A0A5K4F6C1_SCHMA Loading...

Intraflagellar transport protein 80 homolog AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F6C1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 774 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
1M89.9Confident80.5Confident68 Ų6870.6 Ų70.634%0.33536%0.361SS..  0134.30-74.2-165.1-73.300109.3L246 H265 V301 I302 E303 R304M1-L246 HydrophobicContact CE-CD2 3.86Å; M1-L246 HydrophobicContact SD-CD1 4.36Å; M1-H265 HydrophobicContact CB-CB 4.49Å; M1-H265 WeakPolarHBondContact CE-CE1 3.42Å; M1-H265 VanDerWaalsContact CE-NE2 3.33Å; M1-H265 WeakPolarHBondContact CE-NE2 3.43Å; M1-V301 HydrophobicContact SD-CG1 4.25Å; M1-I302 CarbonylContact C-O 3.56Å; M1-I302 VanDerWaalsContact CA-O 3.23Å; M1-I302 WeakPolarHBondContact CA-O 3.27Å; M1-E303 WeakPolarHBondContact CA-O 3.49Å; M1-E303 WeakPolarHBondContact CG-O 3.48Å; M1-E303 PolarHBondContact N-O 3.43Å; M1-R304 HydrophobicContact CG-CB 4.48Å; M1-R304 HydrophobicContact CG-CG 3.87Å; M1-R304 HydrophobicContact SD-CG 3.66Å
2K90.6Very high81.2Confident101 Ų10165.3 Ų65.344%0.43933%0.333SS..EExtended strand (participates in β ladder)trans-133.8169.1174.1-70.5-178-169.2147.90110A266 V301 I302 E303K2-A266 HydrophobicContact CB-CB 4.18Å; K2-A266 HydrophobicContact CG-CB 4.15Å; K2-V301 WeakPolarHBondContact O-CA 3.31Å; K2-I302 HydrophobicContact CB-CG1 4.15Å; K2-I302 PolarHBondContact N-O 3.14Å; K2-I302 PolarHBondContact O-N 2.88Å; K2-E303 VanDerWaalsContact CD-OE2 3.27Å; K2-E303 WeakPolarHBondContact CD-OE2 3.45Å; K2-E303 WeakPolarHBondContact CE-OE1 3.45Å; K2-E303 WeakPolarHBondContact CE-OE2 3.48Å; K2-E303 WeakPolarHBondContact CG-OE2 3.48Å; K2-E303 IonicContact NZ-OE1 3.21Å; K2-E303 PolarHBondContact NZ-OE1 2.84Å; K2-E303 IonicContact NZ-OE2 3.14Å; K2-E303 PolarHBondContact NZ-OE2 3.39Å; K2-E303 VanDerWaalsContact NZ-OE2 3.16Å
3I90.2Very high82.2Confident4 Ų460.2 Ų60.22%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-110.6125.3166.4-161.8156.6000109.4V255 L257 E268 I287 Y300I3-V255 HydrophobicContact CD1-CG1 4.42Å; I3-L257 HydrophobicContact CB-CB 4.3Å; I3-L257 HydrophobicContact CB-CD2 4.49Å; I3-L257 HydrophobicContact CG2-CB 4.5Å; I3-E268 HydrophobicContact CG2-CB 3.68Å; I3-I287 HydrophobicContact CD1-CD1 3.16Å; I3-I287 HydrophobicContact CD1-CG1 3.7Å; I3-I287 HydrophobicContact CG1-CD1 4.47Å; I3-Y300 CarbonylContact C-O 3.57Å; I3-Y300 WeakPolarHBondContact CA-O 3.34Å
4K89.8Confident82.8Confident86 Ų8666.6 Ų66.637%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-104.5107.7176.5179.2-177.3172.2-165.30108G299 Y300 I302 E318K4-G299 WeakPolarHBondContact O-CA 3.47Å; K4-Y300 PolarHBondContact N-O 3.28Å; K4-Y300 PolarHBondContact O-N 2.93Å; K4-I302 HydrophobicContact CB-CD1 3.72Å; K4-I302 HydrophobicContact CB-CG1 4.08Å; K4-I302 HydrophobicContact CB-CG2 4.47Å; K4-I302 HydrophobicContact CD-CD1 4.13Å; K4-I302 HydrophobicContact CG-CD1 4.46Å; K4-E318 IonicContact NZ-OE2 3.16Å
5V87.1Confident83.5Confident14 Ų1467.7 Ų67.79%0.08535%0.35CS..EExtended strand (participates in β ladder)trans-83.4128177.4172.20000109.2T7 E268 T270 I297V5-T7 HydrophobicContact CG1-CG2 4.28Å; V5-T7 PolarHBondContact O-N 3.44Å; V5-E268 HydrophobicContact CB-CG 3.97Å; V5-E268 HydrophobicContact CG2-CB 4.35Å; V5-E268 HydrophobicContact CG2-CG 3.65Å; V5-T270 HydrophobicContact CG1-CG2 4.45Å; V5-T270 HydrophobicContact CG2-CG2 4.26Å; V5-I297 HydrophobicContact CG1-CB 3.98Å; V5-I297 HydrophobicContact CG1-CD1 3.9Å; V5-I297 HydrophobicContact CG1-CG1 4.47Å; V5-I297 HydrophobicContact CG1-CG2 4.3Å; V5-I297 HydrophobicContact CG2-CD1 4.38Å
6V79Confident84.2Confident55 Ų5566.9 Ų66.933%0.33335%0.345SS..EExtended strand (participates in β ladder)trans-86.3107.7169.6179.40000107.4N8 N298 Y300V6-N8 PolarHBondContact O-N 2.77Å; V6-N298 PolarHBondContact N-O 3.44Å; V6-Y300 HydrophobicContact CG2-CD2 3.92Å; V6-Y300 HydrophobicContact CG2-CE2 3.55Å
7T66.3Low84.8Confident94 Ų9462.9 Ų62.958%0.57733%0.325SS*.  trans-83.7109.6174.152.90000109.2V5V5-T7 HydrophobicContact CG1-CG2 4.28Å; V5-T7 PolarHBondContact O-N 3.44Å
8N68.2Low85.4Confident24 Ų2460.1 Ų60.113%0.12831%0.312CS..  trans-79.8144.7170.5-7512.7000110.5V6 F10 W40 D45V6-N8 PolarHBondContact O-N 2.77Å; N8-F10 HydrophobicContact CB-CD1 4.17Å; N8-F10 HydrophobicContact CB-CE1 3.96Å; N8-F10 HydrophobicContact CB-CZ 4.17Å; N8-F10 WeakPolarHBondContact ND2-CE1 3.42Å; N8-F10 WeakPolarHBondContact ND2-CZ 3.42Å; N8-F10 PolarHBondContact O-N 2.89Å; N8-W40 WeakPolarHBondContact ND2-CZ2 3.5Å; N8-D45 PolarHBondContact ND2-OD1 3.41Å
9D68.4Low86Confident163 Ų16357.2 Ų57.287%0.87230%0.297SS*.SBendtrans-72.5-18178.4-75.9-25.8000113.1
10F73.5Confident86.5Confident77 Ų7754.4 Ų54.434%0.33828%0.282SS..SBendtrans-101.4147.6-178.559.5-92.7000112.8N8 I12 V47N8-F10 HydrophobicContact CB-CD1 4.17Å; N8-F10 HydrophobicContact CB-CE1 3.96Å; N8-F10 HydrophobicContact CB-CZ 4.17Å; N8-F10 WeakPolarHBondContact ND2-CE1 3.42Å; N8-F10 WeakPolarHBondContact ND2-CZ 3.42Å; N8-F10 PolarHBondContact O-N 2.89Å; F10-I12 HydrophobicContact CD2-CG1 4.11Å; F10-I12 HydrophobicContact CE2-CD1 4.21Å; F10-I12 HydrophobicContact CE2-CG1 3.89Å; F10-V47 HydrophobicContact CD2-CG2 4.41Å; F10-V47 HydrophobicContact CE2-CG2 3.51Å; F10-V47 HydrophobicContact CZ-CG2 4.12Å
11I82.7Confident87Confident91 Ų9152.4 Ų52.447%0.46727%0.272SS..  trans-90.8124.8172.3-54.4174.8000107.4H13 R295I11-H13 WeakPolarHBondContact CG2-O 3.44Å; I11-R295 HydrophobicContact CB-CG 4.46Å; I11-R295 HydrophobicContact CG1-CG 4.09Å; I11-R295 HydrophobicContact CG2-CG 4.17Å
12I88.9Confident87.2Confident6 Ų649.3 Ų49.33%0.03126%0.257CS..SBendtrans-73-42.5-176.6-61.3-158.2000111.2F10 K38 W40 V47 I296F10-I12 HydrophobicContact CD2-CG1 4.11Å; F10-I12 HydrophobicContact CE2-CD1 4.21Å; F10-I12 HydrophobicContact CE2-CG1 3.89Å; I12-K38 HydrophobicContact CG2-CB 4.4Å; I12-K38 HydrophobicContact CG2-CD 3.86Å; I12-K38 WeakPolarHBondContact O-CD 3.28Å; I12-K38 VanDerWaalsContact O-CE 3.26Å; I12-K38 WeakPolarHBondContact O-CE 3.44Å; I12-K38 PolarHBondContact O-NZ 3.4Å; I12-W40 HydrophobicContact CD1-CB 4.08Å; I12-W40 HydrophobicContact CD1-CD2 3.85Å; I12-W40 HydrophobicContact CD1-CE3 3.88Å; I12-W40 HydrophobicContact CD1-CG 3.95Å; I12-V47 HydrophobicContact CD1-CG2 3.9Å; I12-V47 HydrophobicContact CG1-CG2 4.2Å; I12-V47 HydrophobicContact CG2-CG1 3.97Å; I12-I296 HydrophobicContact CB-CG1 4.08Å; I12-I296 HydrophobicContact CD1-CB 3.78Å; I12-I296 HydrophobicContact CD1-CG1 4.03Å; I12-I296 HydrophobicContact CG1-CB 4.33Å; I12-I296 HydrophobicContact CG1-CG1 4.35Å; I12-I296 HydrophobicContact CG2-CG1 4.23Å
13H94.1Very high87.1Confident0 Ų044.7 Ų44.70%024%0.237CC..  trans-114.5145.5-179.5-71.4-82.6000111.9I11 D15 S30 A32 D34 A36 G294I11-H13 WeakPolarHBondContact CG2-O 3.44Å; H13-D15 PolarHBondContact O-N 3.46Å; H13-S30 WeakPolarHBondContact NE2-CB 3.29Å; H13-S30 PolarHBondContact NE2-OG 3.1Å; H13-A32 HydrophobicContact CB-CB 3.57Å; H13-A32 WeakPolarHBondContact ND1-CB 3.39Å; H13-D34 WeakPolarHBondContact CA-OD2 3.34Å; H13-D34 WeakPolarHBondContact CB-OD2 3.45Å; H13-D34 IonicContact CG-OD2 2.82Å; H13-D34 IonicContact ND1-OD1 3.7Å; H13-D34 PolarHBondContact ND1-OD1 3.01Å; H13-D34 VanDerWaalsContact ND1-OD1 3.14Å; H13-D34 IonicContact ND1-OD2 2.79Å; H13-D34 PolarHBondContact ND1-OD2 3.22Å; H13-A36 PolarHBondContact CE1-O 3.09Å; H13-G294 PolarHBondContact N-O 3.18Å
14N91.1Very high86.9Confident150 Ų15046.3 Ų46.380%0.80225%0.249SC*.SBendtrans-80.8-6.4-179.3-65.6-42.3000113.4D34N14-D34 HydrophobicContact CB-CB 4.33Å; N14-D34 PolarHBondContact N-OD2 3.46Å
15D93Very high86.6Confident83 Ų8342.5 Ų42.544%0.44423%0.233SC..SBendtrans-142.9179.1-178.6-148-25.4000109.5H13 A17 D33 D34 G294H13-D15 PolarHBondContact O-N 3.46Å; D15-A17 PolarHBondContact O-N 3.43Å; D15-D33 HydrophobicContact CB-CB 4.06Å; D15-D34 HydrophobicContact CB-CB 3.91Å; D15-G294 WeakPolarHBondContact O-CA 3.47Å
16L94.3Very high86.6Confident54 Ų5443.2 Ų43.228%0.28324%0.237SC..  trans-47120.9-178.3178.7151000112.5S18 A32 D33 L276L16-S18 PolarHBondContact O-N 3.14Å; L16-A32 CarbonylContact O-C 3.42Å; L16-A32 WeakPolarHBondContact O-CA 3.18Å; L16-A32 WeakPolarHBondContact O-CB 3.33Å; L16-D33 HydrophobicContact CB-CB 4.42Å; L16-D33 PolarHBondContact O-N 3.16Å; L16-L276 HydrophobicContact CD1-CD1 3.79Å; L16-L276 HydrophobicContact CD2-CD1 3.44Å; L16-L276 VanDerWaalsContact CD2-CD1 3.44Å; L16-L276 HydrophobicContact CG-CD1 3.61Å
17A95.1Very high87.2Confident0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-81.4107.317500000109.8D15 A32 A290 G291 I296D15-A17 PolarHBondContact O-N 3.43Å; A17-A32 HydrophobicContact CB-CB 4.46Å; A17-A290 HydrophobicContact CB-CB 4.02Å; A17-A290 WeakPolarHBondContact O-CB 3.46Å; A17-G291 WeakPolarHBondContact CB-O 3.43Å; A17-G291 PolarHBondContact N-O 3.02Å; A17-I296 HydrophobicContact CB-CD1 3.57Å
18S94.7Very high88.5Confident12 Ų1237.5 Ų37.58%0.08420%0.199CC..EExtended strand (participates in β ladder)trans-71.6-46.3-174.360.30000112.6L16 I31 P59L16-S18 PolarHBondContact O-N 3.14Å; S18-I31 PolarHBondContact N-O 3.35Å; S18-I31 WeakPolarHBondContact OG-CD1 3.46Å; S18-I31 WeakPolarHBondContact OG-CG1 3.24Å; S18-I31 PolarHBondContact OG-O 2.9Å; S18-P59 WeakPolarHBondContact CB-O 3.43Å; S18-P59 PolarHBondContact OG-O 3.22Å
19S97.3Very high89.8Confident5 Ų536.4 Ų36.44%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-160.9159.8-172.9-164.60000113I31 I62 S277S19-I31 PolarHBondContact N-O 3.39Å; S19-I31 VanDerWaalsContact O-CG1 3.31Å; S19-I31 WeakPolarHBondContact O-CG1 3.41Å; S19-I31 PolarHBondContact O-N 3.21Å; S19-I62 PolarHBondContact OG-N 3.49Å; S19-S277 PolarHBondContact OG-OG 3.41Å; S19-S277 VanDerWaalsContact OG-OG 3.14Å
20V96.8Very high91.2Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-134.5155.7179.9-76.30000110.2I28 I29 K279 A288 A290 I296V20-I28 HydrophobicContact CB-CG2 4.23Å; V20-I28 HydrophobicContact CG1-CG2 4.16Å; V20-I29 CarbonylContact C-O 3.54Å; V20-I29 VanDerWaalsContact CA-O 3.27Å; V20-I29 WeakPolarHBondContact CA-O 3.48Å; V20-K279 WeakPolarHBondContact O-CG 3.25Å; V20-A288 HydrophobicContact CB-CB 4.31Å; V20-A288 HydrophobicContact CG2-CB 4.08Å; V20-A288 WeakPolarHBondContact CG2-O 3.46Å; V20-A290 HydrophobicContact CG1-CB 3.93Å; V20-A290 HydrophobicContact CG2-CB 4.26Å; V20-I296 HydrophobicContact CG1-CD1 3.68Å; V20-I296 HydrophobicContact CG1-CG1 4.41Å; V20-I296 HydrophobicContact CG1-CG2 3.9Å
21D96.1Very high92.3Very high14 Ų1425 Ų258%0.07514%0.136CC..EExtended strand (participates in β ladder)trans-150.8173.2164.2-146-25.8000110.9I28 I29 I62 D63 R64 K279D21-I28 CarbonylContact O-C 3.54Å; D21-I28 WeakPolarHBondContact O-CA 3.46Å; D21-I29 HydrophobicContact CB-CG2 3.95Å; D21-I29 PolarHBondContact N-O 3.15Å; D21-I29 WeakPolarHBondContact O-CG2 3.49Å; D21-I29 PolarHBondContact O-N 2.72Å; D21-I62 HydrophobicContact CB-CG2 4.16Å; D21-D63 VanDerWaalsContact OD2-CA 3.31Å; D21-D63 WeakPolarHBondContact OD2-CA 3.39Å; D21-R64 PolarHBondContact OD2-N 3.32Å; D21-K279 IonicContact OD2-NZ 3.75Å; D21-K279 PolarHBondContact OD2-NZ 3.38Å
22W93.4Very high92.9Very high2 Ų220.7 Ų20.71%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-103.5122.1-176.9-68.891.4000111.8C25 I28 L42 R64 K279 W280 Q286 A288W22-C25 WeakPolarHBondContact CZ3-O 3.24Å; W22-I28 HydrophobicContact CD2-CG1 4.04Å; W22-I28 HydrophobicContact CE3-CG1 3.61Å; W22-I28 HydrophobicContact CH2-CD1 3.95Å; W22-I28 HydrophobicContact CH2-CG1 3.93Å; W22-I28 HydrophobicContact CZ2-CD1 4.3Å; W22-I28 HydrophobicContact CZ2-CG1 4.27Å; W22-I28 HydrophobicContact CZ3-CD1 4.06Å; W22-I28 HydrophobicContact CZ3-CG1 3.58Å; W22-L42 HydrophobicContact CH2-CD1 3.81Å; W22-L42 HydrophobicContact CZ3-CD1 3.52Å; W22-R64 WeakPolarHBondContact O-CD 3.43Å; W22-R64 PolarHBondContact O-NH1 3.42Å; W22-K279 PolarHBondContact NE1-O 3.2Å; W22-W280 VanDerWaalsContact CD1-C 3.47Å; W22-W280 PolarHBondContact NE1-O 3.46Å; W22-Q286 HydrophobicContact CH2-CB 3.67Å; W22-Q286 HydrophobicContact CH2-CG 4.42Å; W22-Q286 HydrophobicContact CZ2-CB 3.79Å; W22-A288 HydrophobicContact CZ2-CB 3.76Å
23V90.1Very high93.2Very high5 Ų522.6 Ų22.63%0.0312%0.124CC..EExtended strand (participates in β ladder)trans-76.9-37.1169.7-170.90000110.5E27 I29 R64 E81 F83 K97V23-E27 HydrophobicContact CB-CB 4.11Å; V23-E27 HydrophobicContact CB-CG 4.05Å; V23-E27 WeakPolarHBondContact CG1-OE2 3.38Å; V23-E27 HydrophobicContact CG2-CG 4.04Å; V23-E27 PolarHBondContact N-O 2.97Å; V23-I29 HydrophobicContact CG2-CB 3.88Å; V23-I29 HydrophobicContact CG2-CG2 4.25Å; V23-R64 PolarHBondContact O-NH1 3.19Å; V23-R64 PolarHBondContact O-NH2 3.34Å; V23-E81 HydrophobicContact CG1-CB 4.27Å; V23-E81 HydrophobicContact CG1-CG 3.81Å; V23-F83 HydrophobicContact CG2-CZ 3.95Å; V23-K97 HydrophobicContact CG1-CD 4.18Å
24S84.4Confident93.3Very high38 Ų3824.1 Ų24.127%0.26613%0.133SC..EExtended strand (participates in β ladder)trans-152.6-177.7173.669.60000108.6D26 E27S24-D26 PolarHBondContact O-N 2.98Å; S24-D26 VanDerWaalsContact O-N 3.09Å; S24-D26 PolarHBondContact OG-N 3.43Å; S24-E27 PolarHBondContact N-O 2.75Å; S24-E27 PolarHBondContact OG-N 3.05Å
25C84Confident93.4Very high6 Ų621 Ų214%0.04111%0.11CC..THydrogen-bonded Turntrans-65.5-9.7174.6-56.90000113.7W22 Q286 R339W22-C25 WeakPolarHBondContact CZ3-O 3.24Å; C25-Q286 PolarHBondContact O-NE2 3.25Å; C25-R339 PolarHBondContact O-NH2 3.22Å; C25-R339 VanDerWaalsContact O-NH2 3.09Å
26D86.9Confident93.4Very high29 Ų2917.6 Ų17.616%0.1559%0.093CC..THydrogen-bonded Turntrans-127.44.7-174-59.9-43.9000113.3S24 L42 I43 R339S24-D26 PolarHBondContact O-N 2.98Å; S24-D26 VanDerWaalsContact O-N 3.09Å; S24-D26 PolarHBondContact OG-N 3.43Å; D26-L42 WeakPolarHBondContact O-CB 3.26Å; D26-L42 PolarHBondContact O-N 3.27Å; D26-I43 HydrophobicContact CB-CD1 3.74Å; D26-I43 HydrophobicContact CB-CG1 3.95Å; D26-R339 IonicContact OD1-CZ 2.72Å; D26-R339 VanDerWaalsContact OD1-CZ 3.24Å; D26-R339 IonicContact OD1-NH1 3.57Å; D26-R339 PolarHBondContact OD1-NH1 3.38Å; D26-R339 IonicContact OD1-NH2 2.66Å; D26-R339 PolarHBondContact OD1-NH2 3.04Å
27E91.7Very high93.4Very high27 Ų2715 Ų1513%0.1268%0.079CC..EExtended strand (participates in β ladder)trans-138.8125.4178.7-175.2-179.2-155.500111V23 S24 S39 W40 K97V23-E27 HydrophobicContact CB-CB 4.11Å; V23-E27 HydrophobicContact CB-CG 4.05Å; V23-E27 WeakPolarHBondContact CG1-OE2 3.38Å; V23-E27 HydrophobicContact CG2-CG 4.04Å; V23-E27 PolarHBondContact N-O 2.97Å; S24-E27 PolarHBondContact N-O 2.75Å; S24-E27 PolarHBondContact OG-N 3.05Å; E27-S39 WeakPolarHBondContact OE1-CB 3.46Å; E27-S39 PolarHBondContact OE1-OG 3Å; E27-W40 WeakPolarHBondContact CA-O 3.29Å; E27-K97 WeakPolarHBondContact OE1-CE 3.48Å; E27-K97 IonicContact OE1-NZ 3.93Å; E27-K97 PolarHBondContact OE1-NZ 3.24Å; E27-K97 IonicContact OE2-NZ 3.23Å; E27-K97 PolarHBondContact OE2-NZ 3.28Å
28I94.8Very high93.4Very high1 Ų116.1 Ų16.11%0.0058%0.084CC..EExtended strand (participates in β ladder)trans-103.5141.7179-61.9165.5000108.5V20 D21 W22 S39 W40 L42 A288 I296 N298V20-I28 HydrophobicContact CB-CG2 4.23Å; V20-I28 HydrophobicContact CG1-CG2 4.16Å; D21-I28 CarbonylContact O-C 3.54Å; D21-I28 WeakPolarHBondContact O-CA 3.46Å; W22-I28 HydrophobicContact CD2-CG1 4.04Å; W22-I28 HydrophobicContact CE3-CG1 3.61Å; W22-I28 HydrophobicContact CH2-CD1 3.95Å; W22-I28 HydrophobicContact CH2-CG1 3.93Å; W22-I28 HydrophobicContact CZ2-CD1 4.3Å; W22-I28 HydrophobicContact CZ2-CG1 4.27Å; W22-I28 HydrophobicContact CZ3-CD1 4.06Å; W22-I28 HydrophobicContact CZ3-CG1 3.58Å; I28-S39 CarbonylContact O-C 3.57Å; I28-S39 WeakPolarHBondContact O-CA 3.21Å; I28-W40 HydrophobicContact CD1-CE3 3.8Å; I28-W40 HydrophobicContact CD1-CZ3 3.96Å; I28-W40 PolarHBondContact N-O 3.22Å; I28-W40 PolarHBondContact O-N 3.11Å; I28-L42 HydrophobicContact CD1-CD1 4.09Å; I28-L42 HydrophobicContact CD1-CD2 3.97Å; I28-L42 HydrophobicContact CD1-CG 4.29Å; I28-L42 HydrophobicContact CG1-CD1 4.37Å; I28-A288 HydrophobicContact CD1-CB 3.58Å; I28-A288 HydrophobicContact CG1-CB 3.91Å; I28-A288 HydrophobicContact CG2-CB 3.96Å; I28-I296 HydrophobicContact CG2-CG2 4.34Å; I28-N298 HydrophobicContact CD1-CB 4.37Å
29I95.5Very high93.4Very high1 Ų115.6 Ų15.61%0.0058%0.081CC..EExtended strand (participates in β ladder)trans-107138.9165.2-169.2167.5000108.8V20 D21 V23 V37 K38 L50 I62 F83V20-I29 CarbonylContact C-O 3.54Å; V20-I29 VanDerWaalsContact CA-O 3.27Å; V20-I29 WeakPolarHBondContact CA-O 3.48Å; D21-I29 HydrophobicContact CB-CG2 3.95Å; D21-I29 PolarHBondContact N-O 3.15Å; D21-I29 WeakPolarHBondContact O-CG2 3.49Å; D21-I29 PolarHBondContact O-N 2.72Å; V23-I29 HydrophobicContact CG2-CB 3.88Å; V23-I29 HydrophobicContact CG2-CG2 4.25Å; I29-V37 HydrophobicContact CD1-CG1 3.88Å; I29-V37 HydrophobicContact CG1-CG1 4.03Å; I29-K38 WeakPolarHBondContact CA-O 3.47Å; I29-K38 WeakPolarHBondContact CG1-O 3.5Å; I29-L50 HydrophobicContact CD1-CD1 3.9Å; I29-L50 HydrophobicContact CG1-CD1 4.26Å; I29-I62 HydrophobicContact CD1-CD1 4.13Å; I29-I62 HydrophobicContact CG1-CD1 4.3Å; I29-I62 HydrophobicContact CG2-CD1 4.09Å; I29-F83 HydrophobicContact CD1-CD2 3.98Å; I29-F83 HydrophobicContact CD1-CE1 4.45Å; I29-F83 HydrophobicContact CD1-CE2 3.88Å; I29-F83 HydrophobicContact CD1-CG 4.35Å; I29-F83 HydrophobicContact CD1-CZ 4.14Å; I29-F83 HydrophobicContact CG2-CD1 3.94Å; I29-F83 HydrophobicContact CG2-CE1 3.51Å; I29-F83 HydrophobicContact CG2-CZ 3.97Å
30S96.3Very high93.2Very high1 Ų115.6 Ų15.61%0.0078%0.08CC..EExtended strand (participates in β ladder)trans-135.4149-178.659.70000111.7H13 K38H13-S30 WeakPolarHBondContact NE2-CB 3.29Å; H13-S30 PolarHBondContact NE2-OG 3.1Å; S30-K38 PolarHBondContact N-O 3.08Å; S30-K38 PolarHBondContact O-N 2.86Å
31I96.5Very high93Very high0 Ų018 Ų180%09%0.093CC..EExtended strand (participates in β ladder)trans-133.3143.8179.649.7156.8000110.5S18 S19 V37 P59 I62 L85S18-I31 PolarHBondContact N-O 3.35Å; S18-I31 WeakPolarHBondContact OG-CD1 3.46Å; S18-I31 WeakPolarHBondContact OG-CG1 3.24Å; S18-I31 PolarHBondContact OG-O 2.9Å; S19-I31 PolarHBondContact N-O 3.39Å; S19-I31 VanDerWaalsContact O-CG1 3.31Å; S19-I31 WeakPolarHBondContact O-CG1 3.41Å; S19-I31 PolarHBondContact O-N 3.21Å; I31-V37 HydrophobicContact CG2-CB 4.38Å; I31-V37 HydrophobicContact CG2-CG1 4.01Å; I31-V37 HydrophobicContact CG2-CG2 4.03Å; I31-P59 HydrophobicContact CB-CB 4.15Å; I31-P59 HydrophobicContact CB-CG 3.9Å; I31-P59 HydrophobicContact CD1-CB 3.64Å; I31-P59 HydrophobicContact CD1-CG 4.2Å; I31-P59 HydrophobicContact CG1-CB 4.44Å; I31-I62 HydrophobicContact CD1-CB 3.69Å; I31-I62 HydrophobicContact CD1-CG2 4.03Å; I31-I62 HydrophobicContact CG1-CB 4.09Å; I31-I62 HydrophobicContact CG1-CG2 3.96Å; I31-I62 HydrophobicContact CG2-CD1 4.08Å; I31-L85 HydrophobicContact CD1-CD1 4.3Å; I31-L85 HydrophobicContact CD1-CG 4.48Å; I31-L85 HydrophobicContact CG2-CD1 4.01Å
32A96.6Very high92.6Very high0 Ų018.4 Ų18.40%010%0.095CC..EExtended strand (participates in β ladder)trans-148.3170.2-174.900000112.9H13 L16 A17 D34 R35 P59H13-A32 HydrophobicContact CB-CB 3.57Å; H13-A32 WeakPolarHBondContact ND1-CB 3.39Å; L16-A32 CarbonylContact O-C 3.42Å; L16-A32 WeakPolarHBondContact O-CA 3.18Å; L16-A32 WeakPolarHBondContact O-CB 3.33Å; A17-A32 HydrophobicContact CB-CB 4.46Å; A32-D34 WeakPolarHBondContact CB-OD1 3.39Å; A32-D34 PolarHBondContact O-N 3.48Å; A32-R35 WeakPolarHBondContact O-CA 3.19Å; A32-R35 PolarHBondContact O-N 2.88Å; A32-P59 WeakPolarHBondContact O-CD 3.36Å; A32-P59 WeakPolarHBondContact O-CG 3.29Å
33D95.4Very high92.2Very high46 Ų4624.1 Ų24.125%0.24612%0.124CC..THydrogen-bonded Turntrans-68.6-13.5178.5-76.9-9.2000113.4D15 L16 R35 F58D15-D33 HydrophobicContact CB-CB 4.06Å; L16-D33 HydrophobicContact CB-CB 4.42Å; L16-D33 PolarHBondContact O-N 3.16Å; D33-R35 PolarHBondContact O-N 3.29Å; D33-R35 VanDerWaalsContact O-N 3.12Å; D33-F58 HydrophobicContact CB-CD1 4.37Å
34D94.8Very high92Very high33 Ų3326.6 Ų26.618%0.17614%0.142CC..THydrogen-bonded Turntrans-68.7-3.2166.870.73.6000112.8H13 N14 D15 A32 A36H13-D34 WeakPolarHBondContact CA-OD2 3.34Å; H13-D34 WeakPolarHBondContact CB-OD2 3.45Å; H13-D34 IonicContact CG-OD2 2.82Å; H13-D34 IonicContact ND1-OD1 3.7Å; H13-D34 PolarHBondContact ND1-OD1 3.01Å; H13-D34 VanDerWaalsContact ND1-OD1 3.14Å; H13-D34 IonicContact ND1-OD2 2.79Å; H13-D34 PolarHBondContact ND1-OD2 3.22Å; N14-D34 HydrophobicContact CB-CB 4.33Å; N14-D34 PolarHBondContact N-OD2 3.46Å; D15-D34 HydrophobicContact CB-CB 3.91Å; A32-D34 WeakPolarHBondContact CB-OD1 3.39Å; A32-D34 PolarHBondContact O-N 3.48Å; D34-A36 PolarHBondContact O-N 3.35Å; D34-A36 VanDerWaalsContact OD1-CB 3.22Å; D34-A36 WeakPolarHBondContact OD1-CB 3.21Å; D34-A36 PolarHBondContact OD1-N 3.4Å
35R93.6Very high92.1Very high84 Ų8428.2 Ų28.232%0.31715%0.148SC..  trans66.312.2-178.9-55.9169.2-68.2-147.5-7.7113A32 D33 S52 L53 Q55 F58A32-R35 WeakPolarHBondContact O-CA 3.19Å; A32-R35 PolarHBondContact O-N 2.88Å; D33-R35 PolarHBondContact O-N 3.29Å; D33-R35 VanDerWaalsContact O-N 3.12Å; R35-S52 CarbonylContact O-C 3.56Å; R35-S52 VanDerWaalsContact O-CA 3.29Å; R35-S52 WeakPolarHBondContact O-CA 3.2Å; R35-L53 HydrophobicContact CB-CB 4.16Å; R35-L53 PolarHBondContact O-N 2.71Å; R35-Q55 PolarHBondContact NH1-O 2.93Å; R35-F58 HydrophobicContact CG-CD1 4.31Å; R35-F58 HydrophobicContact CG-CE1 4.31Å
36A93.4Very high92.4Very high11 Ų1134.4 Ų34.49%0.09118%0.176CC..EExtended strand (participates in β ladder)trans-84.5137.9175.300000110.4H13 D34 K38H13-A36 PolarHBondContact CE1-O 3.09Å; D34-A36 PolarHBondContact O-N 3.35Å; D34-A36 VanDerWaalsContact OD1-CB 3.22Å; D34-A36 WeakPolarHBondContact OD1-CB 3.21Å; D34-A36 PolarHBondContact OD1-N 3.4Å; A36-K38 HydrophobicContact CB-CD 4.4Å; A36-K38 HydrophobicContact CB-CG 4Å
37V94.5Very high92.7Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-104117.5162.5-170.80000106.5I29 I31 L50 F51 L53 I95I29-V37 HydrophobicContact CD1-CG1 3.88Å; I29-V37 HydrophobicContact CG1-CG1 4.03Å; I31-V37 HydrophobicContact CG2-CB 4.38Å; I31-V37 HydrophobicContact CG2-CG1 4.01Å; I31-V37 HydrophobicContact CG2-CG2 4.03Å; V37-L50 HydrophobicContact CG1-CD1 4.21Å; V37-L50 WeakPolarHBondContact O-CB 3.11Å; V37-L50 PolarHBondContact O-N 3.05Å; V37-F51 HydrophobicContact CB-CD2 4.44Å; V37-F51 HydrophobicContact CB-CE1 4.26Å; V37-F51 HydrophobicContact CB-CE2 4.19Å; V37-F51 HydrophobicContact CB-CZ 4.09Å; V37-F51 HydrophobicContact CG1-CE1 4.31Å; V37-F51 HydrophobicContact CG1-CZ 4.23Å; V37-F51 HydrophobicContact CG2-CD2 4.06Å; V37-F51 HydrophobicContact CG2-CE1 4.47Å; V37-F51 HydrophobicContact CG2-CE2 3.58Å; V37-F51 HydrophobicContact CG2-CZ 3.82Å; V37-F51 PolarHBondContact N-O 2.97Å; V37-F51 PolarHBondContact O-N 3.47Å; V37-L53 HydrophobicContact CG2-CD1 4.38Å; V37-L53 HydrophobicContact CG2-CD2 4.1Å; V37-L53 HydrophobicContact CG2-CG 3.99Å; V37-I95 HydrophobicContact CG1-CD1 4.49Å
38K95Very high92.7Very high23 Ų2336.5 Ų36.510%0.119%0.194CC..EExtended strand (participates in β ladder)trans-122151.3-175.7-58.8-169-175.5-151.30110.5I12 I29 S30 A36 V47 S48 D49I12-K38 HydrophobicContact CG2-CB 4.4Å; I12-K38 HydrophobicContact CG2-CD 3.86Å; I12-K38 WeakPolarHBondContact O-CD 3.28Å; I12-K38 VanDerWaalsContact O-CE 3.26Å; I12-K38 WeakPolarHBondContact O-CE 3.44Å; I12-K38 PolarHBondContact O-NZ 3.4Å; I29-K38 WeakPolarHBondContact CA-O 3.47Å; I29-K38 WeakPolarHBondContact CG1-O 3.5Å; S30-K38 PolarHBondContact N-O 3.08Å; S30-K38 PolarHBondContact O-N 2.86Å; A36-K38 HydrophobicContact CB-CD 4.4Å; A36-K38 HydrophobicContact CB-CG 4Å; K38-V47 HydrophobicContact CB-CG1 4.23Å; K38-V47 HydrophobicContact CD-CG1 3.97Å; K38-S48 CarbonylContact C-O 3.52Å; K38-S48 VanDerWaalsContact CA-O 3.31Å; K38-S48 WeakPolarHBondContact CA-O 3.44Å; K38-D49 VanDerWaalsContact CD-OD1 3.26Å; K38-D49 WeakPolarHBondContact CD-OD1 3.39Å; K38-D49 WeakPolarHBondContact CE-OD1 3.28Å; K38-D49 WeakPolarHBondContact CG-OD1 3.43Å; K38-D49 IonicContact NZ-OD1 3.02Å; K38-D49 PolarHBondContact NZ-OD1 3.21Å
39S94.2Very high92.5Very high2 Ų242 Ų421%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-115.4141.716482.30000111E27 I28 V47 S48E27-S39 WeakPolarHBondContact OE1-CB 3.46Å; E27-S39 PolarHBondContact OE1-OG 3Å; I28-S39 CarbonylContact O-C 3.57Å; I28-S39 WeakPolarHBondContact O-CA 3.21Å; S39-V47 CarbonylContact O-C 3.55Å; S39-V47 WeakPolarHBondContact O-CA 3.5Å; S39-S48 PolarHBondContact N-O 3.19Å; S39-S48 PolarHBondContact O-N 3.46Å; S39-S48 PolarHBondContact OG-OG 3.38Å
40W94Very high92.3Very high5 Ų544 Ų442%0.01923%0.233CC..EExtended strand (participates in β ladder)trans-119115.3176.9175.731.6000108.9N8 I12 E27 I28 L42 D45 V47 I296 N298N8-W40 WeakPolarHBondContact ND2-CZ2 3.5Å; I12-W40 HydrophobicContact CD1-CB 4.08Å; I12-W40 HydrophobicContact CD1-CD2 3.85Å; I12-W40 HydrophobicContact CD1-CE3 3.88Å; I12-W40 HydrophobicContact CD1-CG 3.95Å; E27-W40 WeakPolarHBondContact CA-O 3.29Å; I28-W40 HydrophobicContact CD1-CE3 3.8Å; I28-W40 HydrophobicContact CD1-CZ3 3.96Å; I28-W40 PolarHBondContact N-O 3.22Å; I28-W40 PolarHBondContact O-N 3.11Å; W40-L42 HydrophobicContact CD2-CD2 3.76Å; W40-L42 HydrophobicContact CE3-CD2 3.84Å; W40-L42 HydrophobicContact CH2-CD2 3.59Å; W40-L42 HydrophobicContact CZ2-CD2 3.47Å; W40-L42 VanDerWaalsContact CZ2-CD2 3.47Å; W40-L42 HydrophobicContact CZ3-CD2 3.77Å; W40-D45 PolarHBondContact NE1-OD1 3.28Å; W40-V47 HydrophobicContact CB-CG2 4.32Å; W40-V47 HydrophobicContact CG-CG2 4.22Å; W40-I296 HydrophobicContact CE3-CB 4.43Å; W40-I296 HydrophobicContact CE3-CG2 3.98Å; W40-I296 HydrophobicContact CZ3-CG2 4.07Å; W40-N298 HydrophobicContact CH2-CB 3.79Å; W40-N298 HydrophobicContact CZ3-CB 3.92Å
41N91.6Very high92.1Very high50 Ų5044.6 Ų44.627%0.26724%0.236SC..EExtended strand (participates in β ladder)trans-88118.3173.6-175.1-55.6000109.2I43 S44 D45 Q46N41-I43 VanDerWaalsContact C-N 3.33Å; N41-I43 PolarHBondContact O-N 3.49Å; N41-I43 WeakPolarHBondContact OD1-CB 3.46Å; N41-I43 PolarHBondContact OD1-N 3.3Å; N41-S44 WeakPolarHBondContact CB-OG 3.48Å; N41-S44 PolarHBondContact OD1-N 3.49Å; N41-S44 PolarHBondContact OD1-OG 3.02Å; N41-D45 WeakPolarHBondContact O-CA 3.34Å; N41-D45 PolarHBondContact O-N 3.44Å; N41-Q46 PolarHBondContact N-O 2.92Å; N41-Q46 PolarHBondContact O-N 2.87Å
42L88Confident91.9Very high23 Ų2349.1 Ų49.112%0.1227%0.267CS..THydrogen-bonded Turntrans-75.9-20-174.4-63.2172.1000113.6W22 D26 I28 W40 N298W22-L42 HydrophobicContact CH2-CD1 3.81Å; W22-L42 HydrophobicContact CZ3-CD1 3.52Å; D26-L42 WeakPolarHBondContact O-CB 3.26Å; D26-L42 PolarHBondContact O-N 3.27Å; I28-L42 HydrophobicContact CD1-CD1 4.09Å; I28-L42 HydrophobicContact CD1-CD2 3.97Å; I28-L42 HydrophobicContact CD1-CG 4.29Å; I28-L42 HydrophobicContact CG1-CD1 4.37Å; W40-L42 HydrophobicContact CD2-CD2 3.76Å; W40-L42 HydrophobicContact CE3-CD2 3.84Å; W40-L42 HydrophobicContact CH2-CD2 3.59Å; W40-L42 HydrophobicContact CZ2-CD2 3.47Å; W40-L42 VanDerWaalsContact CZ2-CD2 3.47Å; W40-L42 HydrophobicContact CZ3-CD2 3.77Å; L42-N298 WeakPolarHBondContact CD1-ND2 3.33Å; L42-N298 HydrophobicContact CD2-CB 3.97Å; L42-N298 WeakPolarHBondContact CD2-ND2 3.46Å
43I84.9Confident91.7Very high122 Ų12249.5 Ų49.563%0.62627%0.27SS*.THydrogen-bonded Turntrans-80.9-48.7179.6-60.8168.9000109.8D26 N41 D45D26-I43 HydrophobicContact CB-CD1 3.74Å; D26-I43 HydrophobicContact CB-CG1 3.95Å; N41-I43 VanDerWaalsContact C-N 3.33Å; N41-I43 PolarHBondContact O-N 3.49Å; N41-I43 WeakPolarHBondContact OD1-CB 3.46Å; N41-I43 PolarHBondContact OD1-N 3.3Å; I43-D45 VanDerWaalsContact C-N 3.33Å
44S86.4Confident91.5Very high57 Ų5750.4 Ų50.440%0.39928%0.278SS..THydrogen-bonded Turntrans-86.1-8.5179.462.80000113.3N41 Q46N41-S44 WeakPolarHBondContact CB-OG 3.48Å; N41-S44 PolarHBondContact OD1-N 3.49Å; N41-S44 PolarHBondContact OD1-OG 3.02Å; S44-Q46 PolarHBondContact O-N 2.9Å; S44-Q46 WeakPolarHBondContact OG-CB 3.33Å
45D87.2Confident91.1Very high72 Ų7256.1 Ų56.139%0.38530%0.304SS..THydrogen-bonded Turntrans48.737.8-168.7-160.633.6000112.7N8 W40 N41 I43N8-D45 PolarHBondContact ND2-OD1 3.41Å; W40-D45 PolarHBondContact NE1-OD1 3.28Å; N41-D45 WeakPolarHBondContact O-CA 3.34Å; N41-D45 PolarHBondContact O-N 3.44Å; I43-D45 VanDerWaalsContact C-N 3.33Å
46Q90.4Very high90.7Very high135 Ų13558.1 Ų58.163%0.63132%0.32SS*.EExtended strand (participates in β ladder)trans-104.5129.7-178.8-70.8-177.9-0.900110.1N41 S44N41-Q46 PolarHBondContact N-O 2.92Å; N41-Q46 PolarHBondContact O-N 2.87Å; S44-Q46 PolarHBondContact O-N 2.9Å; S44-Q46 WeakPolarHBondContact OG-CB 3.33Å
47V91.8Very high90.7Very high50 Ų5057.8 Ų57.830%0.30332%0.317SS..EExtended strand (participates in β ladder)trans-96.5127.3170.2-178.90000108.8F10 I12 K38 S39 W40F10-V47 HydrophobicContact CD2-CG2 4.41Å; F10-V47 HydrophobicContact CE2-CG2 3.51Å; F10-V47 HydrophobicContact CZ-CG2 4.12Å; I12-V47 HydrophobicContact CD1-CG2 3.9Å; I12-V47 HydrophobicContact CG1-CG2 4.2Å; I12-V47 HydrophobicContact CG2-CG1 3.97Å; K38-V47 HydrophobicContact CB-CG1 4.23Å; K38-V47 HydrophobicContact CD-CG1 3.97Å; S39-V47 CarbonylContact O-C 3.55Å; S39-V47 WeakPolarHBondContact O-CA 3.5Å; W40-V47 HydrophobicContact CB-CG2 4.32Å; W40-V47 HydrophobicContact CG-CG2 4.22Å
48S92Very high90.7Very high51 Ų5161.3 Ų61.336%0.35733%0.333SS..EExtended strand (participates in β ladder)trans-113.7129.5174.175.30000110.8K38 S39 L50K38-S48 CarbonylContact C-O 3.52Å; K38-S48 VanDerWaalsContact CA-O 3.31Å; K38-S48 WeakPolarHBondContact CA-O 3.44Å; S39-S48 PolarHBondContact N-O 3.19Å; S39-S48 PolarHBondContact O-N 3.46Å; S39-S48 PolarHBondContact OG-OG 3.38Å; S48-L50 PolarHBondContact O-N 3.43Å
49D91Very high90.8Very high115 Ų11560.3 Ų60.362%0.61533%0.328SS*.EExtended strand (participates in β ladder)trans-76.7109.9169.9-63.4-54.9000108.3K38K38-D49 VanDerWaalsContact CD-OD1 3.26Å; K38-D49 WeakPolarHBondContact CD-OD1 3.39Å; K38-D49 WeakPolarHBondContact CE-OD1 3.28Å; K38-D49 WeakPolarHBondContact CG-OD1 3.43Å; K38-D49 IonicContact NZ-OD1 3.02Å; K38-D49 PolarHBondContact NZ-OD1 3.21Å
50L91.3Very high90.9Very high43 Ų4362 Ų6223%0.22534%0.339CS..EExtended strand (participates in β ladder)trans-75.6-54.1-179.4-60.6177.9000110I29 V37 S48 K97I29-L50 HydrophobicContact CD1-CD1 3.9Å; I29-L50 HydrophobicContact CG1-CD1 4.26Å; V37-L50 HydrophobicContact CG1-CD1 4.21Å; V37-L50 WeakPolarHBondContact O-CB 3.11Å; V37-L50 PolarHBondContact O-N 3.05Å; S48-L50 PolarHBondContact O-N 3.43Å; L50-K97 HydrophobicContact CD1-CG 3.93Å; L50-K97 HydrophobicContact CD2-CG 4.12Å
51F91.6Very high91.1Very high15 Ų1562.1 Ų62.17%0.06634%0.341CS..EExtended strand (participates in β ladder)trans-170.2168.6174.756-86.8000111.1V37 L53 I95 R100V37-F51 HydrophobicContact CB-CD2 4.44Å; V37-F51 HydrophobicContact CB-CE1 4.26Å; V37-F51 HydrophobicContact CB-CE2 4.19Å; V37-F51 HydrophobicContact CB-CZ 4.09Å; V37-F51 HydrophobicContact CG1-CE1 4.31Å; V37-F51 HydrophobicContact CG1-CZ 4.23Å; V37-F51 HydrophobicContact CG2-CD2 4.06Å; V37-F51 HydrophobicContact CG2-CE1 4.47Å; V37-F51 HydrophobicContact CG2-CE2 3.58Å; V37-F51 HydrophobicContact CG2-CZ 3.82Å; V37-F51 PolarHBondContact N-O 2.97Å; V37-F51 PolarHBondContact O-N 3.47Å; F51-L53 HydrophobicContact CE2-CD2 4.08Å; F51-I95 HydrophobicContact CZ-CB 4.18Å; F51-I95 HydrophobicContact CZ-CD1 4.14Å; F51-I95 HydrophobicContact CZ-CG2 4.33Å; F51-R100 HydrophobicContact CB-CG 3.96Å; F51-R100 HydrophobicContact CD1-CB 4.4Å; F51-R100 HydrophobicContact CD1-CG 4Å; F51-R100 HydrophobicContact CD2-CB 4.35Å; F51-R100 HydrophobicContact CD2-CG 4.29Å; F51-R100 HydrophobicContact CE2-CB 4.49Å; F51-R100 HydrophobicContact CG-CB 4.3Å; F51-R100 HydrophobicContact CG-CG 3.83Å
52S92.4Very high91.4Very high94 Ų9459.8 Ų59.866%0.65733%0.328SS*.EExtended strand (participates in β ladder)trans-103.6139.6171.4-51.90000111.1R35R35-S52 CarbonylContact O-C 3.56Å; R35-S52 VanDerWaalsContact O-CA 3.29Å; R35-S52 WeakPolarHBondContact O-CA 3.2Å
53L92.8Very high91.8Very high9 Ų959.4 Ų59.45%0.04733%0.326CS..PPolyproline II helixtrans-69.6157.3172.6-62.1168.1000110.6R35 V37 F51 V57 P59 L85R35-L53 HydrophobicContact CB-CB 4.16Å; R35-L53 PolarHBondContact O-N 2.71Å; V37-L53 HydrophobicContact CG2-CD1 4.38Å; V37-L53 HydrophobicContact CG2-CD2 4.1Å; V37-L53 HydrophobicContact CG2-CG 3.99Å; F51-L53 HydrophobicContact CE2-CD2 4.08Å; L53-V57 HydrophobicContact CB-CB 4.25Å; L53-V57 HydrophobicContact CB-CG1 4.33Å; L53-V57 HydrophobicContact CD1-CG1 4.38Å; L53-P59 HydrophobicContact CD1-CB 3.74Å; L53-P59 HydrophobicContact CD1-CG 3.68Å; L53-L85 HydrophobicContact CD1-CD1 4.19Å; L53-L85 HydrophobicContact CD2-CD1 4.26Å
54P91.6Very high92.2Very high64 Ų6455.1 Ų55.142%0.41630%0.302SS..PPolyproline II helixtrans-57.5156.9176.7-21.932.3000112.8N56 V57 I101P54-N56 PolarHBondContact O-N 2.85Å; P54-V57 HydrophobicContact CB-CG2 3.9Å; P54-V57 HydrophobicContact CG-CG2 4.04Å; P54-V57 PolarHBondContact O-N 3.09Å; P54-I101 HydrophobicContact CG-CD1 4.17Å
55Q84.8Confident92.5Very high154 Ų15453 Ų5372%0.7229%0.286SS*.THydrogen-bonded Turntrans-55.2-28.8-167.1-167.7171.9-1.100115.3R35R35-Q55 PolarHBondContact NH1-O 2.93Å
56N86.6Confident92.3Very high125 Ų12551.6 Ų51.667%0.66828%0.281SS*.THydrogen-bonded Turntrans-106.713.6-176.9-61.2-17.1000113.7P54P54-N56 PolarHBondContact O-N 2.85Å
57V92.4Very high91.5Very high5 Ų552.6 Ų52.63%0.0328%0.279CS..  trans-110.3103.3-176.1-177.80000108.8L53 P54 A87 Y93L53-V57 HydrophobicContact CB-CB 4.25Å; L53-V57 HydrophobicContact CB-CG1 4.33Å; L53-V57 HydrophobicContact CD1-CG1 4.38Å; P54-V57 HydrophobicContact CB-CG2 3.9Å; P54-V57 HydrophobicContact CG-CG2 4.04Å; P54-V57 PolarHBondContact O-N 3.09Å; V57-A87 HydrophobicContact CG1-CB 3.68Å; V57-Y93 HydrophobicContact CG1-CD2 4.34Å; V57-Y93 HydrophobicContact CG1-CE2 3.62Å; V57-Y93 HydrophobicContact CG2-CE2 4.46Å; V57-Y93 VanDerWaalsContact CG2-OH 3.25Å; V57-Y93 WeakPolarHBondContact CG2-OH 3.29Å
58F95.6Very high90.1Very high74 Ų7453.6 Ų53.633%0.32528%0.28SS..  trans-100.8120.9172.1-58.1-91.2000108.8D33 R35 A87 T88D33-F58 HydrophobicContact CB-CD1 4.37Å; R35-F58 HydrophobicContact CG-CD1 4.31Å; R35-F58 HydrophobicContact CG-CE1 4.31Å; F58-A87 CarbonylContact O-C 3.51Å; F58-A87 WeakPolarHBondContact O-CA 3.4Å; F58-A87 VanDerWaalsContact O-CB 3.32Å; F58-A87 WeakPolarHBondContact O-CB 3.3Å; F58-T88 HydrophobicContact CB-CG2 3.97Å; F58-T88 WeakPolarHBondContact CB-OG1 3.48Å; F58-T88 PolarHBondContact O-N 3.45Å; F58-T88 PolarHBondContact O-OG1 3.05Å
59P96.6Very high88.2Confident1 Ų156.6 Ų56.61%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-81143.6-17337.3-37.7000110.6S18 I31 A32 L53 L85 G86S18-P59 WeakPolarHBondContact CB-O 3.43Å; S18-P59 PolarHBondContact OG-O 3.22Å; I31-P59 HydrophobicContact CB-CB 4.15Å; I31-P59 HydrophobicContact CB-CG 3.9Å; I31-P59 HydrophobicContact CD1-CB 3.64Å; I31-P59 HydrophobicContact CD1-CG 4.2Å; I31-P59 HydrophobicContact CG1-CB 4.44Å; A32-P59 WeakPolarHBondContact O-CD 3.36Å; A32-P59 WeakPolarHBondContact O-CG 3.29Å; L53-P59 HydrophobicContact CD1-CB 3.74Å; L53-P59 HydrophobicContact CD1-CG 3.68Å; P59-L85 HydrophobicContact CB-CD1 3.95Å; P59-L85 HydrophobicContact CB-CD2 4.02Å; P59-L85 HydrophobicContact CB-CG 4.1Å; P59-G86 WeakPolarHBondContact CA-O 3.3Å
60T96.9Very high85.9Confident37 Ų3755 Ų5523%0.22728%0.279CS..EExtended strand (participates in β ladder)trans-113.7-33.5-176.554.80000112.4G86 T88 V112T60-G86 PolarHBondContact N-O 3.26Å; T60-G86 PolarHBondContact OG1-O 2.87Å; T60-G86 VanDerWaalsContact OG1-O 3.13Å; T60-T88 HydrophobicContact CG2-CG2 3.69Å; T60-V112 VanDerWaalsContact CB-O 3.31Å; T60-V112 WeakPolarHBondContact CB-O 3.47Å; T60-V112 WeakPolarHBondContact CG2-O 3.44Å; T60-V112 PolarHBondContact OG1-O 3.4Å
61C97.2Very high83.5Confident9 Ų961.1 Ų61.16%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-152.9151.4-177.758.80000110.6L85 G86 A115C61-L85 WeakPolarHBondContact O-CA 3.18Å; C61-G86 PolarHBondContact O-N 3.3Å; C61-A115 PolarHBondContact SG-N 2.63Å; C61-A115 VanDerWaalsContact SG-N 3.37Å
62I97.2Very high81Confident0 Ų069.2 Ų69.20%034%0.341CS..EExtended strand (participates in β ladder)trans-131146170.7-168.2165.6000109.7S19 D21 I29 I31 F83 L84 I95S19-I62 PolarHBondContact OG-N 3.49Å; D21-I62 HydrophobicContact CB-CG2 4.16Å; I29-I62 HydrophobicContact CD1-CD1 4.13Å; I29-I62 HydrophobicContact CG1-CD1 4.3Å; I29-I62 HydrophobicContact CG2-CD1 4.09Å; I31-I62 HydrophobicContact CD1-CB 3.69Å; I31-I62 HydrophobicContact CD1-CG2 4.03Å; I31-I62 HydrophobicContact CG1-CB 4.09Å; I31-I62 HydrophobicContact CG1-CG2 3.96Å; I31-I62 HydrophobicContact CG2-CD1 4.08Å; I62-F83 HydrophobicContact CD1-CB 3.88Å; I62-F83 HydrophobicContact CD1-CD1 4.1Å; I62-F83 HydrophobicContact CD1-CG 4.07Å; I62-F83 HydrophobicContact CG1-CB 3.81Å; I62-F83 HydrophobicContact CG1-CD1 4.16Å; I62-F83 HydrophobicContact CG1-CG 4.31Å; I62-L84 CarbonylContact C-O 3.06Å; I62-L84 VanDerWaalsContact CA-O 3.28Å; I62-L84 WeakPolarHBondContact CA-O 3.49Å; I62-I95 HydrophobicContact CD1-CD1 4.12Å
63D96.8Very high78.1Confident16 Ų1667.4 Ų67.49%0.08633%0.328CS..EExtended strand (participates in β ladder)trans-147.2125.7176.4-154.261.6000110.6D21 F83 L84 A115 K116 W117 K279D21-D63 VanDerWaalsContact OD2-CA 3.31Å; D21-D63 WeakPolarHBondContact OD2-CA 3.39Å; D63-F83 CarbonylContact O-C 3.6Å; D63-F83 WeakPolarHBondContact O-CA 3.45Å; D63-L84 PolarHBondContact N-O 3.03Å; D63-L84 PolarHBondContact O-N 2.9Å; D63-A115 WeakPolarHBondContact CB-O 3.42Å; D63-K116 HydrophobicContact CB-CD 4.19Å; D63-K116 VanDerWaalsContact CG-CD 3.46Å; D63-K116 VanDerWaalsContact OD1-CD 3.3Å; D63-K116 WeakPolarHBondContact OD1-CD 3.41Å; D63-K116 IonicContact OD1-NZ 3.74Å; D63-K116 PolarHBondContact OD1-NZ 2.86Å; D63-K116 WeakPolarHBondContact OD2-CA 3.47Å; D63-W117 VanDerWaalsContact O-CD1 3.3Å; D63-W117 PolarHBondContact O-NE1 2.63Å; D63-W117 PolarHBondContact OD2-N 3.24Å; D63-K279 IonicContact OD1-NZ 3.58Å; D63-K279 PolarHBondContact OD1-NZ 2.93Å
64R94.6Very high75.4Confident31 Ų3174 Ų7412%0.11737%0.369CS..EExtended strand (participates in β ladder)trans-75140.4-179.5-177.4172.5171-158.34.7111.7D21 W22 V23 P66 E81 F83 W117D21-R64 PolarHBondContact OD2-N 3.32Å; W22-R64 WeakPolarHBondContact O-CD 3.43Å; W22-R64 PolarHBondContact O-NH1 3.42Å; V23-R64 PolarHBondContact O-NH1 3.19Å; V23-R64 PolarHBondContact O-NH2 3.34Å; R64-P66 WeakPolarHBondContact O-CD 3.48Å; R64-E81 IonicContact CZ-OE1 2.79Å; R64-E81 IonicContact CZ-OE2 3.07Å; R64-E81 IonicContact NE-OE2 3.58Å; R64-E81 PolarHBondContact NE-OE2 2.89Å; R64-E81 IonicContact NH2-OE1 3.71Å; R64-E81 PolarHBondContact NH2-OE1 3.01Å; R64-E81 IonicContact NH2-OE2 2.84Å; R64-E81 PolarHBondContact NH2-OE2 3.42Å; R64-F83 HydrophobicContact CB-CD1 3.66Å; R64-F83 HydrophobicContact CB-CE1 3.6Å; R64-F83 HydrophobicContact CG-CD1 4.03Å; R64-F83 HydrophobicContact CG-CE1 3.65Å; R64-F83 HydrophobicContact CG-CZ 4.24Å; R64-W117 VanDerWaalsContact C-CD1 3.42Å; R64-W117 VanDerWaalsContact O-CD1 3.3Å
65L91.9Very high72.7Confident14 Ų1478.9 Ų78.97%0.07338%0.384CS..PPolyproline II helixtrans-65124169.4-17870.5000110I82 W117L65-I82 HydrophobicContact CB-CB 4.01Å; L65-I82 HydrophobicContact CB-CG2 4.15Å; L65-I82 WeakPolarHBondContact CB-O 3.27Å; L65-I82 HydrophobicContact CD2-CB 3.97Å; L65-I82 HydrophobicContact CD2-CD1 3.94Å; L65-I82 HydrophobicContact CD2-CG2 4.22Å; L65-I82 PolarHBondContact N-O 3.44Å; L65-W117 HydrophobicContact CB-CD2 4.49Å; L65-W117 HydrophobicContact CD1-CD2 3.54Å; L65-W117 HydrophobicContact CD1-CE3 3.5Å; L65-W117 HydrophobicContact CD1-CG 4.14Å; L65-W117 HydrophobicContact CD1-CH2 4.12Å; L65-W117 HydrophobicContact CD1-CZ2 4.12Å; L65-W117 HydrophobicContact CD1-CZ3 3.8Å
66P83.4Confident70.5Confident41 Ų4178.3 Ų78.327%0.26639%0.391SS..PPolyproline II helixtrans-58.3142.5174.9-25.435.7000111.8R64 Q68 W117R64-P66 WeakPolarHBondContact O-CD 3.48Å; P66-Q68 PolarHBondContact O-N 2.95Å; P66-W117 HydrophobicContact CG-CB 4.4Å
67R72.7Confident68.2Low156 Ų15676.2 Ų76.259%0.58939%0.386SS*.PPolyproline II helixtrans-67.6121.7179.7-74.6-176.1170.6175.4-1.5110.1E81R67-E81 IonicContact CZ-OE1 3.54Å; R67-E81 IonicContact NE-OE1 2.76Å; R67-E81 IonicContact NH2-OE1 3.69Å; R67-E81 PolarHBondContact NH2-OE1 3.28Å
68Q62.3Low66.1Low71 Ų7186.8 Ų86.833%0.33243%0.425SS..PPolyproline II helixtrans-83.7142178.9-69.8-170.4-30.500112P66 T70 D120 R138P66-Q68 PolarHBondContact O-N 2.95Å; Q68-T70 PolarHBondContact O-N 2.9Å; Q68-D120 PolarHBondContact NE2-O 3.41Å; Q68-R138 VanDerWaalsContact OE1-NH1 3.08Å
69R52.3Low64.2Low114 Ų11487.3 Ų87.343%0.4343%0.429SS..  trans-69.699.8167.2-69.9176.771.7-173.69.1109.4K71R69-K71 PolarHBondContact O-N 3.03Å
70T42.4Very low62.8Low83 Ų8388.7 Ų88.751%0.50944%0.438SS..  trans-68.4107.2164.758.10000108.7Q68 H72Q68-T70 PolarHBondContact O-N 2.9Å; T70-H72 PolarHBondContact O-N 3.23Å; T70-H72 VanDerWaalsContact O-N 3.09Å
71K42Very low62.3Low171 Ų17188.6 Ų88.674%0.74344%0.435SS*.SBendtrans-62.9-14179.5-82-176.6176.1175.20113.8R69R69-K71 PolarHBondContact O-N 3.03Å
72H37.4Very low62.1Low185 Ų18588.8 Ų88.886%0.85644%0.436SS*.SBendtrans-1459.7-171.3-85-50.9000117.4T70 T74T70-H72 PolarHBondContact O-N 3.23Å; T70-H72 VanDerWaalsContact O-N 3.09Å; H72-T74 PolarHBondContact O-N 3.28Å
73S33.6Very low61.9Low55 Ų5588.8 Ų88.839%0.38544%0.436SS..  trans-92.595.5176.4-164.30000111.2K75S73-K75 PolarHBondContact O-N 3.04Å; S73-K75 PolarHBondContact OG-N 2.97Å; S73-K75 PolarHBondContact OG-O 3.14Å
74T35.2Very low61.9Low149 Ų14988 Ų8891%0.91443%0.432SS*.  trans-65.5-9.7161.146.10000112.5H72H72-T74 PolarHBondContact O-N 3.28Å
75K35.5Very low62Low165 Ų16586.6 Ų86.672%0.71743%0.426SS*.SBendtrans-87.4119.2167.9-69.6-177.5176.9179.70107.8S73 S77S73-K75 PolarHBondContact O-N 3.04Å; S73-K75 PolarHBondContact OG-N 2.97Å; S73-K75 PolarHBondContact OG-O 3.14Å; K75-S77 PolarHBondContact O-N 3.11Å
76T38.8Very low62.3Low142 Ų14285.9 Ų85.987%0.87142%0.423SS*.  trans-5967.7157.452.20000108.8R78T76-R78 VanDerWaalsContact C-N 3.33Å; T76-R78 PolarHBondContact O-N 2.92Å
77S38.4Very low63Low81 Ų8184 Ų8457%0.56641%0.41SS*.  trans-59.7107.6160.1165.40000103.4K75 E79K75-S77 PolarHBondContact O-N 3.11Å; S77-E79 PolarHBondContact O-N 2.97Å
78R47.8Very low64.1Low227 Ų22779.5 Ų79.586%0.85740%0.4SS*.  trans-56.991.3162.3-71.2-180178.7177.7-2104.7T76 S80T76-R78 VanDerWaalsContact C-N 3.33Å; T76-R78 PolarHBondContact O-N 2.92Å; R78-S80 PolarHBondContact O-N 3.08Å; R78-S80 VanDerWaalsContact O-N 3.17Å
79E55.4Low65.7Low86 Ų8678.7 Ų78.740%0.40240%0.398SS..  trans-57.9125.2172.1-82.7-169.415500105.5S77 E81S77-E79 PolarHBondContact O-N 2.97Å; E79-E81 PolarHBondContact O-N 3.06Å
80S66.1Low67.8Low29 Ų2973.3 Ų73.320%0.20338%0.378CS..  trans-55.1127.9173.652.30000108R78 I82R78-S80 PolarHBondContact O-N 3.08Å; R78-S80 VanDerWaalsContact O-N 3.17Å; S80-I82 WeakPolarHBondContact O-CG1 3.41Å; S80-I82 PolarHBondContact O-N 3.3Å
81E86.5Confident70.4Confident35 Ų3572.5 Ų72.516%0.16437%0.368CS..  trans-67.1115177.2-65.1-73.1175.900108.5V23 R64 R67 E79 F83 S96 K97V23-E81 HydrophobicContact CG1-CB 4.27Å; V23-E81 HydrophobicContact CG1-CG 3.81Å; R64-E81 IonicContact CZ-OE1 2.79Å; R64-E81 IonicContact CZ-OE2 3.07Å; R64-E81 IonicContact NE-OE2 3.58Å; R64-E81 PolarHBondContact NE-OE2 2.89Å; R64-E81 IonicContact NH2-OE1 3.71Å; R64-E81 PolarHBondContact NH2-OE1 3.01Å; R64-E81 IonicContact NH2-OE2 2.84Å; R64-E81 PolarHBondContact NH2-OE2 3.42Å; R67-E81 IonicContact CZ-OE1 3.54Å; R67-E81 IonicContact NE-OE1 2.76Å; R67-E81 IonicContact NH2-OE1 3.69Å; R67-E81 PolarHBondContact NH2-OE1 3.28Å; E79-E81 PolarHBondContact O-N 3.06Å; E81-F83 HydrophobicContact CB-CE2 3.87Å; E81-F83 HydrophobicContact CB-CZ 4.2Å; E81-S96 WeakPolarHBondContact O-CA 3.29Å; E81-K97 HydrophobicContact CB-CB 4.22Å; E81-K97 PolarHBondContact O-N 3.28Å
82I92.9Very high73Confident14 Ų1464.3 Ų64.37%0.07233%0.332CS..EExtended strand (participates in β ladder)trans-107.1138.1-174.8-68.9161.4000109.1L65 S80 I94 I95 W117L65-I82 HydrophobicContact CB-CB 4.01Å; L65-I82 HydrophobicContact CB-CG2 4.15Å; L65-I82 WeakPolarHBondContact CB-O 3.27Å; L65-I82 HydrophobicContact CD2-CB 3.97Å; L65-I82 HydrophobicContact CD2-CD1 3.94Å; L65-I82 HydrophobicContact CD2-CG2 4.22Å; L65-I82 PolarHBondContact N-O 3.44Å; S80-I82 WeakPolarHBondContact O-CG1 3.41Å; S80-I82 PolarHBondContact O-N 3.3Å; I82-I94 HydrophobicContact CG2-CG2 3.59Å; I82-I95 CarbonylContact C-O 3.6Å; I82-I95 WeakPolarHBondContact CA-O 3.4Å; I82-W117 HydrophobicContact CG2-CZ2 4.33Å
83F95Very high75.8Confident0 Ų056.1 Ų56.10%029%0.294CS..EExtended strand (participates in β ladder)trans-129.7148.7176.2-52.4-97.8000110.2V23 I29 I62 D63 R64 E81 I94 I95 K97V23-F83 HydrophobicContact CG2-CZ 3.95Å; I29-F83 HydrophobicContact CD1-CD2 3.98Å; I29-F83 HydrophobicContact CD1-CE1 4.45Å; I29-F83 HydrophobicContact CD1-CE2 3.88Å; I29-F83 HydrophobicContact CD1-CG 4.35Å; I29-F83 HydrophobicContact CD1-CZ 4.14Å; I29-F83 HydrophobicContact CG2-CD1 3.94Å; I29-F83 HydrophobicContact CG2-CE1 3.51Å; I29-F83 HydrophobicContact CG2-CZ 3.97Å; I62-F83 HydrophobicContact CD1-CB 3.88Å; I62-F83 HydrophobicContact CD1-CD1 4.1Å; I62-F83 HydrophobicContact CD1-CG 4.07Å; I62-F83 HydrophobicContact CG1-CB 3.81Å; I62-F83 HydrophobicContact CG1-CD1 4.16Å; I62-F83 HydrophobicContact CG1-CG 4.31Å; D63-F83 CarbonylContact O-C 3.6Å; D63-F83 WeakPolarHBondContact O-CA 3.45Å; R64-F83 HydrophobicContact CB-CD1 3.66Å; R64-F83 HydrophobicContact CB-CE1 3.6Å; R64-F83 HydrophobicContact CG-CD1 4.03Å; R64-F83 HydrophobicContact CG-CE1 3.65Å; R64-F83 HydrophobicContact CG-CZ 4.24Å; E81-F83 HydrophobicContact CB-CE2 3.87Å; E81-F83 HydrophobicContact CB-CZ 4.2Å; F83-I94 WeakPolarHBondContact O-CA 3.36Å; F83-I95 HydrophobicContact CB-CD1 4.13Å; F83-I95 HydrophobicContact CB-CG1 3.74Å; F83-I95 PolarHBondContact N-O 3.08Å; F83-I95 WeakPolarHBondContact O-CG1 3.42Å; F83-I95 PolarHBondContact O-N 2.78Å; F83-K97 HydrophobicContact CE2-CB 4.43Å
84L96.7Very high78.7Confident0 Ų053.7 Ų53.70%028%0.276CS..EExtended strand (participates in β ladder)trans-98.2132.1168.1176.566000107.9I62 D63 C92 Y93 I94 A115 W117 F124I62-L84 CarbonylContact C-O 3.06Å; I62-L84 VanDerWaalsContact CA-O 3.28Å; I62-L84 WeakPolarHBondContact CA-O 3.49Å; D63-L84 PolarHBondContact N-O 3.03Å; D63-L84 PolarHBondContact O-N 2.9Å; L84-C92 HydrophobicContact CD1-CB 4.22Å; L84-Y93 CarbonylContact C-O 3.59Å; L84-Y93 WeakPolarHBondContact CA-O 3.44Å; L84-I94 HydrophobicContact CD1-CG1 4.31Å; L84-A115 HydrophobicContact CD2-CB 3.65Å; L84-A115 HydrophobicContact CG-CB 3.78Å; L84-W117 HydrophobicContact CB-CZ2 3.98Å; L84-F124 HydrophobicContact CD1-CD2 3.88Å; L84-F124 HydrophobicContact CD1-CE2 3.83Å; L84-F124 HydrophobicContact CD1-CG 4.27Å; L84-F124 HydrophobicContact CD1-CZ 4.18Å; L84-F124 HydrophobicContact CD2-CB 3.58Å; L84-F124 HydrophobicContact CD2-CD2 3.53Å; L84-F124 HydrophobicContact CD2-CE2 4.32Å; L84-F124 HydrophobicContact CD2-CG 3.66Å; L84-F124 HydrophobicContact CG-CD2 4.37Å
85L96.8Very high81.4Confident0 Ų046.7 Ų46.70%023%0.233CC..EExtended strand (participates in β ladder)trans-126.4127.3-178.6179.6152.5000109.3I31 L53 P59 C61 A87 C92 Y93 I95I31-L85 HydrophobicContact CD1-CD1 4.3Å; I31-L85 HydrophobicContact CD1-CG 4.48Å; I31-L85 HydrophobicContact CG2-CD1 4.01Å; L53-L85 HydrophobicContact CD1-CD1 4.19Å; L53-L85 HydrophobicContact CD2-CD1 4.26Å; P59-L85 HydrophobicContact CB-CD1 3.95Å; P59-L85 HydrophobicContact CB-CD2 4.02Å; P59-L85 HydrophobicContact CB-CG 4.1Å; C61-L85 WeakPolarHBondContact O-CA 3.18Å; L85-A87 HydrophobicContact CD2-CB 4.21Å; L85-C92 CarbonylContact O-C 3.56Å; L85-C92 VanDerWaalsContact O-CA 3.29Å; L85-C92 WeakPolarHBondContact O-CA 3.38Å; L85-Y93 HydrophobicContact CD2-CD2 3.73Å; L85-Y93 HydrophobicContact CD2-CG 4.31Å; L85-Y93 PolarHBondContact N-O 3.26Å; L85-Y93 PolarHBondContact O-N 3.4Å; L85-I95 HydrophobicContact CB-CD1 4.4Å; L85-I95 HydrophobicContact CD1-CD1 4.06Å
86G97.2Very high84.1Confident0 Ų038.9 Ų38.90%020%0.199CC..EExtended strand (participates in β ladder)trans-93.4150.7167.900000110.7P59 T60 C61P59-G86 WeakPolarHBondContact CA-O 3.3Å; T60-G86 PolarHBondContact N-O 3.26Å; T60-G86 PolarHBondContact OG1-O 2.87Å; T60-G86 VanDerWaalsContact OG1-O 3.13Å; C61-G86 PolarHBondContact O-N 3.3Å
87A97.7Very high86.2Confident0 Ų034.8 Ų34.80%017%0.17CC..EExtended strand (participates in β ladder)trans-141.7163.6179.800000113.3V57 F58 L85 D89 G90 K91 Y93 V112V57-A87 HydrophobicContact CG1-CB 3.68Å; F58-A87 CarbonylContact O-C 3.51Å; F58-A87 WeakPolarHBondContact O-CA 3.4Å; F58-A87 VanDerWaalsContact O-CB 3.32Å; F58-A87 WeakPolarHBondContact O-CB 3.3Å; L85-A87 HydrophobicContact CD2-CB 4.21Å; A87-D89 VanDerWaalsContact C-N 3.26Å; A87-D89 VanDerWaalsContact CB-OD1 3.28Å; A87-D89 WeakPolarHBondContact CB-OD1 3.31Å; A87-D89 PolarHBondContact O-N 3.21Å; A87-G90 PolarHBondContact O-N 2.89Å; A87-K91 PolarHBondContact N-O 3.36Å; A87-K91 VanDerWaalsContact N-O 3.16Å; A87-Y93 HydrophobicContact CB-CD2 4.26Å; A87-Y93 HydrophobicContact CB-CE2 3.84Å; A87-V112 PolarHBondContact O-N 2.89Å
88T96.6Very high88.4Confident62 Ų6237.2 Ų37.238%0.3817%0.172SC..THydrogen-bonded Turntrans-70.4-17.3-177.958.80000114.3F58 T60 G90 A111F58-T88 HydrophobicContact CB-CG2 3.97Å; F58-T88 WeakPolarHBondContact CB-OG1 3.48Å; F58-T88 PolarHBondContact O-N 3.45Å; F58-T88 PolarHBondContact O-OG1 3.05Å; T60-T88 HydrophobicContact CG2-CG2 3.69Å; T88-G90 PolarHBondContact O-N 2.85Å; T88-A111 HydrophobicContact CG2-CB 4.48Å
89D96Very high89.5Confident55 Ų5532.7 Ų32.729%0.29416%0.159SC..THydrogen-bonded Turntrans-77.64.717569.7-17.8000113.4A87 K91 Y93A87-D89 VanDerWaalsContact C-N 3.26Å; A87-D89 VanDerWaalsContact CB-OD1 3.28Å; A87-D89 WeakPolarHBondContact CB-OD1 3.31Å; A87-D89 PolarHBondContact O-N 3.21Å; D89-K91 VanDerWaalsContact C-N 3.27Å; D89-K91 PolarHBondContact O-N 2.91Å; D89-K91 WeakPolarHBondContact OD1-CB 3.24Å; D89-K91 PolarHBondContact OD1-N 3.04Å; D89-K91 VanDerWaalsContact OD1-N 3.11Å; D89-K91 WeakPolarHBondContact OD2-CD 3.37Å; D89-Y93 PolarHBondContact OD2-OH 3.48Å
90G96.1Very high90.8Very high1 Ų136.9 Ų36.91%0.0117%0.171CC..SBendtrans789.7-179.100000114.3A87 T88 A107 H108 G110 V112A87-G90 PolarHBondContact O-N 2.89Å; T88-G90 PolarHBondContact O-N 2.85Å; G90-A107 WeakPolarHBondContact O-CA 3.46Å; G90-A107 PolarHBondContact O-N 2.87Å; G90-H108 PolarHBondContact O-N 3.15Å; G90-G110 WeakPolarHBondContact CA-O 3.46Å; G90-G110 PolarHBondContact N-O 3.1Å; G90-V112 VanDerWaalsContact C-CG2 3.48Å
91K97.1Very high91.9Very high65 Ų6538.3 Ų38.328%0.28318%0.175SC..EExtended strand (participates in β ladder)trans-100.7151.5178.8-53.5-166.6-170.8-141.70111.7A87 D89 Y93 T104 S105 D106 V112A87-K91 PolarHBondContact N-O 3.36Å; A87-K91 VanDerWaalsContact N-O 3.16Å; D89-K91 VanDerWaalsContact C-N 3.27Å; D89-K91 PolarHBondContact O-N 2.91Å; D89-K91 WeakPolarHBondContact OD1-CB 3.24Å; D89-K91 PolarHBondContact OD1-N 3.04Å; D89-K91 VanDerWaalsContact OD1-N 3.11Å; D89-K91 WeakPolarHBondContact OD2-CD 3.37Å; K91-Y93 HydrophobicContact CB-CD2 4.36Å; K91-Y93 HydrophobicContact CB-CE2 3.6Å; K91-T104 HydrophobicContact CB-CG2 4.14Å; K91-T104 HydrophobicContact CD-CG2 3.67Å; K91-T104 HydrophobicContact CG-CG2 4.47Å; K91-S105 VanDerWaalsContact CA-O 3.3Å; K91-S105 WeakPolarHBondContact CA-O 3.42Å; K91-D106 VanDerWaalsContact CD-OD1 3.25Å; K91-D106 WeakPolarHBondContact CD-OD1 3.43Å; K91-D106 WeakPolarHBondContact CE-OD1 3.42Å; K91-D106 IonicContact NZ-OD1 2.78Å; K91-D106 PolarHBondContact NZ-OD1 3.41Å; K91-V112 WeakPolarHBondContact O-CG2 3.35Å
92C96Very high92Very high0 Ų040 Ų400%018%0.183CC..EExtended strand (participates in β ladder)trans-109.3141.4163.570.10000109.9L84 L85 T104 S105 A107 T126L84-C92 HydrophobicContact CD1-CB 4.22Å; L85-C92 CarbonylContact O-C 3.56Å; L85-C92 VanDerWaalsContact O-CA 3.29Å; L85-C92 WeakPolarHBondContact O-CA 3.38Å; C92-T104 CarbonylContact O-C 3.58Å; C92-T104 WeakPolarHBondContact O-CA 3.45Å; C92-S105 PolarHBondContact N-O 3.36Å; C92-S105 PolarHBondContact O-N 2.93Å; C92-S105 VanDerWaalsContact SG-CB 3.56Å; C92-A107 HydrophobicContact CB-CB 4.24Å; C92-T126 HydrophobicContact CB-CG2 4.18Å
93Y95.5Very high91.9Very high12 Ų1244.9 Ų44.95%0.04720%0.201CC..EExtended strand (participates in β ladder)trans-120.3129.8-175.8-62.4-92.9000108.8V57 L84 L85 A87 D89 K91 I101 R103 T104V57-Y93 HydrophobicContact CG1-CD2 4.34Å; V57-Y93 HydrophobicContact CG1-CE2 3.62Å; V57-Y93 HydrophobicContact CG2-CE2 4.46Å; V57-Y93 VanDerWaalsContact CG2-OH 3.25Å; V57-Y93 WeakPolarHBondContact CG2-OH 3.29Å; L84-Y93 CarbonylContact C-O 3.59Å; L84-Y93 WeakPolarHBondContact CA-O 3.44Å; L85-Y93 HydrophobicContact CD2-CD2 3.73Å; L85-Y93 HydrophobicContact CD2-CG 4.31Å; L85-Y93 PolarHBondContact N-O 3.26Å; L85-Y93 PolarHBondContact O-N 3.4Å; A87-Y93 HydrophobicContact CB-CD2 4.26Å; A87-Y93 HydrophobicContact CB-CE2 3.84Å; D89-Y93 PolarHBondContact OD2-OH 3.48Å; K91-Y93 HydrophobicContact CB-CD2 4.36Å; K91-Y93 HydrophobicContact CB-CE2 3.6Å; Y93-I101 HydrophobicContact CD1-CD1 4Å; Y93-I101 HydrophobicContact CD1-CG1 4.34Å; Y93-I101 HydrophobicContact CD1-CG2 3.89Å; Y93-I101 HydrophobicContact CE1-CD1 4.26Å; Y93-R103 CarbonylContact C-O 3.46Å; Y93-R103 WeakPolarHBondContact CA-O 3.29Å; Y93-T104 HydrophobicContact CD1-CG2 3.9Å; Y93-T104 VanDerWaalsContact CD1-OG1 3.25Å; Y93-T104 WeakPolarHBondContact CD1-OG1 3.25Å; Y93-T104 HydrophobicContact CE1-CG2 3.51Å; Y93-T104 WeakPolarHBondContact CE1-OG1 3.49Å
94I95Very high91.9Very high5 Ų548.1 Ų48.13%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-94.8113.8165.3-60.4175.5000105.7I82 F83 L84 E102 R103 W117 F124 R138I82-I94 HydrophobicContact CG2-CG2 3.59Å; F83-I94 WeakPolarHBondContact O-CA 3.36Å; L84-I94 HydrophobicContact CD1-CG1 4.31Å; I94-E102 PolarHBondContact O-N 2.85Å; I94-R103 HydrophobicContact CB-CB 4.15Å; I94-R103 HydrophobicContact CD1-CB 4.4Å; I94-R103 PolarHBondContact N-O 3.33Å; I94-R103 PolarHBondContact O-N 3.11Å; I94-R103 VanDerWaalsContact O-N 3.11Å; I94-W117 HydrophobicContact CD1-CH2 4.08Å; I94-W117 HydrophobicContact CD1-CZ2 4.48Å; I94-W117 HydrophobicContact CG1-CH2 4.48Å; I94-W117 HydrophobicContact CG1-CZ2 4.4Å; I94-F124 HydrophobicContact CD1-CE1 4.02Å; I94-R138 VanDerWaalsContact CD1-O 3.23Å; I94-R138 WeakPolarHBondContact CD1-O 3.19Å
95I93.3Very high91.8Very high1 Ų148.7 Ų48.71%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-111.7150.6-177.663.3169.9000110V37 F51 I62 I82 F83 L85 R100 I101V37-I95 HydrophobicContact CG1-CD1 4.49Å; F51-I95 HydrophobicContact CZ-CB 4.18Å; F51-I95 HydrophobicContact CZ-CD1 4.14Å; F51-I95 HydrophobicContact CZ-CG2 4.33Å; I62-I95 HydrophobicContact CD1-CD1 4.12Å; I82-I95 CarbonylContact C-O 3.6Å; I82-I95 WeakPolarHBondContact CA-O 3.4Å; F83-I95 HydrophobicContact CB-CD1 4.13Å; F83-I95 HydrophobicContact CB-CG1 3.74Å; F83-I95 PolarHBondContact N-O 3.08Å; F83-I95 WeakPolarHBondContact O-CG1 3.42Å; F83-I95 PolarHBondContact O-N 2.78Å; L85-I95 HydrophobicContact CB-CD1 4.4Å; L85-I95 HydrophobicContact CD1-CD1 4.06Å; I95-R100 CarbonylContact C-O 3.57Å; I95-R100 WeakPolarHBondContact CA-O 3.2Å; I95-R100 WeakPolarHBondContact CB-O 3.36Å; I95-I101 HydrophobicContact CG2-CG1 3.99Å
96S90.6Very high91.7Very high1 Ų154.3 Ų54.31%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-116.1142.9169.4168.80000108.8E81 E98 K99 R100E81-S96 WeakPolarHBondContact O-CA 3.29Å; S96-E98 PolarHBondContact O-N 2.9Å; S96-E98 PolarHBondContact OG-N 3.41Å; S96-K99 CarbonylContact O-C 3.54Å; S96-K99 PolarHBondContact O-N 3.47Å; S96-K99 PolarHBondContact OG-N 3.02Å; S96-R100 PolarHBondContact N-O 3.14Å; S96-R100 PolarHBondContact O-N 3.5Å
97K84.3Confident91.7Very high57 Ų5754.3 Ų54.325%0.24825%0.254CS..SBendtrans-54.9-36171.9-170.5-176.4-179.2-169.80111.9V23 E27 L50 E81 F83V23-K97 HydrophobicContact CG1-CD 4.18Å; E27-K97 WeakPolarHBondContact OE1-CE 3.48Å; E27-K97 IonicContact OE1-NZ 3.93Å; E27-K97 PolarHBondContact OE1-NZ 3.24Å; E27-K97 IonicContact OE2-NZ 3.23Å; E27-K97 PolarHBondContact OE2-NZ 3.28Å; L50-K97 HydrophobicContact CD1-CG 3.93Å; L50-K97 HydrophobicContact CD2-CG 4.12Å; E81-K97 HydrophobicContact CB-CB 4.22Å; E81-K97 PolarHBondContact O-N 3.28Å; F83-K97 HydrophobicContact CE2-CB 4.43Å
98E83.1Confident91.7Very high132 Ų13255.1 Ų55.162%0.61726%0.258SS*.SBendtrans-91.2-40.8-179.2-61174169.900112S96S96-E98 PolarHBondContact O-N 2.9Å; S96-E98 PolarHBondContact OG-N 3.41Å
