A0A077Z3D1_TRITR Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A077Z3D1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 415 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
1M51.2Low86.8Confident238 Ų238110.5 Ų110.5100%1.17257%0.565SS**  0144.10-66.2-178.1-140.500106.4
2G69.9Low87.7Confident58 Ų58106 Ų10660%0.59854%0.538SS*.  trans-58.2158.5-178.400000111.4Y4 I34G2-Y4 VanDerWaalsContact C-N 3.27Å; G2-I34 WeakPolarHBondContact O-CD1 3.42Å
3T82.1Confident88.5Confident86 Ų86102.5 Ų102.553%0.52854%0.536SS..SBendtrans-84.3-2.7179.149.40000113.3I34T3-I34 PolarHBondContact O-N 3.41Å
4Y92.7Very high89.2Confident107 Ų107100.8 Ų100.842%0.4253%0.527SS..EExtended strand (participates in β ladder)trans-115145.9-172.4-58.6-68.6000112.5G2 W32 R295G2-Y4 VanDerWaalsContact C-N 3.27Å; Y4-W32 CarbonylContact C-O 3.51Å; Y4-W32 VanDerWaalsContact CA-O 3.24Å; Y4-W32 WeakPolarHBondContact CA-O 3.47Å; Y4-W32 HydrophobicContact CD1-CB 3.96Å; Y4-R295 HydrophobicContact CD1-CB 4.25Å; Y4-R295 HydrophobicContact CE1-CB 3.61Å; Y4-R295 WeakPolarHBondContact CE1-O 3.4Å
5L93.8Very high89.8Confident40 Ų4097.8 Ų97.821%0.20951%0.509CS..EExtended strand (participates in β ladder)trans-75.9160.3169.8-63.2171.5000111.7K7 R9 W32 R33 I34L5-K7 VanDerWaalsContact C-N 3.28Å; L5-K7 WeakPolarHBondContact CB-O 3.35Å; L5-K7 PolarHBondContact O-N 3.18Å; L5-R9 HydrophobicContact CD1-CG 3.89Å; L5-W32 PolarHBondContact N-O 3.41Å; L5-R33 WeakPolarHBondContact CD1-O 3.34Å; L5-R33 WeakPolarHBondContact CG-O 3.43Å; L5-I34 HydrophobicContact CD2-CB 4.47Å; L5-I34 HydrophobicContact CD2-CG1 4.09Å; L5-I34 HydrophobicContact CG-CG1 4.4Å
6D92.7Very high90.3Very high166 Ų16696.4 Ų96.489%0.88851%0.51SS*.EExtended strand (participates in β ladder)trans-69.2-27.2172.7-66.4-34.3000112.8
7K92Very high90.7Very high168 Ų16891.9 Ų91.973%0.7349%0.493SS*.EExtended strand (participates in β ladder)trans-140.7145.3174-67.6-176.7-178.7178.70109.1L5L5-K7 VanDerWaalsContact C-N 3.28Å; L5-K7 WeakPolarHBondContact CB-O 3.35Å; L5-K7 PolarHBondContact O-N 3.18Å
8P94.2Very high91.1Very high31 Ų3193.6 Ų93.620%0.20150%0.502CS..EExtended strand (participates in β ladder)trans-69.8144.4177.930.1-32.2000110.4V10 G31 W32 L290P8-V10 HydrophobicContact CB-CG1 4.19Å; P8-V10 HydrophobicContact CG-CG1 4.02Å; P8-G31 CarbonylContact C-O 3.45Å; P8-G31 WeakPolarHBondContact CA-O 3.36Å; P8-W32 HydrophobicContact CB-CD2 3.88Å; P8-W32 HydrophobicContact CB-CE3 4.43Å; P8-W32 HydrophobicContact CB-CG 4.02Å; P8-W32 HydrophobicContact CB-CZ2 4.44Å; P8-W32 HydrophobicContact CG-CD2 4.24Å; P8-W32 HydrophobicContact CG-CH2 4.36Å; P8-W32 HydrophobicContact CG-CZ2 3.91Å; P8-L290 HydrophobicContact CB-CD1 4.2Å; P8-L290 HydrophobicContact CB-CD2 4.37Å; P8-L290 HydrophobicContact CG-CD2 4.46Å
9R95.4Very high91.4Very high123 Ų12389.2 Ų89.246%0.46448%0.481SS..EExtended strand (participates in β ladder)trans-83.5110165.3-75-177.6-177.8177-0.5108.6L5 M29 Q30 G31L5-R9 HydrophobicContact CD1-CG 3.89Å; R9-M29 WeakPolarHBondContact O-CG 3.49Å; R9-Q30 HydrophobicContact CB-CB 4.12Å; R9-G31 PolarHBondContact N-O 3.5Å; R9-G31 PolarHBondContact O-N 3.02Å
10V95Very high91.4Very high54 Ų5486.4 Ų86.433%0.32747%0.471SS..EExtended strand (participates in β ladder)trans-102.2-0.9-171.3-58.60000112.9P8 K12 M29 L290P8-V10 HydrophobicContact CB-CG1 4.19Å; P8-V10 HydrophobicContact CG-CG1 4.02Å; V10-K12 WeakPolarHBondContact O-CG 3.45Å; V10-M29 HydrophobicContact CB-SD 4.38Å; V10-L290 HydrophobicContact CG1-CD2 3.63Å
11E96Very high91.5Very high144 Ų14485.2 Ų85.267%0.67348%0.478SS*.EExtended strand (participates in β ladder)trans-61.1135.2171.3-6084.1177.100109.8
12K97.2Very high93.6Very high57 Ų5774.1 Ų74.125%0.24842%0.424CS..EExtended strand (participates in β ladder)trans-114.4131.3-176.3-54.3-177.3-178.1690110V10 T28 M29 N283 D287V10-K12 WeakPolarHBondContact O-CG 3.45Å; K12-T28 VanDerWaalsContact CA-O 3.26Å; K12-T28 WeakPolarHBondContact CA-O 3.37Å; K12-M29 HydrophobicContact CG-CB 4.42Å; K12-M29 HydrophobicContact CG-SD 4.33Å; K12-N283 WeakPolarHBondContact CB-OD1 3.31Å; K12-N283 HydrophobicContact CD-CB 3.66Å; K12-N283 VanDerWaalsContact CD-CG 3.49Å; K12-N283 WeakPolarHBondContact CD-OD1 3.49Å; K12-D287 VanDerWaalsContact CE-CG 3.41Å; K12-D287 WeakPolarHBondContact CE-OD1 3.46Å; K12-D287 WeakPolarHBondContact CE-OD2 3.32Å; K12-D287 IonicContact NZ-OD1 2.86Å; K12-D287 PolarHBondContact NZ-OD1 2.75Å; K12-D287 IonicContact NZ-OD2 3.2Å; K12-D287 PolarHBondContact NZ-OD2 3.41Å
13A98.1Very high94.9Very high61 Ų6176 Ų7650%0.50441%0.413SS..EExtended strand (participates in β ladder)trans-89.5127.9165.600000108.3A27 T28A13-A27 WeakPolarHBondContact O-CA 3.44Å; A13-T28 PolarHBondContact N-O 3.36Å; A13-T28 PolarHBondContact O-N 3.48Å
14N98.4Very high95.7Very high78 Ų7872.8 Ų72.842%0.41739%0.391SS..EExtended strand (participates in β ladder)trans-118.4143.2-175.9-75.2-83000110.9V26 A279 N283N14-V26 WeakPolarHBondContact CA-O 3.37Å; N14-V26 PolarHBondContact OD1-O 3.18Å; N14-A279 HydrophobicContact CB-CB 4.36Å; N14-N283 PolarHBondContact ND2-ND2 2.84Å; N14-N283 PolarHBondContact ND2-OD1 2.9Å; N14-N283 VanDerWaalsContact OD1-CG 3.25Å; N14-N283 PolarHBondContact OD1-ND2 3.29Å; N14-N283 PolarHBondContact OD1-OD1 3.27Å
15E98.1Very high96Very high56 Ų5667.7 Ų67.726%0.26237%0.371SS..EExtended strand (participates in β ladder)trans-137.3144168.9-169.7-169.614600108.2Y24 G25 V26 H40E15-Y24 HydrophobicContact CG-CE2 4.11Å; E15-Y24 PolarHBondContact OE1-OH 3.28Å; E15-G25 CarbonylContact O-C 3.47Å; E15-G25 WeakPolarHBondContact O-CA 3.46Å; E15-V26 HydrophobicContact CB-CB 4.03Å; E15-V26 HydrophobicContact CB-CG2 4.21Å; E15-V26 PolarHBondContact N-O 3.4Å; E15-V26 VanDerWaalsContact N-O 3.12Å; E15-V26 PolarHBondContact O-N 3.09Å; E15-H40 IonicContact OE2-CD2 3.41Å; E15-H40 IonicContact OE2-NE2 2.66Å; E15-H40 PolarHBondContact OE2-NE2 2.76Å
16S97.9Very high96.2Very high75 Ų7565.9 Ų65.952%0.52436%0.362SS..EExtended strand (participates in β ladder)trans-148.3157171.862.20000110.5Y24S16-Y24 WeakPolarHBondContact CA-O 3.47Å; S16-Y24 WeakPolarHBondContact CB-O 3.47Å
17G97.8Very high96.5Very high21 Ų2158 Ų5822%0.21632%0.319CS..EExtended strand (participates in β ladder)trans-172.6178.3-178.800000112.4R23 Y24G17-R23 WeakPolarHBondContact O-CA 3.28Å; G17-Y24 PolarHBondContact N-O 3.02Å; G17-Y24 VanDerWaalsContact N-O 3.12Å; G17-Y24 WeakPolarHBondContact O-CD1 3.47Å; G17-Y24 PolarHBondContact O-N 3.5Å
18N97.2Very high96.8Very high121 Ų12150.8 Ų50.865%0.64729%0.29SS*.EExtended strand (participates in β ladder)trans-151.3153177.466.194.4000109.5V22 R23 T44N18-V22 VanDerWaalsContact CA-O 3.29Å; N18-V22 WeakPolarHBondContact CA-O 3.45Å; N18-R23 HydrophobicContact CB-CB 4.43Å; N18-R23 HydrophobicContact CB-CG 3.93Å; N18-T44 PolarHBondContact O-OG1 3.1Å
19G96Very high97Very high10 Ų1049.4 Ų49.410%0.10328%0.281CS..EExtended strand (participates in β ladder)trans165.3158.2-176.100000111.3G21 V22 N45G19-G21 PolarHBondContact O-N 2.76Å; G19-V22 PolarHBondContact N-O 3.47Å; G19-V22 VanDerWaalsContact O-CG2 3.3Å; G19-V22 WeakPolarHBondContact O-CG2 3.38Å; G19-V22 PolarHBondContact O-N 3.08Å; G19-N45 WeakPolarHBondContact CA-OD1 3.33Å
20A93Very high97.2Very high34 Ų3444.7 Ų44.728%0.28126%0.264SS..THydrogen-bonded Turntrans47.333.717900000115.2N45A20-N45 PolarHBondContact N-OD1 3.43Å
21G92.3Very high97.3Very high61 Ų6142.1 Ų42.163%0.62925%0.248SC*.THydrogen-bonded Turntrans82.16.2178.800000115.7G19G19-G21 PolarHBondContact O-N 2.76Å
22V95.9Very high97.3Very high5 Ų537.8 Ų37.83%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-121.4158.7177-56.60000111.7N18 G19 T44 F56 I147 V303 L305N18-V22 VanDerWaalsContact CA-O 3.29Å; N18-V22 WeakPolarHBondContact CA-O 3.45Å; G19-V22 PolarHBondContact N-O 3.47Å; G19-V22 VanDerWaalsContact O-CG2 3.3Å; G19-V22 WeakPolarHBondContact O-CG2 3.38Å; G19-V22 PolarHBondContact O-N 3.08Å; V22-T44 HydrophobicContact CG2-CG2 3.9Å; V22-F56 HydrophobicContact CG2-CE2 4.31Å; V22-F56 HydrophobicContact CG2-CZ 4.17Å; V22-I147 HydrophobicContact CG1-CD1 4.4Å; V22-I147 HydrophobicContact CG1-CG2 4.46Å; V22-V303 HydrophobicContact CB-CG1 3.86Å; V22-V303 HydrophobicContact CG1-CG1 4.3Å; V22-V303 HydrophobicContact CG2-CG1 4.09Å; V22-L305 HydrophobicContact CG1-CD2 3.83Å
23R97.9Very high97.3Very high97 Ų9738 Ų3837%0.36623%0.225SC..EExtended strand (participates in β ladder)trans-119.9145.6167.5-58.3-179.8-64.6113.4-0.1108.1G17 N18 G276 L278 V303 A304G17-R23 WeakPolarHBondContact O-CA 3.28Å; N18-R23 HydrophobicContact CB-CB 4.43Å; N18-R23 HydrophobicContact CB-CG 3.93Å; R23-G276 PolarHBondContact NH1-O 2.74Å; R23-L278 VanDerWaalsContact C-CD1 3.48Å; R23-L278 HydrophobicContact CB-CD1 3.85Å; R23-L278 WeakPolarHBondContact O-CD1 3.28Å; R23-V303 CarbonylContact O-C 3.58Å; R23-V303 WeakPolarHBondContact O-CA 3.41Å; R23-A304 HydrophobicContact CB-CB 4.4Å; R23-A304 PolarHBondContact N-O 2.93Å; R23-A304 VanDerWaalsContact N-O 3.13Å; R23-A304 PolarHBondContact O-N 3.21Å
24Y98.7Very high97.3Very high20 Ų2038.1 Ų38.18%0.07822%0.217CC..EExtended strand (participates in β ladder)trans-134.8154.7177.373.6-90.8000112.5E15 S16 G17 V26 A42 T44 F56 L302E15-Y24 HydrophobicContact CG-CE2 4.11Å; E15-Y24 PolarHBondContact OE1-OH 3.28Å; S16-Y24 WeakPolarHBondContact CA-O 3.47Å; S16-Y24 WeakPolarHBondContact CB-O 3.47Å; G17-Y24 PolarHBondContact N-O 3.02Å; G17-Y24 VanDerWaalsContact N-O 3.12Å; G17-Y24 WeakPolarHBondContact O-CD1 3.47Å; G17-Y24 PolarHBondContact O-N 3.5Å; Y24-V26 HydrophobicContact CD2-CG2 3.95Å; Y24-V26 HydrophobicContact CE2-CG2 4.17Å; Y24-A42 HydrophobicContact CD2-CB 3.72Å; Y24-A42 HydrophobicContact CE2-CB 3.35Å; Y24-A42 HydrophobicContact CG-CB 4.5Å; Y24-T44 HydrophobicContact CD1-CG2 3.76Å; Y24-T44 HydrophobicContact CE1-CG2 3.84Å; Y24-F56 AromaticContact CD1-CE1 3.68Å; Y24-F56 HydrophobicContact CD1-CE1 3.68Å; Y24-F56 HydrophobicContact CD1-CZ 4.01Å; Y24-F56 HydrophobicContact CD2-CE1 4.13Å; Y24-F56 HydrophobicContact CE1-CE1 4.34Å; Y24-F56 AromaticContact CG-CE1 3.53Å; Y24-F56 HydrophobicContact CG-CE1 3.53Å; Y24-F56 HydrophobicContact CG-CZ 4.16Å; Y24-L302 CarbonylContact C-O 3.5Å; Y24-L302 WeakPolarHBondContact CA-O 3.33Å
25G98.7Very high97.2Very high0 Ų040.2 Ų40.20%022%0.224CC..EExtended strand (participates in β ladder)trans-134.3145.4166.800000109.5E15 C282 L302E15-G25 CarbonylContact O-C 3.47Å; E15-G25 WeakPolarHBondContact O-CA 3.46Å; G25-C282 PolarHBondContact O-SG 3.49Å; G25-L302 PolarHBondContact N-O 3.45Å; G25-L302 PolarHBondContact O-N 2.9Å
26V98.8Very high97.2Very high1 Ų139.3 Ų39.31%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-128.5138.4176.9-172.90000108.1N14 E15 Y24 T28 H40 A42 V300 V301N14-V26 WeakPolarHBondContact CA-O 3.37Å; N14-V26 PolarHBondContact OD1-O 3.18Å; E15-V26 HydrophobicContact CB-CB 4.03Å; E15-V26 HydrophobicContact CB-CG2 4.21Å; E15-V26 PolarHBondContact N-O 3.4Å; E15-V26 VanDerWaalsContact N-O 3.12Å; E15-V26 PolarHBondContact O-N 3.09Å; Y24-V26 HydrophobicContact CD2-CG2 3.95Å; Y24-V26 HydrophobicContact CE2-CG2 4.17Å; V26-T28 HydrophobicContact CG1-CG2 4.37Å; V26-H40 HydrophobicContact CG1-CB 4.49Å; V26-A42 HydrophobicContact CG2-CB 3.86Å; V26-V300 VanDerWaalsContact CA-O 3.29Å; V26-V300 WeakPolarHBondContact CA-O 3.28Å; V26-V300 WeakPolarHBondContact CG1-O 3.13Å; V26-V301 HydrophobicContact CG1-CG2 4.03Å; V26-V301 HydrophobicContact CG2-CB 4.47Å; V26-V301 HydrophobicContact CG2-CG1 4.19Å; V26-V301 HydrophobicContact CG2-CG2 3.99Å
27A98.7Very high97.2Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-134.1141.9163.300000109.9A13 C282 N283 L286 V300A13-A27 WeakPolarHBondContact O-CA 3.44Å; A27-C282 HydrophobicContact CB-CB 3.51Å; A27-N283 WeakPolarHBondContact CB-OD1 3.43Å; A27-L286 HydrophobicContact CB-CD1 3.73Å; A27-L286 HydrophobicContact CB-CG 4.2Å; A27-V300 HydrophobicContact CB-CG1 4.19Å; A27-V300 PolarHBondContact N-O 3.47Å; A27-V300 PolarHBondContact O-N 3.25Å
28T98.5Very high97.2Very high18 Ų1836.5 Ų36.511%0.1119%0.194CC..EExtended strand (participates in β ladder)trans-130145.7169.572.10000110.7K12 A13 V26 M36 M298 S299K12-T28 VanDerWaalsContact CA-O 3.26Å; K12-T28 WeakPolarHBondContact CA-O 3.37Å; A13-T28 PolarHBondContact N-O 3.36Å; A13-T28 PolarHBondContact O-N 3.48Å; V26-T28 HydrophobicContact CG1-CG2 4.37Å; T28-M36 HydrophobicContact CG2-CE 4.45Å; T28-M298 CarbonylContact C-O 3.45Å; T28-M298 VanDerWaalsContact CA-O 3.28Å; T28-M298 WeakPolarHBondContact CA-O 3.43Å; T28-S299 WeakPolarHBondContact CG2-OG 3.39Å
29M98.4Very high97.3Very high2 Ų231.4 Ų31.41%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-146.6130.2-178.1-176.3171.568.100110.2R9 V10 K12 G31 L286 L290 M298R9-M29 WeakPolarHBondContact O-CG 3.49Å; V10-M29 HydrophobicContact CB-SD 4.38Å; K12-M29 HydrophobicContact CG-CB 4.42Å; K12-M29 HydrophobicContact CG-SD 4.33Å; M29-G31 PolarHBondContact O-N 3.45Å; M29-L286 HydrophobicContact CB-CD1 3.65Å; M29-L286 HydrophobicContact CE-CB 3.94Å; M29-L290 HydrophobicContact CE-CB 3.68Å; M29-L290 HydrophobicContact CE-CD1 4.21Å; M29-L290 HydrophobicContact CE-CD2 3.72Å; M29-L290 HydrophobicContact CE-CG 4.05Å; M29-L290 HydrophobicContact SD-CD2 4.07Å; M29-M298 HydrophobicContact CE-CE 3.28Å; M29-M298 HydrophobicContact CE-SD 4.07Å; M29-M298 PolarHBondContact N-O 3.23Å; M29-M298 PolarHBondContact O-N 3.33Å
30Q98.2Very high97.4Very high24 Ų2433.4 Ų33.411%0.11218%0.175CC..EExtended strand (participates in β ladder)trans-68.7-35-178.9-176.8178.1-32.800112.3R9 W32 R33 I34 M36 N297R9-Q30 HydrophobicContact CB-CB 4.12Å; Q30-W32 PolarHBondContact O-N 3.04Å; Q30-R33 PolarHBondContact NE2-O 2.97Å; Q30-I34 PolarHBondContact NE2-O 3.39Å; Q30-M36 HydrophobicContact CB-CB 4.16Å; Q30-M36 HydrophobicContact CB-SD 4.3Å; Q30-M36 HydrophobicContact CG-CB 3.99Å; Q30-N297 PolarHBondContact O-ND2 3.02Å
31G97Very high97.7Very high0 Ų032.6 Ų32.60%017%0.166CC..EExtended strand (participates in β ladder)trans66.8-135.4176.900000112P8 R9 M29P8-G31 CarbonylContact C-O 3.45Å; P8-G31 WeakPolarHBondContact CA-O 3.36Å; R9-G31 PolarHBondContact N-O 3.5Å; R9-G31 PolarHBondContact O-N 3.02Å; M29-G31 PolarHBondContact O-N 3.45Å
32W97.2Very high98Very high53 Ų5329.8 Ų29.820%0.20114%0.137CC..EExtended strand (participates in β ladder)trans-86.3-12.8-173.9-70.792.2000114.4Y4 L5 P8 Q30 R295Y4-W32 CarbonylContact C-O 3.51Å; Y4-W32 VanDerWaalsContact CA-O 3.24Å; Y4-W32 WeakPolarHBondContact CA-O 3.47Å; Y4-W32 HydrophobicContact CD1-CB 3.96Å; L5-W32 PolarHBondContact N-O 3.41Å; P8-W32 HydrophobicContact CB-CD2 3.88Å; P8-W32 HydrophobicContact CB-CE3 4.43Å; P8-W32 HydrophobicContact CB-CG 4.02Å; P8-W32 HydrophobicContact CB-CZ2 4.44Å; P8-W32 HydrophobicContact CG-CD2 4.24Å; P8-W32 HydrophobicContact CG-CH2 4.36Å; P8-W32 HydrophobicContact CG-CZ2 3.91Å; Q30-W32 PolarHBondContact O-N 3.04Å; W32-R295 HydrophobicContact CB-CB 4.12Å; W32-R295 HydrophobicContact CG-CB 4.32Å
33R97.1Very high98.1Very high60 Ų6036.3 Ų36.323%0.22616%0.161CC..EExtended strand (participates in β ladder)trans-69.7150.1-179.2-61.4-62.3-149.585.23.9111.3L5 Q30 E35 D296 N297L5-R33 WeakPolarHBondContact CD1-O 3.34Å; L5-R33 WeakPolarHBondContact CG-O 3.43Å; Q30-R33 PolarHBondContact NE2-O 2.97Å; R33-E35 VanDerWaalsContact C-N 3.31Å; R33-E35 WeakPolarHBondContact CB-O 3.44Å; R33-E35 PolarHBondContact O-N 3.05Å; R33-D296 IonicContact CZ-OD1 3.64Å; R33-D296 IonicContact CZ-OD2 3.55Å; R33-D296 IonicContact NE-OD1 2.97Å; R33-D296 PolarHBondContact NE-OD1 2.96Å; R33-D296 IonicContact NE-OD2 3.73Å; R33-D296 PolarHBondContact NE-OD2 3.19Å; R33-D296 IonicContact NH1-OD1 3.74Å; R33-D296 IonicContact NH2-OD1 2.84Å; R33-D296 PolarHBondContact NH2-OD1 2.87Å; R33-D296 IonicContact NH2-OD2 3.22Å; R33-D296 PolarHBondContact NH2-OD2 3.28Å; R33-N297 WeakPolarHBondContact CB-ND2 3.37Å
34I96.7Very high98.1Very high65 Ų6533 Ų3333%0.33315%0.152SC..SBendtrans-66.1-35.5176.7-67.5174.6000112G2 T3 L5 Q30G2-I34 WeakPolarHBondContact O-CD1 3.42Å; T3-I34 PolarHBondContact O-N 3.41Å; L5-I34 HydrophobicContact CD2-CB 4.47Å; L5-I34 HydrophobicContact CD2-CG1 4.09Å; L5-I34 HydrophobicContact CG-CG1 4.4Å; Q30-I34 PolarHBondContact NE2-O 3.39Å
35E96.9Very high97.9Very high122 Ų12236.2 Ų36.257%0.5717%0.17SC*.SBendtrans-117.8157.6-179.3-61.3-59.2153.800110.7R33 E37 N297R33-E35 VanDerWaalsContact C-N 3.31Å; R33-E35 WeakPolarHBondContact CB-O 3.44Å; R33-E35 PolarHBondContact O-N 3.05Å; E35-E37 HydrophobicContact CB-CG 4.14Å; E35-N297 PolarHBondContact O-ND2 3.14Å; E35-N297 PolarHBondContact O-OD1 3.43Å
36M97.7Very high97.7Very high37 Ų3737 Ų3718%0.18217%0.174CC..  trans-102.7106.7168.4178.560.8-177.200108.4T28 Q30 D38 N297T28-M36 HydrophobicContact CG2-CE 4.45Å; Q30-M36 HydrophobicContact CB-CB 4.16Å; Q30-M36 HydrophobicContact CB-SD 4.3Å; Q30-M36 HydrophobicContact CG-CB 3.99Å; M36-D38 HydrophobicContact CE-CB 3.58Å; M36-N297 HydrophobicContact SD-CB 3.92Å
37E98.2Very high97.5Very high27 Ų2745.3 Ų45.313%0.12621%0.213CC..  trans-101.6-18.9-173.8-57.2-170129.600113.6E35 G61 G64 A68 N297E35-E37 HydrophobicContact CB-CG 4.14Å; E37-G61 WeakPolarHBondContact CB-O 3.44Å; E37-G64 WeakPolarHBondContact OE1-CA 3.04Å; E37-G64 PolarHBondContact OE1-N 3.34Å; E37-A68 WeakPolarHBondContact O-CB 3.01Å; E37-N297 PolarHBondContact N-OD1 3.12Å
38D98.6Very high96.9Very high10 Ų1050 Ų505%0.05325%0.246CC..  trans-68.7156177-47.2-4.2000113.3M36 F59 C252 N297 S299M36-D38 HydrophobicContact CE-CB 3.58Å; D38-F59 CarbonylContact C-O 3.46Å; D38-F59 WeakPolarHBondContact CA-O 3.44Å; D38-F59 WeakPolarHBondContact CB-O 3.42Å; D38-C252 PolarHBondContact OD2-SG 2.97Å; D38-N297 VanDerWaalsContact OD1-CB 3.29Å; D38-N297 WeakPolarHBondContact OD1-CB 3.28Å; D38-S299 WeakPolarHBondContact CB-OG 3.46Å; D38-S299 VanDerWaalsContact OD2-CB 3.29Å; D38-S299 WeakPolarHBondContact OD2-CB 3.39Å; D38-S299 PolarHBondContact OD2-N 3.27Å; D38-S299 PolarHBondContact OD2-OG 3.17Å
39A98.7Very high96.5Very high13 Ų1351 Ų5111%0.10725%0.253CS..EExtended strand (participates in β ladder)trans-139169.5165.700000110.5F59 A68 A72A39-F59 HydrophobicContact CB-CB 4.18Å; A39-F59 HydrophobicContact CB-CD2 4.42Å; A39-F59 PolarHBondContact N-O 3.3Å; A39-F59 PolarHBondContact O-N 3.23Å; A39-A68 HydrophobicContact CB-CB 4.4Å; A39-A72 HydrophobicContact CB-CB 3.79Å
40H98.8Very high96.3Very high53 Ų5351.5 Ų51.525%0.24526%0.255CS..EExtended strand (participates in β ladder)trans-146.6163177.671.2-87.4000111.7E15 V26 A57 V301E15-H40 IonicContact OE2-CD2 3.41Å; E15-H40 IonicContact OE2-NE2 2.66Å; E15-H40 PolarHBondContact OE2-NE2 2.76Å; V26-H40 HydrophobicContact CG1-CB 4.49Å; H40-A57 CarbonylContact C-O 3.47Å; H40-A57 VanDerWaalsContact CA-O 3.23Å; H40-A57 WeakPolarHBondContact CA-O 3.42Å; H40-A57 WeakPolarHBondContact CB-O 3.28Å; H40-V301 HydrophobicContact CB-CG2 4.37Å
41V98.5Very high96Very high16 Ų1653.6 Ų53.610%0.09727%0.271CS..EExtended strand (participates in β ladder)trans-130.1133166.1176.90000108.2R43 F55 F56 A57 F59 A72V41-R43 HydrophobicContact CG1-CG 3.83Å; V41-F55 HydrophobicContact CB-CD1 4.32Å; V41-F55 HydrophobicContact CB-CE1 4.24Å; V41-F55 HydrophobicContact CG1-CD1 3.71Å; V41-F55 HydrophobicContact CG1-CE1 4.05Å; V41-F56 CarbonylContact O-C 3.59Å; V41-F56 VanDerWaalsContact O-CA 3.26Å; V41-F56 WeakPolarHBondContact O-CA 3.47Å; V41-A57 HydrophobicContact CB-CB 4.25Å; V41-A57 PolarHBondContact N-O 3.41Å; V41-A57 PolarHBondContact O-N 2.91Å; V41-F59 HydrophobicContact CB-CE2 4.43Å; V41-F59 HydrophobicContact CG2-CE2 3.81Å; V41-F59 HydrophobicContact CG2-CZ 4.3Å; V41-A72 HydrophobicContact CG2-CB 4.09Å; V41-A72 WeakPolarHBondContact CG2-O 3.43Å
42A98.4Very high95.8Very high2 Ų256 Ų562%0.01729%0.288CS..EExtended strand (participates in β ladder)trans-136.2108.616900000109.4Y24 V26 F56Y24-A42 HydrophobicContact CD2-CB 3.72Å; Y24-A42 HydrophobicContact CE2-CB 3.35Å; Y24-A42 HydrophobicContact CG-CB 4.5Å; V26-A42 HydrophobicContact CG2-CB 3.86Å; A42-F56 HydrophobicContact CB-CD1 3.81Å; A42-F56 HydrophobicContact CB-CE1 4.02Å
43R98Very high95.8Very high142 Ų14254 Ų5454%0.53628%0.281SS..EExtended strand (participates in β ladder)trans-134.4120.6-176.5-67.9-69.1-175.2-1224109.4V41 L46 S54 F55 L76V41-R43 HydrophobicContact CG1-CG 3.83Å; R43-L46 HydrophobicContact CB-CD2 3.65Å; R43-S54 CarbonylContact O-C 3.49Å; R43-S54 VanDerWaalsContact O-CA 3.24Å; R43-S54 WeakPolarHBondContact O-CA 3.37Å; R43-S54 WeakPolarHBondContact O-CB 3.43Å; R43-F55 PolarHBondContact N-O 2.88Å; R43-F55 PolarHBondContact O-N 3.36Å; R43-L76 HydrophobicContact CG-CD2 4.46Å
44T97.4Very high95.8Very high28 Ų2851.2 Ų51.217%0.17227%0.27CS..EExtended strand (participates in β ladder)trans-106.6162.4166.457.10000108.7N18 V22 Y24 F56N18-T44 PolarHBondContact O-OG1 3.1Å; V22-T44 HydrophobicContact CG2-CG2 3.9Å; Y24-T44 HydrophobicContact CD1-CG2 3.76Å; Y24-T44 HydrophobicContact CE1-CG2 3.84Å; T44-F56 HydrophobicContact CG2-CE1 4.43Å; T44-F56 HydrophobicContact CG2-CZ 3.78Å
45N95.2Very high95.9Very high88 Ų8848.1 Ų48.147%0.47126%0.255SS..SBendtrans52.659.1179.6-65.6108.7000112.9G19 A20 S51 W53G19-N45 WeakPolarHBondContact CA-OD1 3.33Å; A20-N45 PolarHBondContact N-OD1 3.43Å; N45-S51 WeakPolarHBondContact CA-O 3.45Å; N45-S51 PolarHBondContact ND2-O 3.44Å; N45-W53 PolarHBondContact N-O 3.44Å
46L95.6Very high96Very high15 Ų1542.3 Ų42.38%0.07923%0.227CC..PPolyproline II helixtrans-56.6159.8179.8-55.3-174.4000112R43 W50 S51 W53 F55 L76 L146R43-L46 HydrophobicContact CB-CD2 3.65Å; L46-W50 HydrophobicContact CB-CB 3.82Å; L46-W50 WeakPolarHBondContact CB-O 3.18Å; L46-W50 HydrophobicContact CD1-CB 4.44Å; L46-W50 CarbonylContact O-C 3.56Å; L46-S51 WeakPolarHBondContact O-CA 3.49Å; L46-S51 PolarHBondContact O-N 3.19Å; L46-W53 HydrophobicContact CD1-CB 4Å; L46-W53 HydrophobicContact CG-CB 4.35Å; L46-W53 PolarHBondContact N-O 2.99Å; L46-F55 HydrophobicContact CD1-CB 4.19Å; L46-F55 HydrophobicContact CD2-CB 4.19Å; L46-L76 HydrophobicContact CD1-CD1 4.24Å; L46-L76 HydrophobicContact CD2-CD2 3.97Å; L46-L146 HydrophobicContact CD1-CD1 3.95Å
47E92.6Very high96.1Very high176 Ų17640.5 Ų40.582%0.82222%0.219SC*.SBendtrans-59.5145.8-178.7-64.1-171.817400112.4W50E47-W50 WeakPolarHBondContact O-CB 3.47Å; E47-W50 VanDerWaalsContact O-CD1 3.24Å; E47-W50 PolarHBondContact O-N 3.27Å
48S87.8Confident96.1Very high99 Ų9939.2 Ų39.269%0.69221%0.213SC*.THydrogen-bonded Turntrans-51.2135.1-178.5178.20000112.5
49P90.1Very high96.1Very high39 Ų3938.8 Ų38.825%0.25321%0.21SC..THydrogen-bonded Turncis-89.68.812.538.6-40.7000114.9S51 K89P49-S51 VanDerWaalsContact C-N 3.27Å; P49-S51 PolarHBondContact O-N 3.32Å; P49-K89 HydrophobicContact CG-CB 4.32Å; P49-K89 HydrophobicContact CG-CD 4.15Å; P49-K89 HydrophobicContact CG-CG 3.92Å
50W92.9Very high96.1Very high13 Ų1338.7 Ų38.75%0.04921%0.208CC..  trans-90.224.3-170.5-41.4113.3000113.3L46 E47 S52 W53 M85 L88 K89 L92L46-W50 HydrophobicContact CB-CB 3.82Å; L46-W50 WeakPolarHBondContact CB-O 3.18Å; L46-W50 HydrophobicContact CD1-CB 4.44Å; L46-W50 CarbonylContact O-C 3.56Å; E47-W50 WeakPolarHBondContact O-CB 3.47Å; E47-W50 VanDerWaalsContact O-CD1 3.24Å; E47-W50 PolarHBondContact O-N 3.27Å; W50-S52 PolarHBondContact O-N 3.04Å; W50-S52 VanDerWaalsContact O-N 3.08Å; W50-W53 HydrophobicContact CB-CB 4.23Å; W50-W53 HydrophobicContact CB-CD2 4.43Å; W50-W53 HydrophobicContact CB-CG 4.24Å; W50-W53 AromaticContact CE3-CD2 3.96Å; W50-W53 HydrophobicContact CE3-CD2 3.96Å; W50-W53 AromaticContact CE3-CE2 3.83Å; W50-W53 AromaticContact CE3-CE3 3.97Å; W50-W53 HydrophobicContact CE3-CE3 3.97Å; W50-W53 AromaticContact CE3-CH2 3.83Å; W50-W53 HydrophobicContact CE3-CH2 3.83Å; W50-W53 AromaticContact CE3-CZ2 3.78Å; W50-W53 HydrophobicContact CE3-CZ2 3.78Å; W50-W53 AromaticContact CE3-CZ3 3.92Å; W50-W53 HydrophobicContact CE3-CZ3 3.92Å; W50-W53 AromaticContact CZ3-CH2 3.7Å; W50-W53 HydrophobicContact CZ3-CH2 3.7Å; W50-W53 AromaticContact CZ3-CZ2 3.81Å; W50-W53 HydrophobicContact CZ3-CZ2 3.81Å; W50-W53 HydrophobicContact CZ3-CZ3 4.12Å; W50-W53 WeakPolarHBondContact O-CA 3.37Å; W50-W53 VanDerWaalsContact O-CB 3.3Å; W50-W53 WeakPolarHBondContact O-CB 3.44Å; W50-W53 PolarHBondContact O-N 3.38Å; W50-M85 HydrophobicContact CD2-CE 4.32Å; W50-M85 HydrophobicContact CE3-CE 4.21Å; W50-M85 HydrophobicContact CH2-CE 3.44Å; W50-M85 VanDerWaalsContact CH2-CE 3.44Å; W50-M85 HydrophobicContact CZ2-CE 3.54Å; W50-M85 HydrophobicContact CZ3-CE 3.78Å; W50-L88 HydrophobicContact CH2-CB 4.03Å; W50-L88 HydrophobicContact CH2-CD2 3.76Å; W50-L88 HydrophobicContact CH2-CG 3.74Å; W50-L88 HydrophobicContact CZ3-CD2 3.72Å; W50-L88 HydrophobicContact CZ3-CG 3.95Å; W50-K89 HydrophobicContact CH2-CB 4.18Å; W50-K89 HydrophobicContact CZ2-CB 3.87Å; W50-L92 HydrophobicContact CE3-CD1 4.37Å; W50-L92 HydrophobicContact CH2-CD1 4.25Å; W50-L92 HydrophobicContact CZ3-CD1 3.57Å
51S92.6Very high96.1Very high67 Ų6736.2 Ų36.247%0.46920%0.197SC..THydrogen-bonded Turntrans-63.7-19.1-171.159.10000115.1N45 L46 P49N45-S51 WeakPolarHBondContact CA-O 3.45Å; N45-S51 PolarHBondContact ND2-O 3.44Å; L46-S51 WeakPolarHBondContact O-CA 3.49Å; L46-S51 PolarHBondContact O-N 3.19Å; P49-S51 VanDerWaalsContact C-N 3.27Å; P49-S51 PolarHBondContact O-N 3.32Å
52S93.3Very high96Very high51 Ų5137.1 Ų37.136%0.35720%0.2SC..THydrogen-bonded Turntrans-93.44.3173.161.70000113.5W50W50-S52 PolarHBondContact O-N 3.04Å; W50-S52 VanDerWaalsContact O-N 3.08Å
53W96.3Very high95.9Very high11 Ų1140.2 Ų40.24%0.04223%0.226CC..  trans-103.7157.3-179-62.923.4000110.1N45 L46 W50 M85 L88 L102 V110 L146 I147 T148N45-W53 PolarHBondContact N-O 3.44Å; L46-W53 HydrophobicContact CD1-CB 4Å; L46-W53 HydrophobicContact CG-CB 4.35Å; L46-W53 PolarHBondContact N-O 2.99Å; W50-W53 HydrophobicContact CB-CB 4.23Å; W50-W53 HydrophobicContact CB-CD2 4.43Å; W50-W53 HydrophobicContact CB-CG 4.24Å; W50-W53 AromaticContact CE3-CD2 3.96Å; W50-W53 HydrophobicContact CE3-CD2 3.96Å; W50-W53 AromaticContact CE3-CE2 3.83Å; W50-W53 AromaticContact CE3-CE3 3.97Å; W50-W53 HydrophobicContact CE3-CE3 3.97Å; W50-W53 AromaticContact CE3-CH2 3.83Å; W50-W53 HydrophobicContact CE3-CH2 3.83Å; W50-W53 AromaticContact CE3-CZ2 3.78Å; W50-W53 HydrophobicContact CE3-CZ2 3.78Å; W50-W53 AromaticContact CE3-CZ3 3.92Å; W50-W53 HydrophobicContact CE3-CZ3 3.92Å; W50-W53 AromaticContact CZ3-CH2 3.7Å; W50-W53 HydrophobicContact CZ3-CH2 3.7Å; W50-W53 AromaticContact CZ3-CZ2 3.81Å; W50-W53 HydrophobicContact CZ3-CZ2 3.81Å; W50-W53 HydrophobicContact CZ3-CZ3 4.12Å; W50-W53 WeakPolarHBondContact O-CA 3.37Å; W50-W53 VanDerWaalsContact O-CB 3.3Å; W50-W53 WeakPolarHBondContact O-CB 3.44Å; W50-W53 PolarHBondContact O-N 3.38Å; W53-M85 HydrophobicContact CH2-CE 4.18Å; W53-M85 HydrophobicContact CZ3-CE 3.79Å; W53-L88 HydrophobicContact CH2-CD2 3.77Å; W53-L88 HydrophobicContact CZ2-CD2 4.43Å; W53-L102 HydrophobicContact CH2-CD1 3.99Å; W53-L102 HydrophobicContact CZ2-CD1 3.86Å; W53-L102 HydrophobicContact CZ2-CD2 4.15Å; W53-L102 HydrophobicContact CZ2-CG 4.43Å; W53-V110 HydrophobicContact CH2-CG2 3.58Å; W53-V110 HydrophobicContact CZ3-CG2 4.08Å; W53-L146 HydrophobicContact CE3-CD1 4.04Å; W53-L146 HydrophobicContact CE3-CD2 3.54Å; W53-L146 HydrophobicContact CE3-CG 3.88Å; W53-L146 HydrophobicContact CZ3-CD2 3.45Å; W53-L146 VanDerWaalsContact CZ3-CD2 3.45Å; W53-L146 HydrophobicContact CZ3-CG 4.29Å; W53-I147 CarbonylContact C-O 3.54Å; W53-I147 WeakPolarHBondContact CA-O 3.15Å; W53-T148 HydrophobicContact CD2-CG2 3.55Å; W53-T148 VanDerWaalsContact CE2-CG2 3.48Å; W53-T148 HydrophobicContact CE3-CG2 3.85Å; W53-T148 HydrophobicContact CG-CG2 4.05Å; W53-T148 HydrophobicContact CH2-CG2 4.02Å; W53-T148 HydrophobicContact CZ2-CG2 3.75Å; W53-T148 HydrophobicContact CZ3-CG2 4.07Å
54S98Very high95.8Very high1 Ų134.3 Ų34.31%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-135.7145.6173-56.60000110.1R43 L146 I147R43-S54 CarbonylContact O-C 3.49Å; R43-S54 VanDerWaalsContact O-CA 3.24Å; R43-S54 WeakPolarHBondContact O-CA 3.37Å; R43-S54 WeakPolarHBondContact O-CB 3.43Å; S54-L146 CarbonylContact O-C 3.59Å; S54-L146 WeakPolarHBondContact O-CA 3.22Å; S54-I147 PolarHBondContact N-O 3.26Å; S54-I147 PolarHBondContact O-N 2.92Å
55F98.6Very high95.7Very high0 Ų034 Ų340%021%0.207CC..EExtended strand (participates in β ladder)trans-127128.3179.5-177.3-102.7000110.5V41 R43 L46 A57 L75 L76 C144 A145 L146V41-F55 HydrophobicContact CB-CD1 4.32Å; V41-F55 HydrophobicContact CB-CE1 4.24Å; V41-F55 HydrophobicContact CG1-CD1 3.71Å; V41-F55 HydrophobicContact CG1-CE1 4.05Å; R43-F55 PolarHBondContact N-O 2.88Å; R43-F55 PolarHBondContact O-N 3.36Å; L46-F55 HydrophobicContact CD1-CB 4.19Å; L46-F55 HydrophobicContact CD2-CB 4.19Å; F55-A57 HydrophobicContact CE1-CB 4.03Å; F55-A57 HydrophobicContact CZ-CB 4.17Å; F55-L75 HydrophobicContact CZ-CD2 4.03Å; F55-L75 HydrophobicContact CZ-CG 4.29Å; F55-L76 HydrophobicContact CB-CD1 4.03Å; F55-L76 HydrophobicContact CB-CD2 4.32Å; F55-L76 HydrophobicContact CD1-CB 4.13Å; F55-L76 HydrophobicContact CD1-CD1 4.07Å; F55-L76 HydrophobicContact CD1-CD2 4.18Å; F55-L76 HydrophobicContact CD1-CG 4.36Å; F55-L76 HydrophobicContact CD2-CD1 4.22Å; F55-L76 HydrophobicContact CE1-CB 4.17Å; F55-L76 HydrophobicContact CG-CD1 3.84Å; F55-L76 HydrophobicContact CG-CD2 4.46Å; F55-C144 HydrophobicContact CE2-CB 3.86Å; F55-C144 HydrophobicContact CZ-CB 3.77Å; F55-A145 WeakPolarHBondContact CA-O 3.31Å; F55-L146 HydrophobicContact CB-CD1 4Å; F55-L146 HydrophobicContact CD2-CB 4.33Å; F55-L146 HydrophobicContact CD2-CD1 3.9Å; F55-L146 HydrophobicContact CG-CD1 4.44Å
56F98.8Very high95.8Very high0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-130.9140.6179.7-59.2-79.2000109.6V22 Y24 V41 A42 T44 C144 A145 I147 L250 V301 V303V22-F56 HydrophobicContact CG2-CE2 4.31Å; V22-F56 HydrophobicContact CG2-CZ 4.17Å; Y24-F56 AromaticContact CD1-CE1 3.68Å; Y24-F56 HydrophobicContact CD1-CE1 3.68Å; Y24-F56 HydrophobicContact CD1-CZ 4.01Å; Y24-F56 HydrophobicContact CD2-CE1 4.13Å; Y24-F56 HydrophobicContact CE1-CE1 4.34Å; Y24-F56 AromaticContact CG-CE1 3.53Å; Y24-F56 HydrophobicContact CG-CE1 3.53Å; Y24-F56 HydrophobicContact CG-CZ 4.16Å; V41-F56 CarbonylContact O-C 3.59Å; V41-F56 VanDerWaalsContact O-CA 3.26Å; V41-F56 WeakPolarHBondContact O-CA 3.47Å; A42-F56 HydrophobicContact CB-CD1 3.81Å; A42-F56 HydrophobicContact CB-CE1 4.02Å; T44-F56 HydrophobicContact CG2-CE1 4.43Å; T44-F56 HydrophobicContact CG2-CZ 3.78Å; F56-C144 CarbonylContact O-C 3.53Å; F56-C144 WeakPolarHBondContact O-CA 3.2Å; F56-C144 WeakPolarHBondContact O-CB 3.27Å; F56-A145 PolarHBondContact N-O 3.13Å; F56-A145 PolarHBondContact O-N 3.02Å; F56-I147 HydrophobicContact CD2-CD1 4.04Å; F56-I147 HydrophobicContact CD2-CG1 4.5Å; F56-I147 HydrophobicContact CE2-CD1 3.83Å; F56-L250 HydrophobicContact CB-CD1 3.64Å; F56-L250 WeakPolarHBondContact O-CD1 3.28Å; F56-V301 HydrophobicContact CB-CG1 4.06Å; F56-V301 HydrophobicContact CD1-CG1 3.75Å; F56-V301 HydrophobicContact CG-CG1 4.19Å; F56-V303 HydrophobicContact CB-CG2 4.48Å; F56-V303 HydrophobicContact CD1-CG2 3.89Å; F56-V303 HydrophobicContact CD2-CG2 3.66Å; F56-V303 HydrophobicContact CE1-CG2 3.98Å; F56-V303 HydrophobicContact CE2-CB 4.48Å; F56-V303 HydrophobicContact CE2-CG1 3.89Å; F56-V303 HydrophobicContact CE2-CG2 3.73Å; F56-V303 HydrophobicContact CG-CG2 3.73Å; F56-V303 HydrophobicContact CZ-CG1 4.11Å; F56-V303 HydrophobicContact CZ-CG2 3.88Å
