A0A060D220_MAIZE Loading...

AP2-EREBP transcription factor

AlphaFold DB , UniProt , Accession A0A060D220, Species MAIZE (Zea mays, Maize), Gene EREB38, Length 321 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.5Very low51.5Low208 Ų208163.6 Ų163.6100%1.02578%0.779SS**  0174.40-74.164.3172.100108.9
2E40.2Very low52.9Low153 Ų153154.8 Ų154.872%0.71574%0.735SS**  trans59.639.9175.4-65.664.6-110.900119.5Y4E2-Y4 PolarHBondContact O-N 3.47Å; E2-Y4 VanDerWaalsContact O-N 3.13Å
3S45.7Very low53.8Low127 Ų127146.5 Ų146.589%0.88872%0.716SS**  trans-83.543.4163.4-67.10000113.2G5S3-G5 PolarHBondContact O-N 3.45Å
4Y46.8Very low54.2Low202 Ų202144.8 Ų144.879%0.79272%0.721SS**  trans-72.282.2170.4-73.8-72.1000109.6E2 R6E2-Y4 PolarHBondContact O-N 3.47Å; E2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-R6 PolarHBondContact O-N 3.18Å; Y4-R6 VanDerWaalsContact O-N 3.16Å
5G47.3Very low54.6Low59 Ų59138.8 Ų138.861%0.60870%0.695SS**  trans-49.7122.5-178.600000110.9S3 K7S3-G5 PolarHBondContact O-N 3.45Å; G5-K7 PolarHBondContact O-N 3.17Å
6R49.9Very low54.8Low237 Ų237145 Ų14589%0.89471%0.708SS**  trans-42107.7-179.2-75.1-168.5-76.1-161.5-4.9109.3Y4 R8Y4-R6 PolarHBondContact O-N 3.18Å; Y4-R6 VanDerWaalsContact O-N 3.16Å; R6-R8 VanDerWaalsContact C-N 3.32Å; R6-R8 WeakPolarHBondContact O-CG 3.24Å; R6-R8 PolarHBondContact O-N 3Å
7K53.8Low55.3Low149 Ų149140.9 Ų140.965%0.64871%0.713SS**  trans-61.394.3-172.4-61.2-173.7-174.6177.90107.8G5 A9 F80G5-K7 PolarHBondContact O-N 3.17Å; K7-A9 PolarHBondContact O-N 3.36Å; K7-F80 HydrophobicContact CB-CZ 4.49Å; K7-F80 HydrophobicContact CD-CD2 4.35Å; K7-F80 HydrophobicContact CD-CE2 3.37Å; K7-F80 HydrophobicContact CD-CZ 3.8Å
8R56Low56.1Low237 Ų237144.8 Ų144.889%0.89472%0.724SS**  trans-60.9123.3-168.8-66.7-172-180-151.11.4108.1R6 W10R6-R8 VanDerWaalsContact C-N 3.32Å; R6-R8 WeakPolarHBondContact O-CG 3.24Å; R6-R8 PolarHBondContact O-N 3Å; R8-W10 PolarHBondContact O-N 3.47Å; R8-W10 VanDerWaalsContact O-N 3.08Å
9A58.9Low57.3Low84 Ų84138.5 Ų138.569%0.69470%0.699SS**  trans-50.6121.1169.300000108K7 K11K7-A9 PolarHBondContact O-N 3.36Å; A9-K11 PolarHBondContact O-N 3.05Å
10W65.8Low58.6Low158 Ų158131.9 Ų131.960%0.59867%0.667SS**  trans-65.2102.9-178.2173.1-86.1000108.3R8 R29R8-W10 PolarHBondContact O-N 3.47Å; R8-W10 VanDerWaalsContact O-N 3.08Å; W10-R29 HydrophobicContact CB-CG 4.49Å; W10-R29 HydrophobicContact CD2-CB 4.37Å; W10-R29 HydrophobicContact CD2-CG 3.54Å; W10-R29 HydrophobicContact CE3-CG 3.93Å; W10-R29 HydrophobicContact CG-CB 4.17Å; W10-R29 HydrophobicContact CG-CG 3.78Å; W10-R29 HydrophobicContact CH2-CG 4.44Å; W10-R29 HydrophobicContact CZ2-CG 4.12Å; W10-R29 HydrophobicContact CZ3-CG 4.35Å
11K64.4Low59.8Low186 Ų186130.7 Ų130.781%0.80967%0.669SS**PPolyproline II helixtrans-92.4116.1168-66.6-161.8174.3-163.70107.7A9 G13A9-K11 PolarHBondContact O-N 3.05Å; K11-G13 PolarHBondContact O-N 3.15Å; K11-G13 VanDerWaalsContact O-N 3.15Å
12K68.8Low62.1Low58 Ų58125.7 Ų125.725%0.25264%0.643SS.*PPolyproline II helixtrans-58.8118.5169-167.4174.4-172177.20107.3T15 N23 C26K12-T15 HydrophobicContact CD-CG2 4.46Å; K12-T15 HydrophobicContact CG-CG2 4.19Å; K12-N23 PolarHBondContact NZ-O 3.33Å; K12-N23 PolarHBondContact NZ-OD1 2.94Å; K12-C26 WeakPolarHBondContact CD-O 3.47Å; K12-C26 WeakPolarHBondContact CE-O 3.42Å; K12-C26 PolarHBondContact NZ-O 2.98Å
13G64.4Low64.3Low47 Ų47118.9 Ų118.949%0.48561%0.611SS.*PPolyproline II helixtrans-61.4158.2173.900000110.3K11 T15K11-G13 PolarHBondContact O-N 3.15Å; K11-G13 VanDerWaalsContact O-N 3.15Å; G13-T15 WeakPolarHBondContact O-CG2 3.27Å; G13-T15 PolarHBondContact O-N 2.92Å
14P59.6Low66Low122 Ų122116.8 Ų116.879%0.79260%0.602SS**  trans-59.198.3-177.6-23.634.1000112R16P14-R16 PolarHBondContact O-N 3.31Å
15T59.4Low67.8Low55 Ų55111.2 Ų111.234%0.33760%0.597SS.*  trans-80.351.2-17953.10000112K12 G13 G17K12-T15 HydrophobicContact CD-CG2 4.46Å; K12-T15 HydrophobicContact CG-CG2 4.19Å; G13-T15 WeakPolarHBondContact O-CG2 3.27Å; G13-T15 PolarHBondContact O-N 2.92Å; T15-G17 PolarHBondContact O-N 3.4Å
16R57.7Low69.7Low238 Ų238108.8 Ų108.890%0.89857%0.571SS**  trans-78.7113.8170.1-61.2-166.1-144.7-175.27.3109.3P14P14-R16 PolarHBondContact O-N 3.31Å
17G63.1Low71.5Confident76 Ų76105.7 Ų105.778%0.78457%0.567SS**SBendtrans114.9-2.1155.500000119.4T15T15-G17 PolarHBondContact O-N 3.4Å
18K69.7Low73.4Confident210 Ų210101.5 Ų101.591%0.91355%0.547SS*.SBendtrans-141.443.9-178.6-62.7-172-179.6-177.20114.7
19G80.5Confident75.1Confident25 Ų2592 Ų9226%0.25851%0.511SS..SBendtrans-161.5178.6176.900000112.6Q33G19-Q33 VanDerWaalsContact CA-O 3.27Å; G19-Q33 WeakPolarHBondContact CA-O 3.45Å
20G83.4Confident76.7Confident6 Ų688.7 Ų88.76%0.06249%0.486CS..  trans-65.3164.8175.300000113.3Q22 N23 Q33 R34G20-Q22 VanDerWaalsContact C-N 3.31Å; G20-Q22 PolarHBondContact O-N 3.41Å; G20-N23 WeakPolarHBondContact O-CB 3.37Å; G20-N23 PolarHBondContact O-N 3.08Å; G20-Q33 VanDerWaalsContact CA-OE1 3.31Å; G20-Q33 PolarHBondContact N-O 3Å; G20-Q33 PolarHBondContact O-OE1 3.46Å; G20-R34 VanDerWaalsContact CA-O 3.3Å; G20-R34 WeakPolarHBondContact CA-O 3.39Å; G20-R34 PolarHBondContact N-O 3.42Å
21P82.7Confident78Confident107 Ų10781.5 Ų81.570%0.69546%0.459SS*.G310 helixtrans-61.3-32.7-170.518.5-27.5000114.1N23P21-N23 VanDerWaalsContact C-N 3.33Å
22Q85.6Confident79.4Confident103 Ų10377 Ų7748%0.48144%0.437SS..G310 helixtrans-83-5177.8-63.778.727.100113.5G20 A24 A25 C26 Q33 W39G20-Q22 VanDerWaalsContact C-N 3.31Å; G20-Q22 PolarHBondContact O-N 3.41Å; Q22-A24 PolarHBondContact O-N 3.02Å; Q22-A25 PolarHBondContact O-N 3.33Å; Q22-A25 VanDerWaalsContact O-N 3.11Å; Q22-C26 PolarHBondContact O-N 3.26Å; Q22-Q33 VanDerWaalsContact OE1-OE1 3.14Å; Q22-W39 HydrophobicContact CB-CH2 3.81Å; Q22-W39 HydrophobicContact CB-CZ2 3.69Å
23N86.3Confident80.6Confident10 Ų1074.6 Ų74.65%0.05343%0.427CS..G310 helixtrans-60.8-29.8-178.4-168.730.9000113.1K12 G20 P21 Q33K12-N23 PolarHBondContact NZ-O 3.33Å; K12-N23 PolarHBondContact NZ-OD1 2.94Å; G20-N23 WeakPolarHBondContact O-CB 3.37Å; G20-N23 PolarHBondContact O-N 3.08Å; P21-N23 VanDerWaalsContact C-N 3.33Å; N23-Q33 HydrophobicContact CB-CB 3.94Å; N23-Q33 PolarHBondContact OD1-N 2.93Å
24A82.5Confident81.9Confident84 Ų8478.4 Ų78.469%0.69443%0.427SS*.G310 helixtrans-70.1-30.7178.100000113.4Q22Q22-A24 PolarHBondContact O-N 3.02Å
25A84.6Confident83.4Confident84 Ų8478.2 Ų78.269%0.69442%0.424SS*.THydrogen-bonded Turntrans-88.1-15.6179.400000113.6Q22 E27Q22-A25 PolarHBondContact O-N 3.33Å; Q22-A25 VanDerWaalsContact O-N 3.11Å; A25-E27 PolarHBondContact O-N 3.49Å
26C86.5Confident84.9Confident9 Ų985.4 Ų85.46%0.06145%0.445CS..  trans-79.1112.5180175.30000111.8K12 Q22 W39K12-C26 WeakPolarHBondContact CD-O 3.47Å; K12-C26 WeakPolarHBondContact CE-O 3.42Å; K12-C26 PolarHBondContact NZ-O 2.98Å; Q22-C26 PolarHBondContact O-N 3.26Å; C26-W39 HydrophobicContact CB-CH2 3.58Å; C26-W39 HydrophobicContact CB-CZ3 3.43Å; C26-W39 VanDerWaalsContact CB-CZ3 3.43Å
27E88.5Confident86.5Confident171 Ų17175.5 Ų75.580%0.79942%0.417SS*.  trans-87.7-14.7-178.9-58.1-170.9165.400113.9A25A25-E27 PolarHBondContact O-N 3.49Å
28Y92.6Very high88Confident61 Ų6176.7 Ų76.724%0.23940%0.4CS..  trans-62.5135-174-54.4-49.8000113.6A60 E61 A64 N82 L83Y28-A60 HydrophobicContact CD2-CB 4.01Å; Y28-A60 WeakPolarHBondContact CD2-O 3.42Å; Y28-A60 HydrophobicContact CE2-CB 3.94Å; Y28-E61 HydrophobicContact CE2-CG 4.22Å; Y28-A64 HydrophobicContact CD1-CB 4.04Å; Y28-A64 HydrophobicContact CD2-CB 3.74Å; Y28-A64 HydrophobicContact CE2-CB 4.28Å; Y28-A64 HydrophobicContact CG-CB 3.62Å; Y28-N82 HydrophobicContact CD1-CB 3.96Å; Y28-L83 HydrophobicContact CE1-CD2 3.76Å
29R91.6Very high89.2Confident37 Ų3767.8 Ų67.814%0.1436%0.361CS..THydrogen-bonded Turntrans-68.8137.5176.3-172.2170.391.5-126.1-1.3110.4W10 V31 Y67 F80 N82W10-R29 HydrophobicContact CB-CG 4.49Å; W10-R29 HydrophobicContact CD2-CB 4.37Å; W10-R29 HydrophobicContact CD2-CG 3.54Å; W10-R29 HydrophobicContact CE3-CG 3.93Å; W10-R29 HydrophobicContact CG-CB 4.17Å; W10-R29 HydrophobicContact CG-CG 3.78Å; W10-R29 HydrophobicContact CH2-CG 4.44Å; W10-R29 HydrophobicContact CZ2-CG 4.12Å; W10-R29 HydrophobicContact CZ3-CG 4.35Å; R29-V31 PolarHBondContact O-N 2.96Å; R29-Y67 HydrophobicContact CB-CE1 4.13Å; R29-Y67 HydrophobicContact CG-CE1 4.05Å; R29-Y67 PolarHBondContact NE-OH 3.41Å; R29-Y67 PolarHBondContact NH2-OH 3Å; R29-Y67 VanDerWaalsContact O-CD1 3.32Å; R29-Y67 WeakPolarHBondContact O-CD1 3.32Å; R29-F80 PolarHBondContact NH1-O 3.12Å; R29-F80 PolarHBondContact NH2-O 3.06Å; R29-N82 VanDerWaalsContact CB-OD1 3.26Å; R29-N82 WeakPolarHBondContact CB-OD1 3Å; R29-N82 PolarHBondContact N-OD1 2.72Å; R29-N82 PolarHBondContact O-ND2 3.42Å
30G92.6Very high89.9Confident16 Ų1666.6 Ų66.617%0.16535%0.349CS..THydrogen-bonded Turntrans74-4.7179.500000115.2A41 E42G30-A41 WeakPolarHBondContact O-CA 3.29Å; G30-E42 WeakPolarHBondContact CA-O 3.17Å; G30-E42 PolarHBondContact O-N 2.9Å
31V94.2Very high90.5Very high6 Ų666.3 Ų66.34%0.03635%0.346CS..EExtended strand (participates in β ladder)trans-98.6133.5-179.9-179.10000110.6R29 W39 V40 A63 A64R29-V31 PolarHBondContact O-N 2.96Å; V31-W39 HydrophobicContact CG1-CD2 4.5Å; V31-W39 HydrophobicContact CG1-CE3 3.61Å; V31-W39 HydrophobicContact CG1-CZ3 4.19Å; V31-V40 WeakPolarHBondContact CA-O 3.48Å; V31-A63 HydrophobicContact CB-CB 4.44Å; V31-A63 HydrophobicContact CG1-CB 3.75Å; V31-A63 HydrophobicContact CG2-CB 3.85Å; V31-A64 HydrophobicContact CG2-CB 4.16Å
32R93.2Very high91.1Very high92 Ų9262.6 Ų62.635%0.34732%0.319SS..EExtended strand (participates in β ladder)trans-141.5151.1172.562.9178.7174.594.1-1.8111.2V40 E42R32-V40 HydrophobicContact CG-CB 4.2Å; R32-V40 PolarHBondContact N-O 3.27Å; R32-V40 PolarHBondContact O-N 3.37Å; R32-E42 IonicContact CZ-OE2 3.49Å; R32-E42 VanDerWaalsContact CZ-OE2 3.24Å; R32-E42 IonicContact NE-OE2 3.48Å; R32-E42 PolarHBondContact NE-OE2 2.76Å; R32-E42 IonicContact NH2-OE2 2.74Å; R32-E42 PolarHBondContact NH2-OE2 3.48Å
33Q94.1Very high91.5Very high7 Ų757.9 Ų57.93%0.03330%0.297CS..EExtended strand (participates in β ladder)trans-96.5131.3171.5-151.6-174.621.300110.8G19 G20 Q22 N23 G37 W39G19-Q33 VanDerWaalsContact CA-O 3.27Å; G19-Q33 WeakPolarHBondContact CA-O 3.45Å; G20-Q33 VanDerWaalsContact CA-OE1 3.31Å; G20-Q33 PolarHBondContact N-O 3Å; G20-Q33 PolarHBondContact O-OE1 3.46Å; Q22-Q33 VanDerWaalsContact OE1-OE1 3.14Å; N23-Q33 HydrophobicContact CB-CB 3.94Å; N23-Q33 PolarHBondContact OD1-N 2.93Å; Q33-G37 VanDerWaalsContact CG-O 3.25Å; Q33-G37 WeakPolarHBondContact CG-O 3.39Å; Q33-G37 PolarHBondContact NE2-O 3.17Å; Q33-W39 HydrophobicContact CB-CD2 4.29Å; Q33-W39 HydrophobicContact CB-CE3 3.86Å; Q33-W39 HydrophobicContact CB-CH2 4.09Å; Q33-W39 HydrophobicContact CB-CZ2 4.48Å; Q33-W39 HydrophobicContact CB-CZ3 3.76Å; Q33-W39 HydrophobicContact CG-CD2 4.07Å; Q33-W39 HydrophobicContact CG-CE3 4.17Å; Q33-W39 HydrophobicContact CG-CH2 4.32Å; Q33-W39 HydrophobicContact CG-CZ2 4.22Å; Q33-W39 HydrophobicContact CG-CZ3 4.3Å
34R92.5Very high91.9Very high127 Ų12763.5 Ų63.548%0.47932%0.318SS..  trans-74.5160.9169.7-162.2179.8-66.6-154.21.9109.6G20 W36 G37 K38G20-R34 VanDerWaalsContact CA-O 3.3Å; G20-R34 WeakPolarHBondContact CA-O 3.39Å; G20-R34 PolarHBondContact N-O 3.42Å; R34-W36 HydrophobicContact CG-CB 4.45Å; R34-W36 PolarHBondContact O-N 3.13Å; R34-G37 PolarHBondContact O-N 2.84Å; R34-K38 PolarHBondContact N-O 2.86Å
