CE2 3.81Å; R441-F455 CarbonylContact O-C 3.6Å; R441-F455 WeakPolarHBondContact O-CA 3.04Å; R441-F455 WeakPolarHBondContact O-CD2 3.44Å; M442-F455 HydrophobicContact CB-CD2 4.04Å; F455-L458 HydrophobicContact CE1-CB 3.9Å; F455-L458 HydrophobicContact CE1-CD1 4.32Å; F455-L458 HydrophobicContact CE1-CD2 3.96Å; F455-L458 HydrophobicContact CE1-CG 4.26Å; F455-L458 HydrophobicContact CZ-CB 4.2Å; F455-L458 HydrophobicContact CZ-CD1 4.14Å; F455-I484 HydrophobicContact CE1-CG2 4.4Å; F455-E485 HydrophobicContact CD1-CG 4.12Å; F455-E485 HydrophobicContact CE1-CG 4.39Å; F455-V488 HydrophobicContact CB-CB 4.33Å; F455-V488 HydrophobicContact CB-CG1 3.59Å; F455-V488 HydrophobicContact CD1-CB 4.17Å; F455-V488 HydrophobicContact CD1-CG1 4.05Å; F455-V488 HydrophobicContact CD1-CG2 4.42Å; F455-V488 HydrophobicContact CG-CG1 3.97Å; F455-N489 PolarHBondContact N-OD1 3.12Å; F455-N489 PolarHBondContact O-ND2 3.33Å; F455-N489 PolarHBondContact O-OD1 3.47Å; F455-L492 HydrophobicContact CB-CD1 3.95Å
456T92.7Very high84.6Confident31 Ų3169.2 Ų69.219%0.1934%0.342CS..EExtended strand (participates in β ladder)trans-142.8166.9-171.558.60000110.9R441 K454 L458 E485R441-T456 PolarHBondContact N-O 3.3Å; R441-T456 PolarHBondContact O-N 3.33Å; R441-T456 VanDerWaalsContact O-O 3.12Å; K454-T456 HydrophobicContact CD-CG2 3.71Å; K454-T456 HydrophobicContact CG-CG2 3.78Å; T456-L458 PolarHBondContact O-N 3.16Å; T456-E485 VanDerWaalsContact C-OE1 3.25Å; T456-E485 WeakPolarHBondContact CA-OE1 3.28Å
457S88.3Confident83.3Confident73 Ų7377 Ų7751%0.5137%0.37SS..EExtended strand (participates in β ladder)trans60.727172.2-45.40000112.7N459 E485S457-N459 PolarHBondContact O-N 3.31Å; S457-N459 VanDerWaalsContact O-N 3.11Å; S457-E485 PolarHBondContact N-OE1 2.77Å
458L90.6Very high82.2Confident11 Ų1177.3 Ų77.36%0.05838%0.378CS..EExtended strand (participates in β ladder)trans-69.5104.8169.6178.363.3000107.9L415 F455 T456 M460 S481 I484 E485L415-L458 HydrophobicContact CD1-CD1 3.99Å; F455-L458 HydrophobicContact CE1-CB 3.9Å; F455-L458 HydrophobicContact CE1-CD1 4.32Å; F455-L458 HydrophobicContact CE1-CD2 3.96Å; F455-L458 HydrophobicContact CE1-CG 4.26Å; F455-L458 HydrophobicContact CZ-CB 4.2Å; F455-L458 HydrophobicContact CZ-CD1 4.14Å; T456-L458 PolarHBondContact O-N 3.16Å; L458-M460 HydrophobicContact CD1-CG 4.18Å; L458-M460 HydrophobicContact CD1-SD 3.71Å; L458-M460 HydrophobicContact CD2-CG 4.23Å; L458-M460 HydrophobicContact CD2-SD 4.4Å; L458-M460 HydrophobicContact CG-CG 4.04Å; L458-M460 HydrophobicContact CG-SD 4.22Å; L458-S481 WeakPolarHBondContact O-CB 3.14Å; L458-S481 PolarHBondContact O-OG 2.88Å; L458-I484 HydrophobicContact CD2-CB 3.74Å; L458-I484 HydrophobicContact CD2-CD1 4.17Å; L458-I484 HydrophobicContact CD2-CG2 3.67Å; L458-E485 HydrophobicContact CB-CG 3.69Å; L458-E485 VanDerWaalsContact CB-OE1 3.27Å; L458-E485 WeakPolarHBondContact CB-OE1 3.39Å; L458-E485 HydrophobicContact CD2-CG 4.26Å; L458-E485 PolarHBondContact N-OE1 2.61Å
459N89.4Confident81.2Confident95 Ų9577.2 Ų77.251%0.50837%0.37SS..EExtended strand (participates in β ladder)trans-107.2104.7171.7-175.119.7000109G438 T439 S457G438-N459 WeakPolarHBondContact CA-O 3.29Å; T439-N459 PolarHBondContact N-O 3.48Å; T439-N459 PolarHBondContact O-N 3.14Å; S457-N459 PolarHBondContact O-N 3.31Å; S457-N459 VanDerWaalsContact O-N 3.11Å
460M90Very high80.8Confident1 Ų176.6 Ų76.61%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-88.9138.2174.5-61.7-67-65.400110L415 L417 L436 L458 S477 S481L415-M460 HydrophobicContact CB-SD 4.37Å; L417-M460 HydrophobicContact CB-CE 4.17Å; L417-M460 HydrophobicContact CD1-CE 3.81Å; L417-M460 HydrophobicContact CG-CE 4.02Å; L436-M460 HydrophobicContact CB-CE 3.29Å; L436-M460 HydrophobicContact CD1-CE 4.3Å; L436-M460 HydrophobicContact CG-CE 4.44Å; L458-M460 HydrophobicContact CD1-CG 4.18Å; L458-M460 HydrophobicContact CD1-SD 3.71Å; L458-M460 HydrophobicContact CD2-CG 4.23Å; L458-M460 HydrophobicContact CD2-SD 4.4Å; L458-M460 HydrophobicContact CG-CG 4.04Å; L458-M460 HydrophobicContact CG-SD 4.22Å; M460-S477 WeakPolarHBondContact O-CB 3.35Å; M460-S477 PolarHBondContact O-OG 3.26Å; M460-S481 WeakPolarHBondContact CB-OG 3.11Å; M460-S481 WeakPolarHBondContact CG-OG 3.31Å; M460-S481 PolarHBondContact N-OG 3.01Å
461E88.5Confident80.3Confident75 Ų7579.8 Ų79.835%0.3539%0.389SS..EExtended strand (participates in β ladder)trans-121.9134.4174.8-62.2-167.5136.500110.7L436 R437 Q463 R469L436-E461 CarbonylContact C-O 3.57Å; L436-E461 WeakPolarHBondContact CA-O 3.28Å; R437-E461 PolarHBondContact N-O 3.31Å; R437-E461 PolarHBondContact O-N 2.86Å; E461-Q463 PolarHBondContact O-N 2.84Å; E461-R469 IonicContact OE1-CZ 3.86Å; E461-R469 IonicContact OE1-NH1 3.47Å; E461-R469 IonicContact OE1-NH2 3.66Å; E461-R469 PolarHBondContact OE1-NH2 2.78Å; E461-R469 IonicContact OE2-NH2 3.4Å
462V86.5Confident79.9Confident22 Ų2278.9 Ų78.913%0.13339%0.386CS..EExtended strand (participates in β ladder)trans-66.3124.8173.5-178.10000110.2H434 L436 T464 F473H434-V462 HydrophobicContact CB-CG1 4.41Å; H434-V462 WeakPolarHBondContact ND1-CG1 3.49Å; L436-V462 HydrophobicContact CD2-CB 4.32Å; L436-V462 HydrophobicContact CD2-CG2 3.62Å; V462-T464 PolarHBondContact O-N 3.19Å; V462-F473 HydrophobicContact CB-CB 4.18Å; V462-F473 HydrophobicContact CB-CD1 4.27Å; V462-F473 HydrophobicContact CB-CG 4.33Å; V462-F473 HydrophobicContact CG1-CD1 3.87Å; V462-F473 HydrophobicContact CG1-CE1 4.23Å; V462-F473 HydrophobicContact CG1-CG 4.3Å; V462-F473 HydrophobicContact CG2-CB 3.79Å; V462-F473 HydrophobicContact CG2-CD1 4.01Å; V462-F473 HydrophobicContact CG2-CG 4.21Å
463Q81.4Confident79.5Confident87 Ų8778.9 Ų78.941%0.40738%0.384SS..  trans-82.495.3173.8-61.4-67.7-6200108.9N435 R437 E461N435-Q463 HydrophobicContact CB-CB 4.08Å; N435-Q463 HydrophobicContact CB-CG 4.47Å; N435-Q463 PolarHBondContact O-N 3.42Å; R437-Q463 HydrophobicContact CB-CG 4.02Å; E461-Q463 PolarHBondContact O-N 2.84Å
464T75.7Confident79.1Confident41 Ų4181.9 Ų81.925%0.25240%0.398SS..  trans-125.2147.1178.2177.90000111.1V462 F466V462-T464 PolarHBondContact O-N 3.19Å; T464-F466 VanDerWaalsContact C-N 3.31Å; T464-F466 WeakPolarHBondContact CG2-O 3.29Å; T464-F466 WeakPolarHBondContact OG1-CD2 3.26Å; T464-F466 PolarHBondContact OG1-N 2.91Å; T464-F466 VanDerWaalsContact OG1-N 3.08Å
465K67.6Low78.5Confident196 Ų19679.6 Ų79.685%0.85239%0.39SS*.SBendtrans-79.6-16.8170.5-67.7-176.7-179.6177.20112.2