57A98.9Very high96Very high0 Ų035.3 Ų35.30%021%0.205CC..EExtended strand (participates in β ladder)trans-153.1148.5178.100000112.3H40 V41 F55 F59 V143 C144H40-A57 CarbonylContact C-O 3.47Å; H40-A57 VanDerWaalsContact CA-O 3.23Å; H40-A57 WeakPolarHBondContact CA-O 3.42Å; H40-A57 WeakPolarHBondContact CB-O 3.28Å; V41-A57 HydrophobicContact CB-CB 4.25Å; V41-A57 PolarHBondContact N-O 3.41Å; V41-A57 PolarHBondContact O-N 2.91Å; F55-A57 HydrophobicContact CE1-CB 4.03Å; F55-A57 HydrophobicContact CZ-CB 4.17Å; A57-F59 HydrophobicContact CB-CD2 4.32Å; A57-F59 HydrophobicContact CB-CE2 3.44Å; A57-F59 VanDerWaalsContact CB-CE2 3.44Å; A57-F59 HydrophobicContact CB-CZ 3.7Å; A57-V143 CarbonylContact C-O 3.58Å; A57-V143 VanDerWaalsContact CA-O 3.22Å; A57-V143 WeakPolarHBondContact CA-O 3.4Å; A57-C144 HydrophobicContact CB-CB 3.53Å
58V98.9Very high96.2Very high0 Ų026.9 Ų26.90%017%0.166CC..EExtended strand (participates in β ladder)trans-119.7135.4166.9174.70000108V143 L250 C252 V301V58-V143 HydrophobicContact CB-CG1 4.03Å; V58-V143 PolarHBondContact N-O 3.25Å; V58-V143 PolarHBondContact O-N 2.9Å; V58-L250 HydrophobicContact CG2-CB 3.92Å; V58-C252 HydrophobicContact CG1-CB 4.24Å; V58-V301 HydrophobicContact CG2-CB 4.36Å; V58-V301 HydrophobicContact CG2-CG2 3.7Å
59F98.8Very high96.7Very high0 Ų028.9 Ų28.90%016%0.158CC..EExtended strand (participates in β ladder)trans-120.9114.2179.5-56-100.4000107.2D38 A39 V41 A57 A68 A71 A72 L75 T141 V142D38-F59 CarbonylContact C-O 3.46Å; D38-F59 WeakPolarHBondContact CA-O 3.44Å; D38-F59 WeakPolarHBondContact CB-O 3.42Å; A39-F59 HydrophobicContact CB-CB 4.18Å; A39-F59 HydrophobicContact CB-CD2 4.42Å; A39-F59 PolarHBondContact N-O 3.3Å; A39-F59 PolarHBondContact O-N 3.23Å; V41-F59 HydrophobicContact CB-CE2 4.43Å; V41-F59 HydrophobicContact CG2-CE2 3.81Å; V41-F59 HydrophobicContact CG2-CZ 4.3Å; A57-F59 HydrophobicContact CB-CD2 4.32Å; A57-F59 HydrophobicContact CB-CE2 3.44Å; A57-F59 VanDerWaalsContact CB-CE2 3.44Å; A57-F59 HydrophobicContact CB-CZ 3.7Å; F59-A68 HydrophobicContact CB-CB 4.08Å; F59-A71 HydrophobicContact CD1-CB 3.71Å; F59-A71 HydrophobicContact CE1-CB 3.64Å; F59-A72 HydrophobicContact CD2-CB 3.75Å; F59-A72 HydrophobicContact CE2-CB 3.68Å; F59-A72 HydrophobicContact CG-CB 4.28Å; F59-A72 HydrophobicContact CZ-CB 4.15Å; F59-L75 HydrophobicContact CE1-CD2 3.96Å; F59-L75 HydrophobicContact CZ-CB 4.48Å; F59-L75 HydrophobicContact CZ-CD2 3.96Å; F59-T141 VanDerWaalsContact CA-O 3.29Å; F59-T141 WeakPolarHBondContact CA-O 3.46Å; F59-V142 HydrophobicContact CD1-CB 4.29Å; F59-V142 HydrophobicContact CD1-CG1 3.96Å; F59-V142 HydrophobicContact CD1-CG2 3.66Å; F59-V142 HydrophobicContact CE1-CB 4.36Å; F59-V142 HydrophobicContact CE1-CG1 3.62Å; F59-V142 HydrophobicContact CE1-CG2 3.88Å; F59-V142 HydrophobicContact CZ-CG1 4.19Å
60D98.7Very high97.1Very high12 Ų1230.4 Ų30.46%0.06416%0.159CC..EExtended strand (participates in β ladder)trans-95.6114.6174-169.5-24.6000107.5S140 T141 C252D60-S140 CarbonylContact O-C 3.48Å; D60-S140 WeakPolarHBondContact O-CA 3.43Å; D60-S140 WeakPolarHBondContact O-CB 3.38Å; D60-S140 PolarHBondContact O-OG 2.83Å; D60-T141 HydrophobicContact CB-CG2 4.36Å; D60-T141 WeakPolarHBondContact CB-OG1 3.31Å; D60-T141 PolarHBondContact N-O 3.08Å; D60-T141 PolarHBondContact O-N 3.06Å; D60-C252 HydrophobicContact CB-CB 3.98Å; D60-C252 WeakPolarHBondContact OD2-CB 3.19Å
61G98.3Very high97.4Very high1 Ų129.8 Ų29.81%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-92.5145.7-177.500000111.1E37E37-G61 WeakPolarHBondContact CB-O 3.44Å
62H97.3Very high97.7Very high35 Ų3527.5 Ų27.516%0.16214%0.142CC..EExtended strand (participates in β ladder)trans-135.5149.617357.4-103.6000111.2G64 S138 G139 D212H62-G64 PolarHBondContact O-N 2.84Å; H62-S138 WeakPolarHBondContact O-CA 3.4Å; H62-S138 WeakPolarHBondContact O-CB 3.36Å; H62-G139 VanDerWaalsContact CE1-C 3.49Å; H62-G139 PolarHBondContact N-O 3.34Å; H62-G139 VanDerWaalsContact NE2-CA 3.32Å; H62-G139 WeakPolarHBondContact NE2-CA 3.24Å; H62-G139 PolarHBondContact NE2-N 2.95Å; H62-G139 PolarHBondContact O-N 3.46Å; H62-D212 IonicContact CD2-OD1 3.33Å; H62-D212 IonicContact CE1-OD1 2.94Å; H62-D212 IonicContact CE1-OD2 3.23Å; H62-D212 PolarHBondContact CE1-OD2 3.46Å; H62-D212 VanDerWaalsContact CE1-OD2 3.22Å; H62-D212 IonicContact NE2-OD1 2.91Å; H62-D212 PolarHBondContact NE2-OD1 3.33Å; H62-D212 IonicContact NE2-OD2 3.5Å; H62-D212 PolarHBondContact NE2-OD2 2.94Å
63A95.3Very high97.9Very high67 Ų6728.4 Ų28.455%0.55415%0.153SC*.SBendtrans56.629.3-178.400000113.8K137A63-K137 HydrophobicContact CB-CB 4.43Å
64G95.6Very high98Very high18 Ų1830.1 Ų30.119%0.18616%0.163CC..  trans129.5155.5-175.300000111.9E37 H62 S138E37-G64 WeakPolarHBondContact OE1-CA 3.04Å; E37-G64 PolarHBondContact OE1-N 3.34Å; H62-G64 PolarHBondContact O-N 2.84Å; G64-S138 VanDerWaalsContact O-CB 3.28Å; G64-S138 WeakPolarHBondContact O-CB 3.3Å
65S96.6Very high98.1Very high20 Ų2030.2 Ų30.214%0.1416%0.163CC..SBendtrans-970.9-178.145.60000114R69S65-R69 VanDerWaalsContact CB-CZ 3.48Å; S65-R69 WeakPolarHBondContact O-CB 3.32Å; S65-R69 VanDerWaalsContact O-CG 3.27Å; S65-R69 WeakPolarHBondContact O-CG 3.47Å; S65-R69 PolarHBondContact O-N 2.93Å; S65-R69 PolarHBondContact OG-NH1 3.13Å; S65-R69 PolarHBondContact OG-NH2 3.28Å
66R97.5Very high98Very high131 Ų13131.6 Ų31.649%0.49417%0.17SC..Hα-helixtrans-69.6-47.3-169-60.3-163.3-172.7-174.1-5.3112.2R69 Y70 E130 L131 E136R66-R69 PolarHBondContact O-N 3.01Å; R66-Y70 VanDerWaalsContact O-CB 3.31Å; R66-Y70 WeakPolarHBondContact O-CB 3.4Å; R66-Y70 PolarHBondContact O-N 2.86Å; R66-E130 PolarHBondContact NH1-O 2.8Å; R66-L131 HydrophobicContact CB-CD2 3.5Å; R66-E136 WeakPolarHBondContact CD-OE2 3.3Å; R66-E136 IonicContact CZ-OE2 3.23Å; R66-E136 IonicContact NE-OE2 2.75Å; R66-E136 PolarHBondContact NE-OE2 3.24Å; R66-E136 IonicContact NH1-OE2 2.83Å
67V98.3Very high98Very high0 Ų036.2 Ų36.20%020%0.195CC..Hα-helixtrans-62.2-46.4177.2171.70000110.9R69 Y70 A71 M125 L131 S138 L210V67-R69 PolarHBondContact O-N 3.25Å; V67-Y70 PolarHBondContact O-N 2.93Å; V67-A71 WeakPolarHBondContact O-CB 3.34Å; V67-A71 PolarHBondContact O-N 3.43Å; V67-M125 HydrophobicContact CG1-CE 4.09Å; V67-M125 HydrophobicContact CG1-SD 4.12Å; V67-L131 HydrophobicContact CG2-CD2 4.45Å; V67-S138 WeakPolarHBondContact CG2-O 3.39Å; V67-S138 WeakPolarHBondContact CG2-OG 3.29Å; V67-L210 HydrophobicContact CG1-CB 3.87Å
68A98.6Very high98Very high0 Ų037.9 Ų37.90%021%0.205CC..Hα-helixtrans-57.4-48.7177.100000112.3E37 A39 F59 A71 A72 S140E37-A68 WeakPolarHBondContact O-CB 3.01Å; A39-A68 HydrophobicContact CB-CB 4.4Å; F59-A68 HydrophobicContact CB-CB 4.08Å; A68-A71 PolarHBondContact O-N 2.92Å; A68-A72 WeakPolarHBondContact O-CB 3.2Å; A68-A72 PolarHBondContact O-N 3.09Å; A68-S140 WeakPolarHBondContact CA-OG 3.39Å; A68-S140 WeakPolarHBondContact CB-OG 3.39Å
69R98.2Very high97.9Very high141 Ų14138 Ų3853%0.53221%0.205SC..Hα-helixtrans-66.8-42.1178.9-71.8178-171.4143.59.2112.9S65 R66 V67 A71 A72 A73S65-R69 VanDerWaalsContact CB-CZ 3.48Å; S65-R69 WeakPolarHBondContact O-CB 3.32Å; S65-R69 VanDerWaalsContact O-CG 3.27Å; S65-R69 WeakPolarHBondContact O-CG 3.47Å; S65-R69 PolarHBondContact O-N 2.93Å; S65-R69 PolarHBondContact OG-NH1 3.13Å; S65-R69 PolarHBondContact OG-NH2 3.28Å; R66-R69 PolarHBondContact O-N 3.01Å; V67-R69 PolarHBondContact O-N 3.25Å; R69-A71 VanDerWaalsContact C-N 3.35Å; R69-A72 PolarHBondContact O-N 3.36Å; R69-A73 WeakPolarHBondContact O-CB 3.45Å; R69-A73 PolarHBondContact O-N 3.43Å
70Y98.4Very high97.9Very high70 Ų7040 Ų4028%0.27522%0.218SC..Hα-helixtrans-64.3-43.6177.2-172.2-81.4000110.6R66 V67 A73 N74 L121 M125 L128 L131R66-Y70 VanDerWaalsContact O-CB 3.31Å; R66-Y70 WeakPolarHBondContact O-CB 3.4Å; R66-Y70 PolarHBondContact O-N 2.86Å; V67-Y70 PolarHBondContact O-N 2.93Å; Y70-A73 PolarHBondContact O-N 2.96Å; Y70-N74 HydrophobicContact CD1-CB 4.43Å; Y70-N74 HydrophobicContact CE1-CB 4.11Å; Y70-N74 WeakPolarHBondContact O-CB 3.25Å; Y70-N74 PolarHBondContact O-N 3.37Å; Y70-N74 VanDerWaalsContact O-N 3.1Å; Y70-N74 PolarHBondContact O-ND2 3.07Å; Y70-L121 HydrophobicContact CD1-CD1 4.11Å; Y70-L121 HydrophobicContact CE1-CD1 3.83Å; Y70-M125 HydrophobicContact CD1-CG 3.29Å; Y70-M125 HydrophobicContact CD1-SD 3.44Å; Y70-M125 WeakPolarHBondContact CD1-SD 3.38Å; Y70-M125 HydrophobicContact CE1-CG 3.44Å; Y70-M125 VanDerWaalsContact CE1-CG 3.44Å; Y70-M125 HydrophobicContact CE1-SD 4.18Å; Y70-M125 HydrophobicContact CG-CG 4.12Å; Y70-M125 HydrophobicContact CG-SD 4.11Å; Y70-L128 HydrophobicContact CD2-CD1 4.36Å; Y70-L128 HydrophobicContact CE1-CD1 4.39Å; Y70-L128 HydrophobicContact CE2-CD1 3.49Å; Y70-L128 VanDerWaalsContact CE2-CD1 3.49Å; Y70-L128 WeakPolarHBondContact OH-CD1 3.46Å; Y70-L131 HydrophobicContact CD1-CD1 4.07Å; Y70-L131 HydrophobicContact CD2-CD1 3.67Å; Y70-L131 HydrophobicContact CE2-CD1 4.18Å; Y70-L131 HydrophobicContact CG-CD1 3.6Å
71A98.6Very high97.8Very high0 Ų043.6 Ų43.60%024%0.244CC..Hα-helixtrans-63.1-45.4177.300000111.7F59 V67 A68 R69 A73 N74 L75 L121 L210F59-A71 HydrophobicContact CD1-CB 3.71Å; F59-A71 HydrophobicContact CE1-CB 3.64Å; V67-A71 WeakPolarHBondContact O-CB 3.34Å; V67-A71 PolarHBondContact O-N 3.43Å; A68-A71 PolarHBondContact O-N 2.92Å; R69-A71 VanDerWaalsContact C-N 3.35Å; A71-A73 VanDerWaalsContact C-N 3.26Å; A71-A73 PolarHBondContact O-N 2.94Å; A71-N74 PolarHBondContact O-N 2.96Å; A71-L75 WeakPolarHBondContact O-CB 3.41Å; A71-L75 PolarHBondContact O-N 3.46Å; A71-L121 HydrophobicContact CB-CD2 4.01Å; A71-L210 HydrophobicContact CB-CD1 3.72Å
72A98.6Very high97.8Very high20 Ų2043.5 Ų43.517%0.16524%0.243CC..Hα-helixtrans-58.4-37.117500000112.7A39 V41 F59 A68 R69A39-A72 HydrophobicContact CB-CB 3.79Å; V41-A72 HydrophobicContact CG2-CB 4.09Å; V41-A72 WeakPolarHBondContact CG2-O 3.43Å; F59-A72 HydrophobicContact CD2-CB 3.75Å; F59-A72 HydrophobicContact CE2-CB 3.68Å; F59-A72 HydrophobicContact CG-CB 4.28Å; F59-A72 HydrophobicContact CZ-CB 4.15Å; A68-A72 WeakPolarHBondContact O-CB 3.2Å; A68-A72 PolarHBondContact O-N 3.09Å; R69-A72 PolarHBondContact O-N 3.36Å
73A98.4Very high97.8Very high70 Ų7044.8 Ų44.858%0.57926%0.256SS*.Hα-helixtrans-75.6-25.7179.600000114.2R69 Y70 A71R69-A73 WeakPolarHBondContact O-CB 3.45Å; R69-A73 PolarHBondContact O-N 3.43Å; Y70-A73 PolarHBondContact O-N 2.96Å; A71-A73 VanDerWaalsContact C-N 3.26Å; A71-A73 PolarHBondContact O-N 2.94Å
74N98.5Very high98Very high47 Ų4743.1 Ų43.125%0.25124%0.237SC..Hα-helixtrans-123-19.7-166.4-65.9-86.9000115.1Y70 A71 L76 D77 V78 L121Y70-N74 HydrophobicContact CD1-CB 4.43Å; Y70-N74 HydrophobicContact CE1-CB 4.11Å; Y70-N74 WeakPolarHBondContact O-CB 3.25Å; Y70-N74 PolarHBondContact O-N 3.37Å; Y70-N74 VanDerWaalsContact O-N 3.1Å; Y70-N74 PolarHBondContact O-ND2 3.07Å; A71-N74 PolarHBondContact O-N 2.96Å; N74-L76 VanDerWaalsContact C-N 3.34Å; N74-L76 PolarHBondContact O-N 2.92Å; N74-D77 PolarHBondContact O-N 3.06Å; N74-V78 WeakPolarHBondContact O-CG2 3.49Å; N74-V78 PolarHBondContact O-N 3.05Å; N74-L121 HydrophobicContact CB-CD1 3.89Å
75L98.6Very high98.1Very high2 Ų242.3 Ų42.31%0.0123%0.228CC..Hα-helixtrans-57.8-44.1-171.5176.660.6000112.7F55 F59 A71 F79 A117 F118 L121 V142F55-L75 HydrophobicContact CZ-CD2 4.03Å; F55-L75 HydrophobicContact CZ-CG 4.29Å; F59-L75 HydrophobicContact CE1-CD2 3.96Å; F59-L75 HydrophobicContact CZ-CB 4.48Å; F59-L75 HydrophobicContact CZ-CD2 3.96Å; A71-L75 WeakPolarHBondContact O-CB 3.41Å; A71-L75 PolarHBondContact O-N 3.46Å; L75-F79 VanDerWaalsContact O-CB 3.31Å; L75-F79 WeakPolarHBondContact O-CB 3.34Å; L75-F79 PolarHBondContact O-N 2.77Å; L75-A117 HydrophobicContact CD1-CB 4.27Å; L75-F118 HydrophobicContact CD1-CD2 3.96Å; L75-F118 HydrophobicContact CD1-CE2 4.01Å; L75-F118 HydrophobicContact CD2-CE2 4.16Å; L75-F118 HydrophobicContact CD2-CZ 4.26Å; L75-L121 HydrophobicContact CB-CD2 3.88Å; L75-L121 HydrophobicContact CD1-CD2 3.78Å; L75-L121 HydrophobicContact CG-CD2 4.39Å; L75-V142 HydrophobicContact CD2-CG1 3.88Å
76L98.1Very high98.1Very high30 Ų3044.6 Ų44.616%0.15724%0.241CC..Hα-helixtrans-64.8-43.2179.5-179.458.9000111.7R43 L46 F55 N74 F79 V80R43-L76 HydrophobicContact CG-CD2 4.46Å; L46-L76 HydrophobicContact CD1-CD1 4.24Å; L46-L76 HydrophobicContact CD2-CD2 3.97Å; F55-L76 HydrophobicContact CB-CD1 4.03Å; F55-L76 HydrophobicContact CB-CD2 4.32Å; F55-L76 HydrophobicContact CD1-CB 4.13Å; F55-L76 HydrophobicContact CD1-CD1 4.07Å; F55-L76 HydrophobicContact CD1-CD2 4.18Å; F55-L76 HydrophobicContact CD1-CG 4.36Å; F55-L76 HydrophobicContact CD2-CD1 4.22Å; F55-L76 HydrophobicContact CE1-CB 4.17Å; F55-L76 HydrophobicContact CG-CD1 3.84Å; F55-L76 HydrophobicContact CG-CD2 4.46Å; N74-L76 VanDerWaalsContact C-N 3.34Å; N74-L76 PolarHBondContact O-N 2.92Å; L76-F79 HydrophobicContact CD1-CD1 4.19Å; L76-F79 WeakPolarHBondContact O-CB 3.35Å; L76-F79 PolarHBondContact O-N 3.25Å; L76-V80 HydrophobicContact CD1-CG1 4.24Å; L76-V80 WeakPolarHBondContact O-CG2 3.46Å; L76-V80 PolarHBondContact O-N 2.87Å
77D97.7Very high98Very high96 Ų9641 Ų4151%0.51323%0.233SC..Hα-helixtrans-65.9-42.5179.8-70.1-9.3000111.7N74 F79 V80 S81N74-D77 PolarHBondContact O-N 3.06Å; D77-F79 VanDerWaalsContact C-N 3.31Å; D77-F79 PolarHBondContact O-N 3.28Å; D77-V80 WeakPolarHBondContact O-CG2 3.34Å; D77-S81 VanDerWaalsContact O-CB 3.26Å; D77-S81 WeakPolarHBondContact O-CB 3.47Å; D77-S81 PolarHBondContact O-N 3.49Å; D77-S81 VanDerWaalsContact O-N 3.14Å; D77-S81 PolarHBondContact O-OG 3.43Å
78V98.3Very high97.9Very high35 Ų3541 Ų4121%0.21223%0.233CC..Hα-helixtrans-62.2-42.1173.7175.60000110.2N74 S81 T82 A117 K120 L121N74-V78 WeakPolarHBondContact O-CG2 3.49Å; N74-V78 PolarHBondContact O-N 3.05Å; V78-S81 PolarHBondContact O-N 3.31Å; V78-T82 WeakPolarHBondContact O-CG2 3.36Å; V78-T82 PolarHBondContact O-N 2.87Å; V78-A117 HydrophobicContact CG1-CB 4.31Å; V78-K120 HydrophobicContact CG1-CB 3.97Å; V78-L121 HydrophobicContact CG1-CB 4.45Å; V78-L121 HydrophobicContact CG2-CD1 4.16Å
79F98.5Very high97.7Very high2 Ų245.7 Ų45.71%0.00925%0.254CS..Hα-helixtrans-61-53.4178.1167.3-113.1000112.8L75 L76 D77 S81 T82 M85 V110 L114 A117 L146L75-F79 VanDerWaalsContact O-CB 3.31Å; L75-F79 WeakPolarHBondContact O-CB 3.34Å; L75-F79 PolarHBondContact O-N 2.77Å; L76-F79 HydrophobicContact CD1-CD1 4.19Å; L76-F79 WeakPolarHBondContact O-CB 3.35Å; L76-F79 PolarHBondContact O-N 3.25Å; D77-F79 VanDerWaalsContact C-N 3.31Å; D77-F79 PolarHBondContact O-N 3.28Å; F79-S81 PolarHBondContact O-N 2.94Å; F79-T82 WeakPolarHBondContact O-CB 3.47Å; F79-T82 WeakPolarHBondContact O-CG2 3.34Å; F79-T82 PolarHBondContact O-N 3.35Å; F79-T82 VanDerWaalsContact O-N 3.08Å; F79-T82 PolarHBondContact O-OG1 2.99Å; F79-M85 HydrophobicContact CD2-CG 4.04Å; F79-M85 HydrophobicContact CE1-CE 3.84Å; F79-M85 HydrophobicContact CE1-CG 4.3Å; F79-M85 HydrophobicContact CE1-SD 4.18Å; F79-M85 HydrophobicContact CE2-CE 4.39Å; F79-M85 HydrophobicContact CE2-CG 3.58Å; F79-M85 HydrophobicContact CE2-SD 3.64Å; F79-M85 HydrophobicContact CZ-CE 3.59Å; F79-M85 HydrophobicContact CZ-CG 3.74Å; F79-M85 HydrophobicContact CZ-SD 3.37Å; F79-M85 WeakPolarHBondContact CZ-SD 3.44Å; F79-M85 VanDerWaalsContact O-CG 3.26Å; F79-M85 WeakPolarHBondContact O-CG 2.94Å; F79-V110 HydrophobicContact CZ-CG1 4.14Å; F79-L114 HydrophobicContact CD1-CD2 4.44Å; F79-L114 HydrophobicContact CD2-CB 4.4Å; F79-L114 HydrophobicContact CD2-CD2 3.64Å; F79-L114 HydrophobicContact CD2-CG 3.88Å; F79-L114 HydrophobicContact CE1-CD2 4.49Å; F79-L114 HydrophobicContact CE2-CB 4.25Å; F79-L114 HydrophobicContact CE2-CD2 3.71Å; F79-L114 HydrophobicContact CE2-CG 3.52Å; F79-L114 HydrophobicContact CG-CD2 4.03Å; F79-L114 HydrophobicContact CZ-CD2 4.13Å; F79-L114 HydrophobicContact CZ-CG 4.08Å; F79-A117 HydrophobicContact CB-CB 3.69Å; F79-A117 HydrophobicContact CD2-CB 4.25Å; F79-A117 HydrophobicContact CG-CB 4.48Å; F79-L146 HydrophobicContact CE1-CD1 4.36Å; F79-L146 HydrophobicContact CE1-CD2 3.62Å; F79-L146 HydrophobicContact CZ-CD2 3.65Å
80V97.3Very high97.4Very high44 Ų4445.4 Ų45.427%0.26726%0.259SS..Hα-helixtrans-66.4-19.7-179.4-60.40000113L76 D77L76-V80 HydrophobicContact CD1-CG1 4.24Å; L76-V80 WeakPolarHBondContact O-CG2 3.46Å; L76-V80 PolarHBondContact O-N 2.87Å; D77-V80 WeakPolarHBondContact O-CG2 3.34Å
81S97.2Very high97.1Very high86 Ų8647 Ų4760%0.60126%0.264SS*.THydrogen-bonded Turntrans-89.6-0.6176.9-56.70000114D77 V78 F79D77-S81 VanDerWaalsContact O-CB 3.26Å; D77-S81 WeakPolarHBondContact O-CB 3.47Å; D77-S81 PolarHBondContact O-N 3.49Å; D77-S81 VanDerWaalsContact O-N 3.14Å; D77-S81 PolarHBondContact O-OG 3.43Å; V78-S81 PolarHBondContact O-N 3.31Å; F79-S81 PolarHBondContact O-N 2.94Å
82T98.4Very high96.6Very high0 Ų048.7 Ų48.70%027%0.273CS..SBendtrans-66.7153175.7600000111.9V78 F79 E84 M85 V86 G113 N116 A117V78-T82 WeakPolarHBondContact O-CG2 3.36Å; V78-T82 PolarHBondContact O-N 2.87Å; F79-T82 WeakPolarHBondContact O-CB 3.47Å; F79-T82 WeakPolarHBondContact O-CG2 3.34Å; F79-T82 PolarHBondContact O-N 3.35Å; F79-T82 VanDerWaalsContact O-N 3.08Å; F79-T82 PolarHBondContact O-OG1 2.99Å; T82-E84 WeakPolarHBondContact CB-OE2 3.28Å; T82-E84 PolarHBondContact O-N 3.4Å; T82-M85 PolarHBondContact O-N 3.45Å; T82-M85 WeakPolarHBondContact OG1-CB 3.37Å; T82-M85 VanDerWaalsContact OG1-CG 3.24Å; T82-M85 WeakPolarHBondContact OG1-CG 3.49Å; T82-M85 PolarHBondContact OG1-N 3.26Å; T82-V86 WeakPolarHBondContact O-CG2 3.49Å; T82-V86 PolarHBondContact O-N 2.9Å; T82-G113 WeakPolarHBondContact CG2-O 3.13Å; T82-N116 HydrophobicContact CG2-CB 4.22Å; T82-A117 HydrophobicContact CG2-CB 4.22Å
83S98.1Very high95.8Very high62 Ų6252.5 Ų52.543%0.43430%0.295SS..Hα-helixtrans-57.7-35.7178.528.80000112.1T87S83-T87 WeakPolarHBondContact O-CB 3.25Å; S83-T87 PolarHBondContact O-N 3.4Å; S83-T87 PolarHBondContact O-OG1 2.91Å
84E98.3Very high94.6Very high32 Ų3253.1 Ų53.115%0.1531%0.307CS..Hα-helixtrans-67.5-43.9179.6-59.967.5-141.700110.8T82 T87 L88 L109 E112 N116T82-E84 WeakPolarHBondContact CB-OE2 3.28Å; T82-E84 PolarHBondContact O-N 3.4Å; E84-T87 WeakPolarHBondContact O-CB 3.08Å; E84-T87 PolarHBondContact O-N 3.47Å; E84-L88 WeakPolarHBondContact O-CB 3.48Å; E84-L88 PolarHBondContact O-N 2.87Å; E84-L109 HydrophobicContact CB-CB 4.34Å; E84-L109 HydrophobicContact CB-CD2 4.06Å; E84-L109 WeakPolarHBondContact CB-O 3.39Å; E84-L109 HydrophobicContact CG-CD2 4.42Å; E84-E112 HydrophobicContact CG-CB 3.94Å; E84-N116 PolarHBondContact OE1-ND2 3.23Å; E84-N116 PolarHBondContact OE2-ND2 3.03Å; E84-N116 VanDerWaalsContact OE2-ND2 3.15Å
85M97.5Very high93.4Very high1 Ų154.7 Ų54.71%0.00531%0.312CS..Hα-helixtrans-72.3-32.5178-67.4-53.3-66.300112.9W50 W53 F79 T82 L88 K89 V110W50-M85 HydrophobicContact CD2-CE 4.32Å; W50-M85 HydrophobicContact CE3-CE 4.21Å; W50-M85 HydrophobicContact CH2-CE 3.44Å; W50-M85 VanDerWaalsContact CH2-CE 3.44Å; W50-M85 HydrophobicContact CZ2-CE 3.54Å; W50-M85 HydrophobicContact CZ3-CE 3.78Å; W53-M85 HydrophobicContact CH2-CE 4.18Å; W53-M85 HydrophobicContact CZ3-CE 3.79Å; F79-M85 HydrophobicContact CD2-CG 4.04Å; F79-M85 HydrophobicContact CE1-CE 3.84Å; F79-M85 HydrophobicContact CE1-CG 4.3Å; F79-M85 HydrophobicContact CE1-SD 4.18Å; F79-M85 HydrophobicContact CE2-CE 4.39Å; F79-M85 HydrophobicContact CE2-CG 3.58Å; F79-M85 HydrophobicContact CE2-SD 3.64Å; F79-M85 HydrophobicContact CZ-CE 3.59Å; F79-M85 HydrophobicContact CZ-CG 3.74Å; F79-M85 HydrophobicContact CZ-SD 3.37Å; F79-M85 WeakPolarHBondContact CZ-SD 3.44Å; F79-M85 VanDerWaalsContact O-CG 3.26Å; F79-M85 WeakPolarHBondContact O-CG 2.94Å; T82-M85 PolarHBondContact O-N 3.45Å; T82-M85 WeakPolarHBondContact OG1-CB 3.37Å; T82-M85 VanDerWaalsContact OG1-CG 3.24Å; T82-M85 WeakPolarHBondContact OG1-CG 3.49Å; T82-M85 PolarHBondContact OG1-N 3.26Å; M85-L88 HydrophobicContact CE-CD2 3.97Å; M85-L88 PolarHBondContact O-N 3.2Å; M85-L88 HydrophobicContact SD-CD2 4Å; M85-K89 WeakPolarHBondContact O-CB 3.41Å; M85-K89 PolarHBondContact O-N 3.34Å; M85-V110 HydrophobicContact SD-CG2 4.23Å
86V96.5Very high91.7Very high68 Ų6858 Ų5841%0.41234%0.336SS..Hα-helixtrans-62.4-47.1169.2173.20000110.4T82 L88 K89 E90T82-V86 WeakPolarHBondContact O-CG2 3.49Å; T82-V86 PolarHBondContact O-N 2.9Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 2.97Å; V86-K89 WeakPolarHBondContact O-CB 3.18Å; V86-K89 PolarHBondContact O-N 3.46Å; V86-E90 WeakPolarHBondContact O-CG 3.47Å; V86-E90 PolarHBondContact O-N 3.04Å; V86-E90 VanDerWaalsContact O-N 3.08Å
87T96.5Very high89.9Confident54 Ų5465.8 Ų65.833%0.33137%0.371SS..Hα-helixtrans-61.4-42.5176.5-570000111.4S83 E84 E90 R91 L109S83-T87 WeakPolarHBondContact O-CB 3.25Å; S83-T87 PolarHBondContact O-N 3.4Å; S83-T87 PolarHBondContact O-OG1 2.91Å; E84-T87 WeakPolarHBondContact O-CB 3.08Å; E84-T87 PolarHBondContact O-N 3.47Å; T87-E90 PolarHBondContact O-N 2.93Å; T87-R91 WeakPolarHBondContact O-CG 3.3Å; T87-R91 PolarHBondContact O-N 3.49Å; T87-L109 HydrophobicContact CG2-CD1 4.12Å; T87-L109 HydrophobicContact CG2-CD2 4.3Å
88L95.6Very high87.5Confident0 Ų069.9 Ų69.90%039%0.387CS..Hα-helixtrans-64.2-42.8177.2-178.261.7000111.4W50 W53 E84 M85 V86 E90 R91 L92 L102 E106 L109 V110W50-L88 HydrophobicContact CH2-CB 4.03Å; W50-L88 HydrophobicContact CH2-CD2 3.76Å; W50-L88 HydrophobicContact CH2-CG 3.74Å; W50-L88 HydrophobicContact CZ3-CD2 3.72Å; W50-L88 HydrophobicContact CZ3-CG 3.95Å; W53-L88 HydrophobicContact CH2-CD2 3.77Å; W53-L88 HydrophobicContact CZ2-CD2 4.43Å; E84-L88 WeakPolarHBondContact O-CB 3.48Å; E84-L88 PolarHBondContact O-N 2.87Å; M85-L88 HydrophobicContact CE-CD2 3.97Å; M85-L88 PolarHBondContact O-N 3.2Å; M85-L88 HydrophobicContact SD-CD2 4Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-L88 PolarHBondContact O-N 2.97Å; L88-E90 VanDerWaalsContact C-N 3.3Å; L88-E90 PolarHBondContact O-N 3.44Å; L88-R91 PolarHBondContact O-N 2.93Å; L88-R91 VanDerWaalsContact O-N 3.15Å; L88-L92 HydrophobicContact CD1-CD1 4.11Å; L88-L92 HydrophobicContact CD1-CD2 4.43Å; L88-L92 HydrophobicContact CD1-CG 4.01Å; L88-L92 HydrophobicContact CG-CD1 3.95Å; L88-L92 HydrophobicContact CG-CG 4.24Å; L88-L92 WeakPolarHBondContact O-CG 3.46Å; L88-L92 PolarHBondContact O-N 3.38Å; L88-L102 HydrophobicContact CD1-CD2 4.49Å; L88-E106 HydrophobicContact CD1-CB 3.64Å; L88-E106 HydrophobicContact CD1-CG 3.6Å; L88-L109 HydrophobicContact CB-CB 4.34Å; L88-L109 HydrophobicContact CB-CD1 4.09Å; L88-L109 HydrophobicContact CD1-CD1 4.29Å; L88-V110 HydrophobicContact CD2-CG2 3.46Å; L88-V110 VanDerWaalsContact CD2-CG2 3.46Å
89K94Very high85.7Confident99 Ų9971 Ų7143%0.4340%0.397SS..Hα-helixtrans-56.5-44.4175.1171.3163.5-177.6173.40111.5P49 W50 M85 V86 L92 T93P49-K89 HydrophobicContact CG-CB 4.32Å; P49-K89 HydrophobicContact CG-CD 4.15Å; P49-K89 HydrophobicContact CG-CG 3.92Å; W50-K89 HydrophobicContact CH2-CB 4.18Å; W50-K89 HydrophobicContact CZ2-CB 3.87Å; M85-K89 WeakPolarHBondContact O-CB 3.41Å; M85-K89 PolarHBondContact O-N 3.34Å; V86-K89 WeakPolarHBondContact O-CB 3.18Å; V86-K89 PolarHBondContact O-N 3.46Å; K89-L92 PolarHBondContact O-N 3.27Å; K89-T93 WeakPolarHBondContact O-CB 3.22Å; K89-T93 PolarHBondContact O-N 3.24Å; K89-T93 PolarHBondContact O-OG1 3.36Å
90E92.8Very high84.4Confident136 Ų13673.9 Ų73.964%0.63642%0.417SS*.Hα-helixtrans-62.7-42.1176.1-69.1175.2174.800112.3V86 T87 L88 T93V86-E90 WeakPolarHBondContact O-CG 3.47Å; V86-E90 PolarHBondContact O-N 3.04Å; V86-E90 VanDerWaalsContact O-N 3.08Å; T87-E90 PolarHBondContact O-N 2.93Å; L88-E90 VanDerWaalsContact C-N 3.3Å; L88-E90 PolarHBondContact O-N 3.44Å; E90-T93 PolarHBondContact O-N 3.34Å
91R91.1Very high83.8Confident103 Ų10375.4 Ų75.439%0.38943%0.427SS..Hα-helixtrans-65.9-37.9177.8-71.9-180178.1-142.30.6113.4T87 L88 E105T87-R91 WeakPolarHBondContact O-CG 3.3Å; T87-R91 PolarHBondContact O-N 3.49Å; L88-R91 PolarHBondContact O-N 2.93Å; L88-R91 VanDerWaalsContact O-N 3.15Å; R91-E105 IonicContact CZ-OE2 3.75Å; R91-E105 IonicContact NH1-OE2 3.34Å; R91-E105 PolarHBondContact NH1-OE2 3.21Å; R91-E105 IonicContact NH2-OE2 2.95Å; R91-E105 PolarHBondContact NH2-OE2 3.45Å
92L87.9Confident83.6Confident35 Ų3572 Ų7218%0.18340%0.401CS..Hα-helixtrans-77.9-24.5178.5-64.5-178.8000112.1W50 L88 K89 G94 K95 L102 E106W50-L92 HydrophobicContact CE3-CD1 4.37Å; W50-L92 HydrophobicContact CH2-CD1 4.25Å; W50-L92 HydrophobicContact CZ3-CD1 3.57Å; L88-L92 HydrophobicContact CD1-CD1 4.11Å; L88-L92 HydrophobicContact CD1-CD2 4.43Å; L88-L92 HydrophobicContact CD1-CG 4.01Å; L88-L92 HydrophobicContact CG-CD1 3.95Å; L88-L92 HydrophobicContact CG-CG 4.24Å; L88-L92 WeakPolarHBondContact O-CG 3.46Å; L88-L92 PolarHBondContact O-N 3.38Å; K89-L92 PolarHBondContact O-N 3.27Å; L92-G94 PolarHBondContact O-N 3.09Å; L92-K95 HydrophobicContact CD2-CD 4.13Å; L92-K95 PolarHBondContact O-N 3.32Å; L92-K95 VanDerWaalsContact O-N 3.09Å; L92-L102 HydrophobicContact CD1-CD2 4.43Å; L92-L102 HydrophobicContact CD2-CD2 4.22Å; L92-E106 WeakPolarHBondContact CD2-OE1 3.19Å
93T82.8Confident83.3Confident101 Ų10175.2 Ų75.262%0.6242%0.419SS*.THydrogen-bonded Turntrans-66.893.4176.3-58.20000109.9K89 E90K89-T93 WeakPolarHBondContact O-CB 3.22Å; K89-T93 PolarHBondContact O-N 3.24Å; K89-T93 PolarHBondContact O-OG1 3.36Å; E90-T93 PolarHBondContact O-N 3.34Å
94G72.9Confident83.2Confident82 Ų8281.4 Ų81.485%0.84544%0.438SS*.THydrogen-bonded Turntrans122-11.1-179.300000114.6L92L92-G94 PolarHBondContact O-N 3.09Å
95K74.3Confident83.1Confident80 Ų8085.8 Ų85.835%0.34846%0.458SS..  trans-71.5129.8166.2-75.9-170.7176.9-178.80108.5L92 D103 E106L92-K95 HydrophobicContact CD2-CD 4.13Å; L92-K95 PolarHBondContact O-N 3.32Å; L92-K95 VanDerWaalsContact O-N 3.09Å; K95-D103 IonicContact NZ-OD2 2.94Å; K95-D103 PolarHBondContact NZ-OD2 3.12Å; K95-E106 WeakPolarHBondContact CE-OE1 3.43Å; K95-E106 IonicContact NZ-OE1 2.78Å; K95-E106 PolarHBondContact NZ-OE1 3.42Å; K95-E106 IonicContact NZ-OE2 2.6Å; K95-E106 PolarHBondContact NZ-OE2 2.87Å
96S63Low83Confident73 Ų7385.9 Ų85.951%0.5146%0.459SS..  trans-60.2144.3170.8570000109.8Q98 S99S96-Q98 PolarHBondContact O-N 2.97Å; S96-S99 PolarHBondContact O-N 2.96Å
97E58.3Low83Confident192 Ų19283.7 Ų83.790%0.89745%0.446SS*.THydrogen-bonded Turntrans-48.7-21.6177.1-68.6179.8160.500114.1S99E97-S99 PolarHBondContact O-N 3.14Å
98Q48.6Very low83.1Confident182 Ų18285 Ų8585%0.8545%0.448SS*.THydrogen-bonded Turntrans-67.2-10.8176.2-81140.32.800115.8S96S96-Q98 PolarHBondContact O-N 2.97Å
99S60.7Low83.2Confident59 Ų5986.4 Ų86.441%0.41346%0.455SS..  trans-103.658.3170.6-172.10000110.7S96 E97 T101S96-S99 PolarHBondContact O-N 2.96Å; E97-S99 PolarHBondContact O-N 3.14Å; S99-T101 PolarHBondContact O-N 3.36Å
100S70.9Confident83.4Confident62 Ų6281.7 Ų81.743%0.43444%0.435SS..  trans-67.1-15.6-17661.90000114.2
101T84.6Confident83.7Confident77 Ų7778.7 Ų78.747%0.47242%0.418SS..SBendtrans-94.7130.7179.6-52.90000110.4S99S99-T101 PolarHBondContact O-N 3.36Å
102L92.4Very high84Confident13 Ų1376 Ų767%0.06841%0.41CS..  trans-70.2138.1176.2-59.2-179.9000110.9W53 L88 L92 E106 V107 V110 H151 F153W53-L102 HydrophobicContact CH2-CD1 3.99Å; W53-L102 HydrophobicContact CZ2-CD1 3.86Å; W53-L102 HydrophobicContact CZ2-CD2 4.15Å; W53-L102 HydrophobicContact CZ2-CG 4.43Å; L88-L102 HydrophobicContact CD1-CD2 4.49Å; L92-L102 HydrophobicContact CD1-CD2 4.43Å; L92-L102 HydrophobicContact CD2-CD2 4.22Å; L102-E106 WeakPolarHBondContact CA-OE2 3.28Å; L102-E106 HydrophobicContact CB-CB 3.85Å; L102-E106 HydrophobicContact CD2-CB 4.07Å; L102-E106 HydrophobicContact CG-CB 4.41Å; L102-V107 HydrophobicContact CB-CG2 3.83Å; L102-V110 HydrophobicContact CD1-CG2 3.85Å; L102-H151 PolarHBondContact O-CE1 3.16Å; L102-F153 HydrophobicContact CD1-CE2 4.12Å; L102-F153 HydrophobicContact CD1-CZ 3.96Å
103D93.1Very high84.5Confident69 Ų6974.4 Ų74.437%0.36940%0.401SS..  trans-75.7175.2168.967.650.2000111.9K95 E105 E106 V107K95-D103 IonicContact NZ-OD2 2.94Å; K95-D103 PolarHBondContact NZ-OD2 3.12Å; D103-E105 VanDerWaalsContact C-N 3.29Å; D103-E105 PolarHBondContact O-N 3.42Å; D103-E105 PolarHBondContact OD1-N 2.94Å; D103-E106 PolarHBondContact N-OE2 2.78Å; D103-E106 PolarHBondContact O-N 3.12Å; D103-E106 WeakPolarHBondContact OD1-CG 3.24Å; D103-E106 PolarHBondContact OD1-N 3.02Å; D103-V107 VanDerWaalsContact O-CG2 3.31Å; D103-V107 WeakPolarHBondContact O-CG2 3.25Å; D103-V107 PolarHBondContact O-N 3.37Å
104K95Very high85.3Confident192 Ų19269.8 Ų69.884%0.83537%0.372SS*.Hα-helixtrans-60.7-35.6-176-70.2-174.1177.4-176.40113.6E108K104-E108 WeakPolarHBondContact O-CB 3.38Å; K104-E108 PolarHBondContact O-N 2.87Å
105E95.9Very high86.5Confident124 Ų12469 Ų6958%0.57934%0.344SS*.Hα-helixtrans-73.5-37.9178.8-63.8-177-170.900110.5R91 D103 E108 L109R91-E105 IonicContact CZ-OE2 3.75Å; R91-E105 IonicContact NH1-OE2 3.34Å; R91-E105 PolarHBondContact NH1-OE2 3.21Å; R91-E105 IonicContact NH2-OE2 2.95Å; R91-E105 PolarHBondContact NH2-OE2 3.45Å; D103-E105 VanDerWaalsContact C-N 3.29Å; D103-E105 PolarHBondContact O-N 3.42Å; D103-E105 PolarHBondContact OD1-N 2.94Å; E105-E108 PolarHBondContact O-N 2.98Å; E105-L109 WeakPolarHBondContact O-CG 3.44Å; E105-L109 PolarHBondContact O-N 3.41Å
106E95.7Very high87.7Confident2 Ų266.7 Ų66.71%0.00934%0.336CS..Hα-helixtrans-67.4-40.5176.5-67.8175.914800112.6L88 L92 K95 L102 D103 E108 L109 V110L88-E106 HydrophobicContact CD1-CB 3.64Å; L88-E106 HydrophobicContact CD1-CG 3.6Å; L92-E106 WeakPolarHBondContact CD2-OE1 3.19Å; K95-E106 WeakPolarHBondContact CE-OE1 3.43Å; K95-E106 IonicContact NZ-OE1 2.78Å; K95-E106 PolarHBondContact NZ-OE1 3.42Å; K95-E106 IonicContact NZ-OE2 2.6Å; K95-E106 PolarHBondContact NZ-OE2 2.87Å; L102-E106 WeakPolarHBondContact CA-OE2 3.28Å; L102-E106 HydrophobicContact CB-CB 3.85Å; L102-E106 HydrophobicContact CD2-CB 4.07Å; L102-E106 HydrophobicContact CG-CB 4.41Å; D103-E106 PolarHBondContact N-OE2 2.78Å; D103-E106 PolarHBondContact O-N 3.12Å; D103-E106 WeakPolarHBondContact OD1-CG 3.24Å; D103-E106 PolarHBondContact OD1-N 3.02Å; E106-E108 VanDerWaalsContact C-N 3.27Å; E106-E108 PolarHBondContact O-N 3Å; E106-L109 PolarHBondContact O-N 2.8Å; E106-V110 WeakPolarHBondContact O-CG2 3.37Å; E106-V110 PolarHBondContact O-N 3.35Å; E106-V110 VanDerWaalsContact O-N 3.14Å