35T91.1Very high92.1Very high119 Ų11961.4 Ų61.473%0.7329%0.293SS*.THydrogen-bonded Turntrans-54.6-30.1170.245.60000113G37T35-G37 PolarHBondContact O-N 2.96Å; T35-G37 VanDerWaalsContact O-N 3.16Å
36W89.1Confident92.1Very high205 Ų20560.6 Ų60.678%0.77728%0.281SS*.THydrogen-bonded Turntrans-681.6170.9-173.5-112.3000114.9R34 K38R34-W36 HydrophobicContact CG-CB 4.45Å; R34-W36 PolarHBondContact O-N 3.13Å; W36-K38 PolarHBondContact O-N 2.82Å; W36-K38 VanDerWaalsContact O-N 3.09Å
37G91.7Very high92.1Very high30 Ų3068.6 Ų68.631%0.30932%0.323SS..SBendtrans80.2-21.3178.200000115.7Q33 R34 T35Q33-G37 VanDerWaalsContact CG-O 3.25Å; Q33-G37 WeakPolarHBondContact CG-O 3.39Å; Q33-G37 PolarHBondContact NE2-O 3.17Å; R34-G37 PolarHBondContact O-N 2.84Å; T35-G37 PolarHBondContact O-N 2.96Å; T35-G37 VanDerWaalsContact O-N 3.16Å
38K94.7Very high92.1Very high101 Ų10165.8 Ų65.844%0.43931%0.309SS..  trans-64.3141.6173.5-67.6-69.5-176.6179.90112.2R34 W36R34-K38 PolarHBondContact N-O 2.86Å; W36-K38 PolarHBondContact O-N 2.82Å; W36-K38 VanDerWaalsContact O-N 3.09Å
39W95.6Very high91.9Very high24 Ų2474.3 Ų74.39%0.09134%0.34CS..EExtended strand (participates in β ladder)trans-82147.1172.1-62.993.5000110.2Q22 C26 V31 Q33 S56 F57 A58 A60 A63Q22-W39 HydrophobicContact CB-CH2 3.81Å; Q22-W39 HydrophobicContact CB-CZ2 3.69Å; C26-W39 HydrophobicContact CB-CH2 3.58Å; C26-W39 HydrophobicContact CB-CZ3 3.43Å; C26-W39 VanDerWaalsContact CB-CZ3 3.43Å; V31-W39 HydrophobicContact CG1-CD2 4.5Å; V31-W39 HydrophobicContact CG1-CE3 3.61Å; V31-W39 HydrophobicContact CG1-CZ3 4.19Å; Q33-W39 HydrophobicContact CB-CD2 4.29Å; Q33-W39 HydrophobicContact CB-CE3 3.86Å; Q33-W39 HydrophobicContact CB-CH2 4.09Å; Q33-W39 HydrophobicContact CB-CZ2 4.48Å; Q33-W39 HydrophobicContact CB-CZ3 3.76Å; Q33-W39 HydrophobicContact CG-CD2 4.07Å; Q33-W39 HydrophobicContact CG-CE3 4.17Å; Q33-W39 HydrophobicContact CG-CH2 4.32Å; Q33-W39 HydrophobicContact CG-CZ2 4.22Å; Q33-W39 HydrophobicContact CG-CZ3 4.3Å; W39-S56 CarbonylContact O-C 3.42Å; W39-S56 WeakPolarHBondContact O-CA 3.42Å; W39-F57 HydrophobicContact CB-CB 4.4Å; W39-F57 PolarHBondContact N-O 3.35Å; W39-F57 VanDerWaalsContact N-O 3.16Å; W39-F57 PolarHBondContact O-N 3.14Å; W39-A58 VanDerWaalsContact CD1-O 3.32Å; W39-A60 HydrophobicContact CD2-CB 3.85Å; W39-A60 HydrophobicContact CE3-CB 3.99Å; W39-A60 HydrophobicContact CG-CB 4.5Å; W39-A60 HydrophobicContact CH2-CB 4.03Å; W39-A60 HydrophobicContact CZ2-CB 3.89Å; W39-A60 HydrophobicContact CZ3-CB 4.08Å; W39-A63 HydrophobicContact CB-CB 4.06Å
40V95.2Very high91.9Very high0 Ų076.6 Ų76.60%036%0.359CS..EExtended strand (participates in β ladder)trans-134130.6179.2176.80000107.9V31 R32V31-V40 WeakPolarHBondContact CA-O 3.48Å; R32-V40 HydrophobicContact CG-CB 4.2Å; R32-V40 PolarHBondContact N-O 3.27Å; R32-V40 PolarHBondContact O-N 3.37Å
41A96.1Very high91.9Very high0 Ų082.6 Ų82.60%038%0.376CS..EExtended strand (participates in β ladder)trans-104.5136.3170.700000110.2G30 L54 G55 F57 A63G30-A41 WeakPolarHBondContact O-CA 3.29Å; A41-L54 HydrophobicContact CB-CB 4.1Å; A41-L54 HydrophobicContact CB-CD1 4.2Å; A41-L54 WeakPolarHBondContact O-CB 3.31Å; A41-L54 PolarHBondContact O-N 2.87Å; A41-G55 PolarHBondContact N-O 3.16Å; A41-F57 HydrophobicContact CB-CD2 4.25Å; A41-F57 HydrophobicContact CB-CE2 3.78Å; A41-A63 HydrophobicContact CB-CB 4.23Å; A41-A63 WeakPolarHBondContact CB-O 3.26Å
42E95.4Very high91.9Very high28 Ų2886 Ų8613%0.13139%0.394CS..EExtended strand (participates in β ladder)trans-145140.5176.754.2-179.2-114.800110.6G30 R32 R51 L52 Y67G30-E42 WeakPolarHBondContact CA-O 3.17Å; G30-E42 PolarHBondContact O-N 2.9Å; R32-E42 IonicContact CZ-OE2 3.49Å; R32-E42 VanDerWaalsContact CZ-OE2 3.24Å; R32-E42 IonicContact NE-OE2 3.48Å; R32-E42 PolarHBondContact NE-OE2 2.76Å; R32-E42 IonicContact NH2-OE2 2.74Å; R32-E42 PolarHBondContact NH2-OE2 3.48Å; E42-R51 WeakPolarHBondContact OE1-CD 3.23Å; E42-R51 IonicContact OE1-CZ 2.76Å; E42-R51 IonicContact OE1-NE 2.68Å; E42-R51 IonicContact OE1-NH1 3.55Å; E42-R51 PolarHBondContact OE1-NH1 3.13Å; E42-L52 CarbonylContact C-O 3.6Å; E42-L52 VanDerWaalsContact CA-O 3.23Å; E42-L52 WeakPolarHBondContact CA-O 3.41Å; E42-Y67 WeakPolarHBondContact O-CD2 3.44Å; E42-Y67 VanDerWaalsContact O-CE2 3.31Å; E42-Y67 WeakPolarHBondContact O-CE2 3.28Å
43I94.1Very high92Very high4 Ų489.8 Ų89.82%0.02141%0.408CS..EExtended strand (participates in β ladder)trans-117.4150.3179.5-166.7163.8000111.3R51 L52 L54 Y67 A70 A71 L74 Y75I43-R51 WeakPolarHBondContact O-CA 3.3Å; I43-L52 HydrophobicContact CG2-CB 3.8Å; I43-L52 HydrophobicContact CG2-CD1 4.22Å; I43-L52 HydrophobicContact CG2-CG 4.44Å; I43-L52 PolarHBondContact N-O 3.03Å; I43-L52 PolarHBondContact O-N 3.18Å; I43-L54 HydrophobicContact CB-CD1 4.16Å; I43-L54 HydrophobicContact CG2-CD1 4.16Å; I43-L54 HydrophobicContact CG2-CD2 3.86Å; I43-L54 HydrophobicContact CG2-CG 4.17Å; I43-Y67 HydrophobicContact CB-CD2 4.23Å; I43-Y67 HydrophobicContact CB-CE2 3.79Å; I43-Y67 HydrophobicContact CD1-CE2 4.14Å; I43-Y67 HydrophobicContact CG1-CE2 3.79Å; I43-A70 HydrophobicContact CD1-CB 4.07Å; I43-A70 HydrophobicContact CG2-CB 4.35Å; I43-A71 HydrophobicContact CD1-CB 4.06Å; I43-L74 HydrophobicContact CD1-CB 4.42Å; I43-L74 HydrophobicContact CD1-CD2 3.69Å; I43-L74 HydrophobicContact CG1-CD2 3.94Å; I43-Y75 HydrophobicContact CD1-CE2 4.14Å
44R93.4Very high92.1Very high129 Ų12992.1 Ų92.149%0.48742%0.42SS..EExtended strand (participates in β ladder)trans-114.6134.2173.3-74.2176.2154.6-149.2-22.6107.6R51 Y75R44-R51 HydrophobicContact CG-CG 4.11Å; R44-Y75 PolarHBondContact O-OH 3.29Å
45E88Confident92.3Very high39 Ų3986.8 Ų86.818%0.18241%0.405CS..  trans-81.4149.9171.4-53.7-169.3-149.900110.6K48 L52 L74E45-K48 HydrophobicContact CB-CB 4.12Å; E45-K48 HydrophobicContact CB-CD 4.37Å; E45-K48 HydrophobicContact CB-CG 4.21Å; E45-K48 HydrophobicContact CG-CD 4.33Å; E45-K48 IonicContact OE1-NZ 2.82Å; E45-K48 PolarHBondContact OE1-NZ 3.41Å; E45-K48 VanDerWaalsContact OE2-CD 3.29Å; E45-K48 WeakPolarHBondContact OE2-CD 3.42Å; E45-K48 WeakPolarHBondContact OE2-CE 3.41Å; E45-K48 IonicContact OE2-NZ 2.9Å; E45-K48 PolarHBondContact OE2-NZ 2.82Å; E45-L52 HydrophobicContact CG-CD1 4.37Å; E45-L74 HydrophobicContact CB-CD1 4.19Å; E45-L74 HydrophobicContact CB-CD2 4.36Å; E45-L74 HydrophobicContact CG-CD1 3.62Å; E45-L74 HydrophobicContact CG-CD2 4.06Å; E45-L74 HydrophobicContact CG-CG 4.49Å
46P83.6Confident92.5Very high68 Ų6884.5 Ų84.544%0.44239%0.394SS..SBendtrans-60147.7158.329.7-32.1000108.5K48 Y75P46-K48 PolarHBondContact O-N 3.22Å; P46-Y75 HydrophobicContact CG-CE1 4.14Å
47N86.9Confident92.9Very high177 Ų17776.3 Ų76.395%0.94736%0.364SS*.SBendtrans69.8-31.6-179.4-43.9-34.7000116.7
48K88.6Confident93.1Very high112 Ų11278.1 Ų78.149%0.48738%0.376SS..  trans-87.2139.3176-53.9-172.1-171.1153.60112.5E45 P46E45-K48 HydrophobicContact CB-CB 4.12Å; E45-K48 HydrophobicContact CB-CD 4.37Å; E45-K48 HydrophobicContact CB-CG 4.21Å; E45-K48 HydrophobicContact CG-CD 4.33Å; E45-K48 IonicContact OE1-NZ 2.82Å; E45-K48 PolarHBondContact OE1-NZ 3.41Å; E45-K48 VanDerWaalsContact OE2-CD 3.29Å; E45-K48 WeakPolarHBondContact OE2-CD 3.42Å; E45-K48 WeakPolarHBondContact OE2-CE 3.41Å; E45-K48 IonicContact OE2-NZ 2.9Å; E45-K48 PolarHBondContact OE2-NZ 2.82Å; P46-K48 PolarHBondContact O-N 3.22Å
49R89.1Confident93.1Very high239 Ų23976.4 Ų76.490%0.90237%0.374SS*.  trans-77.1-24.8172.2179.3178.3-81-158.2-0.5112.6
50T91Very high93Very high86 Ų8676.2 Ų76.253%0.52838%0.378SS..  trans-65.7156.5-177.249.60000112.1
51R92.9Very high93Very high142 Ų14281.9 Ų81.954%0.53640%0.404SS..EExtended strand (participates in β ladder)trans-113.1132.8170.6-51.1-169.4-169.3-144.82.3107.8E42 I43 R44E42-R51 WeakPolarHBondContact OE1-CD 3.23Å; E42-R51 IonicContact OE1-CZ 2.76Å; E42-R51 IonicContact OE1-NE 2.68Å; E42-R51 IonicContact OE1-NH1 3.55Å; E42-R51 PolarHBondContact OE1-NH1 3.13Å; I43-R51 WeakPolarHBondContact O-CA 3.3Å; R44-R51 HydrophobicContact CG-CG 4.11Å
52L93.8Very high93Very high77 Ų7786 Ų8640%0.40342%0.423SS..EExtended strand (participates in β ladder)trans-88.8124.1170.2-57.5178.3000108.3E42 I43 E45E42-L52 CarbonylContact C-O 3.6Å; E42-L52 VanDerWaalsContact CA-O 3.23Å; E42-L52 WeakPolarHBondContact CA-O 3.41Å; I43-L52 HydrophobicContact CG2-CB 3.8Å; I43-L52 HydrophobicContact CG2-CD1 4.22Å; I43-L52 HydrophobicContact CG2-CG 4.44Å; I43-L52 PolarHBondContact N-O 3.03Å; I43-L52 PolarHBondContact O-N 3.18Å; E45-L52 HydrophobicContact CG-CD1 4.37Å
53W94.5Very high93Very high171 Ų17184.7 Ų84.765%0.64842%0.417SS*.EExtended strand (participates in β ladder)trans-82.4123.8171.8175.941.3000108.8G55W53-G55 PolarHBondContact NE1-O 3.08Å
54L96.1Very high93.1Very high56 Ų5684.5 Ų84.529%0.29342%0.416SS..EExtended strand (participates in β ladder)trans-95.5-17.5-175.2-59.4176.4000113.1A41 I43 Y67 A70A41-L54 HydrophobicContact CB-CB 4.1Å; A41-L54 HydrophobicContact CB-CD1 4.2Å; A41-L54 WeakPolarHBondContact O-CB 3.31Å; A41-L54 PolarHBondContact O-N 2.87Å; I43-L54 HydrophobicContact CB-CD1 4.16Å; I43-L54 HydrophobicContact CG2-CD1 4.16Å; I43-L54 HydrophobicContact CG2-CD2 3.86Å; I43-L54 HydrophobicContact CG2-CG 4.17Å; L54-Y67 HydrophobicContact CD1-CD2 4.14Å; L54-A70 HydrophobicContact CD1-CB 3.54Å; L54-A70 HydrophobicContact CD2-CB 3.56Å; L54-A70 HydrophobicContact CG-CB 4.21Å
55G96.5Very high93.1Very high15 Ų1582.4 Ų82.416%0.15541%0.414CS..EExtended strand (participates in β ladder)trans143.5-178.5-179.500000113.5A41 W53 F57A41-G55 PolarHBondContact N-O 3.16Å; W53-G55 PolarHBondContact NE1-O 3.08Å; G55-F57 VanDerWaalsContact C-CE2 3.44Å
56S96.9Very high93.5Very high71 Ų7181.7 Ų81.750%0.49742%0.415SS..EExtended strand (participates in β ladder)trans-128.1132.9172.359.10000110.3W39W39-S56 CarbonylContact O-C 3.42Å; W39-S56 WeakPolarHBondContact O-CA 3.42Å
57F97Very high94.1Very high33 Ų3378.9 Ų78.915%0.14540%0.396CS..EExtended strand (participates in β ladder)trans-125.9160.1-161.9-59.2-76.1000111.1W39 A41 G55 E62 A63 A66W39-F57 HydrophobicContact CB-CB 4.4Å; W39-F57 PolarHBondContact N-O 3.35Å; W39-F57 VanDerWaalsContact N-O 3.16Å; W39-F57 PolarHBondContact O-N 3.14Å; A41-F57 HydrophobicContact CB-CD2 4.25Å; A41-F57 HydrophobicContact CB-CE2 3.78Å; G55-F57 VanDerWaalsContact C-CE2 3.44Å; F57-E62 HydrophobicContact CB-CB 4.22Å; F57-E62 HydrophobicContact CB-CG 4.12Å; F57-E62 WeakPolarHBondContact CB-OE2 3.13Å; F57-E62 HydrophobicContact CD1-CB 4.46Å; F57-E62 HydrophobicContact CD1-CG 3.6Å; F57-E62 HydrophobicContact CE1-CG 4.43Å; F57-E62 HydrophobicContact CG-CG 4.15Å; F57-A63 HydrophobicContact CB-CB 4.02Å; F57-A63 HydrophobicContact CD2-CB 3.61Å; F57-A63 HydrophobicContact CE2-CB 4.46Å; F57-A63 HydrophobicContact CG-CB 4.04Å; F57-A66 HydrophobicContact CE1-CB 3.91Å; F57-A66 HydrophobicContact CE2-CB 3.81Å; F57-A66 HydrophobicContact CZ-CB 3.32Å
58A95.2Very high94.5Very high68 Ų6870.9 Ų70.956%0.56235%0.353SS*.SBendtrans-79.9-34.7178.800000111.6W39 E62W39-A58 VanDerWaalsContact CD1-O 3.32Å; A58-E62 PolarHBondContact N-OE2 2.84Å