99K72.6Confident91.6Very high132 Ų13260.3 Ų60.357%0.57428%0.278SS*.SBendtrans-114.770.7-174-60.2175.2-175.3167.10110.8S96 I101 E102S96-K99 CarbonylContact O-C 3.54Å; S96-K99 PolarHBondContact O-N 3.47Å; S96-K99 PolarHBondContact OG-N 3.02Å; K99-I101 PolarHBondContact O-N 3.2Å; K99-E102 HydrophobicContact CB-CG 4.25Å
100R82.6Confident91.6Very high173 Ų17359.3 Ų59.365%0.65328%0.281SS*.SBendtrans12.7-110.8173.3-62.6-171.9178.5175.9-1.2115F51 I95 S96F51-R100 HydrophobicContact CB-CG 3.96Å; F51-R100 HydrophobicContact CD1-CB 4.4Å; F51-R100 HydrophobicContact CD1-CG 4Å; F51-R100 HydrophobicContact CD2-CB 4.35Å; F51-R100 HydrophobicContact CD2-CG 4.29Å; F51-R100 HydrophobicContact CE2-CB 4.49Å; F51-R100 HydrophobicContact CG-CB 4.3Å; F51-R100 HydrophobicContact CG-CG 3.83Å; I95-R100 CarbonylContact C-O 3.57Å; I95-R100 WeakPolarHBondContact CA-O 3.2Å; I95-R100 WeakPolarHBondContact CB-O 3.36Å; S96-R100 PolarHBondContact N-O 3.14Å; S96-R100 PolarHBondContact O-N 3.5Å
101I87.8Confident91.7Very high59 Ų5959.5 Ų59.530%0.30328%0.282SS..EExtended strand (participates in β ladder)trans-99.4114.4175.3-62.3167.9000107.6P54 Y93 I95 K99P54-I101 HydrophobicContact CG-CD1 4.17Å; Y93-I101 HydrophobicContact CD1-CD1 4Å; Y93-I101 HydrophobicContact CD1-CG1 4.34Å; Y93-I101 HydrophobicContact CD1-CG2 3.89Å; Y93-I101 HydrophobicContact CE1-CD1 4.26Å; I95-I101 HydrophobicContact CG2-CG1 3.99Å; K99-I101 PolarHBondContact O-N 3.2Å
102E89.4Confident91.7Very high70 Ų7056.4 Ų56.433%0.32727%0.269SS..EExtended strand (participates in β ladder)trans-84.3-39.6174.6-62.5-160.4150.900111.4I94 K99I94-E102 PolarHBondContact O-N 2.85Å; K99-E102 HydrophobicContact CB-CG 4.25Å
103R91.3Very high91.8Very high118 Ų11858 Ų5845%0.44528%0.277SS..EExtended strand (participates in β ladder)trans-148155.3-178.2-51.9-175-167.9-148.3-0.4111.9Y93 I94 S139Y93-R103 CarbonylContact C-O 3.46Å; Y93-R103 WeakPolarHBondContact CA-O 3.29Å; I94-R103 HydrophobicContact CB-CB 4.15Å; I94-R103 HydrophobicContact CD1-CB 4.4Å; I94-R103 PolarHBondContact N-O 3.33Å; I94-R103 PolarHBondContact O-N 3.11Å; I94-R103 VanDerWaalsContact O-N 3.11Å; R103-S139 WeakPolarHBondContact CD-O 3.36Å; R103-S139 PolarHBondContact NH1-O 3.43Å
104T94.2Very high92Very high68 Ų6857.8 Ų57.842%0.41728%0.277SS..EExtended strand (participates in β ladder)trans-134.8137.1175-57.90000108.7K91 C92 Y93K91-T104 HydrophobicContact CB-CG2 4.14Å; K91-T104 HydrophobicContact CD-CG2 3.67Å; K91-T104 HydrophobicContact CG-CG2 4.47Å; C92-T104 CarbonylContact O-C 3.58Å; C92-T104 WeakPolarHBondContact O-CA 3.45Å; Y93-T104 HydrophobicContact CD1-CG2 3.9Å; Y93-T104 VanDerWaalsContact CD1-OG1 3.25Å; Y93-T104 WeakPolarHBondContact CD1-OG1 3.25Å; Y93-T104 HydrophobicContact CE1-CG2 3.51Å; Y93-T104 WeakPolarHBondContact CE1-OG1 3.49Å
105S94.7Very high92.1Very high11 Ų1157.6 Ų57.68%0.07728%0.276CS..EExtended strand (participates in β ladder)trans-129.2131.9174.1-30.90000109.3K91 C92 A107 G140K91-S105 VanDerWaalsContact CA-O 3.3Å; K91-S105 WeakPolarHBondContact CA-O 3.42Å; C92-S105 PolarHBondContact N-O 3.36Å; C92-S105 PolarHBondContact O-N 2.93Å; C92-S105 VanDerWaalsContact SG-CB 3.56Å; S105-A107 PolarHBondContact O-N 3.05Å; S105-A107 VanDerWaalsContact O-N 3.07Å; S105-G140 PolarHBondContact OG-O 2.87Å
106D95.4Very high92.3Very high118 Ų11859.4 Ų59.463%0.63128%0.284SS*.EExtended strand (participates in β ladder)trans-74.796173.2-60.4-47000108.3K91K91-D106 VanDerWaalsContact CD-OD1 3.25Å; K91-D106 WeakPolarHBondContact CD-OD1 3.43Å; K91-D106 WeakPolarHBondContact CE-OD1 3.42Å; K91-D106 IonicContact NZ-OD1 2.78Å; K91-D106 PolarHBondContact NZ-OD1 3.41Å
107A96.1Very high92.5Very high0 Ų059.7 Ų59.70%029%0.285CS..  trans-90-45-164.100000112.9G90 C92 S105 V112 K134 W136G90-A107 WeakPolarHBondContact O-CA 3.46Å; G90-A107 PolarHBondContact O-N 2.87Å; C92-A107 HydrophobicContact CB-CB 4.24Å; S105-A107 PolarHBondContact O-N 3.05Å; S105-A107 VanDerWaalsContact O-N 3.07Å; A107-V112 HydrophobicContact CB-CG2 4.1Å; A107-K134 VanDerWaalsContact O-CD 3.28Å; A107-K134 WeakPolarHBondContact O-CD 2.9Å; A107-K134 WeakPolarHBondContact O-CE 3.39Å; A107-K134 PolarHBondContact O-NZ 3.43Å; A107-W136 HydrophobicContact CB-CH2 4.28Å; A107-W136 HydrophobicContact CB-CZ2 3.72Å
108H97.9Very high92.9Very high17 Ų1757.4 Ų57.48%0.07928%0.275CS..  trans-140.3159.5-169.8-71.6-81.2000112.5G90 V112 T126 D130 Q132G90-H108 PolarHBondContact O-N 3.15Å; H108-V112 HydrophobicContact CB-CG2 4.44Å; H108-T126 WeakPolarHBondContact NE2-CB 3.22Å; H108-T126 PolarHBondContact NE2-O 3.37Å; H108-T126 PolarHBondContact NE2-OG1 3.45Å; H108-D130 VanDerWaalsContact CA-OD2 3.28Å; H108-D130 WeakPolarHBondContact CA-OD2 3.29Å; H108-D130 WeakPolarHBondContact CB-OD2 3.22Å; H108-D130 IonicContact CE1-OD1 2.98Å; H108-D130 IonicContact CG-OD1 2.73Å; H108-D130 IonicContact CG-OD2 2.93Å; H108-D130 VanDerWaalsContact ND1-CG 3.31Å; H108-D130 IonicContact ND1-OD1 3.54Å; H108-D130 PolarHBondContact ND1-OD1 3.01Å; H108-D130 IonicContact ND1-OD2 3.49Å; H108-D130 PolarHBondContact ND1-OD2 3.35Å; H108-D130 VanDerWaalsContact ND1-OD2 3.07Å; H108-Q132 PolarHBondContact CE1-O 3.32Å
109Q95.6Very high93Very high172 Ų17254.8 Ų54.880%0.80426%0.262SS*.SBendtrans-90.899.8167.3-68.5-175-8.200109.3D130Q109-D130 HydrophobicContact CB-CB 4.21Å; Q109-D130 PolarHBondContact N-OD2 3.35Å; Q109-D130 WeakPolarHBondContact O-CB 3.29Å
110G95.3Very high93.5Very high33 Ų3353.1 Ų53.134%0.3426%0.26SS..SBendtrans102.1-177.6-166.800000111G90G90-G110 WeakPolarHBondContact CA-O 3.46Å; G90-G110 PolarHBondContact N-O 3.1Å
111A97.3Very high93.8Very high5 Ų544.9 Ų44.94%0.04123%0.229CC..  trans-62.4141-170.500000112.8T88 L113 G128 E129T88-A111 HydrophobicContact CG2-CB 4.48Å; A111-L113 HydrophobicContact CB-CD2 4.08Å; A111-L113 PolarHBondContact O-N 2.82Å; A111-G128 CarbonylContact O-C 3.57Å; A111-G128 WeakPolarHBondContact O-CA 3.45Å; A111-E129 HydrophobicContact CB-CG 3.98Å; A111-E129 PolarHBondContact N-OE2 3.49Å; A111-E129 PolarHBondContact O-N 2.97Å
112V98.4Very high94Very high0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-76.7116.1162.6-174.40000106.9T60 A87 G90 K91 A107 H108 A115 S127T60-V112 VanDerWaalsContact CB-O 3.31Å; T60-V112 WeakPolarHBondContact CB-O 3.47Å; T60-V112 WeakPolarHBondContact CG2-O 3.44Å; T60-V112 PolarHBondContact OG1-O 3.4Å; A87-V112 PolarHBondContact O-N 2.89Å; G90-V112 VanDerWaalsContact C-CG2 3.48Å; K91-V112 WeakPolarHBondContact O-CG2 3.35Å; A107-V112 HydrophobicContact CB-CG2 4.1Å; H108-V112 HydrophobicContact CB-CG2 4.44Å; V112-A115 HydrophobicContact CG1-CB 4.46Å; V112-S127 CarbonylContact C-O 3.57Å; V112-S127 WeakPolarHBondContact CA-O 3.38Å
113L98Very high94.2Very high35 Ų3541.9 Ų41.918%0.18322%0.218CC..EExtended strand (participates in β ladder)trans-93-31.2-175.5-61.5177.2000112A111 S127 E129 P152 Y154A111-L113 HydrophobicContact CB-CD2 4.08Å; A111-L113 PolarHBondContact O-N 2.82Å; L113-S127 PolarHBondContact N-O 2.82Å; L113-E129 HydrophobicContact CD1-CG 4.01Å; L113-E129 HydrophobicContact CD2-CG 4.12Å; L113-E129 HydrophobicContact CG-CG 4.17Å; L113-P152 HydrophobicContact CD1-CB 4.01Å; L113-Y154 HydrophobicContact CD1-CD1 4.01Å; L113-Y154 HydrophobicContact CD1-CE1 4.29Å; L113-Y154 HydrophobicContact CD1-CG 4.34Å
114S98.3Very high94.5Very high7 Ų736.2 Ų36.25%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-144.4142.3177.5-154.30000111.2T126 S127S114-T126 CarbonylContact O-C 3.55Å; S114-T126 VanDerWaalsContact O-CA 3.3Å; S114-T126 WeakPolarHBondContact O-CA 3.49Å; S114-S127 VanDerWaalsContact CB-OG 3.27Å; S114-S127 WeakPolarHBondContact CB-OG 3.31Å; S114-S127 PolarHBondContact N-O 2.79Å; S114-S127 PolarHBondContact O-N 3.32Å
115A98.2Very high94.6Very high0 Ų033 Ų330%018%0.177CC..EExtended strand (participates in β ladder)trans-143.5126.4175.900000108.8C61 D63 L84 V112 A125 T126C61-A115 PolarHBondContact SG-N 2.63Å; C61-A115 VanDerWaalsContact SG-N 3.37Å; D63-A115 WeakPolarHBondContact CB-O 3.42Å; L84-A115 HydrophobicContact CD2-CB 3.65Å; L84-A115 HydrophobicContact CG-CB 3.78Å; V112-A115 HydrophobicContact CG1-CB 4.46Å; A115-A125 CarbonylContact C-O 3.5Å; A115-A125 VanDerWaalsContact CA-O 3.31Å; A115-A125 WeakPolarHBondContact CA-O 3.5Å; A115-T126 HydrophobicContact CB-CG2 4.14Å
116K97Very high94.8Very high39 Ų3932.5 Ų32.517%0.1717%0.173CC..EExtended strand (participates in β ladder)trans-140129.2-173.1-66-62.1175-153.80113.1D63 F124 A125 I156 W158D63-K116 HydrophobicContact CB-CD 4.19Å; D63-K116 VanDerWaalsContact CG-CD 3.46Å; D63-K116 VanDerWaalsContact OD1-CD 3.3Å; D63-K116 WeakPolarHBondContact OD1-CD 3.41Å; D63-K116 IonicContact OD1-NZ 3.74Å; D63-K116 PolarHBondContact OD1-NZ 2.86Å; D63-K116 WeakPolarHBondContact OD2-CA 3.47Å; K116-F124 CarbonylContact O-C 3.59Å; K116-F124 VanDerWaalsContact O-CA 3.23Å; K116-F124 WeakPolarHBondContact O-CA 3.46Å; K116-F124 WeakPolarHBondContact O-CB 3.34Å; K116-A125 PolarHBondContact N-O 3.08Å; K116-A125 PolarHBondContact O-N 3.15Å; K116-I156 HydrophobicContact CB-CG1 4.37Å; K116-I156 HydrophobicContact CG-CG1 3.97Å; K116-W158 PolarHBondContact O-NE1 3.27Å; K116-W158 VanDerWaalsContact O-NE1 3.07Å
117W95.6Very high95Very high7 Ų726.9 Ų26.93%0.02714%0.143CC..EExtended strand (participates in β ladder)trans-67.2146.2170-72104.2000111.2D63 R64 L65 P66 I82 L84 I94 F124 R138 W158D63-W117 VanDerWaalsContact O-CD1 3.3Å; D63-W117 PolarHBondContact O-NE1 2.63Å; D63-W117 PolarHBondContact OD2-N 3.24Å; R64-W117 VanDerWaalsContact C-CD1 3.42Å; R64-W117 VanDerWaalsContact O-CD1 3.3Å; L65-W117 HydrophobicContact CB-CD2 4.49Å; L65-W117 HydrophobicContact CD1-CD2 3.54Å; L65-W117 HydrophobicContact CD1-CE3 3.5Å; L65-W117 HydrophobicContact CD1-CG 4.14Å; L65-W117 HydrophobicContact CD1-CH2 4.12Å; L65-W117 HydrophobicContact CD1-CZ2 4.12Å; L65-W117 HydrophobicContact CD1-CZ3 3.8Å; P66-W117 HydrophobicContact CG-CB 4.4Å; I82-W117 HydrophobicContact CG2-CZ2 4.33Å; L84-W117 HydrophobicContact CB-CZ2 3.98Å; I94-W117 HydrophobicContact CD1-CH2 4.08Å; I94-W117 HydrophobicContact CD1-CZ2 4.48Å; I94-W117 HydrophobicContact CG1-CH2 4.48Å; I94-W117 HydrophobicContact CG1-CZ2 4.4Å; W117-F124 HydrophobicContact CD2-CB 4.14Å; W117-F124 HydrophobicContact CE3-CB 3.83Å; W117-F124 HydrophobicContact CE3-CD1 4.11Å; W117-F124 HydrophobicContact CE3-CG 4.43Å; W117-F124 AromaticContact CH2-CD1 3.73Å; W117-F124 HydrophobicContact CH2-CD1 3.73Å; W117-F124 HydrophobicContact CH2-CE1 4.25Å; W117-F124 HydrophobicContact CZ2-CD1 4.46Å; W117-F124 HydrophobicContact CZ3-CB 4.17Å; W117-F124 AromaticContact CZ3-CD1 3.56Å; W117-F124 HydrophobicContact CZ3-CD1 3.56Å; W117-F124 HydrophobicContact CZ3-CE1 4.42Å; W117-F124 HydrophobicContact CZ3-CG 4.3Å; W117-R138 HydrophobicContact CH2-CB 4.43Å; W117-R138 HydrophobicContact CH2-CG 4.05Å; W117-R138 HydrophobicContact CZ3-CB 3.99Å; W117-R138 HydrophobicContact CZ3-CG 3.97Å; W117-W158 VanDerWaalsContact C-NE1 3.34Å; W117-W158 PolarHBondContact O-NE1 3.38Å
118D92.4Very high95Very high9 Ų926.9 Ų26.95%0.04814%0.143CC..  trans-68.5163.3163.971.8-10.6000110.4D120 G121 T122 S123 W158D118-D120 PolarHBondContact O-N 3.35Å; D118-G121 PolarHBondContact O-N 3.08Å; D118-G121 VanDerWaalsContact O-N 3.08Å; D118-G121 VanDerWaalsContact OD1-C 3.27Å; D118-G121 WeakPolarHBondContact OD1-CA 3.46Å; D118-G121 PolarHBondContact OD1-N 3.04Å; D118-T122 PolarHBondContact OD1-N 2.85Å; D118-T122 PolarHBondContact OD2-OG1 3.18Å; D118-S123 VanDerWaalsContact CG-N 3.27Å; D118-S123 PolarHBondContact N-O 3.34Å; D118-S123 PolarHBondContact OD1-N 3.23Å; D118-S123 VanDerWaalsContact OD2-CB 3.27Å; D118-S123 WeakPolarHBondContact OD2-CB 3.4Å; D118-S123 PolarHBondContact OD2-N 3.14Å; D118-S123 PolarHBondContact OD2-OG 2.96Å; D118-W158 HydrophobicContact CB-CD2 4.45Å; D118-W158 HydrophobicContact CB-CH2 4.47Å; D118-W158 HydrophobicContact CB-CZ2 4.1Å
119F85.8Confident95Very high77 Ų7731 Ų3134%0.33816%0.162SC..THydrogen-bonded Turntrans-66.4-26.6-174.2-65-64.7000113.1W158 G159 S162 V201F119-W158 HydrophobicContact CD2-CB 4.37Å; F119-W158 HydrophobicContact CE2-CB 3.61Å; F119-W158 HydrophobicContact CZ-CB 3.91Å; F119-G159 WeakPolarHBondContact CE2-O 3.46Å; F119-S162 VanDerWaalsContact CD2-OG 3.22Å; F119-S162 WeakPolarHBondContact CD2-OG 3.31Å; F119-S162 PolarHBondContact N-OG 3.38Å; F119-S162 VanDerWaalsContact N-OG 3.15Å; F119-V201 HydrophobicContact CD2-CG1 4.41Å; F119-V201 HydrophobicContact CE1-CG1 4.24Å; F119-V201 HydrophobicContact CE2-CG1 3.48Å; F119-V201 VanDerWaalsContact CE2-CG1 3.48Å; F119-V201 HydrophobicContact CZ-CG1 3.37Å; F119-V201 HydrophobicContact CZ-CG2 4.49Å
120D83Confident95.1Very high98 Ų9824 Ų2452%0.52413%0.131SC..THydrogen-bonded Turntrans-85.2-7.1177.4-68.6-34.9000113.3Q68 D118 T122Q68-D120 PolarHBondContact NE2-O 3.41Å; D118-D120 PolarHBondContact O-N 3.35Å; D120-T122 HydrophobicContact CB-CG2 3.83Å; D120-T122 PolarHBondContact O-N 2.91Å
121G88.7Confident95.1Very high0 Ų022.4 Ų22.40%012%0.115CC..SBendtrans63.224.3-174.600000114.1D118 R138D118-G121 PolarHBondContact O-N 3.08Å; D118-G121 VanDerWaalsContact O-N 3.08Å; D118-G121 VanDerWaalsContact OD1-C 3.27Å; D118-G121 WeakPolarHBondContact OD1-CA 3.46Å; D118-G121 PolarHBondContact OD1-N 3.04Å; G121-R138 WeakPolarHBondContact O-CD 3.27Å
122T91Very high95.2Very high57 Ų5724 Ų2435%0.3512%0.121SC..SBendtrans-95.1-22.8179.774.70000113.2D118 D120 R138D118-T122 PolarHBondContact OD1-N 2.85Å; D118-T122 PolarHBondContact OD2-OG1 3.18Å; D120-T122 HydrophobicContact CB-CG2 3.83Å; D120-T122 PolarHBondContact O-N 2.91Å; T122-R138 WeakPolarHBondContact O-CB 3.49Å; T122-R138 PolarHBondContact O-N 3.4Å
123S94.5Very high95.2Very high8 Ų824 Ų246%0.05612%0.121CC..EExtended strand (participates in β ladder)trans-145.9163.9-172.7-44.70000109.7D118 W136 R143D118-S123 VanDerWaalsContact CG-N 3.27Å; D118-S123 PolarHBondContact N-O 3.34Å; D118-S123 PolarHBondContact OD1-N 3.23Å; D118-S123 VanDerWaalsContact OD2-CB 3.27Å; D118-S123 WeakPolarHBondContact OD2-CB 3.4Å; D118-S123 PolarHBondContact OD2-N 3.14Å; D118-S123 PolarHBondContact OD2-OG 2.96Å; S123-W136 CarbonylContact C-O 3.59Å; S123-W136 WeakPolarHBondContact CA-O 3.15Å; S123-W136 WeakPolarHBondContact CB-O 3.25Å; S123-R143 PolarHBondContact OG-NH1 2.76Å
124F96.6Very high95.2Very high0 Ų023.6 Ų23.60%012%0.118CC..EExtended strand (participates in β ladder)trans-144.2155.8170.761.7-91000110.6L84 I94 K116 W117 T126 W136 S137L84-F124 HydrophobicContact CD1-CD2 3.88Å; L84-F124 HydrophobicContact CD1-CE2 3.83Å; L84-F124 HydrophobicContact CD1-CG 4.27Å; L84-F124 HydrophobicContact CD1-CZ 4.18Å; L84-F124 HydrophobicContact CD2-CB 3.58Å; L84-F124 HydrophobicContact CD2-CD2 3.53Å; L84-F124 HydrophobicContact CD2-CE2 4.32Å; L84-F124 HydrophobicContact CD2-CG 3.66Å; L84-F124 HydrophobicContact CG-CD2 4.37Å; I94-F124 HydrophobicContact CD1-CE1 4.02Å; K116-F124 CarbonylContact O-C 3.59Å; K116-F124 VanDerWaalsContact O-CA 3.23Å; K116-F124 WeakPolarHBondContact O-CA 3.46Å; K116-F124 WeakPolarHBondContact O-CB 3.34Å; W117-F124 HydrophobicContact CD2-CB 4.14Å; W117-F124 HydrophobicContact CE3-CB 3.83Å; W117-F124 HydrophobicContact CE3-CD1 4.11Å; W117-F124 HydrophobicContact CE3-CG 4.43Å; W117-F124 AromaticContact CH2-CD1 3.73Å; W117-F124 HydrophobicContact CH2-CD1 3.73Å; W117-F124 HydrophobicContact CH2-CE1 4.25Å; W117-F124 HydrophobicContact CZ2-CD1 4.46Å; W117-F124 HydrophobicContact CZ3-CB 4.17Å; W117-F124 AromaticContact CZ3-CD1 3.56Å; W117-F124 HydrophobicContact CZ3-CD1 3.56Å; W117-F124 HydrophobicContact CZ3-CE1 4.42Å; W117-F124 HydrophobicContact CZ3-CG 4.3Å; F124-T126 HydrophobicContact CD2-CG2 3.91Å; F124-T126 HydrophobicContact CE2-CG2 3.88Å; F124-W136 HydrophobicContact CD1-CB 3.95Å; F124-W136 HydrophobicContact CD2-CB 3.82Å; F124-W136 AromaticContact CD2-CD1 3.62Å; F124-W136 AromaticContact CD2-CG 3.92Å; F124-W136 HydrophobicContact CD2-CG 3.92Å; F124-W136 HydrophobicContact CE1-CB 3.58Å; F124-W136 HydrophobicContact CE1-CG 4.39Å; F124-W136 HydrophobicContact CE2-CB 3.42Å; F124-W136 VanDerWaalsContact CE2-CB 3.42Å; F124-W136 AromaticContact CE2-CD1 3.35Å; F124-W136 HydrophobicContact CE2-CD2 4.14Å; F124-W136 AromaticContact CE2-CG 3.35Å; F124-W136 HydrophobicContact CE2-CG 3.35Å; F124-W136 HydrophobicContact CG-CB 4.07Å; F124-W136 HydrophobicContact CZ-CB 3.3Å; F124-W136 HydrophobicContact CZ-CD2 4.31Å; F124-W136 AromaticContact CZ-CG 3.63Å; F124-W136 HydrophobicContact CZ-CG 3.63Å; F124-W136 PolarHBondContact N-O 3.38Å; F124-W136 PolarHBondContact O-N 2.93Å; F124-S137 WeakPolarHBondContact CE1-O 3.37Å
125A97.8Very high95.1Very high0 Ų023.5 Ų23.50%012%0.117CC..EExtended strand (participates in β ladder)trans-108.2147.6174.600000110.1A115 K116 K134 I135 I156 W158 M165A115-A125 CarbonylContact C-O 3.5Å; A115-A125 VanDerWaalsContact CA-O 3.31Å; A115-A125 WeakPolarHBondContact CA-O 3.5Å; K116-A125 PolarHBondContact N-O 3.08Å; K116-A125 PolarHBondContact O-N 3.15Å; A125-K134 CarbonylContact C-O 3.48Å; A125-K134 VanDerWaalsContact CA-O 3.24Å; A125-K134 WeakPolarHBondContact CA-O 3.43Å; A125-I135 HydrophobicContact CB-CD1 3.64Å; A125-I156 HydrophobicContact CB-CD1 3.59Å; A125-W158 HydrophobicContact CB-CH2 4.22Å; A125-W158 HydrophobicContact CB-CZ2 3.52Å; A125-M165 HydrophobicContact CB-CE 3.72Å; A125-M165 HydrophobicContact CB-SD 4.4Å
126T98.5Very high95.1Very high0 Ų024 Ų240%012%0.119CC..EExtended strand (participates in β ladder)trans-129.1146.6170.762.50000110.2C92 H108 S114 A115 F124 I133 K134 W136C92-T126 HydrophobicContact CB-CG2 4.18Å; H108-T126 WeakPolarHBondContact NE2-CB 3.22Å; H108-T126 PolarHBondContact NE2-O 3.37Å; H108-T126 PolarHBondContact NE2-OG1 3.45Å; S114-T126 CarbonylContact O-C 3.55Å; S114-T126 VanDerWaalsContact O-CA 3.3Å; S114-T126 WeakPolarHBondContact O-CA 3.49Å; A115-T126 HydrophobicContact CB-CG2 4.14Å; F124-T126 HydrophobicContact CD2-CG2 3.91Å; F124-T126 HydrophobicContact CE2-CG2 3.88Å; T126-I133 CarbonylContact O-C 3.57Å; T126-I133 VanDerWaalsContact O-CA 3.28Å; T126-I133 WeakPolarHBondContact O-CA 3.46Å; T126-K134 PolarHBondContact N-O 3.41Å; T126-K134 PolarHBondContact O-N 3.41Å; T126-W136 PolarHBondContact OG1-NE1 3.21Å
127S98.3Very high95Very high0 Ų022.6 Ų22.60%011%0.114CC..EExtended strand (participates in β ladder)trans-129.2154.4168.771.40000111.2V112 L113 S114 Q132 I153V112-S127 CarbonylContact C-O 3.57Å; V112-S127 WeakPolarHBondContact CA-O 3.38Å; L113-S127 PolarHBondContact N-O 2.82Å; S114-S127 VanDerWaalsContact CB-OG 3.27Å; S114-S127 WeakPolarHBondContact CB-OG 3.31Å; S114-S127 PolarHBondContact N-O 2.79Å; S114-S127 PolarHBondContact O-N 3.32Å; S127-Q132 WeakPolarHBondContact CA-O 3.36Å; S127-I153 WeakPolarHBondContact CB-O 3.44Å; S127-I153 PolarHBondContact OG-O 2.92Å
128G97Very high94.8Very high0 Ų026.2 Ų26.20%013%0.127CC..EExtended strand (participates in β ladder)trans-149.2-177.9-176.200000115.4A111 D130 G131 Q132 I153A111-G128 CarbonylContact O-C 3.57Å; A111-G128 WeakPolarHBondContact O-CA 3.45Å; G128-D130 PolarHBondContact O-N 2.91Å; G128-G131 PolarHBondContact O-N 2.8Å; G128-G131 VanDerWaalsContact O-N 3.16Å; G128-Q132 PolarHBondContact N-O 3.22Å; G128-I153 PolarHBondContact O-N 3.46Å
129E97.2Very high94.7Very high103 Ų10328.8 Ų28.848%0.48115%0.146SC..THydrogen-bonded Turntrans-64.8-25.4176.6-71.6-179.8152.200113.3A111 L113 G131A111-E129 HydrophobicContact CB-CG 3.98Å; A111-E129 PolarHBondContact N-OE2 3.49Å; A111-E129 PolarHBondContact O-N 2.97Å; L113-E129 HydrophobicContact CD1-CG 4.01Å; L113-E129 HydrophobicContact CD2-CG 4.12Å; L113-E129 HydrophobicContact CG-CG 4.17Å; E129-G131 PolarHBondContact O-N 2.99Å; E129-G131 VanDerWaalsContact O-N 3.15Å
130D97.5Very high94.9Very high26 Ų2625.8 Ų25.814%0.13914%0.137CC..THydrogen-bonded Turntrans-69.3-2.1173.160.512.2000113.9H108 Q109 G128 Q132 Q148H108-D130 VanDerWaalsContact CA-OD2 3.28Å; H108-D130 WeakPolarHBondContact CA-OD2 3.29Å; H108-D130 WeakPolarHBondContact CB-OD2 3.22Å; H108-D130 IonicContact CE1-OD1 2.98Å; H108-D130 IonicContact CG-OD1 2.73Å; H108-D130 IonicContact CG-OD2 2.93Å; H108-D130 VanDerWaalsContact ND1-CG 3.31Å; H108-D130 IonicContact ND1-OD1 3.54Å; H108-D130 PolarHBondContact ND1-OD1 3.01Å; H108-D130 IonicContact ND1-OD2 3.49Å; H108-D130 PolarHBondContact ND1-OD2 3.35Å; H108-D130 VanDerWaalsContact ND1-OD2 3.07Å; Q109-D130 HydrophobicContact CB-CB 4.21Å; Q109-D130 PolarHBondContact N-OD2 3.35Å; Q109-D130 WeakPolarHBondContact O-CB 3.29Å; G128-D130 PolarHBondContact O-N 2.91Å; D130-Q132 PolarHBondContact O-N 3.38Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.37Å; D130-Q132 PolarHBondContact OD1-N 2.96Å; D130-Q148 PolarHBondContact O-NE2 3.24Å
131G96.7Very high95.5Very high0 Ų027.7 Ų27.70%014%0.144CC..SBendtrans70.117.6179.900000114G128 E129 Q148 H149 Y151 I153G128-G131 PolarHBondContact O-N 2.8Å; G128-G131 VanDerWaalsContact O-N 3.16Å; E129-G131 PolarHBondContact O-N 2.99Å; E129-G131 VanDerWaalsContact O-N 3.15Å; G131-Q148 CarbonylContact O-C 3.56Å; G131-H149 PolarHBondContact O-N 3.1Å; G131-Y151 WeakPolarHBondContact CA-O 3.19Å; G131-I153 VanDerWaalsContact O-CD1 3.31Å; G131-I153 WeakPolarHBondContact O-CD1 3.06Å
132Q98.1Very high95.9Very high37 Ų3731.2 Ų31.217%0.17316%0.163CC..EExtended strand (participates in β ladder)trans-92.8149.2174.7-66.6179300111.3H108 S127 G128 D130 T145 C147H108-Q132 PolarHBondContact CE1-O 3.32Å; S127-Q132 WeakPolarHBondContact CA-O 3.36Å; G128-Q132 PolarHBondContact N-O 3.22Å; D130-Q132 PolarHBondContact O-N 3.38Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.37Å; D130-Q132 PolarHBondContact OD1-N 2.96Å; Q132-T145 HydrophobicContact CB-CG2 4.49Å; Q132-C147 WeakPolarHBondContact CA-O 3.46Å
133I98Very high96Very high0 Ų035.7 Ų35.70%017%0.173CC..EExtended strand (participates in β ladder)trans-115.1126.2158.1-60.3178.8000108.2T126 T145 L146 C147 I153 I156 F167T126-I133 CarbonylContact O-C 3.57Å; T126-I133 VanDerWaalsContact O-CA 3.28Å; T126-I133 WeakPolarHBondContact O-CA 3.46Å; I133-T145 CarbonylContact O-C 3.51Å; I133-L146 HydrophobicContact CB-CB 4.23Å; I133-L146 HydrophobicContact CG2-CB 4.13Å; I133-L146 HydrophobicContact CG2-CD2 4.14Å; I133-L146 PolarHBondContact O-N 2.9Å; I133-C147 VanDerWaalsContact CD1-SG 3.59Å; I133-C147 VanDerWaalsContact CG1-SG 3.58Å; I133-C147 PolarHBondContact N-O 3.15Å; I133-C147 VanDerWaalsContact N-O 3.12Å; I133-I153 HydrophobicContact CD1-CD1 4.01Å; I133-I153 HydrophobicContact CD1-CG2 4.11Å; I133-I153 HydrophobicContact CG1-CD1 3.63Å; I133-I153 HydrophobicContact CG1-CG2 4.17Å; I133-I156 HydrophobicContact CD1-CG2 3.92Å; I133-I156 HydrophobicContact CG1-CG2 4.33Å; I133-F167 HydrophobicContact CD1-CB 3.66Å; I133-F167 HydrophobicContact CD1-CD1 3.48Å; I133-F167 VanDerWaalsContact CD1-CD1 3.48Å; I133-F167 HydrophobicContact CD1-CD2 3.82Å; I133-F167 HydrophobicContact CD1-CE1 3.95Å; I133-F167 HydrophobicContact CD1-CE2 4.25Å; I133-F167 HydrophobicContact CD1-CG 3.39Å; I133-F167 HydrophobicContact CD1-CZ 4.3Å
134K97.9Very high96Very high27 Ų2738 Ų3812%0.11719%0.19CC..EExtended strand (participates in β ladder)trans-118140.6178.7-73178.5-175.7165.30111.2A107 A125 T126 W136 L142 S144 T145A107-K134 VanDerWaalsContact O-CD 3.28Å; A107-K134 WeakPolarHBondContact O-CD 2.9Å; A107-K134 WeakPolarHBondContact O-CE 3.39Å; A107-K134 PolarHBondContact O-NZ 3.43Å; A125-K134 CarbonylContact C-O 3.48Å; A125-K134 VanDerWaalsContact CA-O 3.24Å; A125-K134 WeakPolarHBondContact CA-O 3.43Å; T126-K134 PolarHBondContact N-O 3.41Å; T126-K134 PolarHBondContact O-N 3.41Å; K134-W136 HydrophobicContact CB-CZ2 3.86Å; K134-W136 VanDerWaalsContact CB-NE1 3.33Å; K134-W136 HydrophobicContact CD-CH2 4.21Å; K134-W136 HydrophobicContact CD-CZ2 3.52Å; K134-W136 HydrophobicContact CG-CZ2 4.33Å; K134-W136 PolarHBondContact O-NE1 3.41Å; K134-L142 HydrophobicContact CB-CD1 3.74Å; K134-L142 HydrophobicContact CD-CD1 3.86Å; K134-L142 HydrophobicContact CG-CD1 3.9Å; K134-S144 WeakPolarHBondContact CA-O 3.36Å; K134-T145 HydrophobicContact CG-CG2 4.32Å
135I97.1Very high96Very high6 Ų641.3 Ų41.33%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-106.2130.1174.5-51.5-55.4000108.5A125 R143 S144 L146 W158 L178A125-I135 HydrophobicContact CB-CD1 3.64Å; I135-R143 WeakPolarHBondContact O-CA 3.4Å; I135-R143 WeakPolarHBondContact O-CB 3.29Å; I135-R143 PolarHBondContact O-N 3.22Å; I135-S144 PolarHBondContact N-O 2.85Å; I135-S144 PolarHBondContact O-N 3.15Å; I135-L146 HydrophobicContact CG1-CB 4.43Å; I135-W158 HydrophobicContact CD1-CH2 3.84Å; I135-W158 HydrophobicContact CD1-CZ2 4.37Å; I135-W158 HydrophobicContact CG2-CH2 4.5Å; I135-L178 HydrophobicContact CG1-CD2 4.4Å
136W97.5Very high95.8Very high11 Ų1142.9 Ų42.94%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-123150.6-174.9-52.384.2000109.7A107 S123 F124 T126 K134 M141 L142A107-W136 HydrophobicContact CB-CH2 4.28Å; A107-W136 HydrophobicContact CB-CZ2 3.72Å; S123-W136 CarbonylContact C-O 3.59Å; S123-W136 WeakPolarHBondContact CA-O 3.15Å; S123-W136 WeakPolarHBondContact CB-O 3.25Å; F124-W136 HydrophobicContact CD1-CB 3.95Å; F124-W136 HydrophobicContact CD2-CB 3.82Å; F124-W136 AromaticContact CD2-CD1 3.62Å; F124-W136 AromaticContact CD2-CG 3.92Å; F124-W136 HydrophobicContact CD2-CG 3.92Å; F124-W136 HydrophobicContact CE1-CB 3.58Å; F124-W136 HydrophobicContact CE1-CG 4.39Å; F124-W136 HydrophobicContact CE2-CB 3.42Å; F124-W136 VanDerWaalsContact CE2-CB 3.42Å; F124-W136 AromaticContact CE2-CD1 3.35Å; F124-W136 HydrophobicContact CE2-CD2 4.14Å; F124-W136 AromaticContact CE2-CG 3.35Å; F124-W136 HydrophobicContact CE2-CG 3.35Å; F124-W136 HydrophobicContact CG-CB 4.07Å; F124-W136 HydrophobicContact CZ-CB 3.3Å; F124-W136 HydrophobicContact CZ-CD2 4.31Å; F124-W136 AromaticContact CZ-CG 3.63Å; F124-W136 HydrophobicContact CZ-CG 3.63Å; F124-W136 PolarHBondContact N-O 3.38Å; F124-W136 PolarHBondContact O-N 2.93Å; T126-W136 PolarHBondContact OG1-NE1 3.21Å; K134-W136 HydrophobicContact CB-CZ2 3.86Å; K134-W136 VanDerWaalsContact CB-NE1 3.33Å; K134-W136 HydrophobicContact CD-CH2 4.21Å; K134-W136 HydrophobicContact CD-CZ2 3.52Å; K134-W136 HydrophobicContact CG-CZ2 4.33Å; K134-W136 PolarHBondContact O-NE1 3.41Å; W136-M141 WeakPolarHBondContact CA-O 3.41Å; W136-L142 HydrophobicContact CD2-CD1 4.03Å; W136-L142 VanDerWaalsContact CE3-CA 3.49Å; W136-L142 HydrophobicContact CE3-CB 3.79Å; W136-L142 HydrophobicContact CE3-CD1 4.11Å; W136-L142 HydrophobicContact CH2-CB 4.22Å; W136-L142 HydrophobicContact CH2-CD1 4.03Å; W136-L142 HydrophobicContact CZ2-CD1 3.94Å; W136-L142 HydrophobicContact CZ3-CB 3.63Å; W136-L142 HydrophobicContact CZ3-CD1 4.12Å; W136-L142 HydrophobicContact CZ3-CG 4.4Å
137S95.4Very high95.5Very high9 Ų943.8 Ų43.86%0.06322%0.224CC..EExtended strand (participates in β ladder)trans-71.6157.3163.661.30000110.4F124 S139 G140 M141F124-S137 WeakPolarHBondContact CE1-O 3.37Å; S137-S139 WeakPolarHBondContact CB-OG 3.42Å; S137-S139 PolarHBondContact O-N 2.93Å; S137-S139 PolarHBondContact OG-N 2.8Å; S137-S139 PolarHBondContact OG-OG 3.43Å; S137-G140 PolarHBondContact O-N 3.46Å; S137-M141 PolarHBondContact N-O 3.24Å; S137-M141 WeakPolarHBondContact OG-CB 3.18Å; S137-M141 PolarHBondContact OG-N 3.41Å; S137-M141 PolarHBondContact OG-O 3.46Å
138R91.5Very high95.4Very high82 Ų8248.8 Ų48.831%0.30925%0.248SC..THydrogen-bonded Turntrans-49.4-27.7167.7179.8-179.7178.9174-0.5113.3Q68 I94 W117 G121 T122 G140Q68-R138 VanDerWaalsContact OE1-NH1 3.08Å; I94-R138 VanDerWaalsContact CD1-O 3.23Å; I94-R138 WeakPolarHBondContact CD1-O 3.19Å; W117-R138 HydrophobicContact CH2-CB 4.43Å; W117-R138 HydrophobicContact CH2-CG 4.05Å; W117-R138 HydrophobicContact CZ3-CB 3.99Å; W117-R138 HydrophobicContact CZ3-CG 3.97Å; G121-R138 WeakPolarHBondContact O-CD 3.27Å; T122-R138 WeakPolarHBondContact O-CB 3.49Å; T122-R138 PolarHBondContact O-N 3.4Å; R138-G140 PolarHBondContact O-N 3.26Å
139S90.4Very high95.3Very high64 Ų6451.5 Ų51.545%0.44826%0.26SS..THydrogen-bonded Turntrans-72.8-7.6176.937.10000115.7R103 S137R103-S139 WeakPolarHBondContact CD-O 3.36Å; R103-S139 PolarHBondContact NH1-O 3.43Å; S137-S139 WeakPolarHBondContact CB-OG 3.42Å; S137-S139 PolarHBondContact O-N 2.93Å; S137-S139 PolarHBondContact OG-N 2.8Å; S137-S139 PolarHBondContact OG-OG 3.43Å
140G90.6Very high95.1Very high14 Ų1451.8 Ų51.814%0.14427%0.273CS..SBendtrans85.45.1-172.900000114S105 S137 R138S105-G140 PolarHBondContact OG-O 2.87Å; S137-G140 PolarHBondContact O-N 3.46Å; R138-G140 PolarHBondContact O-N 3.26Å
141M95.1Very high95Very high138 Ų13856.6 Ų56.668%0.6829%0.29SS*.  trans-81.7128.8174.9-177.5-177.5178.700110.2W136 S137 R143W136-M141 WeakPolarHBondContact CA-O 3.41Å; S137-M141 PolarHBondContact N-O 3.24Å; S137-M141 WeakPolarHBondContact OG-CB 3.18Å; S137-M141 PolarHBondContact OG-N 3.41Å; S137-M141 PolarHBondContact OG-O 3.46Å; M141-R143 PolarHBondContact O-N 2.75Å
142L96.7Very high95Very high74 Ų7458.6 Ų58.639%0.38730%0.304SS..EExtended strand (participates in β ladder)trans-62123.4174.8-177.262.7000110.1K134 W136K134-L142 HydrophobicContact CB-CD1 3.74Å; K134-L142 HydrophobicContact CD-CD1 3.86Å; K134-L142 HydrophobicContact CG-CD1 3.9Å; W136-L142 HydrophobicContact CD2-CD1 4.03Å; W136-L142 VanDerWaalsContact CE3-CA 3.49Å; W136-L142 HydrophobicContact CE3-CB 3.79Å; W136-L142 HydrophobicContact CE3-CD1 4.11Å; W136-L142 HydrophobicContact CH2-CB 4.22Å; W136-L142 HydrophobicContact CH2-CD1 4.03Å; W136-L142 HydrophobicContact CZ2-CD1 3.94Å; W136-L142 HydrophobicContact CZ3-CB 3.63Å; W136-L142 HydrophobicContact CZ3-CD1 4.12Å; W136-L142 HydrophobicContact CZ3-CG 4.4Å
143R94.4Very high95Very high151 Ų15156.9 Ų56.957%0.5730%0.295SS*.EExtended strand (participates in β ladder)trans-93.7-45.8175.1-71.6-172.9171179.25.4111.6S123 I135 M141S123-R143 PolarHBondContact OG-NH1 2.76Å; I135-R143 WeakPolarHBondContact O-CA 3.4Å; I135-R143 WeakPolarHBondContact O-CB 3.29Å; I135-R143 PolarHBondContact O-N 3.22Å; M141-R143 PolarHBondContact O-N 2.75Å
144S94.7Very high95Very high57 Ų5761.1 Ų61.140%0.39931%0.312SS..EExtended strand (participates in β ladder)trans-162158.8-179.958.40000111.9K134 I135K134-S144 WeakPolarHBondContact CA-O 3.36Å; I135-S144 PolarHBondContact N-O 2.85Å; I135-S144 PolarHBondContact O-N 3.15Å
145T95.2Very high95.1Very high69 Ų6960.2 Ų60.242%0.42331%0.309SS..EExtended strand (participates in β ladder)trans-99.3116.5162.6-56.40000107.2Q132 I133 K134Q132-T145 HydrophobicContact CB-CG2 4.49Å; I133-T145 CarbonylContact O-C 3.51Å; K134-T145 HydrophobicContact CG-CG2 4.32Å
146L94.1Very high95.1Very high33 Ų3360 Ų6017%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-74.7-44.2-174.6-176.865.3000111.8I133 I135 M165 Q176 L178I133-L146 HydrophobicContact CB-CB 4.23Å; I133-L146 HydrophobicContact CG2-CB 4.13Å; I133-L146 HydrophobicContact CG2-CD2 4.14Å; I133-L146 PolarHBondContact O-N 2.9Å; I135-L146 HydrophobicContact CG1-CB 4.43Å; L146-M165 HydrophobicContact CD2-CB 3.89Å; L146-M165 HydrophobicContact CD2-CG 3.78Å; L146-Q176 HydrophobicContact CD1-CG 3.84Å; L146-Q176 HydrophobicContact CD2-CB 4.4Å; L146-Q176 HydrophobicContact CD2-CG 4.07Å; L146-Q176 HydrophobicContact CG-CG 3.86Å; L146-L178 HydrophobicContact CD1-CG 4.33Å; L146-L178 HydrophobicContact CD2-CD1 4.45Å
147C92.6Very high95.1Very high19 Ų1960 Ų6013%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-151.8163.3177.363.70000111.6Q132 I133Q132-C147 WeakPolarHBondContact CA-O 3.46Å; I133-C147 VanDerWaalsContact CD1-SG 3.59Å; I133-C147 VanDerWaalsContact CG1-SG 3.58Å; I133-C147 PolarHBondContact N-O 3.15Å; I133-C147 VanDerWaalsContact N-O 3.12Å
148Q94.9Very high95.1Very high105 Ų10560 Ų6049%0.49131%0.308SS..EExtended strand (participates in β ladder)trans-137.3123.8173.2169.671.969.900107.6D130 G131D130-Q148 PolarHBondContact O-NE2 3.24Å; G131-Q148 CarbonylContact O-C 3.56Å
149H95.3Very high95Very high56 Ų5656 Ų5626%0.25929%0.293SS..  trans-125.2169.4176.1-66.7-81.8000111G131 F167 L169G131-H149 PolarHBondContact O-N 3.1Å; H149-F167 AromaticContact NE2-CE2 3.84Å; H149-F167 AromaticContact NE2-CZ 3.79Å; H149-L169 HydrophobicContact CB-CD1 3.53Å
150S93.5Very high94.2Very high109 Ų10954.2 Ų54.276%0.76228%0.282SS*.SBendtrans-88-4.8177.554.80000113.8
151Y94.9Very high93.4Very high127 Ų12757 Ų5750%0.49829%0.294SS..SBendtrans-117.8149.2-177.8-63.9-79.7000110.1G131G131-Y151 WeakPolarHBondContact CA-O 3.19Å
152P97.3Very high92.8Very high43 Ų4351 Ų5128%0.27927%0.265SS..  trans-55.5143.2171.9-26.636000112.5L113 Y154L113-P152 HydrophobicContact CD1-CB 4.01Å; P152-Y154 HydrophobicContact CB-CE2 4.14Å
153I98.4Very high92.3Very high0 Ų051.3 Ų51.30%027%0.267CS..  trans-109.598.7176.1-63.1173.7000108.2S127 G128 G131 I133 I156 F167 L169S127-I153 WeakPolarHBondContact CB-O 3.44Å; S127-I153 PolarHBondContact OG-O 2.92Å; G128-I153 PolarHBondContact O-N 3.46Å; G131-I153 VanDerWaalsContact O-CD1 3.31Å; G131-I153 WeakPolarHBondContact O-CD1 3.06Å; I133-I153 HydrophobicContact CD1-CD1 4.01Å; I133-I153 HydrophobicContact CD1-CG2 4.11Å; I133-I153 HydrophobicContact CG1-CD1 3.63Å; I133-I153 HydrophobicContact CG1-CG2 4.17Å; I153-I156 HydrophobicContact CG2-CG2 3.97Å; I153-F167 HydrophobicContact CD1-CD2 4.19Å; I153-F167 HydrophobicContact CD1-CE2 4.27Å; I153-F167 HydrophobicContact CG1-CD2 4.47Å; I153-F167 HydrophobicContact CG2-CB 4.02Å; I153-F167 HydrophobicContact CG2-CD2 4.14Å; I153-F167 HydrophobicContact CG2-CG 4.47Å; I153-L169 HydrophobicContact CG1-CD1 4.36Å
154Y98.3Very high92.2Very high90 Ų9048.3 Ų48.335%0.35326%0.261SS..  trans-70-40-172.3-76.4-82.9000113.6L113 P152 V193L113-Y154 HydrophobicContact CD1-CD1 4.01Å; L113-Y154 HydrophobicContact CD1-CE1 4.29Å; L113-Y154 HydrophobicContact CD1-CG 4.34Å; P152-Y154 HydrophobicContact CB-CE2 4.14Å; Y154-V193 HydrophobicContact CD2-CG1 3.78Å; Y154-V193 HydrophobicContact CE2-CG1 3.54Å
155S98.4Very high92.3Very high8 Ų845.6 Ų45.66%0.05624%0.242CC..  trans-145143.1-172.7-172.40000111.8F167 S168 V197S155-F167 VanDerWaalsContact O-CA 3.28Å; S155-F167 WeakPolarHBondContact O-CA 3.3Å; S155-S168 PolarHBondContact N-OG 3.32Å; S155-S168 PolarHBondContact O-N 3.49Å; S155-S168 VanDerWaalsContact O-N 3.08Å; S155-V197 PolarHBondContact OG-N 3.1Å; S155-V197 VanDerWaalsContact OG-N 3.12Å; S155-V197 PolarHBondContact OG-O 3.49Å
156I98.1Very high92.4Very high1 Ų142.3 Ų42.31%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-129.3151.3175.369-174.6000110K116 A125 I133 I153 M165 L166 F167K116-I156 HydrophobicContact CB-CG1 4.37Å; K116-I156 HydrophobicContact CG-CG1 3.97Å; A125-I156 HydrophobicContact CB-CD1 3.59Å; I133-I156 HydrophobicContact CD1-CG2 3.92Å; I133-I156 HydrophobicContact CG1-CG2 4.33Å; I153-I156 HydrophobicContact CG2-CG2 3.97Å; I156-M165 HydrophobicContact CB-CE 3.64Å; I156-M165 HydrophobicContact CD1-CE 3.9Å; I156-M165 HydrophobicContact CG1-CE 3.95Å; I156-M165 HydrophobicContact CG2-CE 4.41Å; I156-L166 CarbonylContact C-O 3.56Å; I156-L166 VanDerWaalsContact CA-O 3.3Å; I156-L166 WeakPolarHBondContact CA-O 3.5Å; I156-F167 HydrophobicContact CB-CB 4.48Å; I156-F167 HydrophobicContact CG2-CB 3.84Å
157S97.3Very high92.6Very high11 Ų1140.8 Ų40.88%0.07721%0.214CC..EExtended strand (participates in β ladder)trans-146.5141.6171.4-172.10000110.6L166 D198 W199S157-L166 PolarHBondContact N-O 3.42Å; S157-L166 PolarHBondContact O-N 3.22Å; S157-D198 PolarHBondContact OG-OD1 2.93Å; S157-D198 VanDerWaalsContact OG-OD1 3.13Å; S157-W199 PolarHBondContact OG-N 3Å; S157-W199 VanDerWaalsContact OG-N 3.12Å
158W95.4Very high92.9Very high8 Ų839.9 Ų39.93%0.0321%0.208CC..EExtended strand (participates in β ladder)trans-78133.4-179.9-71.1100.9000110.7K116 W117 D118 F119 A125 I135 S162 M165 L178K116-W158 PolarHBondContact O-NE1 3.27Å; K116-W158 VanDerWaalsContact O-NE1 3.07Å; W117-W158 VanDerWaalsContact C-NE1 3.34Å; W117-W158 PolarHBondContact O-NE1 3.38Å; D118-W158 HydrophobicContact CB-CD2 4.45Å; D118-W158 HydrophobicContact CB-CH2 4.47Å; D118-W158 HydrophobicContact CB-CZ2 4.1Å; F119-W158 HydrophobicContact CD2-CB 4.37Å; F119-W158 HydrophobicContact CE2-CB 3.61Å; F119-W158 HydrophobicContact CZ-CB 3.91Å; A125-W158 HydrophobicContact CB-CH2 4.22Å; A125-W158 HydrophobicContact CB-CZ2 3.52Å; I135-W158 HydrophobicContact CD1-CH2 3.84Å; I135-W158 HydrophobicContact CD1-CZ2 4.37Å; I135-W158 HydrophobicContact CG2-CH2 4.5Å; W158-S162 VanDerWaalsContact CZ3-O 3.29Å; W158-S162 WeakPolarHBondContact CZ3-O 3.42Å; W158-M165 HydrophobicContact CB-SD 4.43Å; W158-M165 HydrophobicContact CD2-CE 4.41Å; W158-M165 HydrophobicContact CD2-SD 3.24Å; W158-M165 HydrophobicContact CE3-CG 4.12Å; W158-M165 HydrophobicContact CE3-SD 3.14Å; W158-M165 HydrophobicContact CG-SD 3.83Å; W158-M165 HydrophobicContact CH2-SD 4Å; W158-M165 HydrophobicContact CZ2-SD 4.08Å; W158-M165 HydrophobicContact CZ3-CG 4.12Å; W158-M165 HydrophobicContact CZ3-SD 3.54Å; W158-M165 VanDerWaalsContact CZ3-SD 3.54Å; W158-L178 HydrophobicContact CH2-CD2 4.02Å; W158-L178 HydrophobicContact CZ3-CD1 3.85Å; W158-L178 HydrophobicContact CZ3-CD2 3.69Å; W158-L178 HydrophobicContact CZ3-CG 4.44Å
159G88.9Confident93Very high0 Ų035.8 Ų35.80%019%0.189CC..  trans-82.7177168.400000112.8F119 N161 S162 M164 W199F119-G159 WeakPolarHBondContact CE2-O 3.46Å; G159-N161 PolarHBondContact O-N 2.55Å; G159-S162 PolarHBondContact O-N 2.98Å; G159-S162 VanDerWaalsContact O-N 3.07Å; G159-M164 PolarHBondContact N-O 3.28Å; G159-W199 VanDerWaalsContact CA-CD2 3.47Å; G159-W199 VanDerWaalsContact CA-CZ3 3.49Å
160A74.9Confident93.1Very high26 Ų2635.6 Ų35.622%0.21519%0.19CC..G310 helixtrans-50.5138.8-177.200000112.9S162 N163A160-S162 PolarHBondContact O-N 3.34Å; A160-S162 VanDerWaalsContact O-N 3.15Å; A160-N163 PolarHBondContact O-N 3.26Å
161N72.8Confident93.3Very high72 Ų7235.2 Ų35.239%0.38517%0.172SC..G310 helixtrans57.420.3-178-58.1-17.5000114.9G159 N163G159-N161 PolarHBondContact O-N 2.55Å; N161-N163 PolarHBondContact O-N 3.02Å
162S82.1Confident93.4Very high12 Ų1232.8 Ų32.88%0.08417%0.165CC..G310 helixtrans5424.7-178.8-620000114.4F119 W158 G159 A160F119-S162 VanDerWaalsContact CD2-OG 3.22Å; F119-S162 WeakPolarHBondContact CD2-OG 3.31Å; F119-S162 PolarHBondContact N-OG 3.38Å; F119-S162 VanDerWaalsContact N-OG 3.15Å; W158-S162 VanDerWaalsContact CZ3-O 3.29Å; W158-S162 WeakPolarHBondContact CZ3-O 3.42Å; G159-S162 PolarHBondContact O-N 2.98Å; G159-S162 VanDerWaalsContact O-N 3.07Å; A160-S162 PolarHBondContact O-N 3.34Å; A160-S162 VanDerWaalsContact O-N 3.15Å
163N87.4Confident93.5Very high80 Ų8030.8 Ų30.843%0.42815%0.152SC..  trans-99.9-12.3-179.2-74.4-34.8000113.2A160 N161 S177 L178A160-N163 PolarHBondContact O-N 3.26Å; N161-N163 PolarHBondContact O-N 3.02Å; N163-S177 WeakPolarHBondContact O-CA 3.49Å; N163-L178 PolarHBondContact O-N 2.92Å
164M92.5Very high93.5Very high88 Ų8830.9 Ų30.943%0.43315%0.153SC..EExtended strand (participates in β ladder)trans-126.7154.7176.1-65.9-168.4179.700110.3G159 Q176 W199G159-M164 PolarHBondContact N-O 3.28Å; M164-Q176 CarbonylContact C-O 3.58Å; M164-Q176 WeakPolarHBondContact CA-O 3.34Å; M164-W199 HydrophobicContact CB-CH2 3.88Å; M164-W199 HydrophobicContact CB-CZ3 3.82Å; M164-W199 HydrophobicContact SD-CH2 3.92Å
165M95.7Very high93.4Very high0 Ų027.2 Ų27.20%014%0.14CC..EExtended strand (participates in β ladder)trans-127128.8175.1-72.8-65.2-6500109.3A125 L146 I156 W158 T175 Q176 L178A125-M165 HydrophobicContact CB-CE 3.72Å; A125-M165 HydrophobicContact CB-SD 4.4Å; L146-M165 HydrophobicContact CD2-CB 3.89Å; L146-M165 HydrophobicContact CD2-CG 3.78Å; I156-M165 HydrophobicContact CB-CE 3.64Å; I156-M165 HydrophobicContact CD1-CE 3.9Å; I156-M165 HydrophobicContact CG1-CE 3.95Å; I156-M165 HydrophobicContact CG2-CE 4.41Å; W158-M165 HydrophobicContact CB-SD 4.43Å; W158-M165 HydrophobicContact CD2-CE 4.41Å; W158-M165 HydrophobicContact CD2-SD 3.24Å; W158-M165 HydrophobicContact CE3-CG 4.12Å; W158-M165 HydrophobicContact CE3-SD 3.14Å; W158-M165 HydrophobicContact CG-SD 3.83Å; W158-M165 HydrophobicContact CH2-SD 4Å; W158-M165 HydrophobicContact CZ2-SD 4.08Å; W158-M165 HydrophobicContact CZ3-CG 4.12Å; W158-M165 HydrophobicContact CZ3-SD 3.54Å; W158-M165 VanDerWaalsContact CZ3-SD 3.54Å; M165-T175 CarbonylContact O-C 3.59Å; M165-T175 VanDerWaalsContact O-CA 3.29Å; M165-T175 WeakPolarHBondContact O-CA 3.3Å; M165-Q176 PolarHBondContact N-O 3.07Å; M165-Q176 PolarHBondContact O-N 3.29Å; M165-L178 HydrophobicContact CG-CD1 3.59Å
166L97.9Very high93.2Very high0 Ų027.9 Ų27.90%014%0.142CC..EExtended strand (participates in β ladder)trans-91.7137.6161.8175.166.2000108.4I156 S157 L173 V174 T175 V197 W199 L206I156-L166 CarbonylContact C-O 3.56Å; I156-L166 VanDerWaalsContact CA-O 3.3Å; I156-L166 WeakPolarHBondContact CA-O 3.5Å; S157-L166 PolarHBondContact N-O 3.42Å; S157-L166 PolarHBondContact O-N 3.22Å; L166-L173 HydrophobicContact CD1-CB 4.26Å; L166-L173 HydrophobicContact CD1-CD2 4.22Å; L166-V174 CarbonylContact C-O 3.55Å; L166-V174 WeakPolarHBondContact CA-O 3.4Å; L166-T175 HydrophobicContact CD1-CG2 3.96Å; L166-V197 HydrophobicContact CD2-CB 3.89Å; L166-V197 HydrophobicContact CD2-CG2 4.1Å; L166-V197 HydrophobicContact CG-CB 4.26Å; L166-V197 HydrophobicContact CG-CG2 4.06Å; L166-W199 HydrophobicContact CB-CE3 3.72Å; L166-W199 HydrophobicContact CB-CZ3 4.32Å; L166-W199 HydrophobicContact CD2-CB 4.26Å; L166-L206 HydrophobicContact CD1-CD1 4.08Å; L166-L206 HydrophobicContact CD2-CB 4.01Å; L166-L206 HydrophobicContact CD2-CD1 4.35Å; L166-L206 HydrophobicContact CD2-CD2 4.17Å; L166-L206 HydrophobicContact CD2-CG 4.4Å
167F98.4Very high93Very high1 Ų128.3 Ų28.30%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-149157.7171.162.7-88.1000112.6I133 H149 I153 S155 I156 L169 V174 Q176I133-F167 HydrophobicContact CD1-CB 3.66Å; I133-F167 HydrophobicContact CD1-CD1 3.48Å; I133-F167 VanDerWaalsContact CD1-CD1 3.48Å; I133-F167 HydrophobicContact CD1-CD2 3.82Å; I133-F167 HydrophobicContact CD1-CE1 3.95Å; I133-F167 HydrophobicContact CD1-CE2 4.25Å; I133-F167 HydrophobicContact CD1-CG 3.39Å; I133-F167 HydrophobicContact CD1-CZ 4.3Å; H149-F167 AromaticContact NE2-CE2 3.84Å; H149-F167 AromaticContact NE2-CZ 3.79Å; I153-F167 HydrophobicContact CD1-CD2 4.19Å; I153-F167 HydrophobicContact CD1-CE2 4.27Å; I153-F167 HydrophobicContact CG1-CD2 4.47Å; I153-F167 HydrophobicContact CG2-CB 4.02Å; I153-F167 HydrophobicContact CG2-CD2 4.14Å; I153-F167 HydrophobicContact CG2-CG 4.47Å; S155-F167 VanDerWaalsContact O-CA 3.28Å; S155-F167 WeakPolarHBondContact O-CA 3.3Å; I156-F167 HydrophobicContact CB-CB 4.48Å; I156-F167 HydrophobicContact CG2-CB 3.84Å; F167-L169 HydrophobicContact CE2-CB 4.4Å; F167-V174 HydrophobicContact CD1-CB 4.08Å; F167-V174 HydrophobicContact CD1-CG1 4.42Å; F167-V174 HydrophobicContact CD2-CB 4.03Å; F167-V174 HydrophobicContact CD2-CG2 4.26Å; F167-V174 HydrophobicContact CE1-CB 3.66Å; F167-V174 HydrophobicContact CE1-CG1 3.57Å; F167-V174 HydrophobicContact CE2-CB 3.6Å; F167-V174 HydrophobicContact CE2-CG1 4.02Å; F167-V174 HydrophobicContact CE2-CG2 3.73Å; F167-V174 HydrophobicContact CG-CB 4.26Å; F167-V174 HydrophobicContact CZ-CB 3.42Å; F167-V174 VanDerWaalsContact CZ-CB 3.42Å; F167-V174 HydrophobicContact CZ-CG1 3.34Å; F167-V174 HydrophobicContact CZ-CG2 3.96Å; F167-V174 PolarHBondContact N-O 2.85Å; F167-V174 PolarHBondContact O-N 2.93Å; F167-Q176 HydrophobicContact CE1-CB 3.91Å
168S98Very high92.6Very high1 Ų130.6 Ų30.61%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-87139.5172.655.30000112S155 I194S155-S168 PolarHBondContact N-OG 3.32Å; S155-S168 PolarHBondContact O-N 3.49Å; S155-S168 VanDerWaalsContact O-N 3.08Å; S168-I194 WeakPolarHBondContact CB-O 3.46Å; S168-I194 PolarHBondContact OG-O 3.36Å
169L97.6Very high92.3Very high19 Ų1936.1 Ų36.110%0.09918%0.182CC..EExtended strand (participates in β ladder)trans-137.895.5173.6-174.969.9000109.3H149 I153 F167 R171 Q172 V174H149-L169 HydrophobicContact CB-CD1 3.53Å; I153-L169 HydrophobicContact CG1-CD1 4.36Å; F167-L169 HydrophobicContact CE2-CB 4.4Å; L169-R171 PolarHBondContact O-N 2.85Å; L169-Q172 PolarHBondContact N-O 3.22Å; L169-Q172 WeakPolarHBondContact O-CB 3.1Å; L169-Q172 PolarHBondContact O-N 2.98Å; L169-V174 HydrophobicContact CB-CG2 3.95Å; L169-V174 HydrophobicContact CD2-CG2 4.28Å
170D96.8Very high92Very high52 Ų5240.2 Ų40.228%0.27822%0.216SC..THydrogen-bonded Turntrans51.4-109.7-170.117951.2000110.7V193 I194D170-V193 WeakPolarHBondContact O-CA 3.38Å; D170-I194 PolarHBondContact O-N 2.99Å
171R98Very high92.5Very high100 Ų10047 Ų4738%0.37725%0.249SC..THydrogen-bonded Turntrans-94.11.3-179.8-63.4170.3-159-143.89.8113.9L169 A189 H190 D191 G192L169-R171 PolarHBondContact O-N 2.85Å; R171-A189 PolarHBondContact O-N 3.45Å; R171-H190 PolarHBondContact O-N 3.18Å; R171-D191 PolarHBondContact NH1-O 2.82Å; R171-G192 WeakPolarHBondContact CG-O 3.21Å
172Q98.3Very high93.4Very high77 Ų7746.8 Ų46.836%0.3625%0.25SC..EExtended strand (participates in β ladder)trans-107.1145.2-174.6-60.1-172.8-1.200111.7L169 W187L169-Q172 PolarHBondContact N-O 3.22Å; L169-Q172 WeakPolarHBondContact O-CB 3.1Å; L169-Q172 PolarHBondContact O-N 2.98Å; Q172-W187 VanDerWaalsContact CA-O 3.23Å; Q172-W187 WeakPolarHBondContact CA-O 3.08Å; Q172-W187 WeakPolarHBondContact CB-O 3.4Å
173L98.5Very high93.9Very high0 Ų055 Ų550%028%0.284CS..EExtended strand (participates in β ladder)trans-95.1140.8161-70.3176.9000108.7L166 S186 W187 A189 I194 V197 W218L166-L173 HydrophobicContact CD1-CB 4.26Å; L166-L173 HydrophobicContact CD1-CD2 4.22Å; L173-S186 VanDerWaalsContact O-CA 3.24Å; L173-S186 WeakPolarHBondContact O-CA 3.48Å; L173-W187 HydrophobicContact CB-CD2 4.23Å; L173-W187 HydrophobicContact CB-CE3 4.47Å; L173-W187 HydrophobicContact CB-CH2 3.76Å; L173-W187 HydrophobicContact CB-CZ2 3.47Å; L173-W187 VanDerWaalsContact CB-CZ2 3.47Å; L173-W187 HydrophobicContact CB-CZ3 4.25Å; L173-W187 HydrophobicContact CD1-CH2 4.41Å; L173-W187 HydrophobicContact CD1-CZ2 3.58Å; L173-W187 HydrophobicContact CG-CZ2 4.17Å; L173-W187 PolarHBondContact N-O 3.43Å; L173-W187 VanDerWaalsContact N-O 3.13Å; L173-W187 PolarHBondContact O-N 3.44Å; L173-W187 VanDerWaalsContact O-N 3.11Å; L173-A189 HydrophobicContact CB-CB 4.12Å; L173-A189 HydrophobicContact CD1-CB 3.75Å; L173-A189 HydrophobicContact CG-CB 3.57Å; L173-I194 HydrophobicContact CD2-CD1 3.8Å; L173-I194 HydrophobicContact CD2-CG2 4.17Å; L173-I194 HydrophobicContact CG-CD1 3.86Å; L173-V197 HydrophobicContact CD2-CB 4.47Å; L173-V197 HydrophobicContact CD2-CG1 3.4Å; L173-W218 HydrophobicContact CD1-CD2 4.41Å; L173-W218 HydrophobicContact CD1-CG 4.37Å
174V97.7Very high94.2Very high2 Ų254.8 Ų54.81%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-128.9131.7177.7-169.90000109.1L166 F167 L169 P184 F185L166-V174 CarbonylContact C-O 3.55Å; L166-V174 WeakPolarHBondContact CA-O 3.4Å; F167-V174 HydrophobicContact CD1-CB 4.08Å; F167-V174 HydrophobicContact CD1-CG1 4.42Å; F167-V174 HydrophobicContact CD2-CB 4.03Å; F167-V174 HydrophobicContact CD2-CG2 4.26Å; F167-V174 HydrophobicContact CE1-CB 3.66Å; F167-V174 HydrophobicContact CE1-CG1 3.57Å; F167-V174 HydrophobicContact CE2-CB 3.6Å; F167-V174 HydrophobicContact CE2-CG1 4.02Å; F167-V174 HydrophobicContact CE2-CG2 3.73Å; F167-V174 HydrophobicContact CG-CB 4.26Å; F167-V174 HydrophobicContact CZ-CB 3.42Å; F167-V174 VanDerWaalsContact CZ-CB 3.42Å; F167-V174 HydrophobicContact CZ-CG1 3.34Å; F167-V174 HydrophobicContact CZ-CG2 3.96Å; F167-V174 PolarHBondContact N-O 2.85Å; F167-V174 PolarHBondContact O-N 2.93Å; L169-V174 HydrophobicContact CB-CG2 3.95Å; L169-V174 HydrophobicContact CD2-CG2 4.28Å; V174-P184 HydrophobicContact CG1-CB 3.9Å; V174-F185 WeakPolarHBondContact CA-O 3.43Å
175T96.1Very high94.3Very high14 Ų1455.1 Ų55.19%0.08629%0.286CS..EExtended strand (participates in β ladder)trans-108.7130.2166.657.30000109M165 L166 F185 W187 W199 L206M165-T175 CarbonylContact O-C 3.59Å; M165-T175 VanDerWaalsContact O-CA 3.29Å; M165-T175 WeakPolarHBondContact O-CA 3.3Å; L166-T175 HydrophobicContact CD1-CG2 3.96Å; T175-F185 PolarHBondContact N-O 3.4Å; T175-F185 PolarHBondContact O-N 2.92Å; T175-F185 PolarHBondContact OG1-O 3.02Å; T175-W187 HydrophobicContact CG2-CH2 4.1Å; T175-W187 HydrophobicContact CG2-CZ3 4.11Å; T175-W199 HydrophobicContact CG2-CZ3 4.34Å; T175-L206 HydrophobicContact CG2-CD1 4.39Å
176Q94.9Very high94.3Very high22 Ų2257.9 Ų57.910%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-133.1129.6-178.2177.959.54400109.8L146 M164 M165 F167 V182 P184L146-Q176 HydrophobicContact CD1-CG 3.84Å; L146-Q176 HydrophobicContact CD2-CB 4.4Å; L146-Q176 HydrophobicContact CD2-CG 4.07Å; L146-Q176 HydrophobicContact CG-CG 3.86Å; M164-Q176 CarbonylContact C-O 3.58Å; M164-Q176 WeakPolarHBondContact CA-O 3.34Å; M165-Q176 PolarHBondContact N-O 3.07Å; M165-Q176 PolarHBondContact O-N 3.29Å; F167-Q176 HydrophobicContact CE1-CB 3.91Å; Q176-V182 PolarHBondContact NE2-O 3.47Å; Q176-P184 VanDerWaalsContact OE1-CD 3.23Å; Q176-P184 VanDerWaalsContact OE1-N 3.08Å
177S93Very high94.3Very high10 Ų1059.4 Ų59.47%0.0731%0.311CS..EExtended strand (participates in β ladder)trans-76.2142.7170.71790000110.4N163 Q179N163-S177 WeakPolarHBondContact O-CA 3.49Å; S177-Q179 PolarHBondContact O-N 2.81Å; S177-Q179 WeakPolarHBondContact OG-CB 3.33Å; S177-Q179 PolarHBondContact OG-N 3.09Å; S177-Q179 VanDerWaalsContact OG-N 3.09Å
178L90.6Very high94.3Very high59 Ų5966 Ų6631%0.30934%0.336SS..SBendtrans-72.1-14.8170.1-86.575000112.2I135 L146 W158 N163 M165I135-L178 HydrophobicContact CG1-CD2 4.4Å; L146-L178 HydrophobicContact CD1-CG 4.33Å; L146-L178 HydrophobicContact CD2-CD1 4.45Å; W158-L178 HydrophobicContact CH2-CD2 4.02Å; W158-L178 HydrophobicContact CZ3-CD1 3.85Å; W158-L178 HydrophobicContact CZ3-CD2 3.69Å; W158-L178 HydrophobicContact CZ3-CG 4.44Å; N163-L178 PolarHBondContact O-N 2.92Å; M165-L178 HydrophobicContact CG-CD1 3.59Å
179Q87.9Confident94.3Very high124 Ų12466 Ų6658%0.57934%0.337SS*.SBendtrans-71.3136.4175.4-62.4179.7-11.400110.6S177 V182S177-Q179 PolarHBondContact O-N 2.81Å; S177-Q179 WeakPolarHBondContact OG-CB 3.33Å; S177-Q179 PolarHBondContact OG-N 3.09Å; S177-Q179 VanDerWaalsContact OG-N 3.09Å; Q179-V182 HydrophobicContact CB-CG2 4.13Å
180A83.9Confident94.3Very high85 Ų8565.2 Ų65.270%0.70233%0.332SS*.THydrogen-bonded Turntrans-60147178.400000111.7V182A180-V182 PolarHBondContact O-N 3.22Å
181N85.1Confident94.4Very high170 Ų17067 Ų6791%0.90934%0.342SS*.THydrogen-bonded Turntrans66.36.9175.6-53-39.9000116.8
182V90.5Very high94.4Very high67 Ų6762.9 Ų62.941%0.40633%0.33SS..PPolyproline II helixtrans-85121.7168.4-178.40000108.9Q176 Q179 A180Q176-V182 PolarHBondContact NE2-O 3.47Å; Q179-V182 HydrophobicContact CB-CG2 4.13Å; A180-V182 PolarHBondContact O-N 3.22Å
183K92.6Very high94.4Very high184 Ų18460.4 Ų60.480%0.832%0.32SS*.PPolyproline II helixtrans-68.2142.9-178.6-69-177.2179.3179.40111.1
184P93.8Very high94.4Very high75 Ų7560.4 Ų60.449%0.48732%0.32SS..PPolyproline II helixtrans-60.7141.1171.419.7-27.8000110.3V174 Q176V174-P184 HydrophobicContact CG1-CB 3.9Å; Q176-P184 VanDerWaalsContact OE1-CD 3.23Å; Q176-P184 VanDerWaalsContact OE1-N 3.08Å
185F95Very high94.5Very high96 Ų9662 Ų6242%0.42133%0.329SS..EExtended strand (participates in β ladder)trans-107.1115.3169.7173.8-111.8000108.7V174 T175 W187 Y221V174-F185 WeakPolarHBondContact CA-O 3.43Å; T175-F185 PolarHBondContact N-O 3.4Å; T175-F185 PolarHBondContact O-N 2.92Å; T175-F185 PolarHBondContact OG1-O 3.02Å; F185-W187 AromaticContact CD1-CE3 3.86Å; F185-W187 HydrophobicContact CD1-CE3 3.86Å; F185-W187 AromaticContact CD1-CZ3 3.7Å; F185-W187 HydrophobicContact CD1-CZ3 3.7Å; F185-W187 HydrophobicContact CE1-CD2 4.45Å; F185-W187 AromaticContact CE1-CE3 3.5Å; F185-W187 HydrophobicContact CE1-CE3 3.5Å; F185-W187 AromaticContact CE1-CZ3 3.6Å; F185-W187 HydrophobicContact CE1-CZ3 3.6Å; F185-W187 HydrophobicContact CZ-CE3 4.12Å; F185-Y221 WeakPolarHBondContact CE1-O 3.42Å; F185-Y221 WeakPolarHBondContact CZ-O 3.48Å
186S96.4Very high94.6Very high58 Ų5863 Ų6341%0.40633%0.332SS..EExtended strand (participates in β ladder)trans-128.6151.5-179.268.80000112.6L173L173-S186 VanDerWaalsContact O-CA 3.24Å; L173-S186 WeakPolarHBondContact O-CA 3.48Å
187W98.1Very high94.7Very high31 Ų3162.1 Ų62.112%0.11733%0.329CS..EExtended strand (participates in β ladder)trans-147.4155.5175.565.9101.5000110.8Q172 L173 T175 F185 A189 L206 W218Q172-W187 VanDerWaalsContact CA-O 3.23Å; Q172-W187 WeakPolarHBondContact CA-O 3.08Å; Q172-W187 WeakPolarHBondContact CB-O 3.4Å; L173-W187 HydrophobicContact CB-CD2 4.23Å; L173-W187 HydrophobicContact CB-CE3 4.47Å; L173-W187 HydrophobicContact CB-CH2 3.76Å; L173-W187 HydrophobicContact CB-CZ2 3.47Å; L173-W187 VanDerWaalsContact CB-CZ2 3.47Å; L173-W187 HydrophobicContact CB-CZ3 4.25Å; L173-W187 HydrophobicContact CD1-CH2 4.41Å; L173-W187 HydrophobicContact CD1-CZ2 3.58Å; L173-W187 HydrophobicContact CG-CZ2 4.17Å; L173-W187 PolarHBondContact N-O 3.43Å; L173-W187 VanDerWaalsContact N-O 3.13Å; L173-W187 PolarHBondContact O-N 3.44Å; L173-W187 VanDerWaalsContact O-N 3.11Å; T175-W187 HydrophobicContact CG2-CH2 4.1Å; T175-W187 HydrophobicContact CG2-CZ3 4.11Å; F185-W187 AromaticContact CD1-CE3 3.86Å; F185-W187 HydrophobicContact CD1-CE3 3.86Å; F185-W187 AromaticContact CD1-CZ3 3.7Å; F185-W187 HydrophobicContact CD1-CZ3 3.7Å; F185-W187 HydrophobicContact CE1-CD2 4.45Å; F185-W187 AromaticContact CE1-CE3 3.5Å; F185-W187 HydrophobicContact CE1-CE3 3.5Å; F185-W187 AromaticContact CE1-CZ3 3.6Å; F185-W187 HydrophobicContact CE1-CZ3 3.6Å; F185-W187 HydrophobicContact CZ-CE3 4.12Å; W187-A189 PolarHBondContact O-N 2.9Å; W187-L206 HydrophobicContact CH2-CD1 3.75Å; W187-L206 HydrophobicContact CZ2-CD1 4.09Å; W187-W218 AromaticContact CD1-CZ3 3.88Å; W187-W218 HydrophobicContact CZ2-CD2 4.5Å; W187-W218 AromaticContact NE1-CD2 3.91Å; W187-W218 AromaticContact NE1-CE3 3.44Å; W187-W218 AromaticContact NE1-CH2 3.87Å; W187-W218 AromaticContact NE1-CZ3 3.42Å
188R97.6Very high95Very high140 Ų14063.1 Ų63.153%0.52833%0.333SS..EExtended strand (participates in β ladder)trans-72.2112.4171.2-177.3-177.3174.991.9-2.3108.7D191R188-D191 IonicContact CZ-OD1 2.81Å; R188-D191 IonicContact NE-OD1 3.12Å; R188-D191 IonicContact NH2-OD1 3.24Å; R188-D191 PolarHBondContact NH2-OD1 3.31Å
189A98Very high95.3Very high2 Ų260.9 Ų60.92%0.01732%0.32CS..  trans-101.1-39.1-174.400000112.3R171 L173 W187 I194 K216 W218R171-A189 PolarHBondContact O-N 3.45Å; L173-A189 HydrophobicContact CB-CB 4.12Å; L173-A189 HydrophobicContact CD1-CB 3.75Å; L173-A189 HydrophobicContact CG-CB 3.57Å; W187-A189 PolarHBondContact O-N 2.9Å; A189-I194 HydrophobicContact CB-CD1 3.91Å; A189-K216 WeakPolarHBondContact O-CD 3.2Å; A189-K216 PolarHBondContact O-NZ 3.47Å; A189-W218 HydrophobicContact CB-CH2 3.81Å; A189-W218 HydrophobicContact CB-CZ2 3.53Å; A189-W218 WeakPolarHBondContact O-CH2 3.37Å; A189-W218 WeakPolarHBondContact O-CZ2 3.45Å
190H98.6Very high95.6Very high1 Ų155.4 Ų55.41%0.00530%0.295CS..  trans-130.2170.4-175.9-79.9-95.4000112.3R171 I194 S208 S210 D212 K214R171-H190 PolarHBondContact O-N 3.18Å; H190-I194 HydrophobicContact CB-CD1 4.36Å; H190-I194 HydrophobicContact CB-CG1 3.95Å; H190-S208 PolarHBondContact CD2-OG 2.88Å; H190-S208 PolarHBondContact NE2-OG 3.3Å; H190-S210 WeakPolarHBondContact ND1-CB 3.33Å; H190-D212 WeakPolarHBondContact CB-OD2 3.47Å; H190-D212 IonicContact CE1-OD1 3.79Å; H190-D212 IonicContact CG-OD2 2.66Å; H190-D212 VanDerWaalsContact ND1-CG 3.31Å; H190-D212 IonicContact ND1-OD1 2.67Å; H190-D212 PolarHBondContact ND1-OD1 3.26Å; H190-D212 IonicContact ND1-OD2 2.65Å; H190-D212 PolarHBondContact ND1-OD2 3.3Å; H190-K214 PolarHBondContact CE1-O 3.3Å
191D98.1Very high95.7Very high90 Ų9052.5 Ų52.548%0.48127%0.269SS..SBendtrans-96.7-12.5174.4-68.7-47.7000113.1R171 R188 D212R171-D191 PolarHBondContact NH1-O 2.82Å; R188-D191 IonicContact CZ-OD1 2.81Å; R188-D191 IonicContact NE-OD1 3.12Å; R188-D191 IonicContact NH2-OD1 3.24Å; R188-D191 PolarHBondContact NH2-OD1 3.31Å; D191-D212 HydrophobicContact CB-CB 4.38Å; D191-D212 PolarHBondContact N-OD2 2.83Å
192G97.9Very high95.8Very high13 Ų1346.3 Ų46.313%0.13424%0.235CC..SBendtrans-121.8178.717300000112.3R171 I194 S210R171-G192 WeakPolarHBondContact CG-O 3.21Å; G192-I194 PolarHBondContact O-N 3.36Å; G192-S210 VanDerWaalsContact C-OG 3.31Å; G192-S210 PolarHBondContact O-OG 3.46Å