107V97.4Very high89.4Confident23 Ų2363.2 Ų63.214%0.13931%0.311CS..Hα-helixtrans-58.1-42.5172.1167.20000110.8L102 D103 V110 R111 F153 V236L102-V107 HydrophobicContact CB-CG2 3.83Å; D103-V107 VanDerWaalsContact O-CG2 3.31Å; D103-V107 WeakPolarHBondContact O-CG2 3.25Å; D103-V107 PolarHBondContact O-N 3.37Å; V107-V110 PolarHBondContact O-N 3.12Å; V107-R111 PolarHBondContact O-N 3.29Å; V107-F153 HydrophobicContact CB-CE1 4.5Å; V107-F153 HydrophobicContact CB-CZ 4.45Å; V107-F153 HydrophobicContact CG1-CE1 3.92Å; V107-F153 HydrophobicContact CG1-CZ 4.25Å; V107-F153 HydrophobicContact CG2-CZ 4.28Å; V107-V236 HydrophobicContact CG1-CB 4.43Å; V107-V236 HydrophobicContact CG1-CG1 3.86Å; V107-V236 HydrophobicContact CG1-CG2 4.03Å
108E98Very high91.3Very high80 Ų8054.1 Ų54.137%0.37427%0.269SS..Hα-helixtrans-67.4-37.5179.1-176.162.2-17300112.5K104 E105 E106 V110 R111 E112K104-E108 WeakPolarHBondContact O-CB 3.38Å; K104-E108 PolarHBondContact O-N 2.87Å; E105-E108 PolarHBondContact O-N 2.98Å; E106-E108 VanDerWaalsContact C-N 3.27Å; E106-E108 PolarHBondContact O-N 3Å; E108-V110 VanDerWaalsContact C-N 3.34Å; E108-V110 PolarHBondContact O-N 3.5Å; E108-R111 PolarHBondContact O-N 2.91Å; E108-R111 IonicContact OE1-CZ 3.96Å; E108-R111 IonicContact OE1-NE 3.38Å; E108-R111 IonicContact OE1-NH2 3.03Å; E108-R111 PolarHBondContact OE1-NH2 3.4Å; E108-R111 IonicContact OE2-CZ 2.81Å; E108-R111 IonicContact OE2-NE 2.64Å; E108-R111 PolarHBondContact OE2-NE 3.4Å; E108-R111 IonicContact OE2-NH2 3.98Å; E108-R111 PolarHBondContact OE2-NH2 3.36Å; E108-E112 PolarHBondContact O-N 3.22Å
109L98.2Very high93.7Very high30 Ų3047.2 Ų47.216%0.15724%0.237CC..Hα-helixtrans-60-43.4172.3-71.2170.7000111.6E84 T87 L88 E105 E106 G113E84-L109 HydrophobicContact CB-CB 4.34Å; E84-L109 HydrophobicContact CB-CD2 4.06Å; E84-L109 WeakPolarHBondContact CB-O 3.39Å; E84-L109 HydrophobicContact CG-CD2 4.42Å; T87-L109 HydrophobicContact CG2-CD1 4.12Å; T87-L109 HydrophobicContact CG2-CD2 4.3Å; L88-L109 HydrophobicContact CB-CB 4.34Å; L88-L109 HydrophobicContact CB-CD1 4.09Å; L88-L109 HydrophobicContact CD1-CD1 4.29Å; E105-L109 WeakPolarHBondContact O-CG 3.44Å; E105-L109 PolarHBondContact O-N 3.41Å; E106-L109 PolarHBondContact O-N 2.8Å; L109-G113 WeakPolarHBondContact O-CA 3.21Å; L109-G113 PolarHBondContact O-N 2.87Å
110V98.2Very high95.5Very high0 Ų048.5 Ų48.50%024%0.236CC..Hα-helixtrans-63.5-44.3176178.40000110.9W53 F79 M85 L88 L102 E106 V107 E108 G113 L114 L146 F153W53-V110 HydrophobicContact CH2-CG2 3.58Å; W53-V110 HydrophobicContact CZ3-CG2 4.08Å; F79-V110 HydrophobicContact CZ-CG1 4.14Å; M85-V110 HydrophobicContact SD-CG2 4.23Å; L88-V110 HydrophobicContact CD2-CG2 3.46Å; L88-V110 VanDerWaalsContact CD2-CG2 3.46Å; L102-V110 HydrophobicContact CD1-CG2 3.85Å; E106-V110 WeakPolarHBondContact O-CG2 3.37Å; E106-V110 PolarHBondContact O-N 3.35Å; E106-V110 VanDerWaalsContact O-N 3.14Å; V107-V110 PolarHBondContact O-N 3.12Å; E108-V110 VanDerWaalsContact C-N 3.34Å; E108-V110 PolarHBondContact O-N 3.5Å; V110-G113 PolarHBondContact O-N 3.25Å; V110-L114 HydrophobicContact CG1-CD1 4.34Å; V110-L114 PolarHBondContact O-N 2.92Å; V110-L146 HydrophobicContact CG1-CD2 3.82Å; V110-F153 HydrophobicContact CB-CD1 4.07Å; V110-F153 HydrophobicContact CB-CE1 3.58Å; V110-F153 HydrophobicContact CB-CE2 4.3Å; V110-F153 HydrophobicContact CB-CZ 3.72Å; V110-F153 HydrophobicContact CG1-CB 4.49Å; V110-F153 HydrophobicContact CG1-CD1 3.51Å; V110-F153 HydrophobicContact CG1-CD2 3.84Å; V110-F153 HydrophobicContact CG1-CE1 3.53Å; V110-F153 HydrophobicContact CG1-CE2 3.85Å; V110-F153 HydrophobicContact CG1-CG 3.68Å; V110-F153 HydrophobicContact CG1-CZ 3.71Å; V110-F153 HydrophobicContact CG2-CE1 4.4Å; V110-F153 HydrophobicContact CG2-CE2 4.44Å; V110-F153 HydrophobicContact CG2-CZ 4.05Å
111R98.2Very high96.8Very high74 Ų7445.6 Ų45.628%0.27922%0.215SC..Hα-helixtrans-59.7-52.7179.9-166.9-175.871.269.4-2111.4V107 E108 L114 R115 L234V107-R111 PolarHBondContact O-N 3.29Å; E108-R111 PolarHBondContact O-N 2.91Å; E108-R111 IonicContact OE1-CZ 3.96Å; E108-R111 IonicContact OE1-NE 3.38Å; E108-R111 IonicContact OE1-NH2 3.03Å; E108-R111 PolarHBondContact OE1-NH2 3.4Å; E108-R111 IonicContact OE2-CZ 2.81Å; E108-R111 IonicContact OE2-NE 2.64Å; E108-R111 PolarHBondContact OE2-NE 3.4Å; E108-R111 IonicContact OE2-NH2 3.98Å; E108-R111 PolarHBondContact OE2-NH2 3.36Å; R111-L114 PolarHBondContact O-N 2.89Å; R111-R115 PolarHBondContact O-N 2.94Å; R111-R115 VanDerWaalsContact O-N 3.09Å; R111-L234 HydrophobicContact CG-CB 4.05Å; R111-L234 HydrophobicContact CG-CD1 3.98Å; R111-L234 VanDerWaalsContact O-CD1 3.32Å; R111-L234 WeakPolarHBondContact O-CD1 3.36Å
112E98.4Very high97.4Very high47 Ų4742.3 Ų42.322%0.2220%0.195CC..Hα-helixtrans-69.9-33.4179-72.2-59.4127.900112.4E84 E108 L114 R115 N116E84-E112 HydrophobicContact CG-CB 3.94Å; E108-E112 PolarHBondContact O-N 3.22Å; E112-L114 PolarHBondContact O-N 2.66Å; E112-R115 WeakPolarHBondContact O-CB 3.49Å; E112-R115 PolarHBondContact O-N 2.94Å; E112-N116 WeakPolarHBondContact O-CB 3.35Å; E112-N116 PolarHBondContact O-N 2.66Å
113G98.6Very high97.7Very high0 Ų047.6 Ų47.60%022%0.219CC..Hα-helixtrans-59.1-45.3171.900000112T82 L109 V110 N116 A117T82-G113 WeakPolarHBondContact CG2-O 3.13Å; L109-G113 WeakPolarHBondContact O-CA 3.21Å; L109-G113 PolarHBondContact O-N 2.87Å; V110-G113 PolarHBondContact O-N 3.25Å; G113-N116 PolarHBondContact O-N 3.18Å; G113-A117 WeakPolarHBondContact O-CB 3.24Å; G113-A117 PolarHBondContact O-N 2.85Å
114L98.4Very high97.9Very high4 Ų446.3 Ų46.32%0.02122%0.218CC..Hα-helixtrans-62.9-46.1175.1-79.2171.6000111.3F79 V110 R111 E112 N116 A117 F118 F153 L234F79-L114 HydrophobicContact CD1-CD2 4.44Å; F79-L114 HydrophobicContact CD2-CB 4.4Å; F79-L114 HydrophobicContact CD2-CD2 3.64Å; F79-L114 HydrophobicContact CD2-CG 3.88Å; F79-L114 HydrophobicContact CE1-CD2 4.49Å; F79-L114 HydrophobicContact CE2-CB 4.25Å; F79-L114 HydrophobicContact CE2-CD2 3.71Å; F79-L114 HydrophobicContact CE2-CG 3.52Å; F79-L114 HydrophobicContact CG-CD2 4.03Å; F79-L114 HydrophobicContact CZ-CD2 4.13Å; F79-L114 HydrophobicContact CZ-CG 4.08Å; V110-L114 HydrophobicContact CG1-CD1 4.34Å; V110-L114 PolarHBondContact O-N 2.92Å; R111-L114 PolarHBondContact O-N 2.89Å; E112-L114 PolarHBondContact O-N 2.66Å; L114-N116 PolarHBondContact O-N 3.02Å; L114-A117 WeakPolarHBondContact O-CB 3.44Å; L114-A117 PolarHBondContact O-N 3.3Å; L114-F118 VanDerWaalsContact O-CD2 3.28Å; L114-F118 WeakPolarHBondContact O-CD2 3.49Å; L114-F118 PolarHBondContact O-N 3.49Å; L114-F153 HydrophobicContact CD1-CB 3.91Å; L114-L234 HydrophobicContact CB-CD2 3.87Å; L114-L234 HydrophobicContact CD1-CD2 4.37Å
115R98.6Very high98Very high66 Ų6637.1 Ų37.125%0.24918%0.178CC..Hα-helixtrans-54.6-52.3175.7-170.8174.1168.7-89.1-5.5111.4R111 E112 A117 F118 L119 E231 L234R111-R115 PolarHBondContact O-N 2.94Å; R111-R115 VanDerWaalsContact O-N 3.09Å; E112-R115 WeakPolarHBondContact O-CB 3.49Å; E112-R115 PolarHBondContact O-N 2.94Å; R115-A117 VanDerWaalsContact C-N 3.27Å; R115-A117 PolarHBondContact O-N 3.47Å; R115-F118 PolarHBondContact O-N 2.89Å; R115-L119 PolarHBondContact O-N 3.12Å; R115-E231 IonicContact CZ-OE1 2.75Å; R115-E231 VanDerWaalsContact CZ-OE1 3.23Å; R115-E231 IonicContact NE-OE1 3.41Å; R115-E231 PolarHBondContact NE-OE1 3.49Å; R115-E231 IonicContact NH2-OE1 2.96Å; R115-E231 PolarHBondContact NH2-OE1 2.75Å; R115-L234 HydrophobicContact CB-CD1 3.69Å; R115-L234 HydrophobicContact CG-CD1 4.38Å
116N98.6Very high98Very high32 Ų3235.9 Ų35.917%0.17117%0.168CC..Hα-helixtrans-66.4-30.5-178-74.4-20.7000112.2T82 E84 E112 G113 L114 L119 K120T82-N116 HydrophobicContact CG2-CB 4.22Å; E84-N116 PolarHBondContact OE1-ND2 3.23Å; E84-N116 PolarHBondContact OE2-ND2 3.03Å; E84-N116 VanDerWaalsContact OE2-ND2 3.15Å; E112-N116 WeakPolarHBondContact O-CB 3.35Å; E112-N116 PolarHBondContact O-N 2.66Å; G113-N116 PolarHBondContact O-N 3.18Å; L114-N116 PolarHBondContact O-N 3.02Å; N116-L119 PolarHBondContact O-N 2.91Å; N116-K120 VanDerWaalsContact O-CB 3.26Å; N116-K120 WeakPolarHBondContact O-CB 3.41Å; N116-K120 VanDerWaalsContact O-CG 3.25Å; N116-K120 WeakPolarHBondContact O-CG 3.22Å; N116-K120 PolarHBondContact O-N 3.43Å
117A98.7Very high98Very high0 Ų041.4 Ų41.40%020%0.197CC..Hα-helixtrans-61.2-45.1175.800000111.8L75 V78 F79 T82 G113 L114 R115 L121L75-A117 HydrophobicContact CD1-CB 4.27Å; V78-A117 HydrophobicContact CG1-CB 4.31Å; F79-A117 HydrophobicContact CB-CB 3.69Å; F79-A117 HydrophobicContact CD2-CB 4.25Å; F79-A117 HydrophobicContact CG-CB 4.48Å; T82-A117 HydrophobicContact CG2-CB 4.22Å; G113-A117 WeakPolarHBondContact O-CB 3.24Å; G113-A117 PolarHBondContact O-N 2.85Å; L114-A117 WeakPolarHBondContact O-CB 3.44Å; L114-A117 PolarHBondContact O-N 3.3Å; R115-A117 VanDerWaalsContact C-N 3.27Å; R115-A117 PolarHBondContact O-N 3.47Å; A117-L121 WeakPolarHBondContact O-CB 3.29Å; A117-L121 PolarHBondContact O-N 3.06Å
118F98.8Very high97.9Very high0 Ų043.3 Ų43.30%021%0.207CC..Hα-helixtrans-62.4-48.3177.6-84.6-115.3000111.8L75 L114 R115 L121 D122 V142 A155 L157 L210 P232L75-F118 HydrophobicContact CD1-CD2 3.96Å; L75-F118 HydrophobicContact CD1-CE2 4.01Å; L75-F118 HydrophobicContact CD2-CE2 4.16Å; L75-F118 HydrophobicContact CD2-CZ 4.26Å; L114-F118 VanDerWaalsContact O-CD2 3.28Å; L114-F118 WeakPolarHBondContact O-CD2 3.49Å; L114-F118 PolarHBondContact O-N 3.49Å; R115-F118 PolarHBondContact O-N 2.89Å; F118-L121 PolarHBondContact O-N 3.39Å; F118-D122 WeakPolarHBondContact O-CB 3.38Å; F118-D122 PolarHBondContact O-N 2.99Å; F118-V142 HydrophobicContact CE1-CB 3.81Å; F118-V142 HydrophobicContact CE1-CG1 4.06Å; F118-V142 HydrophobicContact CE1-CG2 4.25Å; F118-V142 HydrophobicContact CZ-CB 4.08Å; F118-V142 HydrophobicContact CZ-CG1 3.81Å; F118-A155 HydrophobicContact CE2-CB 3.98Å; F118-A155 HydrophobicContact CZ-CB 3.98Å; F118-L157 HydrophobicContact CD1-CB 4.18Å; F118-L157 HydrophobicContact CD1-CD2 3.91Å; F118-L157 HydrophobicContact CD1-CG 4.42Å; F118-L157 HydrophobicContact CE1-CB 3.67Å; F118-L157 HydrophobicContact CE1-CD2 4.02Å; F118-L157 HydrophobicContact CE1-CG 4.36Å; F118-L210 HydrophobicContact CD1-CD2 4.44Å; F118-P232 HydrophobicContact CB-CG 4.04Å; F118-P232 HydrophobicContact CD1-CB 3.93Å; F118-P232 HydrophobicContact CD1-CG 3.85Å; F118-P232 HydrophobicContact CD2-CG 3.95Å; F118-P232 HydrophobicContact CE1-CB 3.91Å; F118-P232 HydrophobicContact CE1-CG 4.26Å; F118-P232 HydrophobicContact CE2-CG 4.34Å; F118-P232 HydrophobicContact CG-CB 4.25Å; F118-P232 HydrophobicContact CG-CG 3.68Å; F118-P232 HydrophobicContact CZ-CB 4.21Å; F118-P232 HydrophobicContact CZ-CG 4.48Å
119L98.6Very high97.6Very high37 Ų3744.4 Ų44.419%0.19422%0.221CC..Hα-helixtrans-64.5-45.2-179.4-59.6-178.4000112R115 N116 D122 E123 P230R115-L119 PolarHBondContact O-N 3.12Å; N116-L119 PolarHBondContact O-N 2.91Å; L119-D122 PolarHBondContact O-N 3.04Å; L119-E123 WeakPolarHBondContact O-CB 3.43Å; L119-E123 PolarHBondContact O-N 2.91Å; L119-P230 HydrophobicContact CD2-CB 4.44Å; L119-P230 HydrophobicContact CD2-CG 3.9Å
120K98.5Very high97.3Very high87 Ų8750.1 Ų50.138%0.37825%0.246SC..Hα-helixtrans-65.4-39.1177.3-73.5175.6179.3174.60112.1V78 N116 A124V78-K120 HydrophobicContact CG1-CB 3.97Å; N116-K120 VanDerWaalsContact O-CB 3.26Å; N116-K120 WeakPolarHBondContact O-CB 3.41Å; N116-K120 VanDerWaalsContact O-CG 3.25Å; N116-K120 WeakPolarHBondContact O-CG 3.22Å; N116-K120 PolarHBondContact O-N 3.43Å; K120-A124 VanDerWaalsContact O-CB 3.24Å; K120-A124 WeakPolarHBondContact O-CB 3.41Å; K120-A124 PolarHBondContact O-N 3.04Å
121L98.5Very high97Very high0 Ų050.6 Ų50.60%025%0.249CC..Hα-helixtrans-65.6-45177.1-179.566.2000110.9Y70 A71 N74 L75 V78 A117 F118 E123 A124 M125 L210Y70-L121 HydrophobicContact CD1-CD1 4.11Å; Y70-L121 HydrophobicContact CE1-CD1 3.83Å; A71-L121 HydrophobicContact CB-CD2 4.01Å; N74-L121 HydrophobicContact CB-CD1 3.89Å; L75-L121 HydrophobicContact CB-CD2 3.88Å; L75-L121 HydrophobicContact CD1-CD2 3.78Å; L75-L121 HydrophobicContact CG-CD2 4.39Å; V78-L121 HydrophobicContact CG1-CB 4.45Å; V78-L121 HydrophobicContact CG2-CD1 4.16Å; A117-L121 WeakPolarHBondContact O-CB 3.29Å; A117-L121 PolarHBondContact O-N 3.06Å; F118-L121 PolarHBondContact O-N 3.39Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-E123 PolarHBondContact O-N 3.2Å; L121-A124 PolarHBondContact O-N 3.31Å; L121-M125 HydrophobicContact CG-CE 4.03Å; L121-M125 WeakPolarHBondContact O-CB 3.45Å; L121-M125 WeakPolarHBondContact O-CG 3.33Å; L121-M125 PolarHBondContact O-N 3.21Å; L121-L210 HydrophobicContact CD2-CD1 3.82Å
122D98.5Very high96.5Very high8 Ų848.9 Ų48.94%0.04325%0.248CC..Hα-helixtrans-62.5-41.4177.2-161.657.8000111.8F118 L119 R126 L210 G211 Y213 K216 P230F118-D122 WeakPolarHBondContact O-CB 3.38Å; F118-D122 PolarHBondContact O-N 2.99Å; L119-D122 PolarHBondContact O-N 3.04Å; D122-R126 WeakPolarHBondContact O-CB 3.26Å; D122-R126 PolarHBondContact O-N 3.14Å; D122-L210 HydrophobicContact CB-CD2 3.83Å; D122-L210 WeakPolarHBondContact OD1-CA 3.27Å; D122-G211 PolarHBondContact OD1-N 2.91Å; D122-Y213 PolarHBondContact O-OH 3.02Å; D122-K216 IonicContact OD1-NZ 2.88Å; D122-K216 PolarHBondContact OD1-NZ 3.28Å; D122-K216 IonicContact OD2-NZ 2.79Å; D122-K216 PolarHBondContact OD2-NZ 3.34Å; D122-P230 HydrophobicContact CB-CB 3.79Å; D122-P230 HydrophobicContact CB-CG 4.4Å; D122-P230 WeakPolarHBondContact OD2-CB 3.42Å
123E97.5Very high95.9Very high125 Ų12547.9 Ų47.958%0.58425%0.251SS*.Hα-helixtrans-66.5-43.3174.9-176.4176.6-151.300112.2L119 L121 M125 R126 N127L119-E123 WeakPolarHBondContact O-CB 3.43Å; L119-E123 PolarHBondContact O-N 2.91Å; L121-E123 VanDerWaalsContact C-N 3.35Å; L121-E123 PolarHBondContact O-N 3.2Å; E123-M125 PolarHBondContact O-N 3Å; E123-R126 WeakPolarHBondContact O-CB 3.28Å; E123-R126 PolarHBondContact O-N 3.34Å; E123-N127 PolarHBondContact O-N 2.95Å; E123-N127 PolarHBondContact O-ND2 2.85Å
124A97Very high95.1Very high41 Ų4155.7 Ų55.734%0.33929%0.293SS..Hα-helixtrans-60.2-46.5176.900000111.2K120 L121 R126 N127 L128K120-A124 VanDerWaalsContact O-CB 3.24Å; K120-A124 WeakPolarHBondContact O-CB 3.41Å; K120-A124 PolarHBondContact O-N 3.04Å; L121-A124 PolarHBondContact O-N 3.31Å; A124-R126 VanDerWaalsContact C-N 3.31Å; A124-R126 PolarHBondContact O-N 2.68Å; A124-N127 PolarHBondContact O-N 2.84Å; A124-L128 PolarHBondContact O-N 3.12Å
125M97.6Very high94.5Very high0 Ų063.5 Ų63.50%034%0.335CS..Hα-helixtrans-63.2-35.9175.7-72.9-171.2-6000112.3V67 Y70 L121 E123 N127 L128 L131 L210 Y213V67-M125 HydrophobicContact CG1-CE 4.09Å; V67-M125 HydrophobicContact CG1-SD 4.12Å; Y70-M125 HydrophobicContact CD1-CG 3.29Å; Y70-M125 HydrophobicContact CD1-SD 3.44Å; Y70-M125 WeakPolarHBondContact CD1-SD 3.38Å; Y70-M125 HydrophobicContact CE1-CG 3.44Å; Y70-M125 VanDerWaalsContact CE1-CG 3.44Å; Y70-M125 HydrophobicContact CE1-SD 4.18Å; Y70-M125 HydrophobicContact CG-CG 4.12Å; Y70-M125 HydrophobicContact CG-SD 4.11Å; L121-M125 HydrophobicContact CG-CE 4.03Å; L121-M125 WeakPolarHBondContact O-CB 3.45Å; L121-M125 WeakPolarHBondContact O-CG 3.33Å; L121-M125 PolarHBondContact O-N 3.21Å; E123-M125 PolarHBondContact O-N 3Å; M125-N127 PolarHBondContact O-N 3.44Å; M125-L128 PolarHBondContact O-N 3.08Å; M125-L131 HydrophobicContact CB-CB 4.49Å; M125-L131 HydrophobicContact CB-CD1 3.9Å; M125-L131 HydrophobicContact CG-CD1 3.61Å; M125-L131 HydrophobicContact SD-CD1 4.11Å; M125-L210 HydrophobicContact CE-CB 3.81Å; M125-L210 HydrophobicContact CE-CD1 4.08Å; M125-L210 HydrophobicContact CE-CD2 4.36Å; M125-L210 HydrophobicContact CE-CG 4.31Å; M125-Y213 VanDerWaalsContact C-OH 3.29Å; M125-Y213 WeakPolarHBondContact CB-OH 3.46Å
126R95.9Very high94.2Very high97 Ų9762 Ų6237%0.36633%0.33SS..Hα-helixtrans-61.8-31.9176.1-167.4174.6-174153.97.2112.3D122 E123 A124 L128 S132 Y213 K216 S217D122-R126 WeakPolarHBondContact O-CB 3.26Å; D122-R126 PolarHBondContact O-N 3.14Å; E123-R126 WeakPolarHBondContact O-CB 3.28Å; E123-R126 PolarHBondContact O-N 3.34Å; A124-R126 VanDerWaalsContact C-N 3.31Å; A124-R126 PolarHBondContact O-N 2.68Å; R126-L128 VanDerWaalsContact C-N 3.29Å; R126-S132 WeakPolarHBondContact O-CB 3.35Å; R126-S132 PolarHBondContact O-OG 3.41Å; R126-Y213 HydrophobicContact CB-CD1 4.03Å; R126-Y213 HydrophobicContact CB-CE1 3.53Å; R126-Y213 HydrophobicContact CB-CE2 4.33Å; R126-Y213 HydrophobicContact CG-CD1 3.77Å; R126-Y213 HydrophobicContact CG-CE1 3.82Å; R126-Y213 HydrophobicContact CG-CG 4.2Å; R126-Y213 PolarHBondContact N-OH 2.91Å; R126-K216 VanDerWaalsContact CZ-O 3.27Å; R126-K216 PolarHBondContact NH1-O 3.23Å; R126-K216 PolarHBondContact NH2-O 3.1Å; R126-S217 PolarHBondContact NH2-OG 2.95Å; R126-S217 VanDerWaalsContact NH2-OG 3.11Å
127N95.4Very high93.9Very high118 Ų11865.4 Ų65.463%0.63134%0.343SS*.THydrogen-bonded Turntrans-83.1-2.7178.5-68.4-47.3000113.7E123 A124 M125 P129E123-N127 PolarHBondContact O-N 2.95Å; E123-N127 PolarHBondContact O-ND2 2.85Å; A124-N127 PolarHBondContact O-N 2.84Å; M125-N127 PolarHBondContact O-N 3.44Å; N127-P129 WeakPolarHBondContact O-CD 3.48Å
128L94.9Very high93.8Very high64 Ų6465.5 Ų65.534%0.33534%0.344SS..  trans-98.5112.7176.7-67.2174000110.4Y70 A124 M125 R126 E130 L131 S132Y70-L128 HydrophobicContact CD2-CD1 4.36Å; Y70-L128 HydrophobicContact CE1-CD1 4.39Å; Y70-L128 HydrophobicContact CE2-CD1 3.49Å; Y70-L128 VanDerWaalsContact CE2-CD1 3.49Å; Y70-L128 WeakPolarHBondContact OH-CD1 3.46Å; A124-L128 PolarHBondContact O-N 3.12Å; M125-L128 PolarHBondContact O-N 3.08Å; R126-L128 VanDerWaalsContact C-N 3.29Å; L128-E130 PolarHBondContact O-N 2.9Å; L128-L131 HydrophobicContact CB-CB 4.36Å; L128-L131 HydrophobicContact CB-CD1 4.36Å; L128-L131 HydrophobicContact CB-CG 4.46Å; L128-L131 HydrophobicContact CD1-CD1 3.96Å; L128-L131 PolarHBondContact O-N 3.27Å; L128-S132 PolarHBondContact O-N 3Å; L128-S132 PolarHBondContact O-OG 3.22Å; L128-S132 VanDerWaalsContact O-OG 3.08Å
129P91.6Very high93.8Very high103 Ų10365.5 Ų65.567%0.66934%0.344SS*.Hα-helixtrans-56.8-25.8-177.9-2735.2000114.5N127 L131 G133N127-P129 WeakPolarHBondContact O-CD 3.48Å; P129-L131 PolarHBondContact O-N 2.84Å; P129-G133 WeakPolarHBondContact O-CA 3.48Å; P129-G133 PolarHBondContact O-N 2.83Å
130E92.2Very high93.8Very high149 Ų14963.7 Ų63.770%0.69634%0.335SS*.Hα-helixtrans-72.2-16.7178-61.9174.3-152.800113.9R66 L128R66-E130 PolarHBondContact NH1-O 2.8Å; L128-E130 PolarHBondContact O-N 2.9Å
131L91.7Very high93.8Very high10 Ų1059.6 Ų59.65%0.05232%0.317CS..Hα-helixtrans-117.3-12.8-178.5-63.6178.7000113.2R66 V67 Y70 M125 L128 P129 Y213R66-L131 HydrophobicContact CB-CD2 3.5Å; V67-L131 HydrophobicContact CG2-CD2 4.45Å; Y70-L131 HydrophobicContact CD1-CD1 4.07Å; Y70-L131 HydrophobicContact CD2-CD1 3.67Å; Y70-L131 HydrophobicContact CE2-CD1 4.18Å; Y70-L131 HydrophobicContact CG-CD1 3.6Å; M125-L131 HydrophobicContact CB-CB 4.49Å; M125-L131 HydrophobicContact CB-CD1 3.9Å; M125-L131 HydrophobicContact CG-CD1 3.61Å; M125-L131 HydrophobicContact SD-CD1 4.11Å; L128-L131 HydrophobicContact CB-CB 4.36Å; L128-L131 HydrophobicContact CB-CD1 4.36Å; L128-L131 HydrophobicContact CB-CG 4.46Å; L128-L131 HydrophobicContact CD1-CD1 3.96Å; L128-L131 PolarHBondContact O-N 3.27Å; P129-L131 PolarHBondContact O-N 2.84Å; L131-Y213 WeakPolarHBondContact O-CE2 3.42Å
132S89.1Confident93.8Very high38 Ų3859.6 Ų59.627%0.26632%0.317SS..Hα-helixtrans-132.90.1-176.269.20000115.7R126 L128R126-S132 WeakPolarHBondContact O-CB 3.35Å; R126-S132 PolarHBondContact O-OG 3.41Å; L128-S132 PolarHBondContact O-N 3Å; L128-S132 PolarHBondContact O-OG 3.22Å; L128-S132 VanDerWaalsContact O-OG 3.08Å
133G84.7Confident93.9Very high27 Ų2759.2 Ų59.228%0.27832%0.315SS..SBendtrans-66.9160.517600000112.8P129 N135 E136P129-G133 WeakPolarHBondContact O-CA 3.48Å; P129-G133 PolarHBondContact O-N 2.83Å; G133-N135 PolarHBondContact O-N 2.99Å; G133-E136 PolarHBondContact O-N 3.27Å
134D82.7Confident93.9Very high164 Ų16453.3 Ų53.388%0.87729%0.288SS*.THydrogen-bonded Turntrans-54.8-21.8-172.8-62.1-21.3000115.6
135N86.6Confident94Very high168 Ų16851.4 Ų51.490%0.89827%0.272SS*.THydrogen-bonded Turntrans-94.5-5.6179.4-65.9-36.5000113.7G133G133-N135 PolarHBondContact O-N 2.99Å
136E90.8Very high94.1Very high33 Ų3351.4 Ų51.415%0.15427%0.272CS..  trans-107116.3-179.4-175.750.7-104.500109.4R66 G133 S138R66-E136 WeakPolarHBondContact CD-OE2 3.3Å; R66-E136 IonicContact CZ-OE2 3.23Å; R66-E136 IonicContact NE-OE2 2.75Å; R66-E136 PolarHBondContact NE-OE2 3.24Å; R66-E136 IonicContact NH1-OE2 2.83Å; G133-E136 PolarHBondContact O-N 3.27Å; E136-S138 VanDerWaalsContact CD-OG 3.31Å; E136-S138 WeakPolarHBondContact OE1-CA 3.27Å; E136-S138 WeakPolarHBondContact OE1-CB 3.44Å; E136-S138 PolarHBondContact OE1-N 2.94Å; E136-S138 PolarHBondContact OE1-OG 3.08Å
137K93.5Very high94.1Very high104 Ų10447 Ų4745%0.45226%0.255SS..  trans-122.38.1-176-64.6-173.6171.5-123.50112.2A63 E214A63-K137 HydrophobicContact CB-CB 4.43Å; K137-E214 IonicContact NZ-OE1 3.26Å; K137-E214 IonicContact NZ-OE2 2.74Å; K137-E214 PolarHBondContact NZ-OE2 3.08Å
138S96.7Very high94.1Very high2 Ų241.4 Ų41.41%0.01423%0.226CC..  trans-66.8147.4-178.256.70000111.9H62 G64 V67 E136 D212H62-S138 WeakPolarHBondContact O-CA 3.4Å; H62-S138 WeakPolarHBondContact O-CB 3.36Å; G64-S138 VanDerWaalsContact O-CB 3.28Å; G64-S138 WeakPolarHBondContact O-CB 3.3Å; V67-S138 WeakPolarHBondContact CG2-O 3.39Å; V67-S138 WeakPolarHBondContact CG2-OG 3.29Å; E136-S138 VanDerWaalsContact CD-OG 3.31Å; E136-S138 WeakPolarHBondContact OE1-CA 3.27Å; E136-S138 WeakPolarHBondContact OE1-CB 3.44Å; E136-S138 PolarHBondContact OE1-N 2.94Å; E136-S138 PolarHBondContact OE1-OG 3.08Å; S138-D212 PolarHBondContact O-N 2.93Å
139G98.2Very high94Very high0 Ų040.1 Ų40.10%022%0.221CC..EExtended strand (participates in β ladder)trans-133.3176.5164.700000109.2H62 L210H62-G139 VanDerWaalsContact CE1-C 3.49Å; H62-G139 PolarHBondContact N-O 3.34Å; H62-G139 VanDerWaalsContact NE2-CA 3.32Å; H62-G139 WeakPolarHBondContact NE2-CA 3.24Å; H62-G139 PolarHBondContact NE2-N 2.95Å; H62-G139 PolarHBondContact O-N 3.46Å; G139-L210 CarbonylContact C-O 3.48Å; G139-L210 WeakPolarHBondContact CA-O 3.37Å
140S98.7Very high94Very high0 Ų035.7 Ų35.70%019%0.194CC..EExtended strand (participates in β ladder)trans-150.6137.6172.6-169.90000111.9D60 A68 A209 L210D60-S140 CarbonylContact O-C 3.48Å; D60-S140 WeakPolarHBondContact O-CA 3.43Å; D60-S140 WeakPolarHBondContact O-CB 3.38Å; D60-S140 PolarHBondContact O-OG 2.83Å; A68-S140 WeakPolarHBondContact CA-OG 3.39Å; A68-S140 WeakPolarHBondContact CB-OG 3.39Å; S140-A209 WeakPolarHBondContact O-CA 3.45Å; S140-L210 PolarHBondContact N-O 2.78Å; S140-L210 PolarHBondContact O-N 2.86Å
141T98.8Very high94.2Very high1 Ų129.2 Ų29.21%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-73.5156.8162.281.20000109.7F59 D60 L157 D159 S160 V206F59-T141 VanDerWaalsContact CA-O 3.29Å; F59-T141 WeakPolarHBondContact CA-O 3.46Å; D60-T141 HydrophobicContact CB-CG2 4.36Å; D60-T141 WeakPolarHBondContact CB-OG1 3.31Å; D60-T141 PolarHBondContact N-O 3.08Å; D60-T141 PolarHBondContact O-N 3.06Å; T141-L157 CarbonylContact C-O 3.48Å; T141-L157 WeakPolarHBondContact CA-O 3.14Å; T141-L157 VanDerWaalsContact CB-O 3.28Å; T141-L157 WeakPolarHBondContact CB-O 3.41Å; T141-D159 WeakPolarHBondContact CG2-OD1 3.32Å; T141-S160 PolarHBondContact OG1-OG 3.17Å; T141-V206 HydrophobicContact CG2-CG1 3.97Å
142V98.8Very high94.5Very high0 Ų028.7 Ų28.70%016%0.161CC..EExtended strand (participates in β ladder)trans-139.1126.1173.8-172.40000108.5F59 L75 F118 C144 N156 L157 L210F59-V142 HydrophobicContact CD1-CB 4.29Å; F59-V142 HydrophobicContact CD1-CG1 3.96Å; F59-V142 HydrophobicContact CD1-CG2 3.66Å; F59-V142 HydrophobicContact CE1-CB 4.36Å; F59-V142 HydrophobicContact CE1-CG1 3.62Å; F59-V142 HydrophobicContact CE1-CG2 3.88Å; F59-V142 HydrophobicContact CZ-CG1 4.19Å; L75-V142 HydrophobicContact CD2-CG1 3.88Å; F118-V142 HydrophobicContact CE1-CB 3.81Å; F118-V142 HydrophobicContact CE1-CG1 4.06Å; F118-V142 HydrophobicContact CE1-CG2 4.25Å; F118-V142 HydrophobicContact CZ-CB 4.08Å; F118-V142 HydrophobicContact CZ-CG1 3.81Å; V142-C144 HydrophobicContact CG1-CB 4.45Å; V142-N156 CarbonylContact O-C 3.58Å; V142-L157 HydrophobicContact CB-CB 4.37Å; V142-L157 HydrophobicContact CG2-CD2 4.45Å; V142-L157 PolarHBondContact N-O 2.64Å; V142-L157 WeakPolarHBondContact O-CA 3.49Å; V142-L157 PolarHBondContact O-N 3.3Å; V142-L210 HydrophobicContact CG2-CD1 3.57Å; V142-L210 HydrophobicContact CG2-CG 4.07Å
143V98.9Very high94.9Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-118.6125.8159.570.10000108.1A57 V58 A155 A162 L250A57-V143 CarbonylContact C-O 3.58Å; A57-V143 VanDerWaalsContact CA-O 3.22Å; A57-V143 WeakPolarHBondContact CA-O 3.4Å; V58-V143 HydrophobicContact CB-CG1 4.03Å; V58-V143 PolarHBondContact N-O 3.25Å; V58-V143 PolarHBondContact O-N 2.9Å; V143-A155 WeakPolarHBondContact CA-O 3.44Å; V143-A162 HydrophobicContact CG2-CB 3.69Å; V143-L250 HydrophobicContact CG1-CB 4.14Å; V143-L250 HydrophobicContact CG1-CD2 4.31Å; V143-L250 HydrophobicContact CG2-CD2 4.04Å
144C98.8Very high95.6Very high1 Ų125.8 Ų25.81%0.00714%0.136CC..EExtended strand (participates in β ladder)trans-135.4155.6178.875.30000112.5F55 F56 A57 V142 V154 A155F55-C144 HydrophobicContact CE2-CB 3.86Å; F55-C144 HydrophobicContact CZ-CB 3.77Å; F56-C144 CarbonylContact O-C 3.53Å; F56-C144 WeakPolarHBondContact O-CA 3.2Å; F56-C144 WeakPolarHBondContact O-CB 3.27Å; A57-C144 HydrophobicContact CB-CB 3.53Å; V142-C144 HydrophobicContact CG1-CB 4.45Å; C144-V154 WeakPolarHBondContact O-CA 3.39Å; C144-A155 PolarHBondContact N-O 3.33Å; C144-A155 PolarHBondContact O-N 3.11Å
145A98.8Very high96.4Very high0 Ų018 Ų180%09%0.094CC..EExtended strand (participates in β ladder)trans-134.4133.6175.600000110.8F55 F56 I152 F153 V154 L248 L250F55-A145 WeakPolarHBondContact CA-O 3.31Å; F56-A145 PolarHBondContact N-O 3.13Å; F56-A145 PolarHBondContact O-N 3.02Å; A145-I152 HydrophobicContact CB-CG2 4.47Å; A145-F153 CarbonylContact C-O 3.57Å; A145-F153 WeakPolarHBondContact CA-O 3.42Å; A145-V154 HydrophobicContact CB-CG2 4.46Å; A145-L248 HydrophobicContact CB-CD1 4.4Å; A145-L248 HydrophobicContact CB-CD2 3.45Å; A145-L248 VanDerWaalsContact CB-CD2 3.45Å; A145-L250 HydrophobicContact CB-CD1 4.26Å; A145-L250 HydrophobicContact CB-CD2 4.29Å
146L98.4Very high97Very high0 Ų010 Ų100%05%0.052CC..EExtended strand (participates in β ladder)trans-112.4114.7171.7-173.775.5000108.4L46 W53 S54 F55 F79 V110 F153L46-L146 HydrophobicContact CD1-CD1 3.95Å; W53-L146 HydrophobicContact CE3-CD1 4.04Å; W53-L146 HydrophobicContact CE3-CD2 3.54Å; W53-L146 HydrophobicContact CE3-CG 3.88Å; W53-L146 HydrophobicContact CZ3-CD2 3.45Å; W53-L146 VanDerWaalsContact CZ3-CD2 3.45Å; W53-L146 HydrophobicContact CZ3-CG 4.29Å; S54-L146 CarbonylContact O-C 3.59Å; S54-L146 WeakPolarHBondContact O-CA 3.22Å; F55-L146 HydrophobicContact CB-CD1 4Å; F55-L146 HydrophobicContact CD2-CB 4.33Å; F55-L146 HydrophobicContact CD2-CD1 3.9Å; F55-L146 HydrophobicContact CG-CD1 4.44Å; F79-L146 HydrophobicContact CE1-CD1 4.36Å; F79-L146 HydrophobicContact CE1-CD2 3.62Å; F79-L146 HydrophobicContact CZ-CD2 3.65Å; V110-L146 HydrophobicContact CG1-CD2 3.82Å; L146-F153 HydrophobicContact CB-CB 4.2Å; L146-F153 PolarHBondContact N-O 3.03Å; L146-F153 PolarHBondContact O-N 3.34Å
147I97.4Very high97.3Very high4 Ų48.4 Ų8.42%0.0214%0.044CC..EExtended strand (participates in β ladder)trans-99123.4-178.6-53.1179.7000108.1V22 W53 S54 F56 I152 L248 V303 L305V22-I147 HydrophobicContact CG1-CD1 4.4Å; V22-I147 HydrophobicContact CG1-CG2 4.46Å; W53-I147 CarbonylContact C-O 3.54Å; W53-I147 WeakPolarHBondContact CA-O 3.15Å; S54-I147 PolarHBondContact N-O 3.26Å; S54-I147 PolarHBondContact O-N 2.92Å; F56-I147 HydrophobicContact CD2-CD1 4.04Å; F56-I147 HydrophobicContact CD2-CG1 4.5Å; F56-I147 HydrophobicContact CE2-CD1 3.83Å; I147-I152 HydrophobicContact CG1-CG1 4.45Å; I147-I152 HydrophobicContact CG1-CG2 4.43Å; I147-I152 HydrophobicContact CG2-CG1 4.42Å; I147-L248 HydrophobicContact CD1-CD2 4.01Å; I147-L248 HydrophobicContact CG1-CD2 4.42Å; I147-V303 HydrophobicContact CD1-CG1 3.83Å; I147-L305 HydrophobicContact CD1-CD2 4.07Å
148T95.2Very high97.6Very high2 Ų23.4 Ų3.41%0.0122%0.023CC..  trans-112.8172.1173.672.60000109.1W53 G150 H151 F153 R239W53-T148 HydrophobicContact CD2-CG2 3.55Å; W53-T148 VanDerWaalsContact CE2-CG2 3.48Å; W53-T148 HydrophobicContact CE3-CG2 3.85Å; W53-T148 HydrophobicContact CG-CG2 4.05Å; W53-T148 HydrophobicContact CH2-CG2 4.02Å; W53-T148 HydrophobicContact CZ2-CG2 3.75Å; W53-T148 HydrophobicContact CZ3-CG2 4.07Å; T148-G150 PolarHBondContact O-N 3.47Å; T148-G150 PolarHBondContact OG1-N 2.77Å; T148-H151 PolarHBondContact N-O 2.89Å; T148-H151 WeakPolarHBondContact OG1-CA 3.13Å; T148-H151 PolarHBondContact OG1-N 3.48Å; T148-H151 PolarHBondContact OG1-O 2.98Å; T148-F153 HydrophobicContact CG2-CD2 4.01Å; T148-F153 HydrophobicContact CG2-CE2 3.7Å; T148-R239 WeakPolarHBondContact O-CD 3.19Å
149P92Very high97.7Very high36 Ų363.6 Ų3.623%0.2342%0.024CC..SBendtrans-56.8-32.4176.5-28.436.6000114.4R239P149-R239 PolarHBondContact O-NH1 3.1Å
150G93Very high97.7Very high11 Ų113.6 Ų3.611%0.1132%0.024CC..SBendtrans-112.9-14.5-17600000116.3T148 R239T148-G150 PolarHBondContact O-N 3.47Å; T148-G150 PolarHBondContact OG1-N 2.77Å; G150-R239 PolarHBondContact O-N 2.81Å
151H95.8Very high97.7Very high12 Ų125.5 Ų5.56%0.0563%0.031CC..EExtended strand (participates in β ladder)trans-143150.2-173.2-55.290.7000112.6L102 T148 F153 V236 I237L102-H151 PolarHBondContact O-CE1 3.16Å; T148-H151 PolarHBondContact N-O 2.89Å; T148-H151 WeakPolarHBondContact OG1-CA 3.13Å; T148-H151 PolarHBondContact OG1-N 3.48Å; T148-H151 PolarHBondContact OG1-O 2.98Å; H151-F153 HydrophobicContact CB-CD2 4.18Å; H151-F153 HydrophobicContact CB-CE2 3.63Å; H151-F153 HydrophobicContact CB-CZ 4.09Å; H151-V236 HydrophobicContact CB-CG1 4.25Å; H151-I237 CarbonylContact C-O 3.45Å; H151-I237 VanDerWaalsContact CA-O 3.29Å; H151-I237 WeakPolarHBondContact CA-O 3.49Å
152I97.5Very high97.7Very high0 Ų05.4 Ų5.40%03%0.03CC..EExtended strand (participates in β ladder)trans-108.9114.4162.9-56.2171.5000107.1A145 I147 V154 I237 R239 E245 L305A145-I152 HydrophobicContact CB-CG2 4.47Å; I147-I152 HydrophobicContact CG1-CG1 4.45Å; I147-I152 HydrophobicContact CG1-CG2 4.43Å; I147-I152 HydrophobicContact CG2-CG1 4.42Å; I152-V154 HydrophobicContact CG2-CG2 3.95Å; I152-I237 HydrophobicContact CB-CB 4.32Å; I152-I237 PolarHBondContact N-O 3.17Å; I152-I237 PolarHBondContact O-N 3.1Å; I152-R239 HydrophobicContact CG1-CG 4.02Å; I152-E245 WeakPolarHBondContact CD1-OE1 3.26Å; I152-L305 HydrophobicContact CD1-CD1 3.99Å