59T95.3Very high94.7Very high66 Ų6669.5 Ų69.541%0.40535%0.348SS..SBendtrans-120.3162.3-178.575.60000112.6E61 E62 A63T59-E61 VanDerWaalsContact C-N 3.34Å; T59-E62 VanDerWaalsContact OG1-CB 3.23Å; T59-E62 WeakPolarHBondContact OG1-CB 3.49Å; T59-E62 PolarHBondContact OG1-N 3.17Å; T59-E62 VanDerWaalsContact OG1-N 3.1Å; T59-A63 PolarHBondContact O-N 2.85Å
60A94.3Very high95Very high20 Ų2058.9 Ų58.917%0.16531%0.311CS..Hα-helixtrans-70.3-32.7175.300000112.2Y28 W39 A64Y28-A60 HydrophobicContact CD2-CB 4.01Å; Y28-A60 WeakPolarHBondContact CD2-O 3.42Å; Y28-A60 HydrophobicContact CE2-CB 3.94Å; W39-A60 HydrophobicContact CD2-CB 3.85Å; W39-A60 HydrophobicContact CE3-CB 3.99Å; W39-A60 HydrophobicContact CG-CB 4.5Å; W39-A60 HydrophobicContact CH2-CB 4.03Å; W39-A60 HydrophobicContact CZ2-CB 3.89Å; W39-A60 HydrophobicContact CZ3-CB 4.08Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 3.42Å
61E94.6Very high95.1Very high119 Ų11954.8 Ų54.856%0.55629%0.286SS*.Hα-helixtrans-70.8-43.1179.9-66171.3-171.400111.9Y28 T59 A63 A64 L65Y28-E61 HydrophobicContact CE2-CG 4.22Å; T59-E61 VanDerWaalsContact C-N 3.34Å; E61-A63 VanDerWaalsContact C-N 3.34Å; E61-A63 PolarHBondContact O-N 2.77Å; E61-A64 CarbonylContact O-C 3.48Å; E61-A64 WeakPolarHBondContact O-CB 3.32Å; E61-A64 PolarHBondContact O-N 3.17Å; E61-A64 VanDerWaalsContact O-N 3.12Å; E61-L65 PolarHBondContact O-N 2.86Å
62E95.3Very high95Very high86 Ų8654.1 Ų54.140%0.40228%0.284SS..Hα-helixtrans-60.8-43.8174.3-173.4-168.7-168.200110.8F57 A58 T59 A64 L65 A66F57-E62 HydrophobicContact CB-CB 4.22Å; F57-E62 HydrophobicContact CB-CG 4.12Å; F57-E62 WeakPolarHBondContact CB-OE2 3.13Å; F57-E62 HydrophobicContact CD1-CB 4.46Å; F57-E62 HydrophobicContact CD1-CG 3.6Å; F57-E62 HydrophobicContact CE1-CG 4.43Å; F57-E62 HydrophobicContact CG-CG 4.15Å; A58-E62 PolarHBondContact N-OE2 2.84Å; T59-E62 VanDerWaalsContact OG1-CB 3.23Å; T59-E62 WeakPolarHBondContact OG1-CB 3.49Å; T59-E62 PolarHBondContact OG1-N 3.17Å; T59-E62 VanDerWaalsContact OG1-N 3.1Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 2.68Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 2.92Å; E62-A66 PolarHBondContact O-N 2.94Å
63A96Very high94.9Very high0 Ų059.4 Ų59.40%030%0.299CS..Hα-helixtrans-62.8-37.8172.900000112.7V31 W39 A41 F57 T59 E61 Y67V31-A63 HydrophobicContact CB-CB 4.44Å; V31-A63 HydrophobicContact CG1-CB 3.75Å; V31-A63 HydrophobicContact CG2-CB 3.85Å; W39-A63 HydrophobicContact CB-CB 4.06Å; A41-A63 HydrophobicContact CB-CB 4.23Å; A41-A63 WeakPolarHBondContact CB-O 3.26Å; F57-A63 HydrophobicContact CB-CB 4.02Å; F57-A63 HydrophobicContact CD2-CB 3.61Å; F57-A63 HydrophobicContact CE2-CB 4.46Å; F57-A63 HydrophobicContact CG-CB 4.04Å; T59-A63 PolarHBondContact O-N 2.85Å; E61-A63 VanDerWaalsContact C-N 3.34Å; E61-A63 PolarHBondContact O-N 2.77Å; A63-Y67 WeakPolarHBondContact O-CB 3.29Å; A63-Y67 PolarHBondContact O-N 3.45Å
64A95.1Very high94.8Very high0 Ų053.9 Ų53.90%028%0.281CS..Hα-helixtrans-69.2-37.4177.200000112.1Y28 V31 A60 E61 E62 Y67 D68 N82 L83Y28-A64 HydrophobicContact CD1-CB 4.04Å; Y28-A64 HydrophobicContact CD2-CB 3.74Å; Y28-A64 HydrophobicContact CE2-CB 4.28Å; Y28-A64 HydrophobicContact CG-CB 3.62Å; V31-A64 HydrophobicContact CG2-CB 4.16Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 3.42Å; E61-A64 CarbonylContact O-C 3.48Å; E61-A64 WeakPolarHBondContact O-CB 3.32Å; E61-A64 PolarHBondContact O-N 3.17Å; E61-A64 VanDerWaalsContact O-N 3.12Å; E62-A64 VanDerWaalsContact C-N 3.33Å; E62-A64 PolarHBondContact O-N 2.68Å; A64-Y67 PolarHBondContact O-N 2.78Å; A64-D68 WeakPolarHBondContact O-CB 3.42Å; A64-D68 PolarHBondContact O-N 3.09Å; A64-N82 HydrophobicContact CB-CB 4.02Å; A64-L83 HydrophobicContact CB-CD1 3.98Å; A64-L83 HydrophobicContact CB-CG 4.34Å
65L95Very high94.4Very high85 Ų8556 Ų5645%0.44529%0.286SS..Hα-helixtrans-62.2-48172.5-84.3174.3000112.2E61 E62 Y67 D68 E69 L83 L86E61-L65 PolarHBondContact O-N 2.86Å; E62-L65 WeakPolarHBondContact O-CB 3.32Å; E62-L65 PolarHBondContact O-N 2.92Å; L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 3.08Å; L65-D68 PolarHBondContact O-N 2.91Å; L65-D68 VanDerWaalsContact O-N 3.11Å; L65-E69 PolarHBondContact O-N 3.15Å; L65-L83 HydrophobicContact CD2-CD1 4.2Å; L65-L83 HydrophobicContact CG-CD1 3.9Å; L65-L86 HydrophobicContact CD1-CD1 4.35Å; L65-L86 HydrophobicContact CD2-CD1 3.62Å; L65-L86 HydrophobicContact CG-CD1 4.19Å
66A95.8Very high94.1Very high24 Ų2456.4 Ų56.420%0.19829%0.29CS..Hα-helixtrans-61.4-40.3176.400000111.8F57 E62 D68 A70F57-A66 HydrophobicContact CE1-CB 3.91Å; F57-A66 HydrophobicContact CE2-CB 3.81Å; F57-A66 HydrophobicContact CZ-CB 3.32Å; E62-A66 PolarHBondContact O-N 2.94Å; A66-D68 VanDerWaalsContact C-N 3.34Å; A66-A70 PolarHBondContact O-N 2.76Å; A66-A70 VanDerWaalsContact O-N 3.12Å
67Y95.7Very high93.6Very high10 Ų1058.1 Ų58.14%0.03930%0.299CS..Hα-helixtrans-61.6-41.7172.2-177-90.1000112.5R29 E42 I43 L54 A63 A64 L65 A70 A71 N82R29-Y67 HydrophobicContact CB-CE1 4.13Å; R29-Y67 HydrophobicContact CG-CE1 4.05Å; R29-Y67 PolarHBondContact NE-OH 3.41Å; R29-Y67 PolarHBondContact NH2-OH 3Å; R29-Y67 VanDerWaalsContact O-CD1 3.32Å; R29-Y67 WeakPolarHBondContact O-CD1 3.32Å; E42-Y67 WeakPolarHBondContact O-CD2 3.44Å; E42-Y67 VanDerWaalsContact O-CE2 3.31Å; E42-Y67 WeakPolarHBondContact O-CE2 3.28Å; I43-Y67 HydrophobicContact CB-CD2 4.23Å; I43-Y67 HydrophobicContact CB-CE2 3.79Å; I43-Y67 HydrophobicContact CD1-CE2 4.14Å; I43-Y67 HydrophobicContact CG1-CE2 3.79Å; L54-Y67 HydrophobicContact CD1-CD2 4.14Å; A63-Y67 WeakPolarHBondContact O-CB 3.29Å; A63-Y67 PolarHBondContact O-N 3.45Å; A64-Y67 PolarHBondContact O-N 2.78Å; L65-Y67 VanDerWaalsContact C-N 3.3Å; L65-Y67 PolarHBondContact O-N 3.08Å; Y67-A70 PolarHBondContact O-N 3.34Å; Y67-A71 HydrophobicContact CE1-CB 4.19Å; Y67-A71 VanDerWaalsContact O-CB 3.28Å; Y67-A71 WeakPolarHBondContact O-CB 3.47Å; Y67-A71 PolarHBondContact O-N 3.46Å; Y67-N82 VanDerWaalsContact CD1-ND2 3.32Å; Y67-N82 WeakPolarHBondContact CD1-ND2 3.28Å
68D94.9Very high93.1Very high8 Ų862.9 Ų62.94%0.04333%0.327CS..Hα-helixtrans-70.1-37.3-178-78.1-7.7000112.7A64 L65 A66 A71 R72 L81 N82 L83A64-D68 WeakPolarHBondContact O-CB 3.42Å; A64-D68 PolarHBondContact O-N 3.09Å; L65-D68 PolarHBondContact O-N 2.91Å; L65-D68 VanDerWaalsContact O-N 3.11Å; A66-D68 VanDerWaalsContact C-N 3.34Å; D68-A71 PolarHBondContact O-N 3.49Å; D68-R72 WeakPolarHBondContact O-CB 3.42Å; D68-R72 PolarHBondContact O-N 3.36Å; D68-L81 HydrophobicContact CB-CB 4.16Å; D68-L81 HydrophobicContact CB-CD1 4.23Å; D68-L81 HydrophobicContact CB-CD2 3.91Å; D68-L81 HydrophobicContact CB-CG 4.3Å; D68-L81 VanDerWaalsContact O-CD2 3.29Å; D68-L81 WeakPolarHBondContact O-CD2 3.33Å; D68-L81 WeakPolarHBondContact OD1-CA 3.23Å; D68-N82 WeakPolarHBondContact OD1-CB 3.31Å; D68-N82 PolarHBondContact OD1-N 2.84Å; D68-N82 PolarHBondContact OD1-ND2 2.95Å; D68-N82 WeakPolarHBondContact OD2-CB 3.48Å; D68-N82 PolarHBondContact OD2-N 2.74Å; D68-L83 PolarHBondContact OD2-N 2.91Å
69E94.1Very high92.8Very high83 Ų8359.9 Ų59.939%0.38830%0.301SS..Hα-helixtrans-62.1-48.6170.6173.9160.1-14000111.6L65 A71 R72 R73L65-E69 PolarHBondContact O-N 3.15Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 2.77Å; E69-R72 PolarHBondContact O-N 3.22Å; E69-R72 IonicContact OE1-NH2 3.48Å; E69-R72 PolarHBondContact OE1-NH2 3.32Å; E69-R73 WeakPolarHBondContact O-CG 3.31Å; E69-R73 PolarHBondContact O-N 2.82Å; E69-R73 IonicContact OE1-CZ 3.74Å; E69-R73 IonicContact OE1-NE 2.74Å; E69-R73 PolarHBondContact OE1-NE 3.49Å; E69-R73 IonicContact OE1-NH2 3.24Å; E69-R73 PolarHBondContact OE1-NH2 2.81Å; E69-R73 IonicContact OE2-NH2 2.84Å
70A94.5Very high92.4Very high16 Ų1662.4 Ų62.413%0.13231%0.307CS..Hα-helixtrans-61.6-40.7177.200000111.9I43 L54 A66 Y67 R72 R73 L74I43-A70 HydrophobicContact CD1-CB 4.07Å; I43-A70 HydrophobicContact CG2-CB 4.35Å; L54-A70 HydrophobicContact CD1-CB 3.54Å; L54-A70 HydrophobicContact CD2-CB 3.56Å; L54-A70 HydrophobicContact CG-CB 4.21Å; A66-A70 PolarHBondContact O-N 2.76Å; A66-A70 VanDerWaalsContact O-N 3.12Å; Y67-A70 PolarHBondContact O-N 3.34Å; A70-R72 PolarHBondContact O-N 3.21Å; A70-R73 PolarHBondContact O-N 3.47Å; A70-L74 VanDerWaalsContact O-CB 3.28Å; A70-L74 WeakPolarHBondContact O-CB 3.41Å; A70-L74 PolarHBondContact O-N 2.88Å
71A93.2Very high92.3Very high0 Ų063 Ų630%031%0.307CS..Hα-helixtrans-64-39177.200000112.3I43 Y67 D68 E69 L74 Y75 A79 L81I43-A71 HydrophobicContact CD1-CB 4.06Å; Y67-A71 HydrophobicContact CE1-CB 4.19Å; Y67-A71 VanDerWaalsContact O-CB 3.28Å; Y67-A71 WeakPolarHBondContact O-CB 3.47Å; Y67-A71 PolarHBondContact O-N 3.46Å; D68-A71 PolarHBondContact O-N 3.49Å; E69-A71 VanDerWaalsContact C-N 3.32Å; E69-A71 PolarHBondContact O-N 2.77Å; A71-L74 PolarHBondContact O-N 3.23Å; A71-Y75 HydrophobicContact CB-CD2 4.12Å; A71-Y75 WeakPolarHBondContact O-CB 3.5Å; A71-Y75 WeakPolarHBondContact O-CD2 3.28Å; A71-Y75 PolarHBondContact O-N 2.83Å; A71-A79 HydrophobicContact CB-CB 4.39Å; A71-A79 WeakPolarHBondContact O-CB 3.43Å; A71-L81 HydrophobicContact CB-CD2 3.85Å
72R92Very high92.2Very high129 Ų12958.9 Ų58.949%0.48729%0.289SS..Hα-helixtrans-64.8-39.1173.8176.6177.656.7107.92112.5D68 E69 A70 G76D68-R72 WeakPolarHBondContact O-CB 3.42Å; D68-R72 PolarHBondContact O-N 3.36Å; E69-R72 PolarHBondContact O-N 3.22Å; E69-R72 IonicContact OE1-NH2 3.48Å; E69-R72 PolarHBondContact OE1-NH2 3.32Å; A70-R72 PolarHBondContact O-N 3.21Å; R72-G76 CarbonylContact O-C 3.55Å; R72-G76 VanDerWaalsContact O-CA 3.31Å; R72-G76 WeakPolarHBondContact O-CA 3.31Å; R72-G76 PolarHBondContact O-N 2.97Å
73R91.4Very high91.9Very high188 Ų18856 Ų5671%0.70928%0.276SS*.Hα-helixtrans-68.1-37.4175.8-66.4176.1-171.9-164.85.1112.2E69 A70E69-R73 WeakPolarHBondContact O-CG 3.31Å; E69-R73 PolarHBondContact O-N 2.82Å; E69-R73 IonicContact OE1-CZ 3.74Å; E69-R73 IonicContact OE1-NE 2.74Å; E69-R73 PolarHBondContact OE1-NE 3.49Å; E69-R73 IonicContact OE1-NH2 3.24Å; E69-R73 PolarHBondContact OE1-NH2 2.81Å; E69-R73 IonicContact OE2-NH2 2.84Å; A70-R73 PolarHBondContact O-N 3.47Å
74L91.1Very high91.3Very high55 Ų5558.9 Ų58.929%0.28830%0.295SS..Hα-helixtrans-85.4-43.4-174.5-178.872.8000114.3I43 E45 A70 A71I43-L74 HydrophobicContact CD1-CB 4.42Å; I43-L74 HydrophobicContact CD1-CD2 3.69Å; I43-L74 HydrophobicContact CG1-CD2 3.94Å; E45-L74 HydrophobicContact CB-CD1 4.19Å; E45-L74 HydrophobicContact CB-CD2 4.36Å; E45-L74 HydrophobicContact CG-CD1 3.62Å; E45-L74 HydrophobicContact CG-CD2 4.06Å; E45-L74 HydrophobicContact CG-CG 4.49Å; A70-L74 VanDerWaalsContact O-CB 3.28Å; A70-L74 WeakPolarHBondContact O-CB 3.41Å; A70-L74 PolarHBondContact O-N 2.88Å; A71-L74 PolarHBondContact O-N 3.23Å
75Y89.6Confident90.6Very high101 Ų10166.6 Ų66.640%0.39633%0.331SS..Hα-helixtrans-102-3.9-175.1-61-75.7000113.4I43 R44 P46 A71I43-Y75 HydrophobicContact CD1-CE2 4.14Å; R44-Y75 PolarHBondContact O-OH 3.29Å; P46-Y75 HydrophobicContact CG-CE1 4.14Å; A71-Y75 HydrophobicContact CB-CD2 4.12Å; A71-Y75 WeakPolarHBondContact O-CB 3.5Å; A71-Y75 WeakPolarHBondContact O-CD2 3.28Å; A71-Y75 PolarHBondContact O-N 2.83Å