193V98.3Very high95.7Very high26 Ų2644.6 Ų44.616%0.15822%0.224CC..  trans-62.3136.9178.9-178.20000109.5Y154 D170 L195 S210 E211Y154-V193 HydrophobicContact CD2-CG1 3.78Å; Y154-V193 HydrophobicContact CE2-CG1 3.54Å; D170-V193 WeakPolarHBondContact O-CA 3.38Å; V193-L195 HydrophobicContact CG1-CD2 4.34Å; V193-S210 VanDerWaalsContact O-CA 3.24Å; V193-S210 WeakPolarHBondContact O-CA 3.5Å; V193-S210 WeakPolarHBondContact O-CB 3.18Å; V193-S210 PolarHBondContact O-OG 3.49Å; V193-E211 HydrophobicContact CB-CG 4.25Å; V193-E211 WeakPolarHBondContact CG2-OE2 3.18Å; V193-E211 PolarHBondContact O-N 3.16Å
194I98.7Very high95.6Very high0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-88.4112.3176.7-58.9171.5000108.4S168 D170 L173 A189 H190 G192 V197 A209S168-I194 WeakPolarHBondContact CB-O 3.46Å; S168-I194 PolarHBondContact OG-O 3.36Å; D170-I194 PolarHBondContact O-N 2.99Å; L173-I194 HydrophobicContact CD2-CD1 3.8Å; L173-I194 HydrophobicContact CD2-CG2 4.17Å; L173-I194 HydrophobicContact CG-CD1 3.86Å; A189-I194 HydrophobicContact CB-CD1 3.91Å; H190-I194 HydrophobicContact CB-CD1 4.36Å; H190-I194 HydrophobicContact CB-CG1 3.95Å; G192-I194 PolarHBondContact O-N 3.36Å; I194-V197 HydrophobicContact CG2-CG1 3.6Å; I194-A209 CarbonylContact C-O 3.57Å; I194-A209 WeakPolarHBondContact CA-O 3.19Å; I194-A209 WeakPolarHBondContact CG2-O 3.25Å
195L98.4Very high95.7Very high35 Ų3535.9 Ų35.918%0.18318%0.181CC..EExtended strand (participates in β ladder)trans-85.2-40.4-172.8-62.6179.7000112V193 A209 E211 T236V193-L195 HydrophobicContact CG1-CD2 4.34Å; L195-A209 PolarHBondContact N-O 2.93Å; L195-E211 HydrophobicContact CD1-CG 3.79Å; L195-E211 HydrophobicContact CD2-CG 3.92Å; L195-E211 HydrophobicContact CG-CG 3.91Å; L195-T236 HydrophobicContact CD1-CG2 3.99Å
196Q98.5Very high95.8Very high35 Ų3531.3 Ų31.316%0.16416%0.161CC..EExtended strand (participates in β ladder)trans-141.8145.3-179.7-166.1165.2-24.100111.6S208 A209 I238Q196-S208 WeakPolarHBondContact O-CA 3.49Å; Q196-A209 HydrophobicContact CB-CB 4.37Å; Q196-A209 PolarHBondContact N-O 3.43Å; Q196-A209 PolarHBondContact O-N 2.95Å; Q196-I238 HydrophobicContact CB-CG2 4.19Å; Q196-I238 HydrophobicContact CG-CG2 4.12Å; Q196-I238 PolarHBondContact NE2-O 3.13Å
197V98.7Very high95.9Very high4 Ų428.5 Ų28.52%0.02414%0.141CC..EExtended strand (participates in β ladder)trans-133.9150.4175.9-57.50000109.8S155 L166 L173 I194 I207S155-V197 PolarHBondContact OG-N 3.1Å; S155-V197 VanDerWaalsContact OG-N 3.12Å; S155-V197 PolarHBondContact OG-O 3.49Å; L166-V197 HydrophobicContact CD2-CB 3.89Å; L166-V197 HydrophobicContact CD2-CG2 4.1Å; L166-V197 HydrophobicContact CG-CB 4.26Å; L166-V197 HydrophobicContact CG-CG2 4.06Å; L173-V197 HydrophobicContact CD2-CB 4.47Å; L173-V197 HydrophobicContact CD2-CG1 3.4Å; I194-V197 HydrophobicContact CG2-CG1 3.6Å; V197-I207 WeakPolarHBondContact CA-O 3.4Å
198D98.1Very high95.9Very high31 Ų3127 Ų2717%0.16614%0.136CC..EExtended strand (participates in β ladder)trans-145.8145170.9-16011.4000111.3S157 L206 I207 S239 W240S157-D198 PolarHBondContact OG-OD1 2.93Å; S157-D198 VanDerWaalsContact OG-OD1 3.13Å; D198-L206 WeakPolarHBondContact O-CA 3.24Å; D198-I207 HydrophobicContact CB-CD1 4.14Å; D198-I207 HydrophobicContact CB-CG1 3.83Å; D198-I207 PolarHBondContact N-O 3.3Å; D198-I207 PolarHBondContact O-N 3.44Å; D198-S239 WeakPolarHBondContact OD2-CA 3.39Å; D198-W240 PolarHBondContact OD2-N 3.22Å
199W97Very high96Very high11 Ų1120.4 Ų20.44%0.04211%0.111CC..EExtended strand (participates in β ladder)trans-124.2113.4-179.7-171.6-10.2000108.8S157 G159 M164 L166 T175 N204 L206S157-W199 PolarHBondContact OG-N 3Å; S157-W199 VanDerWaalsContact OG-N 3.12Å; G159-W199 VanDerWaalsContact CA-CD2 3.47Å; G159-W199 VanDerWaalsContact CA-CZ3 3.49Å; M164-W199 HydrophobicContact CB-CH2 3.88Å; M164-W199 HydrophobicContact CB-CZ3 3.82Å; M164-W199 HydrophobicContact SD-CH2 3.92Å; L166-W199 HydrophobicContact CB-CE3 3.72Å; L166-W199 HydrophobicContact CB-CZ3 4.32Å; L166-W199 HydrophobicContact CD2-CB 4.26Å; T175-W199 HydrophobicContact CG2-CZ3 4.34Å; W199-N204 WeakPolarHBondContact CZ2-OD1 3.47Å; W199-N204 PolarHBondContact NE1-OD1 3.16Å; W199-L206 HydrophobicContact CB-CD2 3.94Å; W199-L206 HydrophobicContact CD2-CD2 3.29Å; W199-L206 VanDerWaalsContact CE2-CD2 3.41Å; W199-L206 HydrophobicContact CE3-CD2 3.97Å; W199-L206 HydrophobicContact CG-CD2 3.27Å; W199-L206 HydrophobicContact CZ2-CD2 4.15Å
200N93.8Very high96Very high10 Ų1020.3 Ų20.35%0.05311%0.11CC..EExtended strand (participates in β ladder)trans-84.6124.4173.7-177.7-74.1000111I202 N203 N204 Q205 W240 S241 G244N200-I202 WeakPolarHBondContact OD1-CA 3.37Å; N200-I202 WeakPolarHBondContact OD1-CB 3.43Å; N200-I202 PolarHBondContact OD1-N 3.49Å; N200-N203 VanDerWaalsContact CB-OD1 3.32Å; N200-N203 WeakPolarHBondContact CB-OD1 3.27Å; N200-N203 PolarHBondContact O-OD1 3.01Å; N200-N203 PolarHBondContact OD1-N 3.22Å; N200-N203 PolarHBondContact OD1-OD1 3.29Å; N200-N204 WeakPolarHBondContact O-CA 3.1Å; N200-N204 PolarHBondContact O-N 2.83Å; N200-Q205 PolarHBondContact N-O 2.96Å; N200-W240 HydrophobicContact CB-CB 3.91Å; N200-W240 HydrophobicContact CB-CD2 3.7Å; N200-W240 HydrophobicContact CB-CE3 4.3Å; N200-W240 HydrophobicContact CB-CG 3.5Å; N200-W240 VanDerWaalsContact CB-CG 3.5Å; N200-S241 PolarHBondContact ND2-O 3.04Å; N200-G244 WeakPolarHBondContact ND2-CA 3.4Å; N200-G244 PolarHBondContact ND2-N 3.37Å
201V87Confident96Very high24 Ų2424.8 Ų24.815%0.14513%0.131CC..THydrogen-bonded Turntrans-77.1-22-176.6-66.90000114.4F119F119-V201 HydrophobicContact CD2-CG1 4.41Å; F119-V201 HydrophobicContact CE1-CG1 4.24Å; F119-V201 HydrophobicContact CE2-CG1 3.48Å; F119-V201 VanDerWaalsContact CE2-CG1 3.48Å; F119-V201 HydrophobicContact CZ-CG1 3.37Å; F119-V201 HydrophobicContact CZ-CG2 4.49Å
202I86.6Confident96Very high39 Ų3921.9 Ų21.920%0.212%0.115CC..THydrogen-bonded Turntrans-77-53.7-178-59-169.9000109.7N200 P242 C421N200-I202 WeakPolarHBondContact OD1-CA 3.37Å; N200-I202 WeakPolarHBondContact OD1-CB 3.43Å; N200-I202 PolarHBondContact OD1-N 3.49Å; I202-P242 WeakPolarHBondContact CD1-O 3.3Å; I202-C421 HydrophobicContact CG2-CB 3.74Å; I202-C421 VanDerWaalsContact CG2-SG 3.55Å
203N88.8Confident96.1Very high32 Ų3222.4 Ų22.417%0.17112%0.117CC..THydrogen-bonded Turntrans-88.6-10.7179.871.316000113.1N200 Q205 W240 G244N200-N203 VanDerWaalsContact CB-OD1 3.32Å; N200-N203 WeakPolarHBondContact CB-OD1 3.27Å; N200-N203 PolarHBondContact O-OD1 3.01Å; N200-N203 PolarHBondContact OD1-N 3.22Å; N200-N203 PolarHBondContact OD1-OD1 3.29Å; N203-Q205 VanDerWaalsContact C-N 3.27Å; N203-Q205 HydrophobicContact CB-CG 4.46Å; N203-Q205 PolarHBondContact O-N 3.21Å; N203-Q205 VanDerWaalsContact OD1-CB 3.31Å; N203-Q205 WeakPolarHBondContact OD1-CB 3.2Å; N203-Q205 PolarHBondContact OD1-N 2.92Å; N203-W240 WeakPolarHBondContact ND2-CH2 3.42Å; N203-W240 VanDerWaalsContact ND2-CZ3 3.32Å; N203-W240 WeakPolarHBondContact ND2-CZ3 3.29Å; N203-G244 PolarHBondContact ND2-O 3.45Å
204N90.5Very high96.1Very high44 Ų4423.6 Ų23.624%0.23512%0.12CC..THydrogen-bonded Turntrans56.536.1-177.5-163.840.8000114.1W199 N200 S220W199-N204 WeakPolarHBondContact CZ2-OD1 3.47Å; W199-N204 PolarHBondContact NE1-OD1 3.16Å; N200-N204 WeakPolarHBondContact O-CA 3.1Å; N200-N204 PolarHBondContact O-N 2.83Å; N204-S220 PolarHBondContact ND2-OG 2.66Å
205Q94.9Very high96.1Very high31 Ų3123.6 Ų23.615%0.14512%0.12CC..EExtended strand (participates in β ladder)trans-109149.9177.2-63.8179.6-15.900111.6N200 N203 W218 L225 W240 K260N200-Q205 PolarHBondContact N-O 2.96Å; N203-Q205 VanDerWaalsContact C-N 3.27Å; N203-Q205 HydrophobicContact CB-CG 4.46Å; N203-Q205 PolarHBondContact O-N 3.21Å; N203-Q205 VanDerWaalsContact OD1-CB 3.31Å; N203-Q205 WeakPolarHBondContact OD1-CB 3.2Å; N203-Q205 PolarHBondContact OD1-N 2.92Å; Q205-W218 WeakPolarHBondContact CA-O 3.05Å; Q205-L225 HydrophobicContact CG-CD1 4.23Å; Q205-W240 HydrophobicContact CB-CH2 4.28Å; Q205-W240 HydrophobicContact CB-CZ2 3.72Å; Q205-W240 PolarHBondContact O-NE1 3.01Å; Q205-K260 PolarHBondContact OE1-O 2.93Å
206L98Very high96.1Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-108.4143.6179-35178.5000108.9L166 T175 W187 D198 W199 V217 W218L166-L206 HydrophobicContact CD1-CD1 4.08Å; L166-L206 HydrophobicContact CD2-CB 4.01Å; L166-L206 HydrophobicContact CD2-CD1 4.35Å; L166-L206 HydrophobicContact CD2-CD2 4.17Å; L166-L206 HydrophobicContact CD2-CG 4.4Å; T175-L206 HydrophobicContact CG2-CD1 4.39Å; W187-L206 HydrophobicContact CH2-CD1 3.75Å; W187-L206 HydrophobicContact CZ2-CD1 4.09Å; D198-L206 WeakPolarHBondContact O-CA 3.24Å; W199-L206 HydrophobicContact CB-CD2 3.94Å; W199-L206 HydrophobicContact CD2-CD2 3.29Å; W199-L206 VanDerWaalsContact CE2-CD2 3.41Å; W199-L206 HydrophobicContact CE3-CD2 3.97Å; W199-L206 HydrophobicContact CG-CD2 3.27Å; W199-L206 HydrophobicContact CZ2-CD2 4.15Å; L206-V217 CarbonylContact O-C 3.5Å; L206-V217 WeakPolarHBondContact O-CA 3.35Å; L206-W218 HydrophobicContact CB-CB 4.1Å; L206-W218 HydrophobicContact CD1-CB 4.41Å; L206-W218 HydrophobicContact CG-CB 4.4Å; L206-W218 PolarHBondContact N-O 3.47Å; L206-W218 PolarHBondContact O-N 3.47Å
207I98.6Very high96.1Very high0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-126.9147.6168.861.2-172.2000110.6V197 D198 K216 V217 I238 W240 F247V197-I207 WeakPolarHBondContact CA-O 3.4Å; D198-I207 HydrophobicContact CB-CD1 4.14Å; D198-I207 HydrophobicContact CB-CG1 3.83Å; D198-I207 PolarHBondContact N-O 3.3Å; D198-I207 PolarHBondContact O-N 3.44Å; I207-K216 VanDerWaalsContact CA-O 3.28Å; I207-K216 WeakPolarHBondContact CA-O 3.33Å; I207-V217 HydrophobicContact CG2-CB 4.38Å; I207-V217 HydrophobicContact CG2-CG1 4.18Å; I207-V217 HydrophobicContact CG2-CG2 4.05Å; I207-I238 HydrophobicContact CB-CD1 3.73Å; I207-I238 HydrophobicContact CB-CG1 4.48Å; I207-I238 HydrophobicContact CD1-CB 4.47Å; I207-I238 HydrophobicContact CD1-CD1 3.7Å; I207-I238 HydrophobicContact CD1-CG1 3.53Å; I207-I238 HydrophobicContact CD1-CG2 4.36Å; I207-I238 HydrophobicContact CG1-CD1 3.8Å; I207-I238 HydrophobicContact CG1-CG1 4.01Å; I207-I238 HydrophobicContact CG1-CG2 4.11Å; I207-W240 VanDerWaalsContact CD1-CD1 3.42Å; I207-W240 HydrophobicContact CD1-CD2 3.95Å; I207-W240 HydrophobicContact CD1-CG 3.73Å; I207-W240 HydrophobicContact CG1-CG 4.43Å; I207-W240 VanDerWaalsContact CG2-CE2 3.49Å; I207-W240 HydrophobicContact CG2-CH2 4.25Å; I207-W240 HydrophobicContact CG2-CZ2 3.34Å; I207-F247 HydrophobicContact CD1-CB 3.73Å; I207-F247 HydrophobicContact CD1-CD2 3.98Å; I207-F247 HydrophobicContact CD1-CG 3.93Å; I207-F247 HydrophobicContact CG2-CD1 4.44Å; I207-F247 HydrophobicContact CG2-CE1 4.42Å
208S98.8Very high96Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-137.4143.2-179.555.70000111.2H190 Q196 Y215 K216 W218H190-S208 PolarHBondContact CD2-OG 2.88Å; H190-S208 PolarHBondContact NE2-OG 3.3Å; Q196-S208 WeakPolarHBondContact O-CA 3.49Å; S208-Y215 CarbonylContact O-C 3.55Å; S208-Y215 WeakPolarHBondContact O-CA 3.16Å; S208-Y215 WeakPolarHBondContact O-CB 3.48Å; S208-K216 PolarHBondContact N-O 2.64Å; S208-K216 PolarHBondContact O-N 2.88Å; S208-W218 PolarHBondContact OG-NE1 3.43Å
209A98.7Very high95.8Very high0 Ų021.9 Ų21.90%011%0.11CC..EExtended strand (participates in β ladder)trans-124.2138.2178.600000109.9I194 L195 Q196 V235 I238I194-A209 CarbonylContact C-O 3.57Å; I194-A209 WeakPolarHBondContact CA-O 3.19Å; I194-A209 WeakPolarHBondContact CG2-O 3.25Å; L195-A209 PolarHBondContact N-O 2.93Å; Q196-A209 HydrophobicContact CB-CB 4.37Å; Q196-A209 PolarHBondContact N-O 3.43Å; Q196-A209 PolarHBondContact O-N 2.95Å; A209-V235 CarbonylContact C-O 3.52Å; A209-V235 HydrophobicContact CB-CB 3.97Å; A209-V235 HydrophobicContact CB-CG1 3.48Å; A209-V235 VanDerWaalsContact CB-CG1 3.48Å; A209-I238 HydrophobicContact CB-CB 3.96Å; A209-I238 HydrophobicContact CB-CG2 3.87Å
210S98.7Very high95.5Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans-144.4159.9-168.6179.80000114.3H190 G192 V193 D212 C213 K214 V235H190-S210 WeakPolarHBondContact ND1-CB 3.33Å; G192-S210 VanDerWaalsContact C-OG 3.31Å; G192-S210 PolarHBondContact O-OG 3.46Å; V193-S210 VanDerWaalsContact O-CA 3.24Å; V193-S210 WeakPolarHBondContact O-CA 3.5Å; V193-S210 WeakPolarHBondContact O-CB 3.18Å; V193-S210 PolarHBondContact O-OG 3.49Å; S210-D212 VanDerWaalsContact CB-OD1 3.29Å; S210-D212 WeakPolarHBondContact CB-OD1 3.13Å; S210-D212 PolarHBondContact O-N 3.26Å; S210-D212 PolarHBondContact OG-N 3.31Å; S210-D212 PolarHBondContact OG-OD1 3.43Å; S210-C213 PolarHBondContact O-N 3.29Å; S210-K214 PolarHBondContact N-O 2.88Å; S210-V235 PolarHBondContact N-O 3.18Å; S210-V235 PolarHBondContact O-N 3.45Å; S210-V235 VanDerWaalsContact O-N 3.09Å
211E98.3Very high95.3Very high96 Ų9630.6 Ų30.645%0.44915%0.146SC..THydrogen-bonded Turntrans-62.5-13.9168.5-67.5-174159.800114.4V193 L195 C213V193-E211 HydrophobicContact CB-CG 4.25Å; V193-E211 WeakPolarHBondContact CG2-OE2 3.18Å; V193-E211 PolarHBondContact O-N 3.16Å; L195-E211 HydrophobicContact CD1-CG 3.79Å; L195-E211 HydrophobicContact CD2-CG 3.92Å; L195-E211 HydrophobicContact CG-CG 3.91Å; E211-C213 PolarHBondContact O-N 3.26Å; E211-C213 VanDerWaalsContact O-N 3.1Å
212D98.4Very high95.7Very high28 Ų2830.1 Ų30.115%0.1515%0.146CC..THydrogen-bonded Turntrans-74.512.6170.170.84.8000113.8H190 D191 S210 K214H190-D212 WeakPolarHBondContact CB-OD2 3.47Å; H190-D212 IonicContact CE1-OD1 3.79Å; H190-D212 IonicContact CG-OD2 2.66Å; H190-D212 VanDerWaalsContact ND1-CG 3.31Å; H190-D212 IonicContact ND1-OD1 2.67Å; H190-D212 PolarHBondContact ND1-OD1 3.26Å; H190-D212 IonicContact ND1-OD2 2.65Å; H190-D212 PolarHBondContact ND1-OD2 3.3Å; D191-D212 HydrophobicContact CB-CB 4.38Å; D191-D212 PolarHBondContact N-OD2 2.83Å; S210-D212 VanDerWaalsContact CB-OD1 3.29Å; S210-D212 WeakPolarHBondContact CB-OD1 3.13Å; S210-D212 PolarHBondContact O-N 3.26Å; S210-D212 PolarHBondContact OG-N 3.31Å; S210-D212 PolarHBondContact OG-OD1 3.43Å; D212-K214 PolarHBondContact O-N 3.33Å; D212-K214 WeakPolarHBondContact OD1-CB 3.09Å; D212-K214 PolarHBondContact OD1-N 2.95Å; D212-K214 VanDerWaalsContact OD1-N 3.12Å
213C98.5Very high96.1Very high24 Ų2436.2 Ų36.216%0.16217%0.167CC..SBendtrans6026-179-50.90000113.1S210 E211 P230 F231 Y233S210-C213 PolarHBondContact O-N 3.29Å; E211-C213 PolarHBondContact O-N 3.26Å; E211-C213 VanDerWaalsContact O-N 3.1Å; C213-P230 HydrophobicContact CB-CB 4.42Å; C213-P230 CarbonylContact O-C 3.6Å; C213-P230 WeakPolarHBondContact O-CA 3.41Å; C213-F231 HydrophobicContact CB-CB 4.29Å; C213-F231 WeakPolarHBondContact CB-O 3.49Å; C213-F231 WeakPolarHBondContact O-CD2 3.49Å; C213-F231 PolarHBondContact O-N 3.26Å; C213-Y233 WeakPolarHBondContact CB-O 3.37Å
214K98.6Very high96.5Very high52 Ų5238.5 Ų38.523%0.22618%0.179CC..  trans-124155.3177.9-63.7173.7-174.7173.90111.7H190 S210 D212 S228 P230H190-K214 PolarHBondContact CE1-O 3.3Å; S210-K214 PolarHBondContact N-O 2.88Å; D212-K214 PolarHBondContact O-N 3.33Å; D212-K214 WeakPolarHBondContact OD1-CB 3.09Å; D212-K214 PolarHBondContact OD1-N 2.95Å; D212-K214 VanDerWaalsContact OD1-N 3.12Å; K214-S228 WeakPolarHBondContact CA-OG 3.14Å; K214-P230 HydrophobicContact CG-CB 4.34Å
215Y98.6Very high96.6Very high0 Ų039.1 Ų39.10%018%0.182CC..EExtended strand (participates in β ladder)trans-112154.4156.468.3-91.8000110.5S208 Y226 S228 F231 I238 F247 V249 C258 G262 I264S208-Y215 CarbonylContact O-C 3.55Å; S208-Y215 WeakPolarHBondContact O-CA 3.16Å; S208-Y215 WeakPolarHBondContact O-CB 3.48Å; Y215-Y226 HydrophobicContact CE2-CD1 4.1Å; Y215-Y226 AromaticContact CE2-CE1 3.92Å; Y215-Y226 HydrophobicContact CE2-CE1 3.92Å; Y215-S228 VanDerWaalsContact CE1-CB 3.45Å; Y215-S228 PolarHBondContact N-OG 3.44Å; Y215-S228 VanDerWaalsContact N-OG 3.12Å; Y215-S228 PolarHBondContact O-N 3.25Å; Y215-S228 PolarHBondContact O-OG 3.01Å; Y215-F231 AromaticContact CD1-CE2 3.67Å; Y215-F231 HydrophobicContact CD1-CE2 3.67Å; Y215-F231 HydrophobicContact CD1-CZ 4.2Å; Y215-F231 AromaticContact CE1-CE2 3.51Å; Y215-F231 HydrophobicContact CE1-CE2 3.51Å; Y215-F231 AromaticContact CE1-CZ 3.72Å; Y215-F231 HydrophobicContact CE1-CZ 3.72Å; Y215-I238 HydrophobicContact CG-CD1 4.5Å; Y215-F247 AromaticContact CD2-CE2 3.75Å; Y215-F247 HydrophobicContact CD2-CE2 3.75Å; Y215-F247 AromaticContact CD2-CZ 3.91Å; Y215-F247 HydrophobicContact CD2-CZ 3.91Å; Y215-F247 AromaticContact CE2-CE2 3.78Å; Y215-F247 HydrophobicContact CE2-CE2 3.78Å; Y215-F247 AromaticContact CE2-CZ 3.67Å; Y215-F247 HydrophobicContact CE2-CZ 3.67Å; Y215-V249 HydrophobicContact CD1-CB 4.36Å; Y215-V249 HydrophobicContact CD1-CG1 3.76Å; Y215-V249 HydrophobicContact CD1-CG2 3.85Å; Y215-V249 HydrophobicContact CD2-CG2 4.33Å; Y215-V249 HydrophobicContact CE1-CG1 4.39Å; Y215-V249 HydrophobicContact CE1-CG2 4.08Å; Y215-V249 HydrophobicContact CG-CG1 4.29Å; Y215-V249 HydrophobicContact CG-CG2 3.97Å; Y215-C258 PolarHBondContact OH-SG 2.86Å; Y215-C258 VanDerWaalsContact OH-SG 3.4Å; Y215-G262 WeakPolarHBondContact CE2-O 3.46Å; Y215-G262 PolarHBondContact OH-O 3.49Å; Y215-I264 WeakPolarHBondContact OH-CG1 3.39Å
216K98.7Very high96.6Very high23 Ų2341.1 Ų41.110%0.119%0.189CC..EExtended strand (participates in β ladder)trans-137.2150.9179.1-67-178.2179.8-178.70110.9A189 I207 S208 W218 L224 Y226 S227A189-K216 WeakPolarHBondContact O-CD 3.2Å; A189-K216 PolarHBondContact O-NZ 3.47Å; I207-K216 VanDerWaalsContact CA-O 3.28Å; I207-K216 WeakPolarHBondContact CA-O 3.33Å; S208-K216 PolarHBondContact N-O 2.64Å; S208-K216 PolarHBondContact O-N 2.88Å; K216-W218 HydrophobicContact CB-CZ2 3.61Å; K216-W218 HydrophobicContact CD-CH2 3.85Å; K216-W218 HydrophobicContact CD-CZ2 3.37Å; K216-W218 HydrophobicContact CG-CZ2 4.11Å; K216-L224 HydrophobicContact CB-CD1 3.96Å; K216-L224 HydrophobicContact CD-CD1 3.98Å; K216-L224 HydrophobicContact CG-CD1 4.15Å; K216-Y226 CarbonylContact C-O 3.58Å; K216-Y226 VanDerWaalsContact CA-O 3.3Å; K216-Y226 WeakPolarHBondContact CA-O 3.41Å; K216-S227 WeakPolarHBondContact CE-OG 3.49Å
217V98.2Very high96.6Very high0 Ų043.3 Ų43.30%020%0.204CC..EExtended strand (participates in β ladder)trans-115.6135.5175.6-169.80000108.8L206 I207 L225 Y226 W240 F247L206-V217 CarbonylContact O-C 3.5Å; L206-V217 WeakPolarHBondContact O-CA 3.35Å; I207-V217 HydrophobicContact CG2-CB 4.38Å; I207-V217 HydrophobicContact CG2-CG1 4.18Å; I207-V217 HydrophobicContact CG2-CG2 4.05Å; V217-L225 HydrophobicContact CB-CB 4.44Å; V217-L225 HydrophobicContact CG1-CB 4.41Å; V217-L225 HydrophobicContact CG1-CD1 4.38Å; V217-L225 WeakPolarHBondContact O-CB 3.15Å; V217-L225 PolarHBondContact O-N 3.12Å; V217-Y226 HydrophobicContact CG2-CD1 4.49Å; V217-Y226 PolarHBondContact N-O 2.8Å; V217-Y226 PolarHBondContact O-N 2.92Å; V217-Y226 VanDerWaalsContact O-N 3.14Å; V217-W240 HydrophobicContact CG1-CZ2 4.38Å; V217-F247 HydrophobicContact CG2-CE1 3.89Å; V217-F247 HydrophobicContact CG2-CZ 3.78Å
218W98Very high96.5Very high11 Ų1143.6 Ų43.64%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-133.4156.4-175.5-41.581.8000110.8L173 W187 A189 Q205 L206 S208 K216 R223 L224L173-W218 HydrophobicContact CD1-CD2 4.41Å; L173-W218 HydrophobicContact CD1-CG 4.37Å; W187-W218 AromaticContact CD1-CZ3 3.88Å; W187-W218 HydrophobicContact CZ2-CD2 4.5Å; W187-W218 AromaticContact NE1-CD2 3.91Å; W187-W218 AromaticContact NE1-CE3 3.44Å; W187-W218 AromaticContact NE1-CH2 3.87Å; W187-W218 AromaticContact NE1-CZ3 3.42Å; A189-W218 HydrophobicContact CB-CH2 3.81Å; A189-W218 HydrophobicContact CB-CZ2 3.53Å; A189-W218 WeakPolarHBondContact O-CH2 3.37Å; A189-W218 WeakPolarHBondContact O-CZ2 3.45Å; Q205-W218 WeakPolarHBondContact CA-O 3.05Å; L206-W218 HydrophobicContact CB-CB 4.1Å; L206-W218 HydrophobicContact CD1-CB 4.41Å; L206-W218 HydrophobicContact CG-CB 4.4Å; L206-W218 PolarHBondContact N-O 3.47Å; L206-W218 PolarHBondContact O-N 3.47Å; S208-W218 PolarHBondContact OG-NE1 3.43Å; K216-W218 HydrophobicContact CB-CZ2 3.61Å; K216-W218 HydrophobicContact CD-CH2 3.85Å; K216-W218 HydrophobicContact CD-CZ2 3.37Å; K216-W218 HydrophobicContact CG-CZ2 4.11Å; W218-R223 VanDerWaalsContact CA-O 3.25Å; W218-R223 WeakPolarHBondContact CA-O 3.4Å; W218-L224 HydrophobicContact CD2-CD1 4.09Å; W218-L224 HydrophobicContact CE3-CB 3.88Å; W218-L224 HydrophobicContact CE3-CD1 3.9Å; W218-L224 HydrophobicContact CH2-CB 4.4Å; W218-L224 HydrophobicContact CH2-CD1 3.72Å; W218-L224 HydrophobicContact CZ2-CD1 3.95Å; W218-L224 HydrophobicContact CZ3-CB 3.65Å; W218-L224 HydrophobicContact CZ3-CD1 3.71Å; W218-L224 HydrophobicContact CZ3-CG 4.22Å
219D92.9Very high96.3Very high35 Ų3547.1 Ų47.119%0.18724%0.235CC..EExtended strand (participates in β ladder)trans-81.3169.5159.169.917.1000111.1Y221 G222 R223 L225D219-Y221 PolarHBondContact O-N 2.76Å; D219-Y221 VanDerWaalsContact O-N 3.09Å; D219-Y221 VanDerWaalsContact OD1-C 3.29Å; D219-Y221 WeakPolarHBondContact OD1-CA 3.48Å; D219-Y221 WeakPolarHBondContact OD1-CB 3.36Å; D219-Y221 PolarHBondContact OD1-N 3.42Å; D219-G222 PolarHBondContact O-N 3.31Å; D219-G222 VanDerWaalsContact O-N 3.12Å; D219-G222 PolarHBondContact OD1-N 3.03Å; D219-G222 VanDerWaalsContact OD1-N 3.08Å; D219-R223 PolarHBondContact N-O 2.88Å; D219-R223 WeakPolarHBondContact OD1-CB 3.32Å; D219-R223 PolarHBondContact OD1-N 2.72Å; D219-R223 VanDerWaalsContact OD2-CB 3.26Å; D219-R223 WeakPolarHBondContact OD2-CB 3.48Å; D219-L225 HydrophobicContact CB-CD1 4.28Å
220S90Very high96.2Very high22 Ų2251.4 Ų51.415%0.15426%0.263CS..THydrogen-bonded Turntrans-65.2-7.7177.463.60000114.4N204N204-S220 PolarHBondContact ND2-OG 2.66Å
221Y91.3Very high96.1Very high181 Ų18153.3 Ų53.371%0.7127%0.271SS*.THydrogen-bonded Turntrans-100.18.9177.1-56.6-77.1000112.2F185 D219 R223F185-Y221 WeakPolarHBondContact CE1-O 3.42Å; F185-Y221 WeakPolarHBondContact CZ-O 3.48Å; D219-Y221 PolarHBondContact O-N 2.76Å; D219-Y221 VanDerWaalsContact O-N 3.09Å; D219-Y221 VanDerWaalsContact OD1-C 3.29Å; D219-Y221 WeakPolarHBondContact OD1-CA 3.48Å; D219-Y221 WeakPolarHBondContact OD1-CB 3.36Å; D219-Y221 PolarHBondContact OD1-N 3.42Å; Y221-R223 VanDerWaalsContact C-N 3.31Å; Y221-R223 PolarHBondContact O-N 3.17Å
222G93.8Very high96Very high14 Ų1457 Ų5714%0.14429%0.288CS..SBendtrans77.911.7177.200000114.4D219D219-G222 PolarHBondContact O-N 3.31Å; D219-G222 VanDerWaalsContact O-N 3.12Å; D219-G222 PolarHBondContact OD1-N 3.03Å; D219-G222 VanDerWaalsContact OD1-N 3.08Å
223R95Very high95.9Very high167 Ų16760.8 Ų60.863%0.6330%0.301SS*.  trans-75.4129.8172.4-174.7-174.6171.4167.80.5109.5W218 D219 Y221 L225W218-R223 VanDerWaalsContact CA-O 3.25Å; W218-R223 WeakPolarHBondContact CA-O 3.4Å; D219-R223 PolarHBondContact N-O 2.88Å; D219-R223 WeakPolarHBondContact OD1-CB 3.32Å; D219-R223 PolarHBondContact OD1-N 2.72Å; D219-R223 VanDerWaalsContact OD2-CB 3.26Å; D219-R223 WeakPolarHBondContact OD2-CB 3.48Å; Y221-R223 VanDerWaalsContact C-N 3.31Å; Y221-R223 PolarHBondContact O-N 3.17Å; R223-L225 PolarHBondContact O-N 3.29Å
224L97.2Very high95.9Very high80 Ų8062 Ų6242%0.41931%0.309SS..EExtended strand (participates in β ladder)trans-67.9119.7172.3-175.363.3000110.1K216 W218 Y226K216-L224 HydrophobicContact CB-CD1 3.96Å; K216-L224 HydrophobicContact CD-CD1 3.98Å; K216-L224 HydrophobicContact CG-CD1 4.15Å; W218-L224 HydrophobicContact CD2-CD1 4.09Å; W218-L224 HydrophobicContact CE3-CB 3.88Å; W218-L224 HydrophobicContact CE3-CD1 3.9Å; W218-L224 HydrophobicContact CH2-CB 4.4Å; W218-L224 HydrophobicContact CH2-CD1 3.72Å; W218-L224 HydrophobicContact CZ2-CD1 3.95Å; W218-L224 HydrophobicContact CZ3-CB 3.65Å; W218-L224 HydrophobicContact CZ3-CD1 3.71Å; W218-L224 HydrophobicContact CZ3-CG 4.22Å; L224-Y226 WeakPolarHBondContact CD1-O 3.35Å
225L93.1Very high95.9Very high57 Ų5759.5 Ų59.530%0.29830%0.298SS..EExtended strand (participates in β ladder)trans-93.9-40173.4-58.5-178.8000110.8Q205 V217 D219 R223Q205-L225 HydrophobicContact CG-CD1 4.23Å; V217-L225 HydrophobicContact CB-CB 4.44Å; V217-L225 HydrophobicContact CG1-CB 4.41Å; V217-L225 HydrophobicContact CG1-CD1 4.38Å; V217-L225 WeakPolarHBondContact O-CB 3.15Å; V217-L225 PolarHBondContact O-N 3.12Å; D219-L225 HydrophobicContact CB-CD1 4.28Å; R223-L225 PolarHBondContact O-N 3.29Å
226Y95.4Very high95.9Very high74 Ų7460.6 Ų60.629%0.2931%0.305SS..EExtended strand (participates in β ladder)trans-151.7145.5-179.1-174.4-92000112.2Y215 K216 V217 L224 L261 G262Y215-Y226 HydrophobicContact CE2-CD1 4.1Å; Y215-Y226 AromaticContact CE2-CE1 3.92Å; Y215-Y226 HydrophobicContact CE2-CE1 3.92Å; K216-Y226 CarbonylContact C-O 3.58Å; K216-Y226 VanDerWaalsContact CA-O 3.3Å; K216-Y226 WeakPolarHBondContact CA-O 3.41Å; V217-Y226 HydrophobicContact CG2-CD1 4.49Å; V217-Y226 PolarHBondContact N-O 2.8Å; V217-Y226 PolarHBondContact O-N 2.92Å; V217-Y226 VanDerWaalsContact O-N 3.14Å; L224-Y226 WeakPolarHBondContact CD1-O 3.35Å; Y226-L261 VanDerWaalsContact CB-O 3.3Å; Y226-L261 WeakPolarHBondContact CB-O 3.49Å; Y226-G262 WeakPolarHBondContact CD1-O 3.38Å; Y226-G262 WeakPolarHBondContact CE1-O 3.44Å
227S97Very high95.9Very high46 Ų4659.5 Ų59.532%0.32230%0.3SS..EExtended strand (participates in β ladder)trans-132.6129169.4178.20000109.7K216K216-S227 WeakPolarHBondContact CE-OG 3.49Å
228S97.1Very high95.9Very high6 Ų659.5 Ų59.54%0.04230%0.3CS..PPolyproline II helixtrans-69.1160.7175.977.90000112K214 Y215K214-S228 WeakPolarHBondContact CA-OG 3.14Å; Y215-S228 VanDerWaalsContact CE1-CB 3.45Å; Y215-S228 PolarHBondContact N-OG 3.44Å; Y215-S228 VanDerWaalsContact N-OG 3.12Å; Y215-S228 PolarHBondContact O-N 3.25Å; Y215-S228 PolarHBondContact O-OG 3.01Å
229A96Very high95.9Very high74 Ų7459.5 Ų59.561%0.61230%0.302SS*.PPolyproline II helixtrans-63.2153.3157.100000109.8F231A229-F231 PolarHBondContact O-N 2.83Å
230P96.2Very high96.1Very high89 Ų8958.3 Ų58.358%0.57830%0.295SS*.PPolyproline II helixtrans-66.4130.9175.728.3-32.7000110.6C213 K214C213-P230 HydrophobicContact CB-CB 4.42Å; C213-P230 CarbonylContact O-C 3.6Å; C213-P230 WeakPolarHBondContact O-CA 3.41Å; K214-P230 HydrophobicContact CG-CB 4.34Å
231F95.3Very high96.4Very high40 Ų4057.3 Ų57.318%0.17529%0.287CS..PPolyproline II helixtrans-75.2167.4169.6-73.7-101.4000110.5C213 Y215 A229 Y233 V235 V256 I264 L267C213-F231 HydrophobicContact CB-CB 4.29Å; C213-F231 WeakPolarHBondContact CB-O 3.49Å; C213-F231 WeakPolarHBondContact O-CD2 3.49Å; C213-F231 PolarHBondContact O-N 3.26Å; Y215-F231 AromaticContact CD1-CE2 3.67Å; Y215-F231 HydrophobicContact CD1-CE2 3.67Å; Y215-F231 HydrophobicContact CD1-CZ 4.2Å; Y215-F231 AromaticContact CE1-CE2 3.51Å; Y215-F231 HydrophobicContact CE1-CE2 3.51Å; Y215-F231 AromaticContact CE1-CZ 3.72Å; Y215-F231 HydrophobicContact CE1-CZ 3.72Å; A229-F231 PolarHBondContact O-N 2.83Å; F231-Y233 PolarHBondContact O-N 3.26Å; F231-V235 HydrophobicContact CD2-CG2 4.11Å; F231-V256 HydrophobicContact CE1-CG2 3.79Å; F231-V256 HydrophobicContact CZ-CG2 4.16Å; F231-I264 HydrophobicContact CZ-CD1 4.27Å; F231-L267 HydrophobicContact CE1-CD1 4.45Å
232E96.2Very high96.3Very high174 Ų17451.2 Ų51.281%0.81327%0.27SS*.SBendtrans-65.3-29.7175.1-64.9-169.4164.700112.6
233Y97.8Very high95.9Very high107 Ų10752 Ų5242%0.4227%0.271SS..SBendtrans-129.7160.3-176.5-61.7-85.6000111.4C213 F231 S251 Y252C213-Y233 WeakPolarHBondContact CB-O 3.37Å; F231-Y233 PolarHBondContact O-N 3.26Å; Y233-S251 PolarHBondContact O-OG 3.46Å; Y233-Y252 HydrophobicContact CD1-CD1 4.48Å; Y233-Y252 HydrophobicContact CD1-CG 4.21Å; Y233-Y252 HydrophobicContact CD2-CD1 4.1Å; Y233-Y252 HydrophobicContact CD2-CG 4.26Å; Y233-Y252 HydrophobicContact CE1-CD1 4.31Å; Y233-Y252 HydrophobicContact CE1-CG 4.41Å; Y233-Y252 AromaticContact CE2-CD1 3.93Å; Y233-Y252 HydrophobicContact CE2-CD1 3.93Å; Y233-Y252 HydrophobicContact CE2-CG 4.48Å; Y233-Y252 VanDerWaalsContact CG-CB 3.43Å; Y233-Y252 HydrophobicContact CG-CD1 4.39Å; Y233-Y252 HydrophobicContact CG-CG 4.13Å
234P98.2Very high95.8Very high49 Ų4944 Ų4432%0.31824%0.241SC..  trans-48.3142.2172.3-34.140.1000112.9T236 S251P234-T236 HydrophobicContact CB-CG2 4.32Å; P234-T236 PolarHBondContact O-N 3Å; P234-S251 WeakPolarHBondContact O-CB 3.38Å; P234-S251 PolarHBondContact O-OG 2.93Å
235V98.5Very high95.5Very high0 Ų043.2 Ų43.20%024%0.235CC..  trans-86.7106.9170.3-1740000107A209 S210 F231 V249 G250A209-V235 CarbonylContact C-O 3.52Å; A209-V235 HydrophobicContact CB-CB 3.97Å; A209-V235 HydrophobicContact CB-CG1 3.48Å; A209-V235 VanDerWaalsContact CB-CG1 3.48Å; S210-V235 PolarHBondContact N-O 3.18Å; S210-V235 PolarHBondContact O-N 3.45Å; S210-V235 VanDerWaalsContact O-N 3.09Å; F231-V235 HydrophobicContact CD2-CG2 4.11Å; V235-V249 HydrophobicContact CG1-CG1 3.27Å; V235-V249 HydrophobicContact CG2-CG1 4.43Å; V235-G250 WeakPolarHBondContact CG1-O 3.46Å
236T98.3Very high95.6Very high23 Ų2340.8 Ų40.814%0.14122%0.222CC..  trans-94.1-22.8-171.246.60000113.2L195 P234 G250 S274 I275L195-T236 HydrophobicContact CD1-CG2 3.99Å; P234-T236 HydrophobicContact CB-CG2 4.32Å; P234-T236 PolarHBondContact O-N 3Å; T236-G250 PolarHBondContact N-O 3.31Å; T236-G250 PolarHBondContact OG1-O 3.03Å; T236-S274 WeakPolarHBondContact CG2-OG 3.44Å; T236-S274 PolarHBondContact OG1-OG 3.31Å; T236-I275 PolarHBondContact OG1-O 3.33Å
237S98.4Very high95.8Very high0 Ų037.2 Ų37.20%021%0.208CC..EExtended strand (participates in β ladder)trans-145.6153.6178.959.90000113.8G250 I275 I278S237-G250 PolarHBondContact N-O 2.69Å; S237-G250 PolarHBondContact O-N 3.48Å; S237-G250 WeakPolarHBondContact OG-CA 3.36Å; S237-I275 WeakPolarHBondContact CB-O 3.1Å; S237-I275 WeakPolarHBondContact OG-CG2 3.38Å; S237-I275 PolarHBondContact OG-O 2.99Å; S237-I278 WeakPolarHBondContact OG-CG1 3.46Å
238I98.5Very high95.8Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-157.8141.9180-159169.9000110.7Q196 I207 A209 Y215 F247 A248 V249Q196-I238 HydrophobicContact CB-CG2 4.19Å; Q196-I238 HydrophobicContact CG-CG2 4.12Å; Q196-I238 PolarHBondContact NE2-O 3.13Å; I207-I238 HydrophobicContact CB-CD1 3.73Å; I207-I238 HydrophobicContact CB-CG1 4.48Å; I207-I238 HydrophobicContact CD1-CB 4.47Å; I207-I238 HydrophobicContact CD1-CD1 3.7Å; I207-I238 HydrophobicContact CD1-CG1 3.53Å; I207-I238 HydrophobicContact CD1-CG2 4.36Å; I207-I238 HydrophobicContact CG1-CD1 3.8Å; I207-I238 HydrophobicContact CG1-CG1 4.01Å; I207-I238 HydrophobicContact CG1-CG2 4.11Å; A209-I238 HydrophobicContact CB-CB 3.96Å; A209-I238 HydrophobicContact CB-CG2 3.87Å; Y215-I238 HydrophobicContact CG-CD1 4.5Å; I238-F247 HydrophobicContact CD1-CD2 3.99Å; I238-F247 HydrophobicContact CD1-CE2 4.04Å; I238-F247 HydrophobicContact CG1-CD2 4.09Å; I238-A248 CarbonylContact C-O 3.54Å; I238-A248 VanDerWaalsContact CA-O 3.3Å; I238-A248 WeakPolarHBondContact CA-O 3.42Å; I238-A248 WeakPolarHBondContact CG1-O 3.11Å; I238-V249 HydrophobicContact CD1-CG2 3.96Å; I238-V249 HydrophobicContact CG1-CG2 4.01Å
239S98.3Very high95.9Very high12 Ų1234.9 Ų34.98%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-153137177.3-175.40000112.2D198 F247 A248 I278 W280D198-S239 WeakPolarHBondContact OD2-CA 3.39Å; S239-F247 CarbonylContact O-C 3.53Å; S239-F247 VanDerWaalsContact O-CA 3.27Å; S239-F247 WeakPolarHBondContact O-CA 3.36Å; S239-F247 VanDerWaalsContact O-CB 3.3Å; S239-F247 WeakPolarHBondContact O-CB 3.25Å; S239-A248 PolarHBondContact N-O 3.29Å; S239-A248 PolarHBondContact O-N 3.16Å; S239-I278 WeakPolarHBondContact CB-O 3.43Å; S239-W280 PolarHBondContact O-NE1 3.26Å
240W97.8Very high96Very high10 Ų1031.3 Ų31.34%0.03816%0.162CC..EExtended strand (participates in β ladder)trans-73.7141.2171.6-80.6112.3000111.8D198 N200 N203 Q205 I207 V217 L246 F247 K260D198-W240 PolarHBondContact OD2-N 3.22Å; N200-W240 HydrophobicContact CB-CB 3.91Å; N200-W240 HydrophobicContact CB-CD2 3.7Å; N200-W240 HydrophobicContact CB-CE3 4.3Å; N200-W240 HydrophobicContact CB-CG 3.5Å; N200-W240 VanDerWaalsContact CB-CG 3.5Å; N203-W240 WeakPolarHBondContact ND2-CH2 3.42Å; N203-W240 VanDerWaalsContact ND2-CZ3 3.32Å; N203-W240 WeakPolarHBondContact ND2-CZ3 3.29Å; Q205-W240 HydrophobicContact CB-CH2 4.28Å; Q205-W240 HydrophobicContact CB-CZ2 3.72Å; Q205-W240 PolarHBondContact O-NE1 3.01Å; I207-W240 VanDerWaalsContact CD1-CD1 3.42Å; I207-W240 HydrophobicContact CD1-CD2 3.95Å; I207-W240 HydrophobicContact CD1-CG 3.73Å; I207-W240 HydrophobicContact CG1-CG 4.43Å; I207-W240 VanDerWaalsContact CG2-CE2 3.49Å; I207-W240 HydrophobicContact CG2-CH2 4.25Å; I207-W240 HydrophobicContact CG2-CZ2 3.34Å; V217-W240 HydrophobicContact CG1-CZ2 4.38Å; W240-L246 VanDerWaalsContact CE3-O 3.28Å; W240-F247 HydrophobicContact CD2-CB 4.01Å; W240-F247 HydrophobicContact CE3-CB 3.77Å; W240-F247 HydrophobicContact CE3-CD1 4.11Å; W240-F247 HydrophobicContact CE3-CG 4.39Å; W240-F247 HydrophobicContact CG-CB 4.43Å; W240-F247 AromaticContact CH2-CD1 3.78Å; W240-F247 HydrophobicContact CH2-CD1 3.78Å; W240-F247 HydrophobicContact CH2-CE1 4.28Å; W240-F247 HydrophobicContact CZ2-CD1 4.36Å; W240-F247 HydrophobicContact CZ3-CB 4.2Å; W240-F247 AromaticContact CZ3-CD1 3.66Å; W240-F247 HydrophobicContact CZ3-CD1 3.66Å; W240-F247 HydrophobicContact CZ3-CG 4.38Å; W240-K260 HydrophobicContact CH2-CB 3.99Å; W240-K260 HydrophobicContact CZ3-CB 3.82Å
241S94.5Very high96.1Very high0 Ų027.2 Ų27.20%014%0.136CC..  trans-64.7149.7162.362.10000110.3N200 D243 G244 L246N200-S241 PolarHBondContact ND2-O 3.04Å; S241-D243 VanDerWaalsContact C-N 3.27Å; S241-D243 PolarHBondContact O-N 3.49Å; S241-D243 PolarHBondContact OG-OD1 3.41Å; S241-D243 VanDerWaalsContact OG-OD1 3.13Å; S241-G244 PolarHBondContact O-N 2.96Å; S241-L246 VanDerWaalsContact CB-O 3.27Å; S241-L246 WeakPolarHBondContact CB-O 3.01Å; S241-L246 PolarHBondContact N-O 3.3Å; S241-L246 WeakPolarHBondContact OG-CA 3.46Å; S241-L246 PolarHBondContact OG-N 3.01Å; S241-L246 PolarHBondContact OG-O 3.02Å
242P88.9Confident96.1Very high54 Ų5430.8 Ų30.835%0.35115%0.149SC..THydrogen-bonded Turntrans-57-38.6-176.6-26.934.8000113.4I202 G244 W280I202-P242 WeakPolarHBondContact CD1-O 3.3Å; P242-G244 PolarHBondContact O-N 3.36Å; P242-W280 HydrophobicContact CG-CB 4.46Å
243D87.4Confident96Very high30 Ų3023.6 Ų23.616%0.1612%0.12CC..THydrogen-bonded Turntrans-77.2-5.9-179.465.921.9000114.4S241 Q245 K342S241-D243 VanDerWaalsContact C-N 3.27Å; S241-D243 PolarHBondContact O-N 3.49Å; S241-D243 PolarHBondContact OG-OD1 3.41Å; S241-D243 VanDerWaalsContact OG-OD1 3.13Å; D243-Q245 PolarHBondContact O-N 3.38Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.49Å; D243-Q245 PolarHBondContact OD1-N 3.02Å; D243-K342 IonicContact OD2-NZ 2.69Å; D243-K342 PolarHBondContact OD2-NZ 3.4Å; D243-K342 VanDerWaalsContact OD2-NZ 3.11Å
244G91.3Very high95.9Very high0 Ų019.7 Ų19.70%011%0.107CC..SBendtrans68.914.2178.600000114.7N200 N203 S241 P242 K260N200-G244 WeakPolarHBondContact ND2-CA 3.4Å; N200-G244 PolarHBondContact ND2-N 3.37Å; N203-G244 PolarHBondContact ND2-O 3.45Å; S241-G244 PolarHBondContact O-N 2.96Å; P242-G244 PolarHBondContact O-N 3.36Å; G244-K260 WeakPolarHBondContact O-CB 3.37Å
245Q92Very high95.8Very high62 Ų6217.3 Ų17.329%0.299%0.091SC..SBendtrans-88.2-28.1176.6-60.2-54.1-49.900112.7D243 K260D243-Q245 PolarHBondContact O-N 3.38Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.49Å; D243-Q245 PolarHBondContact OD1-N 3.02Å; Q245-K260 WeakPolarHBondContact O-CB 3.35Å; Q245-K260 PolarHBondContact O-N 3.39Å
246L95.6Very high95.7Very high6 Ų617.4 Ų17.43%0.0319%0.092CC..EExtended strand (participates in β ladder)trans-128.6158.4-177-57.8171.5000110.8M1 W240 S241 L257 C258 W280 V301M1-L246 HydrophobicContact CE-CD2 3.86Å; M1-L246 HydrophobicContact SD-CD1 4.36Å; W240-L246 VanDerWaalsContact CE3-O 3.28Å; S241-L246 VanDerWaalsContact CB-O 3.27Å; S241-L246 WeakPolarHBondContact CB-O 3.01Å; S241-L246 PolarHBondContact N-O 3.3Å; S241-L246 WeakPolarHBondContact OG-CA 3.46Å; S241-L246 PolarHBondContact OG-N 3.01Å; S241-L246 PolarHBondContact OG-O 3.02Å; L246-L257 HydrophobicContact CB-CD1 4.25Å; L246-L257 HydrophobicContact CD1-CD1 4.29Å; L246-C258 CarbonylContact C-O 3.5Å; L246-C258 VanDerWaalsContact CA-O 3.27Å; L246-C258 WeakPolarHBondContact CA-O 3.42Å; L246-W280 HydrophobicContact CB-CH2 3.85Å; L246-W280 HydrophobicContact CB-CZ2 4.12Å; L246-W280 HydrophobicContact CD1-CH2 4.19Å; L246-V301 HydrophobicContact CD1-CG1 4.3Å
247F98.1Very high95.7Very high0 Ų016.3 Ų16.30%09%0.085CC..EExtended strand (participates in β ladder)trans-141.1157.8161.764.3-89.9000110.1I207 Y215 V217 I238 S239 W240 V249 C258 D259I207-F247 HydrophobicContact CD1-CB 3.73Å; I207-F247 HydrophobicContact CD1-CD2 3.98Å; I207-F247 HydrophobicContact CD1-CG 3.93Å; I207-F247 HydrophobicContact CG2-CD1 4.44Å; I207-F247 HydrophobicContact CG2-CE1 4.42Å; Y215-F247 AromaticContact CD2-CE2 3.75Å; Y215-F247 HydrophobicContact CD2-CE2 3.75Å; Y215-F247 AromaticContact CD2-CZ 3.91Å; Y215-F247 HydrophobicContact CD2-CZ 3.91Å; Y215-F247 AromaticContact CE2-CE2 3.78Å; Y215-F247 HydrophobicContact CE2-CE2 3.78Å; Y215-F247 AromaticContact CE2-CZ 3.67Å; Y215-F247 HydrophobicContact CE2-CZ 3.67Å; V217-F247 HydrophobicContact CG2-CE1 3.89Å; V217-F247 HydrophobicContact CG2-CZ 3.78Å; I238-F247 HydrophobicContact CD1-CD2 3.99Å; I238-F247 HydrophobicContact CD1-CE2 4.04Å; I238-F247 HydrophobicContact CG1-CD2 4.09Å; S239-F247 CarbonylContact O-C 3.53Å; S239-F247 VanDerWaalsContact O-CA 3.27Å; S239-F247 WeakPolarHBondContact O-CA 3.36Å; S239-F247 VanDerWaalsContact O-CB 3.3Å; S239-F247 WeakPolarHBondContact O-CB 3.25Å; W240-F247 HydrophobicContact CD2-CB 4.01Å; W240-F247 HydrophobicContact CE3-CB 3.77Å; W240-F247 HydrophobicContact CE3-CD1 4.11Å; W240-F247 HydrophobicContact CE3-CG 4.39Å; W240-F247 HydrophobicContact CG-CB 4.43Å; W240-F247 AromaticContact CH2-CD1 3.78Å; W240-F247 HydrophobicContact CH2-CD1 3.78Å; W240-F247 HydrophobicContact CH2-CE1 4.28Å; W240-F247 HydrophobicContact CZ2-CD1 4.36Å; W240-F247 HydrophobicContact CZ3-CB 4.2Å; W240-F247 AromaticContact CZ3-CD1 3.66Å; W240-F247 HydrophobicContact CZ3-CD1 3.66Å; W240-F247 HydrophobicContact CZ3-CG 4.38Å; F247-V249 HydrophobicContact CD2-CG2 3.67Å; F247-V249 HydrophobicContact CE2-CG2 3.47Å; F247-V249 VanDerWaalsContact CE2-CG2 3.47Å; F247-C258 HydrophobicContact CD1-CB 4.01Å; F247-C258 HydrophobicContact CD2-CB 3.83Å; F247-C258 HydrophobicContact CE1-CB 3.69Å; F247-C258 HydrophobicContact CE2-CB 3.47Å; F247-C258 VanDerWaalsContact CE2-CB 3.47Å; F247-C258 HydrophobicContact CG-CB 4.09Å; F247-C258 HydrophobicContact CZ-CB 3.39Å; F247-C258 PolarHBondContact N-O 3.36Å; F247-C258 PolarHBondContact O-N 3.45Å; F247-D259 WeakPolarHBondContact CE1-O 3.36Å
248A98.4Very high95.6Very high0 Ų016.3 Ų16.30%09%0.085CC..EExtended strand (participates in β ladder)trans-113.214217900000109.4I238 S239 V256 I278 W280 I287I238-A248 CarbonylContact C-O 3.54Å; I238-A248 VanDerWaalsContact CA-O 3.3Å; I238-A248 WeakPolarHBondContact CA-O 3.42Å; I238-A248 WeakPolarHBondContact CG1-O 3.11Å; S239-A248 PolarHBondContact N-O 3.29Å; S239-A248 PolarHBondContact O-N 3.16Å; A248-V256 CarbonylContact C-O 3.59Å; A248-V256 VanDerWaalsContact CA-O 3.31Å; A248-V256 WeakPolarHBondContact CA-O 3.46Å; A248-I278 HydrophobicContact CB-CD1 4.36Å; A248-I278 HydrophobicContact CB-CG2 3.86Å; A248-W280 HydrophobicContact CB-CZ2 3.83Å; A248-I287 HydrophobicContact CB-CD1 4.08Å; A248-I287 HydrophobicContact CB-CG2 4.13Å
249V98.7Very high95.4Very high2 Ų216.5 Ų16.51%0.0129%0.086CC..EExtended strand (participates in β ladder)trans-123.7131-177.8-176.80000108.7Y215 V235 I238 F247 V255 V256Y215-V249 HydrophobicContact CD1-CB 4.36Å; Y215-V249 HydrophobicContact CD1-CG1 3.76Å; Y215-V249 HydrophobicContact CD1-CG2 3.85Å; Y215-V249 HydrophobicContact CD2-CG2 4.33Å; Y215-V249 HydrophobicContact CE1-CG1 4.39Å; Y215-V249 HydrophobicContact CE1-CG2 4.08Å; Y215-V249 HydrophobicContact CG-CG1 4.29Å; Y215-V249 HydrophobicContact CG-CG2 3.97Å; V235-V249 HydrophobicContact CG1-CG1 3.27Å; V235-V249 HydrophobicContact CG2-CG1 4.43Å; I238-V249 HydrophobicContact CD1-CG2 3.96Å; I238-V249 HydrophobicContact CG1-CG2 4.01Å; F247-V249 HydrophobicContact CD2-CG2 3.67Å; F247-V249 HydrophobicContact CE2-CG2 3.47Å; F247-V249 VanDerWaalsContact CE2-CG2 3.47Å; V249-V255 CarbonylContact O-C 3.48Å; V249-V255 WeakPolarHBondContact O-CA 3.3Å; V249-V256 HydrophobicContact CB-CB 4.18Å; V249-V256 PolarHBondContact N-O 3.11Å; V249-V256 PolarHBondContact O-N 3.37Å
250G97.8Very high95.2Very high0 Ų017 Ų170%09%0.087CC..EExtended strand (participates in β ladder)trans-116.1133.4179.600000111.7V235 T236 S237 I278V235-G250 WeakPolarHBondContact CG1-O 3.46Å; T236-G250 PolarHBondContact N-O 3.31Å; T236-G250 PolarHBondContact OG1-O 3.03Å; S237-G250 PolarHBondContact N-O 2.69Å; S237-G250 PolarHBondContact O-N 3.48Å; S237-G250 WeakPolarHBondContact OG-CA 3.36Å; G250-I278 VanDerWaalsContact N-CD1 3.3Å
251S97.5Very high94.9Very high3 Ų318.6 Ų18.62%0.02110%0.096CC..EExtended strand (participates in β ladder)trans-134.3-164.6172-175.10000109.5Y233 P234 A253 T254 I275Y233-S251 PolarHBondContact O-OG 3.46Å; P234-S251 WeakPolarHBondContact O-CB 3.38Å; P234-S251 PolarHBondContact O-OG 2.93Å; S251-A253 PolarHBondContact O-N 2.82Å; S251-T254 WeakPolarHBondContact CB-OG1 3.29Å; S251-T254 PolarHBondContact N-O 2.73Å; S251-I275 WeakPolarHBondContact O-CG1 3.45Å; S251-I275 PolarHBondContact O-N 2.91Å; S251-I275 VanDerWaalsContact O-N 3.08Å
252Y96.9Very high94.8Very high114 Ų11418.6 Ų18.645%0.44710%0.096SC..EExtended strand (participates in β ladder)trans-62.9118.8174.5-172.8-94.6000110.1Y233 T254Y233-Y252 HydrophobicContact CD1-CD1 4.48Å; Y233-Y252 HydrophobicContact CD1-CG 4.21Å; Y233-Y252 HydrophobicContact CD2-CD1 4.1Å; Y233-Y252 HydrophobicContact CD2-CG 4.26Å; Y233-Y252 HydrophobicContact CE1-CD1 4.31Å; Y233-Y252 HydrophobicContact CE1-CG 4.41Å; Y233-Y252 AromaticContact CE2-CD1 3.93Å; Y233-Y252 HydrophobicContact CE2-CD1 3.93Å; Y233-Y252 HydrophobicContact CE2-CG 4.48Å; Y233-Y252 VanDerWaalsContact CG-CB 3.43Å; Y233-Y252 HydrophobicContact CG-CD1 4.39Å; Y233-Y252 HydrophobicContact CG-CG 4.13Å; Y252-T254 PolarHBondContact O-N 3.39Å; Y252-T254 PolarHBondContact O-OG1 3.25Å; Y252-T254 VanDerWaalsContact O-OG1 3.06Å
253A93.2Very high94.9Very high24 Ų2417.7 Ų17.720%0.1989%0.085CC..EExtended strand (participates in β ladder)trans53.526.2174.600000113.7S251 E269 T270 G273S251-A253 PolarHBondContact O-N 2.82Å; A253-E269 CarbonylContact O-C 3.23Å; A253-E269 WeakPolarHBondContact O-CA 3.31Å; A253-T270 CarbonylContact C-O 3.59Å; A253-T270 WeakPolarHBondContact CA-O 3.5Å; A253-T270 WeakPolarHBondContact CA-OG1 3.38Å; A253-T270 WeakPolarHBondContact CB-O 3.35Å; A253-T270 PolarHBondContact O-N 3.29Å; A253-T270 PolarHBondContact O-OG1 3.26Å; A253-G273 WeakPolarHBondContact CA-O 3.23Å; A253-G273 PolarHBondContact N-O 2.87Å
254T95.5Very high95.3Very high24 Ų2419.8 Ų19.815%0.14710%0.096CC..EExtended strand (participates in β ladder)trans-146.7138.5-176.247.70000111.4S251 Y252 L267 E268 E269 T270S251-T254 WeakPolarHBondContact CB-OG1 3.29Å; S251-T254 PolarHBondContact N-O 2.73Å; Y252-T254 PolarHBondContact O-N 3.39Å; Y252-T254 PolarHBondContact O-OG1 3.25Å; Y252-T254 VanDerWaalsContact O-OG1 3.06Å; T254-L267 HydrophobicContact CG2-CD2 4.4Å; T254-E268 WeakPolarHBondContact CA-O 3.23Å; T254-E269 HydrophobicContact CG2-CG 4.4Å; T254-T270 PolarHBondContact N-OG1 3.23Å; T254-T270 VanDerWaalsContact N-OG1 3.17Å
255V96.3Very high95.3Very high0 Ų021.7 Ų21.70%011%0.105CC..EExtended strand (participates in β ladder)trans-126.2130.3169.9-179.70000108.8I3 V249 E268 T270 I275 I278 I287 I297I3-V255 HydrophobicContact CD1-CG1 4.42Å; V249-V255 CarbonylContact O-C 3.48Å; V249-V255 WeakPolarHBondContact O-CA 3.3Å; V255-E268 PolarHBondContact N-O 3.15Å; V255-E268 PolarHBondContact O-N 3.18Å; V255-T270 HydrophobicContact CB-CG2 4.37Å; V255-T270 HydrophobicContact CG2-CG2 3.9Å; V255-I275 HydrophobicContact CG2-CD1 4.05Å; V255-I275 HydrophobicContact CG2-CG1 3.86Å; V255-I278 HydrophobicContact CG1-CD1 4.45Å; V255-I287 HydrophobicContact CG1-CD1 3.48Å; V255-I287 VanDerWaalsContact CG1-CD1 3.48Å; V255-I297 HydrophobicContact CG2-CD1 4.2Å
256V96.9Very high95.4Very high2 Ų219.6 Ų19.61%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-118131.9-177.1-172.10000109F231 A248 V249 I264 A266 L267F231-V256 HydrophobicContact CE1-CG2 3.79Å; F231-V256 HydrophobicContact CZ-CG2 4.16Å; A248-V256 CarbonylContact C-O 3.59Å; A248-V256 VanDerWaalsContact CA-O 3.31Å; A248-V256 WeakPolarHBondContact CA-O 3.46Å; V249-V256 HydrophobicContact CB-CB 4.18Å; V249-V256 PolarHBondContact N-O 3.11Å; V249-V256 PolarHBondContact O-N 3.37Å; V256-I264 HydrophobicContact CG1-CB 4.15Å; V256-I264 HydrophobicContact CG1-CD1 3.91Å; V256-I264 HydrophobicContact CG1-CG1 3.74Å; V256-I264 HydrophobicContact CG1-CG2 3.46Å; V256-I264 VanDerWaalsContact CG1-CG2 3.46Å; V256-A266 WeakPolarHBondContact CA-O 3.39Å; V256-A266 WeakPolarHBondContact CG1-O 3.46Å; V256-L267 HydrophobicContact CG2-CB 4.35Å; V256-L267 HydrophobicContact CG2-CD1 4.12Å; V256-L267 HydrophobicContact CG2-CG 4.1Å
257L97.2Very high95.3Very high0 Ų023.4 Ų23.40%012%0.118CC..EExtended strand (participates in β ladder)trans-95.6123.8171.1179.765000109I3 L246 H265 A266 W280 V301I3-L257 HydrophobicContact CB-CB 4.3Å; I3-L257 HydrophobicContact CB-CD2 4.49Å; I3-L257 HydrophobicContact CG2-CB 4.5Å; L246-L257 HydrophobicContact CB-CD1 4.25Å; L246-L257 HydrophobicContact CD1-CD1 4.29Å; L257-H265 HydrophobicContact CB-CB 4.41Å; L257-H265 HydrophobicContact CD2-CB 4.19Å; L257-H265 HydrophobicContact CG-CB 4.16Å; L257-H265 WeakPolarHBondContact O-CB 3.25Å; L257-H265 PolarHBondContact O-N 3.37Å; L257-A266 PolarHBondContact N-O 3.47Å; L257-A266 PolarHBondContact O-N 2.8Å; L257-W280 HydrophobicContact CD1-CH2 3.56Å; L257-W280 HydrophobicContact CD1-CZ2 3.92Å; L257-V301 HydrophobicContact CD1-CG2 4.35Å; L257-V301 HydrophobicContact CD2-CG1 4.03Å; L257-V301 HydrophobicContact CD2-CG2 4.27Å
258C96.5Very high95.1Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-120.8150.8-177.6-59.80000111.8Y215 L246 F247 W263Y215-C258 PolarHBondContact OH-SG 2.86Å; Y215-C258 VanDerWaalsContact OH-SG 3.4Å; L246-C258 CarbonylContact C-O 3.5Å; L246-C258 VanDerWaalsContact CA-O 3.27Å; L246-C258 WeakPolarHBondContact CA-O 3.42Å; F247-C258 HydrophobicContact CD1-CB 4.01Å; F247-C258 HydrophobicContact CD2-CB 3.83Å; F247-C258 HydrophobicContact CE1-CB 3.69Å; F247-C258 HydrophobicContact CE2-CB 3.47Å; F247-C258 VanDerWaalsContact CE2-CB 3.47Å; F247-C258 HydrophobicContact CG-CB 4.09Å; F247-C258 HydrophobicContact CZ-CB 3.39Å; F247-C258 PolarHBondContact N-O 3.36Å; F247-C258 PolarHBondContact O-N 3.45Å; C258-W263 VanDerWaalsContact CA-O 3.3Å; C258-W263 WeakPolarHBondContact CA-O 3.4Å
259D94.5Very high94.8Very high3 Ų334 Ų342%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-77.6156.8168.4-176.2-95.3000110.8F247 L261 G262 W263 H265 K578F247-D259 WeakPolarHBondContact CE1-O 3.36Å; D259-L261 PolarHBondContact O-N 3.35Å; D259-L261 WeakPolarHBondContact OD1-CB 3.25Å; D259-L261 WeakPolarHBondContact OD1-CG 3.33Å; D259-L261 PolarHBondContact OD1-N 3.16Å; D259-G262 WeakPolarHBondContact O-CA 3.49Å; D259-G262 PolarHBondContact O-N 3.28Å; D259-W263 HydrophobicContact CB-CD2 3.85Å; D259-W263 HydrophobicContact CB-CG 4.2Å; D259-W263 HydrophobicContact CB-CH2 4.37Å; D259-W263 HydrophobicContact CB-CZ2 3.53Å; D259-W263 VanDerWaalsContact CB-NE1 3.28Å; D259-W263 VanDerWaalsContact CG-NE1 3.27Å; D259-W263 PolarHBondContact N-O 3.19Å; D259-W263 PolarHBondContact OD1-NE1 3.39Å; D259-H265 IonicContact OD2-NE2 2.8Å; D259-K578 IonicContact OD1-NZ 2.77Å; D259-K578 IonicContact OD2-NZ 3.49Å; D259-K578 PolarHBondContact OD2-NZ 3.41Å
260K93.8Very high94.3Very high23 Ų2334.1 Ų34.110%0.117%0.168CC..THydrogen-bonded Turntrans-51.3-30175.270-174177.2-161.80114.3Q205 W240 G244 Q245 G262 E566Q205-K260 PolarHBondContact OE1-O 2.93Å; W240-K260 HydrophobicContact CH2-CB 3.99Å; W240-K260 HydrophobicContact CZ3-CB 3.82Å; G244-K260 WeakPolarHBondContact O-CB 3.37Å; Q245-K260 WeakPolarHBondContact O-CB 3.35Å; Q245-K260 PolarHBondContact O-N 3.39Å; K260-G262 PolarHBondContact O-N 3.35Å; K260-E566 IonicContact NZ-OE1 3.97Å; K260-E566 PolarHBondContact NZ-OE1 2.97Å; K260-E566 IonicContact NZ-OE2 2.92Å
261L91.7Very high93.8Very high44 Ų4441.1 Ų41.123%0.2320%0.201CC..THydrogen-bonded Turntrans-77-8.9177.1-62.2179.2000113.5Y226 D259Y226-L261 VanDerWaalsContact CB-O 3.3Å; Y226-L261 WeakPolarHBondContact CB-O 3.49Å; D259-L261 PolarHBondContact O-N 3.35Å; D259-L261 WeakPolarHBondContact OD1-CB 3.25Å; D259-L261 WeakPolarHBondContact OD1-CG 3.33Å; D259-L261 PolarHBondContact OD1-N 3.16Å
262G93.2Very high93.4Very high0 Ų041 Ų410%020%0.2CC..SBendtrans103.6-10.6171.700000115.5Y215 Y226 D259 K260Y215-G262 WeakPolarHBondContact CE2-O 3.46Å; Y215-G262 PolarHBondContact OH-O 3.49Å; Y226-G262 WeakPolarHBondContact CD1-O 3.38Å; Y226-G262 WeakPolarHBondContact CE1-O 3.44Å; D259-G262 WeakPolarHBondContact O-CA 3.49Å; D259-G262 PolarHBondContact O-N 3.28Å; K260-G262 PolarHBondContact O-N 3.35Å
263W91.5Very high93.2Very high34 Ų3436.2 Ų36.213%0.12919%0.185CC..  trans-77159.2177.462.3-89.9000112C258 D259 H265C258-W263 VanDerWaalsContact CA-O 3.3Å; C258-W263 WeakPolarHBondContact CA-O 3.4Å; D259-W263 HydrophobicContact CB-CD2 3.85Å; D259-W263 HydrophobicContact CB-CG 4.2Å; D259-W263 HydrophobicContact CB-CH2 4.37Å; D259-W263 HydrophobicContact CB-CZ2 3.53Å; D259-W263 VanDerWaalsContact CB-NE1 3.28Å; D259-W263 VanDerWaalsContact CG-NE1 3.27Å; D259-W263 PolarHBondContact N-O 3.19Å; D259-W263 PolarHBondContact OD1-NE1 3.39Å; W263-H265 AromaticContact CH2-CE1 2.95Å; W263-H265 WeakPolarHBondContact CH2-CE1 3.27Å; W263-H265 AromaticContact CH2-ND1 3.27Å; W263-H265 VanDerWaalsContact CH2-ND1 3.27Å; W263-H265 WeakPolarHBondContact CH2-ND1 3.41Å; W263-H265 AromaticContact CH2-NE2 3.57Å; W263-H265 AromaticContact CZ2-CE1 3.6Å; W263-H265 AromaticContact CZ2-NE2 3.84Å; W263-H265 AromaticContact CZ3-CE1 3.61Å; W263-H265 AromaticContact CZ3-CG 3.89Å; W263-H265 AromaticContact CZ3-ND1 3.43Å; W263-H265 WeakPolarHBondContact CZ3-ND1 3.19Å
264I93.9Very high93.3Very high74 Ų7436.5 Ų36.538%0.37919%0.186SC..EExtended strand (participates in β ladder)trans-92.4125.9-170.4-62.3174.9000110.9Y215 F231 V256Y215-I264 WeakPolarHBondContact OH-CG1 3.39Å; F231-I264 HydrophobicContact CZ-CD1 4.27Å; V256-I264 HydrophobicContact CG1-CB 4.15Å; V256-I264 HydrophobicContact CG1-CD1 3.91Å; V256-I264 HydrophobicContact CG1-CG1 3.74Å; V256-I264 HydrophobicContact CG1-CG2 3.46Å; V256-I264 VanDerWaalsContact CG1-CG2 3.46Å
265H92.5Very high93.4Very high41 Ų4135.4 Ų35.419%0.1918%0.179CC..EExtended strand (participates in β ladder)trans-78.5-48.1167.4-79.2-71.4000112.1M1 L257 D259 W263M1-H265 HydrophobicContact CB-CB 4.49Å; M1-H265 WeakPolarHBondContact CE-CE1 3.42Å; M1-H265 VanDerWaalsContact CE-NE2 3.33Å; M1-H265 WeakPolarHBondContact CE-NE2 3.43Å; L257-H265 HydrophobicContact CB-CB 4.41Å; L257-H265 HydrophobicContact CD2-CB 4.19Å; L257-H265 HydrophobicContact CG-CB 4.16Å; L257-H265 WeakPolarHBondContact O-CB 3.25Å; L257-H265 PolarHBondContact O-N 3.37Å; D259-H265 IonicContact OD2-NE2 2.8Å; W263-H265 AromaticContact CH2-CE1 2.95Å; W263-H265 WeakPolarHBondContact CH2-CE1 3.27Å; W263-H265 AromaticContact CH2-ND1 3.27Å; W263-H265 VanDerWaalsContact CH2-ND1 3.27Å; W263-H265 WeakPolarHBondContact CH2-ND1 3.41Å; W263-H265 AromaticContact CH2-NE2 3.57Å; W263-H265 AromaticContact CZ2-CE1 3.6Å; W263-H265 AromaticContact CZ2-NE2 3.84Å; W263-H265 AromaticContact CZ3-CE1 3.61Å; W263-H265 AromaticContact CZ3-CG 3.89Å; W263-H265 AromaticContact CZ3-ND1 3.43Å; W263-H265 WeakPolarHBondContact CZ3-ND1 3.19Å
266A93.6Very high93.5Very high18 Ų1837.9 Ų37.915%0.14919%0.192CC..EExtended strand (participates in β ladder)trans-156.6150.9-177.600000111K2 V256 L257K2-A266 HydrophobicContact CB-CB 4.18Å; K2-A266 HydrophobicContact CG-CB 4.15Å; V256-A266 WeakPolarHBondContact CA-O 3.39Å; V256-A266 WeakPolarHBondContact CG1-O 3.46Å; L257-A266 PolarHBondContact N-O 3.47Å; L257-A266 PolarHBondContact O-N 2.8Å
267L94.2Very high93.5Very high85 Ų8538.2 Ų38.245%0.44519%0.194SC..EExtended strand (participates in β ladder)trans-118.7128.7169.7177.8153.6000107.3F231 T254 V256 E269F231-L267 HydrophobicContact CE1-CD1 4.45Å; T254-L267 HydrophobicContact CG2-CD2 4.4Å; V256-L267 HydrophobicContact CG2-CB 4.35Å; V256-L267 HydrophobicContact CG2-CD1 4.12Å; V256-L267 HydrophobicContact CG2-CG 4.1Å; L267-E269 HydrophobicContact CD2-CG 4.29Å
268E94.1Very high93.5Very high69 Ų6938.2 Ų38.232%0.32219%0.194SC..EExtended strand (participates in β ladder)trans-120.4127.6178.1-173.473.1170.100109.5I3 V5 T254 V255I3-E268 HydrophobicContact CG2-CB 3.68Å; V5-E268 HydrophobicContact CB-CG 3.97Å; V5-E268 HydrophobicContact CG2-CB 4.35Å; V5-E268 HydrophobicContact CG2-CG 3.65Å; T254-E268 WeakPolarHBondContact CA-O 3.23Å; V255-E268 PolarHBondContact N-O 3.15Å; V255-E268 PolarHBondContact O-N 3.18Å
269E92.1Very high93.6Very high154 Ų15439.7 Ų39.772%0.7220%0.201SC*.EExtended strand (participates in β ladder)trans-79.5136.2173.9-69.9-176.6-171.800110.6A253 T254 L267A253-E269 CarbonylContact O-C 3.23Å; A253-E269 WeakPolarHBondContact O-CA 3.31Å; T254-E269 HydrophobicContact CG2-CG 4.4Å; L267-E269 HydrophobicContact CD2-CG 4.29Å
270T87Confident93.6Very high4 Ų440.4 Ų40.43%0.02520%0.203CC..EExtended strand (participates in β ladder)trans-128.3129.3-173.458.30000109.1V5 A253 T254 V255 T272 I297V5-T270 HydrophobicContact CG1-CG2 4.45Å; V5-T270 HydrophobicContact CG2-CG2 4.26Å; A253-T270 CarbonylContact C-O 3.59Å; A253-T270 WeakPolarHBondContact CA-O 3.5Å; A253-T270 WeakPolarHBondContact CA-OG1 3.38Å; A253-T270 WeakPolarHBondContact CB-O 3.35Å; A253-T270 PolarHBondContact O-N 3.29Å; A253-T270 PolarHBondContact O-OG1 3.26Å; T254-T270 PolarHBondContact N-OG1 3.23Å; T254-T270 VanDerWaalsContact N-OG1 3.17Å; V255-T270 HydrophobicContact CB-CG2 4.37Å; V255-T270 HydrophobicContact CG2-CG2 3.9Å; T270-T272 WeakPolarHBondContact CB-OG1 3.31Å; T270-T272 PolarHBondContact O-N 3.17Å; T270-T272 PolarHBondContact OG1-OG1 3.42Å; T270-I297 HydrophobicContact CG2-CD1 3.47Å; T270-I297 VanDerWaalsContact CG2-CD1 3.47Å
271Q87Confident93.5Very high148 Ų14839.3 Ų39.369%0.69220%0.198SC*.EExtended strand (participates in β ladder)trans-85.149.8179.2-64.8-178.1-9.500111.6N293 R295Q271-N293 PolarHBondContact O-ND2 3.38Å; Q271-R295 WeakPolarHBondContact O-CD 3.39Å; Q271-R295 PolarHBondContact O-NH1 3.26Å
272T90.1Very high93.1Very high1 Ų139.2 Ų39.21%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-115.5-3.5-168.1520000113.7T270 I275 G291 G292 N293 R295 I297T270-T272 WeakPolarHBondContact CB-OG1 3.31Å; T270-T272 PolarHBondContact O-N 3.17Å; T270-T272 PolarHBondContact OG1-OG1 3.42Å; T272-I275 HydrophobicContact CG2-CD1 4.39Å; T272-I275 WeakPolarHBondContact OG1-CD1 3.37Å; T272-G291 CarbonylContact O-C 3.55Å; T272-G291 WeakPolarHBondContact O-CA 3.45Å; T272-G292 PolarHBondContact O-N 3.33Å; T272-G292 VanDerWaalsContact O-N 3.09Å; T272-N293 VanDerWaalsContact C-CG 3.42Å; T272-N293 WeakPolarHBondContact CA-ND2 3.28Å; T272-N293 WeakPolarHBondContact CA-OD1 3.5Å; T272-N293 PolarHBondContact O-N 2.91Å; T272-N293 PolarHBondContact O-OD1 2.88Å; T272-R295 HydrophobicContact CG2-CB 4.03Å; T272-I297 HydrophobicContact CG2-CD1 4.15Å; T272-I297 HydrophobicContact CG2-CG1 4.35Å; T272-I297 HydrophobicContact CG2-CG2 3.56Å
273G92.9Very high92.7Very high13 Ų1339.4 Ų39.413%0.13420%0.202CC..EExtended strand (participates in β ladder)trans64.5-152.8-162.900000110.8A253 I275A253-G273 WeakPolarHBondContact CA-O 3.23Å; A253-G273 PolarHBondContact N-O 2.87Å; G273-I275 PolarHBondContact O-N 2.79Å
274S95.7Very high92.5Very high30 Ų3037.9 Ų37.921%0.2120%0.196CC..EExtended strand (participates in β ladder)trans-62128.9-178.8-157.40000112.6T236 L276 G291 G292T236-S274 WeakPolarHBondContact CG2-OG 3.44Å; T236-S274 PolarHBondContact OG1-OG 3.31Å; S274-L276 PolarHBondContact O-N 3.3Å; S274-G291 CarbonylContact O-C 3.4Å; S274-G292 PolarHBondContact O-N 3.1Å