153F98.6Very high97.6Very high2 Ų25.4 Ų5.41%0.0093%0.03CC..EExtended strand (participates in β ladder)trans-91.5129.8171-60.7-99000108.3L102 V107 V110 L114 A145 L146 T148 H151 F235 V236L102-F153 HydrophobicContact CD1-CE2 4.12Å; L102-F153 HydrophobicContact CD1-CZ 3.96Å; V107-F153 HydrophobicContact CB-CE1 4.5Å; V107-F153 HydrophobicContact CB-CZ 4.45Å; V107-F153 HydrophobicContact CG1-CE1 3.92Å; V107-F153 HydrophobicContact CG1-CZ 4.25Å; V107-F153 HydrophobicContact CG2-CZ 4.28Å; V110-F153 HydrophobicContact CB-CD1 4.07Å; V110-F153 HydrophobicContact CB-CE1 3.58Å; V110-F153 HydrophobicContact CB-CE2 4.3Å; V110-F153 HydrophobicContact CB-CZ 3.72Å; V110-F153 HydrophobicContact CG1-CB 4.49Å; V110-F153 HydrophobicContact CG1-CD1 3.51Å; V110-F153 HydrophobicContact CG1-CD2 3.84Å; V110-F153 HydrophobicContact CG1-CE1 3.53Å; V110-F153 HydrophobicContact CG1-CE2 3.85Å; V110-F153 HydrophobicContact CG1-CG 3.68Å; V110-F153 HydrophobicContact CG1-CZ 3.71Å; V110-F153 HydrophobicContact CG2-CE1 4.4Å; V110-F153 HydrophobicContact CG2-CE2 4.44Å; V110-F153 HydrophobicContact CG2-CZ 4.05Å; L114-F153 HydrophobicContact CD1-CB 3.91Å; A145-F153 CarbonylContact C-O 3.57Å; A145-F153 WeakPolarHBondContact CA-O 3.42Å; L146-F153 HydrophobicContact CB-CB 4.2Å; L146-F153 PolarHBondContact N-O 3.03Å; L146-F153 PolarHBondContact O-N 3.34Å; T148-F153 HydrophobicContact CG2-CD2 4.01Å; T148-F153 HydrophobicContact CG2-CE2 3.7Å; H151-F153 HydrophobicContact CB-CD2 4.18Å; H151-F153 HydrophobicContact CB-CE2 3.63Å; H151-F153 HydrophobicContact CB-CZ 4.09Å; F153-F235 CarbonylContact C-O 3.55Å; F153-F235 WeakPolarHBondContact CA-O 3.18Å; F153-V236 HydrophobicContact CD1-CB 4.45Å; F153-V236 HydrophobicContact CD1-CG1 4.18Å; F153-V236 HydrophobicContact CD1-CG2 3.69Å; F153-V236 HydrophobicContact CE1-CB 4.5Å; F153-V236 HydrophobicContact CE1-CG1 3.92Å; F153-V236 HydrophobicContact CE1-CG2 3.79Å; F153-V236 HydrophobicContact CZ-CG1 4.3Å
154V98.8Very high97.6Very high1 Ų15.4 Ų5.41%0.0063%0.03CC..EExtended strand (participates in β ladder)trans-120.9131.2177.4-178.10000108.8C144 A145 I152 A162 F172 T174 L234 F235 I237C144-V154 WeakPolarHBondContact O-CA 3.39Å; A145-V154 HydrophobicContact CB-CG2 4.46Å; I152-V154 HydrophobicContact CG2-CG2 3.95Å; V154-A162 HydrophobicContact CG1-CB 3.71Å; V154-F172 HydrophobicContact CB-CE1 4.26Å; V154-F172 HydrophobicContact CB-CZ 4.44Å; V154-F172 HydrophobicContact CG1-CE1 4.17Å; V154-F172 HydrophobicContact CG1-CZ 4.49Å; V154-F172 HydrophobicContact CG2-CE1 4.1Å; V154-T174 HydrophobicContact CG1-CG2 3.6Å; V154-L234 WeakPolarHBondContact O-CA 3.4Å; V154-F235 HydrophobicContact CB-CB 4.37Å; V154-F235 PolarHBondContact N-O 3.14Å; V154-F235 PolarHBondContact O-N 2.95Å; V154-I237 HydrophobicContact CG2-CD1 4.21Å
155A98.8Very high97.5Very high0 Ų05.4 Ų5.40%03%0.03CC..EExtended strand (participates in β ladder)trans-117.2128.4169.500000109.2F118 V143 C144 P232 D233 L234F118-A155 HydrophobicContact CE2-CB 3.98Å; F118-A155 HydrophobicContact CZ-CB 3.98Å; V143-A155 WeakPolarHBondContact CA-O 3.44Å; C144-A155 PolarHBondContact N-O 3.33Å; C144-A155 PolarHBondContact O-N 3.11Å; A155-P232 HydrophobicContact CB-CB 4.15Å; A155-D233 WeakPolarHBondContact CA-O 3.34Å; A155-L234 HydrophobicContact CB-CD2 3.5Å; A155-L234 VanDerWaalsContact CB-CD2 3.5Å
156N98.8Very high97.3Very high0 Ų07.3 Ų7.30%04%0.039CC..EExtended strand (participates in β ladder)trans-117.7133.1175.1-167.845.9000111V142 G158 S160 T174 E175 H177 P232 D233V142-N156 CarbonylContact O-C 3.58Å; N156-G158 PolarHBondContact ND2-O 3.4Å; N156-S160 PolarHBondContact OD1-O 2.86Å; N156-T174 HydrophobicContact CB-CG2 3.77Å; N156-E175 PolarHBondContact ND2-O 2.86Å; N156-H177 PolarHBondContact O-CE1 3.38Å; N156-P232 CarbonylContact O-C 3.41Å; N156-P232 WeakPolarHBondContact O-CA 3.39Å; N156-P232 WeakPolarHBondContact O-CB 3.26Å; N156-D233 PolarHBondContact N-O 2.99Å; N156-D233 PolarHBondContact O-N 2.65Å
157L98.8Very high97Very high0 Ų09.9 Ų9.90%07%0.066CC..EExtended strand (participates in β ladder)trans-141.783.1176.4-17486.5000109.5F118 T141 V142 R208 A209 L210 P230 E231 P232F118-L157 HydrophobicContact CD1-CB 4.18Å; F118-L157 HydrophobicContact CD1-CD2 3.91Å; F118-L157 HydrophobicContact CD1-CG 4.42Å; F118-L157 HydrophobicContact CE1-CB 3.67Å; F118-L157 HydrophobicContact CE1-CD2 4.02Å; F118-L157 HydrophobicContact CE1-CG 4.36Å; T141-L157 CarbonylContact C-O 3.48Å; T141-L157 WeakPolarHBondContact CA-O 3.14Å; T141-L157 VanDerWaalsContact CB-O 3.28Å; T141-L157 WeakPolarHBondContact CB-O 3.41Å; V142-L157 HydrophobicContact CB-CB 4.37Å; V142-L157 HydrophobicContact CG2-CD2 4.45Å; V142-L157 PolarHBondContact N-O 2.64Å; V142-L157 WeakPolarHBondContact O-CA 3.49Å; V142-L157 PolarHBondContact O-N 3.3Å; L157-R208 HydrophobicContact CD1-CB 3.8Å; L157-R208 HydrophobicContact CG-CB 4.18Å; L157-A209 VanDerWaalsContact CD2-C 3.46Å; L157-L210 HydrophobicContact CD2-CD2 4.03Å; L157-L210 HydrophobicContact CD2-CG 3.74Å; L157-P230 WeakPolarHBondContact CD1-O 3.36Å; L157-E231 VanDerWaalsContact CD1-O 3.26Å; L157-E231 WeakPolarHBondContact CD1-O 3.45Å; L157-P232 HydrophobicContact CB-CB 4.34Å; L157-P232 HydrophobicContact CD1-CB 4.47Å
158G98.6Very high96.7Very high0 Ų011.2 Ų11.20%08%0.081CC..SBendtrans130.6-150.8175.100000109.8N156 H177 R208N156-G158 PolarHBondContact ND2-O 3.4Å; G158-H177 PolarHBondContact N-ND1 3.16Å; G158-H177 VanDerWaalsContact N-ND1 3.14Å; G158-H177 PolarHBondContact O-N 3.01Å; G158-R208 WeakPolarHBondContact CA-O 3.43Å
159D98.3Very high96.7Very high6 Ų619 Ų193%0.03211%0.11CC..SBendtrans-111.59.7-17955.1-2.5000114.6T141 D176 K178 V206T141-D159 WeakPolarHBondContact CG2-OD1 3.32Å; D159-D176 HydrophobicContact CB-CB 4.01Å; D159-K178 HydrophobicContact CB-CD 4.07Å; D159-K178 VanDerWaalsContact CB-CE 3.47Å; D159-K178 VanDerWaalsContact CB-NZ 3.31Å; D159-K178 IonicContact OD2-NZ 3.82Å; D159-K178 PolarHBondContact OD2-NZ 2.94Å; D159-V206 HydrophobicContact CB-CG1 4.47Å; D159-V206 VanDerWaalsContact CG-CG1 3.42Å; D159-V206 WeakPolarHBondContact OD1-CG1 3.07Å; D159-V206 VanDerWaalsContact OD2-CG1 3.31Å; D159-V206 WeakPolarHBondContact OD2-CG1 3.34Å
160S98.6Very high96.9Very high0 Ų019 Ų190%011%0.109CC..  trans-59.9159148.1-69.50000110.1T141 N156 A251T141-S160 PolarHBondContact OG1-OG 3.17Å; N156-S160 PolarHBondContact OD1-O 2.86Å; S160-A251 WeakPolarHBondContact CA-O 3.34Å
161R98.8Very high97Very high39 Ų3920.9 Ų20.915%0.14712%0.12CC..EExtended strand (participates in β ladder)trans-143.5143.9-175-171.1-171.9-60.8153.49113.1T174 D176 A251 F256 N261R161-T174 WeakPolarHBondContact CA-OG1 3.26Å; R161-T174 VanDerWaalsContact CG-OG1 3.32Å; R161-T174 WeakPolarHBondContact CG-OG1 3.43Å; R161-D176 IonicContact CZ-OD1 2.72Å; R161-D176 IonicContact CZ-OD2 3.37Å; R161-D176 IonicContact NE-OD1 3.86Å; R161-D176 PolarHBondContact NE-OD1 2.99Å; R161-D176 IonicContact NE-OD2 2.68Å; R161-D176 VanDerWaalsContact NH2-CG 3.28Å; R161-D176 IonicContact NH2-OD1 3.43Å; R161-D176 PolarHBondContact NH2-OD1 2.89Å; R161-D176 IonicContact NH2-OD2 3.12Å; R161-D176 PolarHBondContact NH2-OD2 3.31Å; R161-A251 PolarHBondContact N-O 3.07Å; R161-A251 PolarHBondContact O-N 3.2Å; R161-F256 HydrophobicContact CB-CD2 3.67Å; R161-F256 HydrophobicContact CB-CE2 3.53Å; R161-F256 HydrophobicContact CB-CG 4.24Å; R161-F256 HydrophobicContact CB-CZ 4Å; R161-F256 HydrophobicContact CG-CE2 4.32Å; R161-F256 HydrophobicContact CG-CZ 4.3Å; R161-F256 WeakPolarHBondContact O-CE2 3.47Å; R161-N261 WeakPolarHBondContact CD-OD1 3.29Å; R161-N261 PolarHBondContact NH1-OD1 2.94Å
162A98.7Very high97.1Very high0 Ų022 Ų220%013%0.125CC..EExtended strand (participates in β ladder)trans-106145.3168.500000109.7V143 V154 A173 T174 L249 L250V143-A162 HydrophobicContact CG2-CB 3.69Å; V154-A162 HydrophobicContact CG1-CB 3.71Å; A162-A173 CarbonylContact O-C 3.51Å; A162-A173 WeakPolarHBondContact O-CA 3.43Å; A162-T174 HydrophobicContact CB-CG2 3.87Å; A162-T174 PolarHBondContact N-OG1 3.07Å; A162-T174 PolarHBondContact O-N 2.94Å; A162-L249 CarbonylContact C-O 3.49Å; A162-L249 VanDerWaalsContact CA-O 3.27Å; A162-L249 WeakPolarHBondContact CA-O 3.37Å; A162-L250 HydrophobicContact CB-CD2 3.36Å
163L97.9Very high97.2Very high0 Ų023.6 Ų23.60%014%0.139CC..EExtended strand (participates in β ladder)trans-137.1147.6166.165.583.7000111.3V170 F172 A173 F247 L248 L249 F256 N261 L264L163-V170 HydrophobicContact CB-CG1 4.38Å; L163-F172 CarbonylContact C-O 3.56Å; L163-F172 VanDerWaalsContact CA-O 3.26Å; L163-F172 WeakPolarHBondContact CA-O 3.38Å; L163-A173 HydrophobicContact CB-CB 4.21Å; L163-F247 HydrophobicContact CD1-CD2 4.46Å; L163-F247 HydrophobicContact CD1-CE2 3.67Å; L163-F247 HydrophobicContact CD1-CZ 4.41Å; L163-L248 WeakPolarHBondContact O-CA 3.34Å; L163-L249 HydrophobicContact CD1-CB 3.79Å; L163-L249 HydrophobicContact CD1-CD2 4.36Å; L163-L249 HydrophobicContact CD2-CD2 3.9Å; L163-L249 HydrophobicContact CG-CB 3.9Å; L163-L249 HydrophobicContact CG-CD2 4.09Å; L163-L249 PolarHBondContact N-O 3.41Å; L163-L249 PolarHBondContact O-N 3.45Å; L163-F256 HydrophobicContact CD2-CE1 3.8Å; L163-F256 HydrophobicContact CD2-CZ 4.06Å; L163-N261 HydrophobicContact CD2-CB 4.43Å; L163-L264 HydrophobicContact CD2-CD2 4.48Å
164V97.7Very high97.2Very high0 Ų023.9 Ų23.90%014%0.14CC..EExtended strand (participates in β ladder)trans-117.6130.9173.2-1780000108.5Q166 S171 F172 I237 L248V164-Q166 HydrophobicContact CG1-CG 4.06Å; V164-S171 PolarHBondContact O-N 3.31Å; V164-S171 PolarHBondContact O-OG 3.42Å; V164-F172 HydrophobicContact CB-CB 4.23Å; V164-F172 HydrophobicContact CG2-CD1 4.12Å; V164-F172 PolarHBondContact N-O 2.95Å; V164-F172 PolarHBondContact O-N 3.28Å; V164-I237 HydrophobicContact CG2-CD1 3.75Å; V164-L248 HydrophobicContact CG2-CD1 3.77Å
165C96.8Very high97.1Very high0 Ų029.6 Ų29.60%017%0.167CC..EExtended strand (participates in β ladder)trans-100125.1174.6-176.60000110.3R169 E246 F247 C265C165-R169 WeakPolarHBondContact CA-O 3.47Å; C165-E246 HydrophobicContact CB-CB 4.46Å; C165-E246 PolarHBondContact O-N 2.92Å; C165-E246 PolarHBondContact SG-OE2 3.49Å; C165-F247 HydrophobicContact CB-CD1 3.59Å; C165-F247 HydrophobicContact CB-CD2 4.11Å; C165-F247 HydrophobicContact CB-CE1 3.2Å; C165-F247 HydrophobicContact CB-CE2 3.79Å; C165-F247 HydrophobicContact CB-CG 4.01Å; C165-F247 HydrophobicContact CB-CZ 3.31Å; C165-F247 PolarHBondContact N-O 3.36Å; C165-F247 WeakPolarHBondContact SG-CE1 3.38Å; C165-C265 PolarHBondContact SG-SG 3.32Å
166Q94.5Very high97.1Very high40 Ų4030.6 Ų30.619%0.18717%0.172CC..EExtended strand (participates in β ladder)trans-137.1128.4173.7-63.1174.7-24.900110.9V164 G168 R169 S171 N244V164-Q166 HydrophobicContact CG1-CG 4.06Å; Q166-G168 VanDerWaalsContact C-N 3.33Å; Q166-G168 PolarHBondContact O-N 3.28Å; Q166-R169 PolarHBondContact N-O 3.47Å; Q166-R169 VanDerWaalsContact O-CG 3.29Å; Q166-R169 WeakPolarHBondContact O-CG 3.36Å; Q166-R169 PolarHBondContact O-N 3.46Å; Q166-S171 VanDerWaalsContact CD-OG 3.3Å; Q166-S171 WeakPolarHBondContact CG-OG 3.45Å; Q166-S171 PolarHBondContact OE1-OG 2.91Å; Q166-S171 VanDerWaalsContact OE1-OG 3.06Å; Q166-N244 CarbonylContact C-O 3.52Å; Q166-N244 WeakPolarHBondContact CA-O 3.26Å; Q166-N244 VanDerWaalsContact CB-O 3.32Å; Q166-N244 WeakPolarHBondContact CB-O 3.44Å
167G91.3Very high97.1Very high55 Ų5530.7 Ų30.757%0.56717%0.173SC*.THydrogen-bonded Turntrans61.537.9178.300000113.9N244 E246G167-N244 PolarHBondContact N-O 2.93Å; G167-E246 PolarHBondContact N-OE2 2.9Å
168G91.7Very high97Very high32 Ų3232.3 Ų32.333%0.3318%0.18SC..THydrogen-bonded Turntrans80.311176.600000115Q166 E246Q166-G168 VanDerWaalsContact C-N 3.33Å; Q166-G168 PolarHBondContact O-N 3.28Å; G168-E246 VanDerWaalsContact CA-OE2 3.29Å; G168-E246 WeakPolarHBondContact CA-OE2 3.27Å; G168-E246 PolarHBondContact N-OE2 3.44Å
169R94.6Very high97Very high166 Ų16632.3 Ų32.363%0.62618%0.18SC*.EExtended strand (participates in β ladder)trans-142.2158.8-176.562.7178.9-176.8-177.83112.1C165 Q166 S171C165-R169 WeakPolarHBondContact CA-O 3.47Å; Q166-R169 PolarHBondContact N-O 3.47Å; Q166-R169 VanDerWaalsContact O-CG 3.29Å; Q166-R169 WeakPolarHBondContact O-CG 3.36Å; Q166-R169 PolarHBondContact O-N 3.46Å; R169-S171 PolarHBondContact O-N 3.26Å; R169-S171 VanDerWaalsContact O-N 3.11Å
170V96.7Very high96.9Very high34 Ų3437.4 Ų37.421%0.20620%0.199CC..EExtended strand (participates in β ladder)trans-66.7109.1170.7-176.80000108.6L163 F172 A173 N261 C265L163-V170 HydrophobicContact CB-CG1 4.38Å; V170-F172 WeakPolarHBondContact CG1-O 3.47Å; V170-A173 HydrophobicContact CG1-CB 4.25Å; V170-N261 HydrophobicContact CG1-CB 4.4Å; V170-N261 HydrophobicContact CG2-CB 4.08Å; V170-N261 WeakPolarHBondContact CG2-O 3.48Å; V170-C265 HydrophobicContact CG2-CB 3.61Å
171S96.1Very high96.9Very high52 Ų5239 Ų3936%0.36421%0.208SC..EExtended strand (participates in β ladder)trans-90.6-26.2177.265.20000112.5V164 Q166 R169V164-S171 PolarHBondContact O-N 3.31Å; V164-S171 PolarHBondContact O-OG 3.42Å; Q166-S171 VanDerWaalsContact CD-OG 3.3Å; Q166-S171 WeakPolarHBondContact CG-OG 3.45Å; Q166-S171 PolarHBondContact OE1-OG 2.91Å; Q166-S171 VanDerWaalsContact OE1-OG 3.06Å; R169-S171 PolarHBondContact O-N 3.26Å; R169-S171 VanDerWaalsContact O-N 3.11Å
172F97.9Very high96.8Very high35 Ų3542.3 Ų42.315%0.15423%0.234CC..EExtended strand (participates in β ladder)trans-147143.8177.9170.4-91.3000110.2V154 L163 V164 V170 T174 F235 I237V154-F172 HydrophobicContact CB-CE1 4.26Å; V154-F172 HydrophobicContact CB-CZ 4.44Å; V154-F172 HydrophobicContact CG1-CE1 4.17Å; V154-F172 HydrophobicContact CG1-CZ 4.49Å; V154-F172 HydrophobicContact CG2-CE1 4.1Å; L163-F172 CarbonylContact C-O 3.56Å; L163-F172 VanDerWaalsContact CA-O 3.26Å; L163-F172 WeakPolarHBondContact CA-O 3.38Å; V164-F172 HydrophobicContact CB-CB 4.23Å; V164-F172 HydrophobicContact CG2-CD1 4.12Å; V164-F172 PolarHBondContact N-O 2.95Å; V164-F172 PolarHBondContact O-N 3.28Å; V170-F172 WeakPolarHBondContact CG1-O 3.47Å; F172-T174 HydrophobicContact CE1-CG2 3.85Å; F172-T174 HydrophobicContact CZ-CG2 3.83Å; F172-F235 HydrophobicContact CE2-CB 3.78Å; F172-F235 AromaticContact CE2-CD1 3.68Å; F172-F235 HydrophobicContact CE2-CD1 3.68Å; F172-F235 HydrophobicContact CE2-CD2 4.26Å; F172-F235 HydrophobicContact CE2-CE1 4.32Å; F172-F235 AromaticContact CE2-CG 3.63Å; F172-F235 HydrophobicContact CE2-CG 3.63Å; F172-F235 HydrophobicContact CZ-CB 3.67Å; F172-F235 HydrophobicContact CZ-CD1 4.01Å; F172-F235 AromaticContact CZ-CD2 3.72Å; F172-F235 HydrophobicContact CZ-CD2 3.72Å; F172-F235 HydrophobicContact CZ-CE2 4.36Å; F172-F235 AromaticContact CZ-CG 3.51Å; F172-F235 HydrophobicContact CZ-CG 3.51Å; F172-I237 HydrophobicContact CB-CD1 3.9Å; F172-I237 HydrophobicContact CD1-CD1 3.47Å; F172-I237 VanDerWaalsContact CD1-CD1 3.47Å; F172-I237 HydrophobicContact CD2-CD1 4.01Å; F172-I237 HydrophobicContact CD2-CG1 4.4Å; F172-I237 HydrophobicContact CE1-CD1 3.94Å; F172-I237 HydrophobicContact CE2-CD1 4.43Å; F172-I237 HydrophobicContact CG-CD1 3.5Å; F172-I237 VanDerWaalsContact CG-CD1 3.5Å; F172-I237 HydrophobicContact CG-CG1 4.32Å; F172-I237 HydrophobicContact CZ-CD1 4.4Å
173A98.3Very high96.8Very high34 Ų3448.4 Ų48.428%0.28126%0.261SS..EExtended strand (participates in β ladder)trans-146.9147.5164.300000109.5A162 L163 V170A162-A173 CarbonylContact O-C 3.51Å; A162-A173 WeakPolarHBondContact O-CA 3.43Å; L163-A173 HydrophobicContact CB-CB 4.21Å; V170-A173 HydrophobicContact CG1-CB 4.25Å
174T98.6Very high96.8Very high7 Ų748.7 Ų48.74%0.04326%0.262CS..PPolyproline II helixtrans-71.4151174.953.20000111.1V154 N156 R161 A162 F172 F235V154-T174 HydrophobicContact CG1-CG2 3.6Å; N156-T174 HydrophobicContact CB-CG2 3.77Å; R161-T174 WeakPolarHBondContact CA-OG1 3.26Å; R161-T174 VanDerWaalsContact CG-OG1 3.32Å; R161-T174 WeakPolarHBondContact CG-OG1 3.43Å; A162-T174 HydrophobicContact CB-CG2 3.87Å; A162-T174 PolarHBondContact N-OG1 3.07Å; A162-T174 PolarHBondContact O-N 2.94Å; F172-T174 HydrophobicContact CE1-CG2 3.85Å; F172-T174 HydrophobicContact CZ-CG2 3.83Å; T174-F235 HydrophobicContact CG2-CD2 4.24Å; T174-F235 HydrophobicContact CG2-CE2 4.11Å
175E97.7Very high96.8Very high121 Ų12154.9 Ų54.957%0.56529%0.285SS*.PPolyproline II helixtrans-86.6128168.8-174.8174.383.800109.4N156 L181N156-E175 PolarHBondContact ND2-O 2.86Å; E175-L181 HydrophobicContact CG-CD1 4.3Å
176D98.3Very high96.9Very high22 Ų2258.3 Ų58.312%0.11831%0.308CS..PPolyproline II helixtrans-69.6136.2178.4-58.66.1000111D159 R161 K178 L181D159-D176 HydrophobicContact CB-CB 4.01Å; R161-D176 IonicContact CZ-OD1 2.72Å; R161-D176 IonicContact CZ-OD2 3.37Å; R161-D176 IonicContact NE-OD1 3.86Å; R161-D176 PolarHBondContact NE-OD1 2.99Å; R161-D176 IonicContact NE-OD2 2.68Å; R161-D176 VanDerWaalsContact NH2-CG 3.28Å; R161-D176 IonicContact NH2-OD1 3.43Å; R161-D176 PolarHBondContact NH2-OD1 2.89Å; R161-D176 IonicContact NH2-OD2 3.12Å; R161-D176 PolarHBondContact NH2-OD2 3.31Å; D176-K178 HydrophobicContact CB-CG 4.14Å; D176-K178 PolarHBondContact O-N 3.25Å; D176-L181 WeakPolarHBondContact O-CD1 3.22Å
177H98.5Very high97.1Very high2 Ų257.8 Ų57.81%0.00931%0.305CS..  trans-82.475.3179.3-64.7144.6000113.1N156 G158 S207 R208 D233N156-H177 PolarHBondContact O-CE1 3.38Å; G158-H177 PolarHBondContact N-ND1 3.16Å; G158-H177 VanDerWaalsContact N-ND1 3.14Å; G158-H177 PolarHBondContact O-N 3.01Å; H177-S207 PolarHBondContact O-N 3.35Å; H177-S207 PolarHBondContact O-OG 3.26Å; H177-R208 HydrophobicContact CB-CB 4Å; H177-R208 HydrophobicContact CB-CG 3.91Å; H177-R208 PolarHBondContact NE2-NH1 2.87Å; H177-R208 PolarHBondContact NE2-NH2 3.47Å; H177-D233 IonicContact NE2-OD1 3.46Å; H177-D233 IonicContact NE2-OD2 3.43Å; H177-D233 PolarHBondContact NE2-OD2 2.81Å
178K98Very high97.4Very high33 Ų3355.2 Ų55.214%0.14328%0.278CS..  trans-89.6138.5178.8-58.5-68.9-173.4177.80112.7D159 D176 Y180 L181D159-K178 HydrophobicContact CB-CD 4.07Å; D159-K178 VanDerWaalsContact CB-CE 3.47Å; D159-K178 VanDerWaalsContact CB-NZ 3.31Å; D159-K178 IonicContact OD2-NZ 3.82Å; D159-K178 PolarHBondContact OD2-NZ 2.94Å; D176-K178 HydrophobicContact CB-CG 4.14Å; D176-K178 PolarHBondContact O-N 3.25Å; K178-Y180 HydrophobicContact CB-CD1 3.77Å; K178-Y180 HydrophobicContact CB-CE1 3.34Å; K178-Y180 HydrophobicContact CB-CE2 4.28Å; K178-Y180 HydrophobicContact CB-CG 4.44Å; K178-Y180 HydrophobicContact CD-CE1 4.43Å; K178-Y180 HydrophobicContact CG-CE1 3.82Å; K178-Y180 PolarHBondContact O-N 3.02Å; K178-Y180 VanDerWaalsContact O-N 3.1Å; K178-L181 HydrophobicContact CB-CD1 4.43Å; K178-L181 HydrophobicContact CB-CG 4.3Å; K178-L181 WeakPolarHBondContact O-CB 3.26Å; K178-L181 PolarHBondContact O-N 2.85Å
179P98.2Very high97.7Very high0 Ų057.3 Ų57.30%028%0.284CS..THydrogen-bonded Turntrans-56.4-28.7-177.4-28.835.5000115.6L181 R185 I188 V195 D198 V200 A205P179-L181 VanDerWaalsContact C-N 3.28Å; P179-L181 PolarHBondContact O-N 3.27Å; P179-R185 WeakPolarHBondContact O-CB 3.08Å; P179-R185 PolarHBondContact O-N 2.98Å; P179-I188 HydrophobicContact CB-CD1 3.97Å; P179-V195 HydrophobicContact CB-CG1 3.94Å; P179-V195 HydrophobicContact CB-CG2 4.18Å; P179-V195 WeakPolarHBondContact O-CG2 3.42Å; P179-D198 WeakPolarHBondContact CB-O 3.37Å; P179-D198 WeakPolarHBondContact CD-O 3.41Å; P179-D198 VanDerWaalsContact CG-O 3.29Å; P179-D198 WeakPolarHBondContact CG-O 3.2Å; P179-V200 HydrophobicContact CB-CG2 4.04Å; P179-V200 HydrophobicContact CG-CG2 3.77Å; P179-A205 WeakPolarHBondContact CD-O 3.44Å
180Y96.7Very high97.9Very high113 Ų11355.2 Ų55.244%0.44329%0.285SS..THydrogen-bonded Turntrans-75.5-13.3-179.960.9-99.7000114K178 D198K178-Y180 HydrophobicContact CB-CD1 3.77Å; K178-Y180 HydrophobicContact CB-CE1 3.34Å; K178-Y180 HydrophobicContact CB-CE2 4.28Å; K178-Y180 HydrophobicContact CB-CG 4.44Å; K178-Y180 HydrophobicContact CD-CE1 4.43Å; K178-Y180 HydrophobicContact CG-CE1 3.82Å; K178-Y180 PolarHBondContact O-N 3.02Å; K178-Y180 VanDerWaalsContact O-N 3.1Å; Y180-D198 WeakPolarHBondContact CB-OD1 3.36Å; Y180-D198 HydrophobicContact CD1-CB 3.73Å; Y180-D198 HydrophobicContact CE1-CB 4.42Å
181L97.7Very high97.9Very high35 Ų3554 Ų5418%0.18328%0.279CS..SBendtrans-66.5142.7179.3-67.2177.7000111.1E175 D176 K178 P179 K183 E184 R185E175-L181 HydrophobicContact CG-CD1 4.3Å; D176-L181 WeakPolarHBondContact O-CD1 3.22Å; K178-L181 HydrophobicContact CB-CD1 4.43Å; K178-L181 HydrophobicContact CB-CG 4.3Å; K178-L181 WeakPolarHBondContact O-CB 3.26Å; K178-L181 PolarHBondContact O-N 2.85Å; P179-L181 VanDerWaalsContact C-N 3.28Å; P179-L181 PolarHBondContact O-N 3.27Å; L181-K183 PolarHBondContact O-N 2.88Å; L181-E184 HydrophobicContact CB-CB 4.48Å; L181-E184 HydrophobicContact CB-CG 4.15Å; L181-E184 PolarHBondContact O-N 3.35Å; L181-R185 VanDerWaalsContact O-CB 3.29Å; L181-R185 WeakPolarHBondContact O-CB 3.44Å; L181-R185 PolarHBondContact O-N 2.84Å
182P97.7Very high98Very high108 Ų10855 Ų5570%0.70130%0.297SS*.Hα-helixtrans-56-43.8-171.3-28.735.5000115.3C186P182-C186 VanDerWaalsContact O-CB 3.26Å; P182-C186 WeakPolarHBondContact O-CB 3.42Å; P182-C186 PolarHBondContact O-N 3.22Å
183K97.2Very high98Very high128 Ų12854 Ų5456%0.55730%0.297SS*.Hα-helixtrans-62.4-48.3178.7-176.2-172177.2-165.90111L181 C186 R187 D233L181-K183 PolarHBondContact O-N 2.88Å; K183-C186 PolarHBondContact O-N 3.04Å; K183-R187 PolarHBondContact O-N 3.48Å; K183-D233 IonicContact NZ-OD1 3.75Å; K183-D233 PolarHBondContact NZ-OD1 3.49Å
184E98.4Very high98Very high5 Ų554 Ų542%0.02330%0.295CS..Hα-helixtrans-67.6-46.8-178-52.2-52.9115.300111.3L181 C186 R187 I188 S207 R208L181-E184 HydrophobicContact CB-CB 4.48Å; L181-E184 HydrophobicContact CB-CG 4.15Å; L181-E184 PolarHBondContact O-N 3.35Å; E184-C186 VanDerWaalsContact C-N 3.3Å; E184-C186 PolarHBondContact O-N 3.03Å; E184-R187 PolarHBondContact O-N 3.27Å; E184-R187 IonicContact OE1-NH1 3.79Å; E184-R187 IonicContact OE2-CZ 3.5Å; E184-R187 VanDerWaalsContact OE2-CZ 3.24Å; E184-R187 IonicContact OE2-NH1 2.74Å; E184-R187 PolarHBondContact OE2-NH1 2.87Å; E184-R187 IonicContact OE2-NH2 3.31Å; E184-R187 PolarHBondContact OE2-NH2 2.98Å; E184-I188 WeakPolarHBondContact O-CD1 3.23Å; E184-I188 VanDerWaalsContact O-CG1 3.3Å; E184-I188 WeakPolarHBondContact O-CG1 3.44Å; E184-I188 PolarHBondContact O-N 2.81Å; E184-S207 WeakPolarHBondContact CG-OG 3.19Å; E184-S207 PolarHBondContact OE2-OG 2.81Å; E184-R208 IonicContact OE1-CZ 2.85Å; E184-R208 IonicContact OE1-NE 3.33Å; E184-R208 PolarHBondContact OE1-NE 3.18Å; E184-R208 IonicContact OE1-NH2 3.76Å; E184-R208 PolarHBondContact OE1-NH2 3.29Å; E184-R208 VanDerWaalsContact OE2-CG 3.29Å; E184-R208 WeakPolarHBondContact OE2-CG 3.17Å; E184-R208 IonicContact OE2-CZ 2.88Å; E184-R208 IonicContact OE2-NE 3.93Å; E184-R208 PolarHBondContact OE2-NE 3.23Å; E184-R208 IonicContact OE2-NH2 3.85Å
185R98.2Very high97.9Very high131 Ų13154.7 Ų54.749%0.49430%0.299SS..Hα-helixtrans-58.7-41.2176.4-175.6172.9-177.5154.43.4112.1P179 L181 I188 V189 V195P179-R185 WeakPolarHBondContact O-CB 3.08Å; P179-R185 PolarHBondContact O-N 2.98Å; L181-R185 VanDerWaalsContact O-CB 3.29Å; L181-R185 WeakPolarHBondContact O-CB 3.44Å; L181-R185 PolarHBondContact O-N 2.84Å; R185-I188 PolarHBondContact O-N 3.21Å; R185-V189 HydrophobicContact CG-CG2 4.44Å; R185-V189 VanDerWaalsContact O-CG2 3.31Å; R185-V189 WeakPolarHBondContact O-CG2 3.22Å; R185-V189 PolarHBondContact O-N 3.47Å; R185-V195 HydrophobicContact CB-CG2 4.29Å; R185-V195 HydrophobicContact CG-CB 4.48Å; R185-V195 HydrophobicContact CG-CG2 3.94Å
186C98.2Very high97.9Very high71 Ų7154 Ų5448%0.4830%0.297SS..Hα-helixtrans-59.9-49.6176.9-173.90000111P182 K183 E184 I188 V189 N190P182-C186 VanDerWaalsContact O-CB 3.26Å; P182-C186 WeakPolarHBondContact O-CB 3.42Å; P182-C186 PolarHBondContact O-N 3.22Å; K183-C186 PolarHBondContact O-N 3.04Å; E184-C186 VanDerWaalsContact C-N 3.3Å; E184-C186 PolarHBondContact O-N 3.03Å; C186-I188 PolarHBondContact O-N 2.81Å; C186-V189 PolarHBondContact O-N 3.37Å; C186-N190 WeakPolarHBondContact O-CB 3.33Å; C186-N190 PolarHBondContact O-N 3.24Å; C186-N190 PolarHBondContact O-ND2 2.93Å
187R98.5Very high97.7Very high30 Ų3060.5 Ų60.511%0.11333%0.33CS..Hα-helixtrans-57.1-50.8175.1-177.7-168.362.4-114.9-8.5111.5K183 E184 V189 N190 A191 S207 C224 Q226K183-R187 PolarHBondContact O-N 3.48Å; E184-R187 PolarHBondContact O-N 3.27Å; E184-R187 IonicContact OE1-NH1 3.79Å; E184-R187 IonicContact OE2-CZ 3.5Å; E184-R187 VanDerWaalsContact OE2-CZ 3.24Å; E184-R187 IonicContact OE2-NH1 2.74Å; E184-R187 PolarHBondContact OE2-NH1 2.87Å; E184-R187 IonicContact OE2-NH2 3.31Å; E184-R187 PolarHBondContact OE2-NH2 2.98Å; R187-V189 VanDerWaalsContact C-N 3.32Å; R187-V189 PolarHBondContact O-N 2.63Å; R187-N190 PolarHBondContact O-N 3.5Å; R187-A191 WeakPolarHBondContact O-CB 3.38Å; R187-A191 PolarHBondContact O-N 2.9Å; R187-S207 PolarHBondContact NH2-O 3.36Å; R187-C224 WeakPolarHBondContact CD-O 3.42Å; R187-Q226 WeakPolarHBondContact CD-O 3.23Å; R187-Q226 WeakPolarHBondContact CG-O 3.43Å; R187-Q226 PolarHBondContact NE-O 3.09Å
188I98.6Very high97.5Very high0 Ų064.9 Ų64.90%035%0.353CS..Hα-helixtrans-57.2-44.4-178-69.2158.6000111.5P179 E184 R185 C186 A191 G193 V195 V200 L227P179-I188 HydrophobicContact CB-CD1 3.97Å; E184-I188 WeakPolarHBondContact O-CD1 3.23Å; E184-I188 VanDerWaalsContact O-CG1 3.3Å; E184-I188 WeakPolarHBondContact O-CG1 3.44Å; E184-I188 PolarHBondContact O-N 2.81Å; R185-I188 PolarHBondContact O-N 3.21Å; C186-I188 PolarHBondContact O-N 2.81Å; I188-A191 PolarHBondContact O-N 2.81Å; I188-G193 WeakPolarHBondContact O-CA 3.4Å; I188-G193 PolarHBondContact O-N 2.96Å; I188-V195 HydrophobicContact CB-CG2 4.33Å; I188-V195 HydrophobicContact CD1-CG2 3.82Å; I188-V195 HydrophobicContact CG2-CG2 4.03Å; I188-V200 HydrophobicContact CD1-CG2 3.81Å; I188-V200 HydrophobicContact CG1-CG2 4.41Å; I188-V200 HydrophobicContact CG2-CG1 4.16Å; I188-L227 WeakPolarHBondContact CG1-O 3.42Å; I188-L227 HydrophobicContact CG2-CD2 4.17Å; I188-L227 WeakPolarHBondContact O-CD2 3.29Å
189V98.1Very high97.5Very high76 Ų7668.7 Ų68.746%0.46137%0.367SS..Hα-helixtrans-69.1-40.7179.1172.10000111.5R185 C186 R187 A191 G192R185-V189 HydrophobicContact CG-CG2 4.44Å; R185-V189 VanDerWaalsContact O-CG2 3.31Å; R185-V189 WeakPolarHBondContact O-CG2 3.22Å; R185-V189 PolarHBondContact O-N 3.47Å; C186-V189 PolarHBondContact O-N 3.37Å; R187-V189 VanDerWaalsContact C-N 3.32Å; R187-V189 PolarHBondContact O-N 2.63Å; V189-A191 VanDerWaalsContact C-N 3.25Å; V189-A191 PolarHBondContact O-N 3.37Å; V189-G192 PolarHBondContact O-N 3.45Å
190N97.9Very high97.5Very high122 Ų12268.7 Ų68.765%0.65237%0.367SS*.Hα-helixtrans-64.7-31.6176.7-69.3-14.7000112.2C186 R187 G192C186-N190 WeakPolarHBondContact O-CB 3.33Å; C186-N190 PolarHBondContact O-N 3.24Å; C186-N190 PolarHBondContact O-ND2 2.93Å; R187-N190 PolarHBondContact O-N 3.5Å; N190-G192 PolarHBondContact O-N 3.18Å
191A98.2Very high97.5Very high9 Ų966.3 Ų66.37%0.07436%0.362CS..THydrogen-bonded Turntrans-76.17171.700000114.2R187 I188 V189 G193 V218 L221 L227R187-A191 WeakPolarHBondContact O-CB 3.38Å; R187-A191 PolarHBondContact O-N 2.9Å; I188-A191 PolarHBondContact O-N 2.81Å; V189-A191 VanDerWaalsContact C-N 3.25Å; V189-A191 PolarHBondContact O-N 3.37Å; A191-G193 VanDerWaalsContact C-N 3.33Å; A191-V218 HydrophobicContact CB-CG2 4.43Å; A191-L221 HydrophobicContact CB-CD1 3.72Å; A191-L227 HydrophobicContact CB-CD2 3.69Å; A191-L227 HydrophobicContact CB-CG 4.07Å
192G97.7Very high97.4Very high72 Ų7266.4 Ų66.474%0.74237%0.372SS*.THydrogen-bonded Turntrans81.88.6177.500000114.6V189 N190V189-G192 PolarHBondContact O-N 3.45Å; N190-G192 PolarHBondContact O-N 3.18Å
193G97.8Very high97.3Very high14 Ų1464.7 Ų64.714%0.14436%0.362CS..  trans-93.2-168.6175.900000113.8I188 A191 N201I188-G193 WeakPolarHBondContact O-CA 3.4Å; I188-G193 PolarHBondContact O-N 2.96Å; A191-G193 VanDerWaalsContact C-N 3.33Å; G193-N201 WeakPolarHBondContact CA-OD1 3.29Å
194S97.6Very high97.2Very high34 Ų3459.7 Ų59.724%0.23834%0.341CS..  trans-146159.2178.361.30000111M196 N201S194-M196 WeakPolarHBondContact OG-CE 3.12Å; S194-N201 PolarHBondContact N-OD1 2.94Å; S194-N201 PolarHBondContact O-N 3.2Å; S194-N201 PolarHBondContact O-OD1 3.33Å; S194-N201 PolarHBondContact OG-OD1 3.47Å
195V97.7Very high97.1Very high22 Ų2261.1 Ų61.113%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-110.5112.2171.6-179.20000107.7P179 R185 I188 R199P179-V195 HydrophobicContact CB-CG1 3.94Å; P179-V195 HydrophobicContact CB-CG2 4.18Å; P179-V195 WeakPolarHBondContact O-CG2 3.42Å; R185-V195 HydrophobicContact CB-CG2 4.29Å; R185-V195 HydrophobicContact CG-CB 4.48Å; R185-V195 HydrophobicContact CG-CG2 3.94Å; I188-V195 HydrophobicContact CB-CG2 4.33Å; I188-V195 HydrophobicContact CD1-CG2 3.82Å; I188-V195 HydrophobicContact CG2-CG2 4.03Å; V195-R199 WeakPolarHBondContact CA-O 3.14Å
196M96Very high97.1Very high107 Ų10755.2 Ų55.253%0.52733%0.333SS..EExtended strand (participates in β ladder)trans-122.1121.4-178.4-57.3-170.6-172.500109S194 D198 R199S194-M196 WeakPolarHBondContact OG-CE 3.12Å; M196-D198 VanDerWaalsContact C-N 3.26Å; M196-D198 PolarHBondContact O-N 2.97Å; M196-R199 PolarHBondContact N-O 2.8Å; M196-R199 PolarHBondContact O-N 3.46Å
197I94.7Very high97.1Very high158 Ų15851.9 Ų51.981%0.8131%0.31SS*.THydrogen-bonded Turntrans49.453.1-177.9-47.7168.4000109.7R199I197-R199 PolarHBondContact O-N 2.82Å
198D95.5Very high97.1Very high94 Ų9450.5 Ų50.550%0.50331%0.305SS..THydrogen-bonded Turntrans61.711.8178.4-58.6-24.8000116.1P179 Y180 M196P179-D198 WeakPolarHBondContact CB-O 3.37Å; P179-D198 WeakPolarHBondContact CD-O 3.41Å; P179-D198 VanDerWaalsContact CG-O 3.29Å; P179-D198 WeakPolarHBondContact CG-O 3.2Å; Y180-D198 WeakPolarHBondContact CB-OD1 3.36Å; Y180-D198 HydrophobicContact CD1-CB 3.73Å; Y180-D198 HydrophobicContact CE1-CB 4.42Å; M196-D198 VanDerWaalsContact C-N 3.26Å; M196-D198 PolarHBondContact O-N 2.97Å
199R97.8Very high97.1Very high113 Ų11350.5 Ų50.543%0.42631%0.305SS..EExtended strand (participates in β ladder)trans-118.5143.9-178-67169.8179.2-84.1-9.2112.9V195 M196 I197 N201 G202 S203 L204 A205V195-R199 WeakPolarHBondContact CA-O 3.14Å; M196-R199 PolarHBondContact N-O 2.8Å; M196-R199 PolarHBondContact O-N 3.46Å; I197-R199 PolarHBondContact O-N 2.82Å; R199-N201 PolarHBondContact O-N 2.71Å; R199-G202 PolarHBondContact O-N 3.07Å; R199-S203 WeakPolarHBondContact CD-O 3.37Å; R199-S203 PolarHBondContact NH1-O 2.9Å; R199-L204 CarbonylContact C-O 3.54Å; R199-L204 WeakPolarHBondContact CA-O 3.47Å; R199-L204 WeakPolarHBondContact CB-O 3.14Å; R199-A205 HydrophobicContact CG-CB 4.37Å
200V97.3Very high97.2Very high0 Ų046.9 Ų46.90%028%0.283CS..EExtended strand (participates in β ladder)trans-63.7117.3171.4-171.50000108.8P179 I188 G202 S203 L204 V206 Y215 L227P179-V200 HydrophobicContact CB-CG2 4.04Å; P179-V200 HydrophobicContact CG-CG2 3.77Å; I188-V200 HydrophobicContact CD1-CG2 3.81Å; I188-V200 HydrophobicContact CG1-CG2 4.41Å; I188-V200 HydrophobicContact CG2-CG1 4.16Å; V200-G202 PolarHBondContact O-N 2.88Å; V200-S203 PolarHBondContact O-N 3.45Å; V200-L204 HydrophobicContact CB-CB 4.27Å; V200-L204 PolarHBondContact N-O 2.88Å; V200-L204 PolarHBondContact O-N 2.75Å; V200-V206 WeakPolarHBondContact CG2-O 3.49Å; V200-Y215 HydrophobicContact CG1-CD1 4.02Å; V200-Y215 HydrophobicContact CG1-CE1 4.13Å; V200-L227 HydrophobicContact CG1-CB 4.13Å