466F65.7Low78Confident129 Ų12979.2 Ų79.257%0.56639%0.388SS*.  trans-81.5123.5-179.4-60.6-75.6000109.6T464 D468T464-F466 VanDerWaalsContact C-N 3.31Å; T464-F466 WeakPolarHBondContact CG2-O 3.29Å; T464-F466 WeakPolarHBondContact OG1-CD2 3.26Å; T464-F466 PolarHBondContact OG1-N 2.91Å; T464-F466 VanDerWaalsContact OG1-N 3.08Å; F466-D468 VanDerWaalsContact C-N 3.28Å; F466-D468 PolarHBondContact O-N 2.99Å
467K56.5Low77.7Confident209 Ų20978 Ų7891%0.90938%0.381SS*.SBendtrans-68.3-25.5-178.9-79.6-173176.4-177.80113.3R469K467-R469 PolarHBondContact O-N 2.86Å
468D59.4Low77.5Confident144 Ų14479 Ų7977%0.7738%0.381SS*.  trans-70.996.9173.8-104.1-20.5000109.5F466 S470F466-D468 VanDerWaalsContact C-N 3.28Å; F466-D468 PolarHBondContact O-N 2.99Å; D468-S470 VanDerWaalsContact C-N 3.28Å; D468-S470 PolarHBondContact O-N 2.76Å
469R58Low77.1Confident151 Ų15179 Ų7957%0.5738%0.38SS*.  trans-65.794.7161.5-73.7-171.8177.3-164.6-4106.3E461 K467E461-R469 IonicContact OE1-CZ 3.86Å; E461-R469 IonicContact OE1-NH1 3.47Å; E461-R469 IonicContact OE1-NH2 3.66Å; E461-R469 PolarHBondContact OE1-NH2 2.78Å; E461-R469 IonicContact OE2-NH2 3.4Å; K467-R469 PolarHBondContact O-N 2.86Å
470S68.9Low76.7Confident46 Ų4674.4 Ų74.432%0.32236%0.356SS..  trans-64.1142.4168.563.20000109D468 V472 F473D468-S470 VanDerWaalsContact C-N 3.28Å; D468-S470 PolarHBondContact O-N 2.76Å; S470-V472 PolarHBondContact O-N 3.39Å; S470-F473 WeakPolarHBondContact O-CB 3.3Å; S470-F473 PolarHBondContact O-N 2.77Å; S470-F473 WeakPolarHBondContact OG-CD2 3.36Å; S470-F473 WeakPolarHBondContact OG-CE2 3.29Å
471E74.3Confident76.6Confident175 Ų17574.7 Ų74.782%0.81836%0.358SS*.Hα-helixtrans-49.2-26.7171.8-64.4174.5174.200112.1L475E471-L475 WeakPolarHBondContact O-CB 3.39Å; E471-L475 PolarHBondContact O-N 3.31Å
472V77.4Confident76.4Confident24 Ų2473 Ų7315%0.14535%0.354CS..Hα-helixtrans-62.7-40174.9178.30000112.6L378 L379 S470 I476L378-V472 HydrophobicContact CB-CG1 3.86Å; L378-V472 HydrophobicContact CB-CG2 4.14Å; L378-V472 HydrophobicContact CD2-CG2 4.41Å; L378-V472 WeakPolarHBondContact O-CG2 3.37Å; L379-V472 HydrophobicContact CD2-CG1 3.65Å; L379-V472 HydrophobicContact CG-CG1 3.85Å; S470-V472 PolarHBondContact O-N 3.39Å; V472-I476 HydrophobicContact CG1-CD1 3.94Å; V472-I476 WeakPolarHBondContact O-CD1 3.2Å; V472-I476 VanDerWaalsContact O-CG1 3.25Å; V472-I476 WeakPolarHBondContact O-CG1 3.45Å; V472-I476 PolarHBondContact O-N 2.9Å
473F82.6Confident76.2Confident27 Ų2772.5 Ų72.512%0.11835%0.353CS..Hα-helixtrans-69.5-41.4179.4-69-46.4000111.9Y432 H434 V462 S470 L475 I476 S477Y432-F473 WeakPolarHBondContact OH-CE1 3.35Å; H434-F473 AromaticContact CE1-CE1 3.51Å; H434-F473 AromaticContact NE2-CE1 3.85Å; V462-F473 HydrophobicContact CB-CB 4.18Å; V462-F473 HydrophobicContact CB-CD1 4.27Å; V462-F473 HydrophobicContact CB-CG 4.33Å; V462-F473 HydrophobicContact CG1-CD1 3.87Å; V462-F473 HydrophobicContact CG1-CE1 4.23Å; V462-F473 HydrophobicContact CG1-CG 4.3Å; V462-F473 HydrophobicContact CG2-CB 3.79Å; V462-F473 HydrophobicContact CG2-CD1 4.01Å; V462-F473 HydrophobicContact CG2-CG 4.21Å; S470-F473 WeakPolarHBondContact O-CB 3.3Å; S470-F473 PolarHBondContact O-N 2.77Å; S470-F473 WeakPolarHBondContact OG-CD2 3.36Å; S470-F473 WeakPolarHBondContact OG-CE2 3.29Å; F473-L475 VanDerWaalsContact C-N 3.33Å; F473-I476 PolarHBondContact O-N 2.9Å; F473-S477 WeakPolarHBondContact O-CB 3.36Å; F473-S477 PolarHBondContact O-N 3.39Å
474D82.7Confident76.3Confident72 Ų7269.4 Ų69.439%0.38534%0.339SS..Hα-helixtrans-62.9-43.3176.8-65.7-22000109.9I476 S477 D478D474-I476 PolarHBondContact O-N 2.86Å; D474-S477 VanDerWaalsContact O-CB 3.28Å; D474-S477 WeakPolarHBondContact O-CB 3.09Å; D474-S477 PolarHBondContact O-N 3.09Å; D474-S477 VanDerWaalsContact O-N 3.16Å; D474-D478 PolarHBondContact O-N 2.85Å
475L80.2Confident76.9Confident54 Ų5469.6 Ų69.628%0.28334%0.337SS..Hα-helixtrans-64.5-39.7176.5-172.654.7000113.5L378 E471 F473 S477 I479L378-L475 HydrophobicContact CD1-CD2 3.35Å; L378-L475 HydrophobicContact CD1-CG 4.02Å; L378-L475 HydrophobicContact CD2-CD2 3.65Å; L378-L475 HydrophobicContact CG-CD2 4.11Å; E471-L475 WeakPolarHBondContact O-CB 3.39Å; E471-L475 PolarHBondContact O-N 3.31Å; F473-L475 VanDerWaalsContact C-N 3.33Å; L475-S477 VanDerWaalsContact C-N 3.3Å; L475-S477 PolarHBondContact O-N 2.89Å; L475-I479 HydrophobicContact CD1-CD1 3.64Å; L475-I479 HydrophobicContact CD1-CG1 4.05Å; L475-I479 HydrophobicContact CG-CD1 3.8Å; L475-I479 WeakPolarHBondContact O-CB 3.31Å; L475-I479 VanDerWaalsContact O-CG1 3.27Å; L475-I479 WeakPolarHBondContact O-CG1 2.82Å; L475-I479 PolarHBondContact O-N 2.81Å
476I81Confident77.7Confident1 Ų164.1 Ų64.11%0.00532%0.323CS..Hα-helixtrans-61.2-43.5173.4-71.2161.1000110.3F364 L379 Y432 V472 F473 D474 T480F364-I476 HydrophobicContact CZ-CG1 4Å; L379-I476 HydrophobicContact CD1-CD1 4.36Å; Y432-I476 HydrophobicContact CE1-CD1 3.97Å; V472-I476 HydrophobicContact CG1-CD1 3.94Å; V472-I476 WeakPolarHBondContact O-CD1 3.2Å; V472-I476 VanDerWaalsContact O-CG1 3.25Å; V472-I476 WeakPolarHBondContact O-CG1 3.45Å; V472-I476 PolarHBondContact O-N 2.9Å; F473-I476 PolarHBondContact O-N 2.9Å; D474-I476 PolarHBondContact O-N 2.86Å; I476-T480 VanDerWaalsContact O-CB 3.28Å; I476-T480 WeakPolarHBondContact O-CB 3.37Å; I476-T480 PolarHBondContact O-N 2.86Å; I476-T480 PolarHBondContact O-OG1 3Å
477S86.3Confident78.4Confident4 Ų459.6 Ų59.63%0.02830%0.303CS..Hα-helixtrans-62.1-48.2178.5-96.10000112.1M460 F473 D474 L475 T480 S481M460-S477 WeakPolarHBondContact O-CB 3.35Å; M460-S477 PolarHBondContact O-OG 3.26Å; F473-S477 WeakPolarHBondContact O-CB 3.36Å; F473-S477 PolarHBondContact O-N 3.39Å; D474-S477 VanDerWaalsContact O-CB 3.28Å; D474-S477 WeakPolarHBondContact O-CB 3.09Å; D474-S477 PolarHBondContact O-N 3.09Å; D474-S477 VanDerWaalsContact O-N 3.16Å; L475-S477 VanDerWaalsContact C-N 3.3Å; L475-S477 PolarHBondContact O-N 2.89Å; S477-T480 PolarHBondContact O-N 2.62Å; S477-S481 WeakPolarHBondContact O-CB 3.36Å; S477-S481 PolarHBondContact O-N 2.05Å; S477-S481 PolarHBondContact O-OG 3.3Å
478D85Confident79.8Confident95 Ų9552 Ų5251%0.50827%0.274SS..Hα-helixtrans-63.2-47.6179.8-72.1-15.2000111.4D474 T480 S481 S482D474-D478 PolarHBondContact O-N 2.85Å; D478-T480 PolarHBondContact O-N 2.93Å; D478-S481 PolarHBondContact O-N 3.38Å; D478-S482 WeakPolarHBondContact O-CB 3.35Å; D478-S482 PolarHBondContact O-N 2.74Å