275I96.9Very high92.3Very high0 Ų034.7 Ų34.70%018%0.18CC..EExtended strand (participates in β ladder)trans-82.8102.7174.8-57.7-69.7000108.9T236 S237 S251 V255 T272 G273 I278 C289 A290 I297T236-I275 PolarHBondContact OG1-O 3.33Å; S237-I275 WeakPolarHBondContact CB-O 3.1Å; S237-I275 WeakPolarHBondContact OG-CG2 3.38Å; S237-I275 PolarHBondContact OG-O 2.99Å; S251-I275 WeakPolarHBondContact O-CG1 3.45Å; S251-I275 PolarHBondContact O-N 2.91Å; S251-I275 VanDerWaalsContact O-N 3.08Å; V255-I275 HydrophobicContact CG2-CD1 4.05Å; V255-I275 HydrophobicContact CG2-CG1 3.86Å; T272-I275 HydrophobicContact CG2-CD1 4.39Å; T272-I275 WeakPolarHBondContact OG1-CD1 3.37Å; G273-I275 PolarHBondContact O-N 2.79Å; I275-I278 HydrophobicContact CG2-CD1 3.96Å; I275-I278 HydrophobicContact CG2-CG1 3.56Å; I275-C289 HydrophobicContact CD1-CB 4.07Å; I275-C289 HydrophobicContact CG2-CB 3.77Å; I275-A290 CarbonylContact C-O 3.59Å; I275-A290 WeakPolarHBondContact CA-O 3.34Å; I275-I297 HydrophobicContact CD1-CD1 4.19Å
276L97.3Very high92.3Very high53 Ų5332.7 Ų32.728%0.27717%0.171SC..EExtended strand (participates in β ladder)trans-85.7-22-172.8-58.7-179.8000113.4L16 S274 A290L16-L276 HydrophobicContact CD1-CD1 3.79Å; L16-L276 HydrophobicContact CD2-CD1 3.44Å; L16-L276 VanDerWaalsContact CD2-CD1 3.44Å; L16-L276 HydrophobicContact CG-CD1 3.61Å; S274-L276 PolarHBondContact O-N 3.3Å; L276-A290 PolarHBondContact N-O 2.89Å
277S97.8Very high92.4Very high8 Ų831.9 Ų31.96%0.05616%0.164CC..EExtended strand (participates in β ladder)trans-150.2138179.5-166.10000110.1S19 C289 A290S19-S277 PolarHBondContact OG-OG 3.41Å; S19-S277 VanDerWaalsContact OG-OG 3.14Å; S277-C289 CarbonylContact O-C 3.54Å; S277-C289 VanDerWaalsContact O-CA 3.24Å; S277-C289 WeakPolarHBondContact O-CA 3.45Å; S277-A290 PolarHBondContact O-N 2.76Å
278I97.9Very high92.5Very high0 Ų027.8 Ų27.80%014%0.142CC..EExtended strand (participates in β ladder)trans-128134.1171.3-60.7175.2000107.4S237 S239 A248 G250 V255 I275 I287 A288 C289S237-I278 WeakPolarHBondContact OG-CG1 3.46Å; S239-I278 WeakPolarHBondContact CB-O 3.43Å; A248-I278 HydrophobicContact CB-CD1 4.36Å; A248-I278 HydrophobicContact CB-CG2 3.86Å; G250-I278 VanDerWaalsContact N-CD1 3.3Å; V255-I278 HydrophobicContact CG1-CD1 4.45Å; I275-I278 HydrophobicContact CG2-CD1 3.96Å; I275-I278 HydrophobicContact CG2-CG1 3.56Å; I278-I287 HydrophobicContact CG2-CB 4.05Å; I278-I287 HydrophobicContact CG2-CD1 4.31Å; I278-I287 HydrophobicContact CG2-CG2 4.29Å; I278-A288 WeakPolarHBondContact CA-O 3.42Å; I278-C289 HydrophobicContact CG1-CB 4.3Å
279K97.4Very high92.6Very high32 Ų3224.6 Ų24.614%0.13913%0.127CC..EExtended strand (participates in β ladder)trans-133.3134.3171.4-73.6-62.3-161.4130.60110.6V20 D21 W22 D63 I287 A288V20-K279 WeakPolarHBondContact O-CG 3.25Å; D21-K279 IonicContact OD2-NZ 3.75Å; D21-K279 PolarHBondContact OD2-NZ 3.38Å; W22-K279 PolarHBondContact NE1-O 3.2Å; D63-K279 IonicContact OD1-NZ 3.58Å; D63-K279 PolarHBondContact OD1-NZ 2.93Å; K279-I287 CarbonylContact O-C 3.57Å; K279-I287 VanDerWaalsContact O-CA 3.3Å; K279-I287 WeakPolarHBondContact O-CA 3.48Å; K279-A288 PolarHBondContact N-O 3.13Å; K279-A288 PolarHBondContact O-N 3.38Å
280W95.8Very high92.7Very high17 Ų1717.2 Ų17.26%0.0649%0.093CC..EExtended strand (participates in β ladder)trans-79.1144.4172.7-73.684.1000111.9W22 S239 P242 L246 A248 L257 Q286 I287 V301W22-W280 VanDerWaalsContact CD1-C 3.47Å; W22-W280 PolarHBondContact NE1-O 3.46Å; S239-W280 PolarHBondContact O-NE1 3.26Å; P242-W280 HydrophobicContact CG-CB 4.46Å; L246-W280 HydrophobicContact CB-CH2 3.85Å; L246-W280 HydrophobicContact CB-CZ2 4.12Å; L246-W280 HydrophobicContact CD1-CH2 4.19Å; A248-W280 HydrophobicContact CB-CZ2 3.83Å; L257-W280 HydrophobicContact CD1-CH2 3.56Å; L257-W280 HydrophobicContact CD1-CZ2 3.92Å; W280-Q286 CarbonylContact C-O 3.6Å; W280-Q286 WeakPolarHBondContact CA-O 3.35Å; W280-I287 HydrophobicContact CD2-CG2 3.45Å; W280-I287 VanDerWaalsContact CD2-CG2 3.45Å; W280-I287 HydrophobicContact CE3-CG2 3.68Å; W280-I287 HydrophobicContact CG-CG2 3.94Å; W280-I287 HydrophobicContact CH2-CG2 4.13Å; W280-I287 HydrophobicContact CZ2-CG2 3.91Å; W280-I287 HydrophobicContact CZ3-CG2 4.02Å; W280-V301 HydrophobicContact CH2-CG2 3.94Å; W280-V301 HydrophobicContact CZ3-CG2 3.74Å
281S90.8Very high93.1Very high0 Ų017 Ų170%09%0.092CC..  trans-64.3151.8169.159.80000110.3D283 G284 N285 Q286S281-D283 VanDerWaalsContact CB-OD1 3.25Å; S281-D283 WeakPolarHBondContact CB-OD1 3.49Å; S281-D283 PolarHBondContact O-N 3.29Å; S281-D283 VanDerWaalsContact O-N 3.09Å; S281-D283 PolarHBondContact OG-OD1 2.91Å; S281-G284 PolarHBondContact O-N 3.06Å; S281-N285 PolarHBondContact OG-N 3.47Å; S281-Q286 PolarHBondContact N-O 3.42Å; S281-Q286 PolarHBondContact OG-N 3.12Å; S281-Q286 PolarHBondContact OG-O 2.98Å
282P84.5Confident93.4Very high42 Ų4211.2 Ų11.227%0.2737%0.071SC..THydrogen-bonded Turntrans-57.3-27-178.5-27.635.2000114.8
283D83.3Confident93.5Very high5 Ų514.3 Ų14.33%0.0279%0.088CC..THydrogen-bonded Turntrans-84.5-6.6176.367.2-15.4000114.1S281 N285 R339 K342S281-D283 VanDerWaalsContact CB-OD1 3.25Å; S281-D283 WeakPolarHBondContact CB-OD1 3.49Å; S281-D283 PolarHBondContact O-N 3.29Å; S281-D283 VanDerWaalsContact O-N 3.09Å; S281-D283 PolarHBondContact OG-OD1 2.91Å; D283-N285 PolarHBondContact O-ND2 2.75Å; D283-N285 PolarHBondContact OD1-N 3.14Å; D283-N285 PolarHBondContact OD2-ND2 2.66Å; D283-R339 IonicContact OD2-NH2 2.75Å; D283-K342 WeakPolarHBondContact O-CE 3.37Å
284G88.2Confident93.4Very high1 Ų113.7 Ų13.71%0.018%0.081CC..SBendtrans72.324.8177.100000114.8S281 R304S281-G284 PolarHBondContact O-N 3.06Å; G284-R304 PolarHBondContact O-NH2 3.1Å
285N88.7Confident93.3Very high7 Ų714.9 Ų14.94%0.0378%0.082CC..SBendtrans-111.5-14.4-177.9-61-45.6000114.3S281 D283 V301 R304 S341S281-N285 PolarHBondContact OG-N 3.47Å; D283-N285 PolarHBondContact O-ND2 2.75Å; D283-N285 PolarHBondContact OD1-N 3.14Å; D283-N285 PolarHBondContact OD2-ND2 2.66Å; N285-V301 PolarHBondContact O-N 2.83Å; N285-R304 PolarHBondContact OD1-NH1 3.22Å; N285-R304 PolarHBondContact OD1-NH2 2.9Å; N285-S341 VanDerWaalsContact CG-O 3.28Å; N285-S341 VanDerWaalsContact ND2-C 3.34Å; N285-S341 WeakPolarHBondContact ND2-CA 3.44Å; N285-S341 PolarHBondContact ND2-O 2.91Å; N285-S341 PolarHBondContact OD1-O 3.4Å
286Q92.3Very high93.2Very high0 Ų015.2 Ų15.20%08%0.083CC..EExtended strand (participates in β ladder)trans-132.5160.7-179.5-65.8165.899.100111W22 C25 W280 S281 N298 G299 Y300W22-Q286 HydrophobicContact CH2-CB 3.67Å; W22-Q286 HydrophobicContact CH2-CG 4.42Å; W22-Q286 HydrophobicContact CZ2-CB 3.79Å; C25-Q286 PolarHBondContact O-NE2 3.25Å; W280-Q286 CarbonylContact C-O 3.6Å; W280-Q286 WeakPolarHBondContact CA-O 3.35Å; S281-Q286 PolarHBondContact N-O 3.42Å; S281-Q286 PolarHBondContact OG-N 3.12Å; S281-Q286 PolarHBondContact OG-O 2.98Å; Q286-N298 PolarHBondContact OE1-ND2 2.88Å; Q286-G299 CarbonylContact C-O 3.59Å; Q286-G299 WeakPolarHBondContact CA-O 3.45Å; Q286-Y300 HydrophobicContact CG-CD1 3.54Å; Q286-Y300 HydrophobicContact CG-CE1 3.7Å; Q286-Y300 HydrophobicContact CG-CG 4.34Å
287I95.9Very high93Very high0 Ų013 Ų130%07%0.072CC..EExtended strand (participates in β ladder)trans-127.6141.6165.465.9176.8000109.9I3 A248 V255 I278 K279 W280 N298 G299I3-I287 HydrophobicContact CD1-CD1 3.16Å; I3-I287 HydrophobicContact CD1-CG1 3.7Å; I3-I287 HydrophobicContact CG1-CD1 4.47Å; A248-I287 HydrophobicContact CB-CD1 4.08Å; A248-I287 HydrophobicContact CB-CG2 4.13Å; V255-I287 HydrophobicContact CG1-CD1 3.48Å; V255-I287 VanDerWaalsContact CG1-CD1 3.48Å; I278-I287 HydrophobicContact CG2-CB 4.05Å; I278-I287 HydrophobicContact CG2-CD1 4.31Å; I278-I287 HydrophobicContact CG2-CG2 4.29Å; K279-I287 CarbonylContact O-C 3.57Å; K279-I287 VanDerWaalsContact O-CA 3.3Å; K279-I287 WeakPolarHBondContact O-CA 3.48Å; W280-I287 HydrophobicContact CD2-CG2 3.45Å; W280-I287 VanDerWaalsContact CD2-CG2 3.45Å; W280-I287 HydrophobicContact CE3-CG2 3.68Å; W280-I287 HydrophobicContact CG-CG2 3.94Å; W280-I287 HydrophobicContact CH2-CG2 4.13Å; W280-I287 HydrophobicContact CZ2-CG2 3.91Å; W280-I287 HydrophobicContact CZ3-CG2 4.02Å; I287-N298 CarbonylContact O-C 3.56Å; I287-N298 WeakPolarHBondContact O-CA 3.33Å; I287-N298 PolarHBondContact O-OD1 3.18Å; I287-N298 VanDerWaalsContact O-OD1 3.06Å; I287-G299 PolarHBondContact N-O 3.35Å; I287-G299 PolarHBondContact O-N 3.49Å
288A95.9Very high92.8Very high0 Ų012.7 Ų12.70%07%0.069CC..EExtended strand (participates in β ladder)trans-102134165.500000107.5V20 W22 I28 I278 K279 I297V20-A288 HydrophobicContact CB-CB 4.31Å; V20-A288 HydrophobicContact CG2-CB 4.08Å; V20-A288 WeakPolarHBondContact CG2-O 3.46Å; W22-A288 HydrophobicContact CZ2-CB 3.76Å; I28-A288 HydrophobicContact CD1-CB 3.58Å; I28-A288 HydrophobicContact CG1-CB 3.91Å; I28-A288 HydrophobicContact CG2-CB 3.96Å; I278-A288 WeakPolarHBondContact CA-O 3.42Å; K279-A288 PolarHBondContact N-O 3.13Å; K279-A288 PolarHBondContact O-N 3.38Å; A288-I297 WeakPolarHBondContact CA-O 3.37Å
289C96.5Very high92.5Very high1 Ų112.7 Ų12.71%0.0077%0.07CC..EExtended strand (participates in β ladder)trans-126138177.4-45.40000111.5I275 S277 I278 I296 I297I275-C289 HydrophobicContact CD1-CB 4.07Å; I275-C289 HydrophobicContact CG2-CB 3.77Å; S277-C289 CarbonylContact O-C 3.54Å; S277-C289 VanDerWaalsContact O-CA 3.24Å; S277-C289 WeakPolarHBondContact O-CA 3.45Å; I278-C289 HydrophobicContact CG1-CB 4.3Å; C289-I296 WeakPolarHBondContact O-CA 3.38Å; C289-I297 HydrophobicContact CB-CD1 3.99Å; C289-I297 HydrophobicContact CB-CG1 3.58Å; C289-I297 PolarHBondContact N-O 2.91Å; C289-I297 PolarHBondContact O-N 3.21Å
290A95.7Very high92.3Very high0 Ų012.6 Ų12.60%07%0.068CC..EExtended strand (participates in β ladder)trans-98.7121.1174.800000110.6A17 V20 I275 L276 S277 I296A17-A290 HydrophobicContact CB-CB 4.02Å; A17-A290 WeakPolarHBondContact O-CB 3.46Å; V20-A290 HydrophobicContact CG1-CB 3.93Å; V20-A290 HydrophobicContact CG2-CB 4.26Å; I275-A290 CarbonylContact C-O 3.59Å; I275-A290 WeakPolarHBondContact CA-O 3.34Å; L276-A290 PolarHBondContact N-O 2.89Å; S277-A290 PolarHBondContact O-N 2.76Å; A290-I296 HydrophobicContact CB-CD1 4.09Å
291G94.2Very high92.1Very high0 Ų012 Ų120%07%0.067CC..EExtended strand (participates in β ladder)trans-95.6143.9-179.300000113.8A17 T272 S274 N293 G294 R295A17-G291 WeakPolarHBondContact CB-O 3.43Å; A17-G291 PolarHBondContact N-O 3.02Å; T272-G291 CarbonylContact O-C 3.55Å; T272-G291 WeakPolarHBondContact O-CA 3.45Å; S274-G291 CarbonylContact O-C 3.4Å; G291-N293 PolarHBondContact O-N 3.35Å; G291-G294 PolarHBondContact O-N 2.99Å; G291-R295 WeakPolarHBondContact CA-O 3.31Å; G291-R295 PolarHBondContact N-O 3.22Å
292G92.8Very high92Very high25 Ų2512.7 Ų12.726%0.2587%0.07SC..THydrogen-bonded Turntrans-62.2-12.3177.600000115.2T272 S274T272-G292 PolarHBondContact O-N 3.33Å; T272-G292 VanDerWaalsContact O-N 3.09Å; S274-G292 PolarHBondContact O-N 3.1Å
293N92.5Very high92.3Very high66 Ų6613.6 Ų13.635%0.3537%0.071SC..THydrogen-bonded Turntrans-99.713.8173.370-0.3000114.3Q271 T272 G291 R295Q271-N293 PolarHBondContact O-ND2 3.38Å; T272-N293 VanDerWaalsContact C-CG 3.42Å; T272-N293 WeakPolarHBondContact CA-ND2 3.28Å; T272-N293 WeakPolarHBondContact CA-OD1 3.5Å; T272-N293 PolarHBondContact O-N 2.91Å; T272-N293 PolarHBondContact O-OD1 2.88Å; G291-N293 PolarHBondContact O-N 3.35Å; N293-R295 VanDerWaalsContact C-N 3.33Å; N293-R295 PolarHBondContact O-N 3.09Å; N293-R295 VanDerWaalsContact OD1-CB 3.3Å; N293-R295 WeakPolarHBondContact OD1-CB 3.48Å; N293-R295 WeakPolarHBondContact OD1-CG 3.41Å; N293-R295 PolarHBondContact OD1-N 3.04Å
294G92.1Very high92.6Very high0 Ų015.6 Ų15.60%08%0.078CC..SBendtrans85.6-1.4178.700000115.1H13 D15 G291H13-G294 PolarHBondContact N-O 3.18Å; D15-G294 WeakPolarHBondContact O-CA 3.47Å; G291-G294 PolarHBondContact O-N 2.99Å
295R93.6Very high92.8Very high56 Ų5618 Ų1821%0.21110%0.095CC..  trans-76.9139.2173.6-71.4-179.7164.8-176.9-11.7111.1I11 Q271 T272 G291 N293I11-R295 HydrophobicContact CB-CG 4.46Å; I11-R295 HydrophobicContact CG1-CG 4.09Å; I11-R295 HydrophobicContact CG2-CG 4.17Å; Q271-R295 WeakPolarHBondContact O-CD 3.39Å; Q271-R295 PolarHBondContact O-NH1 3.26Å; T272-R295 HydrophobicContact CG2-CB 4.03Å; G291-R295 WeakPolarHBondContact CA-O 3.31Å; G291-R295 PolarHBondContact N-O 3.22Å; N293-R295 VanDerWaalsContact C-N 3.33Å; N293-R295 PolarHBondContact O-N 3.09Å; N293-R295 VanDerWaalsContact OD1-CB 3.3Å; N293-R295 WeakPolarHBondContact OD1-CB 3.48Å; N293-R295 WeakPolarHBondContact OD1-CG 3.41Å; N293-R295 PolarHBondContact OD1-N 3.04Å
296I93.8Very high92.9Very high6 Ų620.5 Ų20.53%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-108.9133.5164.4-51.4-56.1000106.9I12 A17 V20 I28 W40 C289 A290I12-I296 HydrophobicContact CB-CG1 4.08Å; I12-I296 HydrophobicContact CD1-CB 3.78Å; I12-I296 HydrophobicContact CD1-CG1 4.03Å; I12-I296 HydrophobicContact CG1-CB 4.33Å; I12-I296 HydrophobicContact CG1-CG1 4.35Å; I12-I296 HydrophobicContact CG2-CG1 4.23Å; A17-I296 HydrophobicContact CB-CD1 3.57Å; V20-I296 HydrophobicContact CG1-CD1 3.68Å; V20-I296 HydrophobicContact CG1-CG1 4.41Å; V20-I296 HydrophobicContact CG1-CG2 3.9Å; I28-I296 HydrophobicContact CG2-CG2 4.34Å; W40-I296 HydrophobicContact CE3-CB 4.43Å; W40-I296 HydrophobicContact CE3-CG2 3.98Å; W40-I296 HydrophobicContact CZ3-CG2 4.07Å; C289-I296 WeakPolarHBondContact O-CA 3.38Å; A290-I296 HydrophobicContact CB-CD1 4.09Å
297I93.3Very high92.8Very high7 Ų723.1 Ų23.14%0.03612%0.12CC..EExtended strand (participates in β ladder)trans-120.4150177.159168.5000110.2V5 V255 T270 T272 I275 A288 C289V5-I297 HydrophobicContact CG1-CB 3.98Å; V5-I297 HydrophobicContact CG1-CD1 3.9Å; V5-I297 HydrophobicContact CG1-CG1 4.47Å; V5-I297 HydrophobicContact CG1-CG2 4.3Å; V5-I297 HydrophobicContact CG2-CD1 4.38Å; V255-I297 HydrophobicContact CG2-CD1 4.2Å; T270-I297 HydrophobicContact CG2-CD1 3.47Å; T270-I297 VanDerWaalsContact CG2-CD1 3.47Å; T272-I297 HydrophobicContact CG2-CD1 4.15Å; T272-I297 HydrophobicContact CG2-CG1 4.35Å; T272-I297 HydrophobicContact CG2-CG2 3.56Å; I275-I297 HydrophobicContact CD1-CD1 4.19Å; A288-I297 WeakPolarHBondContact CA-O 3.37Å; C289-I297 HydrophobicContact CB-CD1 3.99Å; C289-I297 HydrophobicContact CB-CG1 3.58Å; C289-I297 PolarHBondContact N-O 2.91Å; C289-I297 PolarHBondContact O-N 3.21Å
298N93.3Very high92.6Very high1 Ų123.4 Ų23.41%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-114.1130.3170.6-178.517.5000109.1V6 I28 W40 L42 Q286 I287 Y300V6-N298 PolarHBondContact N-O 3.44Å; I28-N298 HydrophobicContact CD1-CB 4.37Å; W40-N298 HydrophobicContact CH2-CB 3.79Å; W40-N298 HydrophobicContact CZ3-CB 3.92Å; L42-N298 WeakPolarHBondContact CD1-ND2 3.33Å; L42-N298 HydrophobicContact CD2-CB 3.97Å; L42-N298 WeakPolarHBondContact CD2-ND2 3.46Å; Q286-N298 PolarHBondContact OE1-ND2 2.88Å; I287-N298 CarbonylContact O-C 3.56Å; I287-N298 WeakPolarHBondContact O-CA 3.33Å; I287-N298 PolarHBondContact O-OD1 3.18Å; I287-N298 VanDerWaalsContact O-OD1 3.06Å; N298-Y300 VanDerWaalsContact ND2-CZ 3.31Å; N298-Y300 PolarHBondContact ND2-OH 3.36Å
299G93Very high92.2Very high1 Ų124.8 Ų24.81%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-116.3128.817700000111.6K4 Q286 I287K4-G299 WeakPolarHBondContact O-CA 3.47Å; Q286-G299 CarbonylContact C-O 3.59Å; Q286-G299 WeakPolarHBondContact CA-O 3.45Å; I287-G299 PolarHBondContact N-O 3.35Å; I287-G299 PolarHBondContact O-N 3.49Å
300Y91.4Very high91.9Very high29 Ų2926 Ų2611%0.11414%0.141CC..EExtended strand (participates in β ladder)trans-97.4133.1176.6-63.9-89.8000111.1I3 K4 V6 Q286 N298 I302 E318I3-Y300 CarbonylContact C-O 3.57Å; I3-Y300 WeakPolarHBondContact CA-O 3.34Å; K4-Y300 PolarHBondContact N-O 3.28Å; K4-Y300 PolarHBondContact O-N 2.93Å; V6-Y300 HydrophobicContact CG2-CD2 3.92Å; V6-Y300 HydrophobicContact CG2-CE2 3.55Å; Q286-Y300 HydrophobicContact CG-CD1 3.54Å; Q286-Y300 HydrophobicContact CG-CE1 3.7Å; Q286-Y300 HydrophobicContact CG-CG 4.34Å; N298-Y300 VanDerWaalsContact ND2-CZ 3.31Å; N298-Y300 PolarHBondContact ND2-OH 3.36Å; Y300-I302 PolarHBondContact O-N 3.42Å; Y300-E318 HydrophobicContact CD1-CB 4.12Å; Y300-E318 HydrophobicContact CE1-CB 4.41Å
301V91.7Very high91.7Very high5 Ų527.1 Ų27.13%0.0315%0.145CC..EExtended strand (participates in β ladder)trans-78.6111.7169-176.80000108.9M1 K2 L246 L257 W280 N285 R304M1-V301 HydrophobicContact SD-CG1 4.25Å; K2-V301 WeakPolarHBondContact O-CA 3.31Å; L246-V301 HydrophobicContact CD1-CG1 4.3Å; L257-V301 HydrophobicContact CD1-CG2 4.35Å; L257-V301 HydrophobicContact CD2-CG1 4.03Å; L257-V301 HydrophobicContact CD2-CG2 4.27Å; W280-V301 HydrophobicContact CH2-CG2 3.94Å; W280-V301 HydrophobicContact CZ3-CG2 3.74Å; N285-V301 PolarHBondContact O-N 2.83Å; V301-R304 HydrophobicContact CG1-CG 4.32Å
302I90.5Very high91.7Very high15 Ų1529.6 Ų29.68%0.07716%0.157CC..EExtended strand (participates in β ladder)trans-121.1179.3-178.762.1161.1000110.9M1 K2 K4 Y300 R304M1-I302 CarbonylContact C-O 3.56Å; M1-I302 VanDerWaalsContact CA-O 3.23Å; M1-I302 WeakPolarHBondContact CA-O 3.27Å; K2-I302 HydrophobicContact CB-CG1 4.15Å; K2-I302 PolarHBondContact N-O 3.14Å; K2-I302 PolarHBondContact O-N 2.88Å; K4-I302 HydrophobicContact CB-CD1 3.72Å; K4-I302 HydrophobicContact CB-CG1 4.08Å; K4-I302 HydrophobicContact CB-CG2 4.47Å; K4-I302 HydrophobicContact CD-CD1 4.13Å; K4-I302 HydrophobicContact CG-CD1 4.46Å; Y300-I302 PolarHBondContact O-N 3.42Å; I302-R304 PolarHBondContact O-N 3.22Å
303E90.5Very high91.9Very high61 Ų6128.5 Ų28.529%0.28515%0.146SC..  trans53.541.4-177.3-60.3-178.2-177.400111.7M1 K2 L314 L315M1-E303 WeakPolarHBondContact CA-O 3.49Å; M1-E303 WeakPolarHBondContact CG-O 3.48Å; M1-E303 PolarHBondContact N-O 3.43Å; K2-E303 VanDerWaalsContact CD-OE2 3.27Å; K2-E303 WeakPolarHBondContact CD-OE2 3.45Å; K2-E303 WeakPolarHBondContact CE-OE1 3.45Å; K2-E303 WeakPolarHBondContact CE-OE2 3.48Å; K2-E303 WeakPolarHBondContact CG-OE2 3.48Å; K2-E303 IonicContact NZ-OE1 3.21Å; K2-E303 PolarHBondContact NZ-OE1 2.84Å; K2-E303 IonicContact NZ-OE2 3.14Å; K2-E303 PolarHBondContact NZ-OE2 3.39Å; K2-E303 VanDerWaalsContact NZ-OE2 3.16Å; E303-L314 HydrophobicContact CB-CD1 4.18Å; E303-L315 VanDerWaalsContact CA-O 3.22Å; E303-L315 WeakPolarHBondContact CA-O 3.34Å; E303-L315 PolarHBondContact N-O 2.98Å
304R89.5Confident92Very high46 Ų4628 Ų2817%0.17414%0.143CC..EExtended strand (participates in β ladder)trans-77122.8165.8-69-169.8172.9167.95.8107.6M1 G284 N285 V301 I302 L314 L315M1-R304 HydrophobicContact CG-CB 4.48Å; M1-R304 HydrophobicContact CG-CG 3.87Å; M1-R304 HydrophobicContact SD-CG 3.66Å; G284-R304 PolarHBondContact O-NH2 3.1Å; N285-R304 PolarHBondContact OD1-NH1 3.22Å; N285-R304 PolarHBondContact OD1-NH2 2.9Å; V301-R304 HydrophobicContact CG1-CG 4.32Å; I302-R304 PolarHBondContact O-N 3.22Å; R304-L314 WeakPolarHBondContact O-CA 3.41Å; R304-L315 HydrophobicContact CB-CB 4.14Å; R304-L315 PolarHBondContact O-N 3.08Å
305C91.4Very high92.1Very high53 Ų5329 Ų2936%0.35815%0.148SC..EExtended strand (participates in β ladder)trans-108.7131.7179-179.20000109.8E312 A313 L314C305-E312 WeakPolarHBondContact SG-CG 3.44Å; C305-E312 PolarHBondContact SG-OE1 2.95Å; C305-A313 CarbonylContact C-O 3.41Å; C305-A313 WeakPolarHBondContact CA-O 3.39Å; C305-L314 HydrophobicContact CB-CD1 4.21Å
306L92.2Very high91.9Very high59 Ų5928 Ų2831%0.30915%0.151SC..EExtended strand (participates in β ladder)trans-118.7133.2172.5-59.5173000108.7E312 A313 A343 F345 F350L306-E312 CarbonylContact O-C 3.53Å; L306-E312 WeakPolarHBondContact O-CA 3.5Å; L306-A313 HydrophobicContact CB-CB 4.28Å; L306-A313 PolarHBondContact N-O 3.3Å; L306-A313 PolarHBondContact O-N 3.29Å; L306-A343 HydrophobicContact CD1-CB 3.68Å; L306-F345 HydrophobicContact CB-CB 4.27Å; L306-F350 HydrophobicContact CD1-CE2 4.21Å
307E90.1Very high91.7Very high54 Ų5429.8 Ų29.825%0.25216%0.161SC..EExtended strand (participates in β ladder)trans-121.8132.4-178.6-72.5178.8-144.600110.7F311 E312 M576 Y586E307-F311 WeakPolarHBondContact CA-O 3.35Å; E307-E312 HydrophobicContact CG-CG 4.22Å; E307-M576 HydrophobicContact CB-CE 3.9Å; E307-M576 WeakPolarHBondContact OE2-CE 3.35Å; E307-Y586 PolarHBondContact OE2-OH 2.8Å
308W91.8Very high91.3Very high6 Ų631.9 Ų31.92%0.02317%0.171CC..EExtended strand (participates in β ladder)trans-150.8122.8173-174.682.6000111.9G310 F311 F345 N348 I363 E519 Y571W308-G310 VanDerWaalsContact C-N 3.26Å; W308-G310 PolarHBondContact O-N 3.08Å; W308-G310 VanDerWaalsContact O-N 3.13Å; W308-F311 PolarHBondContact N-O 3.43Å; W308-F311 WeakPolarHBondContact O-CB 3.41Å; W308-F311 PolarHBondContact O-N 2.85Å; W308-F345 HydrophobicContact CB-CB 4.19Å; W308-F345 HydrophobicContact CB-CD1 4.29Å; W308-F345 HydrophobicContact CB-CD2 3.97Å; W308-F345 HydrophobicContact CB-CE2 4.49Å; W308-F345 HydrophobicContact CB-CG 3.87Å; W308-F345 WeakPolarHBondContact CB-O 3.45Å; W308-F345 HydrophobicContact CD2-CD2 4.49Å; W308-F345 HydrophobicContact CE3-CD2 4.2Å; W308-F345 AromaticContact CE3-CE2 3.91Å; W308-F345 HydrophobicContact CE3-CE2 3.91Å; W308-F345 HydrophobicContact CG-CD2 4.42Å; W308-N348 HydrophobicContact CH2-CB 4.13Å; W308-N348 VanDerWaalsContact CH2-OD1 3.28Å; W308-N348 WeakPolarHBondContact CH2-OD1 3.5Å; W308-N348 HydrophobicContact CZ3-CB 4.34Å; W308-I363 HydrophobicContact CZ3-CD1 4.06Å; W308-I363 HydrophobicContact CZ3-CG2 4.48Å; W308-E519 PolarHBondContact NE1-OE2 2.93Å; W308-Y571 HydrophobicContact CZ2-CE2 4.12Å
309N87.5Confident91.2Very high30 Ų3037.5 Ų37.516%0.1619%0.192CC..THydrogen-bonded Turntrans52.336.4171.6-170.231.7000114.8R327 Y571N309-R327 PolarHBondContact O-NE 3.37Å; N309-R327 PolarHBondContact O-NH2 3.5Å; N309-R327 PolarHBondContact OD1-NH2 3.41Å; N309-Y571 HydrophobicContact CB-CE1 4.23Å; N309-Y571 PolarHBondContact ND2-OH 3.15Å; N309-Y571 WeakPolarHBondContact OD1-CE1 3.45Å; N309-Y571 PolarHBondContact OD1-OH 2.88Å
310G88.8Confident91.3Very high26 Ų2638.5 Ų38.527%0.26820%0.198SC..THydrogen-bonded Turntrans8411.9-178.500000114.4W308 L326W308-G310 VanDerWaalsContact C-N 3.26Å; W308-G310 PolarHBondContact O-N 3.08Å; W308-G310 VanDerWaalsContact O-N 3.13Å; G310-L326 VanDerWaalsContact O-CB 3.29Å; G310-L326 WeakPolarHBondContact O-CB 3.45Å; G310-L326 WeakPolarHBondContact O-CG 3.07Å; G310-L326 PolarHBondContact O-N 2.91Å
311F92.9Very high91.5Very high23 Ų2337.3 Ų37.310%0.10119%0.194CC..EExtended strand (participates in β ladder)trans-102.4143.9161.9-68.3-95.5000109.9E307 W308 Q324 N325 F345 I363 F366E307-F311 WeakPolarHBondContact CA-O 3.35Å; W308-F311 PolarHBondContact N-O 3.43Å; W308-F311 WeakPolarHBondContact O-CB 3.41Å; W308-F311 PolarHBondContact O-N 2.85Å; F311-Q324 CarbonylContact C-O 3.56Å; F311-Q324 WeakPolarHBondContact CA-O 3.41Å; F311-N325 HydrophobicContact CD1-CB 3.93Å; F311-N325 HydrophobicContact CE1-CB 3.66Å; F311-N325 HydrophobicContact CZ-CB 4.34Å; F311-F345 HydrophobicContact CB-CD1 4.42Å; F311-F345 HydrophobicContact CB-CE1 3.35Å; F311-F345 HydrophobicContact CB-CZ 3.44Å; F311-F345 VanDerWaalsContact CB-CZ 3.44Å; F311-F345 HydrophobicContact CD1-CZ 4.28Å; F311-F345 HydrophobicContact CD2-CZ 4.31Å; F311-F345 HydrophobicContact CG-CE1 4.17Å; F311-F345 AromaticContact CG-CZ 3.78Å; F311-F345 HydrophobicContact CG-CZ 3.78Å; F311-I363 HydrophobicContact CE2-CB 4.3Å; F311-I363 HydrophobicContact CE2-CD1 4.2Å; F311-I363 HydrophobicContact CE2-CG2 4.38Å; F311-I363 HydrophobicContact CZ-CB 4.14Å; F311-F366 HydrophobicContact CD1-CE2 4.45Å; F311-F366 HydrophobicContact CD1-CZ 4.43Å; F311-F366 HydrophobicContact CE1-CE2 4.07Å; F311-F366 HydrophobicContact CE1-CZ 4.38Å
312E93.8Very high91.8Very high53 Ų5338.4 Ų38.425%0.24820%0.2CC..EExtended strand (participates in β ladder)trans-117.6133.6171-168.4-177.7165.600108.5C305 L306 E307 L323 Q324C305-E312 WeakPolarHBondContact SG-CG 3.44Å; C305-E312 PolarHBondContact SG-OE1 2.95Å; L306-E312 CarbonylContact O-C 3.53Å; L306-E312 WeakPolarHBondContact O-CA 3.5Å; E307-E312 HydrophobicContact CG-CG 4.22Å; E312-L323 CarbonylContact O-C 3.57Å; E312-L323 VanDerWaalsContact O-CA 3.28Å; E312-L323 WeakPolarHBondContact O-CA 3.45Å; E312-Q324 PolarHBondContact N-O 3.19Å; E312-Q324 PolarHBondContact O-N 2.84Å
313A95.4Very high92Very high2 Ų237.8 Ų37.82%0.01720%0.197CC..EExtended strand (participates in β ladder)trans-122.4109.1175.200000109.1C305 L306 V321 L323 F345 F350C305-A313 CarbonylContact C-O 3.41Å; C305-A313 WeakPolarHBondContact CA-O 3.39Å; L306-A313 HydrophobicContact CB-CB 4.28Å; L306-A313 PolarHBondContact N-O 3.3Å; L306-A313 PolarHBondContact O-N 3.29Å; A313-V321 HydrophobicContact CB-CG1 4.26Å; A313-L323 HydrophobicContact CB-CD2 3.41Å; A313-L323 VanDerWaalsContact CB-CD2 3.41Å; A313-L323 HydrophobicContact CB-CG 4.33Å; A313-F345 HydrophobicContact CB-CD1 3.95Å; A313-F345 HydrophobicContact CB-CE1 4.3Å; A313-F350 HydrophobicContact CB-CD2 4.31Å; A313-F350 HydrophobicContact CB-CE2 3.71Å; A313-F350 HydrophobicContact CB-CZ 3.95Å
314L95.5Very high92.3Very high55 Ų5538.3 Ų38.329%0.28820%0.2SC..EExtended strand (participates in β ladder)trans-102.7119.5179.9-177.772.3000110.1E303 R304 C305 A316 V321 V322E303-L314 HydrophobicContact CB-CD1 4.18Å; R304-L314 WeakPolarHBondContact O-CA 3.41Å; C305-L314 HydrophobicContact CB-CD1 4.21Å; L314-A316 VanDerWaalsContact C-N 3.34Å; L314-A316 PolarHBondContact O-N 2.78Å; L314-V321 CarbonylContact O-C 3.46Å; L314-V321 WeakPolarHBondContact O-CA 3.23Å; L314-V322 PolarHBondContact N-O 3.38Å; L314-V322 PolarHBondContact O-N 3.24Å
315L93.6Very high92.5Very high20 Ų2037 Ų3711%0.10520%0.196CC..EExtended strand (participates in β ladder)trans-72.790.4165.7-176.566.1000108.6E303 R304 D317 V321 V340E303-L315 VanDerWaalsContact CA-O 3.22Å; E303-L315 WeakPolarHBondContact CA-O 3.34Å; E303-L315 PolarHBondContact N-O 2.98Å; R304-L315 HydrophobicContact CB-CB 4.14Å; R304-L315 PolarHBondContact O-N 3.08Å; L315-D317 WeakPolarHBondContact CD1-O 3.48Å; L315-D317 WeakPolarHBondContact CG-O 3.36Å; L315-V321 HydrophobicContact CD1-CG2 3.79Å; L315-V340 HydrophobicContact CD1-CB 3.8Å; L315-V340 HydrophobicContact CD1-CG1 3.99Å; L315-V340 HydrophobicContact CD1-CG2 4.07Å
316A91.1Very high92.5Very high35 Ų3538.5 Ų38.529%0.28920%0.2SC..  trans-71.1-37.7-172.800000112L314 T320 V322L314-A316 VanDerWaalsContact C-N 3.34Å; L314-A316 PolarHBondContact O-N 2.78Å; A316-T320 PolarHBondContact N-O 3.24Å; A316-V322 HydrophobicContact CB-CG2 3.91Å
317D87.7Confident92.4Very high44 Ų4443.6 Ų43.624%0.23522%0.215CC..SBendtrans-145.6-174.2173.365.649.8000110.1L315 R319 T320L315-D317 WeakPolarHBondContact CD1-O 3.48Å; L315-D317 WeakPolarHBondContact CG-O 3.36Å; D317-R319 PolarHBondContact O-N 3.44Å; D317-R319 VanDerWaalsContact O-N 3.11Å; D317-R319 WeakPolarHBondContact OD1-CA 2.96Å; D317-R319 PolarHBondContact OD1-N 3.15Å; D317-T320 VanDerWaalsContact CG-CB 3.48Å; D317-T320 VanDerWaalsContact CG-OG1 3.26Å; D317-T320 PolarHBondContact N-O 3.4Å; D317-T320 VanDerWaalsContact OD1-CB 3.27Å; D317-T320 WeakPolarHBondContact OD1-CB 3.29Å; D317-T320 PolarHBondContact OD1-N 3.25Å; D317-T320 PolarHBondContact OD1-OG1 2.81Å; D317-T320 VanDerWaalsContact OD2-CB 3.23Å; D317-T320 WeakPolarHBondContact OD2-CB 3.39Å; D317-T320 PolarHBondContact OD2-OG1 3.22Å
318E86.2Confident92.5Very high52 Ų5245.9 Ų45.924%0.24323%0.229CC..SBendtrans-59.3-20.2-177.561.8-88.4-16600115.2K4 Y300 R339 V340K4-E318 IonicContact NZ-OE2 3.16Å; Y300-E318 HydrophobicContact CD1-CB 4.12Å; Y300-E318 HydrophobicContact CE1-CB 4.41Å; E318-R339 HydrophobicContact CB-CG 4.12Å; E318-R339 CarbonylContact O-C 3.56Å; E318-R339 VanDerWaalsContact O-CA 3.27Å; E318-R339 WeakPolarHBondContact O-CA 3.06Å; E318-R339 WeakPolarHBondContact O-CG 3.49Å; E318-V340 PolarHBondContact O-N 3.3Å
319R91.5Very high92.5Very high119 Ų11953.1 Ų53.145%0.44926%0.263SS..SBendtrans-132.6-1.6-173.9-70.9178.1-163.3171.65.3113.8D317 F336D317-R319 PolarHBondContact O-N 3.44Å; D317-R319 VanDerWaalsContact O-N 3.11Å; D317-R319 WeakPolarHBondContact OD1-CA 2.96Å; D317-R319 PolarHBondContact OD1-N 3.15Å; R319-F336 VanDerWaalsContact O-CD2 3.25Å; R319-F336 WeakPolarHBondContact O-CD2 3.26Å; R319-F336 PolarHBondContact O-N 2.77Å
320T94.8Very high92.8Very high22 Ų2254.1 Ų54.114%0.13527%0.273CS..EExtended strand (participates in β ladder)trans-121123.7-175-50.20000110.6A316 D317 V322 L334 E335A316-T320 PolarHBondContact N-O 3.24Å; D317-T320 VanDerWaalsContact CG-CB 3.48Å; D317-T320 VanDerWaalsContact CG-OG1 3.26Å; D317-T320 PolarHBondContact N-O 3.4Å; D317-T320 VanDerWaalsContact OD1-CB 3.27Å; D317-T320 WeakPolarHBondContact OD1-CB 3.29Å; D317-T320 PolarHBondContact OD1-N 3.25Å; D317-T320 PolarHBondContact OD1-OG1 2.81Å; D317-T320 VanDerWaalsContact OD2-CB 3.23Å; D317-T320 WeakPolarHBondContact OD2-CB 3.39Å; D317-T320 PolarHBondContact OD2-OG1 3.22Å; T320-V322 HydrophobicContact CG2-CG2 4.48Å; T320-L334 WeakPolarHBondContact CA-O 3.38Å; T320-E335 HydrophobicContact CG2-CG 4.34Å
321V96.1Very high93.1Very high3 Ų356.1 Ų56.12%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-109.2129.3167.9177.90000109.2A313 L314 L315 L323 L334 F336 V340 F350A313-V321 HydrophobicContact CB-CG1 4.26Å; L314-V321 CarbonylContact O-C 3.46Å; L314-V321 WeakPolarHBondContact O-CA 3.23Å; L315-V321 HydrophobicContact CD1-CG2 3.79Å; V321-L323 HydrophobicContact CG1-CG 4.35Å; V321-L334 HydrophobicContact CB-CB 4.48Å; V321-L334 PolarHBondContact N-O 2.95Å; V321-L334 PolarHBondContact O-N 3.01Å; V321-F336 HydrophobicContact CB-CE2 4.14Å; V321-F336 HydrophobicContact CG2-CE2 3.87Å; V321-V340 HydrophobicContact CG2-CG2 4.43Å; V321-F350 HydrophobicContact CB-CE1 4.47Å; V321-F350 HydrophobicContact CG1-CE1 3.84Å; V321-F350 HydrophobicContact CG1-CZ 3.71Å; V321-F350 HydrophobicContact CG2-CZ 4.44Å
322V96.7Very high93.2Very high28 Ų2858.1 Ų58.117%0.1729%0.289CS..EExtended strand (participates in β ladder)trans-103.4118.4172.6-1750000108.2L314 A316 T320 V331 R333L314-V322 PolarHBondContact N-O 3.38Å; L314-V322 PolarHBondContact O-N 3.24Å; A316-V322 HydrophobicContact CB-CG2 3.91Å; T320-V322 HydrophobicContact CG2-CG2 4.48Å; V322-V331 HydrophobicContact CG1-CG1 3.63Å; V322-R333 HydrophobicContact CG1-CG 4.44Å; V322-R333 HydrophobicContact CG2-CG 4.25Å
323L95.8Very high93.3Very high3 Ų363.9 Ų63.92%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-100.2132.7175.1-75.6157.3000109.2E312 A313 V321 V331 E332 L334 F345 F350 F366E312-L323 CarbonylContact O-C 3.57Å; E312-L323 VanDerWaalsContact O-CA 3.28Å; E312-L323 WeakPolarHBondContact O-CA 3.45Å; A313-L323 HydrophobicContact CB-CD2 3.41Å; A313-L323 VanDerWaalsContact CB-CD2 3.41Å; A313-L323 HydrophobicContact CB-CG 4.33Å; V321-L323 HydrophobicContact CG1-CG 4.35Å; L323-V331 CarbonylContact O-C 3.51Å; L323-V331 VanDerWaalsContact O-CA 3.28Å; L323-V331 WeakPolarHBondContact O-CA 3.45Å; L323-E332 HydrophobicContact CB-CB 4.17Å; L323-E332 PolarHBondContact N-O 3.3Å; L323-E332 PolarHBondContact O-N 3.39Å; L323-L334 HydrophobicContact CD1-CD1 3.42Å; L323-L334 VanDerWaalsContact CD1-CD1 3.42Å; L323-L334 HydrophobicContact CD1-CG 4.01Å; L323-F345 HydrophobicContact CD2-CD1 4.42Å; L323-F345 HydrophobicContact CD2-CE1 3.73Å; L323-F345 HydrophobicContact CD2-CZ 4.37Å; L323-F350 HydrophobicContact CD1-CD1 3.96Å; L323-F350 HydrophobicContact CD1-CE1 4.21Å; L323-F350 HydrophobicContact CD2-CD1 4.17Å; L323-F350 HydrophobicContact CD2-CE1 4.32Å; L323-F350 HydrophobicContact CD2-CG 4.31Å; L323-F350 HydrophobicContact CG-CD1 4.49Å; L323-F350 HydrophobicContact CG-CE1 4.45Å; L323-F366 HydrophobicContact CD1-CD1 3.42Å; L323-F366 VanDerWaalsContact CD1-CD1 3.42Å; L323-F366 HydrophobicContact CD1-CD2 4.46Å; L323-F366 HydrophobicContact CD1-CE1 3.39Å; L323-F366 HydrophobicContact CD1-CE2 4.42Å; L323-F366 HydrophobicContact CD1-CG 4Å; L323-F366 HydrophobicContact CD1-CZ 3.9Å; L323-F366 HydrophobicContact CD2-CE1 4.31Å; L323-F366 HydrophobicContact CD2-CZ 4.35Å; L323-F366 HydrophobicContact CG-CE1 4.44Å
324Q95.3Very high93.3Very high72 Ų7264.4 Ų64.434%0.33631%0.311SS..EExtended strand (participates in β ladder)trans-125.3128.5174.6-176173.24.100109.8F311 E312 L326 S330 V331F311-Q324 CarbonylContact C-O 3.56Å; F311-Q324 WeakPolarHBondContact CA-O 3.41Å; E312-Q324 PolarHBondContact N-O 3.19Å; E312-Q324 PolarHBondContact O-N 2.84Å; Q324-L326 HydrophobicContact CG-CD2 4.19Å; Q324-S330 WeakPolarHBondContact CA-O 3.48Å; Q324-V331 HydrophobicContact CB-CG2 4.44Å; Q324-V331 HydrophobicContact CG-CG2 4.11Å
325N94.3Very high93.3Very high17 Ų1769.3 Ų69.39%0.09133%0.333CS..EExtended strand (participates in β ladder)trans-90.5111.6168.9-179-7.1000108.6F311 R327 D328 E329 S330F311-N325 HydrophobicContact CD1-CB 3.93Å; F311-N325 HydrophobicContact CE1-CB 3.66Å; F311-N325 HydrophobicContact CZ-CB 4.34Å; N325-R327 PolarHBondContact O-N 3.44Å; N325-R327 VanDerWaalsContact O-N 3.15Å; N325-R327 WeakPolarHBondContact OD1-CB 3.47Å; N325-R327 PolarHBondContact OD1-N 3.48Å; N325-D328 VanDerWaalsContact CB-OD1 3.22Å; N325-D328 WeakPolarHBondContact CB-OD1 3.2Å; N325-D328 PolarHBondContact ND2-OD1 3.11Å; N325-D328 PolarHBondContact ND2-OD2 2.88Å; N325-E329 WeakPolarHBondContact O-CA 3.47Å; N325-E329 PolarHBondContact O-N 3.33Å; N325-S330 WeakPolarHBondContact CB-OG 3.2Å; N325-S330 PolarHBondContact N-O 3.22Å
326L91.1Very high93.3Very high86 Ų8669 Ų6945%0.4533%0.33SS..THydrogen-bonded Turntrans-72.4-5.6-176.3-56.6174.4000113.2G310 Q324G310-L326 VanDerWaalsContact O-CB 3.29Å; G310-L326 WeakPolarHBondContact O-CB 3.45Å; G310-L326 WeakPolarHBondContact O-CG 3.07Å; G310-L326 PolarHBondContact O-N 2.91Å; Q324-L326 HydrophobicContact CG-CD2 4.19Å
327R91.1Very high93.2Very high165 Ų16577.2 Ų77.262%0.62335%0.354SS*.THydrogen-bonded Turntrans-91.4-38.4-179.5-57-179.3-171.9-166.10.7113.3N309 N325N309-R327 PolarHBondContact O-NE 3.37Å; N309-R327 PolarHBondContact O-NH2 3.5Å; N309-R327 PolarHBondContact OD1-NH2 3.41Å; N325-R327 PolarHBondContact O-N 3.44Å; N325-R327 VanDerWaalsContact O-N 3.15Å; N325-R327 WeakPolarHBondContact OD1-CB 3.47Å; N325-R327 PolarHBondContact OD1-N 3.48Å
328D91.9Very high93.2Very high102 Ų10277.6 Ų77.655%0.54536%0.356SS..THydrogen-bonded Turntrans-119.93.9-178.962.119.2000112.9N325 S330N325-D328 VanDerWaalsContact CB-OD1 3.22Å; N325-D328 WeakPolarHBondContact CB-OD1 3.2Å; N325-D328 PolarHBondContact ND2-OD1 3.11Å; N325-D328 PolarHBondContact ND2-OD2 2.88Å; D328-S330 PolarHBondContact O-N 3.02Å; D328-S330 VanDerWaalsContact O-N 3.11Å; D328-S330 VanDerWaalsContact OD1-CB 3.27Å; D328-S330 WeakPolarHBondContact OD1-CB 3.46Å; D328-S330 PolarHBondContact OD1-N 3.47Å; D328-S330 PolarHBondContact OD1-OG 2.99Å
329E91.1Very high93.2Very high159 Ų15976.1 Ų76.174%0.74335%0.348SS*.  trans59.816179.6-56.5179.7170.600114N325N325-E329 WeakPolarHBondContact O-CA 3.47Å; N325-E329 PolarHBondContact O-N 3.33Å
330S93.8Very high93.2Very high51 Ų5170.8 Ų70.836%0.35733%0.329SS..  trans-66.5141.2173.560.30000111.3Q324 N325 D328Q324-S330 WeakPolarHBondContact CA-O 3.48Å; N325-S330 WeakPolarHBondContact CB-OG 3.2Å; N325-S330 PolarHBondContact N-O 3.22Å; D328-S330 PolarHBondContact O-N 3.02Å; D328-S330 VanDerWaalsContact O-N 3.11Å; D328-S330 VanDerWaalsContact OD1-CB 3.27Å; D328-S330 WeakPolarHBondContact OD1-CB 3.46Å; D328-S330 PolarHBondContact OD1-N 3.47Å; D328-S330 PolarHBondContact OD1-OG 2.99Å
331V95.1Very high92.9Very high67 Ų6769.9 Ų69.941%0.40632%0.323SS..EExtended strand (participates in β ladder)trans-125.9125.1-179.6-179.80000109.3V322 L323 Q324V322-V331 HydrophobicContact CG1-CG1 3.63Å; L323-V331 CarbonylContact O-C 3.51Å; L323-V331 VanDerWaalsContact O-CA 3.28Å; L323-V331 WeakPolarHBondContact O-CA 3.45Å; Q324-V331 HydrophobicContact CB-CG2 4.44Å; Q324-V331 HydrophobicContact CG-CG2 4.11Å
332E95.1Very high92.7Very high66 Ų6671 Ų7131%0.30833%0.328SS..EExtended strand (participates in β ladder)trans-114133.5176.2-68.3-69.2178.900109.4L323 F366L323-E332 HydrophobicContact CB-CB 4.17Å; L323-E332 PolarHBondContact N-O 3.3Å; L323-E332 PolarHBondContact O-N 3.39Å; E332-F366 HydrophobicContact CG-CB 4.35Å; E332-F366 HydrophobicContact CG-CD2 4.1Å
333R96Very high92.6Very high173 Ų17371.3 Ų71.365%0.65333%0.334SS*.EExtended strand (participates in β ladder)trans-111.2116.8177-70.9-168.9166.584.90.5109.5V322V322-R333 HydrophobicContact CG1-CG 4.44Å; V322-R333 HydrophobicContact CG2-CG 4.25Å
334L96.1Very high92.6Very high13 Ų1372.1 Ų72.17%0.06834%0.34CS..EExtended strand (participates in β ladder)trans-104.9115.5179.3-56.6-177.7000109.3T320 V321 L323 F336 F350 Y361 F366T320-L334 WeakPolarHBondContact CA-O 3.38Å; V321-L334 HydrophobicContact CB-CB 4.48Å; V321-L334 PolarHBondContact N-O 2.95Å; V321-L334 PolarHBondContact O-N 3.01Å; L323-L334 HydrophobicContact CD1-CD1 3.42Å; L323-L334 VanDerWaalsContact CD1-CD1 3.42Å; L323-L334 HydrophobicContact CD1-CG 4.01Å; L334-F336 HydrophobicContact CB-CE2 3.84Å; L334-F336 HydrophobicContact CB-CZ 3.84Å; L334-F336 HydrophobicContact CD1-CZ 4.25Å; L334-F350 HydrophobicContact CD1-CD1 4.2Å; L334-F350 HydrophobicContact CD1-CE1 4.1Å; L334-Y361 HydrophobicContact CD1-CD1 4.25Å; L334-Y361 HydrophobicContact CD1-CD2 4.23Å; L334-Y361 HydrophobicContact CD1-CE1 3.85Å; L334-Y361 HydrophobicContact CD1-CE2 3.87Å; L334-Y361 HydrophobicContact CD1-CG 4.42Å; L334-Y361 HydrophobicContact CD2-CE1 3.93Å; L334-F366 HydrophobicContact CD2-CB 4.4Å
335E94.7Very high92.6Very high159 Ų15969.1 Ų69.174%0.74333%0.325SS*.EExtended strand (participates in β ladder)trans-105.1125.8176.4-66.8179.9-175.400110.1T320T320-E335 HydrophobicContact CG2-CG 4.34Å
336F93.6Very high92.6Very high12 Ų1269.4 Ų69.45%0.05333%0.328CS..  trans-104.4148.2-178.7-59.7-79.8000110.9R319 V321 L334 D338 V340 V352 T354 Y359 Y361R319-F336 VanDerWaalsContact O-CD2 3.25Å; R319-F336 WeakPolarHBondContact O-CD2 3.26Å; R319-F336 PolarHBondContact O-N 2.77Å; V321-F336 HydrophobicContact CB-CE2 4.14Å; V321-F336 HydrophobicContact CG2-CE2 3.87Å; L334-F336 HydrophobicContact CB-CE2 3.84Å; L334-F336 HydrophobicContact CB-CZ 3.84Å; L334-F336 HydrophobicContact CD1-CZ 4.25Å; F336-D338 VanDerWaalsContact C-N 3.35Å; F336-D338 WeakPolarHBondContact CB-O 3.31Å; F336-V340 HydrophobicContact CB-CG2 4.43Å; F336-V340 HydrophobicContact CD2-CG2 3.48Å; F336-V340 VanDerWaalsContact CD2-CG2 3.48Å; F336-V340 HydrophobicContact CE2-CG2 4.02Å; F336-V340 HydrophobicContact CG-CG2 4.07Å; F336-V352 HydrophobicContact CD1-CG1 4.41Å; F336-V352 HydrophobicContact CD2-CG1 4.31Å; F336-V352 HydrophobicContact CE1-CB 4.06Å; F336-V352 HydrophobicContact CE1-CG1 3.93Å; F336-V352 HydrophobicContact CE1-CG2 4.45Å; F336-V352 HydrophobicContact CE2-CB 4.43Å; F336-V352 HydrophobicContact CE2-CG1 3.87Å; F336-V352 HydrophobicContact CE2-CG2 4.28Å; F336-V352 HydrophobicContact CZ-CB 3.8Å; F336-V352 HydrophobicContact CZ-CG1 3.67Å; F336-V352 HydrophobicContact CZ-CG2 3.73Å; F336-T354 HydrophobicContact CB-CG2 4.1Å; F336-T354 HydrophobicContact CD1-CG2 4.23Å; F336-T354 HydrophobicContact CG-CG2 4.25Å; F336-Y359 HydrophobicContact CD1-CD1 4.19Å; F336-Y359 AromaticContact CD1-CD2 3.81Å; F336-Y359 HydrophobicContact CD1-CD2 3.81Å; F336-Y359 HydrophobicContact CD1-CE1 4.05Å; F336-Y359 AromaticContact CD1-CE2 3.64Å; F336-Y359 HydrophobicContact CD1-CE2 3.64Å; F336-Y359 HydrophobicContact CD1-CG 4.09Å; F336-Y359 AromaticContact CD1-CZ 3.76Å; F336-Y359 AromaticContact CE1-CD1 3.94Å; F336-Y359 HydrophobicContact CE1-CD1 3.94Å; F336-Y359 AromaticContact CE1-CD2 3.79Å; F336-Y359 HydrophobicContact CE1-CD2 3.79Å; F336-Y359 HydrophobicContact CE1-CE1 4.26Å; F336-Y359 HydrophobicContact CE1-CE2 4.11Å; F336-Y359 AromaticContact CE1-CG 3.71Å; F336-Y359 HydrophobicContact CE1-CG 3.71Å; F336-Y361 HydrophobicContact CE1-CE2 4.07Å; F336-Y361 WeakPolarHBondContact CE1-OH 3.49Å; F336-Y361 HydrophobicContact CZ-CE2 4.04Å
337R88.6Confident92.8Very high208 Ų20866.6 Ų66.679%0.78531%0.313SS*.SBendtrans-67.4-40.6176.8-67.4-176178.9-178.40.2111.8
338D87.4Confident93Very high53 Ų5362.2 Ų62.228%0.28330%0.302SS..SBendtrans-112.7160.8-176.7-63.8-44.1000110.6F336 V340 S355 T356F336-D338 VanDerWaalsContact C-N 3.35Å; F336-D338 WeakPolarHBondContact CB-O 3.31Å; D338-V340 PolarHBondContact O-N 3.17Å; D338-S355 WeakPolarHBondContact CB-OG 3.22Å; D338-T356 WeakPolarHBondContact OD2-CG2 3.28Å; D338-T356 PolarHBondContact OD2-OG1 3.31Å
339R87.5Confident93.3Very high21 Ų2160.1 Ų60.18%0.07929%0.287CS..  trans-59.6134.4-179.9179.2172.670.3-113-16.8110.8C25 D26 D283 E318 S341 T354 S355C25-R339 PolarHBondContact O-NH2 3.22Å; C25-R339 VanDerWaalsContact O-NH2 3.09Å; D26-R339 IonicContact OD1-CZ 2.72Å; D26-R339 VanDerWaalsContact OD1-CZ 3.24Å; D26-R339 IonicContact OD1-NH1 3.57Å; D26-R339 PolarHBondContact OD1-NH1 3.38Å; D26-R339 IonicContact OD1-NH2 2.66Å; D26-R339 PolarHBondContact OD1-NH2 3.04Å; D283-R339 IonicContact OD2-NH2 2.75Å; E318-R339 HydrophobicContact CB-CG 4.12Å; E318-R339 CarbonylContact O-C 3.56Å; E318-R339 VanDerWaalsContact O-CA 3.27Å; E318-R339 WeakPolarHBondContact O-CA 3.06Å; E318-R339 WeakPolarHBondContact O-CG 3.49Å; R339-S341 PolarHBondContact O-N 3.39Å; R339-T354 CarbonylContact O-C 3.56Å; R339-T354 WeakPolarHBondContact O-CA 3.49Å; R339-T354 VanDerWaalsContact O-CB 3.27Å; R339-T354 WeakPolarHBondContact O-CB 3.4Å; R339-S355 PolarHBondContact O-N 2.8Å; R339-S355 VanDerWaalsContact O-N 3.16Å
340V91Very high93.6Very high6 Ų652.6 Ų52.64%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-70.1120.6170.8176.70000108.9L315 E318 V321 F336 D338 V352L315-V340 HydrophobicContact CD1-CB 3.8Å; L315-V340 HydrophobicContact CD1-CG1 3.99Å; L315-V340 HydrophobicContact CD1-CG2 4.07Å; E318-V340 PolarHBondContact O-N 3.3Å; V321-V340 HydrophobicContact CG2-CG2 4.43Å; F336-V340 HydrophobicContact CB-CG2 4.43Å; F336-V340 HydrophobicContact CD2-CG2 3.48Å; F336-V340 VanDerWaalsContact CD2-CG2 3.48Å; F336-V340 HydrophobicContact CE2-CG2 4.02Å; F336-V340 HydrophobicContact CG-CG2 4.07Å; D338-V340 PolarHBondContact O-N 3.17Å; V340-V352 HydrophobicContact CB-CG1 4.24Å; V340-V352 HydrophobicContact CG1-CG1 3.65Å; V340-V352 HydrophobicContact CG2-CG1 3.69Å
341S88.6Confident93.8Very high3 Ų350.1 Ų50.12%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-95.6-45.3178.161.90000112.1N285 R339 V353 T354N285-S341 VanDerWaalsContact CG-O 3.28Å; N285-S341 VanDerWaalsContact ND2-C 3.34Å; N285-S341 WeakPolarHBondContact ND2-CA 3.44Å; N285-S341 PolarHBondContact ND2-O 2.91Å; N285-S341 PolarHBondContact OD1-O 3.4Å; R339-S341 PolarHBondContact O-N 3.39Å; S341-V353 PolarHBondContact N-O 2.95Å; S341-V353 WeakPolarHBondContact OG-CG1 3.31Å; S341-V353 PolarHBondContact OG-O 2.82Å; S341-T354 PolarHBondContact OG-O 3.45Å
342K91.2Very high93.8Very high26 Ų2647 Ų4711%0.11322%0.215CC..EExtended strand (participates in β ladder)trans-143.4153176.3-67.9-66.7-179.6179.40110.1D243 D283 V353 V379 T380 I382D243-K342 IonicContact OD2-NZ 2.69Å; D243-K342 PolarHBondContact OD2-NZ 3.4Å; D243-K342 VanDerWaalsContact OD2-NZ 3.11Å; D283-K342 WeakPolarHBondContact O-CE 3.37Å; K342-V353 HydrophobicContact CB-CB 4.47Å; K342-V353 PolarHBondContact N-O 2.75Å; K342-V353 PolarHBondContact O-N 2.85Å; K342-V379 WeakPolarHBondContact CG-O 3.44Å; K342-T380 WeakPolarHBondContact CE-O 3.49Å; K342-I382 HydrophobicContact CB-CD1 3.81Å; K342-I382 HydrophobicContact CB-CG1 4.19Å
343A95.1Very high93.8Very high36 Ų3643.8 Ų43.830%0.29820%0.2SC..EExtended strand (participates in β ladder)trans-139.1154.1171.300000110L306 F350 I351 V352L306-A343 HydrophobicContact CD1-CB 3.68Å; A343-F350 HydrophobicContact CB-CE2 4.02Å; A343-F350 HydrophobicContact CB-CZ 4.11Å; A343-I351 CarbonylContact C-O 3.57Å; A343-I351 WeakPolarHBondContact CA-O 3.18Å; A343-V352 HydrophobicContact CB-CG2 4.41Å
344S95.7Very high93.5Very high20 Ų2035.6 Ų35.614%0.1417%0.169CC..EExtended strand (participates in β ladder)trans-146.5141177-168.10000109.3F350 I351 Q384S344-F350 WeakPolarHBondContact O-CD2 3.35Å; S344-I351 PolarHBondContact N-O 3.18Å; S344-I351 PolarHBondContact O-N 3.45Å; S344-Q384 PolarHBondContact OG-OE1 2.8Å
345F95.8Very high92.9Very high9 Ų935.9 Ų35.94%0.03917%0.172CC..EExtended strand (participates in β ladder)trans-133.5102.9-176.8-157.8169.3000110.2L306 W308 F311 A313 L323 Y349 F350 I363 F366L306-F345 HydrophobicContact CB-CB 4.27Å; W308-F345 HydrophobicContact CB-CB 4.19Å; W308-F345 HydrophobicContact CB-CD1 4.29Å; W308-F345 HydrophobicContact CB-CD2 3.97Å; W308-F345 HydrophobicContact CB-CE2 4.49Å; W308-F345 HydrophobicContact CB-CG 3.87Å; W308-F345 WeakPolarHBondContact CB-O 3.45Å; W308-F345 HydrophobicContact CD2-CD2 4.49Å; W308-F345 HydrophobicContact CE3-CD2 4.2Å; W308-F345 AromaticContact CE3-CE2 3.91Å; W308-F345 HydrophobicContact CE3-CE2 3.91Å; W308-F345 HydrophobicContact CG-CD2 4.42Å; F311-F345 HydrophobicContact CB-CD1 4.42Å; F311-F345 HydrophobicContact CB-CE1 3.35Å; F311-F345 HydrophobicContact CB-CZ 3.44Å; F311-F345 VanDerWaalsContact CB-CZ 3.44Å; F311-F345 HydrophobicContact CD1-CZ 4.28Å; F311-F345 HydrophobicContact CD2-CZ 4.31Å; F311-F345 HydrophobicContact CG-CE1 4.17Å; F311-F345 AromaticContact CG-CZ 3.78Å; F311-F345 HydrophobicContact CG-CZ 3.78Å; A313-F345 HydrophobicContact CB-CD1 3.95Å; A313-F345 HydrophobicContact CB-CE1 4.3Å; L323-F345 HydrophobicContact CD2-CD1 4.42Å; L323-F345 HydrophobicContact CD2-CE1 3.73Å; L323-F345 HydrophobicContact CD2-CZ 4.37Å; F345-Y349 WeakPolarHBondContact CD2-O 3.4Å; F345-F350 HydrophobicContact CB-CD2 3.83Å; F345-F350 HydrophobicContact CB-CE2 4.43Å; F345-F350 AromaticContact CD1-CD2 3.89Å; F345-F350 HydrophobicContact CD1-CD2 3.89Å; F345-F350 HydrophobicContact CD2-CB 4Å; F345-F350 HydrophobicContact CD2-CD2 4.28Å; F345-F350 HydrophobicContact CE1-CD2 4.46Å; F345-F350 HydrophobicContact CE2-CB 4.01Å; F345-F350 HydrophobicContact CG-CB 4.32Å; F345-F350 AromaticContact CG-CD2 3.76Å; F345-F350 HydrophobicContact CG-CD2 3.76Å; F345-F350 HydrophobicContact CG-CG 4.47Å; F345-F350 HydrophobicContact CZ-CB 4.32Å; F345-I363 HydrophobicContact CE2-CG2 3.55Å; F345-I363 HydrophobicContact CZ-CG2 3.84Å; F345-F366 HydrophobicContact CZ-CZ 4.43Å
346S95Very high92.4Very high22 Ų2230.6 Ų30.615%0.15415%0.151CC..EExtended strand (participates in β ladder)trans-160159.9-179.6-57.30000111.4N348 Y349 Q384S346-N348 VanDerWaalsContact C-N 3.28Å; S346-N348 PolarHBondContact O-N 2.85Å; S346-N348 VanDerWaalsContact O-N 3.16Å; S346-Y349 PolarHBondContact N-O 2.87Å; S346-Y349 VanDerWaalsContact N-O 3.13Å; S346-Y349 PolarHBondContact O-N 2.89Å; S346-Q384 VanDerWaalsContact CB-OE1 3.29Å
347F95Very high92.4Very high27 Ų2732.3 Ų32.312%0.11816%0.159CC..THydrogen-bonded Turntrans54.234.7172.7-56.1-78.7000115.9Y349 Q384 Q386 Q473 E519F347-Y349 VanDerWaalsContact C-N 3.3Å; F347-Y349 WeakPolarHBondContact O-CD2 3.5Å; F347-Y349 WeakPolarHBondContact O-CE2 3.37Å; F347-Q384 HydrophobicContact CD2-CB 3.89Å; F347-Q384 HydrophobicContact CE2-CB 4.26Å; F347-Q384 VanDerWaalsContact CE2-O 3.26Å; F347-Q384 WeakPolarHBondContact CE2-O 3.34Å; F347-Q386 HydrophobicContact CD1-CB 4.15Å; F347-Q473 HydrophobicContact CE1-CG 4.41Å; F347-Q473 HydrophobicContact CZ-CG 4.05Å; F347-E519 HydrophobicContact CE1-CB 4.43Å; F347-E519 HydrophobicContact CE1-CG 4.49Å; F347-E519 HydrophobicContact CZ-CG 4.29Å
348N95.5Very high92.7Very high74 Ų7422.4 Ų22.440%0.39612%0.122SC..THydrogen-bonded Turntrans72.813.5-176.2-47.4-81.1000115.4W308 S346 I363W308-N348 HydrophobicContact CH2-CB 4.13Å; W308-N348 VanDerWaalsContact CH2-OD1 3.28Å; W308-N348 WeakPolarHBondContact CH2-OD1 3.5Å; W308-N348 HydrophobicContact CZ3-CB 4.34Å; S346-N348 VanDerWaalsContact C-N 3.28Å; S346-N348 PolarHBondContact O-N 2.85Å; S346-N348 VanDerWaalsContact O-N 3.16Å; N348-I363 HydrophobicContact CB-CD1 3.73Å; N348-I363 HydrophobicContact CB-CG1 3.93Å; N348-I363 WeakPolarHBondContact O-CG2 3.32Å; N348-I363 PolarHBondContact O-N 2.8Å; N348-I363 VanDerWaalsContact OD1-CD1 3.24Å; N348-I363 WeakPolarHBondContact OD1-CD1 3.35Å
349Y97.3Very high93.1Very high57 Ų5720.6 Ų20.622%0.22411%0.111CC..EExtended strand (participates in β ladder)trans-127.6134.5178.7-62.7-84.5000111.6F345 S346 F347 V360 Y361 N362 Q384 Y402F345-Y349 WeakPolarHBondContact CD2-O 3.4Å; S346-Y349 PolarHBondContact N-O 2.87Å; S346-Y349 VanDerWaalsContact N-O 3.13Å; S346-Y349 PolarHBondContact O-N 2.89Å; F347-Y349 VanDerWaalsContact C-N 3.3Å; F347-Y349 WeakPolarHBondContact O-CD2 3.5Å; F347-Y349 WeakPolarHBondContact O-CE2 3.37Å; Y349-V360 HydrophobicContact CD1-CG1 4.07Å; Y349-Y361 CarbonylContact C-O 3.57Å; Y349-Y361 VanDerWaalsContact CA-O 3.23Å; Y349-Y361 WeakPolarHBondContact CA-O 3.26Å; Y349-N362 HydrophobicContact CD1-CB 4.3Å; Y349-N362 HydrophobicContact CE1-CB 4.11Å; Y349-N362 WeakPolarHBondContact CE1-ND2 3.26Å; Y349-Q384 PolarHBondContact O-NE2 2.9Å; Y349-Y402 VanDerWaalsContact CB-CE1 3.4Å; Y349-Y402 AromaticContact CD1-CD1 3.58Å; Y349-Y402 HydrophobicContact CD1-CD1 3.58Å; Y349-Y402 HydrophobicContact CD1-CE1 4.17Å; Y349-Y402 AromaticContact CD1-CG 3.91Å; Y349-Y402 HydrophobicContact CD1-CG 3.91Å; Y349-Y402 AromaticContact CD2-CD1 3.44Å; Y349-Y402 HydrophobicContact CD2-CD1 3.44Å; Y349-Y402 VanDerWaalsContact CD2-CD1 3.44Å; Y349-Y402 AromaticContact CD2-CD2 3.75Å; Y349-Y402 HydrophobicContact CD2-CD2 3.75Å; Y349-Y402 AromaticContact CD2-CE1 3.34Å; Y349-Y402 HydrophobicContact CD2-CE1 3.34Å; Y349-Y402 AromaticContact CD2-CE2 3.66Å; Y349-Y402 HydrophobicContact CD2-CE2 3.66Å; Y349-Y402 AromaticContact CD2-CG 3.62Å; Y349-Y402 HydrophobicContact CD2-CG 3.62Å; Y349-Y402 AromaticContact CD2-CZ 3.43Å; Y349-Y402 VanDerWaalsContact CD2-CZ 3.43Å; Y349-Y402 HydrophobicContact CE1-CD1 4.02Å; Y349-Y402 AromaticContact CE1-CG 3.83Å; Y349-Y402 HydrophobicContact CE1-CG 3.83Å; Y349-Y402 AromaticContact CE2-CD1 3.9Å; Y349-Y402 HydrophobicContact CE2-CD1 3.9Å; Y349-Y402 AromaticContact CE2-CD2 3.49Å; Y349-Y402 HydrophobicContact CE2-CD2 3.49Å; Y349-Y402 VanDerWaalsContact CE2-CD2 3.49Å; Y349-Y402 HydrophobicContact CE2-CE1 4.12Å; Y349-Y402 AromaticContact CE2-CE2 3.74Å; Y349-Y402 HydrophobicContact CE2-CE2 3.74Å; Y349-Y402 AromaticContact CE2-CG 3.55Å; Y349-Y402 HydrophobicContact CE2-CG 3.55Å; Y349-Y402 AromaticContact CG-CD1 3.27Å; Y349-Y402 HydrophobicContact CG-CD1 3.27Å; Y349-Y402 HydrophobicContact CG-CD2 4.4Å; Y349-Y402 AromaticContact CG-CE1 3.37Å; Y349-Y402 HydrophobicContact CG-CE1 3.37Å; Y349-Y402 HydrophobicContact CG-CE2 4.47Å; Y349-Y402 AromaticContact CG-CG 3.8Å; Y349-Y402 HydrophobicContact CG-CG 3.8Å; Y349-Y402 AromaticContact CG-CZ 3.98Å; Y349-Y402 AromaticContact CZ-CD2 3.94Å; Y349-Y402 AromaticContact CZ-CG 3.65Å
350F97.7Very high93.6Very high1 Ų119.8 Ų19.80%0.00411%0.109CC..EExtended strand (participates in β ladder)trans-104.9119.8169.8-179.4-121.6000108.4L306 A313 V321 L323 L334 A343 S344 F345 V352 Y361 F366L306-F350 HydrophobicContact CD1-CE2 4.21Å; A313-F350 HydrophobicContact CB-CD2 4.31Å; A313-F350 HydrophobicContact CB-CE2 3.71Å; A313-F350 HydrophobicContact CB-CZ 3.95Å; V321-F350 HydrophobicContact CB-CE1 4.47Å; V321-F350 HydrophobicContact CG1-CE1 3.84Å; V321-F350 HydrophobicContact CG1-CZ 3.71Å; V321-F350 HydrophobicContact CG2-CZ 4.44Å; L323-F350 HydrophobicContact CD1-CD1 3.96Å; L323-F350 HydrophobicContact CD1-CE1 4.21Å; L323-F350 HydrophobicContact CD2-CD1 4.17Å; L323-F350 HydrophobicContact CD2-CE1 4.32Å; L323-F350 HydrophobicContact CD2-CG 4.31Å; L323-F350 HydrophobicContact CG-CD1 4.49Å; L323-F350 HydrophobicContact CG-CE1 4.45Å; L334-F350 HydrophobicContact CD1-CD1 4.2Å; L334-F350 HydrophobicContact CD1-CE1 4.1Å; A343-F350 HydrophobicContact CB-CE2 4.02Å; A343-F350 HydrophobicContact CB-CZ 4.11Å; S344-F350 WeakPolarHBondContact O-CD2 3.35Å; F345-F350 HydrophobicContact CB-CD2 3.83Å; F345-F350 HydrophobicContact CB-CE2 4.43Å; F345-F350 AromaticContact CD1-CD2 3.89Å; F345-F350 HydrophobicContact CD1-CD2 3.89Å; F345-F350 HydrophobicContact CD2-CB 4Å; F345-F350 HydrophobicContact CD2-CD2 4.28Å; F345-F350 HydrophobicContact CE1-CD2 4.46Å; F345-F350 HydrophobicContact CE2-CB 4.01Å; F345-F350 HydrophobicContact CG-CB 4.32Å; F345-F350 AromaticContact CG-CD2 3.76Å; F345-F350 HydrophobicContact CG-CD2 3.76Å; F345-F350 HydrophobicContact CG-CG 4.47Å; F345-F350 HydrophobicContact CZ-CB 4.32Å; F350-V352 HydrophobicContact CD1-CG2 3.82Å; F350-V352 HydrophobicContact CE1-CG2 3.11Å; F350-V352 HydrophobicContact CE2-CG2 4.27Å; F350-V352 HydrophobicContact CZ-CG2 3.37Å; F350-Y361 HydrophobicContact CD1-CD2 4.02Å; F350-Y361 PolarHBondContact N-O 2.77Å; F350-Y361 PolarHBondContact O-N 3.2Å; F350-F366 HydrophobicContact CB-CE1 4.11Å
351I97.4Very high93.9Very high0 Ų020.1 Ų20.10%011%0.109CC..EExtended strand (participates in β ladder)trans-109.2128.5-179.3-58.5-176.5000108A343 S344 V353 Y359 V360 I382 Q384 F389 Y402A343-I351 CarbonylContact C-O 3.57Å; A343-I351 WeakPolarHBondContact CA-O 3.18Å; S344-I351 PolarHBondContact N-O 3.18Å; S344-I351 PolarHBondContact O-N 3.45Å; I351-V353 HydrophobicContact CG2-CG2 4.34Å; I351-Y359 CarbonylContact C-O 3.57Å; I351-Y359 WeakPolarHBondContact CA-O 3.46Å; I351-V360 HydrophobicContact CD1-CG2 4.48Å; I351-V360 HydrophobicContact CG1-CG1 4.39Å; I351-V360 HydrophobicContact CG1-CG2 4.16Å; I351-V360 HydrophobicContact CG2-CG2 4.43Å; I351-I382 HydrophobicContact CD1-CG2 4.42Å; I351-I382 HydrophobicContact CG2-CD1 4.18Å; I351-Q384 HydrophobicContact CD1-CG 4.07Å; I351-F389 HydrophobicContact CD1-CB 3.56Å; I351-F389 HydrophobicContact CD1-CD1 3.63Å; I351-F389 HydrophobicContact CD1-CD2 3.61Å; I351-F389 HydrophobicContact CD1-CE1 4.13Å; I351-F389 HydrophobicContact CD1-CE2 4.13Å; I351-F389 HydrophobicContact CD1-CG 3.32Å; I351-F389 HydrophobicContact CD1-CZ 4.35Å; I351-Y402 HydrophobicContact CD1-CE1 4.13Å
352V95.8Very high94.3Very high0 Ų022.3 Ų22.30%012%0.121CC..EExtended strand (participates in β ladder)trans-121.9122.8172.9-177.40000108.6F336 V340 A343 F350 C358 Y359 Y361F336-V352 HydrophobicContact CD1-CG1 4.41Å; F336-V352 HydrophobicContact CD2-CG1 4.31Å; F336-V352 HydrophobicContact CE1-CB 4.06Å; F336-V352 HydrophobicContact CE1-CG1 3.93Å; F336-V352 HydrophobicContact CE1-CG2 4.45Å; F336-V352 HydrophobicContact CE2-CB 4.43Å; F336-V352 HydrophobicContact CE2-CG1 3.87Å; F336-V352 HydrophobicContact CE2-CG2 4.28Å; F336-V352 HydrophobicContact CZ-CB 3.8Å; F336-V352 HydrophobicContact CZ-CG1 3.67Å; F336-V352 HydrophobicContact CZ-CG2 3.73Å; V340-V352 HydrophobicContact CB-CG1 4.24Å; V340-V352 HydrophobicContact CG1-CG1 3.65Å; V340-V352 HydrophobicContact CG2-CG1 3.69Å; A343-V352 HydrophobicContact CB-CG2 4.41Å; F350-V352 HydrophobicContact CD1-CG2 3.82Å; F350-V352 HydrophobicContact CE1-CG2 3.11Å; F350-V352 HydrophobicContact CE2-CG2 4.27Å; F350-V352 HydrophobicContact CZ-CG2 3.37Å; V352-C358 CarbonylContact O-C 3.55Å; V352-C358 WeakPolarHBondContact O-CA 3.24Å; V352-Y359 PolarHBondContact N-O 2.87Å; V352-Y359 PolarHBondContact O-N 2.69Å; V352-Y361 HydrophobicContact CG2-CE2 4.38Å
353V93.8Very high94.4Very high0 Ų022.5 Ų22.50%012%0.123CC..EExtended strand (participates in β ladder)trans-103.4127172.41790000107.7S341 K342 I351 C358 L374 V379 I382 L391S341-V353 PolarHBondContact N-O 2.95Å; S341-V353 WeakPolarHBondContact OG-CG1 3.31Å; S341-V353 PolarHBondContact OG-O 2.82Å; K342-V353 HydrophobicContact CB-CB 4.47Å; K342-V353 PolarHBondContact N-O 2.75Å; K342-V353 PolarHBondContact O-N 2.85Å; I351-V353 HydrophobicContact CG2-CG2 4.34Å; V353-C358 HydrophobicContact CG2-CB 4.21Å; V353-L374 HydrophobicContact CG1-CD1 3.44Å; V353-L374 VanDerWaalsContact CG1-CD1 3.44Å; V353-V379 HydrophobicContact CG1-CB 3.87Å; V353-V379 HydrophobicContact CG1-CG1 4.37Å; V353-V379 HydrophobicContact CG1-CG2 3.77Å; V353-V379 HydrophobicContact CG2-CG1 4.49Å; V353-I382 HydrophobicContact CB-CD1 4.4Å; V353-I382 HydrophobicContact CG2-CD1 3.64Å; V353-I382 HydrophobicContact CG2-CG1 4.35Å; V353-L391 HydrophobicContact CG2-CD1 4.43Å; V353-L391 HydrophobicContact CG2-CD2 4.01Å
354T91.3Very high94.2Very high0 Ų029.8 Ų29.80%015%0.148CC..EExtended strand (participates in β ladder)trans-100.5-175169.868.30000110F336 R339 S341 T356 Q357 Y359F336-T354 HydrophobicContact CB-CG2 4.1Å; F336-T354 HydrophobicContact CD1-CG2 4.23Å; F336-T354 HydrophobicContact CG-CG2 4.25Å; R339-T354 CarbonylContact O-C 3.56Å; R339-T354 WeakPolarHBondContact O-CA 3.49Å; R339-T354 VanDerWaalsContact O-CB 3.27Å; R339-T354 WeakPolarHBondContact O-CB 3.4Å; S341-T354 PolarHBondContact OG-O 3.45Å; T354-T356 PolarHBondContact O-N 3.44Å; T354-T356 PolarHBondContact OG1-N 2.66Å; T354-Q357 PolarHBondContact N-O 2.7Å; T354-Q357 PolarHBondContact OG1-N 2.95Å; T354-Q357 PolarHBondContact OG1-O 2.85Å; T354-Y359 HydrophobicContact CG2-CD2 4.13Å; T354-Y359 HydrophobicContact CG2-CE2 3.61Å