76G89Confident89.6Confident23 Ų2367.2 Ų67.224%0.23733%0.334CS..  trans84.2-169.2-17600000114.3R72 D78 A79R72-G76 CarbonylContact O-C 3.55Å; R72-G76 VanDerWaalsContact O-CA 3.31Å; R72-G76 WeakPolarHBondContact O-CA 3.31Å; R72-G76 PolarHBondContact O-N 2.97Å; G76-D78 VanDerWaalsContact C-N 3.29Å; G76-D78 PolarHBondContact O-N 3.27Å; G76-A79 WeakPolarHBondContact O-CB 3.32Å; G76-A79 PolarHBondContact O-N 3.45Å
77P87.2Confident88.1Confident106 Ų10671 Ų7169%0.68834%0.343SS*.THydrogen-bonded Turntrans-63.8-32.3-173.725.5-34.2000113.4A79 R87P77-A79 PolarHBondContact O-N 2.99Å; P77-R87 PolarHBondContact O-NH1 3.49Å
78D86.5Confident86.1Confident134 Ų13475.7 Ų75.772%0.71737%0.373SS*.THydrogen-bonded Turntrans-83.116.7-179.9-61.1-29.4000113.5G76 F80G76-D78 VanDerWaalsContact C-N 3.29Å; G76-D78 PolarHBondContact O-N 3.27Å; D78-F80 PolarHBondContact O-N 3.27Å
79A88.5Confident84.2Confident4 Ų479.4 Ų79.43%0.03340%0.399CS..  trans-54.6138.1172.500000111.2A71 G76 P77 L81 R87A71-A79 HydrophobicContact CB-CB 4.39Å; A71-A79 WeakPolarHBondContact O-CB 3.43Å; G76-A79 WeakPolarHBondContact O-CB 3.32Å; G76-A79 PolarHBondContact O-N 3.45Å; P77-A79 PolarHBondContact O-N 2.99Å; A79-L81 HydrophobicContact CB-CD2 3.76Å; A79-L81 HydrophobicContact CB-CG 4.47Å; A79-L81 PolarHBondContact O-N 2.83Å; A79-R87 PolarHBondContact O-NH1 3.38Å; A79-R87 PolarHBondContact O-NH2 3.43Å
80F87.2Confident82.2Confident120 Ų12078 Ų7853%0.52640%0.402SS..  trans-76.6115.7168.2-74.4-99.4000107.9K7 R29 D78K7-F80 HydrophobicContact CB-CZ 4.49Å; K7-F80 HydrophobicContact CD-CD2 4.35Å; K7-F80 HydrophobicContact CD-CE2 3.37Å; K7-F80 HydrophobicContact CD-CZ 3.8Å; R29-F80 PolarHBondContact NH1-O 3.12Å; R29-F80 PolarHBondContact NH2-O 3.06Å; D78-F80 PolarHBondContact O-N 3.27Å
81L92Very high80.2Confident32 Ų3280.5 Ų80.517%0.16842%0.422CS..  trans-108.8152.2-176.6-58.2-170000110.1D68 A71 A79 R87D68-L81 HydrophobicContact CB-CB 4.16Å; D68-L81 HydrophobicContact CB-CD1 4.23Å; D68-L81 HydrophobicContact CB-CD2 3.91Å; D68-L81 HydrophobicContact CB-CG 4.3Å; D68-L81 VanDerWaalsContact O-CD2 3.29Å; D68-L81 WeakPolarHBondContact O-CD2 3.33Å; D68-L81 WeakPolarHBondContact OD1-CA 3.23Å; A71-L81 HydrophobicContact CB-CD2 3.85Å; A79-L81 HydrophobicContact CB-CD2 3.76Å; A79-L81 HydrophobicContact CB-CG 4.47Å; A79-L81 PolarHBondContact O-N 2.83Å; L81-R87 HydrophobicContact CD1-CG 4.04Å
82N91.8Very high78.2Confident32 Ų3281.9 Ų81.917%0.17143%0.434CS..SBendtrans-69.4-39.7176.9-68.4-43.5000112.2Y28 R29 A64 Y67 D68 P84Y28-N82 HydrophobicContact CD1-CB 3.96Å; R29-N82 VanDerWaalsContact CB-OD1 3.26Å; R29-N82 WeakPolarHBondContact CB-OD1 3Å; R29-N82 PolarHBondContact N-OD1 2.72Å; R29-N82 PolarHBondContact O-ND2 3.42Å; A64-N82 HydrophobicContact CB-CB 4.02Å; Y67-N82 VanDerWaalsContact CD1-ND2 3.32Å; Y67-N82 WeakPolarHBondContact CD1-ND2 3.28Å; D68-N82 WeakPolarHBondContact OD1-CB 3.31Å; D68-N82 PolarHBondContact OD1-N 2.84Å; D68-N82 PolarHBondContact OD1-ND2 2.95Å; D68-N82 WeakPolarHBondContact OD2-CB 3.48Å; D68-N82 PolarHBondContact OD2-N 2.74Å; N82-P84 VanDerWaalsContact C-CD 3.41Å; N82-P84 WeakPolarHBondContact O-CD 3.46Å
83L89.7Confident76.3Confident26 Ų2677.6 Ų77.614%0.13643%0.426CS..  trans-117.568.6-172.8-61.7172.5000110.6Y28 A64 L65 D68 H85 L86Y28-L83 HydrophobicContact CE1-CD2 3.76Å; A64-L83 HydrophobicContact CB-CD1 3.98Å; A64-L83 HydrophobicContact CB-CG 4.34Å; L65-L83 HydrophobicContact CD2-CD1 4.2Å; L65-L83 HydrophobicContact CG-CD1 3.9Å; D68-L83 PolarHBondContact OD2-N 2.91Å; L83-H85 PolarHBondContact O-N 2.89Å; L83-L86 HydrophobicContact CB-CB 4.49Å; L83-L86 HydrophobicContact CB-CD1 3.87Å; L83-L86 HydrophobicContact CB-CG 4.14Å; L83-L86 HydrophobicContact CD1-CD1 3.79Å; L83-L86 HydrophobicContact CG-CD1 4.38Å; L83-L86 PolarHBondContact O-N 3.06Å; L83-L86 VanDerWaalsContact O-N 3.1Å
84P83.3Confident74.3Confident60 Ų6076.1 Ų76.139%0.3943%0.427SS..G310 helixtrans-60.9-29.2-175.326.3-35.4000113.2N82 L86 R87N82-P84 VanDerWaalsContact C-CD 3.41Å; N82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-L86 PolarHBondContact O-N 3.45Å; P84-R87 VanDerWaalsContact O-CB 3.29Å; P84-R87 WeakPolarHBondContact O-CB 3.13Å; P84-R87 VanDerWaalsContact O-CG 3.31Å; P84-R87 WeakPolarHBondContact O-CG 3.46Å; P84-R87 PolarHBondContact O-N 2.85Å; P84-R87 VanDerWaalsContact O-N 3.16Å
85H81.4Confident72.4Confident162 Ų16281.4 Ų81.475%0.7545%0.45SS*.G310 helixtrans-60.9-31.6177.7-51.8-63.3000112.8L83 R87L83-H85 PolarHBondContact O-N 2.89Å; H85-R87 VanDerWaalsContact C-N 3.28Å; H85-R87 PolarHBondContact O-N 3.22Å
86L73.7Confident70.5Confident99 Ų9986.5 Ų86.552%0.51847%0.469SS..G310 helixtrans-78.6-10.3-179-57.1-178.9000113L65 L83 P84 V88L65-L86 HydrophobicContact CD1-CD1 4.35Å; L65-L86 HydrophobicContact CD2-CD1 3.62Å; L65-L86 HydrophobicContact CG-CD1 4.19Å; L83-L86 HydrophobicContact CB-CB 4.49Å; L83-L86 HydrophobicContact CB-CD1 3.87Å; L83-L86 HydrophobicContact CB-CG 4.14Å; L83-L86 HydrophobicContact CD1-CD1 3.79Å; L83-L86 HydrophobicContact CG-CD1 4.38Å; L83-L86 PolarHBondContact O-N 3.06Å; L83-L86 VanDerWaalsContact O-N 3.1Å; P84-L86 PolarHBondContact O-N 3.45Å; L86-V88 PolarHBondContact O-N 2.9Å
87R62.6Low68.8Low102 Ų10291 Ų9139%0.38549%0.486SS..Hα-helixtrans-62.1-27.5176.4-64.7-175.4-165.1-135.710.2113.5P77 A79 L81 P84 H85 S89P77-R87 PolarHBondContact O-NH1 3.49Å; A79-R87 PolarHBondContact O-NH1 3.38Å; A79-R87 PolarHBondContact O-NH2 3.43Å; L81-R87 HydrophobicContact CD1-CG 4.04Å; P84-R87 VanDerWaalsContact O-CB 3.29Å; P84-R87 WeakPolarHBondContact O-CB 3.13Å; P84-R87 VanDerWaalsContact O-CG 3.31Å; P84-R87 WeakPolarHBondContact O-CG 3.46Å; P84-R87 PolarHBondContact O-N 2.85Å; P84-R87 VanDerWaalsContact O-N 3.16Å; H85-R87 VanDerWaalsContact C-N 3.28Å; H85-R87 PolarHBondContact O-N 3.22Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 3.44Å
88V55.2Low67Low109 Ų10996.1 Ų96.166%0.66149%0.492SS*.Hα-helixtrans-71.4-26.5-169.5-175.20000112.3L86 A92L86-V88 PolarHBondContact O-N 2.9Å; V88-A92 WeakPolarHBondContact O-CB 3.34Å
89S54Low65.3Low86 Ų8697.8 Ų97.860%0.60149%0.488SS*.Hα-helixtrans-74.1-40.1-176-167.60000113.5R87 A92 A93R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 3.44Å; S89-A92 PolarHBondContact O-N 3.05Å; S89-A93 VanDerWaalsContact O-CB 3.28Å; S89-A93 WeakPolarHBondContact O-CB 3.17Å; S89-A93 PolarHBondContact O-N 3.14Å
90A53.1Low63.6Low55 Ų55104.2 Ų104.246%0.45552%0.521SS..Hα-helixtrans-65.8-48.2-174.400000113A92 A93 H94A90-A92 VanDerWaalsContact C-N 3.31Å; A90-A92 PolarHBondContact O-N 3.31Å; A90-A93 PolarHBondContact O-N 2.9Å; A90-H94 PolarHBondContact O-CD2 2.86Å; A90-H94 PolarHBondContact O-N 3.41Å
91A51.5Low62Low67 Ų67102.3 Ų102.355%0.55452%0.521SS*.Hα-helixtrans-63.4-38177.100000111.9Q95A91-Q95 VanDerWaalsContact O-CG 3.29Å; A91-Q95 WeakPolarHBondContact O-CG 3.43Å; A91-Q95 PolarHBondContact O-N 3.39Å
92A51.5Low60.3Low30 Ų30104.1 Ų104.125%0.24854%0.541CS..Hα-helixtrans-68.9-33.8174.600000112.9V88 S89 A90 Q95 R96V88-A92 WeakPolarHBondContact O-CB 3.34Å; S89-A92 PolarHBondContact O-N 3.05Å; A90-A92 VanDerWaalsContact C-N 3.31Å; A90-A92 PolarHBondContact O-N 3.31Å; A92-Q95 PolarHBondContact O-N 3.3Å; A92-R96 VanDerWaalsContact O-CB 3.32Å; A92-R96 WeakPolarHBondContact O-CB 3.32Å; A92-R96 WeakPolarHBondContact O-CG 3.27Å; A92-R96 PolarHBondContact O-N 2.98Å
93A52.6Low58.6Low39 Ų39107.7 Ų107.732%0.32257%0.568SS.*Hα-helixtrans-68.9-43.3175.700000111.6S89 A90 Q95 R96 I97S89-A93 VanDerWaalsContact O-CB 3.28Å; S89-A93 WeakPolarHBondContact O-CB 3.17Å; S89-A93 PolarHBondContact O-N 3.14Å; A90-A93 PolarHBondContact O-N 2.9Å; A93-Q95 PolarHBondContact O-N 2.94Å; A93-R96 PolarHBondContact O-N 3.35Å; A93-R96 VanDerWaalsContact O-N 3.07Å; A93-I97 WeakPolarHBondContact O-CG1 3.45Å; A93-I97 PolarHBondContact O-N 2.84Å
94H48.4Very low57Low157 Ų157108.6 Ų108.673%0.72758%0.579SS**Hα-helixtrans-63-28.4174.4-71-64.6000113.2A90A90-H94 PolarHBondContact O-CD2 2.86Å; A90-H94 PolarHBondContact O-N 3.41Å
95Q51Low55.6Low166 Ų166114 Ų11478%0.77659%0.592SS**Hα-helixtrans-79.5-29.3171.7-67.4-82.2-1500112.9A91 A92 A93A91-Q95 VanDerWaalsContact O-CG 3.29Å; A91-Q95 WeakPolarHBondContact O-CG 3.43Å; A91-Q95 PolarHBondContact O-N 3.39Å; A92-Q95 PolarHBondContact O-N 3.3Å; A93-Q95 PolarHBondContact O-N 2.94Å
96R51.1Low54.1Low208 Ų208110.2 Ų110.279%0.78560%0.596SS**Hα-helixtrans-86.2-22.2-178.9-79.7-179.5160.4102.8-2.5114.4A92 A93 R98A92-R96 VanDerWaalsContact O-CB 3.32Å; A92-R96 WeakPolarHBondContact O-CB 3.32Å; A92-R96 WeakPolarHBondContact O-CG 3.27Å; A92-R96 PolarHBondContact O-N 2.98Å; A93-R96 PolarHBondContact O-N 3.35Å; A93-R96 VanDerWaalsContact O-N 3.07Å; R96-R98 PolarHBondContact O-N 2.95Å
97I52.6Low53Low117 Ų117110.1 Ų110.160%0.661%0.61SS**  trans-79.362.9167.5-54.5168.6000108.7A93 W99A93-I97 WeakPolarHBondContact O-CG1 3.45Å; A93-I97 PolarHBondContact O-N 2.84Å; I97-W99 PolarHBondContact O-N 3.4Å
98R49.5Very low52.3Low213 Ų213108.5 Ų108.580%0.80462%0.618SS**  trans-69.9113.9163.4-178.7179.2-178-178.52.2107.1R96 L100R96-R98 PolarHBondContact O-N 2.95Å; R98-L100 PolarHBondContact O-N 3.09Å
99W50.7Low52.1Low170 Ų170106.6 Ų106.664%0.64461%0.614SS**  trans-52.2107.1172.4-62.290.5000110.3I97 N119I97-W99 PolarHBondContact O-N 3.4Å; W99-N119 WeakPolarHBondContact CH2-OD1 3.3Å
100L53.5Low52Low138 Ų138107.6 Ų107.672%0.72363%0.628SS**  trans-73.7123.7170.1-75.2165.8000107.7R98 A104R98-L100 PolarHBondContact O-N 3.09Å; L100-A104 HydrophobicContact CB-CB 4.36Å; L100-A104 HydrophobicContact CD2-CB 4.15Å
101P53.9Low52.1Low81 Ų81109.3 Ų109.353%0.52664%0.642SS.*  trans-60.4149.3173.727.1-34.1000109.5S103 A104P101-S103 PolarHBondContact O-N 2.97Å; P101-A104 WeakPolarHBondContact O-CB 3.2Å; P101-A104 PolarHBondContact O-N 3.17Å
102A54.7Low52.1Low70 Ų70110.5 Ų110.558%0.57964%0.642SS**G310 helixtrans-57.2-24.1-174.200000113.8A104 R105A102-A104 VanDerWaalsContact C-N 3.28Å; A102-A104 PolarHBondContact O-N 3.16Å; A102-R105 PolarHBondContact O-N 2.73Å
103S57.5Low52.1Low107 Ų107112.2 Ų112.275%0.74865%0.651SS**G310 helixtrans-63.1-25.517352.60000114.4P101 R105P101-S103 PolarHBondContact O-N 2.97Å; S103-R105 VanDerWaalsContact C-N 3.26Å; S103-R105 PolarHBondContact O-N 2.7Å
104A56.1Low52.2Low45 Ų45115.4 Ų115.437%0.37268%0.676SS.*G310 helixtrans-77.5-6.9179.500000113.8L100 P101 A102 G106L100-A104 HydrophobicContact CB-CB 4.36Å; L100-A104 HydrophobicContact CD2-CB 4.15Å; P101-A104 WeakPolarHBondContact O-CB 3.2Å; P101-A104 PolarHBondContact O-N 3.17Å; A102-A104 VanDerWaalsContact C-N 3.28Å; A102-A104 PolarHBondContact O-N 3.16Å; A104-G106 PolarHBondContact O-N 3.09Å
105R52.4Low52.4Low174 Ų174117.5 Ų117.566%0.65768%0.68SS**Hα-helixtrans-68-15.8178.8-73.8-174168.9117.8-1.4114.2A102 S103 A107 A109A102-R105 PolarHBondContact O-N 2.73Å; S103-R105 VanDerWaalsContact C-N 3.26Å; S103-R105 PolarHBondContact O-N 2.7Å; R105-A107 VanDerWaalsContact C-N 3.27Å; R105-A107 PolarHBondContact O-N 3.04Å; R105-A107 VanDerWaalsContact O-N 3.17Å; R105-A109 WeakPolarHBondContact O-CB 3.37Å
106G49.6Very low52.4Low81 Ų81112.3 Ų112.384%0.83567%0.67SS**Hα-helixtrans-65.1-16.9-170.500000116.9A104A104-G106 PolarHBondContact O-N 3.09Å
107A51.9Low52.4Low97 Ų97109.6 Ų109.680%0.80267%0.67SS**Hα-helixtrans-122.5-29.6-175.200000115.1R105R105-A107 VanDerWaalsContact C-N 3.27Å; R105-A107 PolarHBondContact O-N 3.04Å; R105-A107 VanDerWaalsContact O-N 3.17Å