201N96.9Very high97.2Very high64 Ų6441.1 Ų41.134%0.34225%0.252SS..THydrogen-bonded Turntrans50.828.2-174.2-63.7-24.2000113.9G193 S194 R199 S203G193-N201 WeakPolarHBondContact CA-OD1 3.29Å; S194-N201 PolarHBondContact N-OD1 2.94Å; S194-N201 PolarHBondContact O-N 3.2Å; S194-N201 PolarHBondContact O-OD1 3.33Å; S194-N201 PolarHBondContact OG-OD1 3.47Å; R199-N201 PolarHBondContact O-N 2.71Å; N201-S203 PolarHBondContact O-N 2.9Å
202G95.5Very high97.1Very high37 Ų3740.9 Ų40.938%0.38125%0.249SC..THydrogen-bonded Turntrans75.84.5-177.600000115R199 V200R199-G202 PolarHBondContact O-N 3.07Å; V200-G202 PolarHBondContact O-N 2.88Å
203S95.5Very high97.1Very high71 Ų7138.4 Ų38.450%0.49722%0.218SC..THydrogen-bonded Turntrans-110.8-65.9-175.1-56.20000112.4R199 V200 N201 Y215R199-S203 WeakPolarHBondContact CD-O 3.37Å; R199-S203 PolarHBondContact NH1-O 2.9Å; V200-S203 PolarHBondContact O-N 3.45Å; N201-S203 PolarHBondContact O-N 2.9Å; S203-Y215 VanDerWaalsContact CB-OH 3.24Å; S203-Y215 WeakPolarHBondContact CB-OH 3.27Å
204L95.7Very high96.9Very high23 Ų2342.7 Ų42.712%0.1223%0.234CC..BIsolated β-bridgetrans-89.4128.8-168.8-168.366.3000111.9R199 V200 V206 Y215 V228R199-L204 CarbonylContact C-O 3.54Å; R199-L204 WeakPolarHBondContact CA-O 3.47Å; R199-L204 WeakPolarHBondContact CB-O 3.14Å; V200-L204 HydrophobicContact CB-CB 4.27Å; V200-L204 PolarHBondContact N-O 2.88Å; V200-L204 PolarHBondContact O-N 2.75Å; L204-V206 HydrophobicContact CD1-CG2 3.99Å; L204-V206 HydrophobicContact CD2-CG2 3.88Å; L204-V206 HydrophobicContact CG-CG2 3.74Å; L204-Y215 HydrophobicContact CB-CE2 4.43Å; L204-Y215 HydrophobicContact CD2-CD2 4.28Å; L204-Y215 HydrophobicContact CD2-CE2 4.28Å; L204-V228 HydrophobicContact CD2-CG2 3.46Å; L204-V228 VanDerWaalsContact CD2-CG2 3.46Å
205A96.5Very high96.9Very high35 Ų3542.3 Ų42.329%0.28923%0.227SC..SBendtrans-83.2-13.1-177.100000114.2P179 R199P179-A205 WeakPolarHBondContact CD-O 3.44Å; R199-A205 HydrophobicContact CG-CB 4.37Å
206V97.7Very high96.9Very high8 Ų841.4 Ų41.45%0.04822%0.222CC..  trans-103.5148.2175.1-65.90000110.5T141 D159 V200 L204 A209T141-V206 HydrophobicContact CG2-CG1 3.97Å; D159-V206 HydrophobicContact CB-CG1 4.47Å; D159-V206 VanDerWaalsContact CG-CG1 3.42Å; D159-V206 WeakPolarHBondContact OD1-CG1 3.07Å; D159-V206 VanDerWaalsContact OD2-CG1 3.31Å; D159-V206 WeakPolarHBondContact OD2-CG1 3.34Å; V200-V206 WeakPolarHBondContact CG2-O 3.49Å; L204-V206 HydrophobicContact CD1-CG2 3.99Å; L204-V206 HydrophobicContact CD2-CG2 3.88Å; L204-V206 HydrophobicContact CG-CG2 3.74Å; V206-A209 HydrophobicContact CG2-CB 4.27Å
207S98.3Very high96.8Very high0 Ų040.1 Ų40.10%022%0.223CC..SBendtrans-101.7-16176.367.50000113.2H177 E184 R187 V228 S229H177-S207 PolarHBondContact O-N 3.35Å; H177-S207 PolarHBondContact O-OG 3.26Å; E184-S207 WeakPolarHBondContact CG-OG 3.19Å; E184-S207 PolarHBondContact OE2-OG 2.81Å; R187-S207 PolarHBondContact NH2-O 3.36Å; S207-V228 WeakPolarHBondContact O-CA 3.4Å; S207-S229 PolarHBondContact O-N 3.37Å
208R98.8Very high96.9Very high2 Ų234.8 Ų34.81%0.00820%0.198CC..BIsolated β-bridgetrans-135.9136.2177.2-56.8-157.6-157.1162.418.7109.9L157 G158 H177 E184 S229 E231 D233L157-R208 HydrophobicContact CD1-CB 3.8Å; L157-R208 HydrophobicContact CG-CB 4.18Å; G158-R208 WeakPolarHBondContact CA-O 3.43Å; H177-R208 HydrophobicContact CB-CB 4Å; H177-R208 HydrophobicContact CB-CG 3.91Å; H177-R208 PolarHBondContact NE2-NH1 2.87Å; H177-R208 PolarHBondContact NE2-NH2 3.47Å; E184-R208 IonicContact OE1-CZ 2.85Å; E184-R208 IonicContact OE1-NE 3.33Å; E184-R208 PolarHBondContact OE1-NE 3.18Å; E184-R208 IonicContact OE1-NH2 3.76Å; E184-R208 PolarHBondContact OE1-NH2 3.29Å; E184-R208 VanDerWaalsContact OE2-CG 3.29Å; E184-R208 WeakPolarHBondContact OE2-CG 3.17Å; E184-R208 IonicContact OE2-CZ 2.88Å; E184-R208 IonicContact OE2-NE 3.93Å; E184-R208 PolarHBondContact OE2-NE 3.23Å; E184-R208 IonicContact OE2-NH2 3.85Å; R208-S229 CarbonylContact C-O 3.5Å; R208-S229 WeakPolarHBondContact CA-O 3.42Å; R208-S229 VanDerWaalsContact CB-O 3.24Å; R208-S229 WeakPolarHBondContact CB-O 3.29Å; R208-E231 WeakPolarHBondContact CD-O 3.38Å; R208-E231 PolarHBondContact NH1-O 2.86Å; R208-D233 IonicContact CZ-OD1 3.24Å; R208-D233 IonicContact NH1-OD1 2.68Å; R208-D233 PolarHBondContact NH1-OD1 3.32Å; R208-D233 IonicContact NH2-OD1 2.87Å; R208-D233 PolarHBondContact NH2-OD1 3.24Å; R208-D233 VanDerWaalsContact NH2-OD1 3.12Å; R208-D233 IonicContact NH2-OD2 3.9Å
209A98.8Very high97Very high0 Ų033.9 Ų33.90%021%0.211CC..  trans-168.1157.4-179.200000110.2S140 L157 V206 D212 K216 V228 S229S140-A209 WeakPolarHBondContact O-CA 3.45Å; L157-A209 VanDerWaalsContact CD2-C 3.46Å; V206-A209 HydrophobicContact CG2-CB 4.27Å; A209-D212 WeakPolarHBondContact CB-OD2 3.41Å; A209-K216 PolarHBondContact O-NZ 3.21Å; A209-V228 HydrophobicContact CB-CG1 3.99Å; A209-S229 PolarHBondContact N-O 2.88Å; A209-S229 VanDerWaalsContact N-O 3.1Å
210L98.7Very high96.9Very high0 Ų032.6 Ų32.60%023%0.233CC..EExtended strand (participates in β ladder)trans-76.2154.5159.5-64.6178.5000109.2V67 A71 F118 L121 D122 M125 G139 S140 V142 L157 P230V67-L210 HydrophobicContact CG1-CB 3.87Å; A71-L210 HydrophobicContact CB-CD1 3.72Å; F118-L210 HydrophobicContact CD1-CD2 4.44Å; L121-L210 HydrophobicContact CD2-CD1 3.82Å; D122-L210 HydrophobicContact CB-CD2 3.83Å; D122-L210 WeakPolarHBondContact OD1-CA 3.27Å; M125-L210 HydrophobicContact CE-CB 3.81Å; M125-L210 HydrophobicContact CE-CD1 4.08Å; M125-L210 HydrophobicContact CE-CD2 4.36Å; M125-L210 HydrophobicContact CE-CG 4.31Å; G139-L210 CarbonylContact C-O 3.48Å; G139-L210 WeakPolarHBondContact CA-O 3.37Å; S140-L210 PolarHBondContact N-O 2.78Å; S140-L210 PolarHBondContact O-N 2.86Å; V142-L210 HydrophobicContact CG2-CD1 3.57Å; V142-L210 HydrophobicContact CG2-CG 4.07Å; L157-L210 HydrophobicContact CD2-CD2 4.03Å; L157-L210 HydrophobicContact CD2-CG 3.74Å; L210-P230 HydrophobicContact CD2-CB 4.42Å
211G98Very high96.9Very high0 Ų035 Ų350%025%0.246CC..EExtended strand (participates in β ladder)trans75.3-140.3-177.300000111.9D122 Y213 K216D122-G211 PolarHBondContact OD1-N 2.91Å; G211-Y213 VanDerWaalsContact C-N 3.28Å; G211-Y213 PolarHBondContact O-N 3.22Å; G211-K216 WeakPolarHBondContact O-CD 3.36Å; G211-K216 WeakPolarHBondContact O-CE 3.44Å; G211-K216 PolarHBondContact O-NZ 2.9Å
212D97.3Very high96.9Very high4 Ų437.9 Ų37.92%0.02126%0.261CS..  trans5439.9179.4-65.8-44000113.7H62 S138 A209 E214 Y215 V228H62-D212 IonicContact CD2-OD1 3.33Å; H62-D212 IonicContact CE1-OD1 2.94Å; H62-D212 IonicContact CE1-OD2 3.23Å; H62-D212 PolarHBondContact CE1-OD2 3.46Å; H62-D212 VanDerWaalsContact CE1-OD2 3.22Å; H62-D212 IonicContact NE2-OD1 2.91Å; H62-D212 PolarHBondContact NE2-OD1 3.33Å; H62-D212 IonicContact NE2-OD2 3.5Å; H62-D212 PolarHBondContact NE2-OD2 2.94Å; S138-D212 PolarHBondContact O-N 2.93Å; A209-D212 WeakPolarHBondContact CB-OD2 3.41Å; D212-E214 PolarHBondContact O-N 3.47Å; D212-Y215 HydrophobicContact CB-CD2 4.1Å; D212-Y215 WeakPolarHBondContact O-CB 3.44Å; D212-Y215 PolarHBondContact O-N 2.99Å; D212-V228 HydrophobicContact CB-CG1 4.28Å
213Y96.6Very high96.9Very high20 Ų2038.6 Ų38.68%0.07826%0.263CS..G310 helixtrans-64-19.6-169.4-60.7-58.9000114.7D122 M125 R126 L131 G211 Y215 K216 S217D122-Y213 PolarHBondContact O-OH 3.02Å; M125-Y213 VanDerWaalsContact C-OH 3.29Å; M125-Y213 WeakPolarHBondContact CB-OH 3.46Å; R126-Y213 HydrophobicContact CB-CD1 4.03Å; R126-Y213 HydrophobicContact CB-CE1 3.53Å; R126-Y213 HydrophobicContact CB-CE2 4.33Å; R126-Y213 HydrophobicContact CG-CD1 3.77Å; R126-Y213 HydrophobicContact CG-CE1 3.82Å; R126-Y213 HydrophobicContact CG-CG 4.2Å; R126-Y213 PolarHBondContact N-OH 2.91Å; L131-Y213 WeakPolarHBondContact O-CE2 3.42Å; G211-Y213 VanDerWaalsContact C-N 3.28Å; G211-Y213 PolarHBondContact O-N 3.22Å; Y213-Y215 PolarHBondContact O-N 2.98Å; Y213-K216 HydrophobicContact CD1-CD 4.18Å; Y213-K216 PolarHBondContact O-N 3.4Å; Y213-S217 PolarHBondContact O-OG 3.3Å
214E94.7Very high97.1Very high105 Ų10536.5 Ų36.549%0.49125%0.248SC..G310 helixtrans-62.1-24170.672.4-178.4162.300112.5K137 D212K137-E214 IonicContact NZ-OE1 3.26Å; K137-E214 IonicContact NZ-OE2 2.74Å; K137-E214 PolarHBondContact NZ-OE2 3.08Å; D212-E214 PolarHBondContact O-N 3.47Å
215Y97.2Very high97.2Very high25 Ų2539.9 Ų39.910%0.09826%0.263CS..G310 helixtrans-95.4-0.3175.7-63.9-85.5000113.7V200 S203 L204 D212 Y213 L227 V228V200-Y215 HydrophobicContact CG1-CD1 4.02Å; V200-Y215 HydrophobicContact CG1-CE1 4.13Å; S203-Y215 VanDerWaalsContact CB-OH 3.24Å; S203-Y215 WeakPolarHBondContact CB-OH 3.27Å; L204-Y215 HydrophobicContact CB-CE2 4.43Å; L204-Y215 HydrophobicContact CD2-CD2 4.28Å; L204-Y215 HydrophobicContact CD2-CE2 4.28Å; D212-Y215 HydrophobicContact CB-CD2 4.1Å; D212-Y215 WeakPolarHBondContact O-CB 3.44Å; D212-Y215 PolarHBondContact O-N 2.99Å; Y213-Y215 PolarHBondContact O-N 2.98Å; Y215-L227 HydrophobicContact CD1-CB 4.29Å; Y215-L227 HydrophobicContact CD1-CD1 4.13Å; Y215-L227 WeakPolarHBondContact O-CB 3.29Å; Y215-L227 PolarHBondContact O-N 3.26Å; Y215-V228 HydrophobicContact CD1-CG2 4.29Å; Y215-V228 HydrophobicContact CD2-CG2 4.36Å; Y215-V228 HydrophobicContact CG-CG2 3.82Å
216K97.1Very high97.3Very high4 Ų438.6 Ų38.62%0.01725%0.251CS..SBendtrans-119.830.7-173.9-62.6178.7179.3169.90114D122 R126 A209 G211 Y213 Q226 V228D122-K216 IonicContact OD1-NZ 2.88Å; D122-K216 PolarHBondContact OD1-NZ 3.28Å; D122-K216 IonicContact OD2-NZ 2.79Å; D122-K216 PolarHBondContact OD2-NZ 3.34Å; R126-K216 VanDerWaalsContact CZ-O 3.27Å; R126-K216 PolarHBondContact NH1-O 3.23Å; R126-K216 PolarHBondContact NH2-O 3.1Å; A209-K216 PolarHBondContact O-NZ 3.21Å; G211-K216 WeakPolarHBondContact O-CD 3.36Å; G211-K216 WeakPolarHBondContact O-CE 3.44Å; G211-K216 PolarHBondContact O-NZ 2.9Å; Y213-K216 HydrophobicContact CD1-CD 4.18Å; Y213-K216 PolarHBondContact O-N 3.4Å; K216-Q226 HydrophobicContact CB-CB 4.29Å; K216-Q226 HydrophobicContact CB-CG 4.06Å; K216-Q226 HydrophobicContact CG-CB 4.11Å; K216-Q226 HydrophobicContact CG-CG 4.33Å; K216-V228 VanDerWaalsContact CE-O 3.25Å; K216-V228 WeakPolarHBondContact CE-O 3.21Å; K216-V228 WeakPolarHBondContact CG-O 3.5Å
217S95Very high97.3Very high79 Ų7939 Ų3955%0.55225%0.253SS*.  trans-124.121.4-172.8-61.20000113.8R126 Y213 G219 Q226R126-S217 PolarHBondContact NH2-OG 2.95Å; R126-S217 VanDerWaalsContact NH2-OG 3.11Å; Y213-S217 PolarHBondContact O-OG 3.3Å; S217-G219 PolarHBondContact O-N 2.82Å; S217-Q226 VanDerWaalsContact N-OE1 3.17Å
218V96.8Very high97.3Very high47 Ų4739 Ų3929%0.28525%0.253SS..  trans-75.7117.7175-175.50000109.1A191 L221 Q226 L227A191-V218 HydrophobicContact CB-CG2 4.43Å; V218-L221 HydrophobicContact CB-CD1 3.98Å; V218-L221 HydrophobicContact CG1-CD1 3.58Å; V218-L221 HydrophobicContact CG1-CG 4.08Å; V218-Q226 PolarHBondContact O-NE2 3.19Å; V218-L227 HydrophobicContact CG2-CG 4.32Å
219G96.2Very high97.3Very high75 Ų7538.9 Ų38.977%0.77325%0.253SS*.THydrogen-bonded Turntrans-65.7136.9-177.700000112.8S217S217-G219 PolarHBondContact O-N 2.82Å
220G96.2Very high97.3Very high86 Ų8638.9 Ų38.989%0.88725%0.253SS*.THydrogen-bonded Turntrans85.12.6177.500000115.3
221L97.2Very high97.3Very high51 Ų5141.2 Ų41.227%0.26726%0.264SS..  trans-109.9143.5175.7-62.2-175.6000110.8A191 V218 E225 Q226A191-L221 HydrophobicContact CB-CD1 3.72Å; V218-L221 HydrophobicContact CB-CD1 3.98Å; V218-L221 HydrophobicContact CG1-CD1 3.58Å; V218-L221 HydrophobicContact CG1-CG 4.08Å; L221-E225 HydrophobicContact CB-CB 4.02Å; L221-E225 HydrophobicContact CD2-CB 4.45Å; L221-Q226 PolarHBondContact O-NE2 2.82Å
222D96.7Very high97.3Very high123 Ų12341.5 Ų41.566%0.65827%0.266SS*.  trans-72168.8174.5-72.4-26.4000111.4C224 E225 Q226D222-C224 VanDerWaalsContact C-N 3.25Å; D222-C224 PolarHBondContact O-N 3.32Å; D222-E225 HydrophobicContact CB-CG 4.43Å; D222-E225 PolarHBondContact N-OE2 3.16Å; D222-E225 VanDerWaalsContact N-OE2 3.11Å; D222-E225 PolarHBondContact O-N 2.87Å; D222-Q226 WeakPolarHBondContact O-CG 3.24Å; D222-Q226 PolarHBondContact O-NE2 3.44Å
223A97Very high97.4Very high53 Ų5342.9 Ų42.944%0.43827%0.273SS..G310 helixtrans-55.3-38.8-176.900000113.1E225 Q226 P230A223-E225 VanDerWaalsContact C-N 3.31Å; A223-E225 PolarHBondContact O-N 3.48Å; A223-Q226 WeakPolarHBondContact O-CG 3.42Å; A223-P230 HydrophobicContact CB-CG 4.33Å; A223-P230 WeakPolarHBondContact O-CD 3.29Å
224C97.8Very high97.5Very high27 Ų2743.7 Ų43.718%0.18228%0.278CS..G310 helixtrans-79.7-11.2-178.4-52.50000113.8R187 D222 S229 E231R187-C224 WeakPolarHBondContact CD-O 3.42Å; D222-C224 VanDerWaalsContact C-N 3.25Å; D222-C224 PolarHBondContact O-N 3.32Å; C224-S229 WeakPolarHBondContact CA-OG 3.37Å; C224-S229 PolarHBondContact O-OG 3.47Å; C224-E231 HydrophobicContact CB-CB 4.17Å
225E98.2Very high97.7Very high93 Ų9341.6 Ų41.644%0.43527%0.268SS..G310 helixtrans-100.1-1.2-176.6-62.9-176.2127.700112.9L221 D222 A223L221-E225 HydrophobicContact CB-CB 4.02Å; L221-E225 HydrophobicContact CD2-CB 4.45Å; D222-E225 HydrophobicContact CB-CG 4.43Å; D222-E225 PolarHBondContact N-OE2 3.16Å; D222-E225 VanDerWaalsContact N-OE2 3.11Å; D222-E225 PolarHBondContact O-N 2.87Å; A223-E225 VanDerWaalsContact C-N 3.31Å; A223-E225 PolarHBondContact O-N 3.48Å
226Q98.5Very high97.7Very high8 Ų843.1 Ų43.14%0.03728%0.28CS..SBendtrans-66.1170.9178.3-62.3-61.8-40.600112.7R187 K216 S217 V218 L221 D222 A223 V228R187-Q226 WeakPolarHBondContact CD-O 3.23Å; R187-Q226 WeakPolarHBondContact CG-O 3.43Å; R187-Q226 PolarHBondContact NE-O 3.09Å; K216-Q226 HydrophobicContact CB-CB 4.29Å; K216-Q226 HydrophobicContact CB-CG 4.06Å; K216-Q226 HydrophobicContact CG-CB 4.11Å; K216-Q226 HydrophobicContact CG-CG 4.33Å; S217-Q226 VanDerWaalsContact N-OE1 3.17Å; V218-Q226 PolarHBondContact O-NE2 3.19Å; L221-Q226 PolarHBondContact O-NE2 2.82Å; D222-Q226 WeakPolarHBondContact O-CG 3.24Å; D222-Q226 PolarHBondContact O-NE2 3.44Å; A223-Q226 WeakPolarHBondContact O-CG 3.42Å; Q226-V228 PolarHBondContact O-N 3.04Å
227L98.3Very high97.7Very high16 Ų1644 Ų448%0.08428%0.284CS..SBendtrans-56.9-43176.4-62.6169.7000111I188 A191 V200 Y215 V218I188-L227 WeakPolarHBondContact CG1-O 3.42Å; I188-L227 HydrophobicContact CG2-CD2 4.17Å; I188-L227 WeakPolarHBondContact O-CD2 3.29Å; A191-L227 HydrophobicContact CB-CD2 3.69Å; A191-L227 HydrophobicContact CB-CG 4.07Å; V200-L227 HydrophobicContact CG1-CB 4.13Å; Y215-L227 HydrophobicContact CD1-CB 4.29Å; Y215-L227 HydrophobicContact CD1-CD1 4.13Å; Y215-L227 WeakPolarHBondContact O-CB 3.29Å; Y215-L227 PolarHBondContact O-N 3.26Å; V218-L227 HydrophobicContact CG2-CG 4.32Å
228V98.5Very high97.6Very high0 Ų047.6 Ų47.60%029%0.292CS..SBendtrans-113.3122171.6177.20000108.8L204 S207 A209 D212 Y215 K216 Q226L204-V228 HydrophobicContact CD2-CG2 3.46Å; L204-V228 VanDerWaalsContact CD2-CG2 3.46Å; S207-V228 WeakPolarHBondContact O-CA 3.4Å; A209-V228 HydrophobicContact CB-CG1 3.99Å; D212-V228 HydrophobicContact CB-CG1 4.28Å; Y215-V228 HydrophobicContact CD1-CG2 4.29Å; Y215-V228 HydrophobicContact CD2-CG2 4.36Å; Y215-V228 HydrophobicContact CG-CG2 3.82Å; K216-V228 VanDerWaalsContact CE-O 3.25Å; K216-V228 WeakPolarHBondContact CE-O 3.21Å; K216-V228 WeakPolarHBondContact CG-O 3.5Å; Q226-V228 PolarHBondContact O-N 3.04Å
229S98.6Very high97.4Very high0 Ų048.1 Ų48.10%029%0.289CS..BIsolated β-bridgetrans-94.2137.1-178.7176.40000111.6S207 R208 A209 C224 E231S207-S229 PolarHBondContact O-N 3.37Å; R208-S229 CarbonylContact C-O 3.5Å; R208-S229 WeakPolarHBondContact CA-O 3.42Å; R208-S229 VanDerWaalsContact CB-O 3.24Å; R208-S229 WeakPolarHBondContact CB-O 3.29Å; A209-S229 PolarHBondContact N-O 2.88Å; A209-S229 VanDerWaalsContact N-O 3.1Å; C224-S229 WeakPolarHBondContact CA-OG 3.37Å; C224-S229 PolarHBondContact O-OG 3.47Å; S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 WeakPolarHBondContact OG-CB 3.37Å; S229-E231 PolarHBondContact OG-N 2.91Å; S229-E231 VanDerWaalsContact OG-N 3.09Å
230P98.6Very high96.9Very high1 Ų145.7 Ų45.71%0.00626%0.262CS..  trans-855.5168.934.9-32.9000113.2L119 D122 L157 L210 A223 P232L119-P230 HydrophobicContact CD2-CB 4.44Å; L119-P230 HydrophobicContact CD2-CG 3.9Å; D122-P230 HydrophobicContact CB-CB 3.79Å; D122-P230 HydrophobicContact CB-CG 4.4Å; D122-P230 WeakPolarHBondContact OD2-CB 3.42Å; L157-P230 WeakPolarHBondContact CD1-O 3.36Å; L210-P230 HydrophobicContact CD2-CB 4.42Å; A223-P230 HydrophobicContact CB-CG 4.33Å; A223-P230 WeakPolarHBondContact O-CD 3.29Å; P230-P232 WeakPolarHBondContact O-CD 3.24Å
231E98.6Very high96.1Very high48 Ų4846.3 Ų46.322%0.22425%0.25CC..PPolyproline II helixtrans-82.8118.2-177.2-171.5170.2-128.500112.4R115 L157 R208 C224 S229R115-E231 IonicContact CZ-OE1 2.75Å; R115-E231 VanDerWaalsContact CZ-OE1 3.23Å; R115-E231 IonicContact NE-OE1 3.41Å; R115-E231 PolarHBondContact NE-OE1 3.49Å; R115-E231 IonicContact NH2-OE1 2.96Å; R115-E231 PolarHBondContact NH2-OE1 2.75Å; L157-E231 VanDerWaalsContact CD1-O 3.26Å; L157-E231 WeakPolarHBondContact CD1-O 3.45Å; R208-E231 WeakPolarHBondContact CD-O 3.38Å; R208-E231 PolarHBondContact NH1-O 2.86Å; C224-E231 HydrophobicContact CB-CB 4.17Å; S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 WeakPolarHBondContact OG-CB 3.37Å; S229-E231 PolarHBondContact OG-N 2.91Å; S229-E231 VanDerWaalsContact OG-N 3.09Å
232P98.6Very high95.1Very high7 Ų750.8 Ų50.85%0.04527%0.27CS..PPolyproline II helixtrans-75.8151.1177.432.4-35.7000111.4F118 A155 N156 L157 P230 L234F118-P232 HydrophobicContact CB-CG 4.04Å; F118-P232 HydrophobicContact CD1-CB 3.93Å; F118-P232 HydrophobicContact CD1-CG 3.85Å; F118-P232 HydrophobicContact CD2-CG 3.95Å; F118-P232 HydrophobicContact CE1-CB 3.91Å; F118-P232 HydrophobicContact CE1-CG 4.26Å; F118-P232 HydrophobicContact CE2-CG 4.34Å; F118-P232 HydrophobicContact CG-CB 4.25Å; F118-P232 HydrophobicContact CG-CG 3.68Å; F118-P232 HydrophobicContact CZ-CB 4.21Å; F118-P232 HydrophobicContact CZ-CG 4.48Å; A155-P232 HydrophobicContact CB-CB 4.15Å; N156-P232 CarbonylContact O-C 3.41Å; N156-P232 WeakPolarHBondContact O-CA 3.39Å; N156-P232 WeakPolarHBondContact O-CB 3.26Å; L157-P232 HydrophobicContact CB-CB 4.34Å; L157-P232 HydrophobicContact CD1-CB 4.47Å; P230-P232 WeakPolarHBondContact O-CD 3.24Å; P232-L234 HydrophobicContact CG-CD2 4.25Å; P232-L234 HydrophobicContact CG-CG 4.33Å
233D98.5Very high94.3Very high33 Ų3349.4 Ų49.418%0.17627%0.268CS..EExtended strand (participates in β ladder)trans-80.4135.8159.2-81.23.7000108.4A155 N156 H177 K183 R208 F235A155-D233 WeakPolarHBondContact CA-O 3.34Å; N156-D233 PolarHBondContact N-O 2.99Å; N156-D233 PolarHBondContact O-N 2.65Å; H177-D233 IonicContact NE2-OD1 3.46Å; H177-D233 IonicContact NE2-OD2 3.43Å; H177-D233 PolarHBondContact NE2-OD2 2.81Å; K183-D233 IonicContact NZ-OD1 3.75Å; K183-D233 PolarHBondContact NZ-OD1 3.49Å; R208-D233 IonicContact CZ-OD1 3.24Å; R208-D233 IonicContact NH1-OD1 2.68Å; R208-D233 PolarHBondContact NH1-OD1 3.32Å; R208-D233 IonicContact NH2-OD1 2.87Å; R208-D233 PolarHBondContact NH2-OD1 3.24Å; R208-D233 VanDerWaalsContact NH2-OD1 3.12Å; R208-D233 IonicContact NH2-OD2 3.9Å; D233-F235 HydrophobicContact CB-CE2 3.78Å; D233-F235 HydrophobicContact CB-CZ 3.93Å
234L98.5Very high93.8Very high36 Ų3650.6 Ų50.619%0.18827%0.267CS..EExtended strand (participates in β ladder)trans-120.5130.8-171.3-67166.2000111.2R111 L114 R115 V154 A155 P232R111-L234 HydrophobicContact CG-CB 4.05Å; R111-L234 HydrophobicContact CG-CD1 3.98Å; R111-L234 VanDerWaalsContact O-CD1 3.32Å; R111-L234 WeakPolarHBondContact O-CD1 3.36Å; L114-L234 HydrophobicContact CB-CD2 3.87Å; L114-L234 HydrophobicContact CD1-CD2 4.37Å; R115-L234 HydrophobicContact CB-CD1 3.69Å; R115-L234 HydrophobicContact CG-CD1 4.38Å; V154-L234 WeakPolarHBondContact O-CA 3.4Å; A155-L234 HydrophobicContact CB-CD2 3.5Å; A155-L234 VanDerWaalsContact CB-CD2 3.5Å; P232-L234 HydrophobicContact CG-CD2 4.25Å; P232-L234 HydrophobicContact CG-CG 4.33Å
235F98.5Very high93.2Very high62 Ų6249.5 Ų49.527%0.27226%0.259SS..EExtended strand (participates in β ladder)trans-129.2141.8-177.8-51.6-88.5000110F153 V154 F172 T174 D233F153-F235 CarbonylContact C-O 3.55Å; F153-F235 WeakPolarHBondContact CA-O 3.18Å; V154-F235 HydrophobicContact CB-CB 4.37Å; V154-F235 PolarHBondContact N-O 3.14Å; V154-F235 PolarHBondContact O-N 2.95Å; F172-F235 HydrophobicContact CE2-CB 3.78Å; F172-F235 AromaticContact CE2-CD1 3.68Å; F172-F235 HydrophobicContact CE2-CD1 3.68Å; F172-F235 HydrophobicContact CE2-CD2 4.26Å; F172-F235 HydrophobicContact CE2-CE1 4.32Å; F172-F235 AromaticContact CE2-CG 3.63Å; F172-F235 HydrophobicContact CE2-CG 3.63Å; F172-F235 HydrophobicContact CZ-CB 3.67Å; F172-F235 HydrophobicContact CZ-CD1 4.01Å; F172-F235 AromaticContact CZ-CD2 3.72Å; F172-F235 HydrophobicContact CZ-CD2 3.72Å; F172-F235 HydrophobicContact CZ-CE2 4.36Å; F172-F235 AromaticContact CZ-CG 3.51Å; F172-F235 HydrophobicContact CZ-CG 3.51Å; T174-F235 HydrophobicContact CG2-CD2 4.24Å; T174-F235 HydrophobicContact CG2-CE2 4.11Å; D233-F235 HydrophobicContact CB-CE2 3.78Å; D233-F235 HydrophobicContact CB-CZ 3.93Å
236V97.9Very high92.9Very high57 Ų5746.1 Ų46.135%0.34524%0.243SC..EExtended strand (participates in β ladder)trans-121.5121.2174.3-172.80000107.9V107 H151 F153V107-V236 HydrophobicContact CG1-CB 4.43Å; V107-V236 HydrophobicContact CG1-CG1 3.86Å; V107-V236 HydrophobicContact CG1-CG2 4.03Å; H151-V236 HydrophobicContact CB-CG1 4.25Å; F153-V236 HydrophobicContact CD1-CB 4.45Å; F153-V236 HydrophobicContact CD1-CG1 4.18Å; F153-V236 HydrophobicContact CD1-CG2 3.69Å; F153-V236 HydrophobicContact CE1-CB 4.5Å; F153-V236 HydrophobicContact CE1-CG1 3.92Å; F153-V236 HydrophobicContact CE1-CG2 3.79Å; F153-V236 HydrophobicContact CZ-CG1 4.3Å
237I96.4Very high92.8Very high22 Ų2245.8 Ų45.811%0.11324%0.241CC..EExtended strand (participates in β ladder)trans-112.9120.3179.6-54.7166.1000107H151 I152 V154 V164 F172H151-I237 CarbonylContact C-O 3.45Å; H151-I237 VanDerWaalsContact CA-O 3.29Å; H151-I237 WeakPolarHBondContact CA-O 3.49Å; I152-I237 HydrophobicContact CB-CB 4.32Å; I152-I237 PolarHBondContact N-O 3.17Å; I152-I237 PolarHBondContact O-N 3.1Å; V154-I237 HydrophobicContact CG2-CD1 4.21Å; V164-I237 HydrophobicContact CG2-CD1 3.75Å; F172-I237 HydrophobicContact CB-CD1 3.9Å; F172-I237 HydrophobicContact CD1-CD1 3.47Å; F172-I237 VanDerWaalsContact CD1-CD1 3.47Å; F172-I237 HydrophobicContact CD2-CD1 4.01Å; F172-I237 HydrophobicContact CD2-CG1 4.4Å; F172-I237 HydrophobicContact CE1-CD1 3.94Å; F172-I237 HydrophobicContact CE2-CD1 4.43Å; F172-I237 HydrophobicContact CG-CD1 3.5Å; F172-I237 VanDerWaalsContact CG-CD1 3.5Å; F172-I237 HydrophobicContact CG-CG1 4.32Å; F172-I237 HydrophobicContact CZ-CD1 4.4Å
238E94.3Very high92.8Very high154 Ų15445 Ų4572%0.7224%0.237SC*.EExtended strand (participates in β ladder)trans-67133.5169.8-68.4-178-173.700109.4A240E238-A240 PolarHBondContact O-N 3.44Å
239R92.7Very high92.8Very high59 Ų5945 Ų4522%0.22324%0.237CC..PPolyproline II helixtrans-68128.3-179.4-70.8-171.867.2-153.3-2.8110.2T148 P149 G150 I152 E245T148-R239 WeakPolarHBondContact O-CD 3.19Å; P149-R239 PolarHBondContact O-NH1 3.1Å; G150-R239 PolarHBondContact O-N 2.81Å; I152-R239 HydrophobicContact CG1-CG 4.02Å; R239-E245 WeakPolarHBondContact CA-OE1 3.31Å; R239-E245 IonicContact CZ-OE2 3.47Å; R239-E245 IonicContact NE-OE1 3.37Å; R239-E245 IonicContact NE-OE2 3.42Å; R239-E245 PolarHBondContact NE-OE2 2.84Å; R239-E245 IonicContact NH2-OE2 2.66Å; R239-E245 PolarHBondContact NH2-OE2 2.92Å
240A85.1Confident92.8Very high24 Ų2445 Ų4520%0.19824%0.237CC..PPolyproline II helixtrans-72.8147.9179.300000110.3E238 N244 E245E238-A240 PolarHBondContact O-N 3.44Å; A240-N244 HydrophobicContact CB-CB 3.99Å; A240-E245 HydrophobicContact CB-CB 4.1Å
241P79.8Confident92.8Very high98 Ų9845 Ų4564%0.63624%0.237SC*.PPolyproline II helixtrans-61.9146173.126.8-34.1000110.3N244P241-N244 WeakPolarHBondContact O-CB 3.37Å; P241-N244 PolarHBondContact O-N 2.99Å; P241-N244 PolarHBondContact O-ND2 2.84Å
242E75.9Confident92.8Very high145 Ų14542.7 Ų42.768%0.67823%0.226SC*.THydrogen-bonded Turntrans-56.1140.9172.7-69.2177.8-159.300110.8P306E242-P306 HydrophobicContact CG-CB 3.87Å; E242-P306 VanDerWaalsContact OE1-CB 3.25Å; E242-P306 WeakPolarHBondContact OE1-CB 3.18Å
243P80.3Confident92.8Very high95 Ų9543.3 Ų43.362%0.61723%0.229SC*.THydrogen-bonded Turncis-97.823.73.939.1-35.8000113.7E245P243-E245 PolarHBondContact O-N 3.23Å
244N85Confident92.7Very high78 Ų7841.8 Ų41.842%0.41722%0.221SC..SBendtrans-77.7-22.3-165.7-64.8-40.2000114.5Q166 G167 A240 P241Q166-N244 CarbonylContact C-O 3.52Å; Q166-N244 WeakPolarHBondContact CA-O 3.26Å; Q166-N244 VanDerWaalsContact CB-O 3.32Å; Q166-N244 WeakPolarHBondContact CB-O 3.44Å; G167-N244 PolarHBondContact N-O 2.93Å; A240-N244 HydrophobicContact CB-CB 3.99Å; P241-N244 WeakPolarHBondContact O-CB 3.37Å; P241-N244 PolarHBondContact O-N 2.99Å; P241-N244 PolarHBondContact O-ND2 2.84Å
245E85.3Confident92.7Very high4 Ų440 Ų402%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-95.2104.9-179-177.3177.5-98.100111I152 R239 A240 P243 L305 G307I152-E245 WeakPolarHBondContact CD1-OE1 3.26Å; R239-E245 WeakPolarHBondContact CA-OE1 3.31Å; R239-E245 IonicContact CZ-OE2 3.47Å; R239-E245 IonicContact NE-OE1 3.37Å; R239-E245 IonicContact NE-OE2 3.42Å; R239-E245 PolarHBondContact NE-OE2 2.84Å; R239-E245 IonicContact NH2-OE2 2.66Å; R239-E245 PolarHBondContact NH2-OE2 2.92Å; A240-E245 HydrophobicContact CB-CB 4.1Å; P243-E245 PolarHBondContact O-N 3.23Å; E245-L305 HydrophobicContact CG-CB 3.83Å; E245-L305 HydrophobicContact CG-CD1 3.29Å; E245-L305 HydrophobicContact CG-CG 4.07Å; E245-L305 WeakPolarHBondContact O-CB 3.44Å; E245-G307 CarbonylContact O-C 3.52Å; E245-G307 WeakPolarHBondContact O-CA 3.47Å; E245-G307 PolarHBondContact O-N 3.15Å
246E91.7Very high92.7Very high22 Ų2237.6 Ų37.610%0.10320%0.201CC..EExtended strand (participates in β ladder)trans-93.7-58.2-167.7-68.1174.9115.800112.6C165 G167 G168 L269 L305 A308C165-E246 HydrophobicContact CB-CB 4.46Å; C165-E246 PolarHBondContact O-N 2.92Å; C165-E246 PolarHBondContact SG-OE2 3.49Å; G167-E246 PolarHBondContact N-OE2 2.9Å; G168-E246 VanDerWaalsContact CA-OE2 3.29Å; G168-E246 WeakPolarHBondContact CA-OE2 3.27Å; G168-E246 PolarHBondContact N-OE2 3.44Å; E246-L269 HydrophobicContact CB-CD2 4.36Å; E246-L269 WeakPolarHBondContact OE1-CD2 3.25Å; E246-L305 PolarHBondContact O-N 3.39Å; E246-A308 WeakPolarHBondContact O-CA 3.46Å; E246-A308 VanDerWaalsContact O-CB 3.25Å; E246-A308 WeakPolarHBondContact O-CB 3.1Å; E246-A308 PolarHBondContact O-N 3.37Å
247F97.5Very high92.6Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-157160.1178.965.9-91.3000112.9L163 C165 L249 C265 I268 L269 L272 L302 V303L163-F247 HydrophobicContact CD1-CD2 4.46Å; L163-F247 HydrophobicContact CD1-CE2 3.67Å; L163-F247 HydrophobicContact CD1-CZ 4.41Å; C165-F247 HydrophobicContact CB-CD1 3.59Å; C165-F247 HydrophobicContact CB-CD2 4.11Å; C165-F247 HydrophobicContact CB-CE1 3.2Å; C165-F247 HydrophobicContact CB-CE2 3.79Å; C165-F247 HydrophobicContact CB-CG 4.01Å; C165-F247 HydrophobicContact CB-CZ 3.31Å; C165-F247 PolarHBondContact N-O 3.36Å; C165-F247 WeakPolarHBondContact SG-CE1 3.38Å; F247-L249 HydrophobicContact CD2-CB 4.38Å; F247-L249 HydrophobicContact CE2-CB 4.36Å; F247-C265 HydrophobicContact CZ-CB 4.4Å; F247-I268 HydrophobicContact CD1-CG2 3.93Å; F247-I268 HydrophobicContact CD2-CD1 4.49Å; F247-I268 HydrophobicContact CD2-CG2 4.12Å; F247-I268 HydrophobicContact CE1-CB 4.19Å; F247-I268 HydrophobicContact CE1-CG2 3.73Å; F247-I268 HydrophobicContact CE2-CB 4.23Å; F247-I268 HydrophobicContact CE2-CD1 3.74Å; F247-I268 HydrophobicContact CE2-CG2 3.91Å; F247-I268 HydrophobicContact CG-CG2 4.13Å; F247-I268 HydrophobicContact CZ-CB 3.86Å; F247-I268 HydrophobicContact CZ-CD1 4.12Å; F247-I268 HydrophobicContact CZ-CG2 3.72Å; F247-L269 HydrophobicContact CD1-CD2 4.14Å; F247-L269 HydrophobicContact CE1-CD2 3.68Å; F247-L269 HydrophobicContact CE1-CG 3.85Å; F247-L272 HydrophobicContact CD1-CD1 4Å; F247-L302 HydrophobicContact CB-CD1 4.06Å; F247-L302 HydrophobicContact CD2-CD1 3.69Å; F247-L302 HydrophobicContact CE2-CD1 4.45Å; F247-L302 HydrophobicContact CG-CD1 4.05Å; F247-V303 CarbonylContact C-O 3.53Å; F247-V303 WeakPolarHBondContact CA-O 3Å; F247-V303 VanDerWaalsContact CB-O 3.28Å; F247-V303 WeakPolarHBondContact CB-O 3.38Å
248L98.1Very high92.6Very high0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-112.9140.2167163.177.1000108.1A145 I147 L163 V164 L250 V303 L305A145-L248 HydrophobicContact CB-CD1 4.4Å; A145-L248 HydrophobicContact CB-CD2 3.45Å; A145-L248 VanDerWaalsContact CB-CD2 3.45Å; I147-L248 HydrophobicContact CD1-CD2 4.01Å; I147-L248 HydrophobicContact CG1-CD2 4.42Å; L163-L248 WeakPolarHBondContact O-CA 3.34Å; V164-L248 HydrophobicContact CG2-CD1 3.77Å; L248-L250 HydrophobicContact CD1-CD2 4.23Å; L248-V303 HydrophobicContact CB-CB 4.25Å; L248-V303 HydrophobicContact CD2-CB 4.49Å; L248-V303 HydrophobicContact CD2-CG2 4.33Å; L248-V303 PolarHBondContact N-O 3Å; L248-V303 PolarHBondContact O-N 3.26Å; L248-L305 HydrophobicContact CB-CD1 4.26Å
249L98.7Very high92.6Very high0 Ų033.6 Ų33.60%018%0.184CC..EExtended strand (participates in β ladder)trans-128.3134.8174.3-177.487.2000109.6A162 L163 F247 F256 L264 I268 I285 V300 V301 L302A162-L249 CarbonylContact C-O 3.49Å; A162-L249 VanDerWaalsContact CA-O 3.27Å; A162-L249 WeakPolarHBondContact CA-O 3.37Å; L163-L249 HydrophobicContact CD1-CB 3.79Å; L163-L249 HydrophobicContact CD1-CD2 4.36Å; L163-L249 HydrophobicContact CD2-CD2 3.9Å; L163-L249 HydrophobicContact CG-CB 3.9Å; L163-L249 HydrophobicContact CG-CD2 4.09Å; L163-L249 PolarHBondContact N-O 3.41Å; L163-L249 PolarHBondContact O-N 3.45Å; F247-L249 HydrophobicContact CD2-CB 4.38Å; F247-L249 HydrophobicContact CE2-CB 4.36Å; L249-F256 HydrophobicContact CD2-CZ 4.17Å; L249-L264 HydrophobicContact CD2-CD2 3.31Å; L249-L264 HydrophobicContact CD2-CG 3.87Å; L249-I268 HydrophobicContact CD1-CD1 3.81Å; L249-I268 HydrophobicContact CD2-CD1 3.9Å; L249-I268 HydrophobicContact CG-CD1 4.32Å; L249-I285 HydrophobicContact CD1-CD1 4.21Å; L249-V300 HydrophobicContact CD1-CG2 3.35Å; L249-V300 HydrophobicContact CG-CG2 4.18Å; L249-V301 WeakPolarHBondContact CA-O 3.48Å; L249-L302 HydrophobicContact CD1-CB 4.07Å; L249-L302 HydrophobicContact CD1-CD1 4Å