355S81.8Confident94Very high19 Ų1932 Ų3213%0.13316%0.158CC..SBendtrans-65.4-16.8173.855.60000114D338 R339 S377D338-S355 WeakPolarHBondContact CB-OG 3.22Å; R339-S355 PolarHBondContact O-N 2.8Å; R339-S355 VanDerWaalsContact O-N 3.16Å; S355-S377 WeakPolarHBondContact O-CA 3.28Å; S355-S377 WeakPolarHBondContact O-CB 3.42Å
356T85.5Confident93.8Very high48 Ų4832.3 Ų32.329%0.29416%0.159SC..SBendtrans-130.3-23.3-173.963.10000113.8D338 T354 L374D338-T356 WeakPolarHBondContact OD2-CG2 3.28Å; D338-T356 PolarHBondContact OD2-OG1 3.31Å; T354-T356 PolarHBondContact O-N 3.44Å; T354-T356 PolarHBondContact OG1-N 2.66Å; T356-L374 PolarHBondContact O-N 3.4Å
357Q92.8Very high93.6Very high48 Ų4836.9 Ų36.922%0.22418%0.182CC..EExtended strand (participates in β ladder)trans-137.2153.8-168.3-70.8-178-8.900111.6T354 Y359 I371 V372T354-Q357 PolarHBondContact N-O 2.7Å; T354-Q357 PolarHBondContact OG1-N 2.95Å; T354-Q357 PolarHBondContact OG1-O 2.85Å; Q357-Y359 HydrophobicContact CB-CD2 4.26Å; Q357-Y359 HydrophobicContact CB-CE2 3.63Å; Q357-Y359 VanDerWaalsContact OE1-CZ 3.26Å; Q357-Y359 PolarHBondContact OE1-OH 3.4Å; Q357-I371 HydrophobicContact CB-CG2 4.1Å; Q357-I371 HydrophobicContact CG-CG2 4.23Å; Q357-V372 CarbonylContact C-O 3.45Å; Q357-V372 VanDerWaalsContact CA-O 3.27Å; Q357-V372 WeakPolarHBondContact CA-O 3.48Å
358C94.8Very high93.5Very high0 Ų040.1 Ų40.10%020%0.204CC..EExtended strand (participates in β ladder)trans-117.1122.5167.8171.20000108.6V352 V353 I371 V372 L374 L391V352-C358 CarbonylContact O-C 3.55Å; V352-C358 WeakPolarHBondContact O-CA 3.24Å; V353-C358 HydrophobicContact CG2-CB 4.21Å; C358-I371 WeakPolarHBondContact O-CA 3.43Å; C358-V372 HydrophobicContact CB-CG1 3.78Å; C358-V372 PolarHBondContact N-O 3.05Å; C358-V372 PolarHBondContact O-N 3.12Å; C358-L374 HydrophobicContact CB-CD1 4.1Å; C358-L374 HydrophobicContact CB-CD2 3.95Å; C358-L374 HydrophobicContact CB-CG 4.11Å; C358-L391 HydrophobicContact CB-CD1 4.28Å
359Y96.8Very high93.5Very high16 Ų1638.4 Ų38.46%0.06320%0.197CC..EExtended strand (participates in β ladder)trans-104.4130.3178.6-59.5-105000109F336 I351 V352 T354 Q357 Y361 P369 I371F336-Y359 HydrophobicContact CD1-CD1 4.19Å; F336-Y359 AromaticContact CD1-CD2 3.81Å; F336-Y359 HydrophobicContact CD1-CD2 3.81Å; F336-Y359 HydrophobicContact CD1-CE1 4.05Å; F336-Y359 AromaticContact CD1-CE2 3.64Å; F336-Y359 HydrophobicContact CD1-CE2 3.64Å; F336-Y359 HydrophobicContact CD1-CG 4.09Å; F336-Y359 AromaticContact CD1-CZ 3.76Å; F336-Y359 AromaticContact CE1-CD1 3.94Å; F336-Y359 HydrophobicContact CE1-CD1 3.94Å; F336-Y359 AromaticContact CE1-CD2 3.79Å; F336-Y359 HydrophobicContact CE1-CD2 3.79Å; F336-Y359 HydrophobicContact CE1-CE1 4.26Å; F336-Y359 HydrophobicContact CE1-CE2 4.11Å; F336-Y359 AromaticContact CE1-CG 3.71Å; F336-Y359 HydrophobicContact CE1-CG 3.71Å; I351-Y359 CarbonylContact C-O 3.57Å; I351-Y359 WeakPolarHBondContact CA-O 3.46Å; V352-Y359 PolarHBondContact N-O 2.87Å; V352-Y359 PolarHBondContact O-N 2.69Å; T354-Y359 HydrophobicContact CG2-CD2 4.13Å; T354-Y359 HydrophobicContact CG2-CE2 3.61Å; Q357-Y359 HydrophobicContact CB-CD2 4.26Å; Q357-Y359 HydrophobicContact CB-CE2 3.63Å; Q357-Y359 VanDerWaalsContact OE1-CZ 3.26Å; Q357-Y359 PolarHBondContact OE1-OH 3.4Å; Y359-Y361 HydrophobicContact CG-CE2 4.41Å; Y359-P369 HydrophobicContact CD1-CB 4.39Å; Y359-P369 HydrophobicContact CD1-CG 4.31Å; Y359-I371 HydrophobicContact CD1-CD1 3.71Å; Y359-I371 HydrophobicContact CD1-CG1 3.58Å; Y359-I371 HydrophobicContact CD1-CG2 4.25Å; Y359-I371 HydrophobicContact CE1-CD1 3.52Å; Y359-I371 HydrophobicContact CE1-CG1 3.87Å; Y359-I371 HydrophobicContact CE1-CG2 4.13Å; Y359-I371 HydrophobicContact CG-CG1 4.38Å
360V97.9Very high93.4Very high4 Ų438.5 Ų38.52%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-120.8115176.6-179.50000108.8Y349 I351 P369 T370 F389 Y402 V404Y349-V360 HydrophobicContact CD1-CG1 4.07Å; I351-V360 HydrophobicContact CD1-CG2 4.48Å; I351-V360 HydrophobicContact CG1-CG1 4.39Å; I351-V360 HydrophobicContact CG1-CG2 4.16Å; I351-V360 HydrophobicContact CG2-CG2 4.43Å; V360-P369 WeakPolarHBondContact O-CA 3.42Å; V360-T370 PolarHBondContact N-O 3.44Å; V360-T370 PolarHBondContact O-N 2.82Å; V360-F389 HydrophobicContact CG2-CE1 3.81Å; V360-F389 HydrophobicContact CG2-CZ 3.74Å; V360-Y402 HydrophobicContact CG1-CD1 3.9Å; V360-V404 HydrophobicContact CB-CG2 3.82Å; V360-V404 HydrophobicContact CG2-CG2 3.54Å
361Y97.5Very high93.3Very high12 Ų1242.4 Ų42.45%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-104.1137.4178.3-61-93.3000109.9L334 F336 Y349 F350 V352 Y359 F366 P369L334-Y361 HydrophobicContact CD1-CD1 4.25Å; L334-Y361 HydrophobicContact CD1-CD2 4.23Å; L334-Y361 HydrophobicContact CD1-CE1 3.85Å; L334-Y361 HydrophobicContact CD1-CE2 3.87Å; L334-Y361 HydrophobicContact CD1-CG 4.42Å; L334-Y361 HydrophobicContact CD2-CE1 3.93Å; F336-Y361 HydrophobicContact CE1-CE2 4.07Å; F336-Y361 WeakPolarHBondContact CE1-OH 3.49Å; F336-Y361 HydrophobicContact CZ-CE2 4.04Å; Y349-Y361 CarbonylContact C-O 3.57Å; Y349-Y361 VanDerWaalsContact CA-O 3.23Å; Y349-Y361 WeakPolarHBondContact CA-O 3.26Å; F350-Y361 HydrophobicContact CD1-CD2 4.02Å; F350-Y361 PolarHBondContact N-O 2.77Å; F350-Y361 PolarHBondContact O-N 3.2Å; V352-Y361 HydrophobicContact CG2-CE2 4.38Å; Y359-Y361 HydrophobicContact CG-CE2 4.41Å; Y361-F366 HydrophobicContact CD1-CB 4.36Å; Y361-F366 HydrophobicContact CD1-CD1 4.09Å; Y361-F366 WeakPolarHBondContact CD1-O 3.14Å; Y361-F366 WeakPolarHBondContact CE1-O 3.13Å; Y361-F366 HydrophobicContact CG-CD1 4.08Å; Y361-P369 HydrophobicContact CD1-CB 3.7Å; Y361-P369 HydrophobicContact CD1-CG 4.24Å; Y361-P369 HydrophobicContact CD2-CB 4.4Å; Y361-P369 HydrophobicContact CE1-CB 3.44Å; Y361-P369 VanDerWaalsContact CE1-CB 3.44Å; Y361-P369 HydrophobicContact CE1-CG 3.56Å; Y361-P369 HydrophobicContact CE2-CB 4.14Å; Y361-P369 HydrophobicContact CG-CB 4.19Å
362N95.7Very high93Very high49 Ų4944.2 Ų44.226%0.26223%0.234SC..EExtended strand (participates in β ladder)trans-91.3134.5165.8-170.3-63.1000108.2Y349 K364 N365Y349-N362 HydrophobicContact CD1-CB 4.3Å; Y349-N362 HydrophobicContact CE1-CB 4.11Å; Y349-N362 WeakPolarHBondContact CE1-ND2 3.26Å; N362-K364 PolarHBondContact O-N 2.82Å; N362-K364 WeakPolarHBondContact OD1-CB 3.06Å; N362-K364 WeakPolarHBondContact OD1-CG 3.37Å; N362-K364 PolarHBondContact OD1-N 3.35Å; N362-N365 CarbonylContact O-C 3.6Å; N362-N365 VanDerWaalsContact O-C 3.23Å; N362-N365 PolarHBondContact O-N 2.82Å; N362-N365 VanDerWaalsContact O-O 3.11Å
363I93.4Very high92.8Very high30 Ų3051.7 Ų51.715%0.15427%0.269CS..THydrogen-bonded Turntrans-56.3-21.2-18063.3175.1000114.1W308 F311 F345 N348 N365 F366W308-I363 HydrophobicContact CZ3-CD1 4.06Å; W308-I363 HydrophobicContact CZ3-CG2 4.48Å; F311-I363 HydrophobicContact CE2-CB 4.3Å; F311-I363 HydrophobicContact CE2-CD1 4.2Å; F311-I363 HydrophobicContact CE2-CG2 4.38Å; F311-I363 HydrophobicContact CZ-CB 4.14Å; F345-I363 HydrophobicContact CE2-CG2 3.55Å; F345-I363 HydrophobicContact CZ-CG2 3.84Å; N348-I363 HydrophobicContact CB-CD1 3.73Å; N348-I363 HydrophobicContact CB-CG1 3.93Å; N348-I363 WeakPolarHBondContact O-CG2 3.32Å; N348-I363 PolarHBondContact O-N 2.8Å; N348-I363 VanDerWaalsContact OD1-CD1 3.24Å; N348-I363 WeakPolarHBondContact OD1-CD1 3.35Å; I363-N365 VanDerWaalsContact C-N 3.28Å; I363-F366 HydrophobicContact CB-CZ 4.27Å; I363-F366 HydrophobicContact CG2-CZ 4.14Å
364K92.3Very high92.3Very high190 Ų19052.8 Ų52.883%0.82628%0.275SS*.THydrogen-bonded Turntrans-72.7-22.3177.3-64.9179-179.7179.90112.8N362N362-K364 PolarHBondContact O-N 2.82Å; N362-K364 WeakPolarHBondContact OD1-CB 3.06Å; N362-K364 WeakPolarHBondContact OD1-CG 3.37Å; N362-K364 PolarHBondContact OD1-N 3.35Å
365N91.3Very high91.5Very high66 Ų6662.4 Ų62.435%0.35332%0.317SS..EExtended strand (participates in β ladder)trans-158.2103.8179.8-173.97000111N362 I363 N367 T368N362-N365 CarbonylContact O-C 3.6Å; N362-N365 VanDerWaalsContact O-C 3.23Å; N362-N365 PolarHBondContact O-N 2.82Å; N362-N365 VanDerWaalsContact O-O 3.11Å; I363-N365 VanDerWaalsContact C-N 3.28Å; N365-N367 VanDerWaalsContact C-N 3.33Å; N365-N367 WeakPolarHBondContact OD1-CB 3.48Å; N365-N367 PolarHBondContact OD1-N 3.09Å; N365-T368 PolarHBondContact ND2-OG1 2.79Å
366F91.4Very high91Very high16 Ų1664.9 Ų64.97%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-80.2-11.9175.6-69.2-73.7000113.7F311 L323 E332 L334 F345 F350 Y361 I363 T368F311-F366 HydrophobicContact CD1-CE2 4.45Å; F311-F366 HydrophobicContact CD1-CZ 4.43Å; F311-F366 HydrophobicContact CE1-CE2 4.07Å; F311-F366 HydrophobicContact CE1-CZ 4.38Å; L323-F366 HydrophobicContact CD1-CD1 3.42Å; L323-F366 VanDerWaalsContact CD1-CD1 3.42Å; L323-F366 HydrophobicContact CD1-CD2 4.46Å; L323-F366 HydrophobicContact CD1-CE1 3.39Å; L323-F366 HydrophobicContact CD1-CE2 4.42Å; L323-F366 HydrophobicContact CD1-CG 4Å; L323-F366 HydrophobicContact CD1-CZ 3.9Å; L323-F366 HydrophobicContact CD2-CE1 4.31Å; L323-F366 HydrophobicContact CD2-CZ 4.35Å; L323-F366 HydrophobicContact CG-CE1 4.44Å; E332-F366 HydrophobicContact CG-CB 4.35Å; E332-F366 HydrophobicContact CG-CD2 4.1Å; L334-F366 HydrophobicContact CD2-CB 4.4Å; F345-F366 HydrophobicContact CZ-CZ 4.43Å; F350-F366 HydrophobicContact CB-CE1 4.11Å; Y361-F366 HydrophobicContact CD1-CB 4.36Å; Y361-F366 HydrophobicContact CD1-CD1 4.09Å; Y361-F366 WeakPolarHBondContact CD1-O 3.14Å; Y361-F366 WeakPolarHBondContact CE1-O 3.13Å; Y361-F366 HydrophobicContact CG-CD1 4.08Å; I363-F366 HydrophobicContact CB-CZ 4.27Å; I363-F366 HydrophobicContact CG2-CZ 4.14Å; F366-T368 PolarHBondContact O-N 2.69Å
367N90.4Very high90.1Very high117 Ų11764.8 Ų64.863%0.62633%0.328SS*.EExtended strand (participates in β ladder)trans-80.3-17.5-175.2-67.1-58.6000114.1N365N365-N367 VanDerWaalsContact C-N 3.33Å; N365-N367 WeakPolarHBondContact OD1-CB 3.48Å; N365-N367 PolarHBondContact OD1-N 3.09Å
368T92.6Very high89.4Confident96 Ų9663.6 Ų63.659%0.58933%0.325SS*.EExtended strand (participates in β ladder)trans-126.373.6-177.1610000111.3N365 F366N365-T368 PolarHBondContact ND2-OG1 2.79Å; F366-T368 PolarHBondContact O-N 2.69Å
369P95.6Very high89Confident37 Ų3763.8 Ų63.824%0.2433%0.326CS..EExtended strand (participates in β ladder)trans-66.7151.7174.825.4-31.5000111.9Y359 V360 Y361 I371Y359-P369 HydrophobicContact CD1-CB 4.39Å; Y359-P369 HydrophobicContact CD1-CG 4.31Å; V360-P369 WeakPolarHBondContact O-CA 3.42Å; Y361-P369 HydrophobicContact CD1-CB 3.7Å; Y361-P369 HydrophobicContact CD1-CG 4.24Å; Y361-P369 HydrophobicContact CD2-CB 4.4Å; Y361-P369 HydrophobicContact CE1-CB 3.44Å; Y361-P369 VanDerWaalsContact CE1-CB 3.44Å; Y361-P369 HydrophobicContact CE1-CG 3.56Å; Y361-P369 HydrophobicContact CE2-CB 4.14Å; Y361-P369 HydrophobicContact CG-CB 4.19Å; P369-I371 HydrophobicContact CB-CG1 4.22Å; P369-I371 HydrophobicContact CG-CD1 4.19Å; P369-I371 HydrophobicContact CG-CG1 4.17Å
370T95.8Very high88.4Confident59 Ų5964 Ų6436%0.36233%0.329SS..EExtended strand (participates in β ladder)trans-89.4128.6161.8-48.90000108.3V360 V404V360-T370 PolarHBondContact N-O 3.44Å; V360-T370 PolarHBondContact O-N 2.82Å; T370-V404 HydrophobicContact CG2-CB 3.94Å; T370-V404 HydrophobicContact CG2-CG2 3.44Å; T370-V404 VanDerWaalsContact CG2-CG2 3.44Å
371I94.3Very high88Confident83 Ų8365.5 Ų65.543%0.42634%0.336SS..EExtended strand (participates in β ladder)trans-121135.9-171.3-50.8172.5000109.2Q357 C358 Y359 P369Q357-I371 HydrophobicContact CB-CG2 4.1Å; Q357-I371 HydrophobicContact CG-CG2 4.23Å; C358-I371 WeakPolarHBondContact O-CA 3.43Å; Y359-I371 HydrophobicContact CD1-CD1 3.71Å; Y359-I371 HydrophobicContact CD1-CG1 3.58Å; Y359-I371 HydrophobicContact CD1-CG2 4.25Å; Y359-I371 HydrophobicContact CE1-CD1 3.52Å; Y359-I371 HydrophobicContact CE1-CG1 3.87Å; Y359-I371 HydrophobicContact CE1-CG2 4.13Å; Y359-I371 HydrophobicContact CG-CG1 4.38Å; P369-I371 HydrophobicContact CB-CG1 4.22Å; P369-I371 HydrophobicContact CG-CD1 4.19Å; P369-I371 HydrophobicContact CG-CG1 4.17Å
372V92.9Very high87.9Confident38 Ų3865.6 Ų65.623%0.2334%0.337CS..EExtended strand (participates in β ladder)trans-126.7147.8168.272.20000110.6Q357 C358 L374 V404Q357-V372 CarbonylContact C-O 3.45Å; Q357-V372 VanDerWaalsContact CA-O 3.27Å; Q357-V372 WeakPolarHBondContact CA-O 3.48Å; C358-V372 HydrophobicContact CB-CG1 3.78Å; C358-V372 PolarHBondContact N-O 3.05Å; C358-V372 PolarHBondContact O-N 3.12Å; V372-L374 HydrophobicContact CG1-CD2 4.35Å; V372-V404 HydrophobicContact CB-CB 4.35Å; V372-V404 HydrophobicContact CB-CG1 3.34Å; V372-V404 HydrophobicContact CG1-CG1 3.16Å; V372-V404 HydrophobicContact CG2-CG1 4.24Å
373E90.2Very high87.9Confident157 Ų15764 Ų6473%0.73433%0.33SS*.EExtended strand (participates in β ladder)trans-82.4130.8171.8-168.3169.6-165.500110.3
374L84Confident88.1Confident24 Ų2463.3 Ų63.313%0.12633%0.326CS..  trans-91.9140.1178.8-63.4177.9000110.1V353 T356 C358 V372 V379 L391V353-L374 HydrophobicContact CG1-CD1 3.44Å; V353-L374 VanDerWaalsContact CG1-CD1 3.44Å; T356-L374 PolarHBondContact O-N 3.4Å; C358-L374 HydrophobicContact CB-CD1 4.1Å; C358-L374 HydrophobicContact CB-CD2 3.95Å; C358-L374 HydrophobicContact CB-CG 4.11Å; V372-L374 HydrophobicContact CG1-CD2 4.35Å; L374-V379 HydrophobicContact CD1-CG2 4.04Å; L374-L391 HydrophobicContact CD2-CD1 3.94Å
375K74.5Confident88.3Confident202 Ų20254.2 Ų54.288%0.87829%0.286SS*.SBendtrans-76.9-30.7177-66.1-176.7-179.5179.10112.6
376E70.3Confident88.5Confident70 Ų7056.6 Ų56.633%0.32730%0.295SS..  trans-120.7143178.2-63.6-160.2174.100110.3D393 S395E376-D393 HydrophobicContact CB-CB 4.42Å; E376-S395 WeakPolarHBondContact OE1-CB 3.39Å
377S67.9Low88.7Confident47 Ų4761.6 Ų61.633%0.32932%0.317SS..SBendtrans-88.1-8.9-175.160.50000114.1S355S355-S377 WeakPolarHBondContact O-CA 3.28Å; S355-S377 WeakPolarHBondContact O-CB 3.42Å
378S77.1Confident89.1Confident23 Ų2357.8 Ų57.816%0.16129%0.294CS..  trans-111.470.3-171.657.70000111.5T380 D393S378-T380 PolarHBondContact O-N 3.37Å; S378-D393 WeakPolarHBondContact O-CA 3.33Å
379V86Confident89.3Confident3 Ų353.3 Ų53.32%0.01827%0.266CS..  trans-74.7119.4168.8174.20000108.9K342 V353 L374 I382 L391 A392 D393K342-V379 WeakPolarHBondContact CG-O 3.44Å; V353-V379 HydrophobicContact CG1-CB 3.87Å; V353-V379 HydrophobicContact CG1-CG1 4.37Å; V353-V379 HydrophobicContact CG1-CG2 3.77Å; V353-V379 HydrophobicContact CG2-CG1 4.49Å; L374-V379 HydrophobicContact CD1-CG2 4.04Å; V379-I382 HydrophobicContact CG1-CG1 4.32Å; V379-L391 HydrophobicContact CG1-CB 4.32Å; V379-L391 HydrophobicContact CG1-CD2 4.35Å; V379-A392 CarbonylContact C-O 3.59Å; V379-A392 WeakPolarHBondContact CA-O 3.15Å; V379-A392 WeakPolarHBondContact CG1-O 3.35Å; V379-D393 HydrophobicContact CG2-CB 4.47Å
380T84.3Confident89.4Confident20 Ų2051.6 Ų51.612%0.12326%0.256CS..  trans-88.8-34.3-176.755.70000111.9K342 S378 A392 A417K342-T380 WeakPolarHBondContact CE-O 3.49Å; S378-T380 PolarHBondContact O-N 3.37Å; T380-A392 PolarHBondContact N-O 3.18Å; T380-A392 PolarHBondContact OG1-O 2.93Å; T380-A417 PolarHBondContact OG1-O 2.98Å
381H90.5Very high89.3Confident37 Ų3749 Ų4917%0.17124%0.239CC..EExtended strand (participates in β ladder)trans-150.4149.3-176.4-171.966.7000113.6A392 I420 A422 I425H381-A392 HydrophobicContact CB-CB 4.19Å; H381-A392 PolarHBondContact N-O 3.08Å; H381-A392 PolarHBondContact O-N 2.87Å; H381-I420 HydrophobicContact CB-CG2 4.15Å; H381-A422 VanDerWaalsContact CE1-CA 3.43Å; H381-A422 WeakPolarHBondContact CE1-CA 3.22Å; H381-I425 VanDerWaalsContact CD2-CG2 3.46Å; H381-I425 WeakPolarHBondContact CD2-CG2 3.41Å
382I94.9Very high89.1Confident13 Ų1345.1 Ų45.17%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-123.2123173.8-51.9177.6000108.1K342 I351 V353 V379 Q384 A390 L391K342-I382 HydrophobicContact CB-CD1 3.81Å; K342-I382 HydrophobicContact CB-CG1 4.19Å; I351-I382 HydrophobicContact CD1-CG2 4.42Å; I351-I382 HydrophobicContact CG2-CD1 4.18Å; V353-I382 HydrophobicContact CB-CD1 4.4Å; V353-I382 HydrophobicContact CG2-CD1 3.64Å; V353-I382 HydrophobicContact CG2-CG1 4.35Å; V379-I382 HydrophobicContact CG1-CG1 4.32Å; I382-Q384 HydrophobicContact CG2-CG 4.3Å; I382-A390 WeakPolarHBondContact CA-O 3.38Å; I382-L391 HydrophobicContact CB-CD2 4.29Å; I382-L391 HydrophobicContact CD1-CD2 4.31Å; I382-L391 HydrophobicContact CG1-CD2 3.75Å; I382-L391 HydrophobicContact CG2-CD2 4.01Å
383S96.1Very high88.6Confident16 Ų1643.8 Ų43.811%0.11221%0.211CC..EExtended strand (participates in β ladder)trans-116135.2172.8-172.10000109.6F389 A390 M427S383-F389 CarbonylContact O-C 3.52Å; S383-F389 WeakPolarHBondContact O-CA 3.12Å; S383-A390 PolarHBondContact N-O 2.87Å; S383-A390 PolarHBondContact O-N 2.73Å; S383-M427 VanDerWaalsContact O-CE 3.28Å; S383-M427 WeakPolarHBondContact O-CE 3.47Å
384Q97.2Very high87.8Confident15 Ų1537.5 Ų37.57%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-120.2147.1-178.3-62.3-172.5-81.600111S344 S346 F347 Y349 I351 I382 F389S344-Q384 PolarHBondContact OG-OE1 2.8Å; S346-Q384 VanDerWaalsContact CB-OE1 3.29Å; F347-Q384 HydrophobicContact CD2-CB 3.89Å; F347-Q384 HydrophobicContact CE2-CB 4.26Å; F347-Q384 VanDerWaalsContact CE2-O 3.26Å; F347-Q384 WeakPolarHBondContact CE2-O 3.34Å; Y349-Q384 PolarHBondContact O-NE2 2.9Å; I351-Q384 HydrophobicContact CD1-CG 4.07Å; I382-Q384 HydrophobicContact CG2-CG 4.3Å; Q384-F389 HydrophobicContact CG-CB 4.05Å
385C96.7Very high87.5Confident0 Ų037.7 Ų37.70%019%0.192CC..  trans-140.3172.5164750000108.5K387 Y388 Y402 M427 S428C385-K387 PolarHBondContact O-N 2.88Å; C385-Y388 PolarHBondContact N-O 3.35Å; C385-Y388 PolarHBondContact O-N 2.88Å; C385-Y388 PolarHBondContact SG-N 3.12Å; C385-Y388 PolarHBondContact SG-O 2.83Å; C385-Y388 VanDerWaalsContact SG-O 3.4Å; C385-Y402 VanDerWaalsContact O-CE2 3.31Å; C385-Y402 WeakPolarHBondContact O-CE2 3.44Å; C385-Y402 PolarHBondContact O-OH 2.9Å; C385-M427 HydrophobicContact CB-CE 4.25Å; C385-M427 HydrophobicContact CB-CG 4.11Å; C385-S428 VanDerWaalsContact SG-C 3.54Å; C385-S428 PolarHBondContact SG-O 2.87Å
386Q95.8Very high88.2Confident115 Ų11528.2 Ų28.254%0.53715%0.151SC..SBendtrans-57-30.8-171.9-171.2-175.59.300115.2F347 Y402 N429F347-Q386 HydrophobicContact CD1-CB 4.15Å; Q386-Y402 WeakPolarHBondContact O-CE2 3.47Å; Q386-N429 WeakPolarHBondContact CB-OD1 3.34Å; Q386-N429 PolarHBondContact N-OD1 2.87Å; Q386-N429 PolarHBondContact OE1-ND2 2.94Å
387K96.4Very high89.2Confident122 Ų12224.9 Ų24.953%0.5314%0.136SC..SBendtrans-101.4-28.2-179-72.2-174.6-178.8-179.60114.7C385 N429C385-K387 PolarHBondContact O-N 2.88Å; K387-N429 WeakPolarHBondContact CB-OD1 3.36Å; K387-N429 HydrophobicContact CD-CB 4.14Å; K387-N429 HydrophobicContact CG-CB 4.41Å; K387-N429 WeakPolarHBondContact CG-OD1 3.16Å; K387-N429 PolarHBondContact N-OD1 2.72Å
388Y97.8Very high90.4Very high37 Ų3724.4 Ų24.415%0.14513%0.127CC..EExtended strand (participates in β ladder)trans-139.1158.8-167.6-53.4-66000111.4C385 V399 Y400 N401 I407 M427 P448C385-Y388 PolarHBondContact N-O 3.35Å; C385-Y388 PolarHBondContact O-N 2.88Å; C385-Y388 PolarHBondContact SG-N 3.12Å; C385-Y388 PolarHBondContact SG-O 2.83Å; C385-Y388 VanDerWaalsContact SG-O 3.4Å; Y388-V399 HydrophobicContact CD1-CG1 4.46Å; Y388-V399 HydrophobicContact CG-CG1 4.2Å; Y388-Y400 CarbonylContact C-O 3.55Å; Y388-Y400 WeakPolarHBondContact CA-O 3.39Å; Y388-Y400 WeakPolarHBondContact CB-O 3.43Å; Y388-N401 HydrophobicContact CD1-CB 4.27Å; Y388-I407 HydrophobicContact CD1-CG1 4.1Å; Y388-I407 HydrophobicContact CE1-CD1 4.46Å; Y388-I407 HydrophobicContact CE1-CG1 3.97Å; Y388-M427 WeakPolarHBondContact O-CE 3.19Å; Y388-P448 HydrophobicContact CD2-CB 3.76Å; Y388-P448 HydrophobicContact CD2-CG 4.03Å; Y388-P448 HydrophobicContact CE2-CB 3.98Å; Y388-P448 HydrophobicContact CE2-CG 3.95Å; Y388-P448 HydrophobicContact CG-CB 4.49Å
389F97.9Very high91.3Very high1 Ų123.3 Ų23.30%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-128.9150.816269.1-89.3000109.5I351 V360 S383 Q384 L391 V399 Y400 N401 Y402 V404I351-F389 HydrophobicContact CD1-CB 3.56Å; I351-F389 HydrophobicContact CD1-CD1 3.63Å; I351-F389 HydrophobicContact CD1-CD2 3.61Å; I351-F389 HydrophobicContact CD1-CE1 4.13Å; I351-F389 HydrophobicContact CD1-CE2 4.13Å; I351-F389 HydrophobicContact CD1-CG 3.32Å; I351-F389 HydrophobicContact CD1-CZ 4.35Å; V360-F389 HydrophobicContact CG2-CE1 3.81Å; V360-F389 HydrophobicContact CG2-CZ 3.74Å; S383-F389 CarbonylContact O-C 3.52Å; S383-F389 WeakPolarHBondContact O-CA 3.12Å; Q384-F389 HydrophobicContact CG-CB 4.05Å; F389-L391 HydrophobicContact CD2-CD2 3.93Å; F389-L391 HydrophobicContact CD2-CG 4.07Å; F389-L391 HydrophobicContact CE2-CD1 4.1Å; F389-L391 HydrophobicContact CE2-CD2 3.99Å; F389-L391 HydrophobicContact CE2-CG 3.88Å; F389-V399 WeakPolarHBondContact O-CA 3.43Å; F389-Y400 HydrophobicContact CD2-CD2 4.38Å; F389-Y400 HydrophobicContact CE1-CG 4.47Å; F389-Y400 AromaticContact CE2-CD2 3.78Å; F389-Y400 HydrophobicContact CE2-CD2 3.78Å; F389-Y400 AromaticContact CE2-CG 4Å; F389-Y400 HydrophobicContact CE2-CG 4Å; F389-Y400 HydrophobicContact CZ-CD2 4.13Å; F389-Y400 AromaticContact CZ-CG 3.86Å; F389-Y400 HydrophobicContact CZ-CG 3.86Å; F389-Y400 PolarHBondContact N-O 3.1Å; F389-Y400 PolarHBondContact O-N 3.28Å; F389-N401 WeakPolarHBondContact CE1-O 3.35Å; F389-Y402 HydrophobicContact CB-CE1 4.42Å; F389-Y402 AromaticContact CD1-CD1 3.91Å; F389-Y402 HydrophobicContact CD1-CD1 3.91Å; F389-Y402 AromaticContact CD1-CE1 4Å; F389-Y402 HydrophobicContact CD1-CE1 4Å; F389-Y402 HydrophobicContact CE1-CD1 4.4Å; F389-V404 HydrophobicContact CZ-CG1 4.34Å
390A96.1Very high91.9Very high2 Ų224.2 Ų24.22%0.01712%0.123CC..EExtended strand (participates in β ladder)trans-118.8132.4179.500000109.5I382 S383 V397 Y398 V399 M427I382-A390 WeakPolarHBondContact CA-O 3.38Å; S383-A390 PolarHBondContact N-O 2.87Å; S383-A390 PolarHBondContact O-N 2.73Å; A390-V397 HydrophobicContact CB-CG1 3.89Å; A390-Y398 CarbonylContact C-O 3.57Å; A390-Y398 VanDerWaalsContact CA-O 3.26Å; A390-Y398 WeakPolarHBondContact CA-O 3.39Å; A390-V399 HydrophobicContact CB-CG2 4.35Å; A390-M427 HydrophobicContact CB-CE 4.03Å; A390-M427 HydrophobicContact CB-SD 4.18Å
391L94.2Very high92.5Very high3 Ų324.7 Ų24.72%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-106.4120.5171.6-56.3-177.3000108.2V353 C358 L374 V379 I382 F389 V397 Y398 Y400V353-L391 HydrophobicContact CG2-CD1 4.43Å; V353-L391 HydrophobicContact CG2-CD2 4.01Å; C358-L391 HydrophobicContact CB-CD1 4.28Å; L374-L391 HydrophobicContact CD2-CD1 3.94Å; V379-L391 HydrophobicContact CG1-CB 4.32Å; V379-L391 HydrophobicContact CG1-CD2 4.35Å; I382-L391 HydrophobicContact CB-CD2 4.29Å; I382-L391 HydrophobicContact CD1-CD2 4.31Å; I382-L391 HydrophobicContact CG1-CD2 3.75Å; I382-L391 HydrophobicContact CG2-CD2 4.01Å; F389-L391 HydrophobicContact CD2-CD2 3.93Å; F389-L391 HydrophobicContact CD2-CG 4.07Å; F389-L391 HydrophobicContact CE2-CD1 4.1Å; F389-L391 HydrophobicContact CE2-CD2 3.99Å; F389-L391 HydrophobicContact CE2-CG 3.88Å; L391-V397 CarbonylContact O-C 3.56Å; L391-V397 WeakPolarHBondContact O-CA 2.95Å; L391-Y398 PolarHBondContact N-O 3.04Å; L391-Y398 PolarHBondContact O-N 2.89Å; L391-Y400 HydrophobicContact CD1-CD2 4.35Å; L391-Y400 HydrophobicContact CD1-CE2 3.93Å; L391-Y400 HydrophobicContact CG-CD2 4.32Å; L391-Y400 HydrophobicContact CG-CE2 4.19Å
392A90.4Very high92.8Very high2 Ų223.6 Ų23.62%0.01712%0.119CC..EExtended strand (participates in β ladder)trans-91.9126.5166.500000108.5V379 T380 H381 V397 I420V379-A392 CarbonylContact C-O 3.59Å; V379-A392 WeakPolarHBondContact CA-O 3.15Å; V379-A392 WeakPolarHBondContact CG1-O 3.35Å; T380-A392 PolarHBondContact N-O 3.18Å; T380-A392 PolarHBondContact OG1-O 2.93Å; H381-A392 HydrophobicContact CB-CB 4.19Å; H381-A392 PolarHBondContact N-O 3.08Å; H381-A392 PolarHBondContact O-N 2.87Å; A392-V397 HydrophobicContact CB-CG2 4.14Å; A392-I420 HydrophobicContact CB-CB 3.95Å; A392-I420 HydrophobicContact CB-CD1 4.04Å; A392-I420 HydrophobicContact CB-CG2 3.89Å
393D82.4Confident92.8Very high10 Ų1027.8 Ų27.85%0.05314%0.141CC..  trans-114.6-167.2169.768.911.9000110.7E376 S378 V379 S395 S396 Y398 A417 E418E376-D393 HydrophobicContact CB-CB 4.42Å; S378-D393 WeakPolarHBondContact O-CA 3.33Å; V379-D393 HydrophobicContact CG2-CB 4.47Å; D393-S395 PolarHBondContact O-N 2.7Å; D393-S395 WeakPolarHBondContact OD1-CA 3.39Å; D393-S395 WeakPolarHBondContact OD1-CB 3.34Å; D393-S395 PolarHBondContact OD1-N 3.21Å; D393-S395 PolarHBondContact OD1-OG 3.19Å; D393-S395 PolarHBondContact OD2-OG 2.95Å; D393-S396 PolarHBondContact N-O 2.91Å; D393-S396 VanDerWaalsContact N-O 3.08Å; D393-S396 PolarHBondContact OD1-N 2.87Å; D393-Y398 WeakPolarHBondContact OD2-CE2 3.44Å; D393-A417 CarbonylContact O-C 3.57Å; D393-A417 WeakPolarHBondContact O-CB 3.13Å; D393-E418 PolarHBondContact O-N 2.71Å
394G72.9Confident92.7Very high25 Ų2527.7 Ų27.726%0.25814%0.14SC..SBendtrans-66.9-19.7177.100000113.6
395S79Confident92.6Very high29 Ų2935.1 Ų35.120%0.20317%0.167CC..SBendtrans-101.9-42.2-169.7790000114.3E376 D393 Y398E376-S395 WeakPolarHBondContact OE1-CB 3.39Å; D393-S395 PolarHBondContact O-N 2.7Å; D393-S395 WeakPolarHBondContact OD1-CA 3.39Å; D393-S395 WeakPolarHBondContact OD1-CB 3.34Å; D393-S395 PolarHBondContact OD1-N 3.21Å; D393-S395 PolarHBondContact OD1-OG 3.19Å; D393-S395 PolarHBondContact OD2-OG 2.95Å; S395-Y398 PolarHBondContact OG-OH 3.11Å
396S87.3Confident92.5Very high3 Ų339.5 Ų39.52%0.02119%0.19CC..  trans-166170-166.2-168.70000111.5D393 S409 L410 K411D393-S396 PolarHBondContact N-O 2.91Å; D393-S396 VanDerWaalsContact N-O 3.08Å; D393-S396 PolarHBondContact OD1-N 2.87Å; S396-S409 PolarHBondContact OG-OG 2.86Å; S396-L410 PolarHBondContact OG-O 3.01Å; S396-K411 WeakPolarHBondContact OG-CG 3.4Å
397V92.4Very high92.5Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-98.6131.2163.9-175.60000109.7A390 L391 A392 S409 L410 I420 I425 I434A390-V397 HydrophobicContact CB-CG1 3.89Å; L391-V397 CarbonylContact O-C 3.56Å; L391-V397 WeakPolarHBondContact O-CA 2.95Å; A392-V397 HydrophobicContact CB-CG2 4.14Å; V397-S409 CarbonylContact O-C 3.55Å; V397-S409 WeakPolarHBondContact O-CA 3.46Å; V397-L410 HydrophobicContact CB-CB 4.19Å; V397-L410 HydrophobicContact CB-CD1 4.27Å; V397-L410 HydrophobicContact CB-CG 4.49Å; V397-L410 HydrophobicContact CG1-CD1 4.24Å; V397-L410 PolarHBondContact O-N 3.05Å; V397-I420 HydrophobicContact CG2-CD1 3.24Å; V397-I425 HydrophobicContact CG1-CD1 4.03Å; V397-I425 HydrophobicContact CG2-CD1 4.42Å; V397-I434 HydrophobicContact CG2-CD1 4.15Å
398Y93.4Very high92.5Very high36 Ų3631.8 Ų31.814%0.14116%0.158CC..EExtended strand (participates in β ladder)trans-116.1124.7179.5-63.1-89.2000110.1A390 L391 D393 S395 Y400 L406A390-Y398 CarbonylContact C-O 3.57Å; A390-Y398 VanDerWaalsContact CA-O 3.26Å; A390-Y398 WeakPolarHBondContact CA-O 3.39Å; L391-Y398 PolarHBondContact N-O 3.04Å; L391-Y398 PolarHBondContact O-N 2.89Å; D393-Y398 WeakPolarHBondContact OD2-CE2 3.44Å; S395-Y398 PolarHBondContact OG-OH 3.11Å; Y398-Y400 VanDerWaalsContact CB-CE2 3.46Å; Y398-L406 HydrophobicContact CD1-CD1 3.89Å; Y398-L406 HydrophobicContact CD1-CD2 4.42Å; Y398-L406 HydrophobicContact CG-CD1 4.36Å
399V96.4Very high92.2Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-102.7125.8-177.9-175.30000109.2Y388 F389 A390 I407 C408 L410 I432 P448Y388-V399 HydrophobicContact CD1-CG1 4.46Å; Y388-V399 HydrophobicContact CG-CG1 4.2Å; F389-V399 WeakPolarHBondContact O-CA 3.43Å; A390-V399 HydrophobicContact CB-CG2 4.35Å; V399-I407 WeakPolarHBondContact O-CB 3.19Å; V399-I407 PolarHBondContact O-N 3.32Å; V399-C408 PolarHBondContact N-O 3.3Å; V399-C408 PolarHBondContact O-N 2.93Å; V399-L410 HydrophobicContact CG2-CD1 4.37Å; V399-L410 HydrophobicContact CG2-CG 4.44Å; V399-I432 HydrophobicContact CG1-CD1 4.4Å; V399-I432 HydrophobicContact CG2-CD1 3.45Å; V399-I432 VanDerWaalsContact CG2-CD1 3.45Å; V399-P448 HydrophobicContact CG1-CB 4.29Å
400Y97.2Very high91.8Very high23 Ų2332.1 Ų32.19%0.0917%0.166CC..EExtended strand (participates in β ladder)trans-120.4154.1-179.9-63.5-93.6000110.5Y388 F389 L391 Y398 V404 R405 L406Y388-Y400 CarbonylContact C-O 3.55Å; Y388-Y400 WeakPolarHBondContact CA-O 3.39Å; Y388-Y400 WeakPolarHBondContact CB-O 3.43Å; F389-Y400 HydrophobicContact CD2-CD2 4.38Å; F389-Y400 HydrophobicContact CE1-CG 4.47Å; F389-Y400 AromaticContact CE2-CD2 3.78Å; F389-Y400 HydrophobicContact CE2-CD2 3.78Å; F389-Y400 AromaticContact CE2-CG 4Å; F389-Y400 HydrophobicContact CE2-CG 4Å; F389-Y400 HydrophobicContact CZ-CD2 4.13Å; F389-Y400 AromaticContact CZ-CG 3.86Å; F389-Y400 HydrophobicContact CZ-CG 3.86Å; F389-Y400 PolarHBondContact N-O 3.1Å; F389-Y400 PolarHBondContact O-N 3.28Å; L391-Y400 HydrophobicContact CD1-CD2 4.35Å; L391-Y400 HydrophobicContact CD1-CE2 3.93Å; L391-Y400 HydrophobicContact CG-CD2 4.32Å; L391-Y400 HydrophobicContact CG-CE2 4.19Å; Y398-Y400 VanDerWaalsContact CB-CE2 3.46Å; Y400-V404 HydrophobicContact CD1-CG1 4.29Å; Y400-R405 WeakPolarHBondContact CA-O 3.34Å; Y400-L406 HydrophobicContact CD1-CB 4.04Å; Y400-L406 HydrophobicContact CD1-CD1 4.27Å; Y400-L406 HydrophobicContact CD2-CD1 4.5Å; Y400-L406 HydrophobicContact CE1-CB 3.7Å; Y400-L406 HydrophobicContact CE1-CD1 3.8Å; Y400-L406 HydrophobicContact CE1-CG 4.34Å; Y400-L406 HydrophobicContact CE2-CD1 4.08Å
401N97Very high91Very high29 Ų2939 Ų3916%0.15520%0.196CC..EExtended strand (participates in β ladder)trans-84.6172.6158.678.2-15.3000110.3Y388 F389 D403 V404 R405 I407Y388-N401 HydrophobicContact CD1-CB 4.27Å; F389-N401 WeakPolarHBondContact CE1-O 3.35Å; N401-D403 PolarHBondContact ND2-OD2 2.84Å; N401-D403 PolarHBondContact O-N 2.86Å; N401-D403 PolarHBondContact OD1-N 2.83Å; N401-V404 WeakPolarHBondContact O-CA 3.05Å; N401-V404 PolarHBondContact O-N 3.02Å; N401-V404 PolarHBondContact OD1-N 2.88Å; N401-R405 PolarHBondContact N-O 3.46Å; N401-R405 VanDerWaalsContact N-O 3.13Å; N401-R405 WeakPolarHBondContact OD1-CB 3.29Å; N401-R405 PolarHBondContact OD1-N 2.79Å; N401-R405 PolarHBondContact OD1-O 3.01Å; N401-I407 HydrophobicContact CB-CD1 4.3Å; N401-I407 HydrophobicContact CB-CG1 4.45Å
402Y97.4Very high90.2Very high15 Ų1541.8 Ų41.86%0.05921%0.209CC..THydrogen-bonded Turntrans-73.2-8.4-179.3-69.8-72.1000115.5Y349 I351 V360 C385 Q386 F389 V404Y349-Y402 VanDerWaalsContact CB-CE1 3.4Å; Y349-Y402 AromaticContact CD1-CD1 3.58Å; Y349-Y402 HydrophobicContact CD1-CD1 3.58Å; Y349-Y402 HydrophobicContact CD1-CE1 4.17Å; Y349-Y402 AromaticContact CD1-CG 3.91Å; Y349-Y402 HydrophobicContact CD1-CG 3.91Å; Y349-Y402 AromaticContact CD2-CD1 3.44Å; Y349-Y402 HydrophobicContact CD2-CD1 3.44Å; Y349-Y402 VanDerWaalsContact CD2-CD1 3.44Å; Y349-Y402 AromaticContact CD2-CD2 3.75Å; Y349-Y402 HydrophobicContact CD2-CD2 3.75Å; Y349-Y402 AromaticContact CD2-CE1 3.34Å; Y349-Y402 HydrophobicContact CD2-CE1 3.34Å; Y349-Y402 AromaticContact CD2-CE2 3.66Å; Y349-Y402 HydrophobicContact CD2-CE2 3.66Å; Y349-Y402 AromaticContact CD2-CG 3.62Å; Y349-Y402 HydrophobicContact CD2-CG 3.62Å; Y349-Y402 AromaticContact CD2-CZ 3.43Å; Y349-Y402 VanDerWaalsContact CD2-CZ 3.43Å; Y349-Y402 HydrophobicContact CE1-CD1 4.02Å; Y349-Y402 AromaticContact CE1-CG 3.83Å; Y349-Y402 HydrophobicContact CE1-CG 3.83Å; Y349-Y402 AromaticContact CE2-CD1 3.9Å; Y349-Y402 HydrophobicContact CE2-CD1 3.9Å; Y349-Y402 AromaticContact CE2-CD2 3.49Å; Y349-Y402 HydrophobicContact CE2-CD2 3.49Å; Y349-Y402 VanDerWaalsContact CE2-CD2 3.49Å; Y349-Y402 HydrophobicContact CE2-CE1 4.12Å; Y349-Y402 AromaticContact CE2-CE2 3.74Å; Y349-Y402 HydrophobicContact CE2-CE2 3.74Å; Y349-Y402 AromaticContact CE2-CG 3.55Å; Y349-Y402 HydrophobicContact CE2-CG 3.55Å; Y349-Y402 AromaticContact CG-CD1 3.27Å; Y349-Y402 HydrophobicContact CG-CD1 3.27Å; Y349-Y402 HydrophobicContact CG-CD2 4.4Å; Y349-Y402 AromaticContact CG-CE1 3.37Å; Y349-Y402 HydrophobicContact CG-CE1 3.37Å; Y349-Y402 HydrophobicContact CG-CE2 4.47Å; Y349-Y402 AromaticContact CG-CG 3.8Å; Y349-Y402 HydrophobicContact CG-CG 3.8Å; Y349-Y402 AromaticContact CG-CZ 3.98Å; Y349-Y402 AromaticContact CZ-CD2 3.94Å; Y349-Y402 AromaticContact CZ-CG 3.65Å; I351-Y402 HydrophobicContact CD1-CE1 4.13Å; V360-Y402 HydrophobicContact CG1-CD1 3.9Å; C385-Y402 VanDerWaalsContact O-CE2 3.31Å; C385-Y402 WeakPolarHBondContact O-CE2 3.44Å; C385-Y402 PolarHBondContact O-OH 2.9Å; Q386-Y402 WeakPolarHBondContact O-CE2 3.47Å; F389-Y402 HydrophobicContact CB-CE1 4.42Å; F389-Y402 AromaticContact CD1-CD1 3.91Å; F389-Y402 HydrophobicContact CD1-CD1 3.91Å; F389-Y402 AromaticContact CD1-CE1 4Å; F389-Y402 HydrophobicContact CD1-CE1 4Å; F389-Y402 HydrophobicContact CE1-CD1 4.4Å; Y402-V404 PolarHBondContact O-N 3.16Å
403D95.2Very high88.9Confident101 Ų10144.5 Ų44.554%0.5423%0.231SC..THydrogen-bonded Turntrans-85.79.8164.4-51.8-51.2000112N401 R405N401-D403 PolarHBondContact ND2-OD2 2.84Å; N401-D403 PolarHBondContact O-N 2.86Å; N401-D403 PolarHBondContact OD1-N 2.83Å; D403-R405 PolarHBondContact O-N 3.05Å
404V93.8Very high88.7Confident13 Ų1346.6 Ų46.68%0.07924%0.242CC..  trans6130.7175.7-153.50000113.4V360 T370 V372 F389 Y400 N401 Y402V360-V404 HydrophobicContact CB-CG2 3.82Å; V360-V404 HydrophobicContact CG2-CG2 3.54Å; T370-V404 HydrophobicContact CG2-CB 3.94Å; T370-V404 HydrophobicContact CG2-CG2 3.44Å; T370-V404 VanDerWaalsContact CG2-CG2 3.44Å; V372-V404 HydrophobicContact CB-CB 4.35Å; V372-V404 HydrophobicContact CB-CG1 3.34Å; V372-V404 HydrophobicContact CG1-CG1 3.16Å; V372-V404 HydrophobicContact CG2-CG1 4.24Å; F389-V404 HydrophobicContact CZ-CG1 4.34Å; Y400-V404 HydrophobicContact CD1-CG1 4.29Å; N401-V404 WeakPolarHBondContact O-CA 3.05Å; N401-V404 PolarHBondContact O-N 3.02Å; N401-V404 PolarHBondContact OD1-N 2.88Å; Y402-V404 PolarHBondContact O-N 3.16Å
405R95.1Very high89Confident172 Ų17245.7 Ų45.765%0.64923%0.231SC*.  trans-86.2124.4168.4-61.5-179.1178.5169.80.8109.1Y400 N401 D403 I407Y400-R405 WeakPolarHBondContact CA-O 3.34Å; N401-R405 PolarHBondContact N-O 3.46Å; N401-R405 VanDerWaalsContact N-O 3.13Å; N401-R405 WeakPolarHBondContact OD1-CB 3.29Å; N401-R405 PolarHBondContact OD1-N 2.79Å; N401-R405 PolarHBondContact OD1-O 3.01Å; D403-R405 PolarHBondContact O-N 3.05Å; R405-I407 PolarHBondContact O-N 2.9Å
406L94.8Very high89Confident91 Ų9146.8 Ų46.848%0.47623%0.233SC..EExtended strand (participates in β ladder)trans-64.7119.4172.8-178.968.1000109.4Y398 Y400 C408Y398-L406 HydrophobicContact CD1-CD1 3.89Å; Y398-L406 HydrophobicContact CD1-CD2 4.42Å; Y398-L406 HydrophobicContact CG-CD1 4.36Å; Y400-L406 HydrophobicContact CD1-CB 4.04Å; Y400-L406 HydrophobicContact CD1-CD1 4.27Å; Y400-L406 HydrophobicContact CD2-CD1 4.5Å; Y400-L406 HydrophobicContact CE1-CB 3.7Å; Y400-L406 HydrophobicContact CE1-CD1 3.8Å; Y400-L406 HydrophobicContact CE1-CG 4.34Å; Y400-L406 HydrophobicContact CE2-CD1 4.08Å; L406-C408 WeakPolarHBondContact CD1-O 3.41Å
407I96.5Very high88.6Confident63 Ų6346.7 Ų46.732%0.32323%0.232SC..EExtended strand (participates in β ladder)trans-89.3-52.3178.2-55.8-58.4000110Y388 V399 N401 R405 P448 S449Y388-I407 HydrophobicContact CD1-CG1 4.1Å; Y388-I407 HydrophobicContact CE1-CD1 4.46Å; Y388-I407 HydrophobicContact CE1-CG1 3.97Å; V399-I407 WeakPolarHBondContact O-CB 3.19Å; V399-I407 PolarHBondContact O-N 3.32Å; N401-I407 HydrophobicContact CB-CD1 4.3Å; N401-I407 HydrophobicContact CB-CG1 4.45Å; R405-I407 PolarHBondContact O-N 2.9Å; I407-P448 VanDerWaalsContact CG2-O 3.27Å; I407-P448 WeakPolarHBondContact CG2-O 2.96Å; I407-S449 VanDerWaalsContact CG2-O 3.31Å; I407-S449 WeakPolarHBondContact CG2-O 3.4Å
408C94.9Very high87.8Confident12 Ų1252.2 Ų52.28%0.08126%0.258CS..EExtended strand (participates in β ladder)trans-155165.9178.667.60000112.8V399 L406 P448 G451V399-C408 PolarHBondContact N-O 3.3Å; V399-C408 PolarHBondContact O-N 2.93Å; L406-C408 WeakPolarHBondContact CD1-O 3.41Å; C408-P448 PolarHBondContact SG-O 3.34Å; C408-G451 WeakPolarHBondContact SG-CA 3.33Å
409S92Very high87.2Confident42 Ų4252.6 Ų52.629%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-124.7122.5174170.80000108.5S396 V397 K411S396-S409 PolarHBondContact OG-OG 2.86Å; V397-S409 CarbonylContact O-C 3.55Å; V397-S409 WeakPolarHBondContact O-CA 3.46Å; S409-K411 PolarHBondContact O-N 3.2Å; S409-K411 WeakPolarHBondContact OG-CE 3.5Å
410L90.5Very high86.7Confident4 Ų452.9 Ų52.92%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-9195-177.6-52.3178.1000109.4S396 V397 V399 I432 I434 F446S396-L410 PolarHBondContact OG-O 3.01Å; V397-L410 HydrophobicContact CB-CB 4.19Å; V397-L410 HydrophobicContact CB-CD1 4.27Å; V397-L410 HydrophobicContact CB-CG 4.49Å; V397-L410 HydrophobicContact CG1-CD1 4.24Å; V397-L410 PolarHBondContact O-N 3.05Å; V399-L410 HydrophobicContact CG2-CD1 4.37Å; V399-L410 HydrophobicContact CG2-CG 4.44Å; L410-I432 HydrophobicContact CD1-CB 4.45Å; L410-I432 HydrophobicContact CD1-CD1 3.94Å; L410-I432 HydrophobicContact CD1-CG2 3.88Å; L410-I434 HydrophobicContact CD1-CD1 3.9Å; L410-F446 HydrophobicContact CD1-CB 4.43Å; L410-F446 HydrophobicContact CD1-CD2 4.17Å; L410-F446 HydrophobicContact CD1-CG 4.31Å; L410-F446 HydrophobicContact CD2-CB 3.92Å; L410-F446 HydrophobicContact CD2-CD1 4.03Å; L410-F446 HydrophobicContact CD2-CG 3.91Å
411K78.1Confident86.2Confident147 Ų14752.5 Ų52.564%0.63926%0.263SS*.  trans-105106.4174.8-67.1-175.6-179.6-174.50109.7S396 S409S396-K411 WeakPolarHBondContact OG-CG 3.4Å; S409-K411 PolarHBondContact O-N 3.2Å; S409-K411 WeakPolarHBondContact OG-CE 3.5Å
412H76.8Confident85.8Confident61 Ų6154 Ų5428%0.28228%0.279SS..  trans-124.8152.2172.7-158.368.6000110.6N414 I415 H444 F446H412-N414 VanDerWaalsContact C-N 3.35Å; H412-N414 PolarHBondContact O-N 2.76Å; H412-I415 HydrophobicContact CB-CB 4.18Å; H412-I415 HydrophobicContact CB-CD1 3.64Å; H412-I415 HydrophobicContact CB-CG1 3.87Å; H412-H444 AromaticContact CD2-CE1 3.65Å; H412-H444 AromaticContact CD2-ND1 3.89Å; H412-H444 AromaticContact CD2-NE2 3.98Å; H412-H444 AromaticContact NE2-CE1 3.37Å; H412-H444 PolarHBondContact NE2-CE1 2.81Å; H412-H444 AromaticContact NE2-ND1 3.7Å; H412-F446 HydrophobicContact CB-CZ 4.41Å
413A64.7Low85.6Confident58 Ų5855.5 Ų55.548%0.47929%0.288SS..THydrogen-bonded Turntrans-66.5-38.4-174.800000112.1
414N77.9Confident85.4Confident55 Ų5550.9 Ų50.929%0.29426%0.264SS..THydrogen-bonded Turntrans-95.84-174.4-54.6-3.6000113.9H412 D436 Q437 L438H412-N414 VanDerWaalsContact C-N 3.35Å; H412-N414 PolarHBondContact O-N 2.76Å; N414-D436 WeakPolarHBondContact CB-OD2 3.48Å; N414-D436 PolarHBondContact ND2-OD2 3.44Å; N414-Q437 PolarHBondContact O-N 3.29Å; N414-L438 HydrophobicContact CB-CD1 4.38Å
415I79.3Confident85.5Confident6 Ų650.6 Ų50.63%0.03126%0.262CS..  trans-99.5108.2174.8-62.3175.8000107.4H412 I420 I434 H444 F446H412-I415 HydrophobicContact CB-CB 4.18Å; H412-I415 HydrophobicContact CB-CD1 3.64Å; H412-I415 HydrophobicContact CB-CG1 3.87Å; I415-I420 HydrophobicContact CG2-CD1 3.99Å; I415-I434 HydrophobicContact CD1-CB 4.03Å; I415-I434 HydrophobicContact CD1-CD1 3.97Å; I415-I434 HydrophobicContact CD1-CG2 3.88Å; I415-I434 HydrophobicContact CG1-CG2 3.96Å; I415-I434 HydrophobicContact CG2-CG2 3.9Å; I415-H444 HydrophobicContact CD1-CB 4.32Å; I415-F446 HydrophobicContact CD1-CE2 3.69Å; I415-F446 HydrophobicContact CD1-CZ 3.75Å
416H79.2Confident85.6Confident51 Ų5142.8 Ų42.824%0.23623%0.234CC..  trans-93.799.7172.2-65.1-88.8000108.6E418 Q419 Q437H416-E418 PolarHBondContact O-N 3.4Å; H416-Q419 HydrophobicContact CB-CB 4.47Å; H416-Q419 PolarHBondContact O-N 3.05Å; H416-Q419 VanDerWaalsContact O-N 3.09Å; H416-Q437 HydrophobicContact CB-CB 4.47Å; H416-Q437 HydrophobicContact CB-CG 4.14Å
417A78.1Confident85.7Confident1 Ų138.6 Ų38.61%0.00821%0.212CC..G310 helixtrans-64.7-28.3-172.100000113.2T380 D393 Q419 I420T380-A417 PolarHBondContact OG1-O 2.98Å; D393-A417 CarbonylContact O-C 3.57Å; D393-A417 WeakPolarHBondContact O-CB 3.13Å; A417-Q419 PolarHBondContact O-N 3.25Å; A417-I420 HydrophobicContact CB-CD1 4.17Å; A417-I420 WeakPolarHBondContact O-CB 3.41Å; A417-I420 PolarHBondContact O-N 3.42Å; A417-I420 VanDerWaalsContact O-N 3.13Å
418E75.4Confident85.7Confident116 Ų11635.6 Ų35.654%0.54220%0.196SC..G310 helixtrans-60.8-30.9173.6-170.6171.7-171.800113.3D393 H416D393-E418 PolarHBondContact O-N 2.71Å; H416-E418 PolarHBondContact O-N 3.4Å
419Q80.2Confident85.8Confident45 Ų4536.3 Ų36.321%0.2120%0.199CC..G310 helixtrans-955.9-179.4-67174.3-21.700112.6H416 A417 C421 Q437H416-Q419 HydrophobicContact CB-CB 4.47Å; H416-Q419 PolarHBondContact O-N 3.05Å; H416-Q419 VanDerWaalsContact O-N 3.09Å; A417-Q419 PolarHBondContact O-N 3.25Å; Q419-C421 PolarHBondContact O-N 2.89Å; Q419-Q437 VanDerWaalsContact CB-CD 3.46Å; Q419-Q437 PolarHBondContact O-NE2 2.95Å
420I87Confident85.9Confident5 Ų535.5 Ų35.53%0.02619%0.192CC..  trans-72.3123.1178-70.1177000109.6H381 A392 V397 I415 A417 S424 I425H381-I420 HydrophobicContact CB-CG2 4.15Å; A392-I420 HydrophobicContact CB-CB 3.95Å; A392-I420 HydrophobicContact CB-CD1 4.04Å; A392-I420 HydrophobicContact CB-CG2 3.89Å; V397-I420 HydrophobicContact CG2-CD1 3.24Å; I415-I420 HydrophobicContact CG2-CD1 3.99Å; A417-I420 HydrophobicContact CB-CD1 4.17Å; A417-I420 WeakPolarHBondContact O-CB 3.41Å; A417-I420 PolarHBondContact O-N 3.42Å; A417-I420 VanDerWaalsContact O-N 3.13Å; I420-S424 WeakPolarHBondContact CA-OG 3.39Å; I420-I425 HydrophobicContact CG2-CB 3.97Å; I420-I425 HydrophobicContact CG2-CG2 3.51Å
421C87.1Confident86.2Confident16 Ų1635.3 Ų35.311%0.10819%0.191CC..  trans-121.4174.3170.8710000111.2I202 Q419 D423 S424 I425I202-C421 HydrophobicContact CG2-CB 3.74Å; I202-C421 VanDerWaalsContact CG2-SG 3.55Å; Q419-C421 PolarHBondContact O-N 2.89Å; C421-D423 PolarHBondContact O-N 2.84Å; C421-D423 VanDerWaalsContact O-N 3.14Å; C421-S424 PolarHBondContact N-OG 2.93Å; C421-S424 PolarHBondContact O-N 2.84Å; C421-S424 PolarHBondContact O-OG 3.16Å; C421-I425 PolarHBondContact O-N 3.02Å
422A89.1Confident87.1Confident59 Ų5928.3 Ų28.349%0.48816%0.16SC..THydrogen-bonded Turntrans-55.7-31.5-178.700000114.2H381H381-A422 VanDerWaalsContact CE1-CA 3.43Å; H381-A422 WeakPolarHBondContact CE1-CA 3.22Å
423D91.7Very high88Confident47 Ų4725.4 Ų25.425%0.25115%0.147SC..THydrogen-bonded Turntrans-85.3-11.9179.6-65.2-38.7000113.3C421 K468 I469C421-D423 PolarHBondContact O-N 2.84Å; C421-D423 VanDerWaalsContact O-N 3.14Å; D423-K468 HydrophobicContact CB-CB 4.07Å; D423-K468 HydrophobicContact CB-CG 4.07Å; D423-K468 WeakPolarHBondContact OD1-CD 3.38Å; D423-K468 WeakPolarHBondContact OD1-CE 3.21Å; D423-K468 VanDerWaalsContact OD1-CG 3.29Å; D423-K468 WeakPolarHBondContact OD1-CG 3.22Å; D423-K468 IonicContact OD1-NZ 3.29Å; D423-I469 PolarHBondContact O-N 2.87Å
424S91.3Very high89.5Confident5 Ų522.7 Ų22.74%0.03512%0.124CC..THydrogen-bonded Turntrans-94.7-21.6-175.874.20000114.3I420 C421 I434 K435I420-S424 WeakPolarHBondContact CA-OG 3.39Å; C421-S424 PolarHBondContact N-OG 2.93Å; C421-S424 PolarHBondContact O-N 2.84Å; C421-S424 PolarHBondContact O-OG 3.16Å; S424-I434 WeakPolarHBondContact O-CA 3.27Å; S424-K435 PolarHBondContact O-N 3.02Å
425I95.3Very high90.3Very high6 Ų621.3 Ų21.33%0.03112%0.116CC..EExtended strand (participates in β ladder)trans-128.7140.1-179.7-174.7165.7000110H381 V397 I420 C421 I432 G433 I434H381-I425 VanDerWaalsContact CD2-CG2 3.46Å; H381-I425 WeakPolarHBondContact CD2-CG2 3.41Å; V397-I425 HydrophobicContact CG1-CD1 4.03Å; V397-I425 HydrophobicContact CG2-CD1 4.42Å; I420-I425 HydrophobicContact CG2-CB 3.97Å; I420-I425 HydrophobicContact CG2-CG2 3.51Å; C421-I425 PolarHBondContact O-N 3.02Å; I425-I432 HydrophobicContact CD1-CG2 4.34Å; I425-I432 HydrophobicContact CG1-CG2 4.37Å; I425-G433 CarbonylContact C-O 3.56Å; I425-G433 WeakPolarHBondContact CA-O 3.22Å; I425-I434 HydrophobicContact CB-CG1 4.28Å; I425-I434 HydrophobicContact CD1-CD1 4Å; I425-I434 HydrophobicContact CD1-CG1 3.85Å; I425-I434 HydrophobicContact CG1-CD1 4.47Å; I425-I434 HydrophobicContact CG1-CG1 3.77Å
426T97.1Very high90.9Very high9 Ų921.1 Ų21.16%0.05512%0.115CC..EExtended strand (participates in β ladder)trans-138.9149.7171.5-174.40000109.5I432 G433 I469 S470 L471 L482T426-I432 CarbonylContact O-C 3.51Å; T426-I432 WeakPolarHBondContact O-CA 3.42Å; T426-G433 PolarHBondContact N-O 2.85Å; T426-G433 PolarHBondContact O-N 2.89Å; T426-I469 HydrophobicContact CG2-CB 4.33Å; T426-I469 HydrophobicContact CG2-CD1 3.76Å; T426-I469 HydrophobicContact CG2-CG1 3.87Å; T426-S470 WeakPolarHBondContact OG1-CA 3.41Å; T426-L471 HydrophobicContact CG2-CB 4.48Å; T426-L471 HydrophobicContact CG2-CD1 3.84Å; T426-L471 HydrophobicContact CG2-CG 3.68Å; T426-L471 PolarHBondContact OG1-N 3.21Å; T426-L482 HydrophobicContact CG2-CD1 4.06Å
427M96.8Very high90.9Very high2 Ų220 Ų201%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-142.2144.3-177.5-178.1165.862.900111.1S383 C385 Y388 A390 V431 I432 Q473S383-M427 VanDerWaalsContact O-CE 3.28Å; S383-M427 WeakPolarHBondContact O-CE 3.47Å; C385-M427 HydrophobicContact CB-CE 4.25Å; C385-M427 HydrophobicContact CB-CG 4.11Å; Y388-M427 WeakPolarHBondContact O-CE 3.19Å; A390-M427 HydrophobicContact CB-CE 4.03Å; A390-M427 HydrophobicContact CB-SD 4.18Å; M427-V431 CarbonylContact C-O 3.49Å; M427-V431 WeakPolarHBondContact CA-O 3.26Å; M427-I432 HydrophobicContact CB-CG1 4.09Å; M427-I432 HydrophobicContact CG-CD1 4.33Å; M427-I432 HydrophobicContact CG-CG1 3.6Å; M427-I432 HydrophobicContact SD-CD1 3.71Å; M427-I432 HydrophobicContact SD-CG1 3.66Å; M427-Q473 PolarHBondContact O-NE2 2.89Å
428S97.1Very high91.2Very high0 Ų024.4 Ų24.40%013%0.132CC..  trans-126.5-173.9165.470.70000109.1C385 D430 V431 R480C385-S428 VanDerWaalsContact SG-C 3.54Å; C385-S428 PolarHBondContact SG-O 2.87Å; S428-D430 PolarHBondContact O-N 2.92Å; S428-D430 VanDerWaalsContact O-N 3.12Å; S428-D430 PolarHBondContact OG-N 2.87Å; S428-D430 PolarHBondContact OG-OD1 3.18Å; S428-V431 PolarHBondContact N-O 3.43Å; S428-V431 PolarHBondContact OG-N 2.83Å; S428-V431 VanDerWaalsContact OG-N 3.09Å; S428-V431 PolarHBondContact OG-O 3.28Å; S428-R480 WeakPolarHBondContact OG-CD 3.22Å; S428-R480 PolarHBondContact OG-NE 2.86Å
429N96.3Very high91.8Very high27 Ų2722.2 Ų22.214%0.14413%0.125CC..SBendtrans-64.7-13.2178.4-71.8-30.5000115Q386 K387Q386-N429 WeakPolarHBondContact CB-OD1 3.34Å; Q386-N429 PolarHBondContact N-OD1 2.87Å; Q386-N429 PolarHBondContact OE1-ND2 2.94Å; K387-N429 WeakPolarHBondContact CB-OD1 3.36Å; K387-N429 HydrophobicContact CD-CB 4.14Å; K387-N429 HydrophobicContact CG-CB 4.41Å; K387-N429 WeakPolarHBondContact CG-OD1 3.16Å; K387-N429 PolarHBondContact N-OD1 2.72Å
430D95.6Very high92.2Very high25 Ų2522.1 Ų22.113%0.13412%0.124CC..SBendtrans-142.4-11.1-165.563.7-54.1000113.8S428 P448 S477 R480S428-D430 PolarHBondContact O-N 2.92Å; S428-D430 VanDerWaalsContact O-N 3.12Å; S428-D430 PolarHBondContact OG-N 2.87Å; S428-D430 PolarHBondContact OG-OD1 3.18Å; D430-P448 VanDerWaalsContact O-CD 3.23Å; D430-P448 WeakPolarHBondContact O-CD 3.41Å; D430-S477 WeakPolarHBondContact OD2-CA 3.25Å; D430-S477 WeakPolarHBondContact OD2-CB 3.32Å; D430-S477 PolarHBondContact OD2-OG 2.8Å; D430-R480 IonicContact OD1-CZ 3.99Å; D430-R480 VanDerWaalsContact OD1-CZ 3.23Å; D430-R480 IonicContact OD1-NE 3.68Å; D430-R480 PolarHBondContact OD1-NE 2.82Å; D430-R480 IonicContact OD1-NH2 3.72Å; D430-R480 PolarHBondContact OD1-NH2 2.73Å; D430-R480 IonicContact OD2-NE 2.65Å
431V96.8Very high92.6Very high0 Ų025.6 Ų25.60%014%0.138CC..  trans-140.2135.8179.6-179.10000110.1M427 S428 L445 F446 L454 L471 R480 I496M427-V431 CarbonylContact C-O 3.49Å; M427-V431 WeakPolarHBondContact CA-O 3.26Å; S428-V431 PolarHBondContact N-O 3.43Å; S428-V431 PolarHBondContact OG-N 2.83Å; S428-V431 VanDerWaalsContact OG-N 3.09Å; S428-V431 PolarHBondContact OG-O 3.28Å; V431-L445 HydrophobicContact CG1-CD2 4.06Å; V431-F446 CarbonylContact C-O 3.47Å; V431-F446 WeakPolarHBondContact CA-O 3.15Å; V431-L454 HydrophobicContact CB-CD1 4.02Å; V431-L454 HydrophobicContact CG1-CD1 3.69Å; V431-L454 HydrophobicContact CG2-CD1 3.66Å; V431-L471 HydrophobicContact CB-CD1 3.86Å; V431-L471 HydrophobicContact CG1-CD1 3.8Å; V431-L471 HydrophobicContact CG1-CD2 4.3Å; V431-L471 WeakPolarHBondContact O-CD1 3.34Å; V431-R480 HydrophobicContact CB-CG 4.31Å; V431-R480 HydrophobicContact CG2-CG 3.79Å; V431-I496 HydrophobicContact CG1-CD1 4.49Å; V431-I496 HydrophobicContact CG2-CG2 4.11Å
432I97.1Very high93Very high0 Ų026.1 Ų26.10%014%0.14CC..EExtended strand (participates in β ladder)trans-113.4126.2161.9-66.8170.8000107.5V399 L410 I425 T426 M427 I434 L445 F446 P448V399-I432 HydrophobicContact CG1-CD1 4.4Å; V399-I432 HydrophobicContact CG2-CD1 3.45Å; V399-I432 VanDerWaalsContact CG2-CD1 3.45Å; L410-I432 HydrophobicContact CD1-CB 4.45Å; L410-I432 HydrophobicContact CD1-CD1 3.94Å; L410-I432 HydrophobicContact CD1-CG2 3.88Å; I425-I432 HydrophobicContact CD1-CG2 4.34Å; I425-I432 HydrophobicContact CG1-CG2 4.37Å; T426-I432 CarbonylContact O-C 3.51Å; T426-I432 WeakPolarHBondContact O-CA 3.42Å; M427-I432 HydrophobicContact CB-CG1 4.09Å; M427-I432 HydrophobicContact CG-CD1 4.33Å; M427-I432 HydrophobicContact CG-CG1 3.6Å; M427-I432 HydrophobicContact SD-CD1 3.71Å; M427-I432 HydrophobicContact SD-CG1 3.66Å; I432-I434 HydrophobicContact CG2-CD1 4.05Å; I432-I434 HydrophobicContact CG2-CG1 3.96Å; I432-L445 CarbonylContact O-C 3.52Å; I432-L445 WeakPolarHBondContact O-CA 3.37Å; I432-F446 HydrophobicContact CB-CB 4.34Å; I432-F446 PolarHBondContact N-O 3.25Å; I432-F446 PolarHBondContact O-N 3.05Å; I432-P448 HydrophobicContact CD1-CB 3.76Å; I432-P448 HydrophobicContact CG1-CB 4.03Å
433G95.9Very high93.3Very high0 Ų023.3 Ų23.30%012%0.117CC..EExtended strand (participates in β ladder)trans-109.7129.8171.600000110.6I425 T426 H444I425-G433 CarbonylContact C-O 3.56Å; I425-G433 WeakPolarHBondContact CA-O 3.22Å; T426-G433 PolarHBondContact N-O 2.85Å; T426-G433 PolarHBondContact O-N 2.89Å; G433-H444 CarbonylContact C-O 3.17Å; G433-H444 WeakPolarHBondContact CA-O 3.43Å
434I95.8Very high93.5Very high1 Ų121.8 Ų21.81%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-129.4128.5176.3-62.1168.4000109.1V397 L410 I415 S424 I425 I432 H444 F446V397-I434 HydrophobicContact CG2-CD1 4.15Å; L410-I434 HydrophobicContact CD1-CD1 3.9Å; I415-I434 HydrophobicContact CD1-CB 4.03Å; I415-I434 HydrophobicContact CD1-CD1 3.97Å; I415-I434 HydrophobicContact CD1-CG2 3.88Å; I415-I434 HydrophobicContact CG1-CG2 3.96Å; I415-I434 HydrophobicContact CG2-CG2 3.9Å; S424-I434 WeakPolarHBondContact O-CA 3.27Å; I425-I434 HydrophobicContact CB-CG1 4.28Å; I425-I434 HydrophobicContact CD1-CD1 4Å; I425-I434 HydrophobicContact CD1-CG1 3.85Å; I425-I434 HydrophobicContact CG1-CD1 4.47Å; I425-I434 HydrophobicContact CG1-CG1 3.77Å; I432-I434 HydrophobicContact CG2-CD1 4.05Å; I432-I434 HydrophobicContact CG2-CG1 3.96Å; I434-H444 PolarHBondContact N-O 2.79Å; I434-H444 PolarHBondContact O-N 3.43Å; I434-F446 HydrophobicContact CD1-CD2 4.44Å; I434-F446 HydrophobicContact CD1-CE2 4.25Å
435K93.8Very high93.7Very high27 Ų2722.1 Ų22.112%0.11711%0.109CC..EExtended strand (participates in β ladder)trans-65.9138.4172.2-75.5173.741.5-169.70110.7S424 I466 M467 I469S424-K435 PolarHBondContact O-N 3.02Å; K435-I466 HydrophobicContact CD-CB 4.37Å; K435-I466 HydrophobicContact CD-CG2 4.07Å; K435-I466 WeakPolarHBondContact CE-O 3.21Å; K435-I466 HydrophobicContact CG-CG2 4.45Å; K435-I466 PolarHBondContact NZ-O 2.85Å; K435-M467 PolarHBondContact NZ-O 3.32Å; K435-I469 HydrophobicContact CD-CG2 4.32Å; K435-I469 HydrophobicContact CG-CD1 4.06Å; K435-I469 HydrophobicContact CG-CG1 4.37Å; K435-I469 HydrophobicContact CG-CG2 4.24Å
436D91.3Very high93.7Very high1 Ų122.2 Ų22.21%0.00511%0.11CC..  trans-70.5132.7168.6-167.3-52.9000109.2N414 L438 D439 I442 H444N414-D436 WeakPolarHBondContact CB-OD2 3.48Å; N414-D436 PolarHBondContact ND2-OD2 3.44Å; D436-L438 WeakPolarHBondContact OD1-CB 3.42Å; D436-L438 PolarHBondContact OD1-N 2.73Å; D436-D439 WeakPolarHBondContact CB-O 3.39Å; D436-D439 CarbonylContact O-C 3.57Å; D436-D439 PolarHBondContact OD1-N 3.22Å; D436-I442 HydrophobicContact CB-CB 3.72Å; D436-I442 HydrophobicContact CB-CG2 4.07Å; D436-I442 PolarHBondContact N-O 2.78Å; D436-H444 IonicContact OD2-CD2 2.64Å; D436-H444 IonicContact OD2-CE1 3.51Å; D436-H444 IonicContact OD2-NE2 2.66Å; D436-H444 PolarHBondContact OD2-NE2 2.85Å
437Q81.1Confident93.6Very high28 Ų2823.6 Ų23.613%0.13112%0.117CC..SBendtrans-84.3-27.5-175.9-70.7-88400111.7N414 H416 Q419N414-Q437 PolarHBondContact O-N 3.29Å; H416-Q437 HydrophobicContact CB-CB 4.47Å; H416-Q437 HydrophobicContact CB-CG 4.14Å; Q419-Q437 VanDerWaalsContact CB-CD 3.46Å; Q419-Q437 PolarHBondContact O-NE2 2.95Å
438L82.6Confident93.5Very high93 Ų9323.5 Ų23.549%0.48712%0.116SC..SBendtrans-82.3-44.5179-63.6176.5000110.7N414 D436N414-L438 HydrophobicContact CB-CD1 4.38Å; D436-L438 WeakPolarHBondContact OD1-CB 3.42Å; D436-L438 PolarHBondContact OD1-N 2.73Å
439D89.1Confident93.4Very high71 Ų7126.5 Ų26.538%0.3814%0.137SC..SBendtrans-117.193.5173.1-172.1-10.2000110.6D436 K441 I442D436-D439 WeakPolarHBondContact CB-O 3.39Å; D436-D439 CarbonylContact O-C 3.57Å; D436-D439 PolarHBondContact OD1-N 3.22Å; D439-K441 PolarHBondContact O-N 2.89Å; D439-K441 VanDerWaalsContact OD1-CB 3.28Å; D439-K441 WeakPolarHBondContact OD1-CB 3.38Å; D439-K441 WeakPolarHBondContact OD1-CG 3.34Å; D439-K441 PolarHBondContact OD1-N 2.81Å; D439-K441 VanDerWaalsContact OD1-N 3.11Å; D439-I442 HydrophobicContact CB-CD1 3.88Å; D439-I442 HydrophobicContact CB-CG1 4.07Å; D439-I442 PolarHBondContact O-N 3.33Å; D439-I442 WeakPolarHBondContact OD2-CD1 3.36Å
440K89.1Confident93.3Very high43 Ų4327.7 Ų27.719%0.18715%0.148CC..THydrogen-bonded Turntrans-60.2-3.4-177.5-63.6-176.1178.2-175.80114.3E465 I466K440-E465 HydrophobicContact CB-CB 4.15Å; K440-E465 HydrophobicContact CB-CG 4.19Å; K440-I466 WeakPolarHBondContact O-CB 3.47Å; K440-I466 PolarHBondContact O-N 3.49Å
441K94.8Very high93.1Very high77 Ų7727.4 Ų27.434%0.33515%0.15SC..THydrogen-bonded Turntrans-87.2-5.3173.9-52.9-171.4178.2-167.70113.6D439 H462 S463 E465 I466D439-K441 PolarHBondContact O-N 2.89Å; D439-K441 VanDerWaalsContact OD1-CB 3.28Å; D439-K441 WeakPolarHBondContact OD1-CB 3.38Å; D439-K441 WeakPolarHBondContact OD1-CG 3.34Å; D439-K441 PolarHBondContact OD1-N 2.81Å; D439-K441 VanDerWaalsContact OD1-N 3.11Å; K441-H462 PolarHBondContact O-N 2.8Å; K441-S463 WeakPolarHBondContact CE-O 3.44Å; K441-S463 PolarHBondContact NZ-O 3.37Å; K441-E465 HydrophobicContact CG-CG 4.31Å; K441-I466 WeakPolarHBondContact O-CD1 3.49Å
442I95.8Very high92.9Very high28 Ų2834.4 Ų34.414%0.14418%0.181CC..EExtended strand (participates in β ladder)trans-110.2140.4-170.9-58.8-174.8000111.2D436 D439 P459 I460 T461D436-I442 HydrophobicContact CB-CB 3.72Å; D436-I442 HydrophobicContact CB-CG2 4.07Å; D436-I442 PolarHBondContact N-O 2.78Å; D439-I442 HydrophobicContact CB-CD1 3.88Å; D439-I442 HydrophobicContact CB-CG1 4.07Å; D439-I442 PolarHBondContact O-N 3.33Å; D439-I442 WeakPolarHBondContact OD2-CD1 3.36Å; I442-P459 HydrophobicContact CG2-CB 3.48Å; I442-P459 VanDerWaalsContact CG2-CB 3.48Å; I442-P459 HydrophobicContact CG2-CG 3.72Å; I442-I460 CarbonylContact C-O 3.52Å; I442-I460 VanDerWaalsContact CA-O 3.25Å; I442-I460 WeakPolarHBondContact CA-O 3.23Å; I442-T461 HydrophobicContact CG1-CG2 4.3Å
443I95.6Very high92.7Very high0 Ų037.8 Ų37.80%020%0.201CC..EExtended strand (participates in β ladder)trans-123.5123.1172.2-51.1171000109.8L445 P459 I460 I466 I469 L482 L484I443-L445 HydrophobicContact CG2-CD2 4.09Å; I443-P459 CarbonylContact O-C 3.57Å; I443-P459 WeakPolarHBondContact O-CA 3.27Å; I443-P459 VanDerWaalsContact O-CB 3.25Å; I443-P459 WeakPolarHBondContact O-CB 3.17Å; I443-I460 HydrophobicContact CB-CB 4.06Å; I443-I460 HydrophobicContact CB-CD1 4.24Å; I443-I460 HydrophobicContact CB-CG1 4.19Å; I443-I460 HydrophobicContact CD1-CD1 4.29Å; I443-I460 HydrophobicContact CG2-CD1 4.49Å; I443-I460 PolarHBondContact N-O 2.9Å; I443-I460 PolarHBondContact O-N 2.82Å; I443-I466 HydrophobicContact CD1-CD1 3.68Å; I443-I466 HydrophobicContact CG1-CD1 3.5Å; I443-I469 HydrophobicContact CD1-CG2 3.63Å; I443-I469 HydrophobicContact CG1-CG2 4.32Å; I443-I469 HydrophobicContact CG2-CD1 4.14Å; I443-L482 HydrophobicContact CD1-CD2 3.83Å; I443-L484 HydrophobicContact CD1-CD2 4.09Å