108A48Very low52.4Low68 Ų68111.5 Ų111.556%0.56268%0.681SS**Hα-helixtrans-98.5-12.1-173.200000114.7A110A108-A110 VanDerWaalsContact C-N 3.26Å; A108-A110 PolarHBondContact O-N 2.77Å
109A50.2Low52.5Low69 Ų69105.3 Ų105.357%0.5766%0.664SS**THydrogen-bonded Turntrans-72.5-11.5-17200000115.1R105R105-A109 WeakPolarHBondContact O-CB 3.37Å
110A52.4Low52.8Low108 Ų108104.4 Ų104.489%0.89367%0.671SS**THydrogen-bonded Turntrans-79.1-16.7-178.600000114.3A108A108-A110 VanDerWaalsContact C-N 3.26Å; A108-A110 PolarHBondContact O-N 2.77Å
111A54.3Low52.8Low91 Ų91103.8 Ų103.875%0.75267%0.668SS**SBendtrans-113-7.4-171.800000114.7
112V52.4Low52.8Low92 Ų92102.7 Ų102.756%0.55867%0.666SS**SBendtrans-111.3112.6-179.6-174.10000109A114V112-A114 PolarHBondContact O-N 3.2Å
113P51.9Low52.6Low66 Ų66106.1 Ų106.143%0.42967%0.67SS.*  trans-65.5132.7179.528.1-34.5000110.5Y115P113-Y115 HydrophobicContact CB-CD1 4.01Å; P113-Y115 HydrophobicContact CB-CE1 3.49Å; P113-Y115 VanDerWaalsContact CB-CE1 3.49Å; P113-Y115 HydrophobicContact CB-CE2 4.38Å; P113-Y115 HydrophobicContact CG-CE1 3.8Å; P113-Y115 HydrophobicContact CG-CE2 3.91Å; P113-Y115 VanDerWaalsContact CG-CZ 3.41Å; P113-Y115 WeakPolarHBondContact CG-OH 3.46Å; P113-Y115 PolarHBondContact O-N 3.04Å
114A55.3Low52.7Low105 Ų105107.6 Ų107.687%0.86867%0.665SS**THydrogen-bonded Turntrans-71.28-160.100000116.4V112V112-A114 PolarHBondContact O-N 3.2Å
115Y51.3Low53.5Low202 Ų202109.9 Ų109.979%0.79267%0.671SS**THydrogen-bonded Turntrans-81.4-6.2-178.847.4-115.5000114.8P113P113-Y115 HydrophobicContact CB-CD1 4.01Å; P113-Y115 HydrophobicContact CB-CE1 3.49Å; P113-Y115 VanDerWaalsContact CB-CE1 3.49Å; P113-Y115 HydrophobicContact CB-CE2 4.38Å; P113-Y115 HydrophobicContact CG-CE1 3.8Å; P113-Y115 HydrophobicContact CG-CE2 3.91Å; P113-Y115 VanDerWaalsContact CG-CZ 3.41Å; P113-Y115 WeakPolarHBondContact CG-OH 3.46Å; P113-Y115 PolarHBondContact O-N 3.04Å
116G50.6Low54.6Low56 Ų56107 Ų10758%0.57767%0.672SS**SBendtrans-100.7-7.1-169.500000118.4
117L51.2Low55.8Low151 Ų151109.1 Ų109.179%0.79166%0.66SS**  trans-114.461.5-167.8-64.1-178.9000113.9
118L53.4Low57Low158 Ų158106.5 Ų106.583%0.82763%0.634SS**  trans-85.3119.4168.6-67-179.4000111L120L118-L120 PolarHBondContact O-N 3.32Å; L118-L120 VanDerWaalsContact O-N 3.11Å
119N52.2Low58.4Low82 Ų82107.9 Ų107.944%0.43963%0.631SS.*  trans-74.396.8175.5176.611.1000110.5W99 N121 A122W99-N119 WeakPolarHBondContact CH2-OD1 3.3Å; N119-N121 PolarHBondContact O-N 2.95Å; N119-N121 VanDerWaalsContact O-N 3.09Å; N119-N121 WeakPolarHBondContact OD1-CA 3.36Å; N119-N121 WeakPolarHBondContact OD1-CB 3.5Å; N119-N121 PolarHBondContact OD1-N 2.76Å; N119-A122 WeakPolarHBondContact O-CB 3.47Å; N119-A122 PolarHBondContact O-N 2.85Å
120L57Low59.8Low151 Ų151109.6 Ų109.679%0.79163%0.627SS**THydrogen-bonded Turntrans-64.9-4.4176-71.1154.1000114.4L118L118-L120 PolarHBondContact O-N 3.32Å; L118-L120 VanDerWaalsContact O-N 3.11Å
121N52.5Low61.2Low125 Ų125108.6 Ų108.667%0.66860%0.604SS**THydrogen-bonded Turntrans-100.57.6172.7-162.647.6000112.9N119N119-N121 PolarHBondContact O-N 2.95Å; N119-N121 VanDerWaalsContact O-N 3.09Å; N119-N121 WeakPolarHBondContact OD1-CA 3.36Å; N119-N121 WeakPolarHBondContact OD1-CB 3.5Å; N119-N121 PolarHBondContact OD1-N 2.76Å
122A54.5Low62.3Low58 Ų58110.9 Ų110.948%0.47959%0.593SS.*SBendtrans-69.7127.5166.100000109N119 H124N119-A122 WeakPolarHBondContact O-CB 3.47Å; N119-A122 PolarHBondContact O-N 2.85Å; A122-H124 PolarHBondContact O-N 3.43Å
123Q49.9Very low63.7Low143 Ų143112 Ų11267%0.66860%0.596SS**  trans-56.9122.8-170.1-66.2-160.8-19.100112.6N125Q123-N125 PolarHBondContact O-N 2.97Å
124H60.4Low65.1Low138 Ų138113.6 Ų113.664%0.63960%0.597SS**  trans-655.7-176.6-5795.7000115.2A122 V126A122-H124 PolarHBondContact O-N 3.43Å; H124-V126 PolarHBondContact O-N 3.5Å
125N71.5Confident66.2Low92 Ų92111.7 Ų111.749%0.49257%0.57SS.*  trans-73.1114.4178.2-172-24.7000109.5Q123 H127 V128 I129Q123-N125 PolarHBondContact O-N 2.97Å; N125-H127 PolarHBondContact O-N 3.03Å; N125-H127 VanDerWaalsContact OD1-CB 3.3Å; N125-H127 WeakPolarHBondContact OD1-CB 3.45Å; N125-H127 PolarHBondContact OD1-N 3.41Å; N125-V128 HydrophobicContact CB-CB 4.47Å; N125-V128 HydrophobicContact CB-CG2 4.05Å; N125-V128 PolarHBondContact O-N 2.87Å; N125-I129 PolarHBondContact O-N 3.11Å; N125-I129 VanDerWaalsContact O-N 3.14Å
126V75.8Confident67.2Low113 Ų113108 Ų10869%0.68556%0.563SS**Hα-helixtrans-48.4-36.1178.4179.70000111.9H124 I129 H130H124-V126 PolarHBondContact O-N 3.5Å; V126-I129 PolarHBondContact O-N 3.03Å; V126-H130 VanDerWaalsContact O-CB 3.28Å; V126-H130 WeakPolarHBondContact O-CB 3.41Å; V126-H130 PolarHBondContact O-N 3.43Å
127H75.9Confident68.2Low127 Ų127113.7 Ų113.759%0.58857%0.572SS**Hα-helixtrans-62.7-44.4176.8-170.589.7000112.7N125 H130 Q131N125-H127 PolarHBondContact O-N 3.03Å; N125-H127 VanDerWaalsContact OD1-CB 3.3Å; N125-H127 WeakPolarHBondContact OD1-CB 3.45Å; N125-H127 PolarHBondContact OD1-N 3.41Å; H127-H130 PolarHBondContact O-N 3.12Å; H127-Q131 VanDerWaalsContact O-CB 3.31Å; H127-Q131 WeakPolarHBondContact O-CB 3.45Å; H127-Q131 PolarHBondContact O-N 3.45Å
128V77.2Confident69.3Low42 Ų42112.8 Ų112.826%0.25557%0.568SS.*Hα-helixtrans-68.8-38.9179.7179.90000110.7N125 R132N125-V128 HydrophobicContact CB-CB 4.47Å; N125-V128 HydrophobicContact CB-CG2 4.05Å; N125-V128 PolarHBondContact O-N 2.87Å; V128-R132 WeakPolarHBondContact O-CB 3.16Å; V128-R132 PolarHBondContact O-N 2.96Å
129I76.6Confident69.7Low97 Ų97111.6 Ų111.650%0.49756%0.563SS.*Hα-helixtrans-62.9-48.1175-61.5171.3000110N125 V126 R132 L133N125-I129 PolarHBondContact O-N 3.11Å; N125-I129 VanDerWaalsContact O-N 3.14Å; V126-I129 PolarHBondContact O-N 3.03Å; I129-R132 PolarHBondContact O-N 2.91Å; I129-L133 WeakPolarHBondContact O-CB 3.29Å; I129-L133 PolarHBondContact O-N 3.34Å
130H80.2Confident69.6Low104 Ų104110.3 Ų110.348%0.48157%0.569SS.*Hα-helixtrans-63.6-43.3178.4-178.5-105.9000112.3V126 H127 R132 L133 Q134V126-H130 VanDerWaalsContact O-CB 3.28Å; V126-H130 WeakPolarHBondContact O-CB 3.41Å; V126-H130 PolarHBondContact O-N 3.43Å; H127-H130 PolarHBondContact O-N 3.12Å; H130-R132 PolarHBondContact O-N 3.2Å; H130-L133 WeakPolarHBondContact O-CB 3.38Å; H130-L133 PolarHBondContact O-N 2.96Å; H130-L133 VanDerWaalsContact O-N 3.17Å; H130-Q134 PolarHBondContact CE1-NE2 2.9Å; H130-Q134 WeakPolarHBondContact O-CG 3.29Å; H130-Q134 PolarHBondContact O-N 3.29Å
131Q81.7Confident69.2Low88 Ų88108 Ų10841%0.41157%0.566SS.*Hα-helixtrans-59.8-45.5174.3-173.9178.419.900111.4H127 L133 Q134 E135H127-Q131 VanDerWaalsContact O-CB 3.31Å; H127-Q131 WeakPolarHBondContact O-CB 3.45Å; H127-Q131 PolarHBondContact O-N 3.45Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.04Å; Q131-Q134 PolarHBondContact O-N 2.9Å; Q131-E135 WeakPolarHBondContact O-CG 3.37Å; Q131-E135 PolarHBondContact O-N 2.92Å
132R77.3Confident69.3Low138 Ų138107.8 Ų107.852%0.52157%0.571SS.*Hα-helixtrans-60.8-39.6173.7-11368.7-137.3-148.55.2112.3V128 I129 H130 Q134 E135 L136V128-R132 WeakPolarHBondContact O-CB 3.16Å; V128-R132 PolarHBondContact O-N 2.96Å; I129-R132 PolarHBondContact O-N 2.91Å; H130-R132 PolarHBondContact O-N 3.2Å; R132-Q134 VanDerWaalsContact C-N 3.31Å; R132-Q134 PolarHBondContact O-N 2.98Å; R132-E135 IonicContact CZ-OE1 3.68Å; R132-E135 IonicContact CZ-OE2 2.72Å; R132-E135 VanDerWaalsContact CZ-OE2 3.23Å; R132-E135 IonicContact NE-OE1 3.64Å; R132-E135 PolarHBondContact NE-OE1 3.33Å; R132-E135 IonicContact NE-OE2 3.23Å; R132-E135 PolarHBondContact NE-OE2 2.84Å; R132-E135 IonicContact NH2-OE1 3.34Å; R132-E135 PolarHBondContact NH2-OE1 3.18Å; R132-E135 IonicContact NH2-OE2 3.45Å; R132-E135 PolarHBondContact NH2-OE2 3.09Å; R132-E135 PolarHBondContact O-N 3.01Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.45Å; R132-L136 PolarHBondContact O-N 2.83Å
133L81.9Confident68.8Low117 Ų117109.6 Ų109.661%0.61359%0.586SS**Hα-helixtrans-64-37.5176.8-142.478.5000111.7I129 H130 Q131 K137I129-L133 WeakPolarHBondContact O-CB 3.29Å; I129-L133 PolarHBondContact O-N 3.34Å; H130-L133 WeakPolarHBondContact O-CB 3.38Å; H130-L133 PolarHBondContact O-N 2.96Å; H130-L133 VanDerWaalsContact O-N 3.17Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.04Å; L133-K137 WeakPolarHBondContact O-CB 3.44Å; L133-K137 PolarHBondContact O-N 3.48Å
134Q80.2Confident68.6Low98 Ų98111.8 Ų111.846%0.45859%0.593SS.*Hα-helixtrans-69.7-42.6173.7-70.6-175.8-20.100112.5H130 Q131 R132 L136 K137 N138H130-Q134 PolarHBondContact CE1-NE2 2.9Å; H130-Q134 WeakPolarHBondContact O-CG 3.29Å; H130-Q134 PolarHBondContact O-N 3.29Å; Q131-Q134 PolarHBondContact O-N 2.9Å; R132-Q134 VanDerWaalsContact C-N 3.31Å; R132-Q134 PolarHBondContact O-N 2.98Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 2.95Å; Q134-K137 PolarHBondContact O-N 3.5Å; Q134-N138 WeakPolarHBondContact O-CB 3.28Å; Q134-N138 VanDerWaalsContact O-CG 3.24Å; Q134-N138 PolarHBondContact O-N 3.49Å
135E78.9Confident68.2Low66 Ų66110.3 Ų110.331%0.30860%0.596SS.*Hα-helixtrans-55.9-45.6172.6-73.3172.1-161.200111.2Q131 R132 N138 N139Q131-E135 WeakPolarHBondContact O-CG 3.37Å; Q131-E135 PolarHBondContact O-N 2.92Å; R132-E135 IonicContact CZ-OE1 3.68Å; R132-E135 IonicContact CZ-OE2 2.72Å; R132-E135 VanDerWaalsContact CZ-OE2 3.23Å; R132-E135 IonicContact NE-OE1 3.64Å; R132-E135 PolarHBondContact NE-OE1 3.33Å; R132-E135 IonicContact NE-OE2 3.23Å; R132-E135 PolarHBondContact NE-OE2 2.84Å; R132-E135 IonicContact NH2-OE1 3.34Å; R132-E135 PolarHBondContact NH2-OE1 3.18Å; R132-E135 IonicContact NH2-OE2 3.45Å; R132-E135 PolarHBondContact NH2-OE2 3.09Å; R132-E135 PolarHBondContact O-N 3.01Å; E135-N138 PolarHBondContact O-N 3.33Å; E135-N139 WeakPolarHBondContact O-CB 3.42Å; E135-N139 VanDerWaalsContact O-CG 3.29Å; E135-N139 PolarHBondContact O-N 3.17Å; E135-N139 PolarHBondContact O-ND2 2.93Å; E135-N139 VanDerWaalsContact O-ND2 3.09Å
136L71.6Confident67.5Low123 Ų123111.3 Ų111.364%0.64461%0.607SS**Hα-helixtrans-67.3-37.7177.5-69.6171.5000112.5R132 Q134 G140R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.45Å; R132-L136 PolarHBondContact O-N 2.83Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 2.95Å; L136-G140 WeakPolarHBondContact O-CA 3.49Å; L136-G140 PolarHBondContact O-N 2.74Å
137K73.3Confident66.7Low176 Ų176111.4 Ų111.477%0.76561%0.61SS**Hα-helixtrans-67.3-35.9176.2-174.8171.8178.4178.10112.4L133 Q134L133-K137 WeakPolarHBondContact O-CB 3.44Å; L133-K137 PolarHBondContact O-N 3.48Å; Q134-K137 PolarHBondContact O-N 3.5Å
138N72.6Confident65.8Low132 Ų132111.5 Ų111.571%0.70662%0.622SS**Hα-helixtrans-77.6-30.2179.1-67.9-8.3000112.6Q134 E135Q134-N138 WeakPolarHBondContact O-CB 3.28Å; Q134-N138 VanDerWaalsContact O-CG 3.24Å; Q134-N138 PolarHBondContact O-N 3.49Å; E135-N138 PolarHBondContact O-N 3.33Å
139N62.9Low64.9Low134 Ų134113.6 Ų113.672%0.71764%0.644SS**Hα-helixtrans-90.4-5176.6-64.6-32.2000113.3E135 S141E135-N139 WeakPolarHBondContact O-CB 3.42Å; E135-N139 VanDerWaalsContact O-CG 3.29Å; E135-N139 PolarHBondContact O-N 3.17Å; E135-N139 PolarHBondContact O-ND2 2.93Å; E135-N139 VanDerWaalsContact O-ND2 3.09Å; N139-S141 VanDerWaalsContact C-N 3.26Å; N139-S141 PolarHBondContact O-N 3.42Å
140G50.4Low63.7Low55 Ų55114.5 Ų114.557%0.56766%0.656SS**  trans-81.142.2-175.100000115.6L136L136-G140 WeakPolarHBondContact O-CA 3.49Å; L136-G140 PolarHBondContact O-N 2.74Å