250L98.9Very high92.7Very high0 Ų034.3 Ų34.30%020%0.196CC..EExtended strand (participates in β ladder)trans-120.3131.1169.6-53.9174.5000108.1F56 V58 V143 A145 A162 L248 V300 V301F56-L250 HydrophobicContact CB-CD1 3.64Å; F56-L250 WeakPolarHBondContact O-CD1 3.28Å; V58-L250 HydrophobicContact CG2-CB 3.92Å; V143-L250 HydrophobicContact CG1-CB 4.14Å; V143-L250 HydrophobicContact CG1-CD2 4.31Å; V143-L250 HydrophobicContact CG2-CD2 4.04Å; A145-L250 HydrophobicContact CB-CD1 4.26Å; A145-L250 HydrophobicContact CB-CD2 4.29Å; A162-L250 HydrophobicContact CB-CD2 3.36Å; L248-L250 HydrophobicContact CD1-CD2 4.23Å; L250-V300 CarbonylContact O-C 3.53Å; L250-V300 WeakPolarHBondContact O-CA 3.16Å; L250-V301 HydrophobicContact CB-CB 4.26Å; L250-V301 PolarHBondContact N-O 2.84Å; L250-V301 PolarHBondContact O-N 3.3Å
251A98.8Very high93.3Very high0 Ų035.2 Ų35.20%020%0.197CC..EExtended strand (participates in β ladder)trans-152.7160.417300000112.3S160 R161 V255 F256 S299 V300S160-A251 WeakPolarHBondContact CA-O 3.34Å; R161-A251 PolarHBondContact N-O 3.07Å; R161-A251 PolarHBondContact O-N 3.2Å; A251-V255 HydrophobicContact CB-CB 3.88Å; A251-V255 HydrophobicContact CB-CG1 4.19Å; A251-V255 HydrophobicContact CB-CG2 3.9Å; A251-F256 HydrophobicContact CB-CD2 4.18Å; A251-F256 HydrophobicContact CB-CE2 3.6Å; A251-F256 HydrophobicContact CB-CZ 4.33Å; A251-F256 WeakPolarHBondContact O-CE2 3.38Å; A251-S299 VanDerWaalsContact CA-O 3.22Å; A251-S299 WeakPolarHBondContact CA-O 3.49Å; A251-S299 VanDerWaalsContact CB-O 3.29Å; A251-S299 WeakPolarHBondContact CB-O 3.24Å; A251-V300 HydrophobicContact CB-CB 4.22Å; A251-V300 HydrophobicContact CB-CG2 4.2Å
252C98.5Very high94.1Very high0 Ų034.1 Ų34.10%018%0.183CC..  trans-76.2172.9171.262.20000112.3D38 V58 D60 G254 V255 F256 S299D38-C252 PolarHBondContact OD2-SG 2.97Å; V58-C252 HydrophobicContact CG1-CB 4.24Å; D60-C252 HydrophobicContact CB-CB 3.98Å; D60-C252 WeakPolarHBondContact OD2-CB 3.19Å; C252-G254 PolarHBondContact O-N 3.34Å; C252-V255 PolarHBondContact O-N 2.91Å; C252-V255 VanDerWaalsContact O-N 3.16Å; C252-F256 WeakPolarHBondContact O-CD2 3.5Å; C252-S299 PolarHBondContact N-O 3.43Å; C252-S299 PolarHBondContact SG-N 2.8Å
253D97.9Very high95Very high21 Ų2130.5 Ų30.511%0.11217%0.166CC..Hα-helixtrans-65.4-26.9-178.673.5-9.6000112.5V255 F256 D257D253-V255 CarbonylContact O-C 3.45Å; D253-V255 PolarHBondContact O-N 3.18Å; D253-F256 PolarHBondContact O-N 3.5Å; D253-D257 VanDerWaalsContact O-CB 3.25Å; D253-D257 WeakPolarHBondContact O-CB 3.47Å; D253-D257 PolarHBondContact O-N 3.08Å
254G97.7Very high95.7Very high0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-53.8-23172.500000114.1C252 S294 M298C252-G254 PolarHBondContact O-N 3.34Å; G254-S294 VanDerWaalsContact O-CB 3.31Å; G254-S294 WeakPolarHBondContact O-CB 3.49Å; G254-S294 PolarHBondContact O-OG 2.99Å; G254-M298 WeakPolarHBondContact O-CG 3.32Å
255V98.3Very high96.3Very high0 Ų022.3 Ų22.30%012%0.118CC..Hα-helixtrans-87-54.6168.6175.90000110.8A251 C252 D253 D257 V258 T259 L264 I285 L286 M298A251-V255 HydrophobicContact CB-CB 3.88Å; A251-V255 HydrophobicContact CB-CG1 4.19Å; A251-V255 HydrophobicContact CB-CG2 3.9Å; C252-V255 PolarHBondContact O-N 2.91Å; C252-V255 VanDerWaalsContact O-N 3.16Å; D253-V255 CarbonylContact O-C 3.45Å; D253-V255 PolarHBondContact O-N 3.18Å; V255-D257 VanDerWaalsContact C-N 3.33Å; V255-D257 PolarHBondContact O-N 3.24Å; V255-V258 WeakPolarHBondContact O-CG2 3.42Å; V255-V258 PolarHBondContact O-N 2.81Å; V255-T259 HydrophobicContact CG1-CG2 4.18Å; V255-T259 WeakPolarHBondContact O-CG2 3.4Å; V255-L264 HydrophobicContact CG1-CD2 3.85Å; V255-I285 HydrophobicContact CG1-CG2 3.97Å; V255-L286 HydrophobicContact CG2-CD2 4.06Å; V255-M298 HydrophobicContact CG2-CB 4.31Å; V255-M298 HydrophobicContact CG2-CG 4.33Å
256F97.5Very high96.8Very high11 Ų1124.8 Ų24.85%0.04813%0.131CC..Hα-helixtrans-73-16.7-170.3-71.7-69.3000115.5R161 L163 L249 A251 C252 D253 V258 T259 L264R161-F256 HydrophobicContact CB-CD2 3.67Å; R161-F256 HydrophobicContact CB-CE2 3.53Å; R161-F256 HydrophobicContact CB-CG 4.24Å; R161-F256 HydrophobicContact CB-CZ 4Å; R161-F256 HydrophobicContact CG-CE2 4.32Å; R161-F256 HydrophobicContact CG-CZ 4.3Å; R161-F256 WeakPolarHBondContact O-CE2 3.47Å; L163-F256 HydrophobicContact CD2-CE1 3.8Å; L163-F256 HydrophobicContact CD2-CZ 4.06Å; L249-F256 HydrophobicContact CD2-CZ 4.17Å; A251-F256 HydrophobicContact CB-CD2 4.18Å; A251-F256 HydrophobicContact CB-CE2 3.6Å; A251-F256 HydrophobicContact CB-CZ 4.33Å; A251-F256 WeakPolarHBondContact O-CE2 3.38Å; C252-F256 WeakPolarHBondContact O-CD2 3.5Å; D253-F256 PolarHBondContact O-N 3.5Å; F256-V258 PolarHBondContact O-N 3.5Å; F256-T259 VanDerWaalsContact O-O 3.09Å; F256-L264 HydrophobicContact CD1-CD2 4.43Å; F256-L264 HydrophobicContact CE1-CD2 3.84Å; F256-L264 HydrophobicContact CZ-CD2 4.29Å
257D96Very high97Very high106 Ų10623.8 Ų23.857%0.56713%0.126SC*.THydrogen-bonded Turntrans-68.4-24.9176.7-88.62.9000112.7D253 V255D253-D257 VanDerWaalsContact O-CB 3.25Å; D253-D257 WeakPolarHBondContact O-CB 3.47Å; D253-D257 PolarHBondContact O-N 3.08Å; V255-D257 VanDerWaalsContact C-N 3.33Å; V255-D257 PolarHBondContact O-N 3.24Å
258V95.8Very high97Very high35 Ų3523.8 Ų23.821%0.21213%0.126CC..SBendtrans-118.32.4-174.9-59.80000113.7V255 F256 C289 K292V255-V258 WeakPolarHBondContact O-CG2 3.42Å; V255-V258 PolarHBondContact O-N 2.81Å; F256-V258 PolarHBondContact O-N 3.5Å; V258-C289 HydrophobicContact CG2-CB 3.61Å; V258-K292 HydrophobicContact CB-CB 3.9Å; V258-K292 HydrophobicContact CB-CD 4.47Å; V258-K292 HydrophobicContact CG2-CB 4.13Å; V258-K292 WeakPolarHBondContact O-CD 3.25Å; V258-K292 PolarHBondContact O-NZ 3.01Å
259T95Very high96.9Very high7 Ų724.8 Ų24.84%0.04313%0.132CC..SBendtrans-146.1137.4179.1-158.50000111.4V255 F256 L264 K292V255-T259 HydrophobicContact CG1-CG2 4.18Å; V255-T259 WeakPolarHBondContact O-CG2 3.4Å; F256-T259 VanDerWaalsContact O-O 3.09Å; T259-L264 HydrophobicContact CG2-CB 3.95Å; T259-L264 HydrophobicContact CG2-CD1 4.3Å; T259-L264 HydrophobicContact CG2-CD2 3.85Å; T259-L264 HydrophobicContact CG2-CG 4.27Å; T259-K292 PolarHBondContact OG1-NZ 2.75Å
260T95.7Very high96.7Very high75 Ų7526.1 Ų26.146%0.4614%0.141SC..  trans-77.3160.317570.10000111.2Q262 E263 L264T260-Q262 VanDerWaalsContact C-N 3.3Å; T260-Q262 PolarHBondContact O-N 2.64Å; T260-E263 PolarHBondContact N-OE2 3.08Å; T260-E263 PolarHBondContact O-N 3.38Å; T260-E263 WeakPolarHBondContact OG1-CB 3.31Å; T260-E263 VanDerWaalsContact OG1-CD 3.31Å; T260-E263 WeakPolarHBondContact OG1-CG 3.44Å; T260-E263 PolarHBondContact OG1-N 3.48Å; T260-E263 PolarHBondContact OG1-OE2 3.03Å; T260-L264 WeakPolarHBondContact O-CB 3.21Å; T260-L264 PolarHBondContact O-N 3.38Å
261N97.2Very high96.6Very high42 Ų4226.5 Ų26.523%0.22514%0.142CC..Hα-helixtrans-56.6-43.2178.5-62.7-15.3000112R161 L163 V170 C265R161-N261 WeakPolarHBondContact CD-OD1 3.29Å; R161-N261 PolarHBondContact NH1-OD1 2.94Å; L163-N261 HydrophobicContact CD2-CB 4.43Å; V170-N261 HydrophobicContact CG1-CB 4.4Å; V170-N261 HydrophobicContact CG2-CB 4.08Å; V170-N261 WeakPolarHBondContact CG2-O 3.48Å; N261-C265 VanDerWaalsContact O-CB 3.26Å; N261-C265 WeakPolarHBondContact O-CB 3.49Å; N261-C265 PolarHBondContact O-N 2.91Å
262Q95.4Very high96.5Very high75 Ų7526.6 Ų26.635%0.3514%0.143SC..Hα-helixtrans-73.8-40.2-178-169.761.948.700111.9T260 L264 C265 D266T260-Q262 VanDerWaalsContact C-N 3.3Å; T260-Q262 PolarHBondContact O-N 2.64Å; Q262-L264 VanDerWaalsContact C-N 3.3Å; Q262-L264 PolarHBondContact O-N 3.33Å; Q262-C265 WeakPolarHBondContact O-CB 3.29Å; Q262-C265 PolarHBondContact O-N 3.15Å; Q262-D266 PolarHBondContact NE2-OD1 2.84Å; Q262-D266 VanDerWaalsContact O-CG 3.24Å; Q262-D266 PolarHBondContact O-N 3.26Å
263E95.3Very high96.4Very high69 Ų6932.9 Ų32.932%0.32217%0.167SC..Hα-helixtrans-59.1-43.2174.5-74.3170.3160.200111.8T260 F267 K292T260-E263 PolarHBondContact N-OE2 3.08Å; T260-E263 PolarHBondContact O-N 3.38Å; T260-E263 WeakPolarHBondContact OG1-CB 3.31Å; T260-E263 VanDerWaalsContact OG1-CD 3.31Å; T260-E263 WeakPolarHBondContact OG1-CG 3.44Å; T260-E263 PolarHBondContact OG1-N 3.48Å; T260-E263 PolarHBondContact OG1-OE2 3.03Å; E263-F267 VanDerWaalsContact O-CB 3.23Å; E263-F267 WeakPolarHBondContact O-CB 3.47Å; E263-F267 PolarHBondContact O-N 3.44Å; E263-K292 IonicContact OE2-NZ 3.57Å
264L96.4Very high96.3Very high2 Ų233.3 Ų33.31%0.0117%0.17CC..Hα-helixtrans-68-38.5178.3-171.753.8000111.4L163 L249 V255 F256 T259 T260 Q262 F267 I268 I285L163-L264 HydrophobicContact CD2-CD2 4.48Å; L249-L264 HydrophobicContact CD2-CD2 3.31Å; L249-L264 HydrophobicContact CD2-CG 3.87Å; V255-L264 HydrophobicContact CG1-CD2 3.85Å; F256-L264 HydrophobicContact CD1-CD2 4.43Å; F256-L264 HydrophobicContact CE1-CD2 3.84Å; F256-L264 HydrophobicContact CZ-CD2 4.29Å; T259-L264 HydrophobicContact CG2-CB 3.95Å; T259-L264 HydrophobicContact CG2-CD1 4.3Å; T259-L264 HydrophobicContact CG2-CD2 3.85Å; T259-L264 HydrophobicContact CG2-CG 4.27Å; T260-L264 WeakPolarHBondContact O-CB 3.21Å; T260-L264 PolarHBondContact O-N 3.38Å; Q262-L264 VanDerWaalsContact C-N 3.3Å; Q262-L264 PolarHBondContact O-N 3.33Å; L264-F267 HydrophobicContact CD1-CD1 4.39Å; L264-F267 PolarHBondContact O-N 3.44Å; L264-I268 HydrophobicContact CD1-CD1 4.14Å; L264-I268 HydrophobicContact CD1-CG1 4.42Å; L264-I268 HydrophobicContact CG-CD1 3.95Å; L264-I268 WeakPolarHBondContact O-CB 3.11Å; L264-I268 WeakPolarHBondContact O-CD1 3.39Å; L264-I268 VanDerWaalsContact O-CG1 3.24Å; L264-I268 WeakPolarHBondContact O-CG1 3.12Å; L264-I268 PolarHBondContact O-N 2.93Å; L264-I285 HydrophobicContact CD1-CD1 4.27Å; L264-I285 HydrophobicContact CD1-CG1 4.06Å; L264-I285 HydrophobicContact CD1-CG2 3.84Å
265C96.4Very high96.2Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-60.9-53.3175178.90000112C165 V170 F247 N261 Q262 F267 I268 L269C165-C265 PolarHBondContact SG-SG 3.32Å; V170-C265 HydrophobicContact CG2-CB 3.61Å; F247-C265 HydrophobicContact CZ-CB 4.4Å; N261-C265 VanDerWaalsContact O-CB 3.26Å; N261-C265 WeakPolarHBondContact O-CB 3.49Å; N261-C265 PolarHBondContact O-N 2.91Å; Q262-C265 WeakPolarHBondContact O-CB 3.29Å; Q262-C265 PolarHBondContact O-N 3.15Å; C265-F267 VanDerWaalsContact C-N 3.26Å; C265-F267 PolarHBondContact O-N 3.07Å; C265-I268 PolarHBondContact O-N 2.88Å; C265-L269 WeakPolarHBondContact O-CG 3.16Å; C265-L269 PolarHBondContact O-N 3.32Å
266D95.6Very high96Very high56 Ų5636.4 Ų36.430%0.29920%0.198SC..Hα-helixtrans-59.9-40.9179.1-65.1-20000111Q262 S270 P362Q262-D266 PolarHBondContact NE2-OD1 2.84Å; Q262-D266 VanDerWaalsContact O-CG 3.24Å; Q262-D266 PolarHBondContact O-N 3.26Å; D266-S270 PolarHBondContact O-N 2.94Å; D266-P362 HydrophobicContact CB-CB 4.06Å; D266-P362 HydrophobicContact CB-CG 4.13Å; D266-P362 WeakPolarHBondContact O-CG 3.35Å
267F96Very high96Very high1 Ų139.5 Ų39.50%0.00422%0.215CC..Hα-helixtrans-59.6-53.4175.8177.4-116.1000111.6E263 L264 C265 L269 S270 R271 E284 I285 P361 A368E263-F267 VanDerWaalsContact O-CB 3.23Å; E263-F267 WeakPolarHBondContact O-CB 3.47Å; E263-F267 PolarHBondContact O-N 3.44Å; L264-F267 HydrophobicContact CD1-CD1 4.39Å; L264-F267 PolarHBondContact O-N 3.44Å; C265-F267 VanDerWaalsContact C-N 3.26Å; C265-F267 PolarHBondContact O-N 3.07Å; F267-L269 PolarHBondContact O-N 2.96Å; F267-S270 WeakPolarHBondContact O-CB 3.47Å; F267-S270 PolarHBondContact O-N 2.85Å; F267-S270 VanDerWaalsContact O-N 3.11Å; F267-S270 PolarHBondContact O-OG 2.87Å; F267-R271 HydrophobicContact CD2-CG 4.11Å; F267-R271 HydrophobicContact CE1-CG 4.09Å; F267-R271 HydrophobicContact CE2-CG 3.55Å; F267-R271 HydrophobicContact CZ-CG 3.56Å; F267-R271 WeakPolarHBondContact O-CG 3.31Å; F267-R271 PolarHBondContact O-N 3.31Å; F267-E284 HydrophobicContact CE1-CB 4.44Å; F267-E284 HydrophobicContact CZ-CB 4Å; F267-I285 HydrophobicContact CD1-CG1 4.05Å; F267-I285 HydrophobicContact CE1-CG1 3.75Å; F267-P361 HydrophobicContact CD2-CB 3.96Å; F267-P361 HydrophobicContact CE2-CB 4.02Å; F267-A368 HydrophobicContact CD2-CB 3.98Å; F267-A368 HydrophobicContact CE2-CB 3.26Å; F267-A368 HydrophobicContact CZ-CB 3.76Å
268I96.9Very high96.1Very high0 Ų034.7 Ų34.70%019%0.189CC..Hα-helixtrans-59.3-44.7179.9-69.8162.8000111.3F247 L249 L264 C265 S270 R271 L272 I285 L302F247-I268 HydrophobicContact CD1-CG2 3.93Å; F247-I268 HydrophobicContact CD2-CD1 4.49Å; F247-I268 HydrophobicContact CD2-CG2 4.12Å; F247-I268 HydrophobicContact CE1-CB 4.19Å; F247-I268 HydrophobicContact CE1-CG2 3.73Å; F247-I268 HydrophobicContact CE2-CB 4.23Å; F247-I268 HydrophobicContact CE2-CD1 3.74Å; F247-I268 HydrophobicContact CE2-CG2 3.91Å; F247-I268 HydrophobicContact CG-CG2 4.13Å; F247-I268 HydrophobicContact CZ-CB 3.86Å; F247-I268 HydrophobicContact CZ-CD1 4.12Å; F247-I268 HydrophobicContact CZ-CG2 3.72Å; L249-I268 HydrophobicContact CD1-CD1 3.81Å; L249-I268 HydrophobicContact CD2-CD1 3.9Å; L249-I268 HydrophobicContact CG-CD1 4.32Å; L264-I268 HydrophobicContact CD1-CD1 4.14Å; L264-I268 HydrophobicContact CD1-CG1 4.42Å; L264-I268 HydrophobicContact CG-CD1 3.95Å; L264-I268 WeakPolarHBondContact O-CB 3.11Å; L264-I268 WeakPolarHBondContact O-CD1 3.39Å; L264-I268 VanDerWaalsContact O-CG1 3.24Å; L264-I268 WeakPolarHBondContact O-CG1 3.12Å; L264-I268 PolarHBondContact O-N 2.93Å; C265-I268 PolarHBondContact O-N 2.88Å; I268-S270 VanDerWaalsContact C-N 3.27Å; I268-S270 PolarHBondContact O-N 2.81Å; I268-R271 PolarHBondContact O-N 3.06Å; I268-R271 VanDerWaalsContact O-N 3.1Å; I268-L272 HydrophobicContact CG2-CD1 3.77Å; I268-L272 HydrophobicContact CG2-CG 4.16Å; I268-L272 WeakPolarHBondContact O-CG 3.28Å; I268-L272 PolarHBondContact O-N 3.34Å; I268-I285 HydrophobicContact CD1-CD1 3.95Å; I268-I285 HydrophobicContact CG1-CD1 3.84Å; I268-I285 HydrophobicContact CG1-CG1 4.43Å; I268-L302 HydrophobicContact CD1-CD1 4.38Å; I268-L302 HydrophobicContact CG2-CD1 3.91Å; I268-L302 HydrophobicContact CG2-CD2 4.13Å
269L95.8Very high96.2Very high21 Ų2133.4 Ų33.411%0.1118%0.183CC..Hα-helixtrans-59.3-38.7176.9-70.4172.6000112.2E246 F247 C265 F267 P309E246-L269 HydrophobicContact CB-CD2 4.36Å; E246-L269 WeakPolarHBondContact OE1-CD2 3.25Å; F247-L269 HydrophobicContact CD1-CD2 4.14Å; F247-L269 HydrophobicContact CE1-CD2 3.68Å; F247-L269 HydrophobicContact CE1-CG 3.85Å; C265-L269 WeakPolarHBondContact O-CG 3.16Å; C265-L269 PolarHBondContact O-N 3.32Å; F267-L269 PolarHBondContact O-N 2.96Å; L269-P309 HydrophobicContact CD2-CG 3.84Å
270S95.5Very high96.2Very high28 Ų2835.7 Ų35.720%0.19620%0.196CC..Hα-helixtrans-65.5-41.617581.20000111.9D266 F267 I268 R273D266-S270 PolarHBondContact O-N 2.94Å; F267-S270 WeakPolarHBondContact O-CB 3.47Å; F267-S270 PolarHBondContact O-N 2.85Å; F267-S270 VanDerWaalsContact O-N 3.11Å; F267-S270 PolarHBondContact O-OG 2.87Å; I268-S270 VanDerWaalsContact C-N 3.27Å; I268-S270 PolarHBondContact O-N 2.81Å; S270-R273 PolarHBondContact O-N 3.14Å
271R96.3Very high96.3Very high7 Ų732.1 Ų32.13%0.02617%0.174CC..Hα-helixtrans-73.7-35.1-178.2-61.8-45.9-61.4178.3-6.3113.4F267 I268 R273 V274 S275 I281 E284 E319F267-R271 HydrophobicContact CD2-CG 4.11Å; F267-R271 HydrophobicContact CE1-CG 4.09Å; F267-R271 HydrophobicContact CE2-CG 3.55Å; F267-R271 HydrophobicContact CZ-CG 3.56Å; F267-R271 WeakPolarHBondContact O-CG 3.31Å; F267-R271 PolarHBondContact O-N 3.31Å; I268-R271 PolarHBondContact O-N 3.06Å; I268-R271 VanDerWaalsContact O-N 3.1Å; R271-R273 PolarHBondContact O-N 2.95Å; R271-V274 WeakPolarHBondContact O-CA 3.25Å; R271-V274 PolarHBondContact O-N 2.7Å; R271-S275 PolarHBondContact O-N 2.82Å; R271-I281 HydrophobicContact CB-CB 4.41Å; R271-I281 HydrophobicContact CB-CD1 4.08Å; R271-I281 HydrophobicContact CB-CG1 3.91Å; R271-I281 HydrophobicContact CB-CG2 3.79Å; R271-I281 HydrophobicContact CG-CG2 4.38Å; R271-E284 IonicContact CZ-OE1 3.07Å; R271-E284 IonicContact CZ-OE2 3.51Å; R271-E284 IonicContact NE-OE1 2.89Å; R271-E284 IonicContact NE-OE2 2.85Å; R271-E284 PolarHBondContact NE-OE2 3.45Å; R271-E284 IonicContact NH2-OE1 3.49Å; R271-E284 PolarHBondContact NH2-OE1 3.08Å; R271-E284 IonicContact NH2-OE2 3.4Å; R271-E284 PolarHBondContact NH2-OE2 3.28Å; R271-E319 IonicContact CZ-OE1 3.34Å; R271-E319 IonicContact NH1-OE1 2.66Å; R271-E319 PolarHBondContact NH1-OE1 2.93Å; R271-E319 IonicContact NH1-OE2 3.18Å; R271-E319 PolarHBondContact NH1-OE2 3.11Å; R271-E319 IonicContact NH2-OE1 3.36Å; R271-E319 PolarHBondContact NH2-OE1 3.18Å
272L96.6Very high96.4Very high2 Ų230.1 Ų30.11%0.0116%0.164CC..Hα-helixtrans-59.5-29.4174.5-75.8168.7000112.6F247 I268 V274 L278 I281 P309F247-L272 HydrophobicContact CD1-CD1 4Å; I268-L272 HydrophobicContact CG2-CD1 3.77Å; I268-L272 HydrophobicContact CG2-CG 4.16Å; I268-L272 WeakPolarHBondContact O-CG 3.28Å; I268-L272 PolarHBondContact O-N 3.34Å; L272-V274 VanDerWaalsContact C-N 3.31Å; L272-L278 HydrophobicContact CD2-CD2 3.45Å; L272-L278 VanDerWaalsContact CD2-CD2 3.45Å; L272-I281 HydrophobicContact CB-CD1 4.48Å; L272-I281 HydrophobicContact CD2-CD1 3.62Å; L272-I281 HydrophobicContact CG-CD1 3.93Å; L272-P309 HydrophobicContact CB-CB 4.26Å
273R96.6Very high96.5Very high133 Ų13328 Ų2850%0.50216%0.155SC..THydrogen-bonded Turntrans-77.7-15.7174.5-65.2176.9-178.2-126.5-1113.4S270 R271 P309 V311 S312 A315S270-R273 PolarHBondContact O-N 3.14Å; R271-R273 PolarHBondContact O-N 2.95Å; R273-P309 HydrophobicContact CG-CB 3.88Å; R273-V311 CarbonylContact O-C 3.48Å; R273-V311 WeakPolarHBondContact O-CA 3.45Å; R273-S312 PolarHBondContact O-N 3.09Å; R273-A315 HydrophobicContact CB-CB 3.78Å; R273-A315 WeakPolarHBondContact O-CB 3.18Å
274V95.9Very high96.5Very high29 Ų2926 Ų2618%0.17615%0.145CC..THydrogen-bonded Turntrans-100.4-40.6-179.2177.40000111.3R271 L272 A315 E319R271-V274 WeakPolarHBondContact O-CA 3.25Å; R271-V274 PolarHBondContact O-N 2.7Å; L272-V274 VanDerWaalsContact C-N 3.31Å; V274-A315 HydrophobicContact CG2-CB 4.11Å; V274-E319 HydrophobicContact CG1-CB 3.97Å; V274-E319 HydrophobicContact CG1-CG 3.8Å; V274-E319 HydrophobicContact CG2-CB 4.32Å
275S95.6Very high96.6Very high24 Ų2426 Ų2617%0.16815%0.145CC..  trans-129.1134.5-176.7-177.70000111.7R271 D277R271-S275 PolarHBondContact O-N 2.82Å; S275-D277 VanDerWaalsContact C-N 3.33Å; S275-D277 PolarHBondContact OG-N 2.93Å; S275-D277 VanDerWaalsContact OG-N 3.09Å; S275-D277 PolarHBondContact OG-O 2.89Å
276G94.4Very high96.6Very high41 Ų4126 Ų2642%0.42315%0.145SC..SBendtrans-81.9-14168.900000113.3R23 V311R23-G276 PolarHBondContact NH1-O 2.74Å; G276-V311 VanDerWaalsContact N-CG2 3.32Å
277D96.9Very high96.6Very high76 Ų7624.1 Ų24.141%0.40614%0.135SC..  trans-86.6109.5180-172.6-17.8000110.4S275 A279 V280 I281S275-D277 VanDerWaalsContact C-N 3.33Å; S275-D277 PolarHBondContact OG-N 2.93Å; S275-D277 VanDerWaalsContact OG-N 3.09Å; S275-D277 PolarHBondContact OG-O 2.89Å; D277-A279 VanDerWaalsContact C-N 3.34Å; D277-A279 PolarHBondContact O-N 3.01Å; D277-A279 WeakPolarHBondContact OD1-CB 3.14Å; D277-A279 PolarHBondContact OD1-N 2.91Å; D277-V280 HydrophobicContact CB-CB 4.27Å; D277-V280 HydrophobicContact CB-CG2 3.95Å; D277-V280 PolarHBondContact O-N 3.49Å; D277-I281 PolarHBondContact O-N 2.93Å
278L98.2Very high96.6Very high5 Ų524.1 Ų24.13%0.02614%0.136CC..Hα-helixtrans-71.6-27.2-177-58.2-178.7000112.7R23 L272 V280 I281 C282 L302 A304R23-L278 VanDerWaalsContact C-CD1 3.48Å; R23-L278 HydrophobicContact CB-CD1 3.85Å; R23-L278 WeakPolarHBondContact O-CD1 3.28Å; L272-L278 HydrophobicContact CD2-CD2 3.45Å; L272-L278 VanDerWaalsContact CD2-CD2 3.45Å; L278-V280 VanDerWaalsContact C-N 3.33Å; L278-I281 HydrophobicContact CD2-CD1 4.11Å; L278-I281 PolarHBondContact O-N 2.89Å; L278-C282 PolarHBondContact O-N 3Å; L278-C282 PolarHBondContact O-SG 2.88Å; L278-L302 HydrophobicContact CB-CD2 4.49Å; L278-L302 HydrophobicContact CD2-CD2 4.09Å; L278-A304 HydrophobicContact CD1-CB 3.69Å; L278-A304 HydrophobicContact CD2-CB 4.11Å
279A97.8Very high96.6Very high9 Ų924.2 Ų24.27%0.07414%0.136CC..Hα-helixtrans-67.9-37.4176.600000110.7N14 D277 I281 C282 N283N14-A279 HydrophobicContact CB-CB 4.36Å; D277-A279 VanDerWaalsContact C-N 3.34Å; D277-A279 PolarHBondContact O-N 3.01Å; D277-A279 WeakPolarHBondContact OD1-CB 3.14Å; D277-A279 PolarHBondContact OD1-N 2.91Å; A279-I281 VanDerWaalsContact C-N 3.34Å; A279-I281 PolarHBondContact O-N 3.05Å; A279-C282 WeakPolarHBondContact O-CB 3.2Å; A279-C282 PolarHBondContact O-N 3.35Å; A279-N283 VanDerWaalsContact O-CG 3.22Å; A279-N283 PolarHBondContact O-N 2.86Å; A279-N283 PolarHBondContact O-ND2 3.25Å
280V96.2Very high96.5Very high55 Ų5523.4 Ų23.433%0.33313%0.132SC..Hα-helixtrans-60-45.5172.2174.60000110.9D277 L278 C282 N283 E284D277-V280 HydrophobicContact CB-CB 4.27Å; D277-V280 HydrophobicContact CB-CG2 3.95Å; D277-V280 PolarHBondContact O-N 3.49Å; L278-V280 VanDerWaalsContact C-N 3.33Å; V280-C282 PolarHBondContact O-N 3.33Å; V280-N283 WeakPolarHBondContact O-CB 3.43Å; V280-N283 PolarHBondContact O-N 3.31Å; V280-E284 WeakPolarHBondContact O-CG 3.48Å; V280-E284 PolarHBondContact O-N 2.82Å
281I97.3Very high96.4Very high0 Ų022.6 Ų22.60%013%0.126CC..Hα-helixtrans-62.5-43.8177.6-56.8177.8000110.6R271 L272 D277 L278 A279 N283 E284 I285 L302R271-I281 HydrophobicContact CB-CB 4.41Å; R271-I281 HydrophobicContact CB-CD1 4.08Å; R271-I281 HydrophobicContact CB-CG1 3.91Å; R271-I281 HydrophobicContact CB-CG2 3.79Å; R271-I281 HydrophobicContact CG-CG2 4.38Å; L272-I281 HydrophobicContact CB-CD1 4.48Å; L272-I281 HydrophobicContact CD2-CD1 3.62Å; L272-I281 HydrophobicContact CG-CD1 3.93Å; D277-I281 PolarHBondContact O-N 2.93Å; L278-I281 HydrophobicContact CD2-CD1 4.11Å; L278-I281 PolarHBondContact O-N 2.89Å; A279-I281 VanDerWaalsContact C-N 3.34Å; A279-I281 PolarHBondContact O-N 3.05Å; I281-N283 VanDerWaalsContact C-N 3.34Å; I281-N283 PolarHBondContact O-N 2.99Å; I281-E284 PolarHBondContact O-N 2.96Å; I281-I285 HydrophobicContact CG2-CD1 4.45Å; I281-I285 WeakPolarHBondContact O-CG1 3.48Å; I281-I285 PolarHBondContact O-N 2.85Å; I281-L302 HydrophobicContact CB-CD2 4.08Å; I281-L302 HydrophobicContact CG2-CD2 3.78Å
282C98.3Very high96.2Very high0 Ų024.1 Ų24.10%013%0.133CC..Hα-helixtrans-57.6-45.2174.6-71.50000112G25 A27 L278 A279 V280 E284 I285 L286 V300 L302G25-C282 PolarHBondContact O-SG 3.49Å; A27-C282 HydrophobicContact CB-CB 3.51Å; L278-C282 PolarHBondContact O-N 3Å; L278-C282 PolarHBondContact O-SG 2.88Å; A279-C282 WeakPolarHBondContact O-CB 3.2Å; A279-C282 PolarHBondContact O-N 3.35Å; V280-C282 PolarHBondContact O-N 3.33Å; C282-E284 VanDerWaalsContact C-N 3.31Å; C282-E284 PolarHBondContact O-N 2.99Å; C282-I285 WeakPolarHBondContact O-CB 3.49Å; C282-I285 PolarHBondContact O-N 3.44Å; C282-L286 WeakPolarHBondContact O-CG 2.96Å; C282-L286 PolarHBondContact O-N 3.2Å; C282-L286 VanDerWaalsContact O-N 3.07Å; C282-V300 HydrophobicContact CB-CG1 3.66Å; C282-L302 VanDerWaalsContact SG-CB 3.51Å
283N97.4Very high96Very high31 Ų3130.2 Ų30.217%0.16617%0.166CC..Hα-helixtrans-60.1-41.1176.5-68.7-38.2000112.3K12 N14 A27 A279 V280 I281 L286 D287K12-N283 WeakPolarHBondContact CB-OD1 3.31Å; K12-N283 HydrophobicContact CD-CB 3.66Å; K12-N283 VanDerWaalsContact CD-CG 3.49Å; K12-N283 WeakPolarHBondContact CD-OD1 3.49Å; N14-N283 PolarHBondContact ND2-ND2 2.84Å; N14-N283 PolarHBondContact ND2-OD1 2.9Å; N14-N283 VanDerWaalsContact OD1-CG 3.25Å; N14-N283 PolarHBondContact OD1-ND2 3.29Å; N14-N283 PolarHBondContact OD1-OD1 3.27Å; A27-N283 WeakPolarHBondContact CB-OD1 3.43Å; A279-N283 VanDerWaalsContact O-CG 3.22Å; A279-N283 PolarHBondContact O-N 2.86Å; A279-N283 PolarHBondContact O-ND2 3.25Å; V280-N283 WeakPolarHBondContact O-CB 3.43Å; V280-N283 PolarHBondContact O-N 3.31Å; I281-N283 VanDerWaalsContact C-N 3.34Å; I281-N283 PolarHBondContact O-N 2.99Å; N283-L286 PolarHBondContact O-N 2.94Å; N283-D287 WeakPolarHBondContact O-CB 3.34Å; N283-D287 PolarHBondContact O-N 3.43Å
284E96.5Very high96Very high26 Ų2624.1 Ų24.112%0.12114%0.144CC..Hα-helixtrans-67-34.8177.5-67168.9161.500112.4F267 R271 V280 I281 C282 S288F267-E284 HydrophobicContact CE1-CB 4.44Å; F267-E284 HydrophobicContact CZ-CB 4Å; R271-E284 IonicContact CZ-OE1 3.07Å; R271-E284 IonicContact CZ-OE2 3.51Å; R271-E284 IonicContact NE-OE1 2.89Å; R271-E284 IonicContact NE-OE2 2.85Å; R271-E284 PolarHBondContact NE-OE2 3.45Å; R271-E284 IonicContact NH2-OE1 3.49Å; R271-E284 PolarHBondContact NH2-OE1 3.08Å; R271-E284 IonicContact NH2-OE2 3.4Å; R271-E284 PolarHBondContact NH2-OE2 3.28Å; V280-E284 WeakPolarHBondContact O-CG 3.48Å; V280-E284 PolarHBondContact O-N 2.82Å; I281-E284 PolarHBondContact O-N 2.96Å; C282-E284 VanDerWaalsContact C-N 3.31Å; C282-E284 PolarHBondContact O-N 2.99Å; E284-S288 VanDerWaalsContact O-CB 3.22Å; E284-S288 WeakPolarHBondContact O-CB 3.42Å; E284-S288 PolarHBondContact O-N 3.44Å
285I97.4Very high96Very high1 Ų128.4 Ų28.41%0.00516%0.157CC..Hα-helixtrans-59.7-50.7170.4-64.9167000109.6L249 V255 L264 F267 I268 I281 C282 D287 S288 C289 V300L249-I285 HydrophobicContact CD1-CD1 4.21Å; V255-I285 HydrophobicContact CG1-CG2 3.97Å; L264-I285 HydrophobicContact CD1-CD1 4.27Å; L264-I285 HydrophobicContact CD1-CG1 4.06Å; L264-I285 HydrophobicContact CD1-CG2 3.84Å; F267-I285 HydrophobicContact CD1-CG1 4.05Å; F267-I285 HydrophobicContact CE1-CG1 3.75Å; I268-I285 HydrophobicContact CD1-CD1 3.95Å; I268-I285 HydrophobicContact CG1-CD1 3.84Å; I268-I285 HydrophobicContact CG1-CG1 4.43Å; I281-I285 HydrophobicContact CG2-CD1 4.45Å; I281-I285 WeakPolarHBondContact O-CG1 3.48Å; I281-I285 PolarHBondContact O-N 2.85Å; C282-I285 WeakPolarHBondContact O-CB 3.49Å; C282-I285 PolarHBondContact O-N 3.44Å; I285-D287 PolarHBondContact O-N 3.37Å; I285-S288 WeakPolarHBondContact O-CB 3.2Å; I285-S288 PolarHBondContact O-N 3.29Å; I285-C289 PolarHBondContact O-N 2.86Å; I285-C289 PolarHBondContact O-SG 2.83Å; I285-C289 VanDerWaalsContact O-SG 3.42Å; I285-V300 HydrophobicContact CD1-CG2 4.17Å
286L97.6Very high96.1Very high0 Ų028.5 Ų28.50%016%0.155CC..Hα-helixtrans-63.6-43.4-177.9-59.5-161.3000112.2A27 M29 V255 C282 N283 S288 C289 L290 M298 V300A27-L286 HydrophobicContact CB-CD1 3.73Å; A27-L286 HydrophobicContact CB-CG 4.2Å; M29-L286 HydrophobicContact CB-CD1 3.65Å; M29-L286 HydrophobicContact CE-CB 3.94Å; V255-L286 HydrophobicContact CG2-CD2 4.06Å; C282-L286 WeakPolarHBondContact O-CG 2.96Å; C282-L286 PolarHBondContact O-N 3.2Å; C282-L286 VanDerWaalsContact O-N 3.07Å; N283-L286 PolarHBondContact O-N 2.94Å; L286-S288 VanDerWaalsContact C-N 3.31Å; L286-S288 PolarHBondContact O-N 3.16Å; L286-C289 PolarHBondContact O-N 3.33Å; L286-L290 WeakPolarHBondContact O-CB 3.35Å; L286-L290 PolarHBondContact O-N 2.76Å; L286-M298 HydrophobicContact CD1-CB 4.49Å; L286-M298 HydrophobicContact CD2-CB 3.74Å; L286-V300 HydrophobicContact CD2-CB 4.2Å; L286-V300 HydrophobicContact CD2-CG1 3.64Å; L286-V300 HydrophobicContact CG-CG1 4.09Å
287D95.6Very high96.3Very high18 Ų1826.6 Ų26.610%0.09614%0.135CC..Hα-helixtrans-64.3-38177.1-78-30.3000112K12 N283 I285 S291 R370K12-D287 VanDerWaalsContact CE-CG 3.41Å; K12-D287 WeakPolarHBondContact CE-OD1 3.46Å; K12-D287 WeakPolarHBondContact CE-OD2 3.32Å; K12-D287 IonicContact NZ-OD1 2.86Å; K12-D287 PolarHBondContact NZ-OD1 2.75Å; K12-D287 IonicContact NZ-OD2 3.2Å; K12-D287 PolarHBondContact NZ-OD2 3.41Å; N283-D287 WeakPolarHBondContact O-CB 3.34Å; N283-D287 PolarHBondContact O-N 3.43Å; I285-D287 PolarHBondContact O-N 3.37Å; D287-S291 WeakPolarHBondContact O-CB 3.4Å; D287-S291 PolarHBondContact O-N 2.67Å; D287-R370 HydrophobicContact CB-CB 4.17Å; D287-R370 HydrophobicContact CB-CG 4.34Å; D287-R370 VanDerWaalsContact O-CD 3.27Å; D287-R370 WeakPolarHBondContact O-CD 3.36Å
288S95.1Very high96.4Very high1 Ų123 Ų231%0.00712%0.116CC..Hα-helixtrans-60-50.5172.4-178.50000111.5E284 I285 L286 S291 K292 S364 H367E284-S288 VanDerWaalsContact O-CB 3.22Å; E284-S288 WeakPolarHBondContact O-CB 3.42Å; E284-S288 PolarHBondContact O-N 3.44Å; I285-S288 WeakPolarHBondContact O-CB 3.2Å; I285-S288 PolarHBondContact O-N 3.29Å; L286-S288 VanDerWaalsContact C-N 3.31Å; L286-S288 PolarHBondContact O-N 3.16Å; S288-S291 WeakPolarHBondContact O-CB 3.47Å; S288-S291 PolarHBondContact O-N 2.88Å; S288-S291 VanDerWaalsContact O-N 3.14Å; S288-K292 WeakPolarHBondContact O-CG 3.2Å; S288-K292 PolarHBondContact O-N 2.85Å; S288-S364 WeakPolarHBondContact OG-CB 3.29Å; S288-S364 PolarHBondContact OG-OG 3.41Å; S288-H367 WeakPolarHBondContact CA-O 3.35Å
289C96.6Very high96.4Very high2 Ų222.7 Ų22.71%0.01411%0.114CC..Hα-helixtrans-64.2-43.1-179.1-69.60000111.7V258 I285 L286 S291 K292 D293 S294 M298V258-C289 HydrophobicContact CG2-CB 3.61Å; I285-C289 PolarHBondContact O-N 2.86Å; I285-C289 PolarHBondContact O-SG 2.83Å; I285-C289 VanDerWaalsContact O-SG 3.42Å; L286-C289 PolarHBondContact O-N 3.33Å; C289-S291 VanDerWaalsContact C-N 3.25Å; C289-S291 PolarHBondContact O-N 3.42Å; C289-K292 CarbonylContact O-C 3.51Å; C289-K292 PolarHBondContact O-N 3.33Å; C289-K292 VanDerWaalsContact O-N 3.08Å; C289-D293 PolarHBondContact O-N 3.22Å; C289-S294 VanDerWaalsContact O-CB 3.27Å; C289-S294 WeakPolarHBondContact O-CB 3.12Å; C289-S294 PolarHBondContact O-N 3.27Å; C289-M298 HydrophobicContact CB-SD 3.56Å; C289-M298 VanDerWaalsContact CB-SD 3.56Å
290L94.8Very high96.4Very high3 Ų322.3 Ų22.32%0.01611%0.111CC..Hα-helixtrans-63.7-32.1174.1-167.770.6000111.8P8 V10 M29 L286 D293 M298 R370P8-L290 HydrophobicContact CB-CD1 4.2Å; P8-L290 HydrophobicContact CB-CD2 4.37Å; P8-L290 HydrophobicContact CG-CD2 4.46Å; V10-L290 HydrophobicContact CG1-CD2 3.63Å; M29-L290 HydrophobicContact CE-CB 3.68Å; M29-L290 HydrophobicContact CE-CD1 4.21Å; M29-L290 HydrophobicContact CE-CD2 3.72Å; M29-L290 HydrophobicContact CE-CG 4.05Å; M29-L290 HydrophobicContact SD-CD2 4.07Å; L286-L290 WeakPolarHBondContact O-CB 3.35Å; L286-L290 PolarHBondContact O-N 2.76Å; L290-D293 PolarHBondContact O-N 3.31Å; L290-M298 HydrophobicContact CB-CE 4.04Å; L290-M298 HydrophobicContact CD1-CE 3.84Å; L290-M298 HydrophobicContact CG-CE 4.49Å; L290-R370 VanDerWaalsContact C-NH1 3.29Å; L290-R370 VanDerWaalsContact CB-NH1 3.29Å; L290-R370 VanDerWaalsContact CD2-CZ 3.5Å; L290-R370 PolarHBondContact O-NH1 3.31Å
291S92.9Very high96.6Very high12 Ų1219.7 Ų19.78%0.08410%0.095CC..Hα-helixtrans-74.1-25.8174-165.10000113.5D287 S288 C289 D293 Y345 H367D287-S291 WeakPolarHBondContact O-CB 3.4Å; D287-S291 PolarHBondContact O-N 2.67Å; S288-S291 WeakPolarHBondContact O-CB 3.47Å; S288-S291 PolarHBondContact O-N 2.88Å; S288-S291 VanDerWaalsContact O-N 3.14Å; C289-S291 VanDerWaalsContact C-N 3.25Å; C289-S291 PolarHBondContact O-N 3.42Å; S291-D293 PolarHBondContact O-N 2.74Å; S291-Y345 PolarHBondContact OG-OH 3.09Å; S291-H367 WeakPolarHBondContact CB-ND1 3.34Å; S291-H367 PolarHBondContact O-CE1 2.73Å; S291-H367 PolarHBondContact O-ND1 2.68Å; S291-H367 VanDerWaalsContact O-ND1 3.1Å; S291-H367 PolarHBondContact OG-ND1 3.03Å