444H94.8Very high92.4Very high15 Ų1539.9 Ų39.97%0.06921%0.212CC..EExtended strand (participates in β ladder)trans-87.8135.3171.7-63.2-82.3000110.4H412 I415 G433 I434 D436 F446H412-H444 AromaticContact CD2-CE1 3.65Å; H412-H444 AromaticContact CD2-ND1 3.89Å; H412-H444 AromaticContact CD2-NE2 3.98Å; H412-H444 AromaticContact NE2-CE1 3.37Å; H412-H444 PolarHBondContact NE2-CE1 2.81Å; H412-H444 AromaticContact NE2-ND1 3.7Å; I415-H444 HydrophobicContact CD1-CB 4.32Å; G433-H444 CarbonylContact C-O 3.17Å; G433-H444 WeakPolarHBondContact CA-O 3.43Å; I434-H444 PolarHBondContact N-O 2.79Å; I434-H444 PolarHBondContact O-N 3.43Å; D436-H444 IonicContact OD2-CD2 2.64Å; D436-H444 IonicContact OD2-CE1 3.51Å; D436-H444 IonicContact OD2-NE2 2.66Å; D436-H444 PolarHBondContact OD2-NE2 2.85Å; H444-F446 HydrophobicContact CB-CE2 3.55Å; H444-F446 HydrophobicContact CB-CZ 3.8Å
445L95.1Very high91.8Very high12 Ų1243.9 Ų43.96%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-117.6130.9-178.2-64.6-176.9000111.2V431 I432 I443 T453 L454 I460 I496V431-L445 HydrophobicContact CG1-CD2 4.06Å; I432-L445 CarbonylContact O-C 3.52Å; I432-L445 WeakPolarHBondContact O-CA 3.37Å; I443-L445 HydrophobicContact CG2-CD2 4.09Å; L445-T453 VanDerWaalsContact O-CA 3.3Å; L445-T453 WeakPolarHBondContact O-CA 3.35Å; L445-L454 HydrophobicContact CB-CB 4.14Å; L445-L454 HydrophobicContact CB-CD1 4.08Å; L445-L454 PolarHBondContact O-N 3.38Å; L445-I460 HydrophobicContact CD1-CD1 3.91Å; L445-I460 HydrophobicContact CD1-CG1 4.01Å; L445-I460 HydrophobicContact CD2-CD1 4.22Å; L445-I460 HydrophobicContact CG-CD1 4.18Å; L445-I460 HydrophobicContact CG-CG1 4.18Å; L445-I496 HydrophobicContact CD1-CD1 3.95Å; L445-I496 HydrophobicContact CD1-CG2 4Å; L445-I496 HydrophobicContact CD2-CD1 4.12Å
446F95.4Very high91.2Very high8 Ų846.9 Ų46.94%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-130150.1-178.5-53.5-87.9000111.9L410 H412 I415 V431 I432 I434 H444 K452 T453 L454L410-F446 HydrophobicContact CD1-CB 4.43Å; L410-F446 HydrophobicContact CD1-CD2 4.17Å; L410-F446 HydrophobicContact CD1-CG 4.31Å; L410-F446 HydrophobicContact CD2-CB 3.92Å; L410-F446 HydrophobicContact CD2-CD1 4.03Å; L410-F446 HydrophobicContact CD2-CG 3.91Å; H412-F446 HydrophobicContact CB-CZ 4.41Å; I415-F446 HydrophobicContact CD1-CE2 3.69Å; I415-F446 HydrophobicContact CD1-CZ 3.75Å; V431-F446 CarbonylContact C-O 3.47Å; V431-F446 WeakPolarHBondContact CA-O 3.15Å; I432-F446 HydrophobicContact CB-CB 4.34Å; I432-F446 PolarHBondContact N-O 3.25Å; I432-F446 PolarHBondContact O-N 3.05Å; I434-F446 HydrophobicContact CD1-CD2 4.44Å; I434-F446 HydrophobicContact CD1-CE2 4.25Å; H444-F446 HydrophobicContact CB-CE2 3.55Å; H444-F446 HydrophobicContact CB-CZ 3.8Å; F446-K452 CarbonylContact C-O 3.56Å; F446-K452 VanDerWaalsContact CA-O 3.29Å; F446-K452 WeakPolarHBondContact CA-O 3.34Å; F446-T453 HydrophobicContact CD1-CG2 4.14Å; F446-T453 HydrophobicContact CE1-CG2 3.87Å; F446-L454 WeakPolarHBondContact O-CD1 3.45Å
447D94.9Very high90.9Very high38 Ų3848.3 Ų48.320%0.20329%0.286CS..  trans-83118.8168167.712.9000109S449 S450 G451 K452 L454D447-S449 PolarHBondContact O-N 3.25Å; D447-S449 WeakPolarHBondContact OD1-CB 3.35Å; D447-S449 PolarHBondContact OD1-N 3.4Å; D447-S449 PolarHBondContact OD1-OG 2.79Å; D447-S449 PolarHBondContact OD2-OG 3.26Å; D447-S450 PolarHBondContact O-N 3.13Å; D447-S450 WeakPolarHBondContact OD2-CB 3.48Å; D447-S450 PolarHBondContact OD2-OG 3.2Å; D447-G451 VanDerWaalsContact O-CA 3.31Å; D447-G451 WeakPolarHBondContact O-CA 3.49Å; D447-G451 PolarHBondContact O-N 2.85Å; D447-K452 PolarHBondContact N-O 2.85Å; D447-L454 HydrophobicContact CB-CD2 3.83Å; D447-L454 HydrophobicContact CB-CG 4.37Å
448P95.9Very high91.2Very high0 Ų053.7 Ų53.70%031%0.309CS..THydrogen-bonded Turntrans-63.7-22.6-178.726-33.3000113.3Y388 V399 I407 C408 D430 I432Y388-P448 HydrophobicContact CD2-CB 3.76Å; Y388-P448 HydrophobicContact CD2-CG 4.03Å; Y388-P448 HydrophobicContact CE2-CB 3.98Å; Y388-P448 HydrophobicContact CE2-CG 3.95Å; Y388-P448 HydrophobicContact CG-CB 4.49Å; V399-P448 HydrophobicContact CG1-CB 4.29Å; I407-P448 VanDerWaalsContact CG2-O 3.27Å; I407-P448 WeakPolarHBondContact CG2-O 2.96Å; C408-P448 PolarHBondContact SG-O 3.34Å; D430-P448 VanDerWaalsContact O-CD 3.23Å; D430-P448 WeakPolarHBondContact O-CD 3.41Å; I432-P448 HydrophobicContact CD1-CB 3.76Å; I432-P448 HydrophobicContact CG1-CB 4.03Å
449S94.8Very high91.7Very high63 Ų6351.5 Ų51.544%0.44130%0.3SS..THydrogen-bonded Turntrans-80.3-25.1-178.373.60000113.7I407 D447I407-S449 VanDerWaalsContact CG2-O 3.31Å; I407-S449 WeakPolarHBondContact CG2-O 3.4Å; D447-S449 PolarHBondContact O-N 3.25Å; D447-S449 WeakPolarHBondContact OD1-CB 3.35Å; D447-S449 PolarHBondContact OD1-N 3.4Å; D447-S449 PolarHBondContact OD1-OG 2.79Å; D447-S449 PolarHBondContact OD2-OG 3.26Å
450S93.8Very high91.9Very high52 Ų5248.5 Ų48.536%0.36428%0.284SS..THydrogen-bonded Turntrans-124.7-16.7-175.867.30000114.4D447 K452D447-S450 PolarHBondContact O-N 3.13Å; D447-S450 WeakPolarHBondContact OD2-CB 3.48Å; D447-S450 PolarHBondContact OD2-OG 3.2Å; S450-K452 PolarHBondContact O-N 3.5Å; S450-K452 PolarHBondContact OG-N 3.27Å
451G91.5Very high92.2Very high18 Ų1851.3 Ų51.319%0.18631%0.305CS..  trans70.64.2-172.700000114.4C408 D447C408-G451 WeakPolarHBondContact SG-CA 3.33Å; D447-G451 VanDerWaalsContact O-CA 3.31Å; D447-G451 WeakPolarHBondContact O-CA 3.49Å; D447-G451 PolarHBondContact O-N 2.85Å
452K93.6Very high92.3Very high148 Ų14848.5 Ų48.564%0.64329%0.293SS*.PPolyproline II helixtrans-80.6152.8-179.6-65.3-178.3-179.3177.90110.8F446 D447 S450F446-K452 CarbonylContact C-O 3.56Å; F446-K452 VanDerWaalsContact CA-O 3.29Å; F446-K452 WeakPolarHBondContact CA-O 3.34Å; D447-K452 PolarHBondContact N-O 2.85Å; S450-K452 PolarHBondContact O-N 3.5Å; S450-K452 PolarHBondContact OG-N 3.27Å
453T92.1Very high92.3Very high71 Ų7150.8 Ų50.844%0.43631%0.311SS..BIsolated β-bridgetrans-63.3140.9172.653.20000110.8L445 F446L445-T453 VanDerWaalsContact O-CA 3.3Å; L445-T453 WeakPolarHBondContact O-CA 3.35Å; F446-T453 HydrophobicContact CD1-CG2 4.14Å; F446-T453 HydrophobicContact CE1-CG2 3.87Å
454L90.1Very high92.3Very high43 Ų4352.5 Ų52.523%0.22532%0.321CS..PPolyproline II helixtrans-78.8153.2179.9-74.5167.3000112.6V431 L445 F446 D447 D456 G457V431-L454 HydrophobicContact CB-CD1 4.02Å; V431-L454 HydrophobicContact CG1-CD1 3.69Å; V431-L454 HydrophobicContact CG2-CD1 3.66Å; L445-L454 HydrophobicContact CB-CB 4.14Å; L445-L454 HydrophobicContact CB-CD1 4.08Å; L445-L454 PolarHBondContact O-N 3.38Å; F446-L454 WeakPolarHBondContact O-CD1 3.45Å; D447-L454 HydrophobicContact CB-CD2 3.83Å; D447-L454 HydrophobicContact CB-CG 4.37Å; L454-D456 PolarHBondContact O-N 3.04Å; L454-G457 PolarHBondContact O-N 2.85Å; L454-G457 VanDerWaalsContact O-N 3.08Å
455G82.6Confident92.2Very high85 Ų8556.1 Ų56.188%0.87634%0.338SS*.THydrogen-bonded Turntrans63.6-131.1174.200000113.4G457G455-G457 PolarHBondContact O-N 2.8Å
456D81.5Confident92.2Very high91 Ų9155.6 Ų55.649%0.48734%0.335SS..THydrogen-bonded Turntrans-81.16.3175.770.2-16.9000113.1L454 K458L454-D456 PolarHBondContact O-N 3.04Å; D456-K458 PolarHBondContact O-N 3.03Å; D456-K458 WeakPolarHBondContact OD1-CB 3.29Å; D456-K458 PolarHBondContact OD1-N 2.9Å; D456-K458 VanDerWaalsContact OD1-N 3.13Å; D456-K458 WeakPolarHBondContact OD2-CD 3.12Å; D456-K458 WeakPolarHBondContact OD2-CE 3.36Å; D456-K458 WeakPolarHBondContact OD2-CG 3.49Å; D456-K458 IonicContact OD2-NZ 2.76Å; D456-K458 PolarHBondContact OD2-NZ 2.82Å
457G84Confident92.1Very high31 Ų3159.4 Ų59.432%0.3235%0.354SS..SBendtrans76.90.9-178.700000114.5L454 G455L454-G457 PolarHBondContact O-N 2.85Å; L454-G457 VanDerWaalsContact O-N 3.08Å; G455-G457 PolarHBondContact O-N 2.8Å
458K88.9Confident92.1Very high141 Ų14159.2 Ų59.261%0.61335%0.351SS*.PPolyproline II helixtrans-79.9134.8177.5-64-176.7-163.8131.50110.7D456D456-K458 PolarHBondContact O-N 3.03Å; D456-K458 WeakPolarHBondContact OD1-CB 3.29Å; D456-K458 PolarHBondContact OD1-N 2.9Å; D456-K458 VanDerWaalsContact OD1-N 3.13Å; D456-K458 WeakPolarHBondContact OD2-CD 3.12Å; D456-K458 WeakPolarHBondContact OD2-CE 3.36Å; D456-K458 WeakPolarHBondContact OD2-CG 3.49Å; D456-K458 IonicContact OD2-NZ 2.76Å; D456-K458 PolarHBondContact OD2-NZ 2.82Å
459P92.1Very high92.2Very high47 Ų4759.3 Ų59.331%0.30535%0.352SS..PPolyproline II helixtrans-71.9161.6176.733.7-36.9000110.9I442 I443I442-P459 HydrophobicContact CG2-CB 3.48Å; I442-P459 VanDerWaalsContact CG2-CB 3.48Å; I442-P459 HydrophobicContact CG2-CG 3.72Å; I443-P459 CarbonylContact O-C 3.57Å; I443-P459 WeakPolarHBondContact O-CA 3.27Å; I443-P459 VanDerWaalsContact O-CB 3.25Å; I443-P459 WeakPolarHBondContact O-CB 3.17Å
460I94.2Very high92.4Very high8 Ų857.2 Ų57.24%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-75130.8171.3-41.9-174.8000108I442 I443 L445 L482 M494I442-I460 CarbonylContact C-O 3.52Å; I442-I460 VanDerWaalsContact CA-O 3.25Å; I442-I460 WeakPolarHBondContact CA-O 3.23Å; I443-I460 HydrophobicContact CB-CB 4.06Å; I443-I460 HydrophobicContact CB-CD1 4.24Å; I443-I460 HydrophobicContact CB-CG1 4.19Å; I443-I460 HydrophobicContact CD1-CD1 4.29Å; I443-I460 HydrophobicContact CG2-CD1 4.49Å; I443-I460 PolarHBondContact N-O 2.9Å; I443-I460 PolarHBondContact O-N 2.82Å; L445-I460 HydrophobicContact CD1-CD1 3.91Å; L445-I460 HydrophobicContact CD1-CG1 4.01Å; L445-I460 HydrophobicContact CD2-CD1 4.22Å; L445-I460 HydrophobicContact CG-CD1 4.18Å; L445-I460 HydrophobicContact CG-CG1 4.18Å; I460-L482 HydrophobicContact CD1-CD2 3.62Å; I460-M494 HydrophobicContact CD1-SD 3.79Å; I460-M494 HydrophobicContact CG2-CE 4.4Å; I460-M494 HydrophobicContact CG2-SD 3.97Å
461T94.8Very high92.6Very high101 Ų10154.8 Ų54.862%0.6232%0.32SS*.EExtended strand (participates in β ladder)trans-112.5125172.757.60000109.7I442I442-T461 HydrophobicContact CG1-CG2 4.3Å
462H96.4Very high92.9Very high18 Ų1854 Ų548%0.08331%0.312CS..  trans-102.6162173.7-166.746.5000111.3K441 N464 I466 D486 Y492K441-H462 PolarHBondContact O-N 2.8Å; H462-N464 PolarHBondContact CD2-O 3.46Å; H462-N464 VanDerWaalsContact CD2-O 3.28Å; H462-I466 HydrophobicContact CB-CD1 3.81Å; H462-I466 HydrophobicContact CB-CG1 3.92Å; H462-D486 IonicContact CD2-OD2 3.53Å; H462-D486 IonicContact NE2-OD2 3.77Å; H462-D486 PolarHBondContact NE2-OD2 2.7Å; H462-Y492 AromaticContact CE1-CE2 3.78Å; H462-Y492 AromaticContact CE1-CZ 3.98Å; H462-Y492 AromaticContact NE2-CE2 3.82Å
463S95.5Very high92.9Very high76 Ų7648 Ų4853%0.53129%0.286SS..SBendtrans-72.1-34.3178.156.90000112.6K441K441-S463 WeakPolarHBondContact CE-O 3.44Å; K441-S463 PolarHBondContact NZ-O 3.37Å
464N95.5Very high93Very high37 Ų3747.3 Ų47.320%0.19828%0.278CS..SBendtrans-117.1161.6-172.3-68.451000110.4H462 I466 D486 N488H462-N464 PolarHBondContact CD2-O 3.46Å; H462-N464 VanDerWaalsContact CD2-O 3.28Å; N464-I466 PolarHBondContact O-N 2.77Å; N464-D486 HydrophobicContact CB-CB 3.97Å; N464-N488 PolarHBondContact ND2-ND2 2.99Å; N464-N488 PolarHBondContact ND2-OD1 2.94Å; N464-N488 VanDerWaalsContact ND2-OD1 3.16Å
465E93Very high93.1Very high90 Ų9047.2 Ų47.242%0.42129%0.288SS..  trans-63.9134.9175.8-64.3-175.9174.900109.8K440 K441 D486 S487K440-E465 HydrophobicContact CB-CB 4.15Å; K440-E465 HydrophobicContact CB-CG 4.19Å; K441-E465 HydrophobicContact CG-CG 4.31Å; E465-D486 CarbonylContact O-C 3.54Å; E465-D486 VanDerWaalsContact O-CA 3.25Å; E465-D486 WeakPolarHBondContact O-CA 3.4Å; E465-D486 WeakPolarHBondContact O-CB 3.35Å; E465-S487 PolarHBondContact O-N 3.16Å
466I95.8Very high93.4Very high1 Ų147.2 Ų47.21%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-90.2125.1-176.4-56169.2000107.3K435 K440 K441 I443 H462 N464 I469 L484K435-I466 HydrophobicContact CD-CB 4.37Å; K435-I466 HydrophobicContact CD-CG2 4.07Å; K435-I466 WeakPolarHBondContact CE-O 3.21Å; K435-I466 HydrophobicContact CG-CG2 4.45Å; K435-I466 PolarHBondContact NZ-O 2.85Å; K440-I466 WeakPolarHBondContact O-CB 3.47Å; K440-I466 PolarHBondContact O-N 3.49Å; K441-I466 WeakPolarHBondContact O-CD1 3.49Å; I443-I466 HydrophobicContact CD1-CD1 3.68Å; I443-I466 HydrophobicContact CG1-CD1 3.5Å; H462-I466 HydrophobicContact CB-CD1 3.81Å; H462-I466 HydrophobicContact CB-CG1 3.92Å; N464-I466 PolarHBondContact O-N 2.77Å; I466-I469 HydrophobicContact CG2-CG2 3.52Å; I466-L484 HydrophobicContact CD1-CD2 4.38Å; I466-L484 HydrophobicContact CG2-CB 4.17Å
467M92.9Very high93.6Very high89 Ų8945.6 Ų45.644%0.43826%0.264SS..EExtended strand (participates in β ladder)trans-87-53.2179.9-63.5-57.4-63.800110.8K435 L485K435-M467 PolarHBondContact NZ-O 3.32Å; M467-L485 WeakPolarHBondContact CA-O 3.41Å; M467-L485 HydrophobicContact CB-CG 4.44Å; M467-L485 WeakPolarHBondContact CB-O 3.3Å; M467-L485 PolarHBondContact N-O 2.86Å
468K95.5Very high93.7Very high33 Ų3350.1 Ų50.114%0.14328%0.275CS..EExtended strand (participates in β ladder)trans-140145.4-176176.9177.6-168.9175.90111.1D423 L484 L485 F515D423-K468 HydrophobicContact CB-CB 4.07Å; D423-K468 HydrophobicContact CB-CG 4.07Å; D423-K468 WeakPolarHBondContact OD1-CD 3.38Å; D423-K468 WeakPolarHBondContact OD1-CE 3.21Å; D423-K468 VanDerWaalsContact OD1-CG 3.29Å; D423-K468 WeakPolarHBondContact OD1-CG 3.22Å; D423-K468 IonicContact OD1-NZ 3.29Å; K468-L484 CarbonylContact O-C 3.56Å; K468-L484 VanDerWaalsContact O-CA 3.31Å; K468-L484 WeakPolarHBondContact O-CA 3.37Å; K468-L485 HydrophobicContact CB-CB 4.36Å; K468-L485 PolarHBondContact N-O 3.39Å; K468-L485 PolarHBondContact O-N 2.88Å; K468-F515 HydrophobicContact CB-CE1 3.77Å; K468-F515 HydrophobicContact CB-CZ 4.34Å; K468-F515 HydrophobicContact CD-CD1 4.05Å; K468-F515 HydrophobicContact CD-CE1 3.67Å; K468-F515 HydrophobicContact CD-CZ 4.17Å; K468-F515 HydrophobicContact CG-CD1 4.42Å; K468-F515 HydrophobicContact CG-CE1 3.56Å; K468-F515 HydrophobicContact CG-CZ 3.81Å; K468-F515 PolarHBondContact NZ-O 3.15Å
469I97.9Very high93.7Very high3 Ų345.5 Ų45.52%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-128.4145.4175.659.8171000110.9D423 T426 K435 I443 I466 L482 A483 L484D423-I469 PolarHBondContact O-N 2.87Å; T426-I469 HydrophobicContact CG2-CB 4.33Å; T426-I469 HydrophobicContact CG2-CD1 3.76Å; T426-I469 HydrophobicContact CG2-CG1 3.87Å; K435-I469 HydrophobicContact CD-CG2 4.32Å; K435-I469 HydrophobicContact CG-CD1 4.06Å; K435-I469 HydrophobicContact CG-CG1 4.37Å; K435-I469 HydrophobicContact CG-CG2 4.24Å; I443-I469 HydrophobicContact CD1-CG2 3.63Å; I443-I469 HydrophobicContact CG1-CG2 4.32Å; I443-I469 HydrophobicContact CG2-CD1 4.14Å; I466-I469 HydrophobicContact CG2-CG2 3.52Å; I469-L482 HydrophobicContact CB-CD1 4.2Å; I469-A483 CarbonylContact C-O 3.57Å; I469-A483 WeakPolarHBondContact CA-O 3.29Å; I469-L484 HydrophobicContact CG2-CB 4.02Å
470S98.1Very high93.8Very high19 Ų1943.3 Ų43.313%0.13324%0.242CC..EExtended strand (participates in β ladder)trans-154.2132.5174.1-159.50000112.4T426 A483 W517T426-S470 WeakPolarHBondContact OG1-CA 3.41Å; S470-A483 PolarHBondContact N-O 2.84Å; S470-A483 PolarHBondContact O-N 3.24Å; S470-W517 PolarHBondContact O-NE1 3.42Å
471L98.2Very high93.9Very high0 Ų044 Ų440%025%0.245CC..EExtended strand (participates in β ladder)trans-89.7142.4173.8-67.4164.5000110.8T426 V431 Q473 R480 R481 L482 I496 W517T426-L471 HydrophobicContact CG2-CB 4.48Å; T426-L471 HydrophobicContact CG2-CD1 3.84Å; T426-L471 HydrophobicContact CG2-CG 3.68Å; T426-L471 PolarHBondContact OG1-N 3.21Å; V431-L471 HydrophobicContact CB-CD1 3.86Å; V431-L471 HydrophobicContact CG1-CD1 3.8Å; V431-L471 HydrophobicContact CG1-CD2 4.3Å; V431-L471 WeakPolarHBondContact O-CD1 3.34Å; L471-Q473 PolarHBondContact O-NE2 2.7Å; L471-Q473 VanDerWaalsContact O-NE2 3.16Å; L471-R480 HydrophobicContact CD2-CG 4.01Å; L471-R481 WeakPolarHBondContact CA-O 3.37Å; L471-R481 WeakPolarHBondContact CD2-O 3.49Å; L471-L482 HydrophobicContact CD2-CB 3.96Å; L471-L482 HydrophobicContact CD2-CD1 3.71Å; L471-L482 HydrophobicContact CD2-CG 4.44Å; L471-L482 HydrophobicContact CG-CD1 3.99Å; L471-I496 HydrophobicContact CD2-CD1 4Å; L471-I496 HydrophobicContact CD2-CG1 4.01Å; L471-W517 VanDerWaalsContact C-CD1 3.5Å
472N97.6Very high94.1Very high2 Ų239.2 Ų39.21%0.01122%0.215CC..  trans-62153.2163.567.6-29.8000110M474 D479 R480 R481 W517 N522N472-M474 PolarHBondContact ND2-O 2.74Å; N472-D479 PolarHBondContact ND2-O 3Å; N472-D479 VanDerWaalsContact ND2-O 3.11Å; N472-R480 VanDerWaalsContact CG-NH1 3.29Å; N472-R480 PolarHBondContact O-NH1 2.8Å; N472-R480 WeakPolarHBondContact OD1-CD 3.44Å; N472-R480 PolarHBondContact OD1-NH1 3.21Å; N472-R481 PolarHBondContact N-O 2.91Å; N472-R481 PolarHBondContact OD1-N 3.09Å; N472-R481 PolarHBondContact OD1-O 2.86Å; N472-R481 VanDerWaalsContact OD1-O 3.12Å; N472-W517 HydrophobicContact CB-CD2 3.74Å; N472-W517 HydrophobicContact CB-CE3 3.64Å; N472-W517 HydrophobicContact CB-CG 4.36Å; N472-W517 HydrophobicContact CB-CH2 4.1Å; N472-W517 HydrophobicContact CB-CZ2 4.17Å; N472-W517 HydrophobicContact CB-CZ3 3.83Å; N472-N522 PolarHBondContact ND2-OD1 2.91Å
473Q95.4Very high94.2Very high21 Ų2138.4 Ų38.410%0.09821%0.211CC..  trans-98.6-29.5-174-64.1-58.1-48.100113.3F347 M427 L471F347-Q473 HydrophobicContact CE1-CG 4.41Å; F347-Q473 HydrophobicContact CZ-CG 4.05Å; M427-Q473 PolarHBondContact O-NE2 2.89Å; L471-Q473 PolarHBondContact O-NE2 2.7Å; L471-Q473 VanDerWaalsContact O-NE2 3.16Å
474M94.4Very high94.3Very high57 Ų5734.8 Ų34.828%0.28119%0.186SC..SBendtrans-91.7163-175.5-58.8-55.9-71.200112.3N472 R480 T520 N522N472-M474 PolarHBondContact ND2-O 2.74Å; M474-R480 PolarHBondContact O-NH1 3.43Å; M474-T520 VanDerWaalsContact CG-C 3.46Å; M474-T520 WeakPolarHBondContact CG-O 3.39Å; M474-N522 PolarHBondContact O-OD1 2.9Å
475G90.4Very high94.4Very high41 Ų4133.6 Ų33.642%0.42318%0.18SC..SBendtrans88.6171.618000000114R480G475-R480 PolarHBondContact O-NH2 3.43Å
476N88.6Confident94.6Very high85 Ų8529.4 Ų29.446%0.45516%0.16SC..  trans-85.1-173.2175.96641.9000110.3F478 D479 R480N476-F478 PolarHBondContact O-N 2.8Å; N476-F478 WeakPolarHBondContact OD1-CA 3.32Å; N476-F478 WeakPolarHBondContact OD1-CB 3.48Å; N476-F478 WeakPolarHBondContact OD1-CD2 3.4Å; N476-F478 PolarHBondContact OD1-N 2.98Å; N476-D479 PolarHBondContact N-OD2 2.95Å; N476-D479 PolarHBondContact ND2-OD2 3.11Å; N476-D479 PolarHBondContact O-N 3.38Å; N476-D479 VanDerWaalsContact O-N 3.15Å; N476-D479 PolarHBondContact OD1-N 3.06Å; N476-D479 PolarHBondContact OD1-OD2 3.04Å; N476-R480 PolarHBondContact O-N 3.14Å
477S87.2Confident94.5Very high58 Ų5831.9 Ų31.941%0.40618%0.178SC..G310 helixtrans-67.7-22.4-178.2-157.10000115D430 R480D430-S477 WeakPolarHBondContact OD2-CA 3.25Å; D430-S477 WeakPolarHBondContact OD2-CB 3.32Å; D430-S477 PolarHBondContact OD2-OG 2.8Å; S477-R480 WeakPolarHBondContact O-CB 3.31Å
478F85.3Confident94.6Very high126 Ų12632 Ų3255%0.55318%0.18SC*.G310 helixtrans-72.8-31.7173.7-55.5-75.5000112.1N476 R480 R481N476-F478 PolarHBondContact O-N 2.8Å; N476-F478 WeakPolarHBondContact OD1-CA 3.32Å; N476-F478 WeakPolarHBondContact OD1-CB 3.48Å; N476-F478 WeakPolarHBondContact OD1-CD2 3.4Å; N476-F478 PolarHBondContact OD1-N 2.98Å; F478-R480 VanDerWaalsContact C-N 3.27Å; F478-R480 PolarHBondContact O-N 2.87Å; F478-R481 PolarHBondContact O-NH1 3.31Å
479D88.5Confident94.6Very high43 Ų4335.3 Ų35.323%0.2319%0.194CC..G310 helixtrans-86.12.4179.4-53.4-48.1000113.1N472 N476 R481N472-D479 PolarHBondContact ND2-O 3Å; N472-D479 VanDerWaalsContact ND2-O 3.11Å; N476-D479 PolarHBondContact N-OD2 2.95Å; N476-D479 PolarHBondContact ND2-OD2 3.11Å; N476-D479 PolarHBondContact O-N 3.38Å; N476-D479 VanDerWaalsContact O-N 3.15Å; N476-D479 PolarHBondContact OD1-N 3.06Å; N476-D479 PolarHBondContact OD1-OD2 3.04Å; D479-R481 PolarHBondContact O-N 2.99Å
480R95.1Very high94.6Very high1 Ų135.9 Ų35.90%0.00420%0.198CC..  trans-70.5125.6-175.6-168.960.351.9-131.32.1110.6S428 D430 V431 L471 N472 M474 G475 N476 S477 F478 I496S428-R480 WeakPolarHBondContact OG-CD 3.22Å; S428-R480 PolarHBondContact OG-NE 2.86Å; D430-R480 IonicContact OD1-CZ 3.99Å; D430-R480 VanDerWaalsContact OD1-CZ 3.23Å; D430-R480 IonicContact OD1-NE 3.68Å; D430-R480 PolarHBondContact OD1-NE 2.82Å; D430-R480 IonicContact OD1-NH2 3.72Å; D430-R480 PolarHBondContact OD1-NH2 2.73Å; D430-R480 IonicContact OD2-NE 2.65Å; V431-R480 HydrophobicContact CB-CG 4.31Å; V431-R480 HydrophobicContact CG2-CG 3.79Å; L471-R480 HydrophobicContact CD2-CG 4.01Å; N472-R480 VanDerWaalsContact CG-NH1 3.29Å; N472-R480 PolarHBondContact O-NH1 2.8Å; N472-R480 WeakPolarHBondContact OD1-CD 3.44Å; N472-R480 PolarHBondContact OD1-NH1 3.21Å; M474-R480 PolarHBondContact O-NH1 3.43Å; G475-R480 PolarHBondContact O-NH2 3.43Å; N476-R480 PolarHBondContact O-N 3.14Å; S477-R480 WeakPolarHBondContact O-CB 3.31Å; F478-R480 VanDerWaalsContact C-N 3.27Å; F478-R480 PolarHBondContact O-N 2.87Å; R480-I496 HydrophobicContact CB-CB 4.39Å; R480-I496 HydrophobicContact CB-CG1 4.29Å; R480-I496 HydrophobicContact CG-CB 4.28Å; R480-I496 HydrophobicContact CG-CG1 3.71Å; R480-I496 PolarHBondContact O-N 2.96Å
481R96.5Very high94.6Very high24 Ų2435 Ų359%0.09119%0.191CC..EExtended strand (participates in β ladder)trans-125143.7178-61-58.5178.1-91.6-8.6110.4L471 N472 F478 D479 L493 M494 W517 D539L471-R481 WeakPolarHBondContact CA-O 3.37Å; L471-R481 WeakPolarHBondContact CD2-O 3.49Å; N472-R481 PolarHBondContact N-O 2.91Å; N472-R481 PolarHBondContact OD1-N 3.09Å; N472-R481 PolarHBondContact OD1-O 2.86Å; N472-R481 VanDerWaalsContact OD1-O 3.12Å; F478-R481 PolarHBondContact O-NH1 3.31Å; D479-R481 PolarHBondContact O-N 2.99Å; R481-L493 HydrophobicContact CB-CD1 3.96Å; R481-M494 WeakPolarHBondContact CA-O 3.11Å; R481-M494 WeakPolarHBondContact CD-O 3.35Å; R481-W517 HydrophobicContact CB-CH2 4.36Å; R481-W517 HydrophobicContact CB-CZ2 4.32Å; R481-D539 IonicContact CZ-OD1 2.87Å; R481-D539 IonicContact NE-OD1 3.83Å; R481-D539 PolarHBondContact NE-OD1 3.28Å; R481-D539 IonicContact NH2-OD1 3.11Å; R481-D539 PolarHBondContact NH2-OD1 3.12Å; R481-D539 IonicContact NH2-OD2 3.54Å
482L97.8Very high94.7Very high0 Ų036.6 Ų36.60%020%0.197CC..EExtended strand (participates in β ladder)trans-114.6124175-179.468.8000108.4T426 I443 I460 I469 L471 M494 I496T426-L482 HydrophobicContact CG2-CD1 4.06Å; I443-L482 HydrophobicContact CD1-CD2 3.83Å; I460-L482 HydrophobicContact CD1-CD2 3.62Å; I469-L482 HydrophobicContact CB-CD1 4.2Å; L471-L482 HydrophobicContact CD2-CB 3.96Å; L471-L482 HydrophobicContact CD2-CD1 3.71Å; L471-L482 HydrophobicContact CD2-CG 4.44Å; L471-L482 HydrophobicContact CG-CD1 3.99Å; L482-M494 HydrophobicContact CB-CG 3.86Å; L482-M494 HydrophobicContact CD2-CG 4.35Å; L482-M494 HydrophobicContact CD2-SD 4.02Å; L482-M494 HydrophobicContact CG-CG 4.48Å; L482-M494 PolarHBondContact N-O 3.13Å; L482-M494 PolarHBondContact O-N 3.45Å; L482-I496 HydrophobicContact CB-CD1 3.69Å; L482-I496 HydrophobicContact CB-CG1 4.4Å; L482-I496 HydrophobicContact CD2-CD1 4.11Å; L482-I496 HydrophobicContact CG-CD1 4.45Å
483A98.5Very high94.7Very high0 Ų036.5 Ų36.50%020%0.197CC..EExtended strand (participates in β ladder)trans-95.9137.116500000108.9I469 S470 L491 Y492 L493 F515 W517 L524I469-A483 CarbonylContact C-O 3.57Å; I469-A483 WeakPolarHBondContact CA-O 3.29Å; S470-A483 PolarHBondContact N-O 2.84Å; S470-A483 PolarHBondContact O-N 3.24Å; A483-L491 HydrophobicContact CB-CD1 4.34Å; A483-Y492 CarbonylContact C-O 3.55Å; A483-Y492 VanDerWaalsContact CA-O 3.23Å; A483-Y492 WeakPolarHBondContact CA-O 3.13Å; A483-L493 HydrophobicContact CB-CD1 4.49Å; A483-F515 HydrophobicContact CB-CD2 4.07Å; A483-F515 HydrophobicContact CB-CE2 3.55Å; A483-F515 HydrophobicContact CB-CZ 4.27Å; A483-W517 HydrophobicContact CB-CZ2 4.02Å; A483-L524 HydrophobicContact CB-CD1 4.39Å; A483-L524 HydrophobicContact CB-CD2 4.26Å
484L98.1Very high94.7Very high0 Ų035.5 Ų35.50%019%0.192CC..EExtended strand (participates in β ladder)trans-133.5145.6173.770.379.4000111.2I443 I466 K468 I469 L491 Y492 M494I443-L484 HydrophobicContact CD1-CD2 4.09Å; I466-L484 HydrophobicContact CD1-CD2 4.38Å; I466-L484 HydrophobicContact CG2-CB 4.17Å; K468-L484 CarbonylContact O-C 3.56Å; K468-L484 VanDerWaalsContact O-CA 3.31Å; K468-L484 WeakPolarHBondContact O-CA 3.37Å; I469-L484 HydrophobicContact CG2-CB 4.02Å; L484-L491 WeakPolarHBondContact O-CA 3.46Å; L484-L491 WeakPolarHBondContact O-CD1 3.37Å; L484-Y492 HydrophobicContact CD1-CD2 3.85Å; L484-Y492 HydrophobicContact CD1-CG 4.26Å; L484-Y492 PolarHBondContact N-O 2.93Å; L484-Y492 PolarHBondContact O-N 3.49Å; L484-M494 HydrophobicContact CD2-CE 3.21Å; L484-M494 HydrophobicContact CG-CE 4.04Å
485L98.2Very high94.6Very high13 Ų1333 Ų337%0.06818%0.181CC..EExtended strand (participates in β ladder)trans-111.4129.917217964.2000108.2M467 K468 D490 V512 F515M467-L485 WeakPolarHBondContact CA-O 3.41Å; M467-L485 HydrophobicContact CB-CG 4.44Å; M467-L485 WeakPolarHBondContact CB-O 3.3Å; M467-L485 PolarHBondContact N-O 2.86Å; K468-L485 HydrophobicContact CB-CB 4.36Å; K468-L485 PolarHBondContact N-O 3.39Å; K468-L485 PolarHBondContact O-N 2.88Å; L485-D490 WeakPolarHBondContact CA-O 3.4Å; L485-V512 HydrophobicContact CD1-CB 3.71Å; L485-V512 HydrophobicContact CD1-CG1 4.07Å; L485-F515 HydrophobicContact CB-CD1 3.89Å; L485-F515 HydrophobicContact CB-CE1 3.52Å; L485-F515 HydrophobicContact CD2-CD1 4.42Å
486D96.7Very high94.7Very high1 Ų131.9 Ų31.91%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-102.4177.6178.775.313000113.6H462 N464 E465 N488 K489 D490 Y492H462-D486 IonicContact CD2-OD2 3.53Å; H462-D486 IonicContact NE2-OD2 3.77Å; H462-D486 PolarHBondContact NE2-OD2 2.7Å; N464-D486 HydrophobicContact CB-CB 3.97Å; E465-D486 CarbonylContact O-C 3.54Å; E465-D486 VanDerWaalsContact O-CA 3.25Å; E465-D486 WeakPolarHBondContact O-CA 3.4Å; E465-D486 WeakPolarHBondContact O-CB 3.35Å; D486-N488 PolarHBondContact O-N 3.26Å; D486-N488 WeakPolarHBondContact OD1-CA 3.46Å; D486-N488 WeakPolarHBondContact OD1-CB 3.49Å; D486-N488 PolarHBondContact OD1-N 3.05Å; D486-K489 WeakPolarHBondContact O-CA 3.26Å; D486-K489 PolarHBondContact O-N 3.09Å; D486-K489 PolarHBondContact OD1-N 3.34Å; D486-D490 PolarHBondContact N-O 3.29Å; D486-D490 VanDerWaalsContact N-O 3.1Å; D486-D490 WeakPolarHBondContact OD1-CB 3.24Å; D486-D490 PolarHBondContact OD1-N 2.81Å; D486-Y492 WeakPolarHBondContact OD2-CE2 3.16Å
487S93.2Very high94.5Very high54 Ų5433 Ų3338%0.37816%0.163SC..THydrogen-bonded Turntrans-64.8-17.3-179.765.20000113.9E465E465-S487 PolarHBondContact O-N 3.16Å
488N95.5Very high94.2Very high91 Ų9133.7 Ų33.749%0.48716%0.161SC..THydrogen-bonded Turntrans-84.51.2172.8-74.63.2000112.2N464 D486 D490N464-N488 PolarHBondContact ND2-ND2 2.99Å; N464-N488 PolarHBondContact ND2-OD1 2.94Å; N464-N488 VanDerWaalsContact ND2-OD1 3.16Å; D486-N488 PolarHBondContact O-N 3.26Å; D486-N488 WeakPolarHBondContact OD1-CA 3.46Å; D486-N488 WeakPolarHBondContact OD1-CB 3.49Å; D486-N488 PolarHBondContact OD1-N 3.05Å; N488-D490 PolarHBondContact O-N 2.78Å
489K95.7Very high93.3Very high103 Ų10329.2 Ų29.245%0.44814%0.142SC..  trans6328.9-171.7-54.5-176.5178.4-176.20112.5D486 T510 M511 V512D486-K489 WeakPolarHBondContact O-CA 3.26Å; D486-K489 PolarHBondContact O-N 3.09Å; D486-K489 PolarHBondContact OD1-N 3.34Å; K489-T510 CarbonylContact O-C 3.53Å; K489-M511 PolarHBondContact O-N 2.79Å; K489-V512 WeakPolarHBondContact CB-O 3.35Å; K489-V512 PolarHBondContact O-N 3.07Å
490D98.5Very high92.4Very high15 Ų1529.4 Ų29.48%0.0816%0.155CC..  trans-93127.9173.8-69.3-24.6000109.5L485 D486 N488 Y492 K507 A509 T510L485-D490 WeakPolarHBondContact CA-O 3.4Å; D486-D490 PolarHBondContact N-O 3.29Å; D486-D490 VanDerWaalsContact N-O 3.1Å; D486-D490 WeakPolarHBondContact OD1-CB 3.24Å; D486-D490 PolarHBondContact OD1-N 2.81Å; N488-D490 PolarHBondContact O-N 2.78Å; D490-Y492 HydrophobicContact CB-CD2 4.2Å; D490-Y492 HydrophobicContact CB-CE2 3.49Å; D490-Y492 VanDerWaalsContact CB-CE2 3.49Å; D490-K507 HydrophobicContact CB-CD 4.16Å; D490-K507 HydrophobicContact CB-CG 4.44Å; D490-K507 IonicContact OD1-NZ 2.82Å; D490-K507 WeakPolarHBondContact OD2-CE 3.28Å; D490-K507 IonicContact OD2-NZ 3.85Å; D490-K507 PolarHBondContact OD2-NZ 3.28Å; D490-A509 WeakPolarHBondContact CA-O 3.23Å; D490-T510 WeakPolarHBondContact OD1-CA 3.03Å; D490-T510 WeakPolarHBondContact OD1-CB 3.19Å; D490-T510 WeakPolarHBondContact OD1-CG2 3.21Å
491L98.5Very high91.3Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-93.2122.6176.1178.966.1000109.1A483 L484 L508 A509 V512 F515 L524 A526 W535A483-L491 HydrophobicContact CB-CD1 4.34Å; L484-L491 WeakPolarHBondContact O-CA 3.46Å; L484-L491 WeakPolarHBondContact O-CD1 3.37Å; L491-L508 HydrophobicContact CD2-CB 4.45Å; L491-L508 HydrophobicContact CD2-CD1 4.41Å; L491-L508 HydrophobicContact CG-CB 4.46Å; L491-L508 PolarHBondContact O-N 2.91Å; L491-A509 PolarHBondContact N-O 3.08Å; L491-A509 PolarHBondContact O-N 3.34Å; L491-V512 HydrophobicContact CB-CB 4.24Å; L491-V512 HydrophobicContact CB-CG1 4.39Å; L491-V512 HydrophobicContact CB-CG2 3.61Å; L491-V512 HydrophobicContact CD2-CG2 4.49Å; L491-F515 HydrophobicContact CD1-CB 4.12Å; L491-F515 HydrophobicContact CD1-CD1 3.73Å; L491-F515 HydrophobicContact CD1-CD2 4.01Å; L491-F515 HydrophobicContact CD1-CE1 4.08Å; L491-F515 HydrophobicContact CD1-CE2 4.33Å; L491-F515 HydrophobicContact CD1-CG 3.68Å; L491-F515 HydrophobicContact CD1-CZ 4.36Å; L491-F515 HydrophobicContact CD2-CB 4.25Å; L491-L524 HydrophobicContact CD2-CD2 4.34Å; L491-A526 HydrophobicContact CD2-CB 3.83Å; L491-W535 HydrophobicContact CD2-CH2 3.9Å; L491-W535 HydrophobicContact CD2-CZ3 3.84Å
492Y98.5Very high90.4Very high33 Ų3342.9 Ų42.913%0.12922%0.224CC..EExtended strand (participates in β ladder)trans-113.8148.3176.6-67.3-98.4000111H462 A483 L484 D486 D490 M505 I506 K507H462-Y492 AromaticContact CE1-CE2 3.78Å; H462-Y492 AromaticContact CE1-CZ 3.98Å; H462-Y492 AromaticContact NE2-CE2 3.82Å; A483-Y492 CarbonylContact C-O 3.55Å; A483-Y492 VanDerWaalsContact CA-O 3.23Å; A483-Y492 WeakPolarHBondContact CA-O 3.13Å; L484-Y492 HydrophobicContact CD1-CD2 3.85Å; L484-Y492 HydrophobicContact CD1-CG 4.26Å; L484-Y492 PolarHBondContact N-O 2.93Å; L484-Y492 PolarHBondContact O-N 3.49Å; D486-Y492 WeakPolarHBondContact OD2-CE2 3.16Å; D490-Y492 HydrophobicContact CB-CD2 4.2Å; D490-Y492 HydrophobicContact CB-CE2 3.49Å; D490-Y492 VanDerWaalsContact CB-CE2 3.49Å; Y492-M505 HydrophobicContact CD1-CG 3.95Å; Y492-M505 HydrophobicContact CD1-SD 3.79Å; Y492-M505 HydrophobicContact CE1-SD 4.3Å; Y492-M505 HydrophobicContact CG-SD 4.35Å; Y492-I506 CarbonylContact C-O 3.57Å; Y492-I506 VanDerWaalsContact CA-O 3.25Å; Y492-I506 WeakPolarHBondContact CA-O 3.37Å; Y492-K507 HydrophobicContact CD1-CB 3.92Å; Y492-K507 HydrophobicContact CE1-CB 3.68Å; Y492-K507 HydrophobicContact CE1-CG 4.21Å; Y492-K507 VanDerWaalsContact CZ-CE 3.43Å; Y492-K507 WeakPolarHBondContact OH-CE 3.45Å; Y492-K507 PolarHBondContact OH-NZ 2.95Å
493L97.7Very high89.9Confident0 Ų045.5 Ų45.50%023%0.233CC..EExtended strand (participates in β ladder)trans-116137.9168.6-17572.3000109.1R481 A483 M505 I506 L508 W517 P538 L542R481-L493 HydrophobicContact CB-CD1 3.96Å; A483-L493 HydrophobicContact CB-CD1 4.49Å; L493-M505 CarbonylContact O-C 3.53Å; L493-M505 WeakPolarHBondContact O-CA 3.46Å; L493-I506 HydrophobicContact CB-CG2 4.2Å; L493-I506 PolarHBondContact N-O 3.02Å; L493-I506 PolarHBondContact O-N 3.13Å; L493-L508 HydrophobicContact CB-CD1 3.8Å; L493-L508 HydrophobicContact CB-CD2 4.25Å; L493-L508 HydrophobicContact CB-CG 3.89Å; L493-L508 HydrophobicContact CD2-CD1 4.48Å; L493-W517 HydrophobicContact CD1-CH2 3.77Å; L493-W517 HydrophobicContact CD1-CZ2 3.57Å; L493-P538 HydrophobicContact CD2-CB 4.04Å; L493-P538 WeakPolarHBondContact CD2-O 3.3Å; L493-L542 HydrophobicContact CD2-CD1 4.15Å; L493-L542 HydrophobicContact CD2-CG 4.23Å; L493-L542 HydrophobicContact CG-CD1 4.3Å
494M95.3Very high89.4Confident0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans-143.1158.8175.269.1179.972.200113.2I460 R481 L482 L484 K504 M505I460-M494 HydrophobicContact CD1-SD 3.79Å; I460-M494 HydrophobicContact CG2-CE 4.4Å; I460-M494 HydrophobicContact CG2-SD 3.97Å; R481-M494 WeakPolarHBondContact CA-O 3.11Å; R481-M494 WeakPolarHBondContact CD-O 3.35Å; L482-M494 HydrophobicContact CB-CG 3.86Å; L482-M494 HydrophobicContact CD2-CG 4.35Å; L482-M494 HydrophobicContact CD2-SD 4.02Å; L482-M494 HydrophobicContact CG-CG 4.48Å; L482-M494 PolarHBondContact N-O 3.13Å; L482-M494 PolarHBondContact O-N 3.45Å; L484-M494 HydrophobicContact CD2-CE 3.21Å; L484-M494 HydrophobicContact CG-CE 4.04Å; M494-K504 VanDerWaalsContact CA-O 3.27Å; M494-K504 WeakPolarHBondContact CA-O 3.35Å; M494-K504 VanDerWaalsContact CB-O 3.29Å; M494-K504 WeakPolarHBondContact CB-O 3.21Å; M494-M505 HydrophobicContact CB-CB 4.04Å; M494-M505 HydrophobicContact CB-CG 4.16Å; M494-M505 HydrophobicContact CE-CE 3.27Å; M494-M505 HydrophobicContact CE-CG 4.19Å; M494-M505 HydrophobicContact CE-SD 4.34Å; M494-M505 HydrophobicContact SD-CE 4.36Å
495S92.7Very high89.1Confident6 Ų652 Ų524%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-79.5140.1167.3-174.10000110.8R497 R503 K504S495-R497 PolarHBondContact OG-N 3.16Å; S495-R497 PolarHBondContact OG-O 3.29Å; S495-R503 WeakPolarHBondContact O-CD 3.22Å; S495-R503 WeakPolarHBondContact O-CG 3.27Å; S495-K504 PolarHBondContact N-O 3.09Å; S495-K504 VanDerWaalsContact N-O 3.1Å
496I91.9Very high89Confident16 Ų1653.6 Ų53.68%0.08227%0.272CS..SBendtrans-72.5-40.4170.9-68-59.4000110.9V431 L445 L471 R480 L482V431-I496 HydrophobicContact CG1-CD1 4.49Å; V431-I496 HydrophobicContact CG2-CG2 4.11Å; L445-I496 HydrophobicContact CD1-CD1 3.95Å; L445-I496 HydrophobicContact CD1-CG2 4Å; L445-I496 HydrophobicContact CD2-CD1 4.12Å; L471-I496 HydrophobicContact CD2-CD1 4Å; L471-I496 HydrophobicContact CD2-CG1 4.01Å; R480-I496 HydrophobicContact CB-CB 4.39Å; R480-I496 HydrophobicContact CB-CG1 4.29Å; R480-I496 HydrophobicContact CG-CB 4.28Å; R480-I496 HydrophobicContact CG-CG1 3.71Å; R480-I496 PolarHBondContact O-N 2.96Å; L482-I496 HydrophobicContact CB-CD1 3.69Å; L482-I496 HydrophobicContact CB-CG1 4.4Å; L482-I496 HydrophobicContact CD2-CD1 4.11Å; L482-I496 HydrophobicContact CG-CD1 4.45Å
497R84.6Confident89Confident110 Ų11057.8 Ų57.842%0.41529%0.29SS..SBendtrans-72.8136.8177.3-174178.5176.4-151.2-6.9109.8S495 L499 E678S495-R497 PolarHBondContact OG-N 3.16Å; S495-R497 PolarHBondContact OG-O 3.29Å; R497-L499 HydrophobicContact CG-CG 4.45Å; R497-E678 IonicContact NH2-OE1 3.25Å
498I81Confident89.1Confident71 Ų7156.4 Ų56.436%0.36428%0.278SS..  trans-88.7114.3169.3-58.7168.5000107.1R503I498-R503 HydrophobicContact CG1-CB 4.33Å
499L67.7Low89.2Confident32 Ų3252.9 Ų52.917%0.16826%0.262CS..BIsolated β-bridgetrans-100113.6172.7-76152.6000107.3R497 Q677 E678R497-L499 HydrophobicContact CG-CG 4.45Å; L499-Q677 PolarHBondContact O-OE1 2.79Å; L499-E678 HydrophobicContact CD2-CG 4.34Å; L499-E678 WeakPolarHBondContact CD2-OE1 3.5Å
500G69.4Low89.2Confident48 Ų4851.5 Ų51.550%0.49526%0.262SS..THydrogen-bonded Turntrans69.8-127-172.600000113.8Q677G500-Q677 VanDerWaalsContact CA-OE1 3.29Å
501N71Confident89.1Confident145 Ų14555.4 Ų55.478%0.77528%0.281SS*.THydrogen-bonded Turntrans-93.8-21.7-167.4-68.5-3.7000114.2
502Q77.9Confident89Confident163 Ų16355.5 Ų55.576%0.76228%0.281SS*.BIsolated β-bridgetrans-140.8150-172.9-68.8-172.1-17.400111.5
503R86.9Confident88.7Confident54 Ų5457.2 Ų57.220%0.20430%0.298CS..  trans-76.2124.4175.9-168.2175.2-62-142.95.2109.4S495 I498 M505S495-R503 WeakPolarHBondContact O-CD 3.22Å; S495-R503 WeakPolarHBondContact O-CG 3.27Å; I498-R503 HydrophobicContact CG1-CB 4.33Å; R503-M505 PolarHBondContact O-N 3.18Å
504K88.7Confident88.6Confident61 Ų6157.5 Ų57.527%0.26530%0.3SS..  trans-65.4126.7173.3-68.2-173.8174.1-173.60109.5M494 S495 L542 G674M494-K504 VanDerWaalsContact CA-O 3.27Å; M494-K504 WeakPolarHBondContact CA-O 3.35Å; M494-K504 VanDerWaalsContact CB-O 3.29Å; M494-K504 WeakPolarHBondContact CB-O 3.21Å; S495-K504 PolarHBondContact N-O 3.09Å; S495-K504 VanDerWaalsContact N-O 3.1Å; K504-L542 HydrophobicContact CB-CD2 4.19Å; K504-G674 PolarHBondContact NZ-O 3.4Å
505M92.8Very high88.7Confident75 Ų7557.5 Ų57.537%0.36930%0.3SS..EExtended strand (participates in β ladder)trans-142.5139.8177.7-178.5-162.7-73.600108.4Y492 L493 M494 R503Y492-M505 HydrophobicContact CD1-CG 3.95Å; Y492-M505 HydrophobicContact CD1-SD 3.79Å; Y492-M505 HydrophobicContact CE1-SD 4.3Å; Y492-M505 HydrophobicContact CG-SD 4.35Å; L493-M505 CarbonylContact O-C 3.53Å; L493-M505 WeakPolarHBondContact O-CA 3.46Å; M494-M505 HydrophobicContact CB-CB 4.04Å; M494-M505 HydrophobicContact CB-CG 4.16Å; M494-M505 HydrophobicContact CE-CE 3.27Å; M494-M505 HydrophobicContact CE-CG 4.19Å; M494-M505 HydrophobicContact CE-SD 4.34Å; M494-M505 HydrophobicContact SD-CE 4.36Å; R503-M505 PolarHBondContact O-N 3.18Å
506I94.7Very high88.9Confident47 Ų4758.4 Ų58.424%0.24131%0.305CS..EExtended strand (participates in β ladder)trans-137.9146.4175.5-167165.7000110.4Y492 L493 L508 A541 L542Y492-I506 CarbonylContact C-O 3.57Å; Y492-I506 VanDerWaalsContact CA-O 3.25Å; Y492-I506 WeakPolarHBondContact CA-O 3.37Å; L493-I506 HydrophobicContact CB-CG2 4.2Å; L493-I506 PolarHBondContact N-O 3.02Å; L493-I506 PolarHBondContact O-N 3.13Å; I506-L508 HydrophobicContact CG2-CD2 4.21Å; I506-A541 HydrophobicContact CD1-CB 4.27Å; I506-A541 WeakPolarHBondContact CD1-O 3.39Å; I506-A541 HydrophobicContact CG2-CB 3.84Å; I506-L542 HydrophobicContact CB-CD2 4.15Å; I506-L542 HydrophobicContact CG2-CD2 3.65Å; I506-L542 HydrophobicContact CG2-CG 4.29Å
507K96.7Very high89.1Confident90 Ų9058.2 Ų58.239%0.39130%0.303SS..EExtended strand (participates in β ladder)trans-82.8120.3170.4-173.8-178.7-61-1680108.9D490 Y492 T510D490-K507 HydrophobicContact CB-CD 4.16Å; D490-K507 HydrophobicContact CB-CG 4.44Å; D490-K507 IonicContact OD1-NZ 2.82Å; D490-K507 WeakPolarHBondContact OD2-CE 3.28Å; D490-K507 IonicContact OD2-NZ 3.85Å; D490-K507 PolarHBondContact OD2-NZ 3.28Å; Y492-K507 HydrophobicContact CD1-CB 3.92Å; Y492-K507 HydrophobicContact CE1-CB 3.68Å; Y492-K507 HydrophobicContact CE1-CG 4.21Å; Y492-K507 VanDerWaalsContact CZ-CE 3.43Å; Y492-K507 WeakPolarHBondContact OH-CE 3.45Å; Y492-K507 PolarHBondContact OH-NZ 2.95Å; K507-T510 HydrophobicContact CD-CG2 4.02Å
508L96.4Very high89.7Confident25 Ų2553 Ų5313%0.13128%0.283CS..EExtended strand (participates in β ladder)trans-85.1-45.1177.8-67.3-176.8000112.1L491 L493 I506 L524 W535 A541 I548L491-L508 HydrophobicContact CD2-CB 4.45Å; L491-L508 HydrophobicContact CD2-CD1 4.41Å; L491-L508 HydrophobicContact CG-CB 4.46Å; L491-L508 PolarHBondContact O-N 2.91Å; L493-L508 HydrophobicContact CB-CD1 3.8Å; L493-L508 HydrophobicContact CB-CD2 4.25Å; L493-L508 HydrophobicContact CB-CG 3.89Å; L493-L508 HydrophobicContact CD2-CD1 4.48Å; I506-L508 HydrophobicContact CG2-CD2 4.21Å; L508-L524 HydrophobicContact CD1-CD2 3.6Å; L508-W535 HydrophobicContact CB-CZ2 4.14Å; L508-A541 HydrophobicContact CD2-CB 3.74Å; L508-I548 HydrophobicContact CD2-CD1 3.76Å
509A96.6Very high90.3Very high17 Ų1750.8 Ų50.814%0.1427%0.272CS..EExtended strand (participates in β ladder)trans-153.9162.5-175.200000112D490 L491 V512 T528 W535D490-A509 WeakPolarHBondContact CA-O 3.23Å; L491-A509 PolarHBondContact N-O 3.08Å; L491-A509 PolarHBondContact O-N 3.34Å; A509-V512 HydrophobicContact CB-CG2 3.74Å; A509-T528 HydrophobicContact CB-CG2 3.95Å; A509-W535 HydrophobicContact CB-CH2 4.01Å; A509-W535 HydrophobicContact CB-CZ2 4.05Å
510T96.4Very high91.5Very high73 Ų7350.5 Ų50.545%0.44827%0.271SS..SBendtrans-115.4162.9175.162.20000110K489 D490 K507 V512K489-T510 CarbonylContact O-C 3.53Å; D490-T510 WeakPolarHBondContact OD1-CA 3.03Å; D490-T510 WeakPolarHBondContact OD1-CB 3.19Å; D490-T510 WeakPolarHBondContact OD1-CG2 3.21Å; K507-T510 HydrophobicContact CD-CG2 4.02Å; T510-V512 PolarHBondContact O-N 3.13Å
511M95Very high92.7Very high98 Ų9848.2 Ų48.248%0.48325%0.248SC..SBendtrans57.236.1177.1-60.2-67.1-72.900113.3K489 N529K489-M511 PolarHBondContact O-N 2.79Å; M511-N529 WeakPolarHBondContact CB-OD1 3.33Å; M511-N529 WeakPolarHBondContact CG-OD1 3.47Å; M511-N529 PolarHBondContact O-N 3.49Å
512V96.8Very high93.9Very high1 Ų142.6 Ų42.61%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-81.4126.7179.3-177.80000110.3L485 K489 L491 A509 T510 F515 A526 I527 T528L485-V512 HydrophobicContact CD1-CB 3.71Å; L485-V512 HydrophobicContact CD1-CG1 4.07Å; K489-V512 WeakPolarHBondContact CB-O 3.35Å; K489-V512 PolarHBondContact O-N 3.07Å; L491-V512 HydrophobicContact CB-CB 4.24Å; L491-V512 HydrophobicContact CB-CG1 4.39Å; L491-V512 HydrophobicContact CB-CG2 3.61Å; L491-V512 HydrophobicContact CD2-CG2 4.49Å; A509-V512 HydrophobicContact CB-CG2 3.74Å; T510-V512 PolarHBondContact O-N 3.13Å; V512-F515 HydrophobicContact CG1-CB 4.47Å; V512-A526 HydrophobicContact CG1-CB 3.94Å; V512-I527 CarbonylContact C-O 3.57Å; V512-I527 VanDerWaalsContact CA-O 3.31Å; V512-I527 WeakPolarHBondContact CA-O 3.16Å; V512-T528 HydrophobicContact CB-CG2 4.42Å; V512-T528 HydrophobicContact CG2-CG2 3.65Å
513S92.7Very high94.9Very high69 Ų6934.9 Ų34.948%0.48318%0.182SC..EExtended strand (participates in β ladder)trans-94.8-34.2175.659.70000113I527S513-I527 PolarHBondContact N-O 3.37Å; S513-I527 WeakPolarHBondContact OG-CG2 3.33Å; S513-I527 PolarHBondContact OG-O 2.87Å
514S94.9Very high95.4Very high6 Ų632.3 Ų32.34%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-151.1147.1-178.3179.80000110A526 I527 L567S514-A526 CarbonylContact O-C 3.58Å; S514-A526 WeakPolarHBondContact O-CA 3.23Å; S514-I527 PolarHBondContact O-N 2.95Å; S514-L567 WeakPolarHBondContact OG-CB 3.45Å; S514-L567 PolarHBondContact OG-N 2.78Å
515F97.7Very high95.9Very high0 Ų029.4 Ų29.40%016%0.159CC..EExtended strand (participates in β ladder)trans-145.1157.6171.977.9-87.5000111.5K468 A483 L485 L491 V512 L524 A525 A526K468-F515 HydrophobicContact CB-CE1 3.77Å; K468-F515 HydrophobicContact CB-CZ 4.34Å; K468-F515 HydrophobicContact CD-CD1 4.05Å; K468-F515 HydrophobicContact CD-CE1 3.67Å; K468-F515 HydrophobicContact CD-CZ 4.17Å; K468-F515 HydrophobicContact CG-CD1 4.42Å; K468-F515 HydrophobicContact CG-CE1 3.56Å; K468-F515 HydrophobicContact CG-CZ 3.81Å; K468-F515 PolarHBondContact NZ-O 3.15Å; A483-F515 HydrophobicContact CB-CD2 4.07Å; A483-F515 HydrophobicContact CB-CE2 3.55Å; A483-F515 HydrophobicContact CB-CZ 4.27Å; L485-F515 HydrophobicContact CB-CD1 3.89Å; L485-F515 HydrophobicContact CB-CE1 3.52Å; L485-F515 HydrophobicContact CD2-CD1 4.42Å; L491-F515 HydrophobicContact CD1-CB 4.12Å; L491-F515 HydrophobicContact CD1-CD1 3.73Å; L491-F515 HydrophobicContact CD1-CD2 4.01Å; L491-F515 HydrophobicContact CD1-CE1 4.08Å; L491-F515 HydrophobicContact CD1-CE2 4.33Å; L491-F515 HydrophobicContact CD1-CG 3.68Å; L491-F515 HydrophobicContact CD1-CZ 4.36Å; L491-F515 HydrophobicContact CD2-CB 4.25Å; V512-F515 HydrophobicContact CG1-CB 4.47Å; F515-L524 HydrophobicContact CD2-CD1 3.97Å; F515-A525 CarbonylContact C-O 3.51Å; F515-A525 WeakPolarHBondContact CA-O 3.44Å; F515-A525 WeakPolarHBondContact CB-O 3.33Å; F515-A526 HydrophobicContact CB-CB 3.81Å
516L96.6Very high96.1Very high26 Ų2625.9 Ų25.914%0.13614%0.142CC..EExtended strand (participates in β ladder)trans-159.6136.3-175.4-17261.4000112.7A525 L567 N569 F570L516-A525 PolarHBondContact N-O 3.07Å; L516-A525 PolarHBondContact O-N 3Å; L516-L567 HydrophobicContact CB-CB 4.01Å; L516-L567 HydrophobicContact CB-CD1 4.21Å; L516-L567 HydrophobicContact CD2-CB 4.17Å; L516-N569 VanDerWaalsContact CD2-CA 3.44Å; L516-F570 HydrophobicContact CD2-CB 3.8Å; L516-F570 HydrophobicContact CG-CB 4.05Å
517W97.7Very high96.2Very high11 Ų1123.8 Ų23.84%0.04213%0.131CC..EExtended strand (participates in β ladder)trans-83146.4170.4-73101.5000111.5S470 L471 N472 R481 A483 L493 I523 L524 P538S470-W517 PolarHBondContact O-NE1 3.42Å; L471-W517 VanDerWaalsContact C-CD1 3.5Å; N472-W517 HydrophobicContact CB-CD2 3.74Å; N472-W517 HydrophobicContact CB-CE3 3.64Å; N472-W517 HydrophobicContact CB-CG 4.36Å; N472-W517 HydrophobicContact CB-CH2 4.1Å; N472-W517 HydrophobicContact CB-CZ2 4.17Å; N472-W517 HydrophobicContact CB-CZ3 3.83Å; R481-W517 HydrophobicContact CB-CH2 4.36Å; R481-W517 HydrophobicContact CB-CZ2 4.32Å; A483-W517 HydrophobicContact CB-CZ2 4.02Å; L493-W517 HydrophobicContact CD1-CH2 3.77Å; L493-W517 HydrophobicContact CD1-CZ2 3.57Å; W517-I523 VanDerWaalsContact CE3-O 3.32Å; W517-L524 HydrophobicContact CD2-CB 4.36Å; W517-L524 HydrophobicContact CD2-CD1 3.81Å; W517-L524 HydrophobicContact CE3-CB 3.98Å; W517-L524 HydrophobicContact CE3-CD1 4.3Å; W517-L524 HydrophobicContact CG-CD1 4.03Å; W517-L524 HydrophobicContact CH2-CB 4.24Å; W517-L524 HydrophobicContact CH2-CD2 4.4Å; W517-L524 HydrophobicContact CZ2-CD1 4.31Å; W517-L524 HydrophobicContact CZ2-CD2 4.26Å; W517-L524 HydrophobicContact CZ3-CB 3.92Å; W517-P538 HydrophobicContact CH2-CB 4.47Å; W517-P538 HydrophobicContact CH2-CG 3.58Å; W517-P538 HydrophobicContact CZ3-CG 3.52Å
518A96.1Very high96.1Very high0 Ų020.3 Ų20.30%012%0.117CC..  trans-66.3138.2164.900000110.8T520 I523 F570A518-T520 VanDerWaalsContact C-N 3.33Å; A518-I523 HydrophobicContact CB-CB 3.99Å; A518-I523 PolarHBondContact N-O 3.46Å; A518-F570 CarbonylContact C-O 3.59Å; A518-F570 WeakPolarHBondContact CA-O 3.27Å; A518-F570 HydrophobicContact CB-CD1 3.8Å; A518-F570 HydrophobicContact CB-CD2 4.07Å; A518-F570 HydrophobicContact CB-CE1 3.91Å; A518-F570 HydrophobicContact CB-CE2 4.17Å; A518-F570 HydrophobicContact CB-CG 3.88Å; A518-F570 HydrophobicContact CB-CZ 4.07Å
519E93.5Very high95.6Very high26 Ų2623.9 Ų23.912%0.12114%0.137CC..SBendtrans-70.6-29177.2-71.8-172.5-173.900112.9W308 F347 F570 Y571W308-E519 PolarHBondContact NE1-OE2 2.93Å; F347-E519 HydrophobicContact CE1-CB 4.43Å; F347-E519 HydrophobicContact CE1-CG 4.49Å; F347-E519 HydrophobicContact CZ-CG 4.29Å; E519-F570 PolarHBondContact N-O 2.87Å; E519-Y571 HydrophobicContact CB-CD2 4.23Å
520T93.1Very high94.9Very high25 Ų2526.5 Ų26.515%0.15315%0.148CC..SBendtrans-102.7-9.7-168.850.80000114.6M474 A518 Y571 R572 D594M474-T520 VanDerWaalsContact CG-C 3.46Å; M474-T520 WeakPolarHBondContact CG-O 3.39Å; A518-T520 VanDerWaalsContact C-N 3.33Å; T520-Y571 HydrophobicContact CG2-CD2 3.92Å; T520-Y571 HydrophobicContact CG2-CE2 3.59Å; T520-R572 HydrophobicContact CG2-CG 3.85Å; T520-R572 WeakPolarHBondContact OG1-CA 3.44Å; T520-R572 WeakPolarHBondContact OG1-CG 3.23Å; T520-R572 PolarHBondContact OG1-N 3.06Å; T520-D594 PolarHBondContact OG1-OD1 3.39Å
521S95.3Very high94.7Very high1 Ų126.5 Ų26.51%0.00714%0.142CC..SBendtrans-153.6167.9-175.149.20000110.8I523 D594S521-I523 PolarHBondContact O-N 2.91Å; S521-I523 VanDerWaalsContact O-N 3.08Å; S521-I523 VanDerWaalsContact OG-CD1 3.27Å; S521-I523 WeakPolarHBondContact OG-CD1 3.4Å; S521-I523 WeakPolarHBondContact OG-CG1 3.14Å; S521-D594 WeakPolarHBondContact CB-OD1 3.38Å; S521-D594 PolarHBondContact OG-OD1 3.02Å
522N95.8Very high94.7Very high27 Ų2721.9 Ų21.914%0.14412%0.119CC..SBendtrans-86.652.2177-73.2-26.1000111N472 M474 P538N472-N522 PolarHBondContact ND2-OD1 2.91Å; M474-N522 PolarHBondContact O-OD1 2.9Å; N522-P538 WeakPolarHBondContact O-CD 3.25Å
523I97.9Very high94.7Very high1 Ų122 Ų221%0.00512%0.12CC..  trans-105.4139.6177.7-59.1173000108.5W517 A518 S521 I534 W535 F536 F570 P593 D594W517-I523 VanDerWaalsContact CE3-O 3.32Å; A518-I523 HydrophobicContact CB-CB 3.99Å; A518-I523 PolarHBondContact N-O 3.46Å; S521-I523 PolarHBondContact O-N 2.91Å; S521-I523 VanDerWaalsContact O-N 3.08Å; S521-I523 VanDerWaalsContact OG-CD1 3.27Å; S521-I523 WeakPolarHBondContact OG-CD1 3.4Å; S521-I523 WeakPolarHBondContact OG-CG1 3.14Å; I523-I534 HydrophobicContact CG2-CG2 3.68Å; I523-W535 WeakPolarHBondContact CA-O 3.46Å; I523-W535 WeakPolarHBondContact CG2-O 3.42Å; I523-F536 HydrophobicContact CD1-CD1 4.01Å; I523-F536 HydrophobicContact CG1-CD1 4.44Å; I523-F536 HydrophobicContact CG2-CD1 4.14Å; I523-F570 HydrophobicContact CB-CE1 4.27Å; I523-F570 HydrophobicContact CB-CZ 4.32Å; I523-F570 HydrophobicContact CG2-CE1 3.64Å; I523-F570 HydrophobicContact CG2-CZ 3.66Å; I523-P593 HydrophobicContact CD1-CB 4.15Å; I523-D594 HydrophobicContact CD1-CB 4.31Å
524L98.3Very high95Very high0 Ų018.7 Ų18.70%010%0.097CC..EExtended strand (participates in β ladder)trans-120.8133.1179.7-178.563.2000109.7A483 L491 L508 F515 W517 I534 W535 P538A483-L524 HydrophobicContact CB-CD1 4.39Å; A483-L524 HydrophobicContact CB-CD2 4.26Å; L491-L524 HydrophobicContact CD2-CD2 4.34Å; L508-L524 HydrophobicContact CD1-CD2 3.6Å; F515-L524 HydrophobicContact CD2-CD1 3.97Å; W517-L524 HydrophobicContact CD2-CB 4.36Å; W517-L524 HydrophobicContact CD2-CD1 3.81Å; W517-L524 HydrophobicContact CE3-CB 3.98Å; W517-L524 HydrophobicContact CE3-CD1 4.3Å; W517-L524 HydrophobicContact CG-CD1 4.03Å; W517-L524 HydrophobicContact CH2-CB 4.24Å; W517-L524 HydrophobicContact CH2-CD2 4.4Å; W517-L524 HydrophobicContact CZ2-CD1 4.31Å; W517-L524 HydrophobicContact CZ2-CD2 4.26Å; W517-L524 HydrophobicContact CZ3-CB 3.92Å; L524-I534 CarbonylContact O-C 3.51Å; L524-I534 WeakPolarHBondContact O-CA 3.28Å; L524-W535 HydrophobicContact CB-CE3 4.16Å; L524-W535 HydrophobicContact CD2-CE3 4.08Å; L524-W535 HydrophobicContact CD2-CZ3 4.42Å; L524-W535 HydrophobicContact CG-CE3 3.96Å; L524-W535 HydrophobicContact CG-CZ3 4.35Å; L524-W535 PolarHBondContact N-O 2.83Å; L524-W535 PolarHBondContact O-N 2.82Å; L524-P538 HydrophobicContact CB-CB 4.33Å; L524-P538 HydrophobicContact CB-CG 3.95Å; L524-P538 HydrophobicContact CD2-CB 4.48Å
525A98.2Very high95.1Very high0 Ų018.6 Ų18.60%010%0.096CC..EExtended strand (participates in β ladder)trans-115.7145.1172.500000110.5F515 L516 L532 V533 I534 L567 F570 I575F515-A525 CarbonylContact C-O 3.51Å; F515-A525 WeakPolarHBondContact CA-O 3.44Å; F515-A525 WeakPolarHBondContact CB-O 3.33Å; L516-A525 PolarHBondContact N-O 3.07Å; L516-A525 PolarHBondContact O-N 3Å; A525-L532 HydrophobicContact CB-CD1 4.26Å; A525-V533 CarbonylContact C-O 3.54Å; A525-V533 WeakPolarHBondContact CA-O 3.24Å; A525-I534 HydrophobicContact CB-CG1 4.4Å; A525-L567 HydrophobicContact CB-CD1 4.08Å; A525-F570 HydrophobicContact CB-CD1 3.93Å; A525-F570 HydrophobicContact CB-CE1 3.84Å; A525-I575 HydrophobicContact CB-CD1 3.9Å
526A98.1Very high95.1Very high0 Ų018.7 Ų18.70%010%0.096CC..EExtended strand (participates in β ladder)trans-146.3154.7172.100000112.4L491 V512 S514 F515 T528 L532 V533 W535L491-A526 HydrophobicContact CD2-CB 3.83Å; V512-A526 HydrophobicContact CG1-CB 3.94Å; S514-A526 CarbonylContact O-C 3.58Å; S514-A526 WeakPolarHBondContact O-CA 3.23Å; F515-A526 HydrophobicContact CB-CB 3.81Å; A526-T528 HydrophobicContact CB-CG2 4.17Å; A526-L532 CarbonylContact O-C 3.52Å; A526-L532 WeakPolarHBondContact O-CA 3.4Å; A526-V533 PolarHBondContact N-O 2.8Å; A526-V533 PolarHBondContact O-N 2.57Å; A526-W535 HydrophobicContact CB-CH2 3.89Å; A526-W535 HydrophobicContact CB-CZ3 3.55Å
527I95.8Very high95.1Very high4 Ų417.6 Ų17.62%0.0219%0.09CC..EExtended strand (participates in β ladder)trans-102.2116.6172.5-58-178.6000108.3V512 S513 S514 K531 L532 I557 L565 L567V512-I527 CarbonylContact C-O 3.57Å; V512-I527 VanDerWaalsContact CA-O 3.31Å; V512-I527 WeakPolarHBondContact CA-O 3.16Å; S513-I527 PolarHBondContact N-O 3.37Å; S513-I527 WeakPolarHBondContact OG-CG2 3.33Å; S513-I527 PolarHBondContact OG-O 2.87Å; S514-I527 PolarHBondContact O-N 2.95Å; I527-K531 CarbonylContact C-O 3.6Å; I527-K531 VanDerWaalsContact CA-O 3.26Å; I527-K531 WeakPolarHBondContact CA-O 3.27Å; I527-L532 HydrophobicContact CG1-CD1 4.33Å; I527-I557 HydrophobicContact CD1-CD1 4.02Å; I527-I557 HydrophobicContact CG1-CD1 4.06Å; I527-I557 HydrophobicContact CG2-CD1 4.03Å; I527-L565 HydrophobicContact CD1-CB 3.51Å; I527-L567 HydrophobicContact CD1-CD2 3.68Å; I527-L567 HydrophobicContact CD1-CG 3.88Å; I527-L567 HydrophobicContact CG1-CD1 4.17Å; I527-L567 HydrophobicContact CG1-CD2 3.91Å; I527-L567 HydrophobicContact CG1-CG 3.91Å
528T94.4Very high95Very high16 Ų1617.2 Ų17.210%0.0989%0.089CC..EExtended strand (participates in β ladder)trans-131123.7-17476.90000109.8A509 V512 A526 D530 K531 V533A509-T528 HydrophobicContact CB-CG2 3.95Å; V512-T528 HydrophobicContact CB-CG2 4.42Å; V512-T528 HydrophobicContact CG2-CG2 3.65Å; A526-T528 HydrophobicContact CB-CG2 4.17Å; T528-D530 PolarHBondContact O-N 2.85Å; T528-K531 PolarHBondContact N-O 3.47Å; T528-K531 WeakPolarHBondContact O-CB 3.48Å; T528-K531 PolarHBondContact O-N 2.98Å; T528-V533 HydrophobicContact CG2-CG2 4.05Å; T528-V533 VanDerWaalsContact OG1-CG2 3.31Å; T528-V533 WeakPolarHBondContact OG1-CG2 3.27Å
529N87Confident94.9Very high101 Ų10117.8 Ų17.854%0.549%0.092SC..THydrogen-bonded Turntrans42.245.5-176.7-71.7-29.6000112.9M511 K531M511-N529 WeakPolarHBondContact CB-OD1 3.33Å; M511-N529 WeakPolarHBondContact CG-OD1 3.47Å; M511-N529 PolarHBondContact O-N 3.49Å; N529-K531 VanDerWaalsContact C-N 3.25Å; N529-K531 PolarHBondContact O-N 3.38Å
530D81.7Confident94.8Very high72 Ų7216.6 Ų16.639%0.3859%0.087SC..THydrogen-bonded Turntrans65.614.4-179.7-46.2-45.8000117T528 I557 I558T528-D530 PolarHBondContact O-N 2.85Å; D530-I557 VanDerWaalsContact O-CG1 3.22Å; D530-I557 WeakPolarHBondContact O-CG1 3.3Å; D530-I558 HydrophobicContact CB-CD1 3.15Å; D530-I558 HydrophobicContact CB-CG1 3.24Å
531K92.7Very high94.7Very high73 Ų7315.7 Ų15.732%0.3178%0.081SC..EExtended strand (participates in β ladder)trans-103.4146.7167.3-66.1179.6168.7-174.20111I527 T528 N529 E554 H555 N556I527-K531 CarbonylContact C-O 3.6Å; I527-K531 VanDerWaalsContact CA-O 3.26Å; I527-K531 WeakPolarHBondContact CA-O 3.27Å; T528-K531 PolarHBondContact N-O 3.47Å; T528-K531 WeakPolarHBondContact O-CB 3.48Å; T528-K531 PolarHBondContact O-N 2.98Å; N529-K531 VanDerWaalsContact C-N 3.25Å; N529-K531 PolarHBondContact O-N 3.38Å; K531-E554 WeakPolarHBondContact CD-OE2 3.46Å; K531-E554 IonicContact NZ-OE2 3.97Å; K531-E554 PolarHBondContact NZ-OE2 3.29Å; K531-H555 CarbonylContact C-O 3.59Å; K531-H555 WeakPolarHBondContact CA-O 3.31Å; K531-N556 WeakPolarHBondContact CE-OD1 3.25Å
532L95.2Very high94.4Very high0 Ų016.7 Ų16.70%09%0.086CC..EExtended strand (participates in β ladder)trans-86.8116.7164.2179.163.6000108.6A525 A526 I527 I534 E554 H555 I557 L567 I575A525-L532 HydrophobicContact CB-CD1 4.26Å; A526-L532 CarbonylContact O-C 3.52Å; A526-L532 WeakPolarHBondContact O-CA 3.4Å; I527-L532 HydrophobicContact CG1-CD1 4.33Å; L532-I534 HydrophobicContact CD2-CD1 4.25Å; L532-I534 HydrophobicContact CD2-CG1 4.46Å; L532-I534 HydrophobicContact CG-CD1 4.4Å; L532-I534 HydrophobicContact CG-CG1 4.12Å; L532-E554 CarbonylContact O-C 3.52Å; L532-E554 WeakPolarHBondContact O-CA 3.39Å; L532-H555 HydrophobicContact CB-CB 4.26Å; L532-H555 PolarHBondContact N-O 2.94Å; L532-H555 PolarHBondContact O-N 2.87Å; L532-I557 HydrophobicContact CB-CD1 3.93Å; L532-I557 HydrophobicContact CB-CG1 4.38Å; L532-I557 HydrophobicContact CB-CG2 3.56Å; L532-I557 HydrophobicContact CD2-CG2 4.35Å; L532-L567 HydrophobicContact CD1-CD1 4.36Å; L532-L567 HydrophobicContact CD1-CD2 4.18Å; L532-I575 HydrophobicContact CD2-CD1 4.06Å
533V96.6Very high93.8Very high4 Ų417.1 Ų17.12%0.0249%0.09CC..EExtended strand (participates in β ladder)trans-106.3129.3174.4-172.80000108.7A525 A526 T528 W535 E553 E554A525-V533 CarbonylContact C-O 3.54Å; A525-V533 WeakPolarHBondContact CA-O 3.24Å; A526-V533 PolarHBondContact N-O 2.8Å; A526-V533 PolarHBondContact O-N 2.57Å; T528-V533 HydrophobicContact CG2-CG2 4.05Å; T528-V533 VanDerWaalsContact OG1-CG2 3.31Å; T528-V533 WeakPolarHBondContact OG1-CG2 3.27Å; V533-W535 HydrophobicContact CB-CH2 3.99Å; V533-W535 HydrophobicContact CB-CZ2 4.19Å; V533-W535 HydrophobicContact CB-CZ3 4.38Å; V533-W535 HydrophobicContact CG1-CD2 4.26Å; V533-W535 HydrophobicContact CG1-CE3 4.5Å; V533-W535 HydrophobicContact CG1-CH2 3.83Å; V533-W535 HydrophobicContact CG1-CZ2 3.52Å; V533-W535 HydrophobicContact CG1-CZ3 4.3Å; V533-E553 WeakPolarHBondContact CA-O 3.28Å; V533-E554 HydrophobicContact CG1-CG 4.37Å; V533-E554 HydrophobicContact CG2-CG 4.14Å