141S47.6Very low62.1Low102 Ų102121.3 Ų121.371%0.71368%0.677SS**  trans-98.3110166.7-171.40000109.3N139 A143N139-S141 VanDerWaalsContact C-N 3.26Å; N139-S141 PolarHBondContact O-N 3.42Å; S141-A143 PolarHBondContact O-N 2.88Å
142P55Low61Low121 Ų121123.3 Ų123.379%0.78670%0.696SS**  trans-67107.3173.427.8-32000108.2K144P142-K144 PolarHBondContact O-N 3.19Å
143A44.3Very low59.8Low95 Ų95121.3 Ų121.379%0.78570%0.702SS**  trans-57.5102.8174.800000109.1S141S141-A143 PolarHBondContact O-N 2.88Å
144K45.8Very low58.2Low190 Ų190122.2 Ų122.283%0.82672%0.715SS**PPolyproline II helixtrans-50.8123.7177.2-179.8178.9-179.5178.30108.3P142P142-K144 PolarHBondContact O-N 3.19Å
145P52.5Low56.6Low107 Ų107122 Ų12270%0.69573%0.731SS**PPolyproline II helixtrans-58.7137.5179.823.9-33000109.3
146P56.3Low55.1Low113 Ų113123.1 Ų123.173%0.73475%0.751SS**PPolyproline II helixtrans-60.8143.3179.325.7-33.7000109.7
147P57.6Low53.7Low115 Ų115127 Ų12775%0.74776%0.757SS**PPolyproline II helixtrans-60.9145.3177.826.9-34.3000110.3A149P147-A149 PolarHBondContact O-N 3.06Å
148P57.1Low52.5Low129 Ų129124.9 Ų124.984%0.83875%0.75SS**PPolyproline II helixtrans-60.6127.2179.625.2-33.7000110.3
149A58.7Low51.3Low86 Ų86125.7 Ų125.771%0.71175%0.75SS**PPolyproline II helixtrans-59.6144.3179.100000111.2P147 R151P147-A149 PolarHBondContact O-N 3.06Å; A149-R151 PolarHBondContact O-N 3.18Å
150P52.8Low50.6Low116 Ų116126.7 Ų126.775%0.75375%0.75SS**PPolyproline II helixtrans-63125179.426-33.6000110.3V152P150-V152 PolarHBondContact O-N 3.16Å
151R46.2Very low50.4Low246 Ų246131.5 Ų131.593%0.92876%0.762SS**  trans-67.498170.6-75.2-177.6-179.9-117.50.5109.1A149 S153A149-R151 PolarHBondContact O-N 3.18Å; R151-S153 PolarHBondContact O-N 3.3Å
152V58.3Low50.3Low131 Ų131130.5 Ų130.579%0.79476%0.759SS**  trans-76.2112.7166.4-175.80000107.9P150P150-V152 PolarHBondContact O-N 3.16Å
153S52.5Low50.5Low95 Ų95130.3 Ų130.366%0.66476%0.758SS**  trans-62.1140.4177.4-580000111.3R151 A155R151-S153 PolarHBondContact O-N 3.3Å; S153-A155 PolarHBondContact O-N 3.11Å
154P47.4Very low50.9Low136 Ų136129.8 Ų129.888%0.88375%0.754SS**  trans-76.487.4-178.831.2-34.5000110.8A156P154-A156 PolarHBondContact O-N 3.26Å
155A47.5Very low51.2Low94 Ų94127.3 Ų127.378%0.77775%0.75SS**  trans-86.287.9175.400000111.1S153S153-A155 PolarHBondContact O-N 3.11Å
156A46Very low51.2Low90 Ų90130.5 Ų130.574%0.74476%0.755SS**  trans52134.3141.700000121P154P154-A156 PolarHBondContact O-N 3.26Å
157R43.6Very low50.8Low205 Ų205133 Ų13377%0.77476%0.762SS**  116.9115117.5-161.7168.9-177.6158.25.8117.4
158Q47.2Very low50.9Low130 Ų130132.9 Ų132.961%0.60776%0.761SS**  trans69.4144.9150.7-69.7174.9-5600117.7
159Q47.6Very low50.4Low150 Ų150133.2 Ų133.270%0.70176%0.76SS**  cis-166.8176.8-15-123.7164.1-23.600109.4
160Q47.8Very low49.8Very low155 Ų155133.6 Ų133.672%0.72476%0.763SS**  trans96.296.6150.8-13991.5-12.100119.8
161L45.8Very low49.4Very low156 Ų156132.5 Ų132.582%0.81776%0.758SS**  28.3152.5128.1-71.883.8000121.2
162A47.3Very low49.6Very low80 Ų80126.2 Ų126.266%0.66175%0.747SS**  cis173.3-163.3-8.100000106.9
163P59Low49.2Very low117 Ų117125.3 Ų125.376%0.7675%0.747SS**  -125.1-176.7-52.732.1-14.2000113.6
164A51.7Low49.3Very low85 Ų85126.8 Ų126.870%0.70275%0.754SS**  trans71.9148.5151.800000118
165D51.9Low48.8Very low138 Ų138125.3 Ų125.374%0.73875%0.746SS**  cis-154.7165.813.2-125.4-32.9000114
166H52.9Low48.6Very low174 Ų174126.6 Ų126.681%0.80675%0.749SS**  trans55.5148.8152.573.8-21.5000126.2
167L48.3Very low48.2Very low166 Ų166128.3 Ų128.387%0.86975%0.75SS**  trans-97.6-157.7-177.5-56.3169.9000110
168P58.8Low48.1Very low111 Ų111124.8 Ų124.872%0.72175%0.751SS**  cis-149.6173.80.344.4-23.4000120.2
169V47.2Very low47.8Very low137 Ų137123.6 Ų123.683%0.8375%0.753SS**  trans74.2142.1135.5157.80000124.4
170A46.2Very low47.3Very low93 Ų93121.5 Ų121.577%0.76975%0.751SS**  trans81.9152.6155.500000121.1
171S45.3Very low47.2Very low93 Ų93122.8 Ų122.865%0.6576%0.756SS**  cis-175.5144.2-29.9-174.60000110.3
172T48.4Very low46.7Very low114 Ų114119.2 Ų119.270%0.69975%0.75SS**  trans50.9116149.247.90000122.5
173S51.1Low46.2Very low113 Ų113120.1 Ų120.179%0.7976%0.757SS**  55.3165.6108.6-52.10000120.8
174P54.5Low45.1Very low126 Ų126119.2 Ų119.282%0.81876%0.76SS**  cis-140.6-175.514.243.1-22.7000118.3
175C36Very low44.6Very low104 Ų104120.1 Ų120.170%0.70377%0.767SS**  trans-65.4158.5171.7175.70000115.1
176S43.8Very low44.2Very low122 Ų122118 Ų11885%0.85377%0.768SS**  trans-166.2133.5133-80.80000114.2
177T37.8Very low43.9Very low125 Ų125117.9 Ų117.977%0.76777%0.773SS**  trans-95-176.3167.3-60.60000109.6
178V42.3Very low44.7Very low131 Ų131115 Ų11579%0.79476%0.764SS**  trans107.3142.4161.3175.90000114.6
179T39.2Very low44.7Very low105 Ų105115.2 Ų115.264%0.64477%0.766SS**  cis-174.2150.5-23.2-87.80000109.2
180T38.5Very low45.1Very low106 Ų106113.5 Ų113.565%0.6576%0.757SS**  trans15.6143.8164.460.20000124.4
181H44.7Very low45.2Very low182 Ų182116.4 Ų116.484%0.84376%0.757SS**  141.9151129-79.7-71.3000109.4
182A36.6Very low45.2Very low82 Ų82117.8 Ų117.868%0.67877%0.766SS**  cis174.5160.6-20.400000105.7
183A35.8Very low44.6Very low99 Ų99117 Ų11782%0.81877%0.765SS**  trans75.8109.7156.100000122.1
184A36.7Very low44.2Very low98 Ų98121.1 Ų121.181%0.8177%0.769SS**  102.4144.9116.300000122.1
185A41.1Very low43.6Very low103 Ų103123 Ų12385%0.85177%0.766SS**  trans70.1132.5171.200000118.3
186A42.4Very low43.6Very low93 Ų93122.1 Ų122.177%0.76977%0.766SS**  cis-160129.2-14.900000112.3
187L47.5Very low43.8Very low172 Ų172123.4 Ų123.490%0.90176%0.763SS**  trans37.6150143.5-65.6169.1000124.5
188P65.7Low43.8Very low106 Ų106125 Ų12569%0.68877%0.766SS**  trans-106.2-141.1-163.839.2-21.9000113
189P57.2Low44.2Very low116 Ų116125.3 Ų125.375%0.75376%0.763SS**  cis-131.6-105.349.229.3-1.9000121.5
190P56.8Low44.1Very low101 Ų101127.5 Ų127.566%0.65677%0.771SS**  -135-177.5-118.938.9-18.9000119.6
191M47.9Very low44.6Very low153 Ų153129.4 Ų129.475%0.75478%0.777SS**  trans88.798156.6-51.4-55.9-73.100119.8
192S46.1Very low44.6Very low122 Ų122129.8 Ų129.885%0.85378%0.779SS**  -163.1136.298.157.90000111
193C35Very low44.8Very low98 Ų98134.4 Ų134.466%0.66279%0.786SS**  trans-104.5134.5-172.6-29.80000109
194F42Very low45Very low200 Ų200133 Ų13388%0.87778%0.775SS**  trans-159.8107.5142.3-105-67.8000111.6
195H43.4Very low45.4Very low164 Ų164135.5 Ų135.576%0.75978%0.779SS**  trans17109.9161.3-69.5-83.1000120.2
196A34.4Very low45.4Very low86 Ų86134.9 Ų134.971%0.71178%0.775SS**  trans-67.1138.4140.800000110
197L49.1Very low45.2Very low149 Ų149136.5 Ų136.578%0.7878%0.775SS**  trans-132.389.9150.8-76178.9000106.5
198D38.3Very low44.7Very low158 Ų158133.6 Ų133.685%0.84578%0.776SS**  trans-63125.7154.8-88.5-55.1000107.7
199L49.6Very low43.5Very low138 Ų138132.4 Ų132.472%0.72378%0.775SS**  trans-158.692.2168.7-106.8162.2000108.5
200D37.7Very low42.5Very low152 Ų152135.9 Ų135.981%0.81378%0.783SS**  trans21.9100.1153-53.7-50.5000118.1
201L48Very low42.2Very low146 Ų146138 Ų13876%0.76480%0.795SS**  trans-127.626.3162.6-157.560.8000113.3Q203 A204L201-Q203 PolarHBondContact O-N 3.18Å; L201-Q203 VanDerWaalsContact O-N 3.08Å; L201-A204 HydrophobicContact CD1-CB 3.98Å; L201-A204 HydrophobicContact CG-CB 4.36Å
202E44.4Very low41.9Very low190 Ų190136.5 Ų136.589%0.88879%0.794SS**THydrogen-bonded Turntrans-80.560.2166.9-82.9-81.7123.700110.8
203Q41.6Very low42.2Very low178 Ų178136.6 Ų136.683%0.83279%0.79SS**THydrogen-bonded Turntrans-161.9-12168.3-120.3161.964.800116.5L201 V205L201-Q203 PolarHBondContact O-N 3.18Å; L201-Q203 VanDerWaalsContact O-N 3.08Å; Q203-V205 PolarHBondContact O-N 3.35Å
204A39.9Very low42.7Very low70 Ų70138.3 Ų138.358%0.57979%0.792SS**THydrogen-bonded Turntrans-85.49.9-169.200000116.5L201L201-A204 HydrophobicContact CD1-CB 3.98Å; L201-A204 HydrophobicContact CG-CB 4.36Å
205V45.7Very low42.7Very low150 Ų150136 Ų13691%0.90979%0.789SS**THydrogen-bonded Turntrans-108.2-1.6-175.7-176.20000112.9Q203Q203-V205 PolarHBondContact O-N 3.35Å
206A40Very low42.9Very low91 Ų91133 Ų13375%0.75279%0.793SS**SBendtrans-112.7-2.3-169.800000116.3
207T39.5Very low43.9Very low126 Ų126137.6 Ų137.677%0.77380%0.799SS**  trans-13161.7-172.829.50000113
208A35.6Very low43.7Very low111 Ų111135.8 Ų135.892%0.91780%0.797SS**SBendtrans-118.615.1167.700000112.9
209A42.1Very low44Very low82 Ų82137.7 Ų137.768%0.67880%0.798SS**SBendtrans-119.8143.1166.400000108.3
210M35.4Very low43.7Very low188 Ų188140 Ų14093%0.92681%0.805SS**  trans78.773.7179.4-50.9-177.6166.300117.5
211T50.3Low44Very low146 Ų146135.5 Ų135.590%0.89679%0.794SS**  trans-134.5101.7138.955.30000108.8
212T42.2Very low43.4Very low121 Ų121132.4 Ų132.474%0.74280%0.797SS**  trans-85.4162.3168.346.40000110.7
213V51.3Low43.3Very low125 Ų125126.2 Ų126.276%0.75879%0.785SS**  trans64.2138.5166.3-65.90000116
214D46.8Very low43.5Very low133 Ų133122.3 Ų122.371%0.71178%0.783SS**  cis-143.9173.416.6-90.7-52000113.1
215D41.1Very low43.9Very low153 Ų153128 Ų12882%0.81880%0.795SS**  trans60.293.1153.6-59.6-33.2000121.9
216A47.2Very low44.5Very low101 Ų101125 Ų12584%0.83578%0.779SS**  trans-159101.4147.100000113.3
217E56.5Low44.8Very low181 Ų181127.5 Ų127.585%0.84679%0.787SS**  trans-2.9122.9160.8-64.1-64130.200119.3F219E217-F219 PolarHBondContact O-N 3.25Å
218P45.2Very low45.5Very low112 Ų112125 Ų12573%0.72779%0.787SS**  trans-78.2111.4168.932.1-31.1000111E220P218-E220 PolarHBondContact O-N 3.4Å
219F42.9Very low46.1Very low198 Ų198123 Ų12387%0.86877%0.77SS**  trans-73.298.7172.1-166.9-94.2000110.7E217 G221E217-F219 PolarHBondContact O-N 3.25Å; F219-G221 PolarHBondContact O-N 3.1Å
220E43.6Very low46.7Very low186 Ų186126.4 Ų126.487%0.86978%0.777SS**  trans-52.594.2166.9-78.3-79.9142.100110.6P218P218-E220 PolarHBondContact O-N 3.4Å
221G43.8Very low47.8Very low57 Ų57126.6 Ų126.659%0.58877%0.773SS**  trans-148.821.3-175.800000113.6F219 G223F219-G221 PolarHBondContact O-N 3.1Å; G221-G223 PolarHBondContact O-N 3.42Å
222G36.4Very low48.1Very low81 Ų81125.3 Ų125.384%0.83577%0.767SS**  trans-73.466.8-17900000113.4A224G222-A224 VanDerWaalsContact C-N 3.34Å; G222-A224 PolarHBondContact O-N 3.2Å
223G41.8Very low48.7Very low61 Ų61128.6 Ų128.663%0.62977%0.774SS**  trans-66.486.8172.700000111.8G221 F225G221-G223 PolarHBondContact O-N 3.42Å; G223-F225 PolarHBondContact O-N 3.35Å
224A45.8Very low49.2Very low96 Ų96128.2 Ų128.279%0.79377%0.767SS**  trans-65.2102.5172.800000110G222G222-A224 VanDerWaalsContact C-N 3.34Å; G222-A224 PolarHBondContact O-N 3.2Å
225F49.5Very low50.6Low189 Ų189126.2 Ų126.283%0.82976%0.756SS**  trans-64.5127.8173.2-83.6-91.3000110G223G223-F225 PolarHBondContact O-N 3.35Å
226P57.8Low52.4Low88 Ų88124.6 Ų124.657%0.57175%0.747SS**  trans-66.5138.4177.727.2-33.7000110.4G228 A229P226-G228 PolarHBondContact O-N 3.06Å; P226-A229 PolarHBondContact O-N 2.99Å
227P46.8Very low53.8Low142 Ų142128.5 Ų128.592%0.92274%0.74SS**THydrogen-bonded Turntrans-71.296.5177.729.5-33.7000109.6
228G52.8Low54.8Low74 Ų74126.2 Ų126.276%0.76373%0.729SS**THydrogen-bonded Turntrans144.6-1.7-179.400000115.9P226 D230P226-G228 PolarHBondContact O-N 3.06Å; G228-D230 PolarHBondContact O-N 2.79Å