479I81.1Confident81.3Confident10 Ų1046.1 Ų46.15%0.05124%0.243CC..Hα-helixtrans-66.7-39.3179.9-67.1169.2000111.1F364 L475 S481 A483F364-I479 HydrophobicContact CB-CD1 3.97Å; F364-I479 HydrophobicContact CB-CG2 4.07Å; F364-I479 HydrophobicContact CD1-CB 4.41Å; F364-I479 HydrophobicContact CD1-CD1 4.23Å; F364-I479 HydrophobicContact CD1-CG2 3.58Å; F364-I479 HydrophobicContact CD2-CD1 3.14Å; F364-I479 HydrophobicContact CD2-CG1 4.45Å; F364-I479 HydrophobicContact CD2-CG2 4.45Å; F364-I479 HydrophobicContact CE1-CG2 4.06Å; F364-I479 HydrophobicContact CE2-CD1 3.53Å; F364-I479 HydrophobicContact CG-CB 4.48Å; F364-I479 HydrophobicContact CG-CD1 3.53Å; F364-I479 HydrophobicContact CG-CG2 3.79Å; F364-I479 HydrophobicContact CZ-CD1 4.22Å; L475-I479 HydrophobicContact CD1-CD1 3.64Å; L475-I479 HydrophobicContact CD1-CG1 4.05Å; L475-I479 HydrophobicContact CG-CD1 3.8Å; L475-I479 WeakPolarHBondContact O-CB 3.31Å; L475-I479 VanDerWaalsContact O-CG1 3.27Å; L475-I479 WeakPolarHBondContact O-CG1 2.82Å; L475-I479 PolarHBondContact O-N 2.81Å; I479-S481 VanDerWaalsContact C-N 3.33Å; I479-A483 WeakPolarHBondContact O-CB 3.16Å; I479-A483 PolarHBondContact O-N 3.28Å
480T82.6Confident82.5Confident0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-65.2-40.8175.8-55.90000110.9I395 L436 I476 S477 D478 I484I395-T480 HydrophobicContact CD1-CG2 4.21Å; L436-T480 HydrophobicContact CD1-CG2 3.58Å; I476-T480 VanDerWaalsContact O-CB 3.28Å; I476-T480 WeakPolarHBondContact O-CB 3.37Å; I476-T480 PolarHBondContact O-N 2.86Å; I476-T480 PolarHBondContact O-OG1 3Å; S477-T480 PolarHBondContact O-N 2.62Å; D478-T480 PolarHBondContact O-N 2.93Å; T480-I484 HydrophobicContact CG2-CD1 3.85Å; T480-I484 WeakPolarHBondContact O-CD1 3.37Å; T480-I484 VanDerWaalsContact O-CG1 3.25Å; T480-I484 WeakPolarHBondContact O-CG1 3.26Å; T480-I484 PolarHBondContact O-N 2.7Å
481S87.6Confident83.2Confident7 Ų741.5 Ų41.55%0.04922%0.224CC..Hα-helixtrans-64.2-51.6177.5-56.20000111L458 M460 S477 D478 I479 A483 I484 E485L458-S481 WeakPolarHBondContact O-CB 3.14Å; L458-S481 PolarHBondContact O-OG 2.88Å; M460-S481 WeakPolarHBondContact CB-OG 3.11Å; M460-S481 WeakPolarHBondContact CG-OG 3.31Å; M460-S481 PolarHBondContact N-OG 3.01Å; S477-S481 WeakPolarHBondContact O-CB 3.36Å; S477-S481 PolarHBondContact O-N 2.05Å; S477-S481 PolarHBondContact O-OG 3.3Å; D478-S481 PolarHBondContact O-N 3.38Å; I479-S481 VanDerWaalsContact C-N 3.33Å; S481-A483 VanDerWaalsContact C-N 3.33Å; S481-A483 PolarHBondContact O-N 3.09Å; S481-I484 PolarHBondContact O-N 2.87Å; S481-I484 VanDerWaalsContact O-N 3.15Å; S481-E485 WeakPolarHBondContact O-CB 3.42Å; S481-E485 WeakPolarHBondContact O-CG 3.38Å; S481-E485 PolarHBondContact O-N 3.48Å
482S84.6Confident83.9Confident39 Ų3934.4 Ų34.427%0.27319%0.191SC..Hα-helixtrans-55.2-46.4175.9177.50000111.6E360 D478 I484 E485 S486E360-S482 PolarHBondContact OE2-OG 3.42Å; D478-S482 WeakPolarHBondContact O-CB 3.35Å; D478-S482 PolarHBondContact O-N 2.74Å; S482-I484 VanDerWaalsContact C-N 3.35Å; S482-I484 PolarHBondContact O-N 2.78Å; S482-E485 PolarHBondContact O-N 2.84Å; S482-S486 WeakPolarHBondContact O-CB 3.24Å; S482-S486 PolarHBondContact O-N 3.26Å
483A81Confident84.4Confident12 Ų1239.2 Ų39.210%0.09921%0.212CC..Hα-helixtrans-61.5-41.2178.700000112.6V361 I479 S481 K487V361-A483 HydrophobicContact CG2-CB 3.74Å; I479-A483 WeakPolarHBondContact O-CB 3.16Å; I479-A483 PolarHBondContact O-N 3.28Å; S481-A483 VanDerWaalsContact C-N 3.33Å; S481-A483 PolarHBondContact O-N 3.09Å; A483-K487 WeakPolarHBondContact O-CB 3.13Å; A483-K487 PolarHBondContact O-N 3.39Å
484I84.9Confident84.5Confident21 Ų2140.9 Ų40.911%0.10822%0.224CC..Hα-helixtrans-70.7-50.7177.8-67.6167000110.4L417 F455 L458 T480 S481 S482 S486 K487 V488L417-I484 HydrophobicContact CD1-CD1 3.6Å; F455-I484 HydrophobicContact CE1-CG2 4.4Å; L458-I484 HydrophobicContact CD2-CB 3.74Å; L458-I484 HydrophobicContact CD2-CD1 4.17Å; L458-I484 HydrophobicContact CD2-CG2 3.67Å; T480-I484 HydrophobicContact CG2-CD1 3.85Å; T480-I484 WeakPolarHBondContact O-CD1 3.37Å; T480-I484 VanDerWaalsContact O-CG1 3.25Å; T480-I484 WeakPolarHBondContact O-CG1 3.26Å; T480-I484 PolarHBondContact O-N 2.7Å; S481-I484 PolarHBondContact O-N 2.87Å; S481-I484 VanDerWaalsContact O-N 3.15Å; S482-I484 VanDerWaalsContact C-N 3.35Å; S482-I484 PolarHBondContact O-N 2.78Å; I484-S486 PolarHBondContact O-N 3.17Å; I484-K487 PolarHBondContact O-N 2.86Å; I484-K487 VanDerWaalsContact O-N 3.16Å; I484-V488 HydrophobicContact CG2-CG2 4.11Å; I484-V488 WeakPolarHBondContact O-CB 3.43Å; I484-V488 VanDerWaalsContact O-CG2 3.31Å; I484-V488 WeakPolarHBondContact O-CG2 3.29Å; I484-V488 PolarHBondContact O-N 2.83Å
485E87.3Confident84.5Confident46 Ų4637.7 Ų37.722%0.21521%0.208CC..Hα-helixtrans-57.7-49.5-179.5-73.6-166.8159.500111.6F455 T456 S457 L458 S481 S482 K487 V488 N489F455-E485 HydrophobicContact CD1-CG 4.12Å; F455-E485 HydrophobicContact CE1-CG 4.39Å; T456-E485 VanDerWaalsContact C-OE1 3.25Å; T456-E485 WeakPolarHBondContact CA-OE1 3.28Å; S457-E485 PolarHBondContact N-OE1 2.77Å; L458-E485 HydrophobicContact CB-CG 3.69Å; L458-E485 VanDerWaalsContact CB-OE1 3.27Å; L458-E485 WeakPolarHBondContact CB-OE1 3.39Å; L458-E485 HydrophobicContact CD2-CG 4.26Å; L458-E485 PolarHBondContact N-OE1 2.61Å; S481-E485 WeakPolarHBondContact O-CB 3.42Å; S481-E485 WeakPolarHBondContact O-CG 3.38Å; S481-E485 PolarHBondContact O-N 3.48Å; S482-E485 PolarHBondContact O-N 2.84Å; E485-K487 VanDerWaalsContact C-N 3.26Å; E485-K487 PolarHBondContact O-N 3.44Å; E485-V488 PolarHBondContact O-N 3.28Å; E485-N489 VanDerWaalsContact O-CB 3.25Å; E485-N489 WeakPolarHBondContact O-CB 3.39Å; E485-N489 VanDerWaalsContact O-CG 3.29Å; E485-N489 PolarHBondContact O-N 3.16Å; E485-N489 PolarHBondContact O-ND2 3.42Å
486S84.2Confident84.6Confident80 Ų8039.4 Ų39.456%0.55921%0.214SC*.Hα-helixtrans-54.2-45.1176.6-1800000111.3S482 I484 Q490S482-S486 WeakPolarHBondContact O-CB 3.24Å; S482-S486 PolarHBondContact O-N 3.26Å; I484-S486 PolarHBondContact O-N 3.17Å; S486-Q490 PolarHBondContact O-N 3.15Å
487K80.9Confident84.5Confident34 Ų3448.2 Ų48.215%0.14825%0.247CC..Hα-helixtrans-74-37.5-176.1-154.463.1-177.9143.20112.9L255 V257 L260 A483 I484 E485L255-K487 HydrophobicContact CD1-CG 4.46Å; V257-K487 VanDerWaalsContact CA-NZ 3.27Å; V257-K487 PolarHBondContact O-NZ 2.88Å; L260-K487 HydrophobicContact CD1-CG 4.19Å; L260-K487 HydrophobicContact CD2-CD 3.74Å; L260-K487 HydrophobicContact CD2-CG 3.64Å; L260-K487 WeakPolarHBondContact CD2-O 3.49Å; A483-K487 WeakPolarHBondContact O-CB 3.13Å; A483-K487 PolarHBondContact O-N 3.39Å; I484-K487 PolarHBondContact O-N 2.86Å; I484-K487 VanDerWaalsContact O-N 3.16Å; E485-K487 VanDerWaalsContact C-N 3.26Å; E485-K487 PolarHBondContact O-N 3.44Å