534I97.7Very high93Very high0 Ų018.3 Ų18.30%010%0.096CC..EExtended strand (participates in β ladder)trans-120.7119-179.9-55.4167.3000107.9I523 L524 A525 L532 F536 Q552 E553 I575 I589I523-I534 HydrophobicContact CG2-CG2 3.68Å; L524-I534 CarbonylContact O-C 3.51Å; L524-I534 WeakPolarHBondContact O-CA 3.28Å; A525-I534 HydrophobicContact CB-CG1 4.4Å; L532-I534 HydrophobicContact CD2-CD1 4.25Å; L532-I534 HydrophobicContact CD2-CG1 4.46Å; L532-I534 HydrophobicContact CG-CD1 4.4Å; L532-I534 HydrophobicContact CG-CG1 4.12Å; I534-F536 HydrophobicContact CG2-CD1 4.05Å; I534-F536 HydrophobicContact CG2-CE1 3.79Å; I534-F536 HydrophobicContact CG2-CE2 4.43Å; I534-F536 HydrophobicContact CG2-CG 4.49Å; I534-F536 HydrophobicContact CG2-CZ 4.01Å; I534-Q552 CarbonylContact O-C 3.54Å; I534-Q552 WeakPolarHBondContact O-CA 3.32Å; I534-Q552 WeakPolarHBondContact O-CB 3.28Å; I534-E553 PolarHBondContact N-O 3.04Å; I534-E553 PolarHBondContact O-N 2.88Å; I534-I575 HydrophobicContact CD1-CD1 3.96Å; I534-I575 HydrophobicContact CG1-CD1 4.21Å; I534-I589 HydrophobicContact CD1-CB 4.18Å; I534-I589 HydrophobicContact CD1-CD1 4.33Å; I534-I589 HydrophobicContact CD1-CG2 3.41Å; I534-I589 VanDerWaalsContact CD1-CG2 3.41Å
535W97.7Very high92.3Very high3 Ų321.2 Ų21.21%0.01112%0.117CC..EExtended strand (participates in β ladder)trans-95.5108.4169.2-61-84.2000109L491 L508 A509 I523 L524 A526 V533 Y537 P538 Q552L491-W535 HydrophobicContact CD2-CH2 3.9Å; L491-W535 HydrophobicContact CD2-CZ3 3.84Å; L508-W535 HydrophobicContact CB-CZ2 4.14Å; A509-W535 HydrophobicContact CB-CH2 4.01Å; A509-W535 HydrophobicContact CB-CZ2 4.05Å; I523-W535 WeakPolarHBondContact CA-O 3.46Å; I523-W535 WeakPolarHBondContact CG2-O 3.42Å; L524-W535 HydrophobicContact CB-CE3 4.16Å; L524-W535 HydrophobicContact CD2-CE3 4.08Å; L524-W535 HydrophobicContact CD2-CZ3 4.42Å; L524-W535 HydrophobicContact CG-CE3 3.96Å; L524-W535 HydrophobicContact CG-CZ3 4.35Å; L524-W535 PolarHBondContact N-O 2.83Å; L524-W535 PolarHBondContact O-N 2.82Å; A526-W535 HydrophobicContact CB-CH2 3.89Å; A526-W535 HydrophobicContact CB-CZ3 3.55Å; V533-W535 HydrophobicContact CB-CH2 3.99Å; V533-W535 HydrophobicContact CB-CZ2 4.19Å; V533-W535 HydrophobicContact CB-CZ3 4.38Å; V533-W535 HydrophobicContact CG1-CD2 4.26Å; V533-W535 HydrophobicContact CG1-CE3 4.5Å; V533-W535 HydrophobicContact CG1-CH2 3.83Å; V533-W535 HydrophobicContact CG1-CZ2 3.52Å; V533-W535 HydrophobicContact CG1-CZ3 4.3Å; W535-Y537 VanDerWaalsContact C-N 3.27Å; W535-Y537 PolarHBondContact O-N 3.46Å; W535-P538 HydrophobicContact CB-CB 3.72Å; W535-P538 HydrophobicContact CB-CG 4.32Å; W535-P538 HydrophobicContact CG-CB 4.34Å; W535-P538 WeakPolarHBondContact O-CD 3.47Å; W535-Q552 HydrophobicContact CG-CB 4.38Å
536F97.6Very high91.7Very high2 Ų226.8 Ų26.81%0.00915%0.147CC..SBendtrans-71.8-22.7178.5-67-67.1000113I523 I534 T551 E553 I589 P593 H597 I619 C623I523-F536 HydrophobicContact CD1-CD1 4.01Å; I523-F536 HydrophobicContact CG1-CD1 4.44Å; I523-F536 HydrophobicContact CG2-CD1 4.14Å; I534-F536 HydrophobicContact CG2-CD1 4.05Å; I534-F536 HydrophobicContact CG2-CE1 3.79Å; I534-F536 HydrophobicContact CG2-CE2 4.43Å; I534-F536 HydrophobicContact CG2-CG 4.49Å; I534-F536 HydrophobicContact CG2-CZ 4.01Å; F536-T551 WeakPolarHBondContact CB-O 3Å; F536-T551 PolarHBondContact N-O 2.86Å; F536-E553 HydrophobicContact CE2-CB 3.76Å; F536-E553 HydrophobicContact CZ-CB 4.42Å; F536-I589 HydrophobicContact CE1-CD1 4.13Å; F536-P593 HydrophobicContact CB-CB 4.09Å; F536-P593 HydrophobicContact CD1-CB 3.28Å; F536-P593 HydrophobicContact CD1-CG 3.46Å; F536-P593 VanDerWaalsContact CD1-CG 3.46Å; F536-P593 HydrophobicContact CD2-CG 4.43Å; F536-P593 HydrophobicContact CE1-CB 3.83Å; F536-P593 HydrophobicContact CE1-CG 3.57Å; F536-P593 HydrophobicContact CE2-CG 4.5Å; F536-P593 HydrophobicContact CG-CB 3.84Å; F536-P593 HydrophobicContact CG-CG 3.9Å; F536-P593 HydrophobicContact CZ-CG 4.11Å; F536-H597 PolarHBondContact O-NE2 3.03Å; F536-I619 HydrophobicContact CB-CG2 4.39Å; F536-I619 HydrophobicContact CD2-CG2 3.44Å; F536-I619 VanDerWaalsContact CD2-CG2 3.44Å; F536-I619 HydrophobicContact CE2-CD1 4.36Å; F536-I619 HydrophobicContact CE2-CG2 4Å; F536-I619 HydrophobicContact CG-CG2 4.17Å; F536-C623 VanDerWaalsContact CB-SG 3.59Å
537Y96Very high91.2Very high4 Ų426.8 Ų26.82%0.01615%0.147CC..SBendtrans-147.675.3170.1-176.2-129.4000111W535 D539 I540 G626 L627W535-Y537 VanDerWaalsContact C-N 3.27Å; W535-Y537 PolarHBondContact O-N 3.46Å; Y537-D539 HydrophobicContact CD2-CB 4.21Å; Y537-D539 HydrophobicContact CE2-CB 3.59Å; Y537-D539 PolarHBondContact O-N 3Å; Y537-D539 PolarHBondContact OH-OD2 3.08Å; Y537-I540 HydrophobicContact CD1-CB 3.65Å; Y537-I540 HydrophobicContact CD1-CD1 4.23Å; Y537-I540 HydrophobicContact CD1-CG1 4.3Å; Y537-I540 HydrophobicContact CD1-CG2 4.46Å; Y537-I540 HydrophobicContact CE1-CB 3.78Å; Y537-I540 HydrophobicContact CE1-CD1 4.46Å; Y537-I540 HydrophobicContact CE1-CG1 4.25Å; Y537-I540 WeakPolarHBondContact O-CG2 2.95Å; Y537-I540 PolarHBondContact O-N 3.47Å; Y537-G626 VanDerWaalsContact CE1-C 3.49Å; Y537-L627 HydrophobicContact CD1-CG 4.31Å; Y537-L627 HydrophobicContact CD2-CD2 3.7Å; Y537-L627 HydrophobicContact CD2-CG 4.09Å; Y537-L627 HydrophobicContact CE1-CD2 4.39Å; Y537-L627 HydrophobicContact CE1-CG 4.28Å; Y537-L627 HydrophobicContact CE2-CD2 3.37Å; Y537-L627 HydrophobicContact CE2-CG 4.04Å; Y537-L627 HydrophobicContact CG-CD2 4.36Å; Y537-L627 HydrophobicContact CG-CG 4.25Å
538P96.1Very high91Very high2 Ų227.7 Ų27.71%0.01315%0.151CC..G310 helixtrans-65.8-24.1-17327.6-33000113.2L493 W517 N522 L524 W535 I540 A541L493-P538 HydrophobicContact CD2-CB 4.04Å; L493-P538 WeakPolarHBondContact CD2-O 3.3Å; W517-P538 HydrophobicContact CH2-CB 4.47Å; W517-P538 HydrophobicContact CH2-CG 3.58Å; W517-P538 HydrophobicContact CZ3-CG 3.52Å; N522-P538 WeakPolarHBondContact O-CD 3.25Å; L524-P538 HydrophobicContact CB-CB 4.33Å; L524-P538 HydrophobicContact CB-CG 3.95Å; L524-P538 HydrophobicContact CD2-CB 4.48Å; W535-P538 HydrophobicContact CB-CB 3.72Å; W535-P538 HydrophobicContact CB-CG 4.32Å; W535-P538 HydrophobicContact CG-CB 4.34Å; W535-P538 WeakPolarHBondContact O-CD 3.47Å; P538-I540 PolarHBondContact O-N 2.94Å; P538-A541 WeakPolarHBondContact O-CB 3.27Å; P538-A541 PolarHBondContact O-N 2.93Å
539D93.3Very high90.9Very high13 Ų1332.2 Ų32.27%0.0718%0.175CC..G310 helixtrans-60.9-26.2178.7-17951.5000113R481 Y537 A541 L542R481-D539 IonicContact CZ-OD1 2.87Å; R481-D539 IonicContact NE-OD1 3.83Å; R481-D539 PolarHBondContact NE-OD1 3.28Å; R481-D539 IonicContact NH2-OD1 3.11Å; R481-D539 PolarHBondContact NH2-OD1 3.12Å; R481-D539 IonicContact NH2-OD2 3.54Å; Y537-D539 HydrophobicContact CD2-CB 4.21Å; Y537-D539 HydrophobicContact CE2-CB 3.59Å; Y537-D539 PolarHBondContact O-N 3Å; Y537-D539 PolarHBondContact OH-OD2 3.08Å; D539-A541 PolarHBondContact O-N 3.07Å; D539-A541 VanDerWaalsContact O-N 3.09Å; D539-L542 PolarHBondContact O-N 3.3Å
540I92.3Very high91.3Very high1 Ų129.3 Ų29.31%0.00516%0.159CC..G310 helixtrans-57.1-27.4174.2-153.1166.1000112.1Y537 P538 L542 T543 N544 I547 I548 T551Y537-I540 HydrophobicContact CD1-CB 3.65Å; Y537-I540 HydrophobicContact CD1-CD1 4.23Å; Y537-I540 HydrophobicContact CD1-CG1 4.3Å; Y537-I540 HydrophobicContact CD1-CG2 4.46Å; Y537-I540 HydrophobicContact CE1-CB 3.78Å; Y537-I540 HydrophobicContact CE1-CD1 4.46Å; Y537-I540 HydrophobicContact CE1-CG1 4.25Å; Y537-I540 WeakPolarHBondContact O-CG2 2.95Å; Y537-I540 PolarHBondContact O-N 3.47Å; P538-I540 PolarHBondContact O-N 2.94Å; I540-L542 PolarHBondContact O-N 3.09Å; I540-T543 PolarHBondContact O-N 2.85Å; I540-T543 VanDerWaalsContact O-N 3.15Å; I540-T543 PolarHBondContact O-OG1 2.81Å; I540-N544 HydrophobicContact CG1-CB 4.21Å; I540-N544 CarbonylContact O-C 3.5Å; I540-N544 WeakPolarHBondContact O-CA 3.43Å; I540-N544 PolarHBondContact O-N 3.34Å; I540-N544 VanDerWaalsContact O-O 3.08Å; I540-I547 HydrophobicContact CD1-CB 3.68Å; I540-I547 HydrophobicContact CD1-CD1 4.28Å; I540-I547 HydrophobicContact CD1-CG2 3.52Å; I540-I547 HydrophobicContact CG1-CB 4.4Å; I540-I548 HydrophobicContact CG2-CB 4.24Å; I540-I548 HydrophobicContact CG2-CG1 4.27Å; I540-T551 HydrophobicContact CD1-CG2 4.2Å; I540-T551 HydrophobicContact CG2-CG2 4.36Å
541A92.1Very high92Very high5 Ų525.9 Ų25.94%0.04114%0.141CC..G310 helixtrans-60.4-27.7177.400000113I506 L508 P538 D539 I548I506-A541 HydrophobicContact CD1-CB 4.27Å; I506-A541 WeakPolarHBondContact CD1-O 3.39Å; I506-A541 HydrophobicContact CG2-CB 3.84Å; L508-A541 HydrophobicContact CD2-CB 3.74Å; P538-A541 WeakPolarHBondContact O-CB 3.27Å; P538-A541 PolarHBondContact O-N 2.93Å; D539-A541 PolarHBondContact O-N 3.07Å; D539-A541 VanDerWaalsContact O-N 3.09Å; A541-I548 HydrophobicContact CB-CD1 3.5Å; A541-I548 VanDerWaalsContact CB-CD1 3.5Å; A541-I548 HydrophobicContact CB-CG1 4.16Å
542L88.4Confident92.1Very high22 Ų2224.2 Ų24.212%0.11513%0.134CC..G310 helixtrans-86.9-15.4-178.7-64.6172.2000113.4L493 K504 I506 D539 I540L493-L542 HydrophobicContact CD2-CD1 4.15Å; L493-L542 HydrophobicContact CD2-CG 4.23Å; L493-L542 HydrophobicContact CG-CD1 4.3Å; K504-L542 HydrophobicContact CB-CD2 4.19Å; I506-L542 HydrophobicContact CB-CD2 4.15Å; I506-L542 HydrophobicContact CG2-CD2 3.65Å; I506-L542 HydrophobicContact CG2-CG 4.29Å; D539-L542 PolarHBondContact O-N 3.3Å; I540-L542 PolarHBondContact O-N 3.09Å
543T83.6Confident92.1Very high36 Ų3627.1 Ų27.122%0.22115%0.148CC..THydrogen-bonded Turntrans-114.1-45.6-175.756.10000111.5I540 S673I540-T543 PolarHBondContact O-N 2.85Å; I540-T543 VanDerWaalsContact O-N 3.15Å; I540-T543 PolarHBondContact O-OG1 2.81Å; T543-S673 WeakPolarHBondContact CB-O 3.47Å; T543-S673 WeakPolarHBondContact CG2-O 3.27Å
544N81Confident91.9Very high26 Ų2631.4 Ų31.414%0.13917%0.168CC..  trans-143.585.7-176.7-160-31.1000111.1I540 D546 I547 K649I540-N544 HydrophobicContact CG1-CB 4.21Å; I540-N544 CarbonylContact O-C 3.5Å; I540-N544 WeakPolarHBondContact O-CA 3.43Å; I540-N544 PolarHBondContact O-N 3.34Å; I540-N544 VanDerWaalsContact O-O 3.08Å; N544-D546 PolarHBondContact O-N 3.28Å; N544-D546 VanDerWaalsContact O-N 3.16Å; N544-I547 HydrophobicContact CB-CD1 4.42Å; N544-I547 PolarHBondContact O-N 2.86Å; N544-K649 WeakPolarHBondContact ND2-CE 3.27Å; N544-K649 PolarHBondContact ND2-NZ 2.66Å; N544-K649 PolarHBondContact OD1-NZ 2.74Å
545S83.2Confident91.6Very high61 Ų6134 Ų3443%0.42718%0.179SC..G310 helixtrans-60.7-24.7-176.451.50000113.9I547 I548S545-I547 VanDerWaalsContact C-N 3.3Å; S545-I547 PolarHBondContact O-N 2.68Å; S545-I548 WeakPolarHBondContact O-CG2 3.41Å; S545-I548 PolarHBondContact O-N 3.39Å
546D84.7Confident91.2Very high117 Ų11739 Ų3963%0.62621%0.207SC*.G310 helixtrans-73.4-26.9-172.3-54.8-27000112N544N544-D546 PolarHBondContact O-N 3.28Å; N544-D546 VanDerWaalsContact O-N 3.16Å
547I88Confident90.6Very high1 Ų139 Ų391%0.00521%0.207CC..G310 helixtrans-87.4-12.2-178.1-52.4-177.1000111.8I540 N544 S545 N549 L550 T551 A622 F641 I644 K649I540-I547 HydrophobicContact CD1-CB 3.68Å; I540-I547 HydrophobicContact CD1-CD1 4.28Å; I540-I547 HydrophobicContact CD1-CG2 3.52Å; I540-I547 HydrophobicContact CG1-CB 4.4Å; N544-I547 HydrophobicContact CB-CD1 4.42Å; N544-I547 PolarHBondContact O-N 2.86Å; S545-I547 VanDerWaalsContact C-N 3.3Å; S545-I547 PolarHBondContact O-N 2.68Å; I547-N549 PolarHBondContact O-N 2.97Å; I547-N549 VanDerWaalsContact O-N 3.08Å; I547-L550 HydrophobicContact CG2-CB 4.26Å; I547-L550 HydrophobicContact CG2-CD1 4.34Å; I547-L550 WeakPolarHBondContact O-CA 3.3Å; I547-L550 WeakPolarHBondContact O-CB 3.28Å; I547-L550 PolarHBondContact O-N 2.84Å; I547-T551 HydrophobicContact CG2-CG2 4.28Å; I547-T551 PolarHBondContact O-N 2.94Å; I547-A622 HydrophobicContact CG2-CB 4.18Å; I547-F641 HydrophobicContact CD1-CD1 4.3Å; I547-F641 HydrophobicContact CD1-CE1 3.47Å; I547-F641 VanDerWaalsContact CD1-CE1 3.47Å; I547-F641 HydrophobicContact CD1-CZ 4.34Å; I547-I644 HydrophobicContact CG2-CD1 4.29Å; I547-K649 HydrophobicContact CD1-CD 4.04Å; I547-K649 VanDerWaalsContact CD1-NZ 3.32Å; I547-K649 VanDerWaalsContact CG1-NZ 3.3Å
548I91.8Very high89.9Confident22 Ų2241.8 Ų41.811%0.11322%0.221CC..G310 helixtrans-53.6-40.6-174.1-162.4-175.5000112.1L508 I540 A541 S545 L550 T551 Q552L508-I548 HydrophobicContact CD2-CD1 3.76Å; I540-I548 HydrophobicContact CG2-CB 4.24Å; I540-I548 HydrophobicContact CG2-CG1 4.27Å; A541-I548 HydrophobicContact CB-CD1 3.5Å; A541-I548 VanDerWaalsContact CB-CD1 3.5Å; A541-I548 HydrophobicContact CB-CG1 4.16Å; S545-I548 WeakPolarHBondContact O-CG2 3.41Å; S545-I548 PolarHBondContact O-N 3.39Å; I548-L550 PolarHBondContact O-N 2.94Å; I548-T551 PolarHBondContact O-N 2.76Å; I548-T551 PolarHBondContact O-OG1 2.95Å; I548-Q552 PolarHBondContact O-N 2.88Å
549N92.1Very high89.1Confident111 Ų11148.7 Ų48.759%0.59426%0.258SS*.G310 helixtrans-64.8-23.7-179.7-65.4-30.6000113I547I547-N549 PolarHBondContact O-N 2.97Å; I547-N549 VanDerWaalsContact O-N 3.08Å
550L95.3Very high88.5Confident40 Ų4053.4 Ų53.421%0.20928%0.283CS..G310 helixtrans-84.6-13.7175.2-58.6178.6000112.6I547 I548 I619 A622 I644I547-L550 HydrophobicContact CG2-CB 4.26Å; I547-L550 HydrophobicContact CG2-CD1 4.34Å; I547-L550 WeakPolarHBondContact O-CA 3.3Å; I547-L550 WeakPolarHBondContact O-CB 3.28Å; I547-L550 PolarHBondContact O-N 2.84Å; I548-L550 PolarHBondContact O-N 2.94Å; L550-I619 WeakPolarHBondContact O-CA 3.49Å; L550-A622 HydrophobicContact CB-CB 3.69Å; L550-I644 HydrophobicContact CD1-CD1 4.21Å
551T95.7Very high88.1Confident0 Ų055.1 Ų55.10%029%0.29CS..SBendtrans-106.510.5-179.663.50000113.2F536 I540 I547 I548 A622F536-T551 WeakPolarHBondContact CB-O 3Å; F536-T551 PolarHBondContact N-O 2.86Å; I540-T551 HydrophobicContact CD1-CG2 4.2Å; I540-T551 HydrophobicContact CG2-CG2 4.36Å; I547-T551 HydrophobicContact CG2-CG2 4.28Å; I547-T551 PolarHBondContact O-N 2.94Å; I548-T551 PolarHBondContact O-N 2.76Å; I548-T551 PolarHBondContact O-OG1 2.95Å; T551-A622 HydrophobicContact CG2-CB 3.71Å
552Q95.3Very high87.6Confident39 Ų3956.1 Ų56.118%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-122.4158.1179.676.417829.600112.6I534 W535 I548I534-Q552 CarbonylContact O-C 3.54Å; I534-Q552 WeakPolarHBondContact O-CA 3.32Å; I534-Q552 WeakPolarHBondContact O-CB 3.28Å; W535-Q552 HydrophobicContact CG-CB 4.38Å; I548-Q552 PolarHBondContact O-N 2.88Å
553E94.9Very high87.3Confident60 Ų6061.8 Ų61.828%0.2832%0.324SS..EExtended strand (participates in β ladder)trans-133.2143.4173.4-171.1-178.6-163.700109.6V533 I534 F536 H555V533-E553 WeakPolarHBondContact CA-O 3.28Å; I534-E553 PolarHBondContact N-O 3.04Å; I534-E553 PolarHBondContact O-N 2.88Å; F536-E553 HydrophobicContact CE2-CB 3.76Å; F536-E553 HydrophobicContact CZ-CB 4.42Å; E553-H555 WeakPolarHBondContact CG-NE2 3Å; E553-H555 IonicContact OE1-CE1 2.86Å; E553-H555 PolarHBondContact OE1-CE1 2.83Å; E553-H555 IonicContact OE1-NE2 2.91Å; E553-H555 PolarHBondContact OE1-NE2 2.89Å; E553-H555 IonicContact OE2-CE1 2.73Å; E553-H555 IonicContact OE2-NE2 3.17Å; E553-H555 PolarHBondContact OE2-NE2 3.06Å
554E94.1Very high87.3Confident95 Ų9565.5 Ų65.544%0.44434%0.339SS..EExtended strand (participates in β ladder)trans-119.7128.6177.1-59.5-171.8-177.500110.3K531 L532 V533K531-E554 WeakPolarHBondContact CD-OE2 3.46Å; K531-E554 IonicContact NZ-OE2 3.97Å; K531-E554 PolarHBondContact NZ-OE2 3.29Å; L532-E554 CarbonylContact O-C 3.52Å; L532-E554 WeakPolarHBondContact O-CA 3.39Å; V533-E554 HydrophobicContact CG1-CG 4.37Å; V533-E554 HydrophobicContact CG2-CG 4.14Å
555H91.5Very high87.7Confident53 Ų5364.8 Ų64.825%0.24534%0.335CS..EExtended strand (participates in β ladder)trans-116.8131.6175.8-61-88.2000110.1K531 L532 E553 I557K531-H555 CarbonylContact C-O 3.59Å; K531-H555 WeakPolarHBondContact CA-O 3.31Å; L532-H555 HydrophobicContact CB-CB 4.26Å; L532-H555 PolarHBondContact N-O 2.94Å; L532-H555 PolarHBondContact O-N 2.87Å; E553-H555 WeakPolarHBondContact CG-NE2 3Å; E553-H555 IonicContact OE1-CE1 2.86Å; E553-H555 PolarHBondContact OE1-CE1 2.83Å; E553-H555 IonicContact OE1-NE2 2.91Å; E553-H555 PolarHBondContact OE1-NE2 2.89Å; E553-H555 IonicContact OE2-CE1 2.73Å; E553-H555 IonicContact OE2-NE2 3.17Å; E553-H555 PolarHBondContact OE2-NE2 3.06Å; H555-I557 HydrophobicContact CB-CG2 4.22Å; H555-I557 PolarHBondContact O-N 3.45Å
556N88.5Confident88.1Confident110 Ų11064.3 Ų64.359%0.58833%0.326SS*.EExtended strand (participates in β ladder)trans-78112.4170.1-65.4-40.4000108.3K531K531-N556 WeakPolarHBondContact CE-OD1 3.25Å
557I85.3Confident88.6Confident2 Ų259 Ų591%0.0130%0.298CS..  trans-106.8-8-172.156.4169.9000113.5I527 D530 L532 H555 Y561 L565I527-I557 HydrophobicContact CD1-CD1 4.02Å; I527-I557 HydrophobicContact CG1-CD1 4.06Å; I527-I557 HydrophobicContact CG2-CD1 4.03Å; D530-I557 VanDerWaalsContact O-CG1 3.22Å; D530-I557 WeakPolarHBondContact O-CG1 3.3Å; L532-I557 HydrophobicContact CB-CD1 3.93Å; L532-I557 HydrophobicContact CB-CG1 4.38Å; L532-I557 HydrophobicContact CB-CG2 3.56Å; L532-I557 HydrophobicContact CD2-CG2 4.35Å; H555-I557 HydrophobicContact CB-CG2 4.22Å; H555-I557 PolarHBondContact O-N 3.45Å; I557-Y561 HydrophobicContact CB-CD2 3.75Å; I557-Y561 HydrophobicContact CB-CE2 4.28Å; I557-Y561 HydrophobicContact CG2-CD2 4.08Å; I557-Y561 HydrophobicContact CG2-CE2 4.1Å; I557-Y561 WeakPolarHBondContact O-CB 3.16Å; I557-Y561 WeakPolarHBondContact O-CD2 3.46Å; I557-Y561 PolarHBondContact O-N 3.42Å; I557-L565 HydrophobicContact CB-CD1 4.29Å; I557-L565 HydrophobicContact CD1-CD1 3.37Å; I557-L565 HydrophobicContact CG1-CD1 3.83Å
558I81.8Confident88.7Confident61 Ų6162.5 Ų62.531%0.31332%0.315SS..Hα-helixtrans-62.2-47.6-178.1-62.1165.1000111.7D530 D560 G562D530-I558 HydrophobicContact CB-CD1 3.15Å; D530-I558 HydrophobicContact CB-CG1 3.24Å; I558-D560 PolarHBondContact O-N 2.8Å; I558-G562 VanDerWaalsContact O-CA 3.22Å; I558-G562 WeakPolarHBondContact O-CA 3.48Å; I558-G562 PolarHBondContact O-N 3.18Å
559D78.9Confident88.7Confident147 Ų14762.7 Ų62.779%0.78632%0.317SS*.Hα-helixtrans-66.5-32.6-171.8-63.1-31.4000110.7
560D80.2Confident88.8Confident112 Ų11257.5 Ų57.560%0.59929%0.289SS*.Hα-helixtrans-86.3-40.4-178.8-65.1-25.8000112.9I558I558-D560 PolarHBondContact O-N 2.8Å
561Y83.3Confident88.7Confident38 Ų3857.3 Ų57.315%0.14929%0.286CS..Hα-helixtrans-121.6-14.7-166.7-50.4-70.6000114.1I557 R579 V585I557-Y561 HydrophobicContact CB-CD2 3.75Å; I557-Y561 HydrophobicContact CB-CE2 4.28Å; I557-Y561 HydrophobicContact CG2-CD2 4.08Å; I557-Y561 HydrophobicContact CG2-CE2 4.1Å; I557-Y561 WeakPolarHBondContact O-CB 3.16Å; I557-Y561 WeakPolarHBondContact O-CD2 3.46Å; I557-Y561 PolarHBondContact O-N 3.42Å; Y561-R579 PolarHBondContact O-NE 2.85Å; Y561-V585 HydrophobicContact CD1-CB 4.2Å; Y561-V585 HydrophobicContact CD1-CG2 3.45Å; Y561-V585 VanDerWaalsContact CD1-CG2 3.45Å; Y561-V585 HydrophobicContact CE1-CB 4.2Å; Y561-V585 HydrophobicContact CE1-CG2 3.77Å; Y561-V585 HydrophobicContact CG-CG2 4.33Å
562G82.2Confident88.5Confident25 Ų2562.5 Ų62.526%0.25831%0.305SS..  trans89.2-158.1179.700000114.2I558 L565I558-G562 VanDerWaalsContact O-CA 3.22Å; I558-G562 WeakPolarHBondContact O-CA 3.48Å; I558-G562 PolarHBondContact O-N 3.18Å; G562-L565 WeakPolarHBondContact O-CD1 3.4Å
563K83.1Confident88.3Confident141 Ų14162.5 Ų62.561%0.61331%0.307SS*.SBendtrans-102.2168.4-175.1-64.4-175.5178.6-178.10111.8L565 A580K563-L565 PolarHBondContact O-N 2.91Å; K563-A580 WeakPolarHBondContact O-CB 3.4Å
564Q82.4Confident88.2Confident114 Ų11466.7 Ų66.753%0.53332%0.32SS..SBendtrans5548176.3-61.9177.5-23.800113.4A580Q564-A580 HydrophobicContact CB-CB 4.19Å
565L90Very high88.2Confident12 Ų1262.1 Ų62.16%0.06330%0.299CS..  trans-80.3145.3-178.7-59.1175000111.7I527 I557 G562 K563 I577 K578 R579I527-L565 HydrophobicContact CD1-CB 3.51Å; I557-L565 HydrophobicContact CB-CD1 4.29Å; I557-L565 HydrophobicContact CD1-CD1 3.37Å; I557-L565 HydrophobicContact CG1-CD1 3.83Å; G562-L565 WeakPolarHBondContact O-CD1 3.4Å; K563-L565 PolarHBondContact O-N 2.91Å; L565-I577 HydrophobicContact CB-CG2 3.88Å; L565-I577 HydrophobicContact CD1-CG2 4.41Å; L565-I577 HydrophobicContact CD2-CG2 4.02Å; L565-I577 HydrophobicContact CG-CG2 4.31Å; L565-K578 WeakPolarHBondContact CA-O 3.38Å; L565-R579 HydrophobicContact CD2-CB 4.33Å; L565-R579 HydrophobicContact CD2-CG 3.98Å
566E91Very high88.3Confident51 Ų5160.2 Ų60.224%0.23829%0.29CS..EExtended strand (participates in β ladder)trans-124.9132.6176.3-178.6174.3-15500109.8K260 I577 K578K260-E566 IonicContact NZ-OE1 3.97Å; K260-E566 PolarHBondContact NZ-OE1 2.97Å; K260-E566 IonicContact NZ-OE2 2.92Å; E566-I577 CarbonylContact O-C 3.53Å; E566-I577 WeakPolarHBondContact O-CA 3.34Å; E566-K578 HydrophobicContact CB-CB 4.21Å; E566-K578 PolarHBondContact N-O 2.84Å; E566-K578 PolarHBondContact O-N 3.02Å
567L94.5Very high88.5Confident5 Ų555 Ų553%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-85.7122.8176.4-59.3-179.4000109.2S514 L516 A525 I527 L532 I575 I577S514-L567 WeakPolarHBondContact OG-CB 3.45Å; S514-L567 PolarHBondContact OG-N 2.78Å; L516-L567 HydrophobicContact CB-CB 4.01Å; L516-L567 HydrophobicContact CB-CD1 4.21Å; L516-L567 HydrophobicContact CD2-CB 4.17Å; A525-L567 HydrophobicContact CB-CD1 4.08Å; I527-L567 HydrophobicContact CD1-CD2 3.68Å; I527-L567 HydrophobicContact CD1-CG 3.88Å; I527-L567 HydrophobicContact CG1-CD1 4.17Å; I527-L567 HydrophobicContact CG1-CD2 3.91Å; I527-L567 HydrophobicContact CG1-CG 3.91Å; L532-L567 HydrophobicContact CD1-CD1 4.36Å; L532-L567 HydrophobicContact CD1-CD2 4.18Å; L567-I575 HydrophobicContact CD2-CG2 3.72Å; L567-I577 HydrophobicContact CD2-CD1 4.3Å; L567-I577 HydrophobicContact CD2-CG1 3.88Å
568I91.7Very high88.8Confident74 Ų7456.3 Ų56.338%0.37927%0.267SS..EExtended strand (participates in β ladder)trans-99.4-56.9-174.9-58.6165.3000111.5M576 K578 T584I568-M576 HydrophobicContact CB-CB 4.39Å; I568-M576 HydrophobicContact CB-CG 4.15Å; I568-M576 HydrophobicContact CB-SD 3.97Å; I568-M576 HydrophobicContact CD1-CG 4.03Å; I568-M576 HydrophobicContact CD1-SD 3.92Å; I568-M576 HydrophobicContact CG2-SD 3.92Å; I568-M576 PolarHBondContact N-O 3.32Å; I568-K578 HydrophobicContact CD1-CB 3.59Å; I568-K578 HydrophobicContact CD1-CG 4.28Å; I568-K578 HydrophobicContact CG1-CB 4.01Å; I568-T584 HydrophobicContact CD1-CG2 3.64Å
569N91.5Very high89.2Confident27 Ų2757 Ų5714%0.14427%0.266CS..EExtended strand (participates in β ladder)trans-138.4145.9-175.4-163.7-16.1000110.3L516 M576L516-N569 VanDerWaalsContact CD2-CA 3.44Å; N569-M576 HydrophobicContact CB-CB 4.19Å; N569-M576 PolarHBondContact O-N 2.86Å
570F94.4Very high89.4Confident1 Ų151.7 Ų51.70%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-134.8103.3173.6-172.6179.5000109.3L516 A518 E519 I523 A525 R572 R574 I575 I589L516-F570 HydrophobicContact CD2-CB 3.8Å; L516-F570 HydrophobicContact CG-CB 4.05Å; A518-F570 CarbonylContact C-O 3.59Å; A518-F570 WeakPolarHBondContact CA-O 3.27Å; A518-F570 HydrophobicContact CB-CD1 3.8Å; A518-F570 HydrophobicContact CB-CD2 4.07Å; A518-F570 HydrophobicContact CB-CE1 3.91Å; A518-F570 HydrophobicContact CB-CE2 4.17Å; A518-F570 HydrophobicContact CB-CG 3.88Å; A518-F570 HydrophobicContact CB-CZ 4.07Å; E519-F570 PolarHBondContact N-O 2.87Å; I523-F570 HydrophobicContact CB-CE1 4.27Å; I523-F570 HydrophobicContact CB-CZ 4.32Å; I523-F570 HydrophobicContact CG2-CE1 3.64Å; I523-F570 HydrophobicContact CG2-CZ 3.66Å; A525-F570 HydrophobicContact CB-CD1 3.93Å; A525-F570 HydrophobicContact CB-CE1 3.84Å; F570-R572 VanDerWaalsContact CE2-O 3.23Å; F570-R572 WeakPolarHBondContact CE2-O 3.4Å; F570-R574 WeakPolarHBondContact CA-O 3.5Å; F570-I575 HydrophobicContact CB-CG1 4.47Å; F570-I575 HydrophobicContact CD1-CD1 4.39Å; F570-I575 HydrophobicContact CD1-CG1 4.11Å; F570-I575 HydrophobicContact CD2-CD1 4.44Å; F570-I575 HydrophobicContact CD2-CG1 3.54Å; F570-I575 HydrophobicContact CE1-CD1 4.11Å; F570-I575 HydrophobicContact CE1-CG1 4.19Å; F570-I575 HydrophobicContact CE2-CD1 4.17Å; F570-I575 HydrophobicContact CE2-CG1 3.64Å; F570-I575 HydrophobicContact CG-CG1 3.8Å; F570-I575 HydrophobicContact CZ-CD1 4.01Å; F570-I575 HydrophobicContact CZ-CG1 3.98Å; F570-I589 HydrophobicContact CE2-CD1 3.55Å; F570-I589 HydrophobicContact CE2-CG1 4.43Å; F570-I589 HydrophobicContact CZ-CD1 3.4Å
571Y92.3Very high89.4Confident36 Ų3650.7 Ų50.714%0.14124%0.237CC..EExtended strand (participates in β ladder)trans-124.4114.6-179-175.1-94000109.8W308 N309 E519 T520 D573 R574W308-Y571 HydrophobicContact CZ2-CE2 4.12Å; N309-Y571 HydrophobicContact CB-CE1 4.23Å; N309-Y571 PolarHBondContact ND2-OH 3.15Å; N309-Y571 WeakPolarHBondContact OD1-CE1 3.45Å; N309-Y571 PolarHBondContact OD1-OH 2.88Å; E519-Y571 HydrophobicContact CB-CD2 4.23Å; T520-Y571 HydrophobicContact CG2-CD2 3.92Å; T520-Y571 HydrophobicContact CG2-CE2 3.59Å; Y571-D573 PolarHBondContact O-N 2.81Å; Y571-R574 PolarHBondContact N-O 2.93Å; Y571-R574 PolarHBondContact O-N 3.02Å; Y571-R574 VanDerWaalsContact O-N 3.11Å
572R91.6Very high89.4Confident110 Ų11049.7 Ų49.742%0.41524%0.238SC..THydrogen-bonded Turntrans56.2-103-176.4-58.2177.4179.2-175.1-2.8113.2T520 F570T520-R572 HydrophobicContact CG2-CG 3.85Å; T520-R572 WeakPolarHBondContact OG1-CA 3.44Å; T520-R572 WeakPolarHBondContact OG1-CG 3.23Å; T520-R572 PolarHBondContact OG1-N 3.06Å; F570-R572 VanDerWaalsContact CE2-O 3.23Å; F570-R572 WeakPolarHBondContact CE2-O 3.4Å
573D91.3Very high89.7Confident39 Ų3950.5 Ų50.521%0.20924%0.24CC..THydrogen-bonded Turntrans-106.89.1-17463.5-51.8000112.7Y571 P588 I589 I591Y571-D573 PolarHBondContact O-N 2.81Å; D573-P588 CarbonylContact O-C 3.48Å; D573-P588 WeakPolarHBondContact O-CA 3.27Å; D573-I589 HydrophobicContact CB-CG1 4.39Å; D573-I589 WeakPolarHBondContact O-CG1 3.47Å; D573-I589 PolarHBondContact O-N 3Å; D573-I591 HydrophobicContact CB-CB 4.34Å; D573-I591 HydrophobicContact CB-CG2 3.52Å; D573-I591 WeakPolarHBondContact OD2-CG2 3.49Å
574R92.7Very high89.9Confident147 Ų14747 Ų4756%0.55523%0.231SC*.EExtended strand (participates in β ladder)trans-126121.8-173.6-58.3-177.8-174.2-162.4-2.5110.8F570 Y571 Y586F570-R574 WeakPolarHBondContact CA-O 3.5Å; Y571-R574 PolarHBondContact N-O 2.93Å; Y571-R574 PolarHBondContact O-N 3.02Å; Y571-R574 VanDerWaalsContact O-N 3.11Å; R574-Y586 HydrophobicContact CB-CD1 4.32Å
575I94.6Very high90.3Very high0 Ų043.3 Ų43.30%022%0.216CC..EExtended strand (participates in β ladder)trans-106.1120.8172.7-60.1171.1000107.7A525 L532 I534 L567 F570 I577 Y586 C587 I589A525-I575 HydrophobicContact CB-CD1 3.9Å; L532-I575 HydrophobicContact CD2-CD1 4.06Å; I534-I575 HydrophobicContact CD1-CD1 3.96Å; I534-I575 HydrophobicContact CG1-CD1 4.21Å; L567-I575 HydrophobicContact CD2-CG2 3.72Å; F570-I575 HydrophobicContact CB-CG1 4.47Å; F570-I575 HydrophobicContact CD1-CD1 4.39Å; F570-I575 HydrophobicContact CD1-CG1 4.11Å; F570-I575 HydrophobicContact CD2-CD1 4.44Å; F570-I575 HydrophobicContact CD2-CG1 3.54Å; F570-I575 HydrophobicContact CE1-CD1 4.11Å; F570-I575 HydrophobicContact CE1-CG1 4.19Å; F570-I575 HydrophobicContact CE2-CD1 4.17Å; F570-I575 HydrophobicContact CE2-CG1 3.64Å; F570-I575 HydrophobicContact CG-CG1 3.8Å; F570-I575 HydrophobicContact CZ-CD1 4.01Å; F570-I575 HydrophobicContact CZ-CG1 3.98Å; I575-I577 HydrophobicContact CG2-CG1 4.07Å; I575-Y586 WeakPolarHBondContact O-CA 3.25Å; I575-C587 HydrophobicContact CB-CB 4.47Å; I575-C587 PolarHBondContact N-O 2.8Å; I575-C587 PolarHBondContact O-N 2.83Å; I575-I589 HydrophobicContact CD1-CD1 4.5Å; I575-I589 HydrophobicContact CD1-CG2 3.9Å; I575-I589 HydrophobicContact CG1-CG2 4.48Å
576M93.5Very high90.3Very high12 Ų1248 Ų486%0.05923%0.234CC..EExtended strand (participates in β ladder)trans-87.9127172.9-176.7-172.5-74.100109.7E307 I568 N569 V585 Y586E307-M576 HydrophobicContact CB-CE 3.9Å; E307-M576 WeakPolarHBondContact OE2-CE 3.35Å; I568-M576 HydrophobicContact CB-CB 4.39Å; I568-M576 HydrophobicContact CB-CG 4.15Å; I568-M576 HydrophobicContact CB-SD 3.97Å; I568-M576 HydrophobicContact CD1-CG 4.03Å; I568-M576 HydrophobicContact CD1-SD 3.92Å; I568-M576 HydrophobicContact CG2-SD 3.92Å; I568-M576 PolarHBondContact N-O 3.32Å; N569-M576 HydrophobicContact CB-CB 4.19Å; N569-M576 PolarHBondContact O-N 2.86Å; M576-V585 WeakPolarHBondContact CA-O 3.36Å; M576-Y586 HydrophobicContact CB-CD1 4.2Å; M576-Y586 HydrophobicContact CB-CE1 4.05Å; M576-Y586 HydrophobicContact CE-CE1 3.56Å; M576-Y586 HydrophobicContact CE-CE2 4.18Å; M576-Y586 WeakPolarHBondContact CE-OH 3.28Å; M576-Y586 HydrophobicContact CG-CE1 4.38Å
577I93.1Very high90.3Very high0 Ų046 Ų460%023%0.225CC..EExtended strand (participates in β ladder)trans-119.7133.6-177.7-52.2-177.4000108.7L565 E566 L567 I575 T584 V585 C587L565-I577 HydrophobicContact CB-CG2 3.88Å; L565-I577 HydrophobicContact CD1-CG2 4.41Å; L565-I577 HydrophobicContact CD2-CG2 4.02Å; L565-I577 HydrophobicContact CG-CG2 4.31Å; E566-I577 CarbonylContact O-C 3.53Å; E566-I577 WeakPolarHBondContact O-CA 3.34Å; L567-I577 HydrophobicContact CD2-CD1 4.3Å; L567-I577 HydrophobicContact CD2-CG1 3.88Å; I575-I577 HydrophobicContact CG2-CG1 4.07Å; I577-T584 WeakPolarHBondContact O-CA 3.32Å; I577-V585 HydrophobicContact CB-CG2 3.99Å; I577-V585 PolarHBondContact N-O 2.72Å; I577-V585 PolarHBondContact O-N 3.29Å; I577-C587 HydrophobicContact CD1-CB 3.79Å; I577-C587 HydrophobicContact CG1-CB 4.43Å
578K90.9Very high90.2Very high30 Ų3050.1 Ų50.113%0.1325%0.252CS..EExtended strand (participates in β ladder)trans-92.6130.9167.1-162.3177.2169.7-174.20109.4D259 L565 E566 I568D259-K578 IonicContact OD1-NZ 2.77Å; D259-K578 IonicContact OD2-NZ 3.49Å; D259-K578 PolarHBondContact OD2-NZ 3.41Å; L565-K578 WeakPolarHBondContact CA-O 3.38Å; E566-K578 HydrophobicContact CB-CB 4.21Å; E566-K578 PolarHBondContact N-O 2.84Å; E566-K578 PolarHBondContact O-N 3.02Å; I568-K578 HydrophobicContact CD1-CB 3.59Å; I568-K578 HydrophobicContact CD1-CG 4.28Å; I568-K578 HydrophobicContact CG1-CB 4.01Å
579R90.1Very high90.3Very high77 Ų7747.5 Ų47.529%0.29124%0.239SC..  trans-89.2165.1175.6-63.6176.566.5-155.410.7111Y561 L565 D581 G582 S583 V585Y561-R579 PolarHBondContact O-NE 2.85Å; L565-R579 HydrophobicContact CD2-CB 4.33Å; L565-R579 HydrophobicContact CD2-CG 3.98Å; R579-D581 VanDerWaalsContact CB-OD1 3.26Å; R579-D581 WeakPolarHBondContact CB-OD1 2.91Å; R579-D581 IonicContact NH1-OD2 3.77Å; R579-D581 PolarHBondContact O-N 3.08Å; R579-G582 WeakPolarHBondContact O-CA 3.25Å; R579-G582 PolarHBondContact O-N 3.25Å; R579-S583 WeakPolarHBondContact CD-OG 3.34Å; R579-S583 PolarHBondContact N-O 3.24Å; R579-V585 HydrophobicContact CG-CG2 4.13Å
580A82.7Confident90.4Very high35 Ų3547.7 Ų47.729%0.28924%0.242SC..THydrogen-bonded Turntrans-63-21.2179.400000114.2K563 Q564 G582K563-A580 WeakPolarHBondContact O-CB 3.4Å; Q564-A580 HydrophobicContact CB-CB 4.19Å; A580-G582 VanDerWaalsContact C-N 3.26Å
581D81.5Confident90.4Very high90 Ų9051.9 Ų51.948%0.48126%0.264SS..THydrogen-bonded Turntrans-85.20173.464.41.5000112.9R579 S583R579-D581 VanDerWaalsContact CB-OD1 3.26Å; R579-D581 WeakPolarHBondContact CB-OD1 2.91Å; R579-D581 IonicContact NH1-OD2 3.77Å; R579-D581 PolarHBondContact O-N 3.08Å; D581-S583 VanDerWaalsContact C-N 3.33Å; D581-S583 WeakPolarHBondContact OD1-CB 3.09Å; D581-S583 PolarHBondContact OD1-N 3.15Å; D581-S583 PolarHBondContact OD1-OG 3.11Å; D581-S583 PolarHBondContact OD2-OG 3.38Å
582G82.2Confident90.6Very high17 Ų1754.6 Ų54.618%0.17527%0.274CS..SBendtrans88-9.3-178.500000115.9R579 A580R579-G582 WeakPolarHBondContact O-CA 3.25Å; R579-G582 PolarHBondContact O-N 3.25Å; A580-G582 VanDerWaalsContact C-N 3.26Å
583S87.7Confident90.8Very high43 Ų4349.4 Ų49.430%0.30126%0.255SS..  trans-67.2141.6177.962.70000111.3R579 D581R579-S583 WeakPolarHBondContact CD-OG 3.34Å; R579-S583 PolarHBondContact N-O 3.24Å; D581-S583 VanDerWaalsContact C-N 3.33Å; D581-S583 WeakPolarHBondContact OD1-CB 3.09Å; D581-S583 PolarHBondContact OD1-N 3.15Å; D581-S583 PolarHBondContact OD1-OG 3.11Å; D581-S583 PolarHBondContact OD2-OG 3.38Å
584T88.5Confident91.1Very high68 Ų6847.9 Ų47.942%0.41725%0.247SC..EExtended strand (participates in β ladder)trans-100136.1175.351.50000109.7I568 I577I568-T584 HydrophobicContact CD1-CG2 3.64Å; I577-T584 WeakPolarHBondContact O-CA 3.32Å
585V90.3Very high91.2Very high36 Ų3645.2 Ų45.222%0.21824%0.239CC..EExtended strand (participates in β ladder)trans-137.2152.8-178.2-650000110Y561 M576 I577 R579Y561-V585 HydrophobicContact CD1-CB 4.2Å; Y561-V585 HydrophobicContact CD1-CG2 3.45Å; Y561-V585 VanDerWaalsContact CD1-CG2 3.45Å; Y561-V585 HydrophobicContact CE1-CB 4.2Å; Y561-V585 HydrophobicContact CE1-CG2 3.77Å; Y561-V585 HydrophobicContact CG-CG2 4.33Å; M576-V585 WeakPolarHBondContact CA-O 3.36Å; I577-V585 HydrophobicContact CB-CG2 3.99Å; I577-V585 PolarHBondContact N-O 2.72Å; I577-V585 PolarHBondContact O-N 3.29Å; R579-V585 HydrophobicContact CG-CG2 4.13Å
586Y89.8Confident91.4Very high111 Ų11145.2 Ų45.244%0.43524%0.239SC..EExtended strand (participates in β ladder)trans-105.4124.3178.1-71.9-81.9000110.6E307 R574 I575 M576E307-Y586 PolarHBondContact OE2-OH 2.8Å; R574-Y586 HydrophobicContact CB-CD1 4.32Å; I575-Y586 WeakPolarHBondContact O-CA 3.25Å; M576-Y586 HydrophobicContact CB-CD1 4.2Å; M576-Y586 HydrophobicContact CB-CE1 4.05Å; M576-Y586 HydrophobicContact CE-CE1 3.56Å; M576-Y586 HydrophobicContact CE-CE2 4.18Å; M576-Y586 WeakPolarHBondContact CE-OH 3.28Å; M576-Y586 HydrophobicContact CG-CE1 4.38Å
587C91.8Very high91.5Very high8 Ų845.3 Ų45.35%0.05424%0.24CC..EExtended strand (participates in β ladder)trans-98.9110.5169.6-178.60000108.7I575 I577I575-C587 HydrophobicContact CB-CB 4.47Å; I575-C587 PolarHBondContact N-O 2.8Å; I575-C587 PolarHBondContact O-N 2.83Å; I577-C587 HydrophobicContact CD1-CB 3.79Å; I577-C587 HydrophobicContact CG1-CB 4.43Å
588P92.7Very high91.6Very high92 Ų9247.6 Ų47.660%0.59725%0.25SC*.EExtended strand (participates in β ladder)trans-77.5146.8176.232.6-34000110.9D573D573-P588 CarbonylContact O-C 3.48Å; D573-P588 WeakPolarHBondContact O-CA 3.27Å
589I93.5Very high91.9Very high18 Ų1846.5 Ų46.59%0.09225%0.246CC..  trans-130.3175.2177.267.7164000110.2I534 F536 F570 D573 I575 I591I534-I589 HydrophobicContact CD1-CB 4.18Å; I534-I589 HydrophobicContact CD1-CD1 4.33Å; I534-I589 HydrophobicContact CD1-CG2 3.41Å; I534-I589 VanDerWaalsContact CD1-CG2 3.41Å; F536-I589 HydrophobicContact CE1-CD1 4.13Å; F570-I589 HydrophobicContact CE2-CD1 3.55Å; F570-I589 HydrophobicContact CE2-CG1 4.43Å; F570-I589 HydrophobicContact CZ-CD1 3.4Å; D573-I589 HydrophobicContact CB-CG1 4.39Å; D573-I589 WeakPolarHBondContact O-CG1 3.47Å; D573-I589 PolarHBondContact O-N 3Å; I575-I589 HydrophobicContact CD1-CD1 4.5Å; I575-I589 HydrophobicContact CD1-CG2 3.9Å; I575-I589 HydrophobicContact CG1-CG2 4.48Å; I589-I591 PolarHBondContact O-N 2.94Å
590S93.7Very high92.2Very high31 Ų3144 Ų4422%0.21724%0.238CC..  trans-58.5129.7176.5-176.20000111.7Y592 P593S590-Y592 VanDerWaalsContact C-N 3.3Å; S590-P593 WeakPolarHBondContact O-CD 3.38Å; S590-P593 WeakPolarHBondContact OG-CD 3.31Å
591I93.7Very high92.6Very high90 Ų9046.4 Ų46.446%0.46225%0.252SS..Hα-helixtrans-74.2-21.217858.9165.4000112.8D573 I589 K595D573-I591 HydrophobicContact CB-CB 4.34Å; D573-I591 HydrophobicContact CB-CG2 3.52Å; D573-I591 WeakPolarHBondContact OD2-CG2 3.49Å; I589-I591 PolarHBondContact O-N 2.94Å; I591-K595 PolarHBondContact O-N 3.29Å
592Y97.1Very high93.2Very high92 Ų9247.2 Ų47.236%0.36125%0.253SS..Hα-helixtrans-72.9-39.2-167.5-59.5-64.1000113.7S590 K595 L596 V615 L620S590-Y592 VanDerWaalsContact C-N 3.3Å; Y592-K595 WeakPolarHBondContact O-CB 3.49Å; Y592-K595 PolarHBondContact O-N 3.04Å; Y592-L596 WeakPolarHBondContact O-CB 3.48Å; Y592-L596 PolarHBondContact O-N 2.96Å; Y592-V615 HydrophobicContact CD1-CG2 3.64Å; Y592-V615 HydrophobicContact CD2-CG1 3.71Å; Y592-V615 HydrophobicContact CD2-CG2 3.99Å; Y592-V615 HydrophobicContact CE1-CG2 3.69Å; Y592-V615 HydrophobicContact CE2-CG1 3.9Å; Y592-V615 HydrophobicContact CE2-CG2 4.04Å; Y592-V615 HydrophobicContact CG-CG1 4.19Å; Y592-V615 HydrophobicContact CG-CG2 3.79Å; Y592-L620 HydrophobicContact CG-CD1 4.43Å
593P96.6Very high93.8Very high1 Ų152.2 Ų52.21%0.00628%0.276CS..Hα-helixtrans-59.8-45.4175.2-28.438.1000113I523 F536 S590 K595 L596 H597 L620I523-P593 HydrophobicContact CD1-CB 4.15Å; F536-P593 HydrophobicContact CB-CB 4.09Å; F536-P593 HydrophobicContact CD1-CB 3.28Å; F536-P593 HydrophobicContact CD1-CG 3.46Å; F536-P593 VanDerWaalsContact CD1-CG 3.46Å; F536-P593 HydrophobicContact CD2-CG 4.43Å; F536-P593 HydrophobicContact CE1-CB 3.83Å; F536-P593 HydrophobicContact CE1-CG 3.57Å; F536-P593 HydrophobicContact CE2-CG 4.5Å; F536-P593 HydrophobicContact CG-CB 3.84Å; F536-P593 HydrophobicContact CG-CG 3.9Å; F536-P593 HydrophobicContact CZ-CG 4.11Å; S590-P593 WeakPolarHBondContact O-CD 3.38Å; S590-P593 WeakPolarHBondContact OG-CD 3.31Å; P593-K595 VanDerWaalsContact C-N 3.3Å; P593-K595 PolarHBondContact O-N 3.33Å; P593-L596 WeakPolarHBondContact O-CB 3.22Å; P593-L596 PolarHBondContact O-N 3.3Å; P593-L596 VanDerWaalsContact O-N 3.17Å; P593-H597 PolarHBondContact O-CD2 3.42Å; P593-H597 PolarHBondContact O-N 2.82Å; P593-L620 HydrophobicContact CB-CD2 4.31Å; P593-L620 HydrophobicContact CG-CD2 3.79Å
594D95.9Very high94.2Very high7 Ų754 Ų544%0.03728%0.279CS..Hα-helixtrans-60.5-42.9175.3-176.182.3000110.7T520 S521 I523 L596 H597 Q598T520-D594 PolarHBondContact OG1-OD1 3.39Å; S521-D594 WeakPolarHBondContact CB-OD1 3.38Å; S521-D594 PolarHBondContact OG-OD1 3.02Å; I523-D594 HydrophobicContact CD1-CB 4.31Å; D594-L596 VanDerWaalsContact C-N 3.32Å; D594-L596 PolarHBondContact O-N 3.13Å; D594-H597 PolarHBondContact O-N 3.2Å; D594-Q598 WeakPolarHBondContact O-CG 3.14Å; D594-Q598 PolarHBondContact O-N 3.39Å; D594-Q598 PolarHBondContact OD2-NE2 2.65Å
595K96.5Very high94.7Very high91 Ų9151.6 Ų51.640%0.39626%0.262SS..Hα-helixtrans-62.2-38.6176-172.859.7178.7178.80112.8I591 Y592 P593 Q598 L599 L611I591-K595 PolarHBondContact O-N 3.29Å; Y592-K595 WeakPolarHBondContact O-CB 3.49Å; Y592-K595 PolarHBondContact O-N 3.04Å; P593-K595 VanDerWaalsContact C-N 3.3Å; P593-K595 PolarHBondContact O-N 3.33Å; K595-Q598 WeakPolarHBondContact O-CB 3.3Å; K595-Q598 PolarHBondContact O-N 2.79Å; K595-L599 WeakPolarHBondContact O-CG 3.18Å; K595-L599 PolarHBondContact O-N 3.18Å; K595-L611 HydrophobicContact CB-CD1 4.13Å; K595-L611 HydrophobicContact CG-CD1 3.69Å
596L97.6Very high95Very high0 Ų055.9 Ų55.90%028%0.283CS..Hα-helixtrans-61.3-48.4176.418063.3000110.9Y592 P593 D594 Q598 L599 I600 A608 L611 L620 C623 L624Y592-L596 WeakPolarHBondContact O-CB 3.48Å; Y592-L596 PolarHBondContact O-N 2.96Å; P593-L596 WeakPolarHBondContact O-CB 3.22Å; P593-L596 PolarHBondContact O-N 3.3Å; P593-L596 VanDerWaalsContact O-N 3.17Å; D594-L596 VanDerWaalsContact C-N 3.32Å; D594-L596 PolarHBondContact O-N 3.13Å; L596-Q598 VanDerWaalsContact C-N 3.31Å; L596-Q598 PolarHBondContact O-N 2.86Å; L596-L599 PolarHBondContact O-N 2.91Å; L596-I600 HydrophobicContact CD1-CD1 3.85Å; L596-I600 HydrophobicContact CD1-CG1 4.48Å; L596-I600 HydrophobicContact CG-CD1 3.85Å; L596-I600 WeakPolarHBondContact O-CG1 3.23Å; L596-I600 PolarHBondContact O-N 2.86Å; L596-A608 HydrophobicContact CD1-CB 3.63Å; L596-L611 HydrophobicContact CB-CD2 4.46Å; L596-L620 HydrophobicContact CD2-CD2 4.15Å; L596-C623 HydrophobicContact CD2-CB 3.91Å; L596-L624 HydrophobicContact CD1-CD1 4.3Å; L596-L624 HydrophobicContact CD2-CB 4.4Å
597H96.1Very high95.3Very high15 Ų1554.9 Ų54.97%0.06928%0.283CS..Hα-helixtrans-56.9-43.4173.7-81.8-82.2000112.1F536 P593 D594 L599 I600 S601F536-H597 PolarHBondContact O-NE2 3.03Å; P593-H597 PolarHBondContact O-CD2 3.42Å; P593-H597 PolarHBondContact O-N 2.82Å; D594-H597 PolarHBondContact O-N 3.2Å; H597-L599 PolarHBondContact O-N 2.8Å; H597-I600 PolarHBondContact O-N 2.84Å; H597-S601 WeakPolarHBondContact O-CB 3.41Å; H597-S601 PolarHBondContact O-N 2.81Å; H597-S601 PolarHBondContact O-OG 3.42Å
598Q95Very high95.6Very high47 Ų4754.5 Ų54.522%0.2228%0.28CS..Hα-helixtrans-61.3-45.3177-69.6176.91500112.1D594 K595 L596 I600 S601 Q602D594-Q598 WeakPolarHBondContact O-CG 3.14Å; D594-Q598 PolarHBondContact O-N 3.39Å; D594-Q598 PolarHBondContact OD2-NE2 2.65Å; K595-Q598 WeakPolarHBondContact O-CB 3.3Å; K595-Q598 PolarHBondContact O-N 2.79Å; L596-Q598 VanDerWaalsContact C-N 3.31Å; L596-Q598 PolarHBondContact O-N 2.86Å; Q598-I600 VanDerWaalsContact C-N 3.34Å; Q598-I600 PolarHBondContact O-N 2.94Å; Q598-S601 PolarHBondContact O-N 3.16Å; Q598-S601 PolarHBondContact O-OG 2.9Å; Q598-Q602 WeakPolarHBondContact O-CG 3.31Å; Q598-Q602 PolarHBondContact O-N 3.2Å
599L97.1Very high95.8Very high8 Ų850.6 Ų50.64%0.04225%0.254CS..Hα-helixtrans-63.3-41178.8-70.6173.1000111.7K595 L596 H597 Q602 N603 K604 E607 A608 L611K595-L599 WeakPolarHBondContact O-CG 3.18Å; K595-L599 PolarHBondContact O-N 3.18Å; L596-L599 PolarHBondContact O-N 2.91Å; H597-L599 PolarHBondContact O-N 2.8Å; L599-Q602 CarbonylContact O-C 3.55Å; L599-Q602 PolarHBondContact O-N 2.61Å; L599-N603 PolarHBondContact O-N 3.36Å; L599-K604 HydrophobicContact CB-CB 4.45Å; L599-K604 HydrophobicContact CD2-CB 4.3Å; L599-K604 HydrophobicContact CD2-CD 4.09Å; L599-K604 WeakPolarHBondContact O-CB 3.3Å; L599-K604 PolarHBondContact O-N 2.98Å; L599-E607 HydrophobicContact CD1-CB 4.18Å; L599-E607 HydrophobicContact CD2-CB 4.05Å; L599-E607 WeakPolarHBondContact CD2-OE2 3.44Å; L599-A608 HydrophobicContact CB-CB 4.35Å; L599-L611 HydrophobicContact CD1-CB 4.46Å; L599-L611 HydrophobicContact CD1-CD1 4.09Å
600I95.4Very high96Very high24 Ų2456.1 Ų56.112%0.12328%0.277CS..Hα-helixtrans-68.8-41.5179.9-69.1165.2000111.1L596 H597 Q598 Q602 N603 W605 A608 L624 L627L596-I600 HydrophobicContact CD1-CD1 3.85Å; L596-I600 HydrophobicContact CD1-CG1 4.48Å; L596-I600 HydrophobicContact CG-CD1 3.85Å; L596-I600 WeakPolarHBondContact O-CG1 3.23Å; L596-I600 PolarHBondContact O-N 2.86Å; H597-I600 PolarHBondContact O-N 2.84Å; Q598-I600 VanDerWaalsContact C-N 3.34Å; Q598-I600 PolarHBondContact O-N 2.94Å; I600-Q602 PolarHBondContact O-N 2.78Å; I600-Q602 VanDerWaalsContact O-N 3.17Å; I600-N603 WeakPolarHBondContact O-CA 3.47Å; I600-N603 PolarHBondContact O-N 2.88Å; I600-W605 HydrophobicContact CD1-CZ3 4.22Å; I600-W605 HydrophobicContact CG1-CE3 4.32Å; I600-W605 HydrophobicContact CG1-CH2 4.32Å; I600-W605 HydrophobicContact CG1-CZ3 4.08Å; I600-W605 HydrophobicContact CG2-CH2 3.69Å; I600-W605 HydrophobicContact CG2-CZ2 3.82Å; I600-W605 HydrophobicContact CG2-CZ3 4.3Å; I600-A608 HydrophobicContact CG1-CB 4.29Å; I600-L624 HydrophobicContact CD1-CD1 4.05Å; I600-L627 HydrophobicContact CD1-CB 3.85Å; I600-L627 HydrophobicContact CD1-CD1 3.35Å; I600-L627 HydrophobicContact CD1-CG 4.17Å
601S91.8Very high96.2Very high85 Ų8555.7 Ų55.759%0.59427%0.272SS*.Hα-helixtrans-61.9-23.8174.571.20000113.2H597 Q598H597-S601 WeakPolarHBondContact O-CB 3.41Å; H597-S601 PolarHBondContact O-N 2.81Å; H597-S601 PolarHBondContact O-OG 3.42Å; Q598-S601 PolarHBondContact O-N 3.16Å; Q598-S601 PolarHBondContact O-OG 2.9Å
602Q94.3Very high96.4Very high108 Ų10851.4 Ų51.451%0.50525%0.25SS..THydrogen-bonded Turntrans-90.76.1173.2-65.2174.99.900113.5Q598 L599 I600 K604Q598-Q602 WeakPolarHBondContact O-CG 3.31Å; Q598-Q602 PolarHBondContact O-N 3.2Å; L599-Q602 CarbonylContact O-C 3.55Å; L599-Q602 PolarHBondContact O-N 2.61Å; I600-Q602 PolarHBondContact O-N 2.78Å; I600-Q602 VanDerWaalsContact O-N 3.17Å; Q602-K604 HydrophobicContact CB-CD 4.13Å; Q602-K604 HydrophobicContact CB-CG 4.02Å; Q602-K604 PolarHBondContact O-N 3.14Å
603N94.5Very high96.3Very high121 Ų12152.5 Ų52.565%0.64725%0.254SS*.THydrogen-bonded Turntrans59.727.5-176.7-155.826000114.3L599 I600 W605L599-N603 PolarHBondContact O-N 3.36Å; I600-N603 WeakPolarHBondContact O-CA 3.47Å; I600-N603 PolarHBondContact O-N 2.88Å; N603-W605 PolarHBondContact O-N 2.79Å; N603-W605 PolarHBondContact OD1-NE1 2.82Å
604K97.3Very high96.3Very high82 Ų8257.6 Ų57.636%0.35729%0.285SS..  trans-95.358.9-177.4-64.7-178.7169.2-169.40112.8L599 Q602 N606 E607 A608L599-K604 HydrophobicContact CB-CB 4.45Å; L599-K604 HydrophobicContact CD2-CB 4.3Å; L599-K604 HydrophobicContact CD2-CD 4.09Å; L599-K604 WeakPolarHBondContact O-CB 3.3Å; L599-K604 PolarHBondContact O-N 2.98Å; Q602-K604 HydrophobicContact CB-CD 4.13Å; Q602-K604 HydrophobicContact CB-CG 4.02Å; Q602-K604 PolarHBondContact O-N 3.14Å; K604-N606 VanDerWaalsContact C-N 3.32Å; K604-N606 PolarHBondContact O-N 3.13Å; K604-E607 HydrophobicContact CB-CB 4.24Å; K604-E607 HydrophobicContact CB-CG 4.5Å; K604-E607 WeakPolarHBondContact CD-OE2 3.09Å; K604-E607 IonicContact NZ-OE1 2.85Å; K604-E607 IonicContact NZ-OE2 3.15Å; K604-E607 PolarHBondContact O-N 3.11Å; K604-E607 VanDerWaalsContact O-N 3.12Å; K604-A608 PolarHBondContact O-N 3.5Å
605W97.5Very high96.3Very high17 Ų1758.7 Ų58.76%0.06429%0.292CS..Hα-helixtrans-59.1-36.8-175.6-64.494.6000114.7I600 N603 E607 A608 L609 L624 A628 A631 M633 V636I600-W605 HydrophobicContact CD1-CZ3 4.22Å; I600-W605 HydrophobicContact CG1-CE3 4.32Å; I600-W605 HydrophobicContact CG1-CH2 4.32Å; I600-W605 HydrophobicContact CG1-CZ3 4.08Å; I600-W605 HydrophobicContact CG2-CH2 3.69Å; I600-W605 HydrophobicContact CG2-CZ2 3.82Å; I600-W605 HydrophobicContact CG2-CZ3 4.3Å; N603-W605 PolarHBondContact O-N 2.79Å; N603-W605 PolarHBondContact OD1-NE1 2.82Å; W605-E607 VanDerWaalsContact C-N 3.34Å; W605-E607 PolarHBondContact O-N 3.01Å; W605-A608 WeakPolarHBondContact O-CB 3.35Å; W605-A608 PolarHBondContact O-N 3Å; W605-L609 PolarHBondContact O-N 2.82Å; W605-L624 HydrophobicContact CE3-CD1 4.09Å; W605-L624 HydrophobicContact CZ3-CD1 3.99Å; W605-A628 HydrophobicContact CH2-CB 4.31Å; W605-A628 HydrophobicContact CZ3-CB 3.76Å; W605-A631 HydrophobicContact CH2-CB 3.53Å; W605-A631 HydrophobicContact CZ2-CB 3.33Å; W605-M633 HydrophobicContact CB-CE 4.45Å; W605-M633 HydrophobicContact CD2-CE 4.41Å; W605-M633 HydrophobicContact CD2-CG 4.13Å; W605-M633 HydrophobicContact CG-CE 3.97Å; W605-M633 HydrophobicContact CH2-CG 4.37Å; W605-M633 HydrophobicContact CZ2-CG 3.88Å; W605-V636 HydrophobicContact CB-CG2 4.18Å; W605-V636 HydrophobicContact CE3-CB 4.42Å; W605-V636 HydrophobicContact CE3-CG1 4Å; W605-V636 HydrophobicContact CE3-CG2 4.32Å; W605-V636 HydrophobicContact CZ3-CG1 4.46Å
606N96.4Very high96.2Very high125 Ų12562.3 Ų62.367%0.66831%0.308SS*.Hα-helixtrans-67.4-34.3177.9-69.5-30.2000112.6K604 K610K604-N606 VanDerWaalsContact C-N 3.32Å; K604-N606 PolarHBondContact O-N 3.13Å; N606-K610 VanDerWaalsContact O-CG 3.3Å; N606-K610 WeakPolarHBondContact O-CG 3.44Å; N606-K610 PolarHBondContact O-N 3.24Å; N606-K610 VanDerWaalsContact O-N 3.14Å
607E97.7Very high96.1Very high91 Ų9165.9 Ų65.943%0.42533%0.325SS..Hα-helixtrans-73-36.4173.9-68.7179.6-154.500110.9L599 K604 W605 K610 L611L599-E607 HydrophobicContact CD1-CB 4.18Å; L599-E607 HydrophobicContact CD2-CB 4.05Å; L599-E607 WeakPolarHBondContact CD2-OE2 3.44Å; K604-E607 HydrophobicContact CB-CB 4.24Å; K604-E607 HydrophobicContact CB-CG 4.5Å; K604-E607 WeakPolarHBondContact CD-OE2 3.09Å; K604-E607 IonicContact NZ-OE1 2.85Å; K604-E607 IonicContact NZ-OE2 3.15Å; K604-E607 PolarHBondContact O-N 3.11Å; K604-E607 VanDerWaalsContact O-N 3.12Å; W605-E607 VanDerWaalsContact C-N 3.34Å; W605-E607 PolarHBondContact O-N 3.01Å; E607-K610 PolarHBondContact O-N 2.82Å; E607-L611 WeakPolarHBondContact O-CB 3.45Å; E607-L611 PolarHBondContact O-N 2.74Å
608A97.4Very high96Very high0 Ų071.2 Ų71.20%034%0.344CS..Hα-helixtrans-61.4-4617400000111.9L596 L599 I600 K604 W605 K610 L611 C612 L624L596-A608 HydrophobicContact CD1-CB 3.63Å; L599-A608 HydrophobicContact CB-CB 4.35Å; I600-A608 HydrophobicContact CG1-CB 4.29Å; K604-A608 PolarHBondContact O-N 3.5Å; W605-A608 WeakPolarHBondContact O-CB 3.35Å; W605-A608 PolarHBondContact O-N 3Å; A608-K610 PolarHBondContact O-N 2.73Å; A608-L611 WeakPolarHBondContact O-CB 3.3Å; A608-L611 PolarHBondContact O-N 2.97Å; A608-C612 PolarHBondContact O-N 3.27Å; A608-C612 PolarHBondContact O-SG 3.38Å; A608-L624 HydrophobicContact CB-CD1 4.26Å
609L97.4Very high96.1Very high9 Ų971 Ų715%0.04734%0.344CS..Hα-helixtrans-60-45.2173.8-83.7171000112.1W605 L611 C612 W613 W621 L624 V636 I639W605-L609 PolarHBondContact O-N 2.82Å; L609-L611 VanDerWaalsContact C-N 3.3Å; L609-L611 PolarHBondContact O-N 3.17Å; L609-C612 PolarHBondContact O-N 2.79Å; L609-W613 HydrophobicContact CB-CE3 3.93Å; L609-W613 HydrophobicContact CB-CH2 3.84Å; L609-W613 HydrophobicContact CB-CZ3 3.46Å; L609-W613 VanDerWaalsContact CB-CZ3 3.46Å; L609-W613 HydrophobicContact CD1-CH2 4.03Å; L609-W613 HydrophobicContact CD1-CZ3 4.37Å; L609-W613 HydrophobicContact CD2-CH2 4Å; L609-W613 HydrophobicContact CD2-CZ2 4.19Å; L609-W613 HydrophobicContact CD2-CZ3 4.44Å; L609-W613 HydrophobicContact CG-CH2 4.2Å; L609-W613 HydrophobicContact CG-CZ3 4.32Å; L609-W613 PolarHBondContact O-N 3.33Å; L609-W621 HydrophobicContact CD2-CH2 4.17Å; L609-W621 HydrophobicContact CD2-CZ3 3.79Å; L609-L624 HydrophobicContact CD2-CD2 3.7Å; L609-L624 HydrophobicContact CG-CD2 4.2Å; L609-V636 HydrophobicContact CD1-CG1 4.32Å; L609-V636 HydrophobicContact CD1-CG2 4.11Å; L609-V636 HydrophobicContact CD2-CG1 4.1Å; L609-V636 HydrophobicContact CG-CG1 4.08Å; L609-I639 HydrophobicContact CD1-CD1 4.36Å; L609-I639 HydrophobicContact CD2-CB 4.45Å; L609-I639 HydrophobicContact CD2-CD1 4.45Å; L609-I639 HydrophobicContact CD2-CG2 4.03Å
610K97.5Very high96.1Very high134 Ų13470.6 Ų70.658%0.58334%0.342SS*.Hα-helixtrans-57-43.8173.5-74.6174.1-176-179.70111.7N606 E607 A608 W613 T614N606-K610 VanDerWaalsContact O-CG 3.3Å; N606-K610 WeakPolarHBondContact O-CG 3.44Å; N606-K610 PolarHBondContact O-N 3.24Å; N606-K610 VanDerWaalsContact O-N 3.14Å; E607-K610 PolarHBondContact O-N 2.82Å; A608-K610 PolarHBondContact O-N 2.73Å; K610-W613 PolarHBondContact O-N 3.04Å; K610-T614 WeakPolarHBondContact O-CB 3.27Å; K610-T614 VanDerWaalsContact O-CG2 3.25Å; K610-T614 WeakPolarHBondContact O-CG2 3.3Å; K610-T614 PolarHBondContact O-N 2.76Å; K610-T614 PolarHBondContact O-OG1 3.17Å; K610-T614 VanDerWaalsContact O-OG1 3.1Å
611L97.5Very high96.2Very high22 Ų2269.9 Ų69.912%0.11534%0.338CS..Hα-helixtrans-58.6-49.9176.2-179.1146000110.8K595 L596 L599 E607 A608 L609 W613 T614 V615 L620K595-L611 HydrophobicContact CB-CD1 4.13Å; K595-L611 HydrophobicContact CG-CD1 3.69Å; L596-L611 HydrophobicContact CB-CD2 4.46Å; L599-L611 HydrophobicContact CD1-CB 4.46Å; L599-L611 HydrophobicContact CD1-CD1 4.09Å; E607-L611 WeakPolarHBondContact O-CB 3.45Å; E607-L611 PolarHBondContact O-N 2.74Å; A608-L611 WeakPolarHBondContact O-CB 3.3Å; A608-L611 PolarHBondContact O-N 2.97Å; L609-L611 VanDerWaalsContact C-N 3.3Å; L609-L611 PolarHBondContact O-N 3.17Å; L611-W613 PolarHBondContact O-N 2.86Å; L611-T614 WeakPolarHBondContact CA-OG1 3.34Å; L611-T614 PolarHBondContact O-N 3.09Å; L611-T614 VanDerWaalsContact O-N 3.14Å; L611-T614 PolarHBondContact O-OG1 2.77Å; L611-V615 HydrophobicContact CG-CG2 4.45Å; L611-V615 WeakPolarHBondContact O-CG2 3.38Å; L611-V615 PolarHBondContact O-N 3.39Å; L611-L620 HydrophobicContact CD2-CD1 3.93Å; L611-L620 HydrophobicContact CD2-CD2 4.44Å
612C97.5Very high96.4Very high0 Ų065.8 Ų65.80%031%0.309CS..Hα-helixtrans-59.8-43.3177.3-66.60000112.6A608 L609 T614 K616 W621 L624A608-C612 PolarHBondContact O-N 3.27Å; A608-C612 PolarHBondContact O-SG 3.38Å; L609-C612 PolarHBondContact O-N 2.79Å; C612-T614 VanDerWaalsContact C-N 3.32Å; C612-T614 PolarHBondContact O-N 2.62Å; C612-K616 WeakPolarHBondContact O-CA 3.31Å; C612-K616 PolarHBondContact O-N 3.01Å; C612-W621 HydrophobicContact CB-CD2 3.75Å; C612-W621 HydrophobicContact CB-CE3 3.82Å; C612-W621 HydrophobicContact CB-CH2 3.63Å; C612-W621 HydrophobicContact CB-CZ2 3.55Å; C612-W621 HydrophobicContact CB-CZ3 3.78Å; C612-L624 HydrophobicContact CB-CD2 4.41Å
613W95.9Very high96.5Very high116 Ų11660.7 Ų60.744%0.43929%0.286SS..Hα-helixtrans-65.8-31175-76.6-51.8000113.9L609 K610 L611 K616 W621 I639L609-W613 HydrophobicContact CB-CE3 3.93Å; L609-W613 HydrophobicContact CB-CH2 3.84Å; L609-W613 HydrophobicContact CB-CZ3 3.46Å; L609-W613 VanDerWaalsContact CB-CZ3 3.46Å; L609-W613 HydrophobicContact CD1-CH2 4.03Å; L609-W613 HydrophobicContact CD1-CZ3 4.37Å; L609-W613 HydrophobicContact CD2-CH2 4Å; L609-W613 HydrophobicContact CD2-CZ2 4.19Å; L609-W613 HydrophobicContact CD2-CZ3 4.44Å; L609-W613 HydrophobicContact CG-CH2 4.2Å; L609-W613 HydrophobicContact CG-CZ3 4.32Å; L609-W613 PolarHBondContact O-N 3.33Å; K610-W613 PolarHBondContact O-N 3.04Å; L611-W613 PolarHBondContact O-N 2.86Å; W613-K616 WeakPolarHBondContact O-CE 3.3Å; W613-K616 WeakPolarHBondContact O-CG 3.45Å; W613-W621 AromaticContact CD1-CH2 3.64Å; W613-W621 AromaticContact CD1-CZ2 3.45Å; W613-W621 VanDerWaalsContact CD1-CZ2 3.45Å; W613-W621 HydrophobicContact CD2-CH2 4.1Å; W613-W621 AromaticContact CE2-CH2 3.76Å; W613-W621 AromaticContact CG-CH2 3.99Å; W613-W621 HydrophobicContact CG-CH2 3.99Å; W613-W621 AromaticContact CG-CZ2 3.95Å; W613-W621 HydrophobicContact CG-CZ2 3.95Å; W613-W621 HydrophobicContact CZ2-CH2 4.41Å; W613-W621 AromaticContact NE1-CH2 3.45Å; W613-W621 AromaticContact NE1-CZ2 3.71Å; W613-I639 HydrophobicContact CZ2-CG2 4Å
614T96.8Very high96.6Very high107 Ų10755 Ų5566%0.65626%0.255SS*.Hα-helixtrans-77.3-44.4178.853.40000112.6K610 L611 C612K610-T614 WeakPolarHBondContact O-CB 3.27Å; K610-T614 VanDerWaalsContact O-CG2 3.25Å; K610-T614 WeakPolarHBondContact O-CG2 3.3Å; K610-T614 PolarHBondContact O-N 2.76Å; K610-T614 PolarHBondContact O-OG1 3.17Å; K610-T614 VanDerWaalsContact O-OG1 3.1Å; L611-T614 WeakPolarHBondContact CA-OG1 3.34Å; L611-T614 PolarHBondContact O-N 3.09Å; L611-T614 VanDerWaalsContact O-N 3.14Å; L611-T614 PolarHBondContact O-OG1 2.77Å; C612-T614 VanDerWaalsContact C-N 3.32Å; C612-T614 PolarHBondContact O-N 2.62Å
615V95.9Very high96.5Very high31 Ų3151 Ų5119%0.18824%0.238CC..Hα-helixtrans-81.2-35.1-176.1-178.90000111.2Y592 L611 E617 L620Y592-V615 HydrophobicContact CD1-CG2 3.64Å; Y592-V615 HydrophobicContact CD2-CG1 3.71Å; Y592-V615 HydrophobicContact CD2-CG2 3.99Å; Y592-V615 HydrophobicContact CE1-CG2 3.69Å; Y592-V615 HydrophobicContact CE2-CG1 3.9Å; Y592-V615 HydrophobicContact CE2-CG2 4.04Å; Y592-V615 HydrophobicContact CG-CG1 4.19Å; Y592-V615 HydrophobicContact CG-CG2 3.79Å; L611-V615 HydrophobicContact CG-CG2 4.45Å; L611-V615 WeakPolarHBondContact O-CG2 3.38Å; L611-V615 PolarHBondContact O-N 3.39Å; V615-E617 HydrophobicContact CG1-CB 4.11Å; V615-E617 HydrophobicContact CG1-CG 3.76Å; V615-E617 PolarHBondContact O-N 3.41Å; V615-L620 HydrophobicContact CB-CD1 3.66Å; V615-L620 HydrophobicContact CG1-CD1 3.54Å; V615-L620 HydrophobicContact CG2-CD1 4.13Å
616K93.7Very high96.2Very high167 Ų16750.5 Ų50.573%0.72624%0.237SC*.  trans58.131.7177.5-54.6-178178.2-179.70114.4C612 W613C612-K616 WeakPolarHBondContact O-CA 3.31Å; C612-K616 PolarHBondContact O-N 3.01Å; W613-K616 WeakPolarHBondContact O-CE 3.3Å; W613-K616 WeakPolarHBondContact O-CG 3.45Å
617E95Very high96.1Very high75 Ų7545.3 Ų45.335%0.3521%0.21SC..  trans-90.5132173.1-79.7173.4-170.500111.1V615 I619 L620 W621V615-E617 HydrophobicContact CG1-CB 4.11Å; V615-E617 HydrophobicContact CG1-CG 3.76Å; V615-E617 PolarHBondContact O-N 3.41Å; E617-I619 VanDerWaalsContact C-N 3.25Å; E617-I619 PolarHBondContact O-N 2.71Å; E617-L620 HydrophobicContact CB-CD1 4.12Å; E617-L620 HydrophobicContact CB-CG 4.18Å; E617-L620 PolarHBondContact O-N 3.17Å; E617-W621 PolarHBondContact O-N 2.93Å
618R95.4Very high95.9Very high127 Ų12741 Ų4148%0.47919%0.189SC..Hα-helixtrans-59.6-35.6179.2-166176.9-172.5174.16.7112.6L620 W621 A622 I644R618-L620 VanDerWaalsContact C-N 3.33Å; R618-L620 PolarHBondContact O-N 3.43Å; R618-W621 PolarHBondContact O-N 2.71Å; R618-A622 PolarHBondContact O-N 2.85Å; R618-I644 HydrophobicContact CG-CG2 4.12Å; R618-I644 PolarHBondContact NH2-O 2.78Å
619I96.2Very high95.6Very high41 Ų4141.6 Ų41.621%0.2119%0.193CC..Hα-helixtrans-60.5-42.3178.4-64.7174000111.4F536 L550 E617 A622 C623F536-I619 HydrophobicContact CB-CG2 4.39Å; F536-I619 HydrophobicContact CD2-CG2 3.44Å; F536-I619 VanDerWaalsContact CD2-CG2 3.44Å; F536-I619 HydrophobicContact CE2-CD1 4.36Å; F536-I619 HydrophobicContact CE2-CG2 4Å; F536-I619 HydrophobicContact CG-CG2 4.17Å; L550-I619 WeakPolarHBondContact O-CA 3.49Å; E617-I619 VanDerWaalsContact C-N 3.25Å; E617-I619 PolarHBondContact O-N 2.71Å; I619-A622 PolarHBondContact O-N 2.75Å; I619-C623 WeakPolarHBondContact O-CB 3.33Å; I619-C623 PolarHBondContact O-N 2.81Å; I619-C623 PolarHBondContact O-SG 2.84Å
620L97.2Very high95.2Very high0 Ų043.6 Ų43.60%020%0.204CC..Hα-helixtrans-66.4-41.2178.8-66.9174.9000111.6Y592 P593 L596 L611 V615 E617 R618 C623 L624Y592-L620 HydrophobicContact CG-CD1 4.43Å; P593-L620 HydrophobicContact CB-CD2 4.31Å; P593-L620 HydrophobicContact CG-CD2 3.79Å; L596-L620 HydrophobicContact CD2-CD2 4.15Å; L611-L620 HydrophobicContact CD2-CD1 3.93Å; L611-L620 HydrophobicContact CD2-CD2 4.44Å; V615-L620 HydrophobicContact CB-CD1 3.66Å; V615-L620 HydrophobicContact CG1-CD1 3.54Å; V615-L620 HydrophobicContact CG2-CD1 4.13Å; E617-L620 HydrophobicContact CB-CD1 4.12Å; E617-L620 HydrophobicContact CB-CG 4.18Å; E617-L620 PolarHBondContact O-N 3.17Å; R618-L620 VanDerWaalsContact C-N 3.33Å; R618-L620 PolarHBondContact O-N 3.43Å; L620-C623 PolarHBondContact O-N 2.87Å; L620-L624 WeakPolarHBondContact O-CB 3.28Å; L620-L624 PolarHBondContact O-N 3.11Å