229A49.4Very low56.6Low69 Ų69125.6 Ų125.657%0.5772%0.715SS**PPolyproline II helixtrans-77119.817000000110.3P226P226-A229 PolarHBondContact O-N 2.99Å
230D54.3Low58.6Low154 Ų154118.8 Ų118.882%0.82469%0.687SS**PPolyproline II helixtrans-54.6143.9178.4-66.1-67.3000112G228G228-D230 PolarHBondContact O-N 2.79Å
231K58.2Low60.4Low192 Ų192113.9 Ų113.984%0.83567%0.665SS**PPolyproline II helixtrans-52.2140168.8-80.1171.9175.3171.20108.3Q233K231-Q233 VanDerWaalsContact C-N 3.29Å; K231-Q233 PolarHBondContact O-N 3.24Å
232P56.8Low62.2Low118 Ų118119.1 Ų119.177%0.76667%0.674SS**  trans-61.897.9170.326.6-33.1000108.1L234P232-L234 PolarHBondContact O-N 3.42Å
233Q53.8Low64.4Low190 Ų190119.6 Ų119.689%0.88866%0.656SS**  trans-74.580.7173.8-174.6172-5.200106.2K231 D235K231-Q233 VanDerWaalsContact C-N 3.29Å; K231-Q233 PolarHBondContact O-N 3.24Å; Q233-D235 PolarHBondContact O-N 3.31Å
234L62.8Low65.8Low118 Ų118119.7 Ų119.762%0.61866%0.657SS**  trans-47115.4168.2-88146.6000107.5P232 L236P232-L234 PolarHBondContact O-N 3.42Å; L234-L236 PolarHBondContact O-N 3.01Å; L234-L236 VanDerWaalsContact O-N 3.16Å
235D75.4Confident67.3Low90 Ų90120.1 Ų120.148%0.48165%0.65SS.*  trans-59.9123.7176.7-171.6-19.4000107.3Q233 R237 E238 F239Q233-D235 PolarHBondContact O-N 3.31Å; D235-R237 PolarHBondContact O-N 3.25Å; D235-R237 VanDerWaalsContact O-N 3.17Å; D235-R237 PolarHBondContact OD1-N 3.38Å; D235-E238 HydrophobicContact CB-CB 4.35Å; D235-E238 HydrophobicContact CB-CG 4.41Å; D235-E238 PolarHBondContact O-N 2.84Å; D235-E238 VanDerWaalsContact O-N 3.09Å; D235-F239 PolarHBondContact O-N 3.34Å
236L79.3Confident68.2Low119 Ų119114.1 Ų114.162%0.62363%0.626SS**Hα-helixtrans-59.1-30.3-178-175.362.2000110.4L234 L240L234-L236 PolarHBondContact O-N 3.01Å; L234-L236 VanDerWaalsContact O-N 3.16Å; L236-L240 HydrophobicContact CD1-CD1 4.27Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 3.9Å; L236-L240 HydrophobicContact CG-CG 4.35Å; L236-L240 VanDerWaalsContact O-CB 3.28Å; L236-L240 WeakPolarHBondContact O-CB 3.25Å; L236-L240 WeakPolarHBondContact O-CD1 3.38Å; L236-L240 WeakPolarHBondContact O-CG 3.23Å; L236-L240 PolarHBondContact O-N 3.48Å
237R76.1Confident68.9Low184 Ų184118.4 Ų118.469%0.69464%0.636SS**Hα-helixtrans-64.5-52.3172.6-79.9-174.5165.1-139.2-4.7112.1D235 F239 L240 Q241 L246D235-R237 PolarHBondContact O-N 3.25Å; D235-R237 VanDerWaalsContact O-N 3.17Å; D235-R237 PolarHBondContact OD1-N 3.38Å; R237-F239 VanDerWaalsContact C-N 3.32Å; R237-F239 PolarHBondContact O-N 3.1Å; R237-L240 PolarHBondContact O-N 2.91Å; R237-Q241 VanDerWaalsContact O-CB 3.23Å; R237-Q241 WeakPolarHBondContact O-CB 3.3Å; R237-Q241 PolarHBondContact O-N 3.26Å; R237-L246 HydrophobicContact CG-CD2 4.32Å
238E79.1Confident69.8Low133 Ų133115.5 Ų115.562%0.62162%0.616SS**Hα-helixtrans-59-43.6177.1-78.5-161.2143.300111.5D235 Q241 Q242D235-E238 HydrophobicContact CB-CB 4.35Å; D235-E238 HydrophobicContact CB-CG 4.41Å; D235-E238 PolarHBondContact O-N 2.84Å; D235-E238 VanDerWaalsContact O-N 3.09Å; E238-Q241 PolarHBondContact O-N 2.85Å; E238-Q242 WeakPolarHBondContact O-CB 3.44Å; E238-Q242 PolarHBondContact O-N 2.9Å
239F82.9Confident70.4Confident99 Ų99118.7 Ų118.743%0.43462%0.615SS.*Hα-helixtrans-61.7-48.5178.9-178.9-103.4000112D235 R237 Q241 Q242 I243D235-F239 PolarHBondContact O-N 3.34Å; R237-F239 VanDerWaalsContact C-N 3.32Å; R237-F239 PolarHBondContact O-N 3.1Å; F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 3.16Å; F239-Q242 PolarHBondContact O-N 3.16Å; F239-I243 HydrophobicContact CD1-CD1 4.38Å; F239-I243 HydrophobicContact CE1-CD1 3.96Å; F239-I243 HydrophobicContact CE1-CG2 4.4Å; F239-I243 HydrophobicContact CE2-CG2 4.16Å; F239-I243 HydrophobicContact CZ-CG2 4.04Å; F239-I243 WeakPolarHBondContact O-CG1 3.34Å; F239-I243 PolarHBondContact O-N 3.09Å
240L83.7Confident71Confident54 Ų54122.2 Ų122.228%0.28362%0.624SS.*Hα-helixtrans-62.4-34.8177.5-73.3169.7000112.5L236 R237 I243 G244 V245 L246L236-L240 HydrophobicContact CD1-CD1 4.27Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 3.9Å; L236-L240 HydrophobicContact CG-CG 4.35Å; L236-L240 VanDerWaalsContact O-CB 3.28Å; L236-L240 WeakPolarHBondContact O-CB 3.25Å; L236-L240 WeakPolarHBondContact O-CD1 3.38Å; L236-L240 WeakPolarHBondContact O-CG 3.23Å; L236-L240 PolarHBondContact O-N 3.48Å; R237-L240 PolarHBondContact O-N 2.91Å; L240-I243 HydrophobicContact CD2-CD1 4.3Å; L240-I243 WeakPolarHBondContact O-CG1 3.4Å; L240-G244 PolarHBondContact O-N 2.97Å; L240-V245 HydrophobicContact CD2-CB 4.22Å; L240-V245 HydrophobicContact CD2-CG1 3.96Å; L240-V245 PolarHBondContact O-N 3.47Å; L240-L246 HydrophobicContact CB-CB 3.93Å; L240-L246 PolarHBondContact O-N 3.21Å; L240-L246 VanDerWaalsContact O-N 3.09Å
241Q81.7Confident71.1Confident83 Ų83122.6 Ų122.639%0.38863%0.626SS.*Hα-helixtrans-73.1-40.2178-160.2149.969.300111.2R237 E238 F239 I243 G244 T248R237-Q241 VanDerWaalsContact O-CB 3.23Å; R237-Q241 WeakPolarHBondContact O-CB 3.3Å; R237-Q241 PolarHBondContact O-N 3.26Å; E238-Q241 PolarHBondContact O-N 2.85Å; F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 3.16Å; Q241-I243 PolarHBondContact O-N 3.35Å; Q241-G244 PolarHBondContact O-N 3.36Å; Q241-G244 VanDerWaalsContact O-N 3.08Å; Q241-T248 HydrophobicContact CG-CG2 4.19Å
242Q81.2Confident70.6Confident167 Ų167116.7 Ų116.778%0.7862%0.62SS**Hα-helixtrans-70.7-29.2177.8-168.2168.517.600113.6E238 F239 G244E238-Q242 WeakPolarHBondContact O-CB 3.44Å; E238-Q242 PolarHBondContact O-N 2.9Å; F239-Q242 PolarHBondContact O-N 3.16Å; Q242-G244 VanDerWaalsContact C-N 3.29Å
243I82.2Confident70Confident91 Ų91118 Ų11847%0.46763%0.626SS.*THydrogen-bonded Turntrans-84.40.4170.268.9175.8000113.4F239 L240 Q241 V245F239-I243 HydrophobicContact CD1-CD1 4.38Å; F239-I243 HydrophobicContact CE1-CD1 3.96Å; F239-I243 HydrophobicContact CE1-CG2 4.4Å; F239-I243 HydrophobicContact CE2-CG2 4.16Å; F239-I243 HydrophobicContact CZ-CG2 4.04Å; F239-I243 WeakPolarHBondContact O-CG1 3.34Å; F239-I243 PolarHBondContact O-N 3.09Å; L240-I243 HydrophobicContact CD2-CD1 4.3Å; L240-I243 WeakPolarHBondContact O-CG1 3.4Å; Q241-I243 PolarHBondContact O-N 3.35Å; I243-V245 VanDerWaalsContact C-N 3.33Å; I243-V245 HydrophobicContact CD1-CB 4.26Å; I243-V245 HydrophobicContact CD1-CG2 3.75Å; I243-V245 HydrophobicContact CG1-CB 4.06Å; I243-V245 HydrophobicContact CG1-CG2 3.76Å; I243-V245 PolarHBondContact O-N 3.11Å
244G71.7Confident69.5Low63 Ų63113.3 Ų113.365%0.64962%0.62SS**THydrogen-bonded Turntrans74.116.5176.800000115.3L240 Q241 Q242L240-G244 PolarHBondContact O-N 2.97Å; Q241-G244 PolarHBondContact O-N 3.36Å; Q241-G244 VanDerWaalsContact O-N 3.08Å; Q242-G244 VanDerWaalsContact C-N 3.29Å
245V77.1Confident68.4Low105 Ų105114 Ų11464%0.63663%0.629SS**SBendtrans-84.2-31.2177.1170.20000111.3L240 I243L240-V245 HydrophobicContact CD2-CB 4.22Å; L240-V245 HydrophobicContact CD2-CG1 3.96Å; L240-V245 PolarHBondContact O-N 3.47Å; I243-V245 VanDerWaalsContact C-N 3.33Å; I243-V245 HydrophobicContact CD1-CB 4.26Å; I243-V245 HydrophobicContact CD1-CG2 3.75Å; I243-V245 HydrophobicContact CG1-CB 4.06Å; I243-V245 HydrophobicContact CG1-CG2 3.76Å; I243-V245 PolarHBondContact O-N 3.11Å
246L70Confident67.1Low63 Ų63113.7 Ų113.733%0.3364%0.639SS.*SBendtrans-108.9117.9174.3-172.564.9000110.1R237 L240R237-L246 HydrophobicContact CG-CD2 4.32Å; L240-L246 HydrophobicContact CB-CB 3.93Å; L240-L246 PolarHBondContact O-N 3.21Å; L240-L246 VanDerWaalsContact O-N 3.09Å
247K71.6Confident65.6Low178 Ų178118.3 Ų118.377%0.77465%0.654SS**  trans-71.3149.9169.8-81.2173.8177167.80110.1D249K247-D249 PolarHBondContact O-N 2.97Å
248T64.8Low63.8Low82 Ų82113.6 Ų113.650%0.50366%0.663SS.*  trans-72.1115.1163.5440000108.2Q241 D250Q241-T248 HydrophobicContact CG-CG2 4.19Å; T248-D250 PolarHBondContact O-N 3.41Å
249D67.1Low61.9Low141 Ų141112.5 Ų112.575%0.75467%0.67SS**  trans-77.698.7165.3-64.1-47000107.3K247 D251K247-D249 PolarHBondContact O-N 2.97Å; D249-D251 PolarHBondContact O-N 3.09Å; D249-D251 VanDerWaalsContact O-N 3.13Å
250D60.6Low60.1Low142 Ų142116 Ų11676%0.75969%0.692SS**  trans-73.699.2177-71.3-56.6000109.7T248 G252T248-D250 PolarHBondContact O-N 3.41Å; D250-G252 VanDerWaalsContact C-N 3.34Å; D250-G252 PolarHBondContact O-N 2.91Å
251D56.9Low58.2Low163 Ų163121.5 Ų121.587%0.87272%0.716SS**  trans-63.987.4178.1-85.9-42.1000112.6D249D249-D251 PolarHBondContact O-N 3.09Å; D249-D251 VanDerWaalsContact O-N 3.13Å
252G47.9Very low56.3Low68 Ų68121.2 Ų121.270%0.70174%0.735SS**  trans47.486.5140.500000118.8D250D250-G252 VanDerWaalsContact C-N 3.34Å; D250-G252 PolarHBondContact O-N 2.91Å
253T43.7Very low54.3Low144 Ų144120.2 Ų120.288%0.88374%0.735SS**  trans-138116.7145.414.80000112.4
254A43Very low52.6Low92 Ų92120 Ų12076%0.7675%0.747SS**  trans-21136.7177.300000119.4
255T41Very low51.4Low132 Ų132122 Ų12281%0.8176%0.757SS**  -176.6111.6103-72.40000113.6
256A46.9Very low50.1Low85 Ų85124.3 Ų124.370%0.70277%0.766SS**  trans36.3134.6142.300000124.3
257K47.5Very low49.3Very low216 Ų216125.6 Ų125.694%0.93979%0.786SS**  trans80.6107.3148.6-72.9179.4177.3179.60119.9
258G39.3Very low48.2Very low84 Ų84120.6 Ų120.687%0.86679%0.785SS**  trans-175.866.6162.300000112.2
259S39.3Very low47.5Very low110 Ų110123.3 Ų123.377%0.76981%0.805SS**  trans-85.2131.5178.1-179.50000111.3
260L45.6Very low46.4Very low173 Ų173126.4 Ų126.491%0.90681%0.812SS**  trans-154.3139.5154.7-106.6164.1000109.5
261H42.1Very low45.7Very low170 Ų170122.3 Ų122.379%0.78780%0.804SS**  trans-74.7158.6-175.2-87.944.9000113.6
262G42.6Very low44.9Very low76 Ų76117.7 Ų117.778%0.78479%0.794SS**  trans-175.678.4172.600000112.9
263D39.9Very low45.3Very low147 Ų147122 Ų12279%0.78680%0.802SS**  trans-51.7163.3161.1-55.7-88.6000112.1
264A45.3Very low46Very low86 Ų86119.1 Ų119.171%0.71180%0.8SS**  cis-174.5161.1-19.800000107.1
265A46.9Very low47.1Very low104 Ų104123.2 Ų123.286%0.8680%0.804SS**  trans60.3133.6178.900000115.3
266D51Low48.6Very low155 Ų155122.5 Ų122.583%0.82979%0.79SS**  -169.9165.655.2-175.625.7000110.9
267A52.6Low50.1Low90 Ų90123 Ų12374%0.74478%0.78SS**  trans46.1114.2161.500000120.8
268G47.5Very low51.7Low73 Ų73121.6 Ų121.675%0.75377%0.769SS**  trans143.387.6158.100000114.6F270G268-F270 PolarHBondContact O-N 3.04Å
269C51.7Low53.6Low138 Ų138123.8 Ų123.893%0.93276%0.761SS**  trans-67.489.6177.2-80.20000112.9G271C269-G271 VanDerWaalsContact C-N 3.28Å; C269-G271 PolarHBondContact O-N 3.43Å
270F43.8Very low55.4Low206 Ų206121.1 Ų121.190%0.90475%0.746SS**  trans-83.478.8151.1-110.2-89.8000108.8G268G268-F270 PolarHBondContact O-N 3.04Å
271G45.6Very low57Low57 Ų57116.8 Ų116.859%0.58872%0.723SS**  trans-64.6146.3167.800000110.4C269 N273C269-G271 VanDerWaalsContact C-N 3.28Å; C269-G271 PolarHBondContact O-N 3.43Å; G271-N273 PolarHBondContact O-N 2.87Å
272G39.8Very low58.6Low65 Ų65110.9 Ų110.967%0.6770%0.704SS**THydrogen-bonded Turntrans-53.2137.2164.500000108.8
273N56.3Low60.1Low160 Ų160109.7 Ų109.786%0.85669%0.687SS**THydrogen-bonded Turn-140.427.158.1-54.4-51.8000114.1G271 E275G271-N273 PolarHBondContact O-N 2.87Å; N273-E275 PolarHBondContact O-N 2.74Å; N273-E275 VanDerWaalsContact O-N 3.14Å
274G59.4Low61.9Low83 Ų83107.6 Ų107.686%0.85668%0.675SS**SBendtrans72.8-2.5-176.200000114.8
275E64.9Low63.2Low178 Ų178108.9 Ų108.983%0.83267%0.67SS**SBendtrans-92.5126.3171.3-162.9157.3174.100108.8N273 D277N273-E275 PolarHBondContact O-N 2.74Å; N273-E275 VanDerWaalsContact O-N 3.14Å; E275-D277 PolarHBondContact O-N 3.4Å