488V85.4Confident83.9Confident50 Ų5049.8 Ų49.830%0.30326%0.255SS..Hα-helixtrans-67.2-46.2174.5172.80000110.3F455 I484 E485 Q490 V491 L492F455-V488 HydrophobicContact CB-CB 4.33Å; F455-V488 HydrophobicContact CB-CG1 3.59Å; F455-V488 HydrophobicContact CD1-CB 4.17Å; F455-V488 HydrophobicContact CD1-CG1 4.05Å; F455-V488 HydrophobicContact CD1-CG2 4.42Å; F455-V488 HydrophobicContact CG-CG1 3.97Å; I484-V488 HydrophobicContact CG2-CG2 4.11Å; I484-V488 WeakPolarHBondContact O-CB 3.43Å; I484-V488 VanDerWaalsContact O-CG2 3.31Å; I484-V488 WeakPolarHBondContact O-CG2 3.29Å; I484-V488 PolarHBondContact O-N 2.83Å; E485-V488 PolarHBondContact O-N 3.28Å; V488-Q490 PolarHBondContact O-N 3.07Å; V488-V491 WeakPolarHBondContact O-CB 3.08Å; V488-V491 PolarHBondContact O-N 2.89Å; V488-V491 VanDerWaalsContact O-N 3.08Å; V488-L492 HydrophobicContact CG1-CD1 3.56Å; V488-L492 HydrophobicContact CG1-CG 3.95Å; V488-L492 WeakPolarHBondContact O-CG 3.39Å; V488-L492 PolarHBondContact O-N 2.96Å
489N90.4Very high83.1Confident21 Ų2150 Ų5011%0.11226%0.262CS..Hα-helixtrans-64-37.2-178.7-75.2-29.3000113.1F455 E485 V491 L492 E493F455-N489 PolarHBondContact N-OD1 3.12Å; F455-N489 PolarHBondContact O-ND2 3.33Å; F455-N489 PolarHBondContact O-OD1 3.47Å; E485-N489 VanDerWaalsContact O-CB 3.25Å; E485-N489 WeakPolarHBondContact O-CB 3.39Å; E485-N489 VanDerWaalsContact O-CG 3.29Å; E485-N489 PolarHBondContact O-N 3.16Å; E485-N489 PolarHBondContact O-ND2 3.42Å; N489-V491 PolarHBondContact O-N 2.72Å; N489-L492 PolarHBondContact O-N 2.84Å; N489-E493 VanDerWaalsContact O-CB 3.31Å; N489-E493 WeakPolarHBondContact O-CB 3.46Å; N489-E493 VanDerWaalsContact O-CG 3.32Å; N489-E493 WeakPolarHBondContact O-CG 3.3Å; N489-E493 PolarHBondContact O-N 2.68Å
490Q84.8Confident82.5Confident85 Ų8554.7 Ų54.740%0.39730%0.295SS..Hα-helixtrans-52.4-34.1173.5-168.9-174.15.900112.5S486 V488 T494S486-Q490 PolarHBondContact O-N 3.15Å; V488-Q490 PolarHBondContact O-N 3.07Å; Q490-T494 PolarHBondContact O-OG1 2.8Å
491V83.6Confident81.9Confident15 Ų1558.5 Ų58.59%0.09132%0.315CS..Hα-helixtrans-84-49.2178.7-176.30000111.1L260 L264 V488 N489 E493 T494 G495 F496L260-V491 HydrophobicContact CD2-CG2 3.17Å; L260-V491 HydrophobicContact CG-CG2 3.75Å; L264-V491 HydrophobicContact CD1-CB 4.06Å; L264-V491 HydrophobicContact CD1-CG1 3.52Å; L264-V491 HydrophobicContact CD1-CG2 3.5Å; V488-V491 WeakPolarHBondContact O-CB 3.08Å; V488-V491 PolarHBondContact O-N 2.89Å; V488-V491 VanDerWaalsContact O-N 3.08Å; N489-V491 PolarHBondContact O-N 2.72Å; V491-E493 VanDerWaalsContact C-N 3.31Å; V491-E493 PolarHBondContact O-N 2.98Å; V491-T494 WeakPolarHBondContact O-CB 3.17Å; V491-T494 PolarHBondContact O-N 2.89Å; V491-G495 PolarHBondContact O-N 2.87Å; V491-G495 VanDerWaalsContact O-N 3.1Å; V491-F496 HydrophobicContact CG1-CE1 4.39Å; V491-F496 HydrophobicContact CG1-CE2 4.08Å; V491-F496 HydrophobicContact CG1-CZ 3.53Å
492L87.7Confident81.2Confident25 Ų2562.6 Ų62.613%0.13134%0.344CS..Hα-helixtrans-65.3-35.1-174.5-64.9-177.8000112.2M442 T452 G453 F455 V488 N489 G495M442-L492 HydrophobicContact CG-CD1 4.23Å; M442-L492 HydrophobicContact SD-CD1 4.12Å; T452-L492 CarbonylContact C-O 3.57Å; T452-L492 VanDerWaalsContact CA-O 3.26Å; T452-L492 WeakPolarHBondContact CA-O 3.34Å; G453-L492 PolarHBondContact N-O 2.9Å; G453-L492 CarbonylContact O-C 3.51Å; G453-L492 WeakPolarHBondContact O-CB 3.33Å; F455-L492 HydrophobicContact CB-CD1 3.95Å; V488-L492 HydrophobicContact CG1-CD1 3.56Å; V488-L492 HydrophobicContact CG1-CG 3.95Å; V488-L492 WeakPolarHBondContact O-CG 3.39Å; V488-L492 PolarHBondContact O-N 2.96Å; N489-L492 PolarHBondContact O-N 2.84Å; L492-G495 PolarHBondContact O-N 2.83Å
493E88.7Confident80.7Confident125 Ų12564.1 Ų64.158%0.58435%0.348SS*.Hα-helixtrans-72.3-35.8176.6-68.7176.8177.400112.3N489 V491 G495N489-E493 VanDerWaalsContact O-CB 3.31Å; N489-E493 WeakPolarHBondContact O-CB 3.46Å; N489-E493 VanDerWaalsContact O-CG 3.32Å; N489-E493 WeakPolarHBondContact O-CG 3.3Å; N489-E493 PolarHBondContact O-N 2.68Å; V491-E493 VanDerWaalsContact C-N 3.31Å; V491-E493 PolarHBondContact O-N 2.98Å; E493-G495 PolarHBondContact O-N 2.8Å
494T85.4Confident80.9Confident62 Ų6263.8 Ų63.838%0.3835%0.345SS..Hα-helixtrans-60.9-37.4172-630000111R450 Q490 V491R450-T494 PolarHBondContact NH1-O 2.75Å; Q490-T494 PolarHBondContact O-OG1 2.8Å; V491-T494 WeakPolarHBondContact O-CB 3.17Å; V491-T494 PolarHBondContact O-N 2.89Å
495G83Confident80.9Confident5 Ų568.7 Ų68.75%0.05237%0.368CS..  trans72.4169.417900000114.9I451 V491 L492 E493I451-G495 CarbonylContact O-C 3.55Å; I451-G495 WeakPolarHBondContact O-CA 3.29Å; V491-G495 PolarHBondContact O-N 2.87Å; V491-G495 VanDerWaalsContact O-N 3.1Å; L492-G495 PolarHBondContact O-N 2.83Å; E493-G495 PolarHBondContact O-N 2.8Å
496F81.2Confident80.9Confident90 Ų9068.9 Ų68.940%0.39537%0.37SS..EExtended strand (participates in β ladder)trans-114.3131.2178.4-59.2-87.4000109.8R450 I451 V491R450-F496 CarbonylContact C-O 3.55Å; R450-F496 VanDerWaalsContact CA-O 3.28Å; R450-F496 WeakPolarHBondContact CA-O 3.29Å; I451-F496 PolarHBondContact N-O 3.06Å; I451-F496 PolarHBondContact O-N 3.36Å; V491-F496 HydrophobicContact CG1-CE1 4.39Å; V491-F496 HydrophobicContact CG1-CE2 4.08Å; V491-F496 HydrophobicContact CG1-CZ 3.53Å
497R78.6Confident81.1Confident186 Ų18670.4 Ų70.470%0.70237%0.366SS*.EExtended strand (participates in β ladder)trans-73.4132.3172.8-166.5178.4-164.7169.87.6109D449D449-R497 IonicContact OD2-CZ 3.72Å; D449-R497 IonicContact OD2-NE 3.77Å; D449-R497 PolarHBondContact OD2-NE 3.26Å; D449-R497 IonicContact OD2-NH2 3.78Å; D449-R497 PolarHBondContact OD2-NH2 2.72Å
498I73.7Confident81.5Confident38 Ų3873.7 Ų73.720%0.19539%0.385CS..PPolyproline II helixtrans-65.1131172.4-60.7-170.6000108.8D449 I451 S500 I506 L509D449-I498 PolarHBondContact O-N 3.31Å; I451-I498 HydrophobicContact CD1-CD1 4.01Å; I451-I498 HydrophobicContact CD1-CG1 3.95Å; I451-I498 HydrophobicContact CG1-CD1 4.04Å; I451-I498 HydrophobicContact CG1-CG1 3.93Å; I498-S500 PolarHBondContact O-N 2.81Å; I498-I506 HydrophobicContact CG2-CD1 3.67Å; I498-L509 HydrophobicContact CD1-CD1 3.34Å; I498-L509 HydrophobicContact CD1-CD2 3.35Å; I498-L509 HydrophobicContact CD1-CG 3.91Å; I498-L509 HydrophobicContact CG1-CD2 4.24Å
499P69.6Low81.7Confident100 Ų10072.4 Ų72.465%0.64938%0.376SS*.PPolyproline II helixtrans-56.1135.8175.4-24.433.7000111.6
500S68.3Low81.7Confident107 Ų10774.5 Ų74.575%0.74838%0.383SS*.PPolyproline II helixtrans-68.1133.416955.90000109.8I498I498-S500 PolarHBondContact O-N 2.81Å
501L70.3Confident81.9Confident80 Ų8071.8 Ų71.842%0.41937%0.371SS..PPolyproline II helixtrans-81.5144170.4-52.2171.4000108.6I503 A504 I506L501-I503 VanDerWaalsContact C-N 3.28Å; L501-I503 HydrophobicContact CB-CG1 4.35Å; L501-I503 PolarHBondContact O-N 2.84Å; L501-A504 CarbonylContact C-O 3.49Å; L501-A504 WeakPolarHBondContact CB-O 3.41Å; L501-A504 PolarHBondContact N-O 2.9Å; L501-A504 PolarHBondContact O-N 3.08Å; L501-I506 HydrophobicContact CD1-CD1 4.13Å; L501-I506 HydrophobicContact CD1-CG1 4.32Å; L501-I506 HydrophobicContact CG-CD1 4.2Å