292K92.6Very high96.6Very high39 Ų3919.7 Ų19.717%0.1710%0.095CC..THydrogen-bonded Turntrans-85.521.4172.7-68.1-175.9177.7-178.80112.1V258 T259 E263 S288 C289 S294 S364 H367V258-K292 HydrophobicContact CB-CB 3.9Å; V258-K292 HydrophobicContact CB-CD 4.47Å; V258-K292 HydrophobicContact CG2-CB 4.13Å; V258-K292 WeakPolarHBondContact O-CD 3.25Å; V258-K292 PolarHBondContact O-NZ 3.01Å; T259-K292 PolarHBondContact OG1-NZ 2.75Å; E263-K292 IonicContact OE2-NZ 3.57Å; S288-K292 WeakPolarHBondContact O-CG 3.2Å; S288-K292 PolarHBondContact O-N 2.85Å; C289-K292 CarbonylContact O-C 3.51Å; C289-K292 PolarHBondContact O-N 3.33Å; C289-K292 VanDerWaalsContact O-N 3.08Å; K292-S294 VanDerWaalsContact C-N 3.35Å; K292-S294 PolarHBondContact O-N 2.98Å; K292-S364 WeakPolarHBondContact CE-OG 3.39Å; K292-S364 PolarHBondContact NZ-OG 3.48Å; K292-S364 VanDerWaalsContact NZ-OG 3.16Å; K292-H367 HydrophobicContact CG-CB 3.93Å
293D93Very high96.6Very high130 Ų13019.7 Ų19.770%0.69510%0.095SC*.THydrogen-bonded Turntrans63.928.1178.6-63.7-41.5000115.4C289 L290 S291 R295C289-D293 PolarHBondContact O-N 3.22Å; L290-D293 PolarHBondContact O-N 3.31Å; S291-D293 PolarHBondContact O-N 2.74Å; D293-R295 VanDerWaalsContact O-CG 3.25Å; D293-R295 WeakPolarHBondContact O-CG 3.26Å; D293-R295 PolarHBondContact O-N 3.3Å
294S96.3Very high96.6Very high5 Ų518.4 Ų18.44%0.0359%0.089CC..  trans-60.3127.4162.6178.70000109.4G254 C289 K292G254-S294 VanDerWaalsContact O-CB 3.31Å; G254-S294 WeakPolarHBondContact O-CB 3.49Å; G254-S294 PolarHBondContact O-OG 2.99Å; C289-S294 VanDerWaalsContact O-CB 3.27Å; C289-S294 WeakPolarHBondContact O-CB 3.12Å; C289-S294 PolarHBondContact O-N 3.27Å; K292-S294 VanDerWaalsContact C-N 3.35Å; K292-S294 PolarHBondContact O-N 2.98Å
295R95.9Very high96.6Very high119 Ų11917.4 Ų17.445%0.4498%0.084SC..  trans-111.610.9-178-46.6-16885.7-1784.9112.8Y4 W32 D293Y4-R295 HydrophobicContact CD1-CB 4.25Å; Y4-R295 HydrophobicContact CE1-CB 3.61Å; Y4-R295 WeakPolarHBondContact CE1-O 3.4Å; W32-R295 HydrophobicContact CB-CB 4.12Å; W32-R295 HydrophobicContact CG-CB 4.32Å; D293-R295 VanDerWaalsContact O-CG 3.25Å; D293-R295 WeakPolarHBondContact O-CG 3.26Å; D293-R295 PolarHBondContact O-N 3.3Å
296D97.2Very high96.4Very high25 Ų2519.8 Ų19.813%0.13410%0.1CC..SBendtrans-97.4175.4-177.9-136.3-37.4000113.2R33R33-D296 IonicContact CZ-OD1 3.64Å; R33-D296 IonicContact CZ-OD2 3.55Å; R33-D296 IonicContact NE-OD1 2.97Å; R33-D296 PolarHBondContact NE-OD1 2.96Å; R33-D296 IonicContact NE-OD2 3.73Å; R33-D296 PolarHBondContact NE-OD2 3.19Å; R33-D296 IonicContact NH1-OD1 3.74Å; R33-D296 IonicContact NH2-OD1 2.84Å; R33-D296 PolarHBondContact NH2-OD1 2.87Å; R33-D296 IonicContact NH2-OD2 3.22Å; R33-D296 PolarHBondContact NH2-OD2 3.28Å
297N98.2Very high96.2Very high1 Ų120.3 Ų20.31%0.00511%0.106CC..  trans-60.8148.6154.5-65.7157.2000108.8Q30 R33 E35 M36 E37 D38Q30-N297 PolarHBondContact O-ND2 3.02Å; R33-N297 WeakPolarHBondContact CB-ND2 3.37Å; E35-N297 PolarHBondContact O-ND2 3.14Å; E35-N297 PolarHBondContact O-OD1 3.43Å; M36-N297 HydrophobicContact SD-CB 3.92Å; E37-N297 PolarHBondContact N-OD1 3.12Å; D38-N297 VanDerWaalsContact OD1-CB 3.29Å; D38-N297 WeakPolarHBondContact OD1-CB 3.28Å
298M98.6Very high96.2Very high0 Ų020.3 Ų20.30%011%0.108CC..EExtended strand (participates in β ladder)trans-136.3126178.1-71.7168.6-90.400110.2T28 M29 G254 V255 L286 C289 L290T28-M298 CarbonylContact C-O 3.45Å; T28-M298 VanDerWaalsContact CA-O 3.28Å; T28-M298 WeakPolarHBondContact CA-O 3.43Å; M29-M298 HydrophobicContact CE-CE 3.28Å; M29-M298 HydrophobicContact CE-SD 4.07Å; M29-M298 PolarHBondContact N-O 3.23Å; M29-M298 PolarHBondContact O-N 3.33Å; G254-M298 WeakPolarHBondContact O-CG 3.32Å; V255-M298 HydrophobicContact CG2-CB 4.31Å; V255-M298 HydrophobicContact CG2-CG 4.33Å; L286-M298 HydrophobicContact CD1-CB 4.49Å; L286-M298 HydrophobicContact CD2-CB 3.74Å; C289-M298 HydrophobicContact CB-SD 3.56Å; C289-M298 VanDerWaalsContact CB-SD 3.56Å; L290-M298 HydrophobicContact CB-CE 4.04Å; L290-M298 HydrophobicContact CD1-CE 3.84Å; L290-M298 HydrophobicContact CG-CE 4.49Å
299S98.7Very high96.1Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-132.8135.4174.4-63.20000109.9T28 D38 A251 C252T28-S299 WeakPolarHBondContact CG2-OG 3.39Å; D38-S299 WeakPolarHBondContact CB-OG 3.46Å; D38-S299 VanDerWaalsContact OD2-CB 3.29Å; D38-S299 WeakPolarHBondContact OD2-CB 3.39Å; D38-S299 PolarHBondContact OD2-N 3.27Å; D38-S299 PolarHBondContact OD2-OG 3.17Å; A251-S299 VanDerWaalsContact CA-O 3.22Å; A251-S299 WeakPolarHBondContact CA-O 3.49Å; A251-S299 VanDerWaalsContact CB-O 3.29Å; A251-S299 WeakPolarHBondContact CB-O 3.24Å; C252-S299 PolarHBondContact N-O 3.43Å; C252-S299 PolarHBondContact SG-N 2.8Å
300V98.7Very high95.9Very high0 Ų025 Ų250%015%0.146CC..EExtended strand (participates in β ladder)trans-138.9134.1-179.763.20000110.6V26 A27 L249 L250 A251 C282 I285 L286V26-V300 VanDerWaalsContact CA-O 3.29Å; V26-V300 WeakPolarHBondContact CA-O 3.28Å; V26-V300 WeakPolarHBondContact CG1-O 3.13Å; A27-V300 HydrophobicContact CB-CG1 4.19Å; A27-V300 PolarHBondContact N-O 3.47Å; A27-V300 PolarHBondContact O-N 3.25Å; L249-V300 HydrophobicContact CD1-CG2 3.35Å; L249-V300 HydrophobicContact CG-CG2 4.18Å; L250-V300 CarbonylContact O-C 3.53Å; L250-V300 WeakPolarHBondContact O-CA 3.16Å; A251-V300 HydrophobicContact CB-CB 4.22Å; A251-V300 HydrophobicContact CB-CG2 4.2Å; C282-V300 HydrophobicContact CB-CG1 3.66Å; I285-V300 HydrophobicContact CD1-CG2 4.17Å; L286-V300 HydrophobicContact CD2-CB 4.2Å; L286-V300 HydrophobicContact CD2-CG1 3.64Å; L286-V300 HydrophobicContact CG-CG1 4.09Å
301V98.8Very high96Very high1 Ų128.4 Ų28.41%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-118.3112.8170-179.40000107.8V26 H40 F56 V58 L249 L250 V303V26-V301 HydrophobicContact CG1-CG2 4.03Å; V26-V301 HydrophobicContact CG2-CB 4.47Å; V26-V301 HydrophobicContact CG2-CG1 4.19Å; V26-V301 HydrophobicContact CG2-CG2 3.99Å; H40-V301 HydrophobicContact CB-CG2 4.37Å; F56-V301 HydrophobicContact CB-CG1 4.06Å; F56-V301 HydrophobicContact CD1-CG1 3.75Å; F56-V301 HydrophobicContact CG-CG1 4.19Å; V58-V301 HydrophobicContact CG2-CB 4.36Å; V58-V301 HydrophobicContact CG2-CG2 3.7Å; L249-V301 WeakPolarHBondContact CA-O 3.48Å; L250-V301 HydrophobicContact CB-CB 4.26Å; L250-V301 PolarHBondContact N-O 2.84Å; L250-V301 PolarHBondContact O-N 3.3Å; V301-V303 HydrophobicContact CG1-CG2 4.13Å
302L98.8Very high96.2Very high0 Ų029.6 Ų29.60%017%0.174CC..EExtended strand (participates in β ladder)trans-103.9123.8175.6175.961.5000109.3Y24 G25 F247 L249 I268 L278 I281 C282Y24-L302 CarbonylContact C-O 3.5Å; Y24-L302 WeakPolarHBondContact CA-O 3.33Å; G25-L302 PolarHBondContact N-O 3.45Å; G25-L302 PolarHBondContact O-N 2.9Å; F247-L302 HydrophobicContact CB-CD1 4.06Å; F247-L302 HydrophobicContact CD2-CD1 3.69Å; F247-L302 HydrophobicContact CE2-CD1 4.45Å; F247-L302 HydrophobicContact CG-CD1 4.05Å; L249-L302 HydrophobicContact CD1-CB 4.07Å; L249-L302 HydrophobicContact CD1-CD1 4Å; I268-L302 HydrophobicContact CD1-CD1 4.38Å; I268-L302 HydrophobicContact CG2-CD1 3.91Å; I268-L302 HydrophobicContact CG2-CD2 4.13Å; L278-L302 HydrophobicContact CB-CD2 4.49Å; L278-L302 HydrophobicContact CD2-CD2 4.09Å; I281-L302 HydrophobicContact CB-CD2 4.08Å; I281-L302 HydrophobicContact CG2-CD2 3.78Å; C282-L302 VanDerWaalsContact SG-CB 3.51Å
303V98.5Very high96.4Very high0 Ų032.9 Ų32.90%020%0.202CC..EExtended strand (participates in β ladder)trans-115.9109.5178-173.10000108.8V22 R23 F56 I147 F247 L248 V301 L305V22-V303 HydrophobicContact CB-CG1 3.86Å; V22-V303 HydrophobicContact CG1-CG1 4.3Å; V22-V303 HydrophobicContact CG2-CG1 4.09Å; R23-V303 CarbonylContact O-C 3.58Å; R23-V303 WeakPolarHBondContact O-CA 3.41Å; F56-V303 HydrophobicContact CB-CG2 4.48Å; F56-V303 HydrophobicContact CD1-CG2 3.89Å; F56-V303 HydrophobicContact CD2-CG2 3.66Å; F56-V303 HydrophobicContact CE1-CG2 3.98Å; F56-V303 HydrophobicContact CE2-CB 4.48Å; F56-V303 HydrophobicContact CE2-CG1 3.89Å; F56-V303 HydrophobicContact CE2-CG2 3.73Å; F56-V303 HydrophobicContact CG-CG2 3.73Å; F56-V303 HydrophobicContact CZ-CG1 4.11Å; F56-V303 HydrophobicContact CZ-CG2 3.88Å; I147-V303 HydrophobicContact CD1-CG1 3.83Å; F247-V303 CarbonylContact C-O 3.53Å; F247-V303 WeakPolarHBondContact CA-O 3Å; F247-V303 VanDerWaalsContact CB-O 3.28Å; F247-V303 WeakPolarHBondContact CB-O 3.38Å; L248-V303 HydrophobicContact CB-CB 4.25Å; L248-V303 HydrophobicContact CD2-CB 4.49Å; L248-V303 HydrophobicContact CD2-CG2 4.33Å; L248-V303 PolarHBondContact N-O 3Å; L248-V303 PolarHBondContact O-N 3.26Å; V301-V303 HydrophobicContact CG1-CG2 4.13Å; V303-L305 HydrophobicContact CG1-CD2 4.49Å; V303-L305 PolarHBondContact O-N 2.86Å
304A97.6Very high96.5Very high3 Ų334 Ų343%0.02520%0.204CC..EExtended strand (participates in β ladder)trans-76121.4170.800000109.6R23 L278 A308R23-A304 HydrophobicContact CB-CB 4.4Å; R23-A304 PolarHBondContact N-O 2.93Å; R23-A304 VanDerWaalsContact N-O 3.13Å; R23-A304 PolarHBondContact O-N 3.21Å; L278-A304 HydrophobicContact CD1-CB 3.69Å; L278-A304 HydrophobicContact CD2-CB 4.11Å; A304-A308 HydrophobicContact CB-CB 3.78Å
305L96.2Very high96.5Very high5 Ų534.9 Ų34.93%0.02621%0.211CC..  trans-89.8169.6176.5-62.2164.3000108.8V22 I147 I152 E245 E246 L248 V303 G307 A308V22-L305 HydrophobicContact CG1-CD2 3.83Å; I147-L305 HydrophobicContact CD1-CD2 4.07Å; I152-L305 HydrophobicContact CD1-CD1 3.99Å; E245-L305 HydrophobicContact CG-CB 3.83Å; E245-L305 HydrophobicContact CG-CD1 3.29Å; E245-L305 HydrophobicContact CG-CG 4.07Å; E245-L305 WeakPolarHBondContact O-CB 3.44Å; E246-L305 PolarHBondContact O-N 3.39Å; L248-L305 HydrophobicContact CB-CD1 4.26Å; V303-L305 HydrophobicContact CG1-CD2 4.49Å; V303-L305 PolarHBondContact O-N 2.86Å; L305-G307 PolarHBondContact O-N 3.49Å; L305-G307 VanDerWaalsContact O-N 3.08Å; L305-A308 WeakPolarHBondContact O-CB 3.41Å; L305-A308 PolarHBondContact O-N 3.44Å
306P92.4Very high96.5Very high51 Ų5132.1 Ų32.133%0.33121%0.207SC..THydrogen-bonded Turntrans-56.8-27.6-174.3-29.637.2000115.4E242 A308E242-P306 HydrophobicContact CG-CB 3.87Å; E242-P306 VanDerWaalsContact OE1-CB 3.25Å; E242-P306 WeakPolarHBondContact OE1-CB 3.18Å; P306-A308 VanDerWaalsContact C-N 3.32Å
307G93.3Very high96.4Very high12 Ų1235.1 Ų35.112%0.12422%0.22CC..THydrogen-bonded Turntrans-83.31175.900000114.9E245 L305E245-G307 CarbonylContact O-C 3.52Å; E245-G307 WeakPolarHBondContact O-CA 3.47Å; E245-G307 PolarHBondContact O-N 3.15Å; L305-G307 PolarHBondContact O-N 3.49Å; L305-G307 VanDerWaalsContact O-N 3.08Å
308A95.1Very high96.2Very high18 Ų1839.5 Ų39.515%0.14924%0.24CC..PPolyproline II helixtrans-54136-179.900000111.6E246 A304 L305 P306 A310E246-A308 WeakPolarHBondContact O-CA 3.46Å; E246-A308 VanDerWaalsContact O-CB 3.25Å; E246-A308 WeakPolarHBondContact O-CB 3.1Å; E246-A308 PolarHBondContact O-N 3.37Å; A304-A308 HydrophobicContact CB-CB 3.78Å; L305-A308 WeakPolarHBondContact O-CB 3.41Å; L305-A308 PolarHBondContact O-N 3.44Å; P306-A308 VanDerWaalsContact C-N 3.32Å; A308-A310 PolarHBondContact O-N 2.9Å
309P94.1Very high96Very high18 Ų1840.2 Ų40.212%0.11724%0.244CC..PPolyproline II helixtrans-52.7134175.2-27.333.4000112.3L269 L272 R273L269-P309 HydrophobicContact CD2-CG 3.84Å; L272-P309 HydrophobicContact CB-CB 4.26Å; R273-P309 HydrophobicContact CG-CB 3.88Å
310A93.1Very high95.8Very high84 Ų8445.8 Ų45.869%0.69427%0.268SS*.PPolyproline II helixtrans-79.1157.7170.300000111A308 S312A308-A310 PolarHBondContact O-N 2.9Å; A310-S312 PolarHBondContact O-N 3.3Å
311V96.7Very high95.6Very high74 Ų7449.5 Ų49.545%0.44829%0.288SS..PPolyproline II helixtrans-58.8129.5173.4179.50000109.8R273 G276 V316R273-V311 CarbonylContact O-C 3.48Å; R273-V311 WeakPolarHBondContact O-CA 3.45Å; G276-V311 VanDerWaalsContact N-CG2 3.32Å; V311-V316 HydrophobicContact CG1-CG2 3.64Å
312S96.6Very high95.4Very high36 Ų3649.8 Ų49.825%0.25229%0.289SS..  trans-108.4131.2178.5170.70000110.1R273 A310 E314 A315 V316R273-S312 PolarHBondContact O-N 3.09Å; A310-S312 PolarHBondContact O-N 3.3Å; S312-E314 PolarHBondContact O-N 3.28Å; S312-E314 PolarHBondContact OG-N 3.29Å; S312-A315 PolarHBondContact O-N 2.85Å; S312-A315 VanDerWaalsContact O-N 3.13Å; S312-V316 WeakPolarHBondContact O-CG2 3.5Å; S312-V316 PolarHBondContact O-N 2.91Å
313S96.4Very high95.1Very high108 Ų10852.6 Ų52.676%0.75530%0.302SS*.Hα-helixtrans-58.2-33.5174.654.50000112.6E317S313-E317 WeakPolarHBondContact O-CB 3.44Å; S313-E317 PolarHBondContact O-N 3.42Å
314E96Very high94.9Very high155 Ų15556 Ų5672%0.72432%0.321SS*.Hα-helixtrans-66.4-44.6176.5-176.1-177.7-175.100111.4S312 E317 H318S312-E314 PolarHBondContact O-N 3.28Å; S312-E314 PolarHBondContact OG-N 3.29Å; E314-E317 PolarHBondContact O-N 2.91Å; E314-H318 WeakPolarHBondContact O-CB 3.18Å; E314-H318 PolarHBondContact O-N 2.9Å
315A95.4Very high94.7Very high22 Ų2257.9 Ų57.918%0.18233%0.332CS..Hα-helixtrans-67.7-38.4179.100000111.9R273 V274 S312 H318 E319R273-A315 HydrophobicContact CB-CB 3.78Å; R273-A315 WeakPolarHBondContact O-CB 3.18Å; V274-A315 HydrophobicContact CG2-CB 4.11Å; S312-A315 PolarHBondContact O-N 2.85Å; S312-A315 VanDerWaalsContact O-N 3.13Å; A315-H318 PolarHBondContact O-N 3.21Å; A315-E319 WeakPolarHBondContact O-CB 3.31Å; A315-E319 PolarHBondContact O-N 3.38Å
316V95.6Very high94.7Very high61 Ų6157.7 Ų57.737%0.3733%0.33SS..Hα-helixtrans-64.1-43.5175.2173.80000111.5V311 S312 E319 K320V311-V316 HydrophobicContact CG1-CG2 3.64Å; S312-V316 WeakPolarHBondContact O-CG2 3.5Å; S312-V316 PolarHBondContact O-N 2.91Å; V316-E319 PolarHBondContact O-N 2.91Å; V316-K320 PolarHBondContact O-N 3.47Å
317E95.9Very high94.8Very high89 Ų8958.9 Ų58.942%0.41633%0.329SS..Hα-helixtrans-68.1-38.4177.5-173.859.3-16000111.6S313 E314 K320 N321S313-E317 WeakPolarHBondContact O-CB 3.44Å; S313-E317 PolarHBondContact O-N 3.42Å; E314-E317 PolarHBondContact O-N 2.91Å; E317-K320 PolarHBondContact O-N 3.02Å; E317-N321 PolarHBondContact O-N 2.86Å; E317-N321 PolarHBondContact O-ND2 3.39Å; E317-N321 VanDerWaalsContact O-ND2 3.12Å
318H94.3Very high94.8Very high93 Ų9364.2 Ų64.243%0.43135%0.35SS..Hα-helixtrans-59.9-45.4173.1-178.176.8000112.1E314 A315 K320 N321 L322 G359E314-H318 WeakPolarHBondContact O-CB 3.18Å; E314-H318 PolarHBondContact O-N 2.9Å; A315-H318 PolarHBondContact O-N 3.21Å; H318-K320 VanDerWaalsContact C-N 3.33Å; H318-K320 PolarHBondContact O-N 2.79Å; H318-N321 PolarHBondContact O-N 2.95Å; H318-L322 PolarHBondContact O-N 2.85Å; H318-G359 VanDerWaalsContact CE1-CA 3.41Å; H318-G359 WeakPolarHBondContact CE1-CA 3.5Å; H318-G359 WeakPolarHBondContact NE2-CA 3.33Å; H318-G359 PolarHBondContact NE2-O 2.72Å
319E93.5Very high94.7Very high15 Ų1568.8 Ų68.87%0.0736%0.364CS..Hα-helixtrans-59.8-42.2175.7-178.874.9176.300112R271 V274 A315 V316 L322 E323 K372R271-E319 IonicContact CZ-OE1 3.34Å; R271-E319 IonicContact NH1-OE1 2.66Å; R271-E319 PolarHBondContact NH1-OE1 2.93Å; R271-E319 IonicContact NH1-OE2 3.18Å; R271-E319 PolarHBondContact NH1-OE2 3.11Å; R271-E319 IonicContact NH2-OE1 3.36Å; R271-E319 PolarHBondContact NH2-OE1 3.18Å; V274-E319 HydrophobicContact CG1-CB 3.97Å; V274-E319 HydrophobicContact CG1-CG 3.8Å; V274-E319 HydrophobicContact CG2-CB 4.32Å; A315-E319 WeakPolarHBondContact O-CB 3.31Å; A315-E319 PolarHBondContact O-N 3.38Å; V316-E319 PolarHBondContact O-N 2.91Å; E319-L322 PolarHBondContact O-N 2.98Å; E319-E323 PolarHBondContact O-N 3.21Å; E319-K372 WeakPolarHBondContact OE1-CE 3.49Å; E319-K372 IonicContact OE1-NZ 2.88Å; E319-K372 PolarHBondContact OE1-NZ 3.33Å
320K93.8Very high94.7Very high117 Ų11768 Ų6851%0.50936%0.358SS..Hα-helixtrans-64.7-41.7177.6-176.9-175.9174-166.60111.9V316 E317 H318 E323 N324V316-K320 PolarHBondContact O-N 3.47Å; E317-K320 PolarHBondContact O-N 3.02Å; H318-K320 VanDerWaalsContact C-N 3.33Å; H318-K320 PolarHBondContact O-N 2.79Å; K320-E323 PolarHBondContact O-N 2.87Å; K320-N324 PolarHBondContact O-N 3.44Å; K320-N324 VanDerWaalsContact O-N 3.1Å; K320-N324 PolarHBondContact O-ND2 2.94Å
321N95.2Very high94.7Very high78 Ų7866 Ų6642%0.41733%0.334SS..Hα-helixtrans-63.6-42.7175.8-72.6-35.6000111.6E317 H318 E323 N324 V325E317-N321 PolarHBondContact O-N 2.86Å; E317-N321 PolarHBondContact O-ND2 3.39Å; E317-N321 VanDerWaalsContact O-ND2 3.12Å; H318-N321 PolarHBondContact O-N 2.95Å; N321-E323 VanDerWaalsContact C-N 3.34Å; N321-E323 PolarHBondContact O-N 3.2Å; N321-N324 PolarHBondContact O-N 3.2Å; N321-V325 WeakPolarHBondContact O-CG2 3.39Å; N321-V325 PolarHBondContact O-N 3.43Å
322L94.1Very high94.6Very high6 Ų664.4 Ų64.43%0.03133%0.327CS..Hα-helixtrans-59.9-43174.2178.161.9000112H318 E319 N324 V325 L326 I357 G359 L360 L369H318-L322 PolarHBondContact O-N 2.85Å; E319-L322 PolarHBondContact O-N 2.98Å; L322-N324 VanDerWaalsContact C-N 3.32Å; L322-N324 PolarHBondContact O-N 2.99Å; L322-V325 PolarHBondContact O-N 2.74Å; L322-L326 HydrophobicContact CD1-CG 4.49Å; L322-L326 HydrophobicContact CG-CD1 4.44Å; L322-L326 WeakPolarHBondContact O-CG 3.32Å; L322-L326 PolarHBondContact O-N 2.66Å; L322-I357 HydrophobicContact CD1-CG2 3.77Å; L322-G359 WeakPolarHBondContact CD2-O 3.19Å; L322-L360 HydrophobicContact CD1-CD2 4.25Å; L322-L369 HydrophobicContact CD2-CD1 3.62Å; L322-L369 HydrophobicContact CD2-CD2 4.49Å; L322-L369 HydrophobicContact CG-CD1 4.2Å
323E93.4Very high94.4Very high60 Ų6062.9 Ų62.928%0.2832%0.316SS..Hα-helixtrans-61.7-39.6177.5-167.7176.9136.500112.4E319 K320 N321 L326 R327 K372 I376E319-E323 PolarHBondContact O-N 3.21Å; K320-E323 PolarHBondContact O-N 2.87Å; N321-E323 VanDerWaalsContact C-N 3.34Å; N321-E323 PolarHBondContact O-N 3.2Å; E323-L326 PolarHBondContact O-N 3.48Å; E323-R327 WeakPolarHBondContact O-CB 3.1Å; E323-R327 PolarHBondContact O-N 2.79Å; E323-R327 IonicContact OE1-NH2 3.62Å; E323-K372 IonicContact OE2-NZ 2.79Å; E323-K372 PolarHBondContact OE2-NZ 3.4Å; E323-I376 HydrophobicContact CG-CD1 4.02Å
324N94.3Very high94.1Very high71 Ų7158 Ų5838%0.3828%0.281SS..Hα-helixtrans-63.5-45.2174.7-68.8-29.2000111.7K320 N321 L322 L326 R327 E328K320-N324 PolarHBondContact O-N 3.44Å; K320-N324 VanDerWaalsContact O-N 3.1Å; K320-N324 PolarHBondContact O-ND2 2.94Å; N321-N324 PolarHBondContact O-N 3.2Å; L322-N324 VanDerWaalsContact C-N 3.32Å; L322-N324 PolarHBondContact O-N 2.99Å; N324-L326 VanDerWaalsContact C-N 3.33Å; N324-L326 PolarHBondContact O-N 3Å; N324-R327 WeakPolarHBondContact O-CB 3.34Å; N324-R327 PolarHBondContact O-N 3.48Å; N324-E328 PolarHBondContact O-N 2.89Å
325V94.5Very high93.8Very high43 Ų4357.5 Ų57.526%0.26128%0.279SS..Hα-helixtrans-59-46175.9172.50000110.6N321 L322 R327 E328 R329 I357N321-V325 WeakPolarHBondContact O-CG2 3.39Å; N321-V325 PolarHBondContact O-N 3.43Å; L322-V325 PolarHBondContact O-N 2.74Å; V325-R327 VanDerWaalsContact C-N 3.33Å; V325-R327 PolarHBondContact O-N 3.49Å; V325-E328 PolarHBondContact O-N 2.68Å; V325-R329 HydrophobicContact CG1-CG 4.41Å; V325-R329 VanDerWaalsContact O-CG 3.31Å; V325-R329 WeakPolarHBondContact O-CG 3.12Å; V325-R329 PolarHBondContact O-N 3.08Å; V325-I357 HydrophobicContact CG1-CG2 4.33Å
326L94.4Very high93.5Very high0 Ų063.6 Ų63.60%030%0.302CS..Hα-helixtrans-60.4-42.3176.7-73.5176.7000112L322 E323 N324 R329 I330 L352 I357 L366 L369 I376L322-L326 HydrophobicContact CD1-CG 4.49Å; L322-L326 HydrophobicContact CG-CD1 4.44Å; L322-L326 WeakPolarHBondContact O-CG 3.32Å; L322-L326 PolarHBondContact O-N 2.66Å; E323-L326 PolarHBondContact O-N 3.48Å; N324-L326 VanDerWaalsContact C-N 3.33Å; N324-L326 PolarHBondContact O-N 3Å; L326-R329 PolarHBondContact O-N 3.18Å; L326-I330 HydrophobicContact CB-CD1 4.46Å; L326-I330 WeakPolarHBondContact O-CB 3.42Å; L326-I330 WeakPolarHBondContact O-CD1 3.46Å; L326-I330 WeakPolarHBondContact O-CG1 3.47Å; L326-I330 PolarHBondContact O-N 3.33Å; L326-L352 HydrophobicContact CD2-CD1 4.35Å; L326-I357 HydrophobicContact CD2-CD1 4Å; L326-I357 HydrophobicContact CD2-CG2 4.44Å; L326-L366 HydrophobicContact CD2-CD1 3.98Å; L326-L369 HydrophobicContact CD1-CB 4.33Å; L326-L369 HydrophobicContact CD1-CD1 3.7Å; L326-I376 HydrophobicContact CB-CD1 4.07Å
327R94.6Very high93Very high77 Ų7761.7 Ų61.729%0.29129%0.291SS..Hα-helixtrans-59.2-49.4177.6-171.2177.7-60.7-77.4-1.8111.8E323 N324 V325 R329 I330 E331 I376E323-R327 WeakPolarHBondContact O-CB 3.1Å; E323-R327 PolarHBondContact O-N 2.79Å; E323-R327 IonicContact OE1-NH2 3.62Å; N324-R327 WeakPolarHBondContact O-CB 3.34Å; N324-R327 PolarHBondContact O-N 3.48Å; V325-R327 VanDerWaalsContact C-N 3.33Å; V325-R327 PolarHBondContact O-N 3.49Å; R327-R329 PolarHBondContact O-N 3.01Å; R327-I330 PolarHBondContact O-N 2.86Å; R327-E331 WeakPolarHBondContact O-CB 3.42Å; R327-E331 VanDerWaalsContact O-CG 3.28Å; R327-E331 WeakPolarHBondContact O-CG 3.48Å; R327-E331 PolarHBondContact O-N 2.94Å; R327-I376 HydrophobicContact CB-CG2 4.25Å; R327-I376 HydrophobicContact CG-CG2 4.21Å
328E94.2Very high92.2Very high124 Ų12467 Ų6758%0.57932%0.315SS*.Hα-helixtrans-61.2-42.6177.9-68.9176.9-179.300112.3N324 V325 S332N324-E328 PolarHBondContact O-N 2.89Å; V325-E328 PolarHBondContact O-N 2.68Å; E328-S332 PolarHBondContact O-N 2.9Å
329R93.7Very high91.5Very high114 Ų11466 Ų6643%0.4331%0.313SS..Hα-helixtrans-66.4-45.5178.3-66.9-56.7-170.3-138-4.9112.2V325 L326 R327 S332 I333 L352 E355V325-R329 HydrophobicContact CG1-CG 4.41Å; V325-R329 VanDerWaalsContact O-CG 3.31Å; V325-R329 WeakPolarHBondContact O-CG 3.12Å; V325-R329 PolarHBondContact O-N 3.08Å; L326-R329 PolarHBondContact O-N 3.18Å; R327-R329 PolarHBondContact O-N 3.01Å; R329-S332 PolarHBondContact O-N 3.05Å; R329-I333 VanDerWaalsContact O-CG1 3.28Å; R329-I333 WeakPolarHBondContact O-CG1 3.46Å; R329-I333 PolarHBondContact O-N 3.49Å; R329-L352 HydrophobicContact CB-CD2 3.65Å; R329-L352 HydrophobicContact CG-CD2 4.46Å; R329-E355 WeakPolarHBondContact CD-OE2 3.38Å; R329-E355 IonicContact NE-OE2 2.68Å; R329-E355 PolarHBondContact NE-OE2 2.75Å
330I94Very high90.8Very high0 Ų066.4 Ų66.40%032%0.319CS..Hα-helixtrans-64.8-41.7178.9-64.6165.9000110.1L326 R327 S332 I333 V334 V348 L352 V373 I376 L377 I380L326-I330 HydrophobicContact CB-CD1 4.46Å; L326-I330 WeakPolarHBondContact O-CB 3.42Å; L326-I330 WeakPolarHBondContact O-CD1 3.46Å; L326-I330 WeakPolarHBondContact O-CG1 3.47Å; L326-I330 PolarHBondContact O-N 3.33Å; R327-I330 PolarHBondContact O-N 2.86Å; I330-S332 PolarHBondContact O-N 3.27Å; I330-I333 PolarHBondContact O-N 3.17Å; I330-V334 HydrophobicContact CG2-CG2 4.25Å; I330-V334 VanDerWaalsContact O-CG2 3.27Å; I330-V334 WeakPolarHBondContact O-CG2 3.49Å; I330-V334 PolarHBondContact O-N 3.05Å; I330-V348 HydrophobicContact CD1-CG1 4.43Å; I330-V348 HydrophobicContact CG1-CG1 3.82Å; I330-V348 HydrophobicContact CG2-CG1 4.23Å; I330-L352 HydrophobicContact CD1-CD1 4.38Å; I330-L352 HydrophobicContact CG1-CD1 4.02Å; I330-V373 HydrophobicContact CD1-CB 4.39Å; I330-V373 HydrophobicContact CD1-CG1 4Å; I330-V373 HydrophobicContact CD1-CG2 4.36Å; I330-I376 HydrophobicContact CB-CG2 4.14Å; I330-I376 HydrophobicContact CD1-CB 4.01Å; I330-I376 HydrophobicContact CD1-CD1 4.38Å; I330-I376 HydrophobicContact CD1-CG2 3.65Å; I330-I376 HydrophobicContact CG1-CG2 4.48Å; I330-I376 HydrophobicContact CG2-CG2 4.25Å; I330-L377 HydrophobicContact CG2-CB 4.38Å; I330-L377 HydrophobicContact CG2-CD1 4.08Å; I330-I380 HydrophobicContact CB-CD1 4.02Å; I330-I380 HydrophobicContact CG2-CD1 3.58Å
331E93.4Very high90.2Very high42 Ų4266.9 Ų66.920%0.19632%0.323CS..Hα-helixtrans-56.4-48.7173.3-75.6-178.3164.900111.3R327 I333 V334 E335 I380 R383R327-E331 WeakPolarHBondContact O-CB 3.42Å; R327-E331 VanDerWaalsContact O-CG 3.28Å; R327-E331 WeakPolarHBondContact O-CG 3.48Å; R327-E331 PolarHBondContact O-N 2.94Å; E331-I333 VanDerWaalsContact C-N 3.31Å; E331-I333 PolarHBondContact O-N 3.01Å; E331-V334 PolarHBondContact O-N 3Å; E331-E335 WeakPolarHBondContact O-CG 3.19Å; E331-E335 PolarHBondContact O-N 3.42Å; E331-I380 HydrophobicContact CB-CD1 4.39Å; E331-I380 HydrophobicContact CG-CD1 3.45Å; E331-I380 VanDerWaalsContact CG-CD1 3.45Å; E331-I380 HydrophobicContact CG-CG1 3.75Å; E331-I380 HydrophobicContact CG-CG2 4.4Å; E331-R383 VanDerWaalsContact CD-NH2 3.28Å; E331-R383 IonicContact OE1-CZ 3.2Å; E331-R383 IonicContact OE1-NH1 2.76Å; E331-R383 PolarHBondContact OE1-NH1 3.19Å; E331-R383 IonicContact OE1-NH2 2.76Å; E331-R383 PolarHBondContact OE1-NH2 2.92Å; E331-R383 IonicContact OE2-NH2 3.95Å
332S92.8Very high89.7Confident42 Ų4268.1 Ų68.129%0.29433%0.329SS..Hα-helixtrans-61.6-35.7177.2-172.60000113.4E328 R329 I330 K336E328-S332 PolarHBondContact O-N 2.9Å; R329-S332 PolarHBondContact O-N 3.05Å; I330-S332 PolarHBondContact O-N 3.27Å; S332-K336 WeakPolarHBondContact O-CD 3.26Å; S332-K336 VanDerWaalsContact O-CG 3.28Å; S332-K336 WeakPolarHBondContact O-CG 3.22Å; S332-K336 PolarHBondContact O-N 2.79Å; S332-K336 PolarHBondContact OG-NZ 3.07Å
333I92.4Very high89.4Confident4 Ų467.8 Ų67.82%0.02133%0.328CS..Hα-helixtrans-67.4-46.4175.9-67.5163.9000110.2R329 I330 E331 E335 K336 C337 Y347 V348 T351 L352R329-I333 VanDerWaalsContact O-CG1 3.28Å; R329-I333 WeakPolarHBondContact O-CG1 3.46Å; R329-I333 PolarHBondContact O-N 3.49Å; I330-I333 PolarHBondContact O-N 3.17Å; E331-I333 VanDerWaalsContact C-N 3.31Å; E331-I333 PolarHBondContact O-N 3.01Å; I333-E335 PolarHBondContact O-N 2.56Å; I333-K336 PolarHBondContact O-N 2.86Å; I333-C337 PolarHBondContact O-N 2.78Å; I333-C337 PolarHBondContact O-SG 3.22Å; I333-Y347 HydrophobicContact CG2-CD1 4.07Å; I333-Y347 HydrophobicContact CG2-CE1 3.75Å; I333-V348 HydrophobicContact CD1-CG1 4.41Å; I333-V348 HydrophobicContact CG2-CG2 4.18Å; I333-T351 HydrophobicContact CD1-CG2 3.8Å; I333-T351 HydrophobicContact CG1-CG2 3.84Å; I333-L352 HydrophobicContact CD1-CD2 3.73Å; I333-L352 HydrophobicContact CD1-CG 3.86Å
334V91.1Very high89.2Confident4 Ų467.8 Ų67.82%0.02433%0.332CS..Hα-helixtrans-64.2-40.4-179.4175.70000111.1I330 E331 K336 C337 A340 A343 L377 I380 L384I330-V334 HydrophobicContact CG2-CG2 4.25Å; I330-V334 VanDerWaalsContact O-CG2 3.27Å; I330-V334 WeakPolarHBondContact O-CG2 3.49Å; I330-V334 PolarHBondContact O-N 3.05Å; E331-V334 PolarHBondContact O-N 3Å; V334-K336 VanDerWaalsContact C-N 3.26Å; V334-K336 PolarHBondContact O-N 3.37Å; V334-C337 WeakPolarHBondContact O-CB 3.43Å; V334-C337 PolarHBondContact O-N 2.6Å; V334-C337 VanDerWaalsContact O-N 3.12Å; V334-A340 HydrophobicContact CG1-CB 4.01Å; V334-A343 HydrophobicContact CB-CB 4.41Å; V334-A343 HydrophobicContact CG2-CB 3.77Å; V334-L377 HydrophobicContact CG2-CD1 3.78Å; V334-I380 HydrophobicContact CB-CG2 4.24Å; V334-I380 HydrophobicContact CG1-CG2 4.09Å; V334-I380 HydrophobicContact CG2-CG2 4.21Å; V334-L384 HydrophobicContact CG1-CD1 3.46Å; V334-L384 VanDerWaalsContact CG1-CD1 3.46Å
335E89.5Confident88.9Confident146 Ų14666.4 Ų66.468%0.68232%0.321SS*.Hα-helixtrans-64-28.3176.6-74.3176.2175.600113.6E331 I333 C337E331-E335 WeakPolarHBondContact O-CG 3.19Å; E331-E335 PolarHBondContact O-N 3.42Å; I333-E335 PolarHBondContact O-N 2.56Å; E335-C337 VanDerWaalsContact C-N 3.32Å
336K88.7Confident88.6Confident150 Ų15071.6 Ų71.665%0.65234%0.343SS*.Hα-helixtrans-79.3-15.5175.5-71.4167.8-173.3163.40112.9S332 I333 V334S332-K336 WeakPolarHBondContact O-CD 3.26Å; S332-K336 VanDerWaalsContact O-CG 3.28Å; S332-K336 WeakPolarHBondContact O-CG 3.22Å; S332-K336 PolarHBondContact O-N 2.79Å; S332-K336 PolarHBondContact OG-NZ 3.07Å; I333-K336 PolarHBondContact O-N 2.86Å; V334-K336 VanDerWaalsContact C-N 3.26Å; V334-K336 PolarHBondContact O-N 3.37Å
337C86.3Confident88.4Confident21 Ų2176.7 Ų76.714%0.14236%0.363CS..SBendtrans-80.3135.7174.5-65.90000110I333 V334 E335 N339 Y347I333-C337 PolarHBondContact O-N 2.78Å; I333-C337 PolarHBondContact O-SG 3.22Å; V334-C337 WeakPolarHBondContact O-CB 3.43Å; V334-C337 PolarHBondContact O-N 2.6Å; V334-C337 VanDerWaalsContact O-N 3.12Å; E335-C337 VanDerWaalsContact C-N 3.32Å; C337-N339 WeakPolarHBondContact CB-O 3.37Å; C337-N339 PolarHBondContact O-N 2.78Å; C337-N339 VanDerWaalsContact O-N 3.16Å; C337-Y347 VanDerWaalsContact SG-CE1 3.56Å
338E78.3Confident88.3Confident199 Ų19973 Ų7393%0.9335%0.349SS*.SBendtrans-60.2-26.4175.1-63.5-179.5171.400112.6
339N79.7Confident88.1Confident72 Ų7267.6 Ų67.639%0.38533%0.325SS..SBendtrans-140.6132.5175.8177-2.4000109.2C337 E341 L342C337-N339 WeakPolarHBondContact CB-O 3.37Å; C337-N339 PolarHBondContact O-N 2.78Å; C337-N339 VanDerWaalsContact O-N 3.16Å; N339-E341 PolarHBondContact ND2-OE2 2.87Å; N339-E341 PolarHBondContact O-N 2.88Å; N339-E341 VanDerWaalsContact O-N 3.14Å; N339-E341 PolarHBondContact OD1-N 3.3Å; N339-L342 HydrophobicContact CB-CD1 4.09Å; N339-L342 HydrophobicContact CB-CG 4.14Å; N339-L342 VanDerWaalsContact O-CB 3.31Å; N339-L342 WeakPolarHBondContact O-CB 3.36Å; N339-L342 PolarHBondContact O-N 2.88Å
340A79.5Confident88Confident24 Ų2468.3 Ų68.320%0.19833%0.331CS..THydrogen-bonded Turntrans-59.1-23.6178.100000113.7V334 L342 A343 R381 L384V334-A340 HydrophobicContact CG1-CB 4.01Å; A340-L342 VanDerWaalsContact C-N 3.3Å; A340-A343 PolarHBondContact O-N 2.98Å; A340-R381 HydrophobicContact CB-CG 4.47Å; A340-R381 PolarHBondContact O-NE 3.27Å; A340-R381 VanDerWaalsContact O-NE 3.12Å; A340-R381 PolarHBondContact O-NH2 3.01Å; A340-L384 HydrophobicContact CB-CD1 3.97Å
341E81.1Confident87.9Confident128 Ų12869.6 Ų69.660%0.59834%0.339SS*.THydrogen-bonded Turntrans-68.8-28.7174.3-64.6-178.8158.400112.6N339 A343 R381N339-E341 PolarHBondContact ND2-OE2 2.87Å; N339-E341 PolarHBondContact O-N 2.88Å; N339-E341 VanDerWaalsContact O-N 3.14Å; N339-E341 PolarHBondContact OD1-N 3.3Å; E341-A343 VanDerWaalsContact C-N 3.26Å; E341-A343 PolarHBondContact O-N 3.13Å; E341-R381 PolarHBondContact O-NH2 3.44Å; E341-R381 VanDerWaalsContact O-NH2 3.09Å
342L84.4Confident87.9Confident103 Ų10367.7 Ų67.754%0.53933%0.33SS..THydrogen-bonded Turntrans-70.8-23.1176.7-64.2172.4000112.6N339 A340 T344N339-L342 HydrophobicContact CB-CD1 4.09Å; N339-L342 HydrophobicContact CB-CG 4.14Å; N339-L342 VanDerWaalsContact O-CB 3.31Å; N339-L342 WeakPolarHBondContact O-CB 3.36Å; N339-L342 PolarHBondContact O-N 2.88Å; A340-L342 VanDerWaalsContact C-N 3.3Å; L342-T344 PolarHBondContact O-N 3.28Å
343A87.3Confident87.8Confident0 Ų070.2 Ų70.20%034%0.338CS..  trans-74.258.7174.700000111.1V334 A340 E341 V348 L377 R381V334-A343 HydrophobicContact CB-CB 4.41Å; V334-A343 HydrophobicContact CG2-CB 3.77Å; A340-A343 PolarHBondContact O-N 2.98Å; E341-A343 VanDerWaalsContact C-N 3.26Å; E341-A343 PolarHBondContact O-N 3.13Å; A343-V348 HydrophobicContact CB-CG2 4.25Å; A343-L377 HydrophobicContact CB-CD1 4.44Å; A343-L377 WeakPolarHBondContact O-CD2 3.46Å; A343-R381 PolarHBondContact O-NH2 3.22Å
344T89.3Confident87.7Confident60 Ų6079.2 Ų79.237%0.36837%0.372SS..  trans-62.7158.1177.765.70000110.7L342 Q346 Y347 V348L342-T344 PolarHBondContact O-N 3.28Å; T344-Q346 PolarHBondContact O-N 3.38Å; T344-Y347 WeakPolarHBondContact O-CB 3.14Å; T344-Y347 PolarHBondContact O-N 2.99Å; T344-Y347 WeakPolarHBondContact OG1-CB 3.24Å; T344-Y347 PolarHBondContact OG1-N 3.1Å; T344-V348 WeakPolarHBondContact O-CG2 3.12Å; T344-V348 PolarHBondContact O-N 2.96Å