621W97.6Very high94.9Very high9 Ų939.4 Ų39.43%0.03419%0.194CC..Hα-helixtrans-63.1-42.7174.4-72.7116.3000112L609 C612 W613 E617 R618 L624 A625 I639 A640 E643 I644L609-W621 HydrophobicContact CD2-CH2 4.17Å; L609-W621 HydrophobicContact CD2-CZ3 3.79Å; C612-W621 HydrophobicContact CB-CD2 3.75Å; C612-W621 HydrophobicContact CB-CE3 3.82Å; C612-W621 HydrophobicContact CB-CH2 3.63Å; C612-W621 HydrophobicContact CB-CZ2 3.55Å; C612-W621 HydrophobicContact CB-CZ3 3.78Å; W613-W621 AromaticContact CD1-CH2 3.64Å; W613-W621 AromaticContact CD1-CZ2 3.45Å; W613-W621 VanDerWaalsContact CD1-CZ2 3.45Å; W613-W621 HydrophobicContact CD2-CH2 4.1Å; W613-W621 AromaticContact CE2-CH2 3.76Å; W613-W621 AromaticContact CG-CH2 3.99Å; W613-W621 HydrophobicContact CG-CH2 3.99Å; W613-W621 AromaticContact CG-CZ2 3.95Å; W613-W621 HydrophobicContact CG-CZ2 3.95Å; W613-W621 HydrophobicContact CZ2-CH2 4.41Å; W613-W621 AromaticContact NE1-CH2 3.45Å; W613-W621 AromaticContact NE1-CZ2 3.71Å; E617-W621 PolarHBondContact O-N 2.93Å; R618-W621 PolarHBondContact O-N 2.71Å; W621-L624 HydrophobicContact CE3-CD2 4.09Å; W621-L624 HydrophobicContact CZ3-CD2 3.96Å; W621-L624 PolarHBondContact O-N 2.82Å; W621-A625 WeakPolarHBondContact O-CB 3.36Å; W621-A625 PolarHBondContact O-N 3.33Å; W621-I639 HydrophobicContact CH2-CG2 4.25Å; W621-I639 HydrophobicContact CZ3-CG2 3.95Å; W621-A640 HydrophobicContact CE3-CB 4.07Å; W621-E643 HydrophobicContact CB-CB 4.24Å; W621-E643 HydrophobicContact CD2-CB 3.64Å; W621-E643 HydrophobicContact CD2-CG 3.84Å; W621-E643 HydrophobicContact CE3-CB 3.95Å; W621-E643 HydrophobicContact CE3-CG 3.93Å; W621-E643 HydrophobicContact CG-CB 3.79Å; W621-E643 HydrophobicContact CG-CG 4.48Å; W621-E643 HydrophobicContact CH2-CG 4.03Å; W621-E643 HydrophobicContact CZ2-CG 3.93Å; W621-E643 HydrophobicContact CZ3-CG 4.01Å; W621-I644 HydrophobicContact CB-CG2 3.57Å
622A96.1Very high94.5Very high0 Ų043.3 Ų43.30%021%0.21CC..Hα-helixtrans-63.3-43.4176.300000112.3I547 L550 T551 R618 I619 A625 G626 I644I547-A622 HydrophobicContact CG2-CB 4.18Å; L550-A622 HydrophobicContact CB-CB 3.69Å; T551-A622 HydrophobicContact CG2-CB 3.71Å; R618-A622 PolarHBondContact O-N 2.85Å; I619-A622 PolarHBondContact O-N 2.75Å; A622-A625 PolarHBondContact O-N 2.85Å; A622-G626 PolarHBondContact O-N 3.47Å; A622-G626 VanDerWaalsContact O-N 3.11Å; A622-I644 HydrophobicContact CB-CD1 4.44Å; A622-I644 HydrophobicContact CB-CG2 4.18Å
623C96.2Very high94.3Very high1 Ų146.8 Ų46.81%0.00723%0.227CC..Hα-helixtrans-62.2-44.5174.3-67.20000111.3F536 L596 I619 L620 A625 G626 L627F536-C623 VanDerWaalsContact CB-SG 3.59Å; L596-C623 HydrophobicContact CD2-CB 3.91Å; I619-C623 WeakPolarHBondContact O-CB 3.33Å; I619-C623 PolarHBondContact O-N 2.81Å; I619-C623 PolarHBondContact O-SG 2.84Å; L620-C623 PolarHBondContact O-N 2.87Å; C623-A625 VanDerWaalsContact C-N 3.34Å; C623-A625 PolarHBondContact O-N 2.76Å; C623-G626 PolarHBondContact O-N 2.96Å; C623-L627 WeakPolarHBondContact O-CB 3.09Å; C623-L627 WeakPolarHBondContact O-CD1 3.33Å; C623-L627 VanDerWaalsContact O-CG 3.24Å; C623-L627 WeakPolarHBondContact O-CG 3.44Å; C623-L627 PolarHBondContact O-N 2.95Å
624L96.8Very high94.1Very high0 Ų042.5 Ų42.50%021%0.213CC..Hα-helixtrans-62.4-40.8177.9-177.462.5000111.6L596 I600 W605 A608 L609 C612 L620 W621 L627 A628 V636 A640L596-L624 HydrophobicContact CD1-CD1 4.3Å; L596-L624 HydrophobicContact CD2-CB 4.4Å; I600-L624 HydrophobicContact CD1-CD1 4.05Å; W605-L624 HydrophobicContact CE3-CD1 4.09Å; W605-L624 HydrophobicContact CZ3-CD1 3.99Å; A608-L624 HydrophobicContact CB-CD1 4.26Å; L609-L624 HydrophobicContact CD2-CD2 3.7Å; L609-L624 HydrophobicContact CG-CD2 4.2Å; C612-L624 HydrophobicContact CB-CD2 4.41Å; L620-L624 WeakPolarHBondContact O-CB 3.28Å; L620-L624 PolarHBondContact O-N 3.11Å; W621-L624 HydrophobicContact CE3-CD2 4.09Å; W621-L624 HydrophobicContact CZ3-CD2 3.96Å; W621-L624 PolarHBondContact O-N 2.82Å; L624-L627 PolarHBondContact O-N 3.07Å; L624-A628 WeakPolarHBondContact O-CB 3.15Å; L624-A628 PolarHBondContact O-N 3.13Å; L624-V636 HydrophobicContact CD1-CG1 3.79Å; L624-V636 HydrophobicContact CD2-CG1 3.91Å; L624-V636 HydrophobicContact CG-CG1 3.83Å; L624-A640 HydrophobicContact CB-CB 4.28Å; L624-A640 HydrophobicContact CD2-CB 4.29Å; L624-A640 HydrophobicContact CG-CB 4.15Å
625A94.1Very high94Very high0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-60.5-47.517700000111.7W621 A622 C623 T629 A640 F641 I644W621-A625 WeakPolarHBondContact O-CB 3.36Å; W621-A625 PolarHBondContact O-N 3.33Å; A622-A625 PolarHBondContact O-N 2.85Å; C623-A625 VanDerWaalsContact C-N 3.34Å; C623-A625 PolarHBondContact O-N 2.76Å; A625-T629 WeakPolarHBondContact O-CB 3.36Å; A625-T629 PolarHBondContact O-N 3.43Å; A625-T629 PolarHBondContact O-OG1 2.8Å; A625-A640 HydrophobicContact CB-CB 3.67Å; A625-F641 HydrophobicContact CB-CD1 3.78Å; A625-F641 HydrophobicContact CB-CD2 4.46Å; A625-F641 HydrophobicContact CB-CE1 3.63Å; A625-F641 HydrophobicContact CB-CE2 4.39Å; A625-F641 HydrophobicContact CB-CG 4.17Å; A625-F641 HydrophobicContact CB-CZ 3.97Å; A625-I644 HydrophobicContact CB-CD1 4.4Å
626G92.2Very high94Very high5 Ų541.6 Ų41.65%0.05220%0.203CC..Hα-helixtrans-62.5-49.817600000112.8Y537 A622 C623 A628 T629 N630Y537-G626 VanDerWaalsContact CE1-C 3.49Å; A622-G626 PolarHBondContact O-N 3.47Å; A622-G626 VanDerWaalsContact O-N 3.11Å; C623-G626 PolarHBondContact O-N 2.96Å; G626-A628 PolarHBondContact O-N 3.03Å; G626-T629 PolarHBondContact O-N 2.88Å; G626-N630 PolarHBondContact O-N 2.85Å
627L93.8Very high94Very high17 Ų1733.7 Ų33.79%0.08917%0.169CC..Hα-helixtrans-63.8-42-179.4-71.3165.5000112.1Y537 I600 C623 L624 N630 A631Y537-L627 HydrophobicContact CD1-CG 4.31Å; Y537-L627 HydrophobicContact CD2-CD2 3.7Å; Y537-L627 HydrophobicContact CD2-CG 4.09Å; Y537-L627 HydrophobicContact CE1-CD2 4.39Å; Y537-L627 HydrophobicContact CE1-CG 4.28Å; Y537-L627 HydrophobicContact CE2-CD2 3.37Å; Y537-L627 HydrophobicContact CE2-CG 4.04Å; Y537-L627 HydrophobicContact CG-CD2 4.36Å; Y537-L627 HydrophobicContact CG-CG 4.25Å; I600-L627 HydrophobicContact CD1-CB 3.85Å; I600-L627 HydrophobicContact CD1-CD1 3.35Å; I600-L627 HydrophobicContact CD1-CG 4.17Å; C623-L627 WeakPolarHBondContact O-CB 3.09Å; C623-L627 WeakPolarHBondContact O-CD1 3.33Å; C623-L627 VanDerWaalsContact O-CG 3.24Å; C623-L627 WeakPolarHBondContact O-CG 3.44Å; C623-L627 PolarHBondContact O-N 2.95Å; L624-L627 PolarHBondContact O-N 3.07Å; L627-N630 PolarHBondContact O-N 3.04Å; L627-A631 VanDerWaalsContact O-CB 3.3Å; L627-A631 WeakPolarHBondContact O-CB 3.29Å; L627-A631 PolarHBondContact O-N 2.95Å
628A94.3Very high94.1Very high0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-65-39.317700000111.8W605 L624 G626 A631 K632 M633 V636 A637W605-A628 HydrophobicContact CH2-CB 4.31Å; W605-A628 HydrophobicContact CZ3-CB 3.76Å; L624-A628 WeakPolarHBondContact O-CB 3.15Å; L624-A628 PolarHBondContact O-N 3.13Å; G626-A628 PolarHBondContact O-N 3.03Å; A628-A631 CarbonylContact O-C 3.5Å; A628-A631 PolarHBondContact O-N 2.82Å; A628-K632 PolarHBondContact O-N 3.01Å; A628-M633 HydrophobicContact CB-CB 4.27Å; A628-M633 PolarHBondContact O-N 3.49Å; A628-V636 HydrophobicContact CB-CB 3.98Å; A628-V636 HydrophobicContact CB-CG1 3.92Å; A628-A637 HydrophobicContact CB-CB 3.91Å
629T90.9Very high94.1Very high13 Ų1328.6 Ų28.68%0.0815%0.152CC..Hα-helixtrans-62.8-48.9176.1-58.50000111A625 G626 A631 K632 F641 L672A625-T629 WeakPolarHBondContact O-CB 3.36Å; A625-T629 PolarHBondContact O-N 3.43Å; A625-T629 PolarHBondContact O-OG1 2.8Å; G626-T629 PolarHBondContact O-N 2.88Å; T629-A631 VanDerWaalsContact C-N 3.28Å; T629-A631 PolarHBondContact O-N 2.63Å; T629-K632 PolarHBondContact O-N 2.85Å; T629-F641 VanDerWaalsContact OG1-CE2 3.29Å; T629-F641 WeakPolarHBondContact OG1-CE2 3.48Å; T629-F641 WeakPolarHBondContact OG1-CZ 3.36Å; T629-L672 HydrophobicContact CG2-CD2 4.09Å; T629-L672 HydrophobicContact CG2-CG 3.81Å
630N88.7Confident94.1Very high51 Ų5126.7 Ų26.727%0.27314%0.142SC..Hα-helixtrans-62.2-36.9177.6-171.444000112.1G626 L627 K632G626-N630 PolarHBondContact O-N 2.85Å; L627-N630 PolarHBondContact O-N 3.04Å; N630-K632 PolarHBondContact O-N 3.07Å
631A90.5Very high94Very high46 Ų4626.8 Ų26.838%0.3814%0.142SC..THydrogen-bonded Turntrans-80.11.6175.400000114.5W605 L627 A628 T629 M633W605-A631 HydrophobicContact CH2-CB 3.53Å; W605-A631 HydrophobicContact CZ2-CB 3.33Å; L627-A631 VanDerWaalsContact O-CB 3.3Å; L627-A631 WeakPolarHBondContact O-CB 3.29Å; L627-A631 PolarHBondContact O-N 2.95Å; A628-A631 CarbonylContact O-C 3.5Å; A628-A631 PolarHBondContact O-N 2.82Å; T629-A631 VanDerWaalsContact C-N 3.28Å; T629-A631 PolarHBondContact O-N 2.63Å; A631-M633 HydrophobicContact CB-CG 4.18Å; A631-M633 PolarHBondContact O-N 2.88Å
632K89.9Confident93.9Very high104 Ų10429 Ų2945%0.45216%0.162SC..THydrogen-bonded Turntrans61.125.5-178.6-48.7-176.2179.9-179.10114.3A628 T629 N630 L634 I669A628-K632 PolarHBondContact O-N 3.01Å; T629-K632 PolarHBondContact O-N 2.85Å; N630-K632 PolarHBondContact O-N 3.07Å; K632-L634 PolarHBondContact O-N 3.12Å; K632-I669 HydrophobicContact CB-CG2 4.03Å; K632-I669 HydrophobicContact CD-CG2 4.17Å; K632-I669 HydrophobicContact CG-CG2 3.76Å
633M93Very high93.9Very high73 Ų7333.7 Ų33.736%0.3618%0.184SC..  trans-89.478.9178.5-67.5-65.5-72.700110.9W605 A628 A631 D635 V636 A637W605-M633 HydrophobicContact CB-CE 4.45Å; W605-M633 HydrophobicContact CD2-CE 4.41Å; W605-M633 HydrophobicContact CD2-CG 4.13Å; W605-M633 HydrophobicContact CG-CE 3.97Å; W605-M633 HydrophobicContact CH2-CG 4.37Å; W605-M633 HydrophobicContact CZ2-CG 3.88Å; A628-M633 HydrophobicContact CB-CB 4.27Å; A628-M633 PolarHBondContact O-N 3.49Å; A631-M633 HydrophobicContact CB-CG 4.18Å; A631-M633 PolarHBondContact O-N 2.88Å; M633-D635 PolarHBondContact O-N 3.13Å; M633-V636 HydrophobicContact CB-CB 4.34Å; M633-V636 HydrophobicContact CB-CG2 4.36Å; M633-V636 HydrophobicContact CE-CG2 4.45Å; M633-V636 PolarHBondContact O-N 2.91Å; M633-A637 WeakPolarHBondContact O-CB 3.25Å; M633-A637 PolarHBondContact O-N 3.46Å
634L91.8Very high93.9Very high25 Ų2533.6 Ų33.613%0.13118%0.184CC..Hα-helixtrans-62.3-33.8-171.9-69.2-178.1000115.1K632 E638 I653 I656 K657 I669K632-L634 PolarHBondContact O-N 3.12Å; L634-E638 WeakPolarHBondContact O-CB 3.45Å; L634-E638 PolarHBondContact O-N 3.05Å; L634-I653 HydrophobicContact CB-CG2 4.17Å; L634-I653 HydrophobicContact CD2-CG1 4.26Å; L634-I653 HydrophobicContact CD2-CG2 4.19Å; L634-I656 HydrophobicContact CD1-CB 4.42Å; L634-I656 HydrophobicContact CD1-CG2 3.61Å; L634-K657 HydrophobicContact CD1-CG 4.31Å; L634-I669 HydrophobicContact CD1-CD1 3.88Å; L634-I669 HydrophobicContact CD1-CG1 3.99Å; L634-I669 HydrophobicContact CD2-CG1 4.09Å; L634-I669 HydrophobicContact CG-CD1 4.27Å; L634-I669 HydrophobicContact CG-CG1 4.29Å
635D95.2Very high93.7Very high112 Ų11240.7 Ų40.760%0.59922%0.217SC*.Hα-helixtrans-67.5-41.6179-64-36.8000111.7M633 I639 K657M633-D635 PolarHBondContact O-N 3.13Å; D635-I639 WeakPolarHBondContact O-CG1 3.49Å; D635-I639 PolarHBondContact O-N 2.84Å; D635-K657 WeakPolarHBondContact OD1-CE 3.43Å; D635-K657 IonicContact OD1-NZ 3.85Å; D635-K657 PolarHBondContact OD1-NZ 2.84Å
636V96.1Very high93.7Very high8 Ų842.7 Ų42.75%0.04823%0.227CC..Hα-helixtrans-70.5-41.5176.6-176.80000110.4W605 L609 L624 A628 M633 I639 A640W605-V636 HydrophobicContact CB-CG2 4.18Å; W605-V636 HydrophobicContact CE3-CB 4.42Å; W605-V636 HydrophobicContact CE3-CG1 4Å; W605-V636 HydrophobicContact CE3-CG2 4.32Å; W605-V636 HydrophobicContact CZ3-CG1 4.46Å; L609-V636 HydrophobicContact CD1-CG1 4.32Å; L609-V636 HydrophobicContact CD1-CG2 4.11Å; L609-V636 HydrophobicContact CD2-CG1 4.1Å; L609-V636 HydrophobicContact CG-CG1 4.08Å; L624-V636 HydrophobicContact CD1-CG1 3.79Å; L624-V636 HydrophobicContact CD2-CG1 3.91Å; L624-V636 HydrophobicContact CG-CG1 3.83Å; A628-V636 HydrophobicContact CB-CB 3.98Å; A628-V636 HydrophobicContact CB-CG1 3.92Å; M633-V636 HydrophobicContact CB-CB 4.34Å; M633-V636 HydrophobicContact CB-CG2 4.36Å; M633-V636 HydrophobicContact CE-CG2 4.45Å; M633-V636 PolarHBondContact O-N 2.91Å; V636-I639 PolarHBondContact O-N 3.45Å; V636-A640 WeakPolarHBondContact O-CB 3.13Å; V636-A640 PolarHBondContact O-N 2.8Å
637A93.5Very high93.7Very high0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-61.5-43.5176.800000111.5A628 M633 I639 A640 F641 I653A628-A637 HydrophobicContact CB-CB 3.91Å; M633-A637 WeakPolarHBondContact O-CB 3.25Å; M633-A637 PolarHBondContact O-N 3.46Å; A637-I639 PolarHBondContact O-N 2.93Å; A637-A640 PolarHBondContact O-N 2.91Å; A637-F641 HydrophobicContact CB-CD2 4.2Å; A637-F641 HydrophobicContact CB-CE2 4.08Å; A637-F641 WeakPolarHBondContact O-CB 3.39Å; A637-F641 WeakPolarHBondContact O-CD2 3.44Å; A637-F641 WeakPolarHBondContact O-CG 3.39Å; A637-F641 PolarHBondContact O-N 2.86Å; A637-I653 HydrophobicContact CB-CD1 3.91Å
638E95.9Very high93.6Very high36 Ų3651.3 Ų51.317%0.16828%0.275CS..Hα-helixtrans-58.3-47.6177.1-169.7-177.8169.600111.5L634 A642 V650 I653 R654 K657L634-E638 WeakPolarHBondContact O-CB 3.45Å; L634-E638 PolarHBondContact O-N 3.05Å; E638-A642 VanDerWaalsContact O-CB 3.31Å; E638-A642 WeakPolarHBondContact O-CB 3.47Å; E638-A642 PolarHBondContact O-N 2.83Å; E638-V650 HydrophobicContact CG-CG1 4Å; E638-I653 HydrophobicContact CB-CG2 3.98Å; E638-I653 HydrophobicContact CG-CG2 4.4Å; E638-R654 IonicContact OE1-CZ 3.57Å; E638-R654 IonicContact OE1-NE 2.82Å; E638-R654 PolarHBondContact OE1-NE 3.09Å; E638-R654 IonicContact OE1-NH2 3.79Å; E638-R654 PolarHBondContact OE1-NH2 2.95Å; E638-K657 IonicContact OE2-NZ 2.8Å; E638-K657 PolarHBondContact OE2-NZ 3.26Å
639I96.8Very high93.4Very high60 Ų6052 Ų5231%0.30828%0.278SS..Hα-helixtrans-61.3-48.9177.4-64.5166.4000109.9L609 W613 W621 D635 V636 A637 A642 E643L609-I639 HydrophobicContact CD1-CD1 4.36Å; L609-I639 HydrophobicContact CD2-CB 4.45Å; L609-I639 HydrophobicContact CD2-CD1 4.45Å; L609-I639 HydrophobicContact CD2-CG2 4.03Å; W613-I639 HydrophobicContact CZ2-CG2 4Å; W621-I639 HydrophobicContact CH2-CG2 4.25Å; W621-I639 HydrophobicContact CZ3-CG2 3.95Å; D635-I639 WeakPolarHBondContact O-CG1 3.49Å; D635-I639 PolarHBondContact O-N 2.84Å; V636-I639 PolarHBondContact O-N 3.45Å; A637-I639 PolarHBondContact O-N 2.93Å; I639-A642 WeakPolarHBondContact O-CB 3.44Å; I639-A642 PolarHBondContact O-N 2.88Å; I639-E643 HydrophobicContact CG2-CG 4.46Å; I639-E643 WeakPolarHBondContact O-CG 3.37Å; I639-E643 PolarHBondContact O-N 3.12Å
640A96Very high93.6Very high0 Ų052 Ų520%028%0.278CS..Hα-helixtrans-66.9-40.3-175.100000112.6W621 L624 A625 V636 A637 E643 I644W621-A640 HydrophobicContact CE3-CB 4.07Å; L624-A640 HydrophobicContact CB-CB 4.28Å; L624-A640 HydrophobicContact CD2-CB 4.29Å; L624-A640 HydrophobicContact CG-CB 4.15Å; A625-A640 HydrophobicContact CB-CB 3.67Å; V636-A640 WeakPolarHBondContact O-CB 3.13Å; V636-A640 PolarHBondContact O-N 2.8Å; A637-A640 PolarHBondContact O-N 2.91Å; A640-E643 PolarHBondContact O-N 3.08Å; A640-I644 WeakPolarHBondContact O-CG1 3.34Å; A640-I644 PolarHBondContact O-N 2.98Å
641F95.1Very high93.9Very high2 Ų256.1 Ų56.11%0.00930%0.296CS..Hα-helixtrans-65.3-38.2173.5-75.2-56.9000112.3I547 A625 T629 A637 E643 I644 E645 E646 K649 V650 I653I547-F641 HydrophobicContact CD1-CD1 4.3Å; I547-F641 HydrophobicContact CD1-CE1 3.47Å; I547-F641 VanDerWaalsContact CD1-CE1 3.47Å; I547-F641 HydrophobicContact CD1-CZ 4.34Å; A625-F641 HydrophobicContact CB-CD1 3.78Å; A625-F641 HydrophobicContact CB-CD2 4.46Å; A625-F641 HydrophobicContact CB-CE1 3.63Å; A625-F641 HydrophobicContact CB-CE2 4.39Å; A625-F641 HydrophobicContact CB-CG 4.17Å; A625-F641 HydrophobicContact CB-CZ 3.97Å; T629-F641 VanDerWaalsContact OG1-CE2 3.29Å; T629-F641 WeakPolarHBondContact OG1-CE2 3.48Å; T629-F641 WeakPolarHBondContact OG1-CZ 3.36Å; A637-F641 HydrophobicContact CB-CD2 4.2Å; A637-F641 HydrophobicContact CB-CE2 4.08Å; A637-F641 WeakPolarHBondContact O-CB 3.39Å; A637-F641 WeakPolarHBondContact O-CD2 3.44Å; A637-F641 WeakPolarHBondContact O-CG 3.39Å; A637-F641 PolarHBondContact O-N 2.86Å; F641-E643 VanDerWaalsContact C-N 3.34Å; F641-E643 PolarHBondContact O-N 3.05Å; F641-I644 HydrophobicContact CD1-CD1 3.99Å; F641-I644 HydrophobicContact CD1-CG1 4.4Å; F641-I644 HydrophobicContact CE1-CD1 4.5Å; F641-I644 WeakPolarHBondContact O-CG1 3.41Å; F641-I644 PolarHBondContact O-N 2.85Å; F641-E645 PolarHBondContact O-N 2.92Å; F641-E645 VanDerWaalsContact O-N 3.13Å; F641-E646 HydrophobicContact CB-CB 4.3Å; F641-E646 HydrophobicContact CD1-CB 4Å; F641-E646 HydrophobicContact CD1-CG 4.39Å; F641-E646 PolarHBondContact O-N 3Å; F641-K649 HydrophobicContact CB-CB 4.36Å; F641-K649 HydrophobicContact CD1-CB 4.01Å; F641-K649 HydrophobicContact CD1-CD 3.82Å; F641-K649 HydrophobicContact CD2-CB 4.07Å; F641-K649 HydrophobicContact CE1-CB 4.35Å; F641-K649 HydrophobicContact CE1-CD 3.58Å; F641-K649 HydrophobicContact CE2-CB 4.36Å; F641-K649 HydrophobicContact CG-CB 3.89Å; F641-K649 HydrophobicContact CZ-CD 4.08Å; F641-V650 HydrophobicContact CB-CG2 3.69Å; F641-I653 HydrophobicContact CD2-CD1 3.44Å; F641-I653 VanDerWaalsContact CD2-CD1 3.44Å; F641-I653 HydrophobicContact CE2-CD1 3.8Å
642A96Very high94Very high55 Ų5557 Ų5746%0.45529%0.29SS..Hα-helixtrans-62.2-41.8174.800000111.7E638 I639 I644 E645 V650E638-A642 VanDerWaalsContact O-CB 3.31Å; E638-A642 WeakPolarHBondContact O-CB 3.47Å; E638-A642 PolarHBondContact O-N 2.83Å; I639-A642 WeakPolarHBondContact O-CB 3.44Å; I639-A642 PolarHBondContact O-N 2.88Å; A642-I644 VanDerWaalsContact C-N 3.3Å; A642-I644 PolarHBondContact O-N 3.43Å; A642-E645 PolarHBondContact O-N 2.89Å; A642-E645 VanDerWaalsContact O-N 3.16Å; A642-V650 HydrophobicContact CB-CG2 3.99Å
643E95.6Very high94.2Very high99 Ų9952.1 Ų52.146%0.46327%0.268SS..Hα-helixtrans-68.4-25.1178.3-69-71.7158.400113.5W621 I639 A640 F641W621-E643 HydrophobicContact CB-CB 4.24Å; W621-E643 HydrophobicContact CD2-CB 3.64Å; W621-E643 HydrophobicContact CD2-CG 3.84Å; W621-E643 HydrophobicContact CE3-CB 3.95Å; W621-E643 HydrophobicContact CE3-CG 3.93Å; W621-E643 HydrophobicContact CG-CB 3.79Å; W621-E643 HydrophobicContact CG-CG 4.48Å; W621-E643 HydrophobicContact CH2-CG 4.03Å; W621-E643 HydrophobicContact CZ2-CG 3.93Å; W621-E643 HydrophobicContact CZ3-CG 4.01Å; I639-E643 HydrophobicContact CG2-CG 4.46Å; I639-E643 WeakPolarHBondContact O-CG 3.37Å; I639-E643 PolarHBondContact O-N 3.12Å; A640-E643 PolarHBondContact O-N 3.08Å; F641-E643 VanDerWaalsContact C-N 3.34Å; F641-E643 PolarHBondContact O-N 3.05Å
644I94.8Very high94.3Very high0 Ų055.9 Ų55.90%028%0.278CS..THydrogen-bonded Turntrans-94.64.4172.964.6167.1000114.2I547 L550 R618 W621 A622 A625 A640 F641 A642 E646I547-I644 HydrophobicContact CG2-CD1 4.29Å; L550-I644 HydrophobicContact CD1-CD1 4.21Å; R618-I644 HydrophobicContact CG-CG2 4.12Å; R618-I644 PolarHBondContact NH2-O 2.78Å; W621-I644 HydrophobicContact CB-CG2 3.57Å; A622-I644 HydrophobicContact CB-CD1 4.44Å; A622-I644 HydrophobicContact CB-CG2 4.18Å; A625-I644 HydrophobicContact CB-CD1 4.4Å; A640-I644 WeakPolarHBondContact O-CG1 3.34Å; A640-I644 PolarHBondContact O-N 2.98Å; F641-I644 HydrophobicContact CD1-CD1 3.99Å; F641-I644 HydrophobicContact CD1-CG1 4.4Å; F641-I644 HydrophobicContact CE1-CD1 4.5Å; F641-I644 WeakPolarHBondContact O-CG1 3.41Å; F641-I644 PolarHBondContact O-N 2.85Å; A642-I644 VanDerWaalsContact C-N 3.3Å; A642-I644 PolarHBondContact O-N 3.43Å; I644-E646 HydrophobicContact CD1-CB 4.44Å; I644-E646 HydrophobicContact CD1-CG 3.63Å; I644-E646 HydrophobicContact CG1-CB 4.24Å; I644-E646 HydrophobicContact CG1-CG 3.74Å
645E94.5Very high94.4Very high148 Ų14858.7 Ų58.769%0.69229%0.288SS*.THydrogen-bonded Turntrans68.426.3177.7-53.4177.1160.300115.1F641 A642 V647F641-E645 PolarHBondContact O-N 2.92Å; F641-E645 VanDerWaalsContact O-N 3.13Å; A642-E645 PolarHBondContact O-N 2.89Å; A642-E645 VanDerWaalsContact O-N 3.16Å; E645-V647 PolarHBondContact O-N 2.9Å; E645-V647 VanDerWaalsContact O-N 3.16Å
646E92.5Very high94.2Very high43 Ų4353.3 Ų53.320%0.20126%0.259CS..  trans-87.775.1176.2-68.1-76.6137.800110.8F641 I644 D648 K649 V650F641-E646 HydrophobicContact CB-CB 4.3Å; F641-E646 HydrophobicContact CD1-CB 4Å; F641-E646 HydrophobicContact CD1-CG 4.39Å; F641-E646 PolarHBondContact O-N 3Å; I644-E646 HydrophobicContact CD1-CB 4.44Å; I644-E646 HydrophobicContact CD1-CG 3.63Å; I644-E646 HydrophobicContact CG1-CB 4.24Å; I644-E646 HydrophobicContact CG1-CG 3.74Å; E646-D648 PolarHBondContact O-N 3.19Å; E646-K649 HydrophobicContact CB-CB 4.33Å; E646-K649 HydrophobicContact CB-CD 4.12Å; E646-K649 HydrophobicContact CG-CD 4.47Å; E646-K649 PolarHBondContact O-N 3.06Å; E646-K649 VanDerWaalsContact OE2-CE 3.3Å; E646-K649 WeakPolarHBondContact OE2-CE 3.48Å; E646-K649 IonicContact OE2-NZ 3.46Å; E646-K649 PolarHBondContact OE2-NZ 3.17Å; E646-V650 WeakPolarHBondContact O-CG2 3.23Å; E646-V650 PolarHBondContact O-N 2.56Å
647V92.6Very high94Very high104 Ų10456 Ų5663%0.6327%0.27SS*.Hα-helixtrans-63.5-38.1-171.3-178.40000113E645 K649 V650 E651E645-V647 PolarHBondContact O-N 2.9Å; E645-V647 VanDerWaalsContact O-N 3.16Å; V647-K649 VanDerWaalsContact C-N 3.34Å; V647-K649 PolarHBondContact O-N 3.04Å; V647-V650 PolarHBondContact O-N 2.84Å; V647-E651 PolarHBondContact O-N 3.25Å
648D91.8Very high94Very high98 Ų9860.2 Ų60.252%0.52430%0.299SS..Hα-helixtrans-59.2-43177.362.3-31.1000111.8E646 E651 Y652E646-D648 PolarHBondContact O-N 3.19Å; D648-E651 PolarHBondContact O-N 3.18Å; D648-Y652 WeakPolarHBondContact O-CB 3.15Å; D648-Y652 PolarHBondContact O-N 2.86Å
649K90.9Very high93.6Very high14 Ų1458.9 Ų58.96%0.06129%0.293CS..Hα-helixtrans-69.8-37.7176.9-68.4169.7-164.51580111.6N544 I547 F641 E646 V647 Y652 I653N544-K649 WeakPolarHBondContact ND2-CE 3.27Å; N544-K649 PolarHBondContact ND2-NZ 2.66Å; N544-K649 PolarHBondContact OD1-NZ 2.74Å; I547-K649 HydrophobicContact CD1-CD 4.04Å; I547-K649 VanDerWaalsContact CD1-NZ 3.32Å; I547-K649 VanDerWaalsContact CG1-NZ 3.3Å; F641-K649 HydrophobicContact CB-CB 4.36Å; F641-K649 HydrophobicContact CD1-CB 4.01Å; F641-K649 HydrophobicContact CD1-CD 3.82Å; F641-K649 HydrophobicContact CD2-CB 4.07Å; F641-K649 HydrophobicContact CE1-CB 4.35Å; F641-K649 HydrophobicContact CE1-CD 3.58Å; F641-K649 HydrophobicContact CE2-CB 4.36Å; F641-K649 HydrophobicContact CG-CB 3.89Å; F641-K649 HydrophobicContact CZ-CD 4.08Å; E646-K649 HydrophobicContact CB-CB 4.33Å; E646-K649 HydrophobicContact CB-CD 4.12Å; E646-K649 HydrophobicContact CG-CD 4.47Å; E646-K649 PolarHBondContact O-N 3.06Å; E646-K649 VanDerWaalsContact OE2-CE 3.3Å; E646-K649 WeakPolarHBondContact OE2-CE 3.48Å; E646-K649 IonicContact OE2-NZ 3.46Å; E646-K649 PolarHBondContact OE2-NZ 3.17Å; V647-K649 VanDerWaalsContact C-N 3.34Å; V647-K649 PolarHBondContact O-N 3.04Å; K649-Y652 PolarHBondContact O-N 2.91Å; K649-I653 WeakPolarHBondContact O-CB 3.1Å; K649-I653 VanDerWaalsContact O-CG1 3.22Å; K649-I653 WeakPolarHBondContact O-CG1 3.42Å; K649-I653 PolarHBondContact O-N 2.92Å
650V94Very high93Very high14 Ų1460.4 Ų60.49%0.08531%0.308CS..Hα-helixtrans-62.1-47.2173.5173.40000110.8E638 F641 A642 E646 V647 Y652 I653 R654E638-V650 HydrophobicContact CG-CG1 4Å; F641-V650 HydrophobicContact CB-CG2 3.69Å; A642-V650 HydrophobicContact CB-CG2 3.99Å; E646-V650 WeakPolarHBondContact O-CG2 3.23Å; E646-V650 PolarHBondContact O-N 2.56Å; V647-V650 PolarHBondContact O-N 2.84Å; V650-Y652 VanDerWaalsContact C-N 3.35Å; V650-I653 PolarHBondContact O-N 2.82Å; V650-R654 WeakPolarHBondContact O-CG 3.44Å; V650-R654 PolarHBondContact O-N 2.94Å
651E95.2Very high92.5Very high138 Ų13862.6 Ų62.665%0.64532%0.321SS*.Hα-helixtrans-63.2-42.4177.7-173171.6-170.400111.3V647 D648 I653 R654 Y655V647-E651 PolarHBondContact O-N 3.25Å; D648-E651 PolarHBondContact O-N 3.18Å; E651-I653 PolarHBondContact O-N 2.73Å; E651-R654 WeakPolarHBondContact O-CB 3.27Å; E651-R654 PolarHBondContact O-N 3.16Å; E651-Y655 PolarHBondContact O-N 3.43Å
652Y92.6Very high92.1Very high65 Ų6566.1 Ų66.126%0.25534%0.342SS..Hα-helixtrans-63.7-39.9175.8-169-111.1000112.2D648 K649 V650 R654 Y655 I656 E668 L671 L672D648-Y652 WeakPolarHBondContact O-CB 3.15Å; D648-Y652 PolarHBondContact O-N 2.86Å; K649-Y652 PolarHBondContact O-N 2.91Å; V650-Y652 VanDerWaalsContact C-N 3.35Å; Y652-R654 VanDerWaalsContact C-N 3.33Å; Y652-R654 PolarHBondContact O-N 2.8Å; Y652-Y655 AromaticContact CD2-CD1 3.9Å; Y652-Y655 HydrophobicContact CD2-CD1 3.9Å; Y652-Y655 AromaticContact CE2-CD1 3.83Å; Y652-Y655 HydrophobicContact CE2-CD1 3.83Å; Y652-Y655 HydrophobicContact CE2-CE1 4.03Å; Y652-Y655 WeakPolarHBondContact O-CB 3.38Å; Y652-Y655 PolarHBondContact O-N 2.86Å; Y652-I656 HydrophobicContact CD1-CD1 3.8Å; Y652-I656 HydrophobicContact CD1-CG1 4.36Å; Y652-I656 HydrophobicContact CE1-CD1 3.75Å; Y652-I656 HydrophobicContact CE1-CG1 4.28Å; Y652-I656 VanDerWaalsContact O-CG1 3.29Å; Y652-I656 WeakPolarHBondContact O-CG1 3.46Å; Y652-I656 PolarHBondContact O-N 2.83Å; Y652-E668 PolarHBondContact OH-OE2 2.92Å; Y652-L671 WeakPolarHBondContact OH-CB 3.38Å; Y652-L672 HydrophobicContact CD1-CB 4.24Å; Y652-L672 HydrophobicContact CD1-CD1 3.94Å; Y652-L672 HydrophobicContact CD1-CG 4.46Å; Y652-L672 HydrophobicContact CE1-CB 3.94Å; Y652-L672 HydrophobicContact CE1-CD1 4.36Å
653I93.4Very high91.7Very high0 Ų066.3 Ų66.30%033%0.334CS..Hα-helixtrans-62.7-40.3173.4-71.6166.8000111.4L634 A637 E638 F641 K649 V650 E651 I656 K657 L672L634-I653 HydrophobicContact CB-CG2 4.17Å; L634-I653 HydrophobicContact CD2-CG1 4.26Å; L634-I653 HydrophobicContact CD2-CG2 4.19Å; A637-I653 HydrophobicContact CB-CD1 3.91Å; E638-I653 HydrophobicContact CB-CG2 3.98Å; E638-I653 HydrophobicContact CG-CG2 4.4Å; F641-I653 HydrophobicContact CD2-CD1 3.44Å; F641-I653 VanDerWaalsContact CD2-CD1 3.44Å; F641-I653 HydrophobicContact CE2-CD1 3.8Å; K649-I653 WeakPolarHBondContact O-CB 3.1Å; K649-I653 VanDerWaalsContact O-CG1 3.22Å; K649-I653 WeakPolarHBondContact O-CG1 3.42Å; K649-I653 PolarHBondContact O-N 2.92Å; V650-I653 PolarHBondContact O-N 2.82Å; E651-I653 PolarHBondContact O-N 2.73Å; I653-I656 WeakPolarHBondContact O-CB 3.19Å; I653-I656 PolarHBondContact O-N 2.81Å; I653-K657 HydrophobicContact CG2-CD 4.38Å; I653-K657 WeakPolarHBondContact O-CG 3.48Å; I653-K657 PolarHBondContact O-N 2.83Å; I653-L672 HydrophobicContact CD1-CD2 4.08Å; I653-L672 HydrophobicContact CG1-CD2 3.62Å
654R95Very high91.3Very high152 Ų15262 Ų6257%0.57431%0.314SS*.Hα-helixtrans-64.6-40.5174.5-72.4177176.5178.32.1111.8E638 V650 E651 Y652 K657 S658E638-R654 IonicContact OE1-CZ 3.57Å; E638-R654 IonicContact OE1-NE 2.82Å; E638-R654 PolarHBondContact OE1-NE 3.09Å; E638-R654 IonicContact OE1-NH2 3.79Å; E638-R654 PolarHBondContact OE1-NH2 2.95Å; V650-R654 WeakPolarHBondContact O-CG 3.44Å; V650-R654 PolarHBondContact O-N 2.94Å; E651-R654 WeakPolarHBondContact O-CB 3.27Å; E651-R654 PolarHBondContact O-N 3.16Å; Y652-R654 VanDerWaalsContact C-N 3.33Å; Y652-R654 PolarHBondContact O-N 2.8Å; R654-K657 PolarHBondContact O-N 2.89Å; R654-S658 PolarHBondContact O-N 3.44Å
655Y94.1Very high91.1Very high84 Ų8466 Ų6633%0.32933%0.329SS..Hα-helixtrans-57.7-49.2171.3161.7-105.9000110.7E651 Y652 K657 S658 L659 E668E651-Y655 PolarHBondContact O-N 3.43Å; Y652-Y655 AromaticContact CD2-CD1 3.9Å; Y652-Y655 HydrophobicContact CD2-CD1 3.9Å; Y652-Y655 AromaticContact CE2-CD1 3.83Å; Y652-Y655 HydrophobicContact CE2-CD1 3.83Å; Y652-Y655 HydrophobicContact CE2-CE1 4.03Å; Y652-Y655 WeakPolarHBondContact O-CB 3.38Å; Y652-Y655 PolarHBondContact O-N 2.86Å; Y655-K657 VanDerWaalsContact C-N 3.33Å; Y655-K657 PolarHBondContact O-N 2.82Å; Y655-S658 WeakPolarHBondContact O-CB 3.25Å; Y655-S658 PolarHBondContact O-N 2.51Å; Y655-S658 PolarHBondContact O-OG 3.46Å; Y655-L659 HydrophobicContact CE1-CD1 4.22Å; Y655-L659 HydrophobicContact CE2-CD2 3.81Å; Y655-L659 HydrophobicContact CE2-CG 4.4Å; Y655-L659 PolarHBondContact O-N 2.92Å; Y655-E668 HydrophobicContact CE1-CG 4.28Å; Y655-E668 WeakPolarHBondContact CE1-OE1 2.99Å; Y655-E668 PolarHBondContact OH-OE1 2.92Å
656I92.6Very high90.9Very high0 Ų062.2 Ų62.20%031%0.313CS..Hα-helixtrans-54.3-49.8175.2-66.1169.5000110.5L634 Y652 I653 S658 L659 R665 E668 I669 L672L634-I656 HydrophobicContact CD1-CB 4.42Å; L634-I656 HydrophobicContact CD1-CG2 3.61Å; Y652-I656 HydrophobicContact CD1-CD1 3.8Å; Y652-I656 HydrophobicContact CD1-CG1 4.36Å; Y652-I656 HydrophobicContact CE1-CD1 3.75Å; Y652-I656 HydrophobicContact CE1-CG1 4.28Å; Y652-I656 VanDerWaalsContact O-CG1 3.29Å; Y652-I656 WeakPolarHBondContact O-CG1 3.46Å; Y652-I656 PolarHBondContact O-N 2.83Å; I653-I656 WeakPolarHBondContact O-CB 3.19Å; I653-I656 PolarHBondContact O-N 2.81Å; I656-S658 PolarHBondContact O-N 2.81Å; I656-L659 WeakPolarHBondContact O-CB 3.35Å; I656-L659 PolarHBondContact O-N 2.82Å; I656-L659 VanDerWaalsContact O-N 3.11Å; I656-R665 HydrophobicContact CG2-CB 4.18Å; I656-R665 HydrophobicContact CG2-CG 4.36Å; I656-R665 WeakPolarHBondContact O-CG 3.36Å; I656-E668 HydrophobicContact CD1-CB 4.23Å; I656-E668 HydrophobicContact CG1-CB 3.72Å; I656-I669 HydrophobicContact CD1-CG1 4.41Å; I656-I669 HydrophobicContact CG2-CD1 4.41Å; I656-I669 HydrophobicContact CG2-CG1 3.84Å; I656-L672 HydrophobicContact CD1-CB 4.38Å; I656-L672 HydrophobicContact CD1-CD2 4.21Å
657K91.9Very high90.7Very high65 Ų6560.2 Ų60.228%0.28330%0.304SS..Hα-helixtrans-60.9-29.4179.3-70.7179.3-173.7-177.50113.1L634 D635 E638 I653 R654 Y655 L659L634-K657 HydrophobicContact CD1-CG 4.31Å; D635-K657 WeakPolarHBondContact OD1-CE 3.43Å; D635-K657 IonicContact OD1-NZ 3.85Å; D635-K657 PolarHBondContact OD1-NZ 2.84Å; E638-K657 IonicContact OE2-NZ 2.8Å; E638-K657 PolarHBondContact OE2-NZ 3.26Å; I653-K657 HydrophobicContact CG2-CD 4.38Å; I653-K657 WeakPolarHBondContact O-CG 3.48Å; I653-K657 PolarHBondContact O-N 2.83Å; R654-K657 PolarHBondContact O-N 2.89Å; Y655-K657 VanDerWaalsContact C-N 3.33Å; Y655-K657 PolarHBondContact O-N 2.82Å; K657-L659 VanDerWaalsContact C-N 3.32Å
658S91.7Very high90.7Very high87 Ų8756.6 Ų56.661%0.60828%0.281SS*.Hα-helixtrans-75.3-17.9178.780.40000114R654 Y655 I656R654-S658 PolarHBondContact O-N 3.44Å; Y655-S658 WeakPolarHBondContact O-CB 3.25Å; Y655-S658 PolarHBondContact O-N 2.51Å; Y655-S658 PolarHBondContact O-OG 3.46Å; I656-S658 PolarHBondContact O-N 2.81Å
659L88.1Confident90.6Very high8 Ų852.6 Ų52.64%0.04226%0.259CS..  trans-65.7141.1-177.5-66.7169.9000111.4Y655 I656 K657 M664 R665 E668Y655-L659 HydrophobicContact CE1-CD1 4.22Å; Y655-L659 HydrophobicContact CE2-CD2 3.81Å; Y655-L659 HydrophobicContact CE2-CG 4.4Å; Y655-L659 PolarHBondContact O-N 2.92Å; I656-L659 WeakPolarHBondContact O-CB 3.35Å; I656-L659 PolarHBondContact O-N 2.82Å; I656-L659 VanDerWaalsContact O-N 3.11Å; K657-L659 VanDerWaalsContact C-N 3.32Å; L659-M664 HydrophobicContact CB-CB 4.2Å; L659-M664 HydrophobicContact CD1-CB 4.17Å; L659-M664 HydrophobicContact CD2-CE 4.19Å; L659-R665 HydrophobicContact CB-CG 3.92Å; L659-R665 PolarHBondContact O-NE 3Å; L659-R665 PolarHBondContact O-NH2 2.94Å; L659-E668 HydrophobicContact CD1-CB 4.13Å; L659-E668 HydrophobicContact CD1-CG 3.65Å
660P83.7Confident90.4Very high93 Ų9352 Ų5260%0.60426%0.257SS*.SBendtrans-74.7-39.8-169.726.4-33000113.6M664 R665P660-M664 HydrophobicContact CG-CE 3.78Å; P660-M664 HydrophobicContact CG-SD 3.69Å; P660-R665 PolarHBondContact O-NH2 2.84Å
661T86.1Confident90.1Very high45 Ų4552.6 Ų52.628%0.27626%0.259SS..SBendtrans-105.9155.3-175.390.10000113.1E663 M664 R665T661-E663 VanDerWaalsContact C-N 3.31Å; T661-E663 WeakPolarHBondContact CB-OE2 3.42Å; T661-E663 PolarHBondContact O-N 2.98Å; T661-E663 PolarHBondContact OG1-OE2 2.76Å; T661-M664 HydrophobicContact CG2-SD 3.69Å; T661-M664 VanDerWaalsContact OG1-CG 3.28Å; T661-M664 WeakPolarHBondContact OG1-CG 3.28Å; T661-M664 PolarHBondContact OG1-N 2.85Å; T661-M664 PolarHBondContact OG1-SD 2.77Å; T661-R665 WeakPolarHBondContact O-CG 3.38Å; T661-R665 PolarHBondContact O-N 3.23Å
662T86.5Confident89.7Confident76 Ų7647 Ų4747%0.46623%0.233SC..Hα-helixtrans-65.2-33.8179.831.30000112.9R665 N666T662-R665 PolarHBondContact O-N 3.49Å; T662-N666 WeakPolarHBondContact O-CB 3.27Å; T662-N666 PolarHBondContact O-N 3.34Å; T662-N666 PolarHBondContact O-ND2 2.87Å
663E87.7Confident89.2Confident60 Ų6044.2 Ų44.228%0.2822%0.223SC..Hα-helixtrans-69.5-43.2-178.1-55.364.2-130.800110.1T661 N666 A667 I682 N686T661-E663 VanDerWaalsContact C-N 3.31Å; T661-E663 WeakPolarHBondContact CB-OE2 3.42Å; T661-E663 PolarHBondContact O-N 2.98Å; T661-E663 PolarHBondContact OG1-OE2 2.76Å; E663-N666 PolarHBondContact O-N 3.36Å; E663-A667 WeakPolarHBondContact O-CB 3.34Å; E663-A667 PolarHBondContact O-N 3.32Å; E663-I682 HydrophobicContact CB-CG2 4.33Å; E663-N686 HydrophobicContact CB-CB 4.31Å; E663-N686 HydrophobicContact CG-CB 4.21Å; E663-N686 WeakPolarHBondContact CG-OD1 3.38Å
664M87.9Confident88.6Confident9 Ų945 Ų454%0.04423%0.231CC..Hα-helixtrans-62.1-45.7175-62157.787.700110.5L659 P660 T661 N666 A667 E668 L688 R691L659-M664 HydrophobicContact CB-CB 4.2Å; L659-M664 HydrophobicContact CD1-CB 4.17Å; L659-M664 HydrophobicContact CD2-CE 4.19Å; P660-M664 HydrophobicContact CG-CE 3.78Å; P660-M664 HydrophobicContact CG-SD 3.69Å; T661-M664 HydrophobicContact CG2-SD 3.69Å; T661-M664 VanDerWaalsContact OG1-CG 3.28Å; T661-M664 WeakPolarHBondContact OG1-CG 3.28Å; T661-M664 PolarHBondContact OG1-N 2.85Å; T661-M664 PolarHBondContact OG1-SD 2.77Å; M664-N666 PolarHBondContact O-N 2.84Å; M664-A667 PolarHBondContact O-N 2.84Å; M664-E668 WeakPolarHBondContact O-CG 3.46Å; M664-E668 PolarHBondContact O-N 2.87Å; M664-E668 VanDerWaalsContact O-N 3.1Å; M664-L688 HydrophobicContact CG-CD1 3.73Å; M664-R691 VanDerWaalsContact CE-NH1 3.33Å
665R90.6Very high88Confident84 Ų8439.5 Ų39.532%0.31721%0.212SC..Hα-helixtrans-59.5-47.8175.2-66.6-176.8-159.8135.68.5111.2I656 L659 P660 T661 T662 A667 E668 I669I656-R665 HydrophobicContact CG2-CB 4.18Å; I656-R665 HydrophobicContact CG2-CG 4.36Å; I656-R665 WeakPolarHBondContact O-CG 3.36Å; L659-R665 HydrophobicContact CB-CG 3.92Å; L659-R665 PolarHBondContact O-NE 3Å; L659-R665 PolarHBondContact O-NH2 2.94Å; P660-R665 PolarHBondContact O-NH2 2.84Å; T661-R665 WeakPolarHBondContact O-CG 3.38Å; T661-R665 PolarHBondContact O-N 3.23Å; T662-R665 PolarHBondContact O-N 3.49Å; R665-A667 PolarHBondContact O-N 2.77Å; R665-E668 PolarHBondContact O-N 3.28Å; R665-I669 WeakPolarHBondContact O-CB 3.25Å; R665-I669 WeakPolarHBondContact O-CD1 3.41Å; R665-I669 WeakPolarHBondContact O-CG1 3.3Å; R665-I669 PolarHBondContact O-N 3.34Å
666N89.2Confident87.4Confident67 Ų6740.7 Ų40.736%0.35822%0.217SC..Hα-helixtrans-62.4-41.5-179.1-74.7-23.8000112.4T662 E663 M664 E668 L670 I682T662-N666 WeakPolarHBondContact O-CB 3.27Å; T662-N666 PolarHBondContact O-N 3.34Å; T662-N666 PolarHBondContact O-ND2 2.87Å; E663-N666 PolarHBondContact O-N 3.36Å; M664-N666 PolarHBondContact O-N 2.84Å; N666-E668 VanDerWaalsContact C-N 3.33Å; N666-E668 PolarHBondContact O-N 2.95Å; N666-L670 VanDerWaalsContact O-CG 3.27Å; N666-L670 WeakPolarHBondContact O-CG 3.42Å; N666-L670 PolarHBondContact O-N 2.91Å; N666-I682 HydrophobicContact CB-CD1 4.14Å
667A89.1Confident87Confident1 Ų144.5 Ų44.51%0.00824%0.235CC..Hα-helixtrans-61-43.6175.300000111.6E663 M664 R665 L670 L671 A679 I682 L683E663-A667 WeakPolarHBondContact O-CB 3.34Å; E663-A667 PolarHBondContact O-N 3.32Å; M664-A667 PolarHBondContact O-N 2.84Å; R665-A667 PolarHBondContact O-N 2.77Å; A667-L670 WeakPolarHBondContact O-CB 3.29Å; A667-L670 PolarHBondContact O-N 2.77Å; A667-L671 WeakPolarHBondContact O-CG 3.34Å; A667-L671 PolarHBondContact O-N 2.84Å; A667-A679 HydrophobicContact CB-CB 4.46Å; A667-A679 VanDerWaalsContact O-CB 3.22Å; A667-A679 WeakPolarHBondContact O-CB 2.93Å; A667-I682 HydrophobicContact CB-CB 4.49Å; A667-I682 HydrophobicContact CB-CG2 4.27Å; A667-L683 HydrophobicContact CB-CD1 4.28Å; A667-L683 HydrophobicContact CB-CD2 3.67Å; A667-L683 HydrophobicContact CB-CG 3.7Å
668E91.8Very high86.7Confident29 Ų2944.4 Ų44.414%0.13624%0.235CC..Hα-helixtrans-77-29.9-177.3-60.6-93.2-158.300112.3Y652 Y655 I656 L659 M664 R665 N666 L670 L671 L672Y652-E668 PolarHBondContact OH-OE2 2.92Å; Y655-E668 HydrophobicContact CE1-CG 4.28Å; Y655-E668 WeakPolarHBondContact CE1-OE1 2.99Å; Y655-E668 PolarHBondContact OH-OE1 2.92Å; I656-E668 HydrophobicContact CD1-CB 4.23Å; I656-E668 HydrophobicContact CG1-CB 3.72Å; L659-E668 HydrophobicContact CD1-CB 4.13Å; L659-E668 HydrophobicContact CD1-CG 3.65Å; M664-E668 WeakPolarHBondContact O-CG 3.46Å; M664-E668 PolarHBondContact O-N 2.87Å; M664-E668 VanDerWaalsContact O-N 3.1Å; R665-E668 PolarHBondContact O-N 3.28Å; N666-E668 VanDerWaalsContact C-N 3.33Å; N666-E668 PolarHBondContact O-N 2.95Å; E668-L670 VanDerWaalsContact C-N 3.33Å; E668-L671 WeakPolarHBondContact O-CB 3.4Å; E668-L671 PolarHBondContact O-N 2.82Å; E668-L671 WeakPolarHBondContact OE2-CD1 3.37Å; E668-L672 PolarHBondContact O-N 2.91Å
669I89.8Confident86.5Confident13 Ų1340.2 Ų40.27%0.06721%0.206CC..Hα-helixtrans-61.8-43.4167.6-68.2164.6000110.3K632 L634 I656 R665 L671 L672 S673K632-I669 HydrophobicContact CB-CG2 4.03Å; K632-I669 HydrophobicContact CD-CG2 4.17Å; K632-I669 HydrophobicContact CG-CG2 3.76Å; L634-I669 HydrophobicContact CD1-CD1 3.88Å; L634-I669 HydrophobicContact CD1-CG1 3.99Å; L634-I669 HydrophobicContact CD2-CG1 4.09Å; L634-I669 HydrophobicContact CG-CD1 4.27Å; L634-I669 HydrophobicContact CG-CG1 4.29Å; I656-I669 HydrophobicContact CD1-CG1 4.41Å; I656-I669 HydrophobicContact CG2-CD1 4.41Å; I656-I669 HydrophobicContact CG2-CG1 3.84Å; R665-I669 WeakPolarHBondContact O-CB 3.25Å; R665-I669 WeakPolarHBondContact O-CD1 3.41Å; R665-I669 WeakPolarHBondContact O-CG1 3.3Å; R665-I669 PolarHBondContact O-N 3.34Å; I669-L671 VanDerWaalsContact C-N 3.3Å; I669-L671 PolarHBondContact O-N 2.7Å; I669-L672 WeakPolarHBondContact O-CB 3.24Å; I669-L672 PolarHBondContact O-N 2.85Å; I669-S673 PolarHBondContact O-N 2.8Å; I669-S673 PolarHBondContact O-OG 2.76Å
670L87Confident86.7Confident2 Ų240.5 Ų40.51%0.0121%0.207CC..Hα-helixtrans-63.7-39.1176.7-72.3171.8000111.1N666 A667 E668 S673 G674 E675 E678 A679 I682N666-L670 VanDerWaalsContact O-CG 3.27Å; N666-L670 WeakPolarHBondContact O-CG 3.42Å; N666-L670 PolarHBondContact O-N 2.91Å; A667-L670 WeakPolarHBondContact O-CB 3.29Å; A667-L670 PolarHBondContact O-N 2.77Å; E668-L670 VanDerWaalsContact C-N 3.33Å; L670-S673 WeakPolarHBondContact CA-OG 3.39Å; L670-S673 CarbonylContact O-C 3.58Å; L670-S673 PolarHBondContact O-N 3.37Å; L670-S673 PolarHBondContact O-OG 2.96Å; L670-G674 PolarHBondContact O-N 2.86Å; L670-G674 VanDerWaalsContact O-N 3.12Å; L670-E675 HydrophobicContact CB-CB 4.16Å; L670-E675 HydrophobicContact CD2-CB 4.11Å; L670-E675 VanDerWaalsContact CD2-OE2 3.25Å; L670-E675 WeakPolarHBondContact CD2-OE2 3.07Å; L670-E675 PolarHBondContact O-N 2.81Å; L670-E678 HydrophobicContact CD1-CB 3.78Å; L670-A679 HydrophobicContact CB-CB 3.94Å; L670-I682 HydrophobicContact CD1-CD1 3.4Å; L670-I682 HydrophobicContact CD1-CG1 4.3Å
671L87.3Confident87Confident26 Ų2638 Ų3814%0.13620%0.195CC..Hα-helixtrans-60.4-43.6172-71174.2000112.3Y652 A667 E668 I669 S673 G674 Y676 A679 L695Y652-L671 WeakPolarHBondContact OH-CB 3.38Å; A667-L671 WeakPolarHBondContact O-CG 3.34Å; A667-L671 PolarHBondContact O-N 2.84Å; E668-L671 WeakPolarHBondContact O-CB 3.4Å; E668-L671 PolarHBondContact O-N 2.82Å; E668-L671 WeakPolarHBondContact OE2-CD1 3.37Å; I669-L671 VanDerWaalsContact C-N 3.3Å; I669-L671 PolarHBondContact O-N 2.7Å; L671-S673 PolarHBondContact O-N 3.31Å; L671-G674 PolarHBondContact O-N 2.86Å; L671-Y676 HydrophobicContact CD2-CD1 3.29Å; L671-Y676 HydrophobicContact CD2-CE1 3.66Å; L671-Y676 HydrophobicContact CD2-CG 3.99Å; L671-A679 HydrophobicContact CD2-CB 3.87Å; L671-A679 HydrophobicContact CG-CB 3.74Å; L671-L695 HydrophobicContact CD1-CD1 3.9Å; L671-L695 HydrophobicContact CD1-CG 4.12Å; L671-L695 HydrophobicContact CD2-CD1 3.88Å; L671-L695 HydrophobicContact CD2-CD2 4.29Å; L671-L695 HydrophobicContact CD2-CG 3.95Å; L671-L695 HydrophobicContact CG-CD1 4.23Å
672L87.3Confident87.2Confident20 Ų2037.7 Ų37.711%0.10519%0.191CC..Hα-helixtrans-59-36174.7-175.155.1000112.3T629 Y652 I653 I656 E668 I669 G674T629-L672 HydrophobicContact CG2-CD2 4.09Å; T629-L672 HydrophobicContact CG2-CG 3.81Å; Y652-L672 HydrophobicContact CD1-CB 4.24Å; Y652-L672 HydrophobicContact CD1-CD1 3.94Å; Y652-L672 HydrophobicContact CD1-CG 4.46Å; Y652-L672 HydrophobicContact CE1-CB 3.94Å; Y652-L672 HydrophobicContact CE1-CD1 4.36Å; I653-L672 HydrophobicContact CD1-CD2 4.08Å; I653-L672 HydrophobicContact CG1-CD2 3.62Å; I656-L672 HydrophobicContact CD1-CB 4.38Å; I656-L672 HydrophobicContact CD1-CD2 4.21Å; E668-L672 PolarHBondContact O-N 2.91Å; I669-L672 WeakPolarHBondContact O-CB 3.24Å; I669-L672 PolarHBondContact O-N 2.85Å; L672-G674 VanDerWaalsContact C-N 3.27Å; L672-G674 PolarHBondContact O-N 2.83Å
673S82.9Confident87.5Confident7 Ų734.4 Ų34.45%0.04917%0.17CC..THydrogen-bonded Turntrans-81.82.2174.3670000114.4T543 I669 L670 L671T543-S673 WeakPolarHBondContact CB-O 3.47Å; T543-S673 WeakPolarHBondContact CG2-O 3.27Å; I669-S673 PolarHBondContact O-N 2.8Å; I669-S673 PolarHBondContact O-OG 2.76Å; L670-S673 WeakPolarHBondContact CA-OG 3.39Å; L670-S673 CarbonylContact O-C 3.58Å; L670-S673 PolarHBondContact O-N 3.37Å; L670-S673 PolarHBondContact O-OG 2.96Å; L671-S673 PolarHBondContact O-N 3.31Å
674G80.2Confident87.6Confident16 Ų1633 Ų3317%0.16517%0.165CC..THydrogen-bonded Turntrans74.923.4-179.400000114.5K504 L670 L671 L672K504-G674 PolarHBondContact NZ-O 3.4Å; L670-G674 PolarHBondContact O-N 2.86Å; L670-G674 VanDerWaalsContact O-N 3.12Å; L671-G674 PolarHBondContact O-N 2.86Å; L672-G674 VanDerWaalsContact C-N 3.27Å; L672-G674 PolarHBondContact O-N 2.83Å
675E81.8Confident87.7Confident38 Ų3839.5 Ų39.518%0.17820%0.195CC..  trans-101.759.2-179.5-63-166.1170.600112.3L670 Q677 E678 A679L670-E675 HydrophobicContact CB-CB 4.16Å; L670-E675 HydrophobicContact CD2-CB 4.11Å; L670-E675 VanDerWaalsContact CD2-OE2 3.25Å; L670-E675 WeakPolarHBondContact CD2-OE2 3.07Å; L670-E675 PolarHBondContact O-N 2.81Å; E675-Q677 VanDerWaalsContact C-N 3.28Å; E675-Q677 PolarHBondContact O-N 2.91Å; E675-Q677 VanDerWaalsContact O-N 3.16Å; E675-E678 PolarHBondContact O-N 2.99Å; E675-A679 WeakPolarHBondContact O-CB 3.45Å; E675-A679 PolarHBondContact O-N 3.22Å
676Y83.2Confident87.7Confident109 Ų10938.3 Ų38.343%0.42720%0.195SC..Hα-helixtrans-53.6-36.7-175.9-67.4-89000115.3L671 E680 L695 A699L671-Y676 HydrophobicContact CD2-CD1 3.29Å; L671-Y676 HydrophobicContact CD2-CE1 3.66Å; L671-Y676 HydrophobicContact CD2-CG 3.99Å; Y676-E680 WeakPolarHBondContact O-CB 3.31Å; Y676-E680 PolarHBondContact O-N 3.48Å; Y676-L695 HydrophobicContact CD1-CD2 4.27Å; Y676-A699 HydrophobicContact CD1-CB 4.18Å; Y676-A699 HydrophobicContact CE1-CB 4.24Å
677Q83.7Confident87.6Confident79 Ų7939.5 Ų39.537%0.36920%0.198SC..Hα-helixtrans-76.3-38.3-176.4-75.8170.6-32.100112.5L499 G500 E675 E680 A681L499-Q677 PolarHBondContact O-OE1 2.79Å; G500-Q677 VanDerWaalsContact CA-OE1 3.29Å; E675-Q677 VanDerWaalsContact C-N 3.28Å; E675-Q677 PolarHBondContact O-N 2.91Å; E675-Q677 VanDerWaalsContact O-N 3.16Å; Q677-E680 PolarHBondContact O-N 3.07Å; Q677-A681 WeakPolarHBondContact O-CB 3.5Å; Q677-A681 PolarHBondContact O-N 2.91Å
678E84.5Confident87.6Confident63 Ų6339.6 Ų39.629%0.29420%0.199SC..Hα-helixtrans-70.7-37.4174.1-63.8-155.8163.900110.4R497 L499 L670 E675 A681 I682R497-E678 IonicContact NH2-OE1 3.25Å; L499-E678 HydrophobicContact CD2-CG 4.34Å; L499-E678 WeakPolarHBondContact CD2-OE1 3.5Å; L670-E678 HydrophobicContact CD1-CB 3.78Å; E675-E678 PolarHBondContact O-N 2.99Å; E678-A681 PolarHBondContact O-N 3.39Å; E678-I682 WeakPolarHBondContact O-CG1 3.34Å; E678-I682 PolarHBondContact O-N 2.82Å
679A88.7Confident87.6Confident0 Ų040.4 Ų40.40%020%0.201CC..Hα-helixtrans-57.5-49.4171.200000111.9A667 L670 L671 E675 A681 I682 L683 L695A667-A679 HydrophobicContact CB-CB 4.46Å; A667-A679 VanDerWaalsContact O-CB 3.22Å; A667-A679 WeakPolarHBondContact O-CB 2.93Å; L670-A679 HydrophobicContact CB-CB 3.94Å; L671-A679 HydrophobicContact CD2-CB 3.87Å; L671-A679 HydrophobicContact CG-CB 3.74Å; E675-A679 WeakPolarHBondContact O-CB 3.45Å; E675-A679 PolarHBondContact O-N 3.22Å; A679-A681 VanDerWaalsContact C-N 3.34Å; A679-A681 PolarHBondContact O-N 3.2Å; A679-I682 PolarHBondContact O-N 3.12Å; A679-L683 WeakPolarHBondContact O-CG 3.5Å; A679-L683 PolarHBondContact O-N 3.37Å; A679-L683 VanDerWaalsContact O-N 3.1Å; A679-L695 HydrophobicContact CB-CD1 3.96Å
680E91.5Very high87.7Confident14 Ų1439.9 Ų39.97%0.06520%0.198CC..Hα-helixtrans-58.9-44.5174.6-176.6-172.9147.400111.4Y676 Q677 I682 L683 L684 A692 N696 R704Y676-E680 WeakPolarHBondContact O-CB 3.31Å; Y676-E680 PolarHBondContact O-N 3.48Å; Q677-E680 PolarHBondContact O-N 3.07Å; E680-I682 PolarHBondContact O-N 3.21Å; E680-L683 PolarHBondContact O-N 3.4Å; E680-L684 HydrophobicContact CG-CD1 3.85Å; E680-L684 HydrophobicContact CG-CG 4.15Å; E680-L684 WeakPolarHBondContact O-CB 3.43Å; E680-L684 VanDerWaalsContact O-CG 3.29Å; E680-L684 WeakPolarHBondContact O-CG 3.41Å; E680-L684 PolarHBondContact O-N 3.15Å; E680-A692 HydrophobicContact CG-CB 4.41Å; E680-N696 PolarHBondContact OE2-ND2 2.87Å; E680-R704 IonicContact OE1-CZ 3.18Å; E680-R704 VanDerWaalsContact OE1-CZ 3.25Å; E680-R704 IonicContact OE1-NE 2.84Å; E680-R704 PolarHBondContact OE1-NE 3.16Å; E680-R704 IonicContact OE1-NH2 3.04Å; E680-R704 PolarHBondContact OE1-NH2 2.87Å; E680-R704 IonicContact OE2-NE 3.66Å
681A89.6Confident87.9Confident41 Ų4141.5 Ų41.534%0.33920%0.204SC..Hα-helixtrans-61.1-42.8-179.800000112.3Q677 E678 A679 L684 Q685Q677-A681 WeakPolarHBondContact O-CB 3.5Å; Q677-A681 PolarHBondContact O-N 2.91Å; E678-A681 PolarHBondContact O-N 3.39Å; A679-A681 VanDerWaalsContact C-N 3.34Å; A679-A681 PolarHBondContact O-N 3.2Å; A681-L684 PolarHBondContact O-N 2.82Å; A681-Q685 WeakPolarHBondContact O-CB 3.39Å; A681-Q685 VanDerWaalsContact O-CG 3.24Å; A681-Q685 WeakPolarHBondContact O-CG 3.38Å; A681-Q685 PolarHBondContact O-N 3.18Å
682I90.9Very high88Confident37 Ų3740.2 Ų40.219%0.1920%0.197CC..Hα-helixtrans-61.8-45.5175.6-69.3-176.2000110.7E663 N666 A667 L670 E678 A679 E680 Q685 N686E663-I682 HydrophobicContact CB-CG2 4.33Å; N666-I682 HydrophobicContact CB-CD1 4.14Å; A667-I682 HydrophobicContact CB-CB 4.49Å; A667-I682 HydrophobicContact CB-CG2 4.27Å; L670-I682 HydrophobicContact CD1-CD1 3.4Å; L670-I682 HydrophobicContact CD1-CG1 4.3Å; E678-I682 WeakPolarHBondContact O-CG1 3.34Å; E678-I682 PolarHBondContact O-N 2.82Å; A679-I682 PolarHBondContact O-N 3.12Å; E680-I682 PolarHBondContact O-N 3.21Å; I682-Q685 PolarHBondContact O-N 2.88Å; I682-N686 PolarHBondContact O-N 3.5Å; I682-N686 PolarHBondContact O-ND2 2.87Å
683L92.1Very high88.3Confident8 Ų839.3 Ų39.34%0.04219%0.192CC..Hα-helixtrans-62.1-46.5178.8-67172.8000111.4A667 A679 E680 Q685 N686 H687 L688 R691 A692 L695A667-L683 HydrophobicContact CB-CD1 4.28Å; A667-L683 HydrophobicContact CB-CD2 3.67Å; A667-L683 HydrophobicContact CB-CG 3.7Å; A679-L683 WeakPolarHBondContact O-CG 3.5Å; A679-L683 PolarHBondContact O-N 3.37Å; A679-L683 VanDerWaalsContact O-N 3.1Å; E680-L683 PolarHBondContact O-N 3.4Å; L683-Q685 PolarHBondContact O-N 2.77Å; L683-N686 CarbonylContact O-C 3.51Å; L683-N686 PolarHBondContact O-N 3.34Å; L683-H687 PolarHBondContact O-N 3.34Å; L683-L688 HydrophobicContact CB-CB 4.15Å; L683-L688 HydrophobicContact CD2-CB 3.93Å; L683-L688 HydrophobicContact CD2-CD1 3.63Å; L683-L688 HydrophobicContact CD2-CG 4.44Å; L683-L688 WeakPolarHBondContact O-CB 3.45Å; L683-L688 PolarHBondContact O-N 3.36Å; L683-R691 HydrophobicContact CD1-CB 4.02Å; L683-R691 HydrophobicContact CD2-CB 4.06Å; L683-A692 HydrophobicContact CB-CB 4.05Å; L683-A692 HydrophobicContact CD1-CB 4.45Å; L683-L695 HydrophobicContact CD1-CD1 3.63Å
684L91.3Very high88.7Confident30 Ų3039.3 Ų39.316%0.15719%0.192CC..Hα-helixtrans-65.7-38.1-179.9-68.6-179.5000113.2E680 A681 N686 H687 Y689 A692 L708 Y712E680-L684 HydrophobicContact CG-CD1 3.85Å; E680-L684 HydrophobicContact CG-CG 4.15Å; E680-L684 WeakPolarHBondContact O-CB 3.43Å; E680-L684 VanDerWaalsContact O-CG 3.29Å; E680-L684 WeakPolarHBondContact O-CG 3.41Å; E680-L684 PolarHBondContact O-N 3.15Å; A681-L684 PolarHBondContact O-N 2.82Å; L684-N686 PolarHBondContact O-N 2.86Å; L684-H687 PolarHBondContact O-N 3.24Å; L684-Y689 HydrophobicContact CD2-CD1 3.82Å; L684-Y689 HydrophobicContact CD2-CE1 4.37Å; L684-A692 HydrophobicContact CD2-CB 3.58Å; L684-A692 HydrophobicContact CG-CB 4.01Å; L684-L708 HydrophobicContact CD1-CD2 4Å; L684-L708 HydrophobicContact CD2-CD2 4.04Å; L684-Y712 HydrophobicContact CD2-CE2 3.83Å
685Q90.2Very high89.2Confident145 Ų14539.2 Ų39.268%0.67819%0.187SC*.Hα-helixtrans-65.8-28.3177.3-78.2175.9-1.900112.7A681 I682 L683A681-Q685 WeakPolarHBondContact O-CB 3.39Å; A681-Q685 VanDerWaalsContact O-CG 3.24Å; A681-Q685 WeakPolarHBondContact O-CG 3.38Å; A681-Q685 PolarHBondContact O-N 3.18Å; I682-Q685 PolarHBondContact O-N 2.88Å; L683-Q685 PolarHBondContact O-N 2.77Å
686N88.9Confident89.7Confident60 Ų6037.4 Ų37.432%0.32118%0.179SC..THydrogen-bonded Turntrans-102.221.6-178.7-66.6-76.4000112.8E663 I682 L683 L684 L688E663-N686 HydrophobicContact CB-CB 4.31Å; E663-N686 HydrophobicContact CG-CB 4.21Å; E663-N686 WeakPolarHBondContact CG-OD1 3.38Å; I682-N686 PolarHBondContact O-N 3.5Å; I682-N686 PolarHBondContact O-ND2 2.87Å; L683-N686 CarbonylContact O-C 3.51Å; L683-N686 PolarHBondContact O-N 3.34Å; L684-N686 PolarHBondContact O-N 2.86Å; N686-L688 HydrophobicContact CB-CD1 4.48Å; N686-L688 HydrophobicContact CB-CG 4.47Å; N686-L688 PolarHBondContact O-N 3.03Å; N686-L688 VanDerWaalsContact O-N 3.1Å
687H88.7Confident90.1Very high92 Ų9232.4 Ų32.443%0.42616%0.159SC..THydrogen-bonded Turntrans60.218.5177.4-50.4-72.6000115L683 L684 Y689L683-H687 PolarHBondContact O-N 3.34Å; L684-H687 PolarHBondContact O-N 3.24Å; H687-Y689 HydrophobicContact CB-CE2 4.09Å; H687-Y689 AromaticContact ND1-CZ 3.65Å; H687-Y689 PolarHBondContact ND1-OH 3.46Å; H687-Y689 PolarHBondContact O-N 3.12Å
688L89.2Confident90.3Very high3 Ų334.4 Ų34.42%0.01617%0.168CC..  trans-85.260.4176.1-61.4173.2000110.5M664 L683 N686 R691 A692 E764 L768M664-L688 HydrophobicContact CG-CD1 3.73Å; L683-L688 HydrophobicContact CB-CB 4.15Å; L683-L688 HydrophobicContact CD2-CB 3.93Å; L683-L688 HydrophobicContact CD2-CD1 3.63Å; L683-L688 HydrophobicContact CD2-CG 4.44Å; L683-L688 WeakPolarHBondContact O-CB 3.45Å; L683-L688 PolarHBondContact O-N 3.36Å; N686-L688 HydrophobicContact CB-CD1 4.48Å; N686-L688 HydrophobicContact CB-CG 4.47Å; N686-L688 PolarHBondContact O-N 3.03Å; N686-L688 VanDerWaalsContact O-N 3.1Å; L688-R691 HydrophobicContact CB-CB 4.34Å; L688-A692 PolarHBondContact O-N 3.16Å; L688-A692 VanDerWaalsContact O-N 3.14Å; L688-E764 VanDerWaalsContact C-OE2 3.31Å; L688-E764 WeakPolarHBondContact CA-OE2 3.46Å; L688-E764 HydrophobicContact CD2-CG 4.09Å; L688-L768 HydrophobicContact CD2-CD1 3.49Å; L688-L768 VanDerWaalsContact CD2-CD1 3.49Å; L688-L768 HydrophobicContact CD2-CD2 3.95Å; L688-L768 HydrophobicContact CD2-CG 4.18Å
689Y90.5Very high90.4Very high46 Ų4632.8 Ų32.818%0.1817%0.166CC..Hα-helixtrans-68.5-39.7-170.7-56.2-51000113L684 H687 R691 A692 I693 Y712L684-Y689 HydrophobicContact CD2-CD1 3.82Å; L684-Y689 HydrophobicContact CD2-CE1 4.37Å; H687-Y689 HydrophobicContact CB-CE2 4.09Å; H687-Y689 AromaticContact ND1-CZ 3.65Å; H687-Y689 PolarHBondContact ND1-OH 3.46Å; H687-Y689 PolarHBondContact O-N 3.12Å; Y689-R691 VanDerWaalsContact C-N 3.35Å; Y689-R691 PolarHBondContact O-N 3.3Å; Y689-A692 PolarHBondContact O-N 3.42Å; Y689-I693 WeakPolarHBondContact O-CG1 3.48Å; Y689-I693 PolarHBondContact O-N 2.93Å; Y689-Y712 AromaticContact CD1-CD1 3.99Å; Y689-Y712 HydrophobicContact CD1-CD1 3.99Å; Y689-Y712 AromaticContact CD1-CD2 3.73Å; Y689-Y712 HydrophobicContact CD1-CD2 3.73Å; Y689-Y712 AromaticContact CD1-CE1 3.79Å; Y689-Y712 HydrophobicContact CD1-CE1 3.79Å; Y689-Y712 AromaticContact CD1-CE2 3.48Å; Y689-Y712 HydrophobicContact CD1-CE2 3.48Å; Y689-Y712 VanDerWaalsContact CD1-CE2 3.48Å; Y689-Y712 AromaticContact CD1-CG 3.98Å; Y689-Y712 HydrophobicContact CD1-CG 3.98Å; Y689-Y712 AromaticContact CD1-CZ 3.52Å; Y689-Y712 HydrophobicContact CD2-CD1 4.03Å; Y689-Y712 HydrophobicContact CD2-CE1 4.47Å; Y689-Y712 HydrophobicContact CD2-CG 4.13Å; Y689-Y712 AromaticContact CE1-CD1 3.91Å; Y689-Y712 HydrophobicContact CE1-CD1 3.91Å; Y689-Y712 HydrophobicContact CE1-CD2 4.33Å; Y689-Y712 AromaticContact CE1-CE1 3.37Å; Y689-Y712 HydrophobicContact CE1-CE1 3.37Å; Y689-Y712 AromaticContact CE1-CE2 3.82Å; Y689-Y712 HydrophobicContact CE1-CE2 3.82Å; Y689-Y712 HydrophobicContact CE1-CG 4.37Å; Y689-Y712 AromaticContact CE1-CZ 3.31Å; Y689-Y712 AromaticContact CE2-CD1 3.93Å; Y689-Y712 HydrophobicContact CE2-CD1 3.93Å; Y689-Y712 HydrophobicContact CE2-CE1 4.1Å; Y689-Y712 HydrophobicContact CE2-CG 4.48Å; Y689-Y712 HydrophobicContact CG-CD1 4.05Å; Y689-Y712 AromaticContact CG-CD2 3.89Å; Y689-Y712 HydrophobicContact CG-CD2 3.89Å; Y689-Y712 HydrophobicContact CG-CE1 4.32Å; Y689-Y712 HydrophobicContact CG-CE2 4.14Å; Y689-Y712 AromaticContact CG-CG 3.84Å; Y689-Y712 HydrophobicContact CG-CG 3.84Å; Y689-Y712 AromaticContact CZ-CD1 3.85Å; Y689-Y712 AromaticContact CZ-CE1 3.52Å; Y689-Y712 AromaticContact CZ-CZ 3.98Å
690F91.8Very high90.4Very high2 Ų238.5 Ų38.51%0.00919%0.191CC..Hα-helixtrans-64.4-44.1-179.2-177.4-117.9000110.5A692 I693 M694 L714 A715 I718 I757 E760 Y761 E764F690-A692 VanDerWaalsContact C-N 3.33Å; F690-A692 PolarHBondContact O-N 2.98Å; F690-I693 WeakPolarHBondContact O-CB 3.38Å; F690-I693 PolarHBondContact O-N 2.76Å; F690-I693 VanDerWaalsContact O-N 3.15Å; F690-M694 HydrophobicContact CD1-CG 4.31Å; F690-M694 HydrophobicContact CD2-CG 4.5Å; F690-M694 HydrophobicContact CE1-CG 3.89Å; F690-M694 HydrophobicContact CE2-CG 4.07Å; F690-M694 HydrophobicContact CE2-SD 4.21Å; F690-M694 HydrophobicContact CZ-CG 3.75Å; F690-M694 HydrophobicContact CZ-SD 3.91Å; F690-M694 WeakPolarHBondContact O-CG 3.24Å; F690-M694 PolarHBondContact O-N 3.2Å; F690-L714 HydrophobicContact CB-CD2 3.87Å; F690-A715 HydrophobicContact CD2-CB 3.71Å; F690-A715 HydrophobicContact CE2-CB 3.64Å; F690-I718 HydrophobicContact CE2-CD1 3.66Å; F690-I718 HydrophobicContact CZ-CD1 3.96Å; F690-I757 HydrophobicContact CE1-CG2 4.25Å; F690-I757 HydrophobicContact CZ-CB 4.36Å; F690-I757 HydrophobicContact CZ-CG1 4.32Å; F690-I757 HydrophobicContact CZ-CG2 4.09Å; F690-E760 HydrophobicContact CD1-CB 3.83Å; F690-E760 HydrophobicContact CD2-CB 3.8Å; F690-E760 HydrophobicContact CD2-CG 4.3Å; F690-E760 HydrophobicContact CE1-CB 3.69Å; F690-E760 HydrophobicContact CE2-CB 3.68Å; F690-E760 HydrophobicContact CE2-CG 4.08Å; F690-E760 HydrophobicContact CG-CB 3.89Å; F690-E760 HydrophobicContact CZ-CB 3.63Å; F690-E760 HydrophobicContact CZ-CG 4.36Å; F690-Y761 AromaticContact CD1-CD1 3.77Å; F690-Y761 HydrophobicContact CD1-CD1 3.77Å; F690-Y761 HydrophobicContact CD1-CD2 4.35Å; F690-Y761 AromaticContact CD1-CE1 3.77Å; F690-Y761 HydrophobicContact CD1-CE1 3.77Å; F690-Y761 HydrophobicContact CD1-CE2 4.36Å; F690-Y761 HydrophobicContact CD1-CG 4.06Å; F690-Y761 AromaticContact CE1-CD1 3.94Å; F690-Y761 HydrophobicContact CE1-CD1 3.94Å; F690-Y761 AromaticContact CE1-CD2 3.68Å; F690-Y761 HydrophobicContact CE1-CD2 3.68Å; F690-Y761 AromaticContact CE1-CE1 3.89Å; F690-Y761 HydrophobicContact CE1-CE1 3.89Å; F690-Y761 AromaticContact CE1-CE2 3.63Å; F690-Y761 HydrophobicContact CE1-CE2 3.63Å; F690-Y761 AromaticContact CE1-CG 3.82Å; F690-Y761 HydrophobicContact CE1-CG 3.82Å; F690-Y761 AromaticContact CE1-CZ 3.73Å; F690-E764 WeakPolarHBondContact CB-OE2 3.04Å; F690-E764 PolarHBondContact N-OE2 2.99Å
691R90.9Very high90.3Very high35 Ų3541.6 Ų41.613%0.13220%0.204CC..Hα-helixtrans-58.7-41.7172.5-76.5171.6179-97.2-14.7113.2M664 L683 L688 Y689 I693 M694 L695 Y761 E764M664-R691 VanDerWaalsContact CE-NH1 3.33Å; L683-R691 HydrophobicContact CD1-CB 4.02Å; L683-R691 HydrophobicContact CD2-CB 4.06Å; L688-R691 HydrophobicContact CB-CB 4.34Å; Y689-R691 VanDerWaalsContact C-