502S71.3Confident82.2Confident94 Ų9473 Ų7366%0.65738%0.376SS*.SBendtrans-62.1-38.517749.50000112M530S502-M530 WeakPolarHBondContact O-CE 3.22Å
503I75.2Confident82.5Confident71 Ų7173 Ų7336%0.36438%0.376SS..SBendtrans-83.5-17.3-177.558.2170.4000113.7L501 N527 M530L501-I503 VanDerWaalsContact C-N 3.28Å; L501-I503 HydrophobicContact CB-CG1 4.35Å; L501-I503 PolarHBondContact O-N 2.84Å; I503-N527 PolarHBondContact O-N 3.15Å; I503-M530 HydrophobicContact CB-SD 4.28Å; I503-M530 HydrophobicContact CG2-SD 3.48Å; I503-M530 WeakPolarHBondContact CG2-SD 3.46Å
504A84.1Confident82.6Confident4 Ų467.3 Ų67.33%0.03335%0.35CS..EExtended strand (participates in β ladder)trans-157.4145.1-171.100000113.6L501 L524 V525 L526L501-A504 CarbonylContact C-O 3.49Å; L501-A504 WeakPolarHBondContact CB-O 3.41Å; L501-A504 PolarHBondContact N-O 2.9Å; L501-A504 PolarHBondContact O-N 3.08Å; A504-L524 HydrophobicContact CB-CB 4.41Å; A504-L524 HydrophobicContact CB-CD2 4.29Å; A504-V525 CarbonylContact C-O 3.54Å; A504-V525 VanDerWaalsContact CA-O 3.23Å; A504-V525 WeakPolarHBondContact CA-O 3.49Å; A504-L526 HydrophobicContact CB-CD2 4.06Å
505Q86.4Confident82.9Confident125 Ų12569.9 Ų69.958%0.58436%0.358SS*.EExtended strand (participates in β ladder)trans-88.4144.7162.2-59.9-178-10.700110.2L524 V525Q505-L524 CarbonylContact O-C 3.57Å; Q505-L524 WeakPolarHBondContact O-CA 3.31Å; Q505-V525 HydrophobicContact CB-CB 4.25Å; Q505-V525 PolarHBondContact N-O 2.93Å; Q505-V525 PolarHBondContact O-N 2.89Å
506I86.9Confident83.4Confident50 Ų5070.6 Ų70.626%0.25637%0.365SS..EExtended strand (participates in β ladder)trans-96131.1177.4-70.7170000109I498 L501 V522 L524I498-I506 HydrophobicContact CG2-CD1 3.67Å; L501-I506 HydrophobicContact CD1-CD1 4.13Å; L501-I506 HydrophobicContact CD1-CG1 4.32Å; L501-I506 HydrophobicContact CG-CD1 4.2Å; I506-V522 HydrophobicContact CG2-CB 3.83Å; I506-V522 HydrophobicContact CG2-CG1 3.49Å; I506-V522 VanDerWaalsContact CG2-CG1 3.49Å; I506-L524 HydrophobicContact CG1-CD2 4.34Å
507K88.5Confident84Confident112 Ų11266.3 Ų66.349%0.48735%0.346SS..EExtended strand (participates in β ladder)trans-130.9164.9173.9-71.1-167.3175.7-176.90110.6L509 N523 V525K507-L509 PolarHBondContact O-N 3.48Å; K507-N523 HydrophobicContact CB-CB 4.46Å; K507-N523 PolarHBondContact N-O 2.88Å; K507-N523 PolarHBondContact O-N 2.86Å; K507-V525 HydrophobicContact CD-CG2 3.8Å; K507-V525 HydrophobicContact CG-CG2 4.19Å
508N88.7Confident84.8Confident103 Ų10358.2 Ų58.255%0.55132%0.317SS*.EExtended strand (participates in β ladder)trans51.860.1174.2-58.57.3000111.8H324 Y510 N523H324-N508 PolarHBondContact CD2-O 3Å; H324-N508 PolarHBondContact NE2-O 2.82Å; N508-Y510 PolarHBondContact O-N 2.77Å; N508-N523 HydrophobicContact CB-CB 4.27Å; N508-N523 PolarHBondContact ND2-ND2 3.47Å; N508-N523 VanDerWaalsContact ND2-ND2 3.18Å
509L89.3Confident85.7Confident22 Ų2256.4 Ų56.412%0.11531%0.308CS..EExtended strand (participates in β ladder)trans-70.5114.9-179.9177.765.5000110.5S446 I451 I498 K507 M511 I520 V522S446-L509 WeakPolarHBondContact CB-O 3.39Å; S446-L509 WeakPolarHBondContact OG-CB 3.44Å; S446-L509 VanDerWaalsContact OG-CD2 3.3Å; S446-L509 WeakPolarHBondContact OG-CD2 3.42Å; S446-L509 WeakPolarHBondContact OG-CG 3.35Å; S446-L509 PolarHBondContact OG-O 3.44Å; I451-L509 HydrophobicContact CG1-CD2 4.07Å; I498-L509 HydrophobicContact CD1-CD1 3.34Å; I498-L509 HydrophobicContact CD1-CD2 3.35Å; I498-L509 HydrophobicContact CD1-CG 3.91Å; I498-L509 HydrophobicContact CG1-CD2 4.24Å; K507-L509 PolarHBondContact O-N 3.48Å; L509-M511 HydrophobicContact CD1-CG 4.3Å; L509-M511 HydrophobicContact CD2-SD 4.46Å; L509-M511 HydrophobicContact CG-CG 4.39Å; L509-I520 HydrophobicContact CD1-CG2 3.53Å; L509-V522 HydrophobicContact CD1-CG1 3.8Å
510Y90Very high86.9Confident65 Ų6552.7 Ų52.726%0.25528%0.282SS..EExtended strand (participates in β ladder)trans-108.1142.8171.8177.5-101.3000110.3H322 H324 Y327 N508 E512 I520 G521H322-Y510 AromaticContact CD2-CD1 3.96Å; H322-Y510 AromaticContact CD2-CE1 3.49Å; H322-Y510 VanDerWaalsContact CD2-CE1 3.49Å; H322-Y510 WeakPolarHBondContact CD2-CE1 3.11Å; H322-Y510 AromaticContact CD2-CZ 3.54Å; H322-Y510 AromaticContact NE2-CE1 3.58Å; H322-Y510 AromaticContact NE2-CE2 3.79Å; H322-Y510 AromaticContact NE2-CZ 3.18Å; H322-Y510 PolarHBondContact NE2-OH 2.88Å; H324-Y510 VanDerWaalsContact CE1-CB 3.44Å; H324-Y510 WeakPolarHBondContact CE1-CB 3.18Å; H324-Y510 AromaticContact CE1-CG 3.96Å; Y327-Y510 HydrophobicContact CE1-CD1 4.41Å; N508-Y510 PolarHBondContact O-N 2.77Å; Y510-E512 HydrophobicContact CE1-CB 4.04Å; Y510-E512 HydrophobicContact CE1-CG 3.72Å; Y510-E512 PolarHBondContact OH-OE2 2.76Å; Y510-I520 CarbonylContact O-C 3.5Å; Y510-I520 WeakPolarHBondContact O-CA 3.34Å; Y510-G521 PolarHBondContact N-O 3.13Å; Y510-G521 PolarHBondContact O-N 3.1Å
511M89.6Confident88Confident28 Ų2847.6 Ų47.614%0.13825%0.246CC..EExtended strand (participates in β ladder)trans-144.7136.3176.5-67.6-176.754.800110.7I444 I451 L509 I518 L519 I520I444-M511 HydrophobicContact CB-CE 4.06Å; I444-M511 HydrophobicContact CD1-CE 3.44Å; I444-M511 VanDerWaalsContact CD1-CE 3.44Å; I444-M511 HydrophobicContact CG1-CE 4.15Å; I451-M511 HydrophobicContact CB-SD 4.28Å; I451-M511 HydrophobicContact CD1-CE 4.43Å; I451-M511 HydrophobicContact CD1-SD 3.94Å; I451-M511 HydrophobicContact CG1-SD 3.71Å; I451-M511 HydrophobicContact CG2-CE 3.78Å; I451-M511 HydrophobicContact CG2-SD 3.81Å; L509-M511 HydrophobicContact CD1-CG 4.3Å; L509-M511 HydrophobicContact CD2-SD 4.46Å; L509-M511 HydrophobicContact CG-CG 4.39Å; M511-I518 HydrophobicContact CE-CG2 4.19Å; M511-L519 WeakPolarHBondContact CA-O 3.3Å; M511-I520 HydrophobicContact CE-CD1 4.47Å; M511-I520 HydrophobicContact CE-CG1 4.44Å; M511-I520 HydrophobicContact CG-CB 4.49Å; M511-I520 HydrophobicContact CG-CG1 4.18Å; M511-I520 HydrophobicContact CG-CG2 4.13Å
512E90.7Very high89.1Confident41 Ų4144.2 Ų44.219%0.19223%0.229CC..EExtended strand (participates in β ladder)trans-147.6161.8170.769.7-174.2159.700111.4Y510 L519Y510-E512 HydrophobicContact CE1-CB 4.04Å; Y510-E512 HydrophobicContact CE1-CG 3.72Å; Y510-E512 PolarHBondContact OH-OE2 2.76Å; E512-L519 HydrophobicContact CG-CB 3.97Å; E512-L519 HydrophobicContact CG-CD2 4.27Å; E512-L519 PolarHBondContact N-O 2.86Å; E512-L519 PolarHBondContact O-N 3.21Å; E512-L519 WeakPolarHBondContact OE1-CD2 3.33Å