345Y88.5Confident87.6Confident41 Ų4182.2 Ų82.216%0.16139%0.386CS..Hα-helixtrans-49-47.7174.3172.8-98.8000111.8S291 Y347 V348 V349 R370 V373 E374S291-Y345 PolarHBondContact OG-OH 3.09Å; Y345-Y347 VanDerWaalsContact C-N 3.33Å; Y345-Y347 PolarHBondContact O-N 3.14Å; Y345-V348 PolarHBondContact O-N 3Å; Y345-V349 HydrophobicContact CD1-CG2 4.33Å; Y345-V349 HydrophobicContact CD2-CG2 3.95Å; Y345-V349 HydrophobicContact CE1-CG2 3.91Å; Y345-V349 HydrophobicContact CE2-CG2 3.49Å; Y345-V349 VanDerWaalsContact CE2-CG2 3.49Å; Y345-V349 HydrophobicContact CG-CG2 4.35Å; Y345-V349 VanDerWaalsContact CZ-CG2 3.46Å; Y345-V349 WeakPolarHBondContact O-CB 3.41Å; Y345-V349 WeakPolarHBondContact O-CG2 3.12Å; Y345-V349 PolarHBondContact O-N 2.84Å; Y345-R370 HydrophobicContact CE2-CB 4.42Å; Y345-R370 HydrophobicContact CE2-CG 3.9Å; Y345-R370 VanDerWaalsContact OH-CB 3.3Å; Y345-R370 WeakPolarHBondContact OH-CB 3.29Å; Y345-R370 VanDerWaalsContact OH-CG 3.28Å; Y345-R370 WeakPolarHBondContact OH-CG 3.45Å; Y345-V373 HydrophobicContact CD2-CG1 4.1Å; Y345-V373 HydrophobicContact CE2-CB 4.26Å; Y345-V373 HydrophobicContact CE2-CG1 3.99Å; Y345-E374 HydrophobicContact CD2-CG 3.45Å; Y345-E374 VanDerWaalsContact CD2-CG 3.45Å; Y345-E374 HydrophobicContact CE2-CG 3.77Å; Y345-E374 HydrophobicContact CG-CG 4.23Å
346Q87.7Confident87.5Confident153 Ų15384.5 Ų84.572%0.71540%0.396SS*.Hα-helixtrans-60-41.2178.8-69178.9-27.200112.5T344 K350T344-Q346 PolarHBondContact O-N 3.38Å; Q346-K350 WeakPolarHBondContact O-CB 3.37Å; Q346-K350 PolarHBondContact O-N 3.26Å
347Y90.1Very high87.6Confident106 Ų10678.1 Ų78.142%0.41637%0.369SS..Hα-helixtrans-67.3-45.2177.5180-99.2000112I333 C337 T344 Y345 K350 T351I333-Y347 HydrophobicContact CG2-CD1 4.07Å; I333-Y347 HydrophobicContact CG2-CE1 3.75Å; C337-Y347 VanDerWaalsContact SG-CE1 3.56Å; T344-Y347 WeakPolarHBondContact O-CB 3.14Å; T344-Y347 PolarHBondContact O-N 2.99Å; T344-Y347 WeakPolarHBondContact OG1-CB 3.24Å; T344-Y347 PolarHBondContact OG1-N 3.1Å; Y345-Y347 VanDerWaalsContact C-N 3.33Å; Y345-Y347 PolarHBondContact O-N 3.14Å; Y347-K350 PolarHBondContact O-N 2.86Å; Y347-T351 WeakPolarHBondContact O-CB 2.99Å; Y347-T351 PolarHBondContact O-N 3.06Å; Y347-T351 PolarHBondContact O-OG1 2.83Å
348V92.3Very high87.6Confident0 Ų081.8 Ų81.80%039%0.393CS..Hα-helixtrans-61.5-52.1178.9171.30000110.3I330 I333 A343 T344 Y345 K350 T351 L352 V373 L377I330-V348 HydrophobicContact CD1-CG1 4.43Å; I330-V348 HydrophobicContact CG1-CG1 3.82Å; I330-V348 HydrophobicContact CG2-CG1 4.23Å; I333-V348 HydrophobicContact CD1-CG1 4.41Å; I333-V348 HydrophobicContact CG2-CG2 4.18Å; A343-V348 HydrophobicContact CB-CG2 4.25Å; T344-V348 WeakPolarHBondContact O-CG2 3.12Å; T344-V348 PolarHBondContact O-N 2.96Å; Y345-V348 PolarHBondContact O-N 3Å; V348-K350 PolarHBondContact O-N 3.18Å; V348-T351 WeakPolarHBondContact O-CB 3.39Å; V348-T351 PolarHBondContact O-N 2.84Å; V348-T351 VanDerWaalsContact O-N 3.08Å; V348-L352 HydrophobicContact CG1-CD1 3.79Å; V348-L352 HydrophobicContact CG1-CG 4.25Å; V348-L352 WeakPolarHBondContact O-CG 3.42Å; V348-L352 PolarHBondContact O-N 2.97Å; V348-V373 HydrophobicContact CG1-CG1 4.05Å; V348-L377 HydrophobicContact CG2-CD1 4.03Å; V348-L377 HydrophobicContact CG2-CD2 4.14Å
349V90.7Very high88.1Confident11 Ų1173.7 Ų73.77%0.06736%0.363CS..Hα-helixtrans-61.4-44.4179.3171.40000111.5Y345 T351 L352 M353 L366 V373Y345-V349 HydrophobicContact CD1-CG2 4.33Å; Y345-V349 HydrophobicContact CD2-CG2 3.95Å; Y345-V349 HydrophobicContact CE1-CG2 3.91Å; Y345-V349 HydrophobicContact CE2-CG2 3.49Å; Y345-V349 VanDerWaalsContact CE2-CG2 3.49Å; Y345-V349 HydrophobicContact CG-CG2 4.35Å; Y345-V349 VanDerWaalsContact CZ-CG2 3.46Å; Y345-V349 WeakPolarHBondContact O-CB 3.41Å; Y345-V349 WeakPolarHBondContact O-CG2 3.12Å; Y345-V349 PolarHBondContact O-N 2.84Å; V349-T351 PolarHBondContact O-N 2.77Å; V349-L352 PolarHBondContact O-N 3.05Å; V349-M353 HydrophobicContact CG1-CE 3.54Å; V349-M353 HydrophobicContact CG1-CG 4.2Å; V349-M353 HydrophobicContact CG1-SD 3.91Å; V349-M353 WeakPolarHBondContact O-CB 3.44Å; V349-M353 VanDerWaalsContact O-CG 3.24Å; V349-M353 WeakPolarHBondContact O-CG 3.25Å; V349-M353 PolarHBondContact O-N 2.68Å; V349-L366 HydrophobicContact CG1-CD2 4.12Å; V349-V373 HydrophobicContact CG2-CG1 4.18Å
350K90.7Very high88.7Confident128 Ų12873 Ų7356%0.55736%0.359SS*.Hα-helixtrans-60.1-30.8176.3-176.8176.1-177.9175.60112.8Q346 Y347 V348 R354Q346-K350 WeakPolarHBondContact O-CB 3.37Å; Q346-K350 PolarHBondContact O-N 3.26Å; Y347-K350 PolarHBondContact O-N 2.86Å; V348-K350 PolarHBondContact O-N 3.18Å; K350-R354 WeakPolarHBondContact O-CG 3.21Å
351T92.6Very high89.1Confident28 Ų2872.3 Ų72.317%0.17235%0.352CS..Hα-helixtrans-78.6-47.5177-54.70000110.9I333 Y347 V348 V349 M353 R354I333-T351 HydrophobicContact CD1-CG2 3.8Å; I333-T351 HydrophobicContact CG1-CG2 3.84Å; Y347-T351 WeakPolarHBondContact O-CB 2.99Å; Y347-T351 PolarHBondContact O-N 3.06Å; Y347-T351 PolarHBondContact O-OG1 2.83Å; V348-T351 WeakPolarHBondContact O-CB 3.39Å; V348-T351 PolarHBondContact O-N 2.84Å; V348-T351 VanDerWaalsContact O-N 3.08Å; V349-T351 PolarHBondContact O-N 2.77Å; T351-M353 VanDerWaalsContact C-N 3.3Å; T351-M353 PolarHBondContact O-N 2.9Å; T351-R354 WeakPolarHBondContact O-CB 3.18Å; T351-R354 PolarHBondContact O-N 2.91Å
352L93Very high89.6Confident1 Ų169 Ų691%0.00534%0.342CS..Hα-helixtrans-59.6-37176.3-70.1175.4000112.6L326 R329 I330 I333 V348 V349 R354 E355 I357 L366 V373L326-L352 HydrophobicContact CD2-CD1 4.35Å; R329-L352 HydrophobicContact CB-CD2 3.65Å; R329-L352 HydrophobicContact CG-CD2 4.46Å; I330-L352 HydrophobicContact CD1-CD1 4.38Å; I330-L352 HydrophobicContact CG1-CD1 4.02Å; I333-L352 HydrophobicContact CD1-CD2 3.73Å; I333-L352 HydrophobicContact CD1-CG 3.86Å; V348-L352 HydrophobicContact CG1-CD1 3.79Å; V348-L352 HydrophobicContact CG1-CG 4.25Å; V348-L352 WeakPolarHBondContact O-CG 3.42Å; V348-L352 PolarHBondContact O-N 2.97Å; V349-L352 PolarHBondContact O-N 3.05Å; L352-R354 PolarHBondContact O-N 2.84Å; L352-R354 VanDerWaalsContact O-N 3.16Å; L352-E355 PolarHBondContact O-N 2.83Å; L352-I357 HydrophobicContact CB-CD1 4.02Å; L352-I357 HydrophobicContact CD2-CD1 3.95Å; L352-I357 HydrophobicContact CG-CD1 4.47Å; L352-L366 HydrophobicContact CB-CD2 3.47Å; L352-L366 VanDerWaalsContact CB-CD2 3.47Å; L352-L366 HydrophobicContact CD1-CD1 4.27Å; L352-L366 HydrophobicContact CD1-CD2 4.22Å; L352-V373 HydrophobicContact CD1-CG2 4.44Å
353M89.4Confident89.6Confident96 Ų9666 Ų6647%0.47334%0.336SS..THydrogen-bonded Turntrans-63.4-16.5175.6-77176.3169.300114.3V349 T351 L366 H367V349-M353 HydrophobicContact CG1-CE 3.54Å; V349-M353 HydrophobicContact CG1-CG 4.2Å; V349-M353 HydrophobicContact CG1-SD 3.91Å; V349-M353 WeakPolarHBondContact O-CB 3.44Å; V349-M353 VanDerWaalsContact O-CG 3.24Å; V349-M353 WeakPolarHBondContact O-CG 3.25Å; V349-M353 PolarHBondContact O-N 2.68Å; T351-M353 VanDerWaalsContact C-N 3.3Å; T351-M353 PolarHBondContact O-N 2.9Å; M353-L366 HydrophobicContact CG-CD2 3.94Å; M353-H367 WeakPolarHBondContact CE-CE1 3.34Å; M353-H367 WeakPolarHBondContact CE-NE2 3.47Å
354R90.8Very high89.2Confident192 Ų19266.2 Ų66.273%0.72534%0.338SS*.THydrogen-bonded Turntrans-89-8.8175.5-64.1169.2175.3-172.1-6.2112.4K350 T351 L352K350-R354 WeakPolarHBondContact O-CG 3.21Å; T351-R354 WeakPolarHBondContact O-CB 3.18Å; T351-R354 PolarHBondContact O-N 2.91Å; L352-R354 PolarHBondContact O-N 2.84Å; L352-R354 VanDerWaalsContact O-N 3.16Å
355E89.6Confident89.2Confident68 Ų6864.1 Ų64.132%0.31833%0.328SS..SBendtrans-103146.3179.9-60.1-175.6-175.300110R329 L352 I357R329-E355 WeakPolarHBondContact CD-OE2 3.38Å; R329-E355 IonicContact NE-OE2 2.68Å; R329-E355 PolarHBondContact NE-OE2 2.75Å; L352-E355 PolarHBondContact O-N 2.83Å; E355-I357 HydrophobicContact CB-CG1 4.41Å; E355-I357 PolarHBondContact O-N 3.12Å
356E87.9Confident89.3Confident194 Ų19462.8 Ų62.891%0.90732%0.323SS*.  trans-80.2107.1168.1-69.9-177.7-179.600108.8
357I90Very high89.3Confident15 Ų1557.6 Ų57.68%0.07730%0.299CS..  trans-101.6109.2177-56.4174.6000107.7L322 V325 L326 L352 E355 L360 L366L322-I357 HydrophobicContact CD1-CG2 3.77Å; V325-I357 HydrophobicContact CG1-CG2 4.33Å; L326-I357 HydrophobicContact CD2-CD1 4Å; L326-I357 HydrophobicContact CD2-CG2 4.44Å; L352-I357 HydrophobicContact CB-CD1 4.02Å; L352-I357 HydrophobicContact CD2-CD1 3.95Å; L352-I357 HydrophobicContact CG-CD1 4.47Å; E355-I357 HydrophobicContact CB-CG1 4.41Å; E355-I357 PolarHBondContact O-N 3.12Å; I357-L360 HydrophobicContact CB-CD1 4.16Å; I357-L360 HydrophobicContact CB-CD2 4.34Å; I357-L360 HydrophobicContact CB-CG 4.15Å; I357-L360 HydrophobicContact CG2-CD2 4.07Å; I357-L360 HydrophobicContact CG2-CG 4.2Å; I357-L360 WeakPolarHBondContact O-CG 3.49Å; I357-L366 HydrophobicContact CD1-CD1 4.29Å
358P87.4Confident89.1Confident98 Ų9852.9 Ų52.964%0.63628%0.282SS*.THydrogen-bonded Turntrans-69145.518028.6-34.2000110.7
359G87.5Confident89Confident30 Ų3053 Ų5331%0.30928%0.282SS..THydrogen-bonded Turntrans85.48.7170.900000116.2H318 L322H318-G359 VanDerWaalsContact CE1-CA 3.41Å; H318-G359 WeakPolarHBondContact CE1-CA 3.5Å; H318-G359 WeakPolarHBondContact NE2-CA 3.33Å; H318-G359 PolarHBondContact NE2-O 2.72Å; L322-G359 WeakPolarHBondContact CD2-O 3.19Å
360L91.8Very high89Confident56 Ų5653.5 Ų53.529%0.29328%0.283SS..PPolyproline II helixtrans-55.6147.2173.6-68.7173.7000112L322 I357 L366 L369L322-L360 HydrophobicContact CD1-CD2 4.25Å; I357-L360 HydrophobicContact CB-CD1 4.16Å; I357-L360 HydrophobicContact CB-CD2 4.34Å; I357-L360 HydrophobicContact CB-CG 4.15Å; I357-L360 HydrophobicContact CG2-CD2 4.07Å; I357-L360 HydrophobicContact CG2-CG 4.2Å; I357-L360 WeakPolarHBondContact O-CG 3.49Å; L360-L366 HydrophobicContact CD1-CB 4.46Å; L360-L366 HydrophobicContact CD2-CB 4.45Å; L360-L366 HydrophobicContact CD2-CD1 4.18Å; L360-L369 HydrophobicContact CD2-CD1 3.56Å
361P89.8Confident88.9Confident10 Ų1048.5 Ų48.57%0.06527%0.268CS..PPolyproline II helixtrans-56.3140.8174.4-2534000112F267 G365 A368 L369F267-P361 HydrophobicContact CD2-CB 3.96Å; F267-P361 HydrophobicContact CE2-CB 4.02Å; P361-G365 WeakPolarHBondContact O-CA 3.42Å; P361-G365 PolarHBondContact O-N 3.43Å; P361-G365 VanDerWaalsContact O-N 3.17Å; P361-A368 HydrophobicContact CB-CB 4.16Å; P361-A368 HydrophobicContact CG-CB 4.06Å; P361-L369 HydrophobicContact CG-CD2 3.87Å; P361-L369 HydrophobicContact CG-CG 4.27Å
362P90.7Very high88.8Confident60 Ų6049.4 Ų49.439%0.3927%0.269SS..THydrogen-bonded Turntrans-62.3156.2176.329.2-36.3000111.4D266 S364D266-P362 HydrophobicContact CB-CB 4.06Å; D266-P362 HydrophobicContact CB-CG 4.13Å; D266-P362 WeakPolarHBondContact O-CG 3.35Å; P362-S364 PolarHBondContact O-N 2.79Å; P362-S364 VanDerWaalsContact O-N 3.08Å
363G84.8Confident88.8Confident39 Ų3949.4 Ų49.440%0.40227%0.269SS..THydrogen-bonded Turntrans76.1-89.8-176.500000112.1G365G363-G365 VanDerWaalsContact C-N 3.31Å; G363-G365 PolarHBondContact O-N 2.88Å
364S79.2Confident88.9Confident5 Ų547.3 Ų47.34%0.03526%0.258CS..THydrogen-bonded Turntrans-72.4-16.7-171.6-69.70000115.5S288 K292 P362 L366 H367S288-S364 WeakPolarHBondContact OG-CB 3.29Å; S288-S364 PolarHBondContact OG-OG 3.41Å; K292-S364 WeakPolarHBondContact CE-OG 3.39Å; K292-S364 PolarHBondContact NZ-OG 3.48Å; K292-S364 VanDerWaalsContact NZ-OG 3.16Å; P362-S364 PolarHBondContact O-N 2.79Å; P362-S364 VanDerWaalsContact O-N 3.08Å; S364-L366 PolarHBondContact O-N 2.77Å; S364-H367 WeakPolarHBondContact O-CB 3.33Å; S364-H367 PolarHBondContact O-N 3.21Å
365G88.4Confident88.9Confident16 Ų1642.5 Ų42.517%0.16525%0.25CS..G310 helixtrans58-129.6178.100000112.3P361 G363 H367 A368P361-G365 WeakPolarHBondContact O-CA 3.42Å; P361-G365 PolarHBondContact O-N 3.43Å; P361-G365 VanDerWaalsContact O-N 3.17Å; G363-G365 VanDerWaalsContact C-N 3.31Å; G363-G365 PolarHBondContact O-N 2.88Å; G365-H367 PolarHBondContact O-N 3.26Å; G365-A368 WeakPolarHBondContact O-CB 3.48Å; G365-A368 PolarHBondContact O-N 2.87Å
366L89.7Confident89.1Confident13 Ų1339.4 Ų39.47%0.06824%0.236CC..G310 helixtrans-63.4-28.2-179-172.366.9000113.3L326 V349 L352 M353 I357 L360 S364 A368 L369 V373L326-L366 HydrophobicContact CD2-CD1 3.98Å; V349-L366 HydrophobicContact CG1-CD2 4.12Å; L352-L366 HydrophobicContact CB-CD2 3.47Å; L352-L366 VanDerWaalsContact CB-CD2 3.47Å; L352-L366 HydrophobicContact CD1-CD1 4.27Å; L352-L366 HydrophobicContact CD1-CD2 4.22Å; M353-L366 HydrophobicContact CG-CD2 3.94Å; I357-L366 HydrophobicContact CD1-CD1 4.29Å; L360-L366 HydrophobicContact CD1-CB 4.46Å; L360-L366 HydrophobicContact CD2-CB 4.45Å; L360-L366 HydrophobicContact CD2-CD1 4.18Å; S364-L366 PolarHBondContact O-N 2.77Å; L366-A368 PolarHBondContact O-N 3.04Å; L366-L369 PolarHBondContact O-N 3.1Å; L366-V373 HydrophobicContact CD1-CG2 4.38Å
367H89.4Confident89.3Confident44 Ų4430.3 Ų30.320%0.20419%0.194CC..G310 helixtrans-61.7-34.6179.8-68.6-71.7000112.5S288 S291 K292 M353 S364 G365 L369 R370S288-H367 WeakPolarHBondContact CA-O 3.35Å; S291-H367 WeakPolarHBondContact CB-ND1 3.34Å; S291-H367 PolarHBondContact O-CE1 2.73Å; S291-H367 PolarHBondContact O-ND1 2.68Å; S291-H367 VanDerWaalsContact O-ND1 3.1Å; S291-H367 PolarHBondContact OG-ND1 3.03Å; K292-H367 HydrophobicContact CG-CB 3.93Å; M353-H367 WeakPolarHBondContact CE-CE1 3.34Å; M353-H367 WeakPolarHBondContact CE-NE2 3.47Å; S364-H367 WeakPolarHBondContact O-CB 3.33Å; S364-H367 PolarHBondContact O-N 3.21Å; G365-H367 PolarHBondContact O-N 3.26Å; H367-L369 PolarHBondContact O-N 2.85Å; H367-L369 VanDerWaalsContact O-N 3.14Å; H367-R370 WeakPolarHBondContact O-CB 3.44Å; H367-R370 PolarHBondContact O-N 3.23Å
368A85.5Confident89.4Confident6 Ų633.2 Ų33.25%0.0521%0.209CC..G310 helixtrans-59.8-23.617500000113.6F267 P361 G365 L366F267-A368 HydrophobicContact CD2-CB 3.98Å; F267-A368 HydrophobicContact CE2-CB 3.26Å; F267-A368 HydrophobicContact CZ-CB 3.76Å; P361-A368 HydrophobicContact CB-CB 4.16Å; P361-A368 HydrophobicContact CG-CB 4.06Å; G365-A368 WeakPolarHBondContact O-CB 3.48Å; G365-A368 PolarHBondContact O-N 2.87Å; L366-A368 PolarHBondContact O-N 3.04Å
369L89.4Confident89.6Confident3 Ų330.3 Ų30.32%0.01619%0.193CC..G310 helixtrans-99.113-174.4-53.9176.3000111.9L322 L326 L360 P361 L366 H367 G371 K372 V373L322-L369 HydrophobicContact CD2-CD1 3.62Å; L322-L369 HydrophobicContact CD2-CD2 4.49Å; L322-L369 HydrophobicContact CG-CD1 4.2Å; L326-L369 HydrophobicContact CD1-CB 4.33Å; L326-L369 HydrophobicContact CD1-CD1 3.7Å; L360-L369 HydrophobicContact CD2-CD1 3.56Å; P361-L369 HydrophobicContact CG-CD2 3.87Å; P361-L369 HydrophobicContact CG-CG 4.27Å; L366-L369 PolarHBondContact O-N 3.1Å; H367-L369 PolarHBondContact O-N 2.85Å; H367-L369 VanDerWaalsContact O-N 3.14Å; L369-G371 PolarHBondContact O-N 3.01Å; L369-K372 HydrophobicContact CD2-CD 4.17Å; L369-K372 WeakPolarHBondContact O-CA 3.35Å; L369-K372 WeakPolarHBondContact O-CB 3.12Å; L369-K372 PolarHBondContact O-N 3.06Å; L369-V373 HydrophobicContact CB-CG2 4.46Å; L369-V373 WeakPolarHBondContact O-CG2 3.1Å; L369-V373 PolarHBondContact O-N 2.74Å
370R90.8Very high89.8Confident22 Ų2229 Ų298%0.08318%0.179CC..Hα-helixtrans-46.5-56.3-179.7167171.6-173.7168.4-2.2112.8D287 L290 Y345 H367 K372 V373 E374D287-R370 HydrophobicContact CB-CB 4.17Å; D287-R370 HydrophobicContact CB-CG 4.34Å; D287-R370 VanDerWaalsContact O-CD 3.27Å; D287-R370 WeakPolarHBondContact O-CD 3.36Å; L290-R370 VanDerWaalsContact C-NH1 3.29Å; L290-R370 VanDerWaalsContact CB-NH1 3.29Å; L290-R370 VanDerWaalsContact CD2-CZ 3.5Å; L290-R370 PolarHBondContact O-NH1 3.31Å; Y345-R370 HydrophobicContact CE2-CB 4.42Å; Y345-R370 HydrophobicContact CE2-CG 3.9Å; Y345-R370 VanDerWaalsContact OH-CB 3.3Å; Y345-R370 WeakPolarHBondContact OH-CB 3.29Å; Y345-R370 VanDerWaalsContact OH-CG 3.28Å; Y345-R370 WeakPolarHBondContact OH-CG 3.45Å; H367-R370 WeakPolarHBondContact O-CB 3.44Å; H367-R370 PolarHBondContact O-N 3.23Å; R370-K372 PolarHBondContact O-N 3.27Å; R370-V373 PolarHBondContact O-N 3.3Å; R370-V373 VanDerWaalsContact O-N 3.12Å; R370-E374 HydrophobicContact CG-CG 4.4Å; R370-E374 IonicContact CZ-OE1 3.22Å; R370-E374 IonicContact NE-OE1 3.88Å; R370-E374 PolarHBondContact NE-OE1 3.07Å; R370-E374 IonicContact NE-OE2 2.78Å; R370-E374 IonicContact NH2-OE1 3.54Å; R370-E374 PolarHBondContact NH2-OE1 3.37Å; R370-E374 PolarHBondContact O-N 2.95Å
371G88.4Confident89.6Confident22 Ų2229 Ų2923%0.22718%0.175CC..Hα-helixtrans-61.2-34.9-176.800000112.4L369 T375L369-G371 PolarHBondContact O-N 3.01Å; G371-T375 WeakPolarHBondContact O-CB 3.37Å; G371-T375 PolarHBondContact O-N 3.11Å; G371-T375 PolarHBondContact O-OG1 2.83Å
372K91Very high89.5Confident48 Ų4835.6 Ų35.621%0.20920%0.199CC..Hα-helixtrans-68.4-46.2173.9-72.6180173.1-115.50111.7E319 E323 L369 R370 E374 T375 I376E319-K372 WeakPolarHBondContact OE1-CE 3.49Å; E319-K372 IonicContact OE1-NZ 2.88Å; E319-K372 PolarHBondContact OE1-NZ 3.33Å; E323-K372 IonicContact OE2-NZ 2.79Å; E323-K372 PolarHBondContact OE2-NZ 3.4Å; L369-K372 HydrophobicContact CD2-CD 4.17Å; L369-K372 WeakPolarHBondContact O-CA 3.35Å; L369-K372 WeakPolarHBondContact O-CB 3.12Å; L369-K372 PolarHBondContact O-N 3.06Å; R370-K372 PolarHBondContact O-N 3.27Å; K372-E374 PolarHBondContact O-N 2.79Å; K372-T375 PolarHBondContact O-N 3.01Å; K372-I376 WeakPolarHBondContact O-CB 3.24Å; K372-I376 WeakPolarHBondContact O-CD1 3.29Å; K372-I376 WeakPolarHBondContact O-CG1 3.26Å; K372-I376 PolarHBondContact O-N 3.04Å
373V93Very high89.4Confident0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-60.2-45.5177.5172.20000110.7I330 Y345 V348 V349 L352 L366 L369 R370 I376 L377I330-V373 HydrophobicContact CD1-CB 4.39Å; I330-V373 HydrophobicContact CD1-CG1 4Å; I330-V373 HydrophobicContact CD1-CG2 4.36Å; Y345-V373 HydrophobicContact CD2-CG1 4.1Å; Y345-V373 HydrophobicContact CE2-CB 4.26Å; Y345-V373 HydrophobicContact CE2-CG1 3.99Å; V348-V373 HydrophobicContact CG1-CG1 4.05Å; V349-V373 HydrophobicContact CG2-CG1 4.18Å; L352-V373 HydrophobicContact CD1-CG2 4.44Å; L366-V373 HydrophobicContact CD1-CG2 4.38Å; L369-V373 HydrophobicContact CB-CG2 4.46Å; L369-V373 WeakPolarHBondContact O-CG2 3.1Å; L369-V373 PolarHBondContact O-N 2.74Å; R370-V373 PolarHBondContact O-N 3.3Å; R370-V373 VanDerWaalsContact O-N 3.12Å; V373-I376 PolarHBondContact O-N 3.11Å; V373-L377 WeakPolarHBondContact O-CB 3.1Å; V373-L377 PolarHBondContact O-N 2.83Å
374E91.6Very high89.4Confident53 Ų5340.7 Ų40.725%0.24820%0.204CC..Hα-helixtrans-60.8-48.6175.7-72.6177.4166.600111.2Y345 R370 K372 I376 L377 D378Y345-E374 HydrophobicContact CD2-CG 3.45Å; Y345-E374 VanDerWaalsContact CD2-CG 3.45Å; Y345-E374 HydrophobicContact CE2-CG 3.77Å; Y345-E374 HydrophobicContact CG-CG 4.23Å; R370-E374 HydrophobicContact CG-CG 4.4Å; R370-E374 IonicContact CZ-OE1 3.22Å; R370-E374 IonicContact NE-OE1 3.88Å; R370-E374 PolarHBondContact NE-OE1 3.07Å; R370-E374 IonicContact NE-OE2 2.78Å; R370-E374 IonicContact NH2-OE1 3.54Å; R370-E374 PolarHBondContact NH2-OE1 3.37Å; R370-E374 PolarHBondContact O-N 2.95Å; K372-E374 PolarHBondContact O-N 2.79Å; E374-I376 PolarHBondContact O-N 3.04Å; E374-L377 PolarHBondContact O-N 3.36Å; E374-D378 WeakPolarHBondContact O-CB 3.42Å; E374-D378 PolarHBondContact O-N 3.38Å
375T91.9Very high89.4Confident91 Ų9146.4 Ų46.456%0.55823%0.23SC*.Hα-helixtrans-60.2-44.3178.8-60.50000112.3G371 K372 A379G371-T375 WeakPolarHBondContact O-CB 3.37Å; G371-T375 PolarHBondContact O-N 3.11Å; G371-T375 PolarHBondContact O-OG1 2.83Å; K372-T375 PolarHBondContact O-N 3.01Å; T375-A379 WeakPolarHBondContact O-CB 3.39Å; T375-A379 PolarHBondContact O-N 3.04Å
376I93.1Very high88.6Confident2 Ų251.5 Ų51.51%0.0125%0.252CS..Hα-helixtrans-64-47.8177.6-70.2166.4000110.2E323 L326 R327 I330 K372 V373 E374 D378 A379 I380E323-I376 HydrophobicContact CG-CD1 4.02Å; L326-I376 HydrophobicContact CB-CD1 4.07Å; R327-I376 HydrophobicContact CB-CG2 4.25Å; R327-I376 HydrophobicContact CG-CG2 4.21Å; I330-I376 HydrophobicContact CB-CG2 4.14Å; I330-I376 HydrophobicContact CD1-CB 4.01Å; I330-I376 HydrophobicContact CD1-CD1 4.38Å; I330-I376 HydrophobicContact CD1-CG2 3.65Å; I330-I376 HydrophobicContact CG1-CG2 4.48Å; I330-I376 HydrophobicContact CG2-CG2 4.25Å; K372-I376 WeakPolarHBondContact O-CB 3.24Å; K372-I376 WeakPolarHBondContact O-CD1 3.29Å; K372-I376 WeakPolarHBondContact O-CG1 3.26Å; K372-I376 PolarHBondContact O-N 3.04Å; V373-I376 PolarHBondContact O-N 3.11Å; E374-I376 PolarHBondContact O-N 3.04Å; I376-D378 PolarHBondContact O-N 3.22Å; I376-A379 PolarHBondContact O-N 3.22Å; I376-I380 HydrophobicContact CG2-CD1 3.62Å; I376-I380 HydrophobicContact CG2-CG1 4.46Å; I376-I380 WeakPolarHBondContact O-CD1 3.3Å; I376-I380 VanDerWaalsContact O-CG1 3.28Å; I376-I380 WeakPolarHBondContact O-CG1 3.42Å; I376-I380 PolarHBondContact O-N 3.5Å
377L92.7Very high87.2Confident4 Ų453 Ų532%0.02127%0.271CS..Hα-helixtrans-59.5-44.8179.8179.158.5000111.8I330 V334 A343 V348 V373 E374 I380 R381I330-L377 HydrophobicContact CG2-CB 4.38Å; I330-L377 HydrophobicContact CG2-CD1 4.08Å; V334-L377 HydrophobicContact CG2-CD1 3.78Å; A343-L377 HydrophobicContact CB-CD1 4.44Å; A343-L377 WeakPolarHBondContact O-CD2 3.46Å; V348-L377 HydrophobicContact CG2-CD1 4.03Å; V348-L377 HydrophobicContact CG2-CD2 4.14Å; V373-L377 WeakPolarHBondContact O-CB 3.1Å; V373-L377 PolarHBondContact O-N 2.83Å; E374-L377 PolarHBondContact O-N 3.36Å; L377-I380 PolarHBondContact O-N 3.44Å; L377-R381 HydrophobicContact CD1-CG 4.41Å; L377-R381 WeakPolarHBondContact O-CB 3.48Å; L377-R381 WeakPolarHBondContact O-CG 3.35Å; L377-R381 PolarHBondContact O-N 2.95Å
378D91.3Very high85.5Confident76 Ų7653.3 Ų53.341%0.40629%0.286SS..Hα-helixtrans-68.6-35.2178.6-75-13.7000112.6E374 I376 R382E374-D378 WeakPolarHBondContact O-CB 3.42Å; E374-D378 PolarHBondContact O-N 3.38Å; I376-D378 PolarHBondContact O-N 3.22Å; D378-R382 WeakPolarHBondContact O-CB 3.41Å; D378-R382 WeakPolarHBondContact O-CG 3.43Å; D378-R382 PolarHBondContact O-N 3.04Å; D378-R382 PolarHBondContact O-NE 3.38Å
379A92Very high83.8Confident36 Ų3656.4 Ų56.430%0.29831%0.311SS..Hα-helixtrans-63.4-44.2172.600000111.8T375 I376 R382 R383T375-A379 WeakPolarHBondContact O-CB 3.39Å; T375-A379 PolarHBondContact O-N 3.04Å; I376-A379 PolarHBondContact O-N 3.22Å; A379-R382 PolarHBondContact O-N 3.19Å; A379-R383 PolarHBondContact O-N 3.31Å; A379-R383 VanDerWaalsContact O-N 3.08Å
380I90.8Very high81.5Confident4 Ų462.8 Ų62.82%0.02135%0.345CS..Hα-helixtrans-64.7-45.8178.3-66.5161000110.7I330 E331 V334 I376 L377 R382 R383 L384I330-I380 HydrophobicContact CB-CD1 4.02Å; I330-I380 HydrophobicContact CG2-CD1 3.58Å; E331-I380 HydrophobicContact CB-CD1 4.39Å; E331-I380 HydrophobicContact CG-CD1 3.45Å; E331-I380 VanDerWaalsContact CG-CD1 3.45Å; E331-I380 HydrophobicContact CG-CG1 3.75Å; E331-I380 HydrophobicContact CG-CG2 4.4Å; V334-I380 HydrophobicContact CB-CG2 4.24Å; V334-I380 HydrophobicContact CG1-CG2 4.09Å; V334-I380 HydrophobicContact CG2-CG2 4.21Å; I376-I380 HydrophobicContact CG2-CD1 3.62Å; I376-I380 HydrophobicContact CG2-CG1 4.46Å; I376-I380 WeakPolarHBondContact O-CD1 3.3Å; I376-I380 VanDerWaalsContact O-CG1 3.28Å; I376-I380 WeakPolarHBondContact O-CG1 3.42Å; I376-I380 PolarHBondContact O-N 3.5Å; L377-I380 PolarHBondContact O-N 3.44Å; I380-R382 PolarHBondContact O-N 3.25Å; I380-R383 WeakPolarHBondContact O-CB 3.38Å; I380-R383 PolarHBondContact O-N 2.85Å; I380-L384 HydrophobicContact CG2-CD1 4.1Å; I380-L384 WeakPolarHBondContact O-CG 3.4Å; I380-L384 PolarHBondContact O-N 3.37Å
381R88.5Confident79.3Confident55 Ų5570.1 Ų70.121%0.20838%0.38CS..Hα-helixtrans-59.3-45.3177.8-77169.7163.1-171.5-14.6112.4A340 E341 A343 L377 R383 L384 Q385A340-R381 HydrophobicContact CB-CG 4.47Å; A340-R381 PolarHBondContact O-NE 3.27Å; A340-R381 VanDerWaalsContact O-NE 3.12Å; A340-R381 PolarHBondContact O-NH2 3.01Å; E341-R381 PolarHBondContact O-NH2 3.44Å; E341-R381 VanDerWaalsContact O-NH2 3.09Å; A343-R381 PolarHBondContact O-NH2 3.22Å; L377-R381 HydrophobicContact CD1-CG 4.41Å; L377-R381 WeakPolarHBondContact O-CB 3.48Å; L377-R381 WeakPolarHBondContact O-CG 3.35Å; L377-R381 PolarHBondContact O-N 2.95Å; R381-R383 VanDerWaalsContact C-N 3.35Å; R381-R383 PolarHBondContact O-N 3.44Å; R381-L384 PolarHBondContact O-N 2.98Å; R381-Q385 WeakPolarHBondContact O-CG 3.31Å; R381-Q385 PolarHBondContact O-N 3.49Å
382R88Confident76.9Confident149 Ų14974.8 Ų74.856%0.56241%0.405SS*.Hα-helixtrans-60.5-42.8175.4-77.4-177.7-74.6-156.6-0.8112.1D378 A379 I380 L384 Q385 I386D378-R382 WeakPolarHBondContact O-CB 3.41Å; D378-R382 WeakPolarHBondContact O-CG 3.43Å; D378-R382 PolarHBondContact O-N 3.04Å; D378-R382 PolarHBondContact O-NE 3.38Å; A379-R382 PolarHBondContact O-N 3.19Å; I380-R382 PolarHBondContact O-N 3.25Å; R382-L384 VanDerWaalsContact C-N 3.35Å; R382-L384 PolarHBondContact O-N 3.39Å; R382-Q385 PolarHBondContact O-N 3.25Å; R382-I386 WeakPolarHBondContact O-CG1 3.21Å; R382-I386 PolarHBondContact O-N 3.42Å
383R88.5Confident74.1Confident130 Ų13076 Ų7649%0.49143%0.431SS..Hα-helixtrans-60-43.4176.6-171.8179.869.8-163.4-1.8111.9E331 A379 I380 R381 I386 G387E331-R383 VanDerWaalsContact CD-NH2 3.28Å; E331-R383 IonicContact OE1-CZ 3.2Å; E331-R383 IonicContact OE1-NH1 2.76Å; E331-R383 PolarHBondContact OE1-NH1 3.19Å; E331-R383 IonicContact OE1-NH2 2.76Å; E331-R383 PolarHBondContact OE1-NH2 2.92Å; E331-R383 IonicContact OE2-NH2 3.95Å; A379-R383 PolarHBondContact O-N 3.31Å; A379-R383 VanDerWaalsContact O-N 3.08Å; I380-R383 WeakPolarHBondContact O-CB 3.38Å; I380-R383 PolarHBondContact O-N 2.85Å; R381-R383 VanDerWaalsContact C-N 3.35Å; R381-R383 PolarHBondContact O-N 3.44Å; R383-I386 PolarHBondContact O-N 3.23Å; R383-G387 PolarHBondContact O-N 2.79Å; R383-G387 VanDerWaalsContact O-N 3.09Å
384L83.6Confident71.2Confident76 Ų7683.6 Ų83.640%0.39847%0.471SS..Hα-helixtrans-69.9-36.6-179.9-69173.4000113V334 A340 I380 R381 R382 G387 G388V334-L384 HydrophobicContact CG1-CD1 3.46Å; V334-L384 VanDerWaalsContact CG1-CD1 3.46Å; A340-L384 HydrophobicContact CB-CD1 3.97Å; I380-L384 HydrophobicContact CG2-CD1 4.1Å; I380-L384 WeakPolarHBondContact O-CG 3.4Å; I380-L384 PolarHBondContact O-N 3.37Å; R381-L384 PolarHBondContact O-N 2.98Å; R382-L384 VanDerWaalsContact C-N 3.35Å; R382-L384 PolarHBondContact O-N 3.39Å; L384-G387 PolarHBondContact O-N 3.43Å; L384-G388 PolarHBondContact O-N 2.91Å
385Q79.2Confident68.4Low124 Ų12487.1 Ų87.158%0.57950%0.497SS*.Hα-helixtrans-63.4-41.4175.1-74.3176.2-10.300112R381 R382 G387 G388 A389R381-Q385 WeakPolarHBondContact O-CG 3.31Å; R381-Q385 PolarHBondContact O-N 3.49Å; R382-Q385 PolarHBondContact O-N 3.25Å; Q385-G387 VanDerWaalsContact C-N 3.35Å; Q385-G388 PolarHBondContact O-N 3.25Å; Q385-A389 PolarHBondContact O-N 3.39Å
386I73.1Confident65.7Low123 Ų12391.9 Ų91.963%0.63151%0.512SS*.Hα-helixtrans-66.9-37.9176-63.4166.5000110.8R382 R383R382-I386 WeakPolarHBondContact O-CG1 3.21Å; R382-I386 PolarHBondContact O-N 3.42Å; R383-I386 PolarHBondContact O-N 3.23Å
387G59.2Low62.8Low46 Ų4697.4 Ų97.447%0.47455%0.551SS.*Hα-helixtrans-68.7-33177.400000114.3R383 L384 Q385R383-G387 PolarHBondContact O-N 2.79Å; R383-G387 VanDerWaalsContact O-N 3.09Å; L384-G387 PolarHBondContact O-N 3.43Å; Q385-G387 VanDerWaalsContact C-N 3.35Å
388G53.4Low60.1Low50 Ų50102 Ų10252%0.51559%0.59SS.*Hα-helixtrans-74.9-27.9179.200000114.5L384 Q385 N390L384-G388 PolarHBondContact O-N 2.91Å; Q385-G388 PolarHBondContact O-N 3.25Å; G388-N390 PolarHBondContact O-N 3.18Å
389A49.7Very low57.3Low70 Ų70103.5 Ų103.558%0.57961%0.605SS**THydrogen-bonded Turntrans-69.6-16.5-17900000113.9Q385Q385-A389 PolarHBondContact O-N 3.39Å
390N42.5Very low54.7Low137 Ų137112.2 Ų112.273%0.73363%0.632SS**THydrogen-bonded Turntrans-93.77.6-177.1-77.3-21.4000114.9G388G388-N390 PolarHBondContact O-N 3.18Å
391H42.9Very low52Low177 Ų177117 Ų11782%0.81966%0.661SS**SBendtrans-120.712.1-176.7-90.4-37.7000117
392T40Very low49.5Very low120 Ų120120.5 Ų120.574%0.73669%0.689SS**SBendtrans-112.7106.5168.453.20000110.3N394T392-N394 PolarHBondContact O-N 2.98Å
393G30.6Very low47Very low74 Ų74120.5 Ų120.576%0.76370%0.699SS**  trans-62.8132.1176.900000112.4
394N33.6Very low44.5Very low159 Ų159120.8 Ų120.885%0.8571%0.711SS**  -163.5132.2121.4-113-9.7000109.9T392 E396T392-N394 PolarHBondContact O-N 2.98Å; N394-E396 PolarHBondContact O-N 3.33Å
395T31.4Very low42.2Very low127 Ų127126.2 Ų126.278%0.77973%0.734SS**  trans-48.4120.2161.643.30000110.7
396E36.1Very low40.2Very low190 Ų190128 Ų12889%0.88875%0.745SS**  trans-172.5138.8135.5-105.9168.9-167.500111.6N394N394-E396 PolarHBondContact O-N 3.33Å
397S31.7Very low38.7Very low118 Ų118128.8 Ų128.883%0.82576%0.755SS**  trans-59.7133.6-178.551.40000113.9
398A36.7Very low37.6Very low101 Ų101135.4 Ų135.484%0.83577%0.774SS**  trans-151.4116.1144.500000110.1
399C32.6Very low37.2Very low108 Ų108137.1 Ų137.173%0.7378%0.783SS**  trans-56.4149.2160.1-690000109.7
400Y35.9Very low36.9Very low218 Ų218141.2 Ų141.286%0.85580%0.795SS**  173.3130.2110.9-96.2-68.4000113.1
401V34.7Very low36.9Very low105 Ų105142.3 Ų142.364%0.63680%0.801SS**  trans61.4114.3151.5-159.20000120.4
402V36.7Very low37.1Very low129 Ų129143.2 Ų143.278%0.78281%0.806SS**  trans-86.6113.3156.7-177.70000106.9N404V402-N404 PolarHBondContact O-N 3Å
403D34.6Very low37.5Very low148 Ų148143.5 Ų143.579%0.79181%0.807SS**  trans-81.8114166.1-80.8-32000108.8
404N35.7Very low38.4Very low136 Ų136147 Ų14773%0.72781%0.808SS**  trans-116.690.1176.6-152.526.3000106V402 M406V402-N404 PolarHBondContact O-N 3Å; N404-M406 PolarHBondContact O-N 2.93Å
405E36.9Very low39.2Very low190 Ų190151.8 Ų151.889%0.88883%0.826SS**  trans-81.691.1171-78.1-169.6152.300109.3
406M36.9Very low39.6Very low163 Ų163153.1 Ų153.180%0.80383%0.828SS**  trans-82119.1152.9-92.3179.614800108.2N404N404-M406 PolarHBondContact O-N 2.93Å
407T40.6Very low39.8Very low139 Ų139151.1 Ų151.185%0.85383%0.825SS**  trans-118.792.2159.4310000109
408E36.8Very low40.2Very low185 Ų185152.9 Ų152.986%0.86483%0.825SS**  trans-104.5120.2153.7-81.3-174.216300107.3
409A43.7Very low40.4Very low86 Ų86156 Ų15671%0.71182%0.824SS**  trans-160.6129154.300000111.2
410N45.1Very low40.9Very low155 Ų155159 Ų15983%0.82983%0.83SS**  trans95.584.9152.4-53.4-19.6000118
411N41.8Very low41.2Very low161 Ų161155.1 Ų155.186%0.86183%0.828SS**  trans-55128.6132.2-79.6-34.2000110.1
412E47.5Very low41.7Very low196 Ų196158.6 Ų158.692%0.91684%0.842SS**  trans-147.5126.8141.2-117.5173.9-16700109
413V47.4Very low42.1Very low125 Ų125160.9 Ų160.976%0.75885%0.847SS**  trans-93.8130177.9168.30000106.7
414D49.8Very low42.7Very low147 Ų147162 Ų16279%0.78685%0.851SS**  trans-170126.7137.1-106.9-23.2000112.2
415Q50.6Low43.4Very low261 Ų261164.4 Ų164.4100%1.2286%0.863SS**  trans70.10162.4-62-172.10.100121.4

Retrieved 415 of 415 residues in 193 ms (Link to these results)

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