276F72.9Confident64.2Low117 Ų117109.5 Ų109.551%0.51366%0.659SS.*  trans-78.9112.6-174.5177.1-92.4000110.1W278 L281F276-W278 AromaticContact CD1-CD2 3.94Å; F276-W278 HydrophobicContact CD1-CD2 3.94Å; F276-W278 AromaticContact CD1-CE2 3.7Å; F276-W278 HydrophobicContact CD1-CG 4.15Å; F276-W278 HydrophobicContact CD1-CZ2 4.09Å; F276-W278 AromaticContact CD1-NE1 3.78Å; F276-W278 AromaticContact CE1-CD2 3.58Å; F276-W278 HydrophobicContact CE1-CD2 3.58Å; F276-W278 AromaticContact CE1-CE2 3.66Å; F276-W278 AromaticContact CE1-CE3 3.72Å; F276-W278 HydrophobicContact CE1-CE3 3.72Å; F276-W278 HydrophobicContact CE1-CG 4.11Å; F276-W278 AromaticContact CE1-CH2 4Å; F276-W278 HydrophobicContact CE1-CH2 4Å; F276-W278 AromaticContact CE1-CZ2 3.88Å; F276-W278 HydrophobicContact CE1-CZ2 3.88Å; F276-W278 AromaticContact CE1-CZ3 3.92Å; F276-W278 HydrophobicContact CE1-CZ3 3.92Å; F276-W278 PolarHBondContact O-N 2.95Å; F276-L281 HydrophobicContact CZ-CD1 4.15Å
277D78.7Confident64.8Low94 Ų94107.6 Ų107.650%0.50365%0.648SS.*  trans-81.1106.9-180-171.6-11000111.1E275 D279 A280 L281E275-D277 PolarHBondContact O-N 3.4Å; D277-D279 VanDerWaalsContact C-N 3.32Å; D277-D279 WeakPolarHBondContact OD1-CA 3.33Å; D277-D279 WeakPolarHBondContact OD1-CB 3.38Å; D277-D279 PolarHBondContact OD1-N 3.07Å; D277-A280 HydrophobicContact CB-CB 3.85Å; D277-A280 PolarHBondContact OD1-N 2.9Å; D277-A280 VanDerWaalsContact OD1-N 3.17Å; D277-L281 PolarHBondContact O-N 2.93Å
278W81.3Confident65.2Low187 Ų187108.7 Ų108.771%0.70864%0.64SS**Hα-helixtrans-68-29.9175.7-70.795.2000112.7F276 A282F276-W278 AromaticContact CD1-CD2 3.94Å; F276-W278 HydrophobicContact CD1-CD2 3.94Å; F276-W278 AromaticContact CD1-CE2 3.7Å; F276-W278 HydrophobicContact CD1-CG 4.15Å; F276-W278 HydrophobicContact CD1-CZ2 4.09Å; F276-W278 AromaticContact CD1-NE1 3.78Å; F276-W278 AromaticContact CE1-CD2 3.58Å; F276-W278 HydrophobicContact CE1-CD2 3.58Å; F276-W278 AromaticContact CE1-CE2 3.66Å; F276-W278 AromaticContact CE1-CE3 3.72Å; F276-W278 HydrophobicContact CE1-CE3 3.72Å; F276-W278 HydrophobicContact CE1-CG 4.11Å; F276-W278 AromaticContact CE1-CH2 4Å; F276-W278 HydrophobicContact CE1-CH2 4Å; F276-W278 AromaticContact CE1-CZ2 3.88Å; F276-W278 HydrophobicContact CE1-CZ2 3.88Å; F276-W278 AromaticContact CE1-CZ3 3.92Å; F276-W278 HydrophobicContact CE1-CZ3 3.92Å; F276-W278 PolarHBondContact O-N 2.95Å; W278-A282 WeakPolarHBondContact O-CB 3.32Å; W278-A282 PolarHBondContact O-N 2.87Å
279D78.9Confident65.5Low131 Ų131109.2 Ų109.270%0.70164%0.638SS**Hα-helixtrans-74.1-36.7179.8-70.1-35.2000110.6D277 A282 A283D277-D279 VanDerWaalsContact C-N 3.32Å; D277-D279 WeakPolarHBondContact OD1-CA 3.33Å; D277-D279 WeakPolarHBondContact OD1-CB 3.38Å; D277-D279 PolarHBondContact OD1-N 3.07Å; D279-A282 PolarHBondContact O-N 2.99Å; D279-A283 PolarHBondContact O-N 3.06Å
280A75.9Confident65.6Low54 Ų54105.6 Ų105.645%0.44662%0.624SS.*Hα-helixtrans-61.2-43.1173.100000112.4D277 A283 D284D277-A280 HydrophobicContact CB-CB 3.85Å; D277-A280 PolarHBondContact OD1-N 2.9Å; D277-A280 VanDerWaalsContact OD1-N 3.17Å; A280-A283 PolarHBondContact O-N 3.37Å; A280-D284 PolarHBondContact O-N 3Å; A280-D284 VanDerWaalsContact O-N 3.08Å
281L79.5Confident65.9Low82 Ų8299.4 Ų99.443%0.42961%0.611SS.*Hα-helixtrans-70-35.3175.3-174.3126.7000112.1F276 D277 A283 D284 L285F276-L281 HydrophobicContact CZ-CD1 4.15Å; D277-L281 PolarHBondContact O-N 2.93Å; L281-A283 VanDerWaalsContact C-N 3.31Å; L281-A283 PolarHBondContact O-N 2.98Å; L281-D284 PolarHBondContact O-N 2.84Å; L281-L285 WeakPolarHBondContact O-CB 3.41Å; L281-L285 PolarHBondContact O-N 3.08Å
282A77Confident65.9Low45 Ų45105.9 Ų105.937%0.37263%0.625SS.*Hα-helixtrans-66.9-31.3174.700000112.8W278 D279 N286W278-A282 WeakPolarHBondContact O-CB 3.32Å; W278-A282 PolarHBondContact O-N 2.87Å; D279-A282 PolarHBondContact O-N 2.99Å; A282-N286 PolarHBondContact O-N 3.24Å; A282-N286 PolarHBondContact O-ND2 3.17Å
283A73.9Confident65.8Low52 Ų52106.5 Ų106.543%0.4363%0.632SS.*Hα-helixtrans-68.3-50.817100000111.3D279 A280 L281 L285 N286 D287D279-A283 PolarHBondContact O-N 3.06Å; A280-A283 PolarHBondContact O-N 3.37Å; L281-A283 VanDerWaalsContact C-N 3.31Å; L281-A283 PolarHBondContact O-N 2.98Å; A283-L285 VanDerWaalsContact C-N 3.31Å; A283-L285 PolarHBondContact O-N 3.35Å; A283-N286 PolarHBondContact O-N 3.26Å; A283-D287 PolarHBondContact O-N 3.39Å
284D76.5Confident64.9Low103 Ų103102.4 Ų102.455%0.55163%0.628SS**Hα-helixtrans-60-39.2-179.3-156.949.3000111.9A280 L281 N286 D287 I288A280-D284 PolarHBondContact O-N 3Å; A280-D284 VanDerWaalsContact O-N 3.08Å; L281-D284 PolarHBondContact O-N 2.84Å; D284-N286 PolarHBondContact O-N 3.48Å; D284-D287 PolarHBondContact O-N 3.5Å; D284-I288 WeakPolarHBondContact O-CD1 3.33Å; D284-I288 VanDerWaalsContact O-CG1 3.27Å; D284-I288 WeakPolarHBondContact O-CG1 3.47Å; D284-I288 PolarHBondContact O-N 3.04Å
285L73.2Confident64.3Low112 Ų112102.9 Ų102.959%0.58662%0.623SS**Hα-helixtrans-65.6-34.6174.5-131.978.7000113.3L281 A283 A289L281-L285 WeakPolarHBondContact O-CB 3.41Å; L281-L285 PolarHBondContact O-N 3.08Å; A283-L285 VanDerWaalsContact C-N 3.31Å; A283-L285 PolarHBondContact O-N 3.35Å; L285-A289 PolarHBondContact O-N 2.94Å
286N68.4Low63.3Low118 Ų118102.5 Ų102.563%0.63163%0.627SS**Hα-helixtrans-75-36.6176.5-83.8-46.3000112A282 A283 D284 A289 G290A282-N286 PolarHBondContact O-N 3.24Å; A282-N286 PolarHBondContact O-ND2 3.17Å; A283-N286 PolarHBondContact O-N 3.26Å; D284-N286 PolarHBondContact O-N 3.48Å; N286-A289 PolarHBondContact O-N 3.3Å; N286-A289 VanDerWaalsContact O-N 3.15Å; N286-G290 PolarHBondContact O-N 3.35Å
287D64Low61.8Low115 Ų115100.4 Ų100.462%0.61564%0.638SS**Hα-helixtrans-66.6-37174.9-82.1-29.5000111.5A283 D284 A289 G290 A291A283-D287 PolarHBondContact O-N 3.39Å; D284-D287 PolarHBondContact O-N 3.5Å; D287-A289 VanDerWaalsContact C-N 3.26Å; D287-A289 PolarHBondContact O-N 2.88Å; D287-G290 PolarHBondContact O-N 3.4Å; D287-A291 VanDerWaalsContact O-CB 3.24Å; D287-A291 WeakPolarHBondContact O-CB 3.37Å; D287-A291 PolarHBondContact O-N 2.87Å
288I59.1Low59.6Low112 Ų11299.6 Ų99.657%0.57465%0.652SS**Hα-helixtrans-60.8-35.2170.8-68.3162.1000111.6D284D284-I288 WeakPolarHBondContact O-CD1 3.33Å; D284-I288 VanDerWaalsContact O-CG1 3.27Å; D284-I288 WeakPolarHBondContact O-CG1 3.47Å; D284-I288 PolarHBondContact O-N 3.04Å
289A55.7Low57.9Low84 Ų84100.6 Ų100.669%0.69466%0.662SS**Hα-helixtrans-77.9-25.6176.200000113.6L285 N286 D287L285-A289 PolarHBondContact O-N 2.94Å; N286-A289 PolarHBondContact O-N 3.3Å; N286-A289 VanDerWaalsContact O-N 3.15Å; D287-A289 VanDerWaalsContact C-N 3.26Å; D287-A289 PolarHBondContact O-N 2.88Å
290G52.2Low56.1Low62 Ų62102.6 Ų102.664%0.63967%0.667SS**Hα-helixtrans-87.1-27.6-179.800000115.1N286 D287 H292N286-G290 PolarHBondContact O-N 3.35Å; D287-G290 PolarHBondContact O-N 3.4Å; G290-H292 PolarHBondContact O-N 3.02Å
291A50.1Low54.9Low77 Ų77108.6 Ų108.664%0.63669%0.688SS**  trans-90.440.4-165.200000116.2D287D287-A291 VanDerWaalsContact O-CB 3.24Å; D287-A291 WeakPolarHBondContact O-CB 3.37Å; D287-A291 PolarHBondContact O-N 2.87Å
292H47Very low53.3Low192 Ų192110.5 Ų110.589%0.88970%0.698SS**  trans-11743.8169.7-92-65.2000113.4G290G290-H292 PolarHBondContact O-N 3.02Å
293G37.5Very low51.6Low79 Ų79115.9 Ų115.981%0.81472%0.721SS**  trans-12477.9174.200000113.1
294G37.5Very low50.7Low74 Ų74121.3 Ų121.376%0.76374%0.742SS**  trans174.5121.9174.400000116.8
295A45.2Very low49.2Very low92 Ų92123.8 Ų123.876%0.7675%0.75SS**  trans64102157.800000120.5
296N44.5Very low47.6Very low171 Ų171126.6 Ų126.691%0.91476%0.76SS**  trans59.488.2131.8-59.5-28.1000119.4
297G41.9Very low46.7Very low72 Ų72127.9 Ų127.974%0.74277%0.772SS**  trans-161.876.8163.200000111.2F299G297-F299 PolarHBondContact O-N 2.89Å
298G32.6Very low45.5Very low77 Ų77129 Ų12979%0.79478%0.778SS**  trans-68.6128.6-170.200000114.1
299F45.2Very low44.8Very low209 Ų209131 Ų13192%0.91779%0.785SS**  trans-129.5102.7155.5-85.6-82.3000108.6G297G297-F299 PolarHBondContact O-N 2.89Å
300Q40.7Very low44Very low172 Ų172135.5 Ų135.580%0.80479%0.789SS**  trans-85.3123169.3-176.8173.9-16.200107.5D302Q300-D302 PolarHBondContact NE2-OD1 2.88Å
301M51Low43.2Very low181 Ų181136.6 Ų136.689%0.89280%0.8SS**  trans-138.2118.8171.2-169.279.6-175.700106.5
302D47.1Very low43Very low121 Ų121138.4 Ų138.465%0.64780%0.803SS**  trans-77.8157.8-155.3-51.3-85.4000115.1Q300Q300-D302 PolarHBondContact NE2-OD1 2.88Å
303D41.1Very low43.1Very low159 Ų159135.5 Ų135.585%0.8580%0.803SS**  trans-56131.9175.9-68.2-74.5000113.1
304L55.1Low44Very low166 Ų166138.4 Ų138.487%0.86980%0.799SS**  trans-128.597.9160.3-78.9179.1000110.7
305H45Very low44.8Very low154 Ų154139.9 Ų139.971%0.71380%0.796SS**  trans20.1106.5147-81.6-92.4000118V307H305-V307 PolarHBondContact O-N 3.26Å
306E38.3Very low45.6Very low171 Ų171141.4 Ų141.480%0.79979%0.79SS**  33.593.2111.4-167.2178.2-151.700116.1
307V49.1Very low46.3Very low145 Ų145136.5 Ų136.588%0.87977%0.767SS**  trans-128.3112.6145.7-161.80000107.4H305H305-V307 PolarHBondContact O-N 3.26Å
308D40Very low47.3Very low140 Ų140138.5 Ų138.575%0.74977%0.765SS**  trans-70.3172.1-178.7-159.2-4.2000111.8
309Q43.3Very low48.6Very low152 Ų152145.6 Ų145.671%0.7177%0.768SS**  trans88.1139.1157.8-140.2160.674.400119
310F39.5Very low49Very low180 Ų180141.6 Ų141.679%0.78976%0.756SS**  trans80.182.9179.2-60.1-76.3000117.9T312F310-T312 PolarHBondContact O-N 3.25Å
311G35.3Very low49.5Very low85 Ų85142.5 Ų142.588%0.87677%0.773SS**  trans-67.6126.8167.900000113.2
312T47.1Very low49.4Very low114 Ų114140.6 Ų140.670%0.69977%0.767SS**  trans-12085.8164.355.90000109.7F310 L314F310-T312 PolarHBondContact O-N 3.25Å; T312-L314 PolarHBondContact O-N 2.97Å
313C48.7Very low49.5Very low132 Ų132141.6 Ų141.689%0.89277%0.773SS**  trans-65.2100.9162175.30000108.1
314L55.3Low50Low139 Ų139140.7 Ų140.773%0.72877%0.769SS**  trans-105.3135.8168.3-67.5179000108.3T312 I316T312-L314 PolarHBondContact O-N 2.97Å; L314-I316 PolarHBondContact O-N 3.37Å
315P54.7Low49.7Very low106 Ų106139.2 Ų139.269%0.68876%0.763SS**PPolyproline II helixtrans-68.9132.2-171.927.3-34.3000111.5
316I61.4Low50Low123 Ų123138.3 Ų138.363%0.63177%0.766SS**PPolyproline II helixtrans-60.1131.2168.9-59.1173.3000108.1L314 D320L314-I316 PolarHBondContact O-N 3.37Å; I316-D320 HydrophobicContact CG2-CB 3.77Å
317P60.3Low50.8Low69 Ų69136.1 Ų136.145%0.44876%0.764SS.*PPolyproline II helixtrans-70146.5175.731-35.1000110.7W319 D320P317-W319 PolarHBondContact O-N 3.22Å; P317-D320 PolarHBondContact O-N 2.91Å
318V61.9Low50.9Low113 Ų113135.4 Ų135.469%0.68576%0.756SS**THydrogen-bonded Turntrans-65.410.2-17177.70000116.1
319W60.1Low51.7Low226 Ų226135.1 Ų135.186%0.85676%0.757SS**THydrogen-bonded Turntrans-104.55.9177.3-15.5104.3000112.6P317P317-W319 PolarHBondContact O-N 3.22Å
320D54.7Low52.4Low125 Ų125133.7 Ų133.767%0.66876%0.76SS**  trans-131.744.3-170.5-145.518.5000109.4I316 P317I316-D320 HydrophobicContact CG2-CB 3.77Å; P317-D320 PolarHBondContact O-N 2.91Å
321V50.2Low53.6Low192 Ų192129.5 Ų129.5100%1.16476%0.758SS**  trans-137.40178-179.30000108.4

Retrieved 321 of 321 residues in 199.6 ms (Link to these results)