513T92.9Very high90.2Very high24 Ų2441.2 Ų41.215%0.14721%0.206CC..EExtended strand (participates in β ladder)trans-96.4125173.7480000110.2R319 I405 G407 I411 I444R319-T513 PolarHBondContact NH2-O 3.38Å; R319-T513 VanDerWaalsContact NH2-O 3.09Å; I405-T513 HydrophobicContact CG2-CG2 4.17Å; G407-T513 CarbonylContact C-O 3.39Å; G407-T513 WeakPolarHBondContact O-CB 3.17Å; G407-T513 PolarHBondContact O-OG1 3.49Å; I411-T513 HydrophobicContact CD1-CG2 4.29Å; I411-T513 HydrophobicContact CG1-CG2 3.92Å; I444-T513 HydrophobicContact CD1-CG2 4.33Å; I444-T513 HydrophobicContact CG1-CG2 4.45Å
514E91.7Very high90.9Very high7 Ų739.4 Ų39.43%0.03320%0.197CC..EExtended strand (participates in β ladder)trans-105.6168.4173.3-69.8-62.9108.800109.6R319 L329 I405 G407 G516 G517 L519R319-E514 WeakPolarHBondContact CB-OE2 3.4Å; R319-E514 WeakPolarHBondContact CG-OE2 3.35Å; R319-E514 IonicContact CZ-OE1 3.18Å; R319-E514 PolarHBondContact N-OE2 3.09Å; R319-E514 IonicContact NE-OE1 3.96Å; R319-E514 PolarHBondContact NE-OE1 2.87Å; R319-E514 IonicContact NE-OE2 3.1Å; R319-E514 PolarHBondContact NE-OE2 3Å; R319-E514 IonicContact NH2-OE1 3.83Å; R319-E514 PolarHBondContact NH2-OE1 2.78Å; L329-E514 HydrophobicContact CD1-CB 4.44Å; I405-E514 WeakPolarHBondContact CG2-O 3.49Å; G407-E514 VanDerWaalsContact CA-C 3.49Å; G407-E514 WeakPolarHBondContact CA-O 3.11Å; G407-E514 PolarHBondContact N-O 2.82Å; E514-G516 VanDerWaalsContact O-N 3.16Å; E514-G516 PolarHBondContact O-N 3.05Å; E514-G517 WeakPolarHBondContact CA-O 3.41Å; E514-G517 CarbonylContact C-O 3.56Å; E514-G517 PolarHBondContact O-N 2.8Å; E514-G517 PolarHBondContact N-O 2.88Å; E514-L519 HydrophobicContact CG-CB 3.96Å
515E92.1Very high91.2Very high116 Ų11641.7 Ų41.754%0.54221%0.21SC..BIsolated β-bridgetrans-62.8122.1176.4-167.560.9-150.700109.6P316 G407 G517P316-E515 HydrophobicContact CG-CB 4.25Å; P316-E515 WeakPolarHBondContact CG-O 3.28Å; G407-E515 PolarHBondContact N-OE2 2.92Å; E515-G517 VanDerWaalsContact C-N 3.25Å; E515-G517 PolarHBondContact O-N 2.89Å
516G92.6Very high91.3Very high19 Ų1937 Ų3720%0.19619%0.189CC..THydrogen-bonded Turntrans70.87.2-178.600000116S331 E332 I405 E514S331-G516 CarbonylContact C-O 3.52Å; S331-G516 WeakPolarHBondContact CA-O 3.39Å; E332-G516 PolarHBondContact N-O 2.96Å; I405-G516 PolarHBondContact O-N 2.99Å; E514-G516 VanDerWaalsContact O-N 3.16Å; E514-G516 PolarHBondContact O-N 3.05Å
517G94.3Very high91.3Very high1 Ų138 Ų381%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-165168-17600000116.8I330 I405 E514 E515I330-G517 CarbonylContact O-C 3.45Å; I330-G517 WeakPolarHBondContact O-CA 3.27Å; I405-G517 WeakPolarHBondContact CG2-O 2.88Å; E514-G517 WeakPolarHBondContact CA-O 3.41Å; E514-G517 CarbonylContact C-O 3.56Å; E514-G517 PolarHBondContact O-N 2.8Å; E514-G517 PolarHBondContact N-O 2.88Å; E515-G517 VanDerWaalsContact C-N 3.25Å; E515-G517 PolarHBondContact O-N 2.89Å
518I94.2Very high91.1Very high16 Ų1636.6 Ų36.68%0.08220%0.195CC..EExtended strand (participates in β ladder)trans-108.6122.6173.8-58.1167.8000107.9L329 I330 I335 I405 I411 I444 M511 I520L329-I518 WeakPolarHBondContact CA-O 3.21Å; I330-I518 PolarHBondContact N-O 3.18Å; I330-I518 PolarHBondContact O-N 3.3Å; I335-I518 HydrophobicContact CD1-CD1 3.85Å; I405-I518 HydrophobicContact CD1-CD1 4.46Å; I405-I518 HydrophobicContact CD1-CG1 3.97Å; I411-I518 HydrophobicContact CD1-CD1 3.82Å; I411-I518 HydrophobicContact CD1-CG1 4.25Å; I444-I518 HydrophobicContact CD1-CB 4.28Å; I444-I518 HydrophobicContact CD1-CD1 3.71Å; I444-I518 HydrophobicContact CD1-CG1 3.88Å; I444-I518 HydrophobicContact CD1-CG2 3.39Å; M511-I518 HydrophobicContact CE-CG2 4.19Å; I518-I520 HydrophobicContact CG2-CG1 4.01Å
519L94.2Very high90.9Very high0 Ų034.1 Ų34.10%019%0.189CC..EExtended strand (participates in β ladder)trans-94.5125.3174.2-173.371.6000109.6L40 P318 L321 Y327 L329 M511 E512 E514L40-L519 HydrophobicContact CD1-CD1 4.07Å; P318-L519 HydrophobicContact CB-CD1 4.36Å; P318-L519 HydrophobicContact CB-CD2 4.05Å; L321-L519 HydrophobicContact CD2-CD1 4.45Å; L321-L519 HydrophobicContact CD2-CD2 4.06Å; Y327-L519 HydrophobicContact CD1-CD1 4.05Å; Y327-L519 HydrophobicContact CD1-CD2 3.97Å; Y327-L519 HydrophobicContact CD1-CG 3.88Å; Y327-L519 HydrophobicContact CE1-CD2 4.34Å; Y327-L519 HydrophobicContact CG-CD1 4.31Å; L329-L519 HydrophobicContact CB-CD1 4.01Å; L329-L519 HydrophobicContact CD1-CB 4.13Å; L329-L519 HydrophobicContact CD1-CD1 4.2Å; M511-L519 WeakPolarHBondContact CA-O 3.3Å; E512-L519 HydrophobicContact CG-CB 3.97Å; E512-L519 HydrophobicContact CG-CD2 4.27Å; E512-L519 PolarHBondContact N-O 2.86Å; E512-L519 PolarHBondContact O-N 3.21Å; E512-L519 WeakPolarHBondContact OE1-CD2 3.33Å; E514-L519 HydrophobicContact CG-CB 3.96Å
520I92.9Very high90.4Very high21 Ų2136.2 Ų36.211%0.10820%0.199CC..EExtended strand (participates in β ladder)trans-118.6116178.5-53.8-178.7000108.4Y327 V328 I330 L509 Y510 M511 I518 V522Y327-I520 CarbonylContact C-O 3.6Å; Y327-I520 WeakPolarHBondContact CA-O 3.42Å; V328-I520 HydrophobicContact CB-CB 4.47Å; V328-I520 PolarHBondContact N-O 2.79Å; V328-I520 PolarHBondContact O-N 3.17Å; I330-I520 HydrophobicContact CD1-CD1 3.85Å; L509-I520 HydrophobicContact CD1-CG2 3.53Å; Y510-I520 CarbonylContact O-C 3.5Å; Y510-I520 WeakPolarHBondContact O-CA 3.34Å; M511-I520 HydrophobicContact CE-CD1 4.47Å; M511-I520 HydrophobicContact CE-CG1 4.44Å; M511-I520 HydrophobicContact CG-CB 4.49Å; M511-I520 HydrophobicContact CG-CG1 4.18Å; M511-I520 HydrophobicContact CG-CG2 4.13Å; I518-I520 HydrophobicContact CG2-CG1 4.01Å; I520-V522 HydrophobicContact CG2-CG1 4.45Å
521G93.4Very high89.9Confident0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-102.1140.5176.800000112.2Y510Y510-G521 PolarHBondContact N-O 3.13Å; Y510-G521 PolarHBondContact O-N 3.1Å
522V92.8Very high89.5Confident9 Ų935.3 Ų35.36%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-145.7147.2179.4-63.50000112.8H325 L326 I506 L509 I520 L524H325-V522 PolarHBondContact N-O 3.02Å; L326-V522 HydrophobicContact CB-CG2 3.94Å; L326-V522 HydrophobicContact CD2-CG2 4.21Å; L326-V522 HydrophobicContact CG-CG2 4.44Å; L326-V522 PolarHBondContact N-O 2.81Å; L326-V522 VanDerWaalsContact N-O 3.08Å; L326-V522 PolarHBondContact O-N 2.81Å; I506-V522 HydrophobicContact CG2-CB 3.83Å; I506-V522 HydrophobicContact CG2-CG1 3.49Å; I506-V522 VanDerWaalsContact CG2-CG1 3.49Å; L509-V522 HydrophobicContact CD1-CG1 3.8Å; I520-V522 HydrophobicContact CG2-CG1 4.45Å; V522-L524 HydrophobicContact CG2-CD2 4.18Å
523N93.3Very high89Confident32 Ų3238.3 Ų38.317%0.17122%0.215CC..EExtended strand (participates in β ladder)trans-93.3142.3162.8-72.7-6.6000110.1H324 H325 K507 N508H324-N523 WeakPolarHBondContact CA-OD1 3.38Å; H325-N523 PolarHBondContact N-OD1 3.08Å; K507-N523 HydrophobicContact CB-CB 4.46Å; K507-N523 PolarHBondContact N-O 2.88Å; K507-N523 PolarHBondContact O-N 2.86Å; N508-N523 HydrophobicContact CB-CB 4.27Å; N508-N523 PolarHBondContact ND2-ND2 3.47Å; N508-N523 VanDerWaalsContact ND2-ND2 3.18Å
524L91.1Very high88.2Confident33 Ų3339.4 Ų39.417%0.17322%0.223CC..EExtended strand (participates in β ladder)trans-102.8142.8179.3-57.9179.8000110.2Y48 H325 L326 A504 Q505 I506 V522Y48-L524 HydrophobicContact CE1-CB 4.37Å; Y48-L524 WeakPolarHBondContact CE1-O 3.29Å; Y48-L524 VanDerWaalsContact CZ-O 3.29Å; Y48-L524 PolarHBondContact OH-O 3.38Å; H325-L524 HydrophobicContact CB-CG 4.46Å; H325-L524 PolarHBondContact ND1-N 3.42Å; H325-L524 VanDerWaalsContact ND1-N 3.18Å; H325-L524 PolarHBondContact ND1-O 3.2Å; L326-L524 HydrophobicContact CB-CD1 4.45Å; L326-L524 HydrophobicContact CD2-CD1 4.3Å; L326-L524 HydrophobicContact CD2-CD2 4.38Å; A504-L524 HydrophobicContact CB-CB 4.41Å; A504-L524 HydrophobicContact CB-CD2 4.29Å; Q505-L524 CarbonylContact O-C 3.57Å; Q505-L524 WeakPolarHBondContact O-CA 3.31Å; I506-L524 HydrophobicContact CG1-CD2 4.34Å; V522-L524 HydrophobicContact CG2-CD2 4.18Å
525V90.4Very high87.6Confident52 Ų5239.8 Ų39.832%0.31523%0.227SC..EExtended strand (participates in β ladder)trans-115.6103.9162.1-177.10000107.3Y48 A504 Q505 K507Y48-V525 WeakPolarHBondContact OH-CA 3.12Å; A504-V525 CarbonylContact C-O 3.54Å; A504-V525 VanDerWaalsContact CA-O 3.23Å; A504-V525 WeakPolarHBondContact CA-O 3.49Å; Q505-V525 HydrophobicContact CB-CB 4.25Å; Q505-V525 PolarHBondContact N-O 2.93Å; Q505-V525 PolarHBondContact O-N 2.89Å; K507-V525 HydrophobicContact CD-CG2 3.8Å; K507-V525 HydrophobicContact CG-CG2 4.19Å
526L88.4Confident86.8Confident26 Ų2636.1 Ų36.114%0.13621%0.214CC..EExtended strand (participates in β ladder)trans-73.8141.9-174.4-69.2174.4000112Y48 L49 V52 A504 T528 I531Y48-L526 HydrophobicContact CD1-CD1 4.46Å; Y48-L526 HydrophobicContact CE1-CB 4.47Å; Y48-L526 HydrophobicContact CE1-CD1 4.03Å; Y48-L526 HydrophobicContact CE1-CG 3.86Å; Y48-L526 PolarHBondContact OH-N 3.49Å; Y48-L526 VanDerWaalsContact OH-N 3.15Å; L49-L526 HydrophobicContact CD1-CD1 3.75Å; V52-L526 HydrophobicContact CB-CD1 4.17Å; V52-L526 HydrophobicContact CG1-CB 4.28Å; V52-L526 HydrophobicContact CG1-CD1 4.14Å; V52-L526 HydrophobicContact CG2-CD1 4.25Å; A504-L526 HydrophobicContact CB-CD2 4.06Å; L526-T528 PolarHBondContact O-N 2.97Å; L526-I531 HydrophobicContact CB-CD1 3.66Å; L526-I531 HydrophobicContact CD1-CD1 3.82Å; L526-I531 HydrophobicContact CD2-CD1 4.22Å; L526-I531 HydrophobicContact CG-CD1 4.08Å
527N86.2Confident85.8Confident70 Ų7039 Ų3937%0.37422%0.224SC..  trans-79.897.1171.9-175.1-27.6000109.9I503 A529 M530 I531I503-N527 PolarHBondContact O-N 3.15Å; N527-A529 VanDerWaalsContact C-N 3.31Å; N527-A529 PolarHBondContact O-N 3.47Å; N527-A529 PolarHBondContact OD1-N 2.85Å; N527-M530 PolarHBondContact OD1-N 3.43Å; N527-M530 HydrophobicContact CB-CB 4.14Å; N527-M530 PolarHBondContact O-N 2.89Å; N527-I531 WeakPolarHBondContact O-CG1 3.49Å; N527-I531 PolarHBondContact O-N 2.9Å; N527-I531 VanDerWaalsContact O-N 3.12Å
528T84Confident84.6Confident83 Ų8342.1 Ų42.151%0.50924%0.24SC..Hα-helixtrans-58-39.6-175.654.80000113.1V52 L526 M530 I531 Q532V52-T528 HydrophobicContact CG1-CG2 4.06Å; L526-T528 PolarHBondContact O-N 2.97Å; T528-M530 PolarHBondContact O-N 2.82Å; T528-I531 PolarHBondContact O-N 2.77Å; T528-Q532 VanDerWaalsContact O-CB 3.32Å; T528-Q532 WeakPolarHBondContact O-CB 3.33Å; T528-Q532 PolarHBondContact O-N 2.9Å
529A84Confident83.4Confident51 Ų5143.2 Ų43.242%0.42125%0.247SC..Hα-helixtrans-64.8-41.2179.200000112.2N527 N533N527-A529 VanDerWaalsContact C-N 3.31Å; N527-A529 PolarHBondContact O-N 3.47Å; N527-A529 PolarHBondContact OD1-N 2.85Å; A529-N533 WeakPolarHBondContact O-CB 3.43Å; A529-N533 PolarHBondContact O-ND2 2.72Å; A529-N533 PolarHBondContact O-N 3.14Å; A529-N533 VanDerWaalsContact O-CG 3.24Å
530M78.9Confident82.1Confident66 Ų6646.5 Ų46.533%0.32526%0.262SS..Hα-helixtrans-66.9-39.7177.1-171.1-178.2-61.700111.9S502 I503 N527 T528 S534S502-M530 WeakPolarHBondContact O-CE 3.22Å; I503-M530 HydrophobicContact CB-SD 4.28Å; I503-M530 HydrophobicContact CG2-SD 3.48Å; I503-M530 WeakPolarHBondContact CG2-SD 3.46Å; N527-M530 PolarHBondContact OD1-N 3.43Å; N527-M530 HydrophobicContact CB-CB 4.14Å; N527-M530 PolarHBondContact O-N 2.89Å; T528-M530 PolarHBondContact O-N 2.82Å; M530-S534 PolarHBondContact O-N 3.16Å; M530-S534 VanDerWaalsContact O-N 3.14Å; M530-S534 PolarHBondContact O-OG 3.26Å
531I80.7Confident80.4Confident25 Ų2551.9 Ų51.913%0.12828%0.284CS..Hα-helixtrans-65.1-50176.2-67.7176.2000110.1V52 M53 I56 L526 N527 T528 N533 S534 V535V52-I531 HydrophobicContact CG1-CD1 4.17Å; M53-I531 HydrophobicContact CE-CG2 4.43Å; M53-I531 HydrophobicContact SD-CG2 3.34Å; M53-I531 WeakPolarHBondContact SD-CG2 3.05Å; I56-I531 HydrophobicContact CD1-CB 4.16Å; I56-I531 HydrophobicContact CD1-CG2 3.62Å; L526-I531 HydrophobicContact CB-CD1 3.66Å; L526-I531 HydrophobicContact CD1-CD1 3.82Å; L526-I531 HydrophobicContact CD2-CD1 4.22Å; L526-I531 HydrophobicContact CG-CD1 4.08Å; N527-I531 WeakPolarHBondContact O-CG1 3.49Å; N527-I531 PolarHBondContact O-N 2.9Å; N527-I531 VanDerWaalsContact O-N 3.12Å; T528-I531 PolarHBondContact O-N 2.77Å; I531-N533 VanDerWaalsContact C-N 3.3Å; I531-N533 PolarHBondContact O-N 3.27Å; I531-S534 PolarHBondContact O-N 2.95Å; I531-S534 WeakPolarHBondContact O-CB 3.21Å; I531-S534 WeakPolarHBondContact O-CA 3.26Å; I531-V535 HydrophobicContact CG2-CG2 4.23Å; I531-V535 WeakPolarHBondContact O-CG2 3.41Å; I531-V535 PolarHBondContact O-N 3.13Å
532Q80.7Confident78.5Confident49 Ų4955.6 Ų55.623%0.22930%0.302CS..Hα-helixtrans-56.8-44.8179.4-176.8174.62.200111.5I56 R59 T528 S534 V535 S536I56-Q532 HydrophobicContact CD1-CB 4.3Å; I56-Q532 HydrophobicContact CG2-CB 4.31Å; I56-Q532 HydrophobicContact CG2-CG 4.28Å; R59-Q532 VanDerWaalsContact CZ-NE2 3.33Å; T528-Q532 VanDerWaalsContact O-CB 3.32Å; T528-Q532 WeakPolarHBondContact O-CB 3.33Å; T528-Q532 PolarHBondContact O-N 2.9Å; Q532-S534 VanDerWaalsContact C-N 3.26Å; Q532-S534 PolarHBondContact O-N 3.46Å; Q532-V535 PolarHBondContact O-N 2.91Å; Q532-S536 PolarHBondContact O-N 2.9Å; Q532-S536 WeakPolarHBondContact O-CB 3.08Å; Q532-S536 VanDerWaalsContact O-CB 3.3Å
533N80.6Confident76.4Confident104 Ų10457.5 Ų57.556%0.55631%0.31SS*.Hα-helixtrans-60.9-35.8175.4-73.6-15.7000112.5A529 I531 N537A529-N533 WeakPolarHBondContact O-CB 3.43Å; A529-N533 PolarHBondContact O-ND2 2.72Å; A529-N533 PolarHBondContact O-N 3.14Å; A529-N533 VanDerWaalsContact O-CG 3.24Å; I531-N533 VanDerWaalsContact C-N 3.3Å; I531-N533 PolarHBondContact O-N 3.27Å; N533-N537 WeakPolarHBondContact O-CB 3.41Å; N533-N537 VanDerWaalsContact O-CG 3.29Å; N533-N537 PolarHBondContact O-N 2.76Å; N533-N537 PolarHBondContact O-ND2 2.89Å
534S76.2Confident74.2Confident47 Ų4758.8 Ų58.833%0.32933%0.325SS..Hα-helixtrans-70.8-43.6178.3-570000111.6M530 I531 Q532 L538M530-S534 PolarHBondContact O-N 3.16Å; M530-S534 VanDerWaalsContact O-N 3.14Å; M530-S534 PolarHBondContact O-OG 3.26Å; I531-S534 PolarHBondContact O-N 2.95Å; I531-S534 WeakPolarHBondContact O-CB 3.21Å; I531-S534 WeakPolarHBondContact O-CA 3.26Å; Q532-S534 VanDerWaalsContact C-N 3.26Å; Q532-S534 PolarHBondContact O-N 3.46Å; S534-L538 PolarHBondContact O-N 3.28Å
535V77.7Confident71.9Confident16 Ų1660 Ų6010%0.09734%0.337CS..Hα-helixtrans-66.5-46.4178.9177.50000111.1M53 I56 L57 E60 I531 Q532 N537 L538 L539M53-V535 HydrophobicContact CE-CG2 3.71Å; I56-V535 HydrophobicContact CG2-CB 4.02Å; I56-V535 HydrophobicContact CG2-CG1 4.07Å; I56-V535 HydrophobicContact CG2-CG2 4.13Å; L57-V535 HydrophobicContact CD2-CG1 4.28Å; E60-V535 HydrophobicContact CG-CG1 4.15Å; I531-V535 HydrophobicContact CG2-CG2 4.23Å; I531-V535 WeakPolarHBondContact O-CG2 3.41Å; I531-V535 PolarHBondContact O-N 3.13Å; Q532-V535 PolarHBondContact O-N 2.91Å; V535-N537 VanDerWaalsContact C-N 3.31Å; V535-N537 PolarHBondContact O-N 3.27Å; V535-L538 PolarHBondContact O-N 3.37Å; V535-L538 WeakPolarHBondContact O-CB 3.29Å; V535-L538 WeakPolarHBondContact O-CA 3.48Å; V535-L538 VanDerWaalsContact O-CB 3.32Å; V535-L539 HydrophobicContact CG1-CD1 3.71Å; V535-L539 HydrophobicContact CG1-CG 4.31Å; V535-L539 PolarHBondContact O-N 3.12Å
536S76.7Confident69.8Low39 Ų3958.1 Ų58.127%0.27333%0.326SS..Hα-helixtrans-62.6-38.9-179.4-163.20000112.3E60 Q532 L538 H540E60-S536 WeakPolarHBondContact OE2-CA 3.15Å; E60-S536 WeakPolarHBondContact OE2-CB 3.33Å; E60-S536 PolarHBondContact OE2-OG 3.28Å; Q532-S536 PolarHBondContact O-N 2.9Å; Q532-S536 WeakPolarHBondContact O-CB 3.08Å; Q532-S536 VanDerWaalsContact O-CB 3.3Å; S536-L538 VanDerWaalsContact C-N 3.28Å; S536-L538 PolarHBondContact O-N 3.01Å; S536-H540 PolarHBondContact O-N 2.89Å
537N72.1Confident67.7Low78 Ų7858.6 Ų58.642%0.41733%0.329SS..Hα-helixtrans-65-30.1172.2-79.3-49.2000113.1N533 V535 K541N533-N537 WeakPolarHBondContact O-CB 3.41Å; N533-N537 VanDerWaalsContact O-CG 3.29Å; N533-N537 PolarHBondContact O-N 2.76Å; N533-N537 PolarHBondContact O-ND2 2.89Å; V535-N537 VanDerWaalsContact C-N 3.31Å; V535-N537 PolarHBondContact O-N 3.27Å; N537-K541 WeakPolarHBondContact OD1-CE 3.28Å; N537-K541 PolarHBondContact OD1-NZ 3.22Å
538L69.1Low65.4Low67 Ų6759.5 Ų59.535%0.35135%0.346SS..Hα-helixtrans-75-45.5178.3-168.976.6000111.3K215 L216 S534 V535 S536K215-L538 HydrophobicContact CB-CD1 3.52Å; K215-L538 HydrophobicContact CG-CD1 4.3Å; L216-L538 HydrophobicContact CD2-CD2 4.47Å; S534-L538 PolarHBondContact O-N 3.28Å; V535-L538 PolarHBondContact O-N 3.37Å; V535-L538 WeakPolarHBondContact O-CB 3.29Å; V535-L538 WeakPolarHBondContact O-CA 3.48Å; V535-L538 VanDerWaalsContact O-CB 3.32Å; S536-L538 VanDerWaalsContact C-N 3.28Å; S536-L538 PolarHBondContact O-N 3.01Å
539L68.7Low62.8Low40 Ų4062.4 Ų62.421%0.20936%0.358CS..Hα-helixtrans-81.2-52.9-173.2-66.4174.3000112.8E60 V535 M543E60-L539 HydrophobicContact CB-CD1 3.48Å; E60-L539 VanDerWaalsContact CB-CD1 3.48Å; E60-L539 HydrophobicContact CG-CD1 4.12Å; V535-L539 HydrophobicContact CG1-CD1 3.71Å; V535-L539 HydrophobicContact CG1-CG 4.31Å; V535-L539 PolarHBondContact O-N 3.12Å; L539-M543 HydrophobicContact CD2-CE 3.7Å; L539-M543 HydrophobicContact CB-CE 4.5Å
540H65.6Low60.4Low69 Ų6971.1 Ų71.132%0.31938%0.382SS..THydrogen-bonded Turntrans-83.8-32.6-168.1-71.7-65.3000114.8E60 S536 Q542E60-H540 IonicContact OE2-CD2 3.76Å; E60-H540 PolarHBondContact OE2-CD2 2.88Å; E60-H540 IonicContact OE2-NE2 3.69Å; E60-H540 PolarHBondContact OE2-NE2 3.43Å; E60-H540 VanDerWaalsContact OE2-NE2 3.07Å; S536-H540 PolarHBondContact O-N 2.89Å; H540-Q542 VanDerWaalsContact C-N 3.33Å; H540-Q542 PolarHBondContact O-N 3.44Å
541K57.5Low59.5Low134 Ų13471.4 Ų71.458%0.58339%0.385SS*.THydrogen-bonded Turntrans-78.2-15.1-177.2-77.2-178.4176.3166.70114N537N537-K541 WeakPolarHBondContact OD1-CE 3.28Å; N537-K541 PolarHBondContact OD1-NZ 3.22Å
542Q53.7Low58.4Low78 Ų7873.8 Ų73.836%0.36440%0.398SS..THydrogen-bonded Turntrans-128.1-27.6-162.2-61.7-67.5-78.500114.6H540 A544 S545 S546H540-Q542 VanDerWaalsContact C-N 3.33Å; H540-Q542 PolarHBondContact O-N 3.44Å; Q542-A544 PolarHBondContact O-N 3.13Å; Q542-S545 PolarHBondContact O-N 3.15Å; Q542-S545 PolarHBondContact O-OG 3.36Å; Q542-S546 PolarHBondContact O-N 2.95Å
543M48.9Very low57.1Low48 Ų4875.2 Ų75.224%0.23641%0.407CS..SBendtrans-70.2-21.1165.4-68.6-155.5-96.100111.9F64 L539 S546F64-M543 HydrophobicContact CD2-CE 3.87Å; F64-M543 HydrophobicContact CE2-CB 4.1Å; F64-M543 HydrophobicContact CE2-CE 3.33Å; F64-M543 HydrophobicContact CE2-CG 4.42Å; F64-M543 HydrophobicContact CE2-SD 3.58Å; F64-M543 VanDerWaalsContact CE2-SD 3.58Å; F64-M543 HydrophobicContact CZ-CE 4.19Å; F64-M543 HydrophobicContact CZ-SD 3.93Å; L539-M543 HydrophobicContact CD2-CE 3.7Å; L539-M543 HydrophobicContact CB-CE 4.5Å; M543-S546 PolarHBondContact O-OG 3.34Å; M543-S546 VanDerWaalsContact O-OG 3.12Å
544A46.6Very low55.7Low59 Ų5973.5 Ų73.549%0.48840%0.399SS..SBendtrans-76.1-29.7170.300000113.3Q542Q542-A544 PolarHBondContact O-N 3.13Å
545S44.2Very low54.5Low58 Ų5875.1 Ų75.141%0.40640%0.403SS..G310 helixtrans-89-4.5-178.970.10000113.5Q542 N547Q542-S545 PolarHBondContact O-N 3.15Å; Q542-S545 PolarHBondContact O-OG 3.36Å; S545-N547 PolarHBondContact O-N 3.34Å
546S44.5Very low52.9Low14 Ų1479.1 Ų79.110%0.09842%0.424CS..G310 helixtrans-72.2-12.6-178.262.60000114.9Q542 M543Q542-S546 PolarHBondContact O-N 2.95Å; M543-S546 PolarHBondContact O-OG 3.34Å; M543-S546 VanDerWaalsContact O-OG 3.12Å
547N45.1Very low51.2Low36 Ų3681.9 Ų81.919%0.19343%0.434CS..G310 helixtrans-120.711.1-166-61-1.2000113.4Y68 S545 D549Y68-N547 PolarHBondContact O-ND2 3.41Å; S545-N547 PolarHBondContact O-N 3.34Å; N547-D549 VanDerWaalsContact C-N 3.29Å
548A37.1Very low49.6Very low88 Ų8882.2 Ų82.273%0.72744%0.436SS*.THydrogen-bonded Turntrans-79.8-13171.800000113.1
549D31.1Very low48Very low145 Ų14583.5 Ų83.578%0.77544%0.443SS*.THydrogen-bonded Turntrans-104.913.2-177.2-72.5-27.8000113.9N547N547-D549 VanDerWaalsContact C-N 3.29Å
550Y32.6Very low46.1Very low233 Ų23387.5 Ų87.591%0.91446%0.464SS*.  trans-142.70173-74.1-80.9000110.1

Retrieved 550 of 550 residues in 143.7 ms (Link to these results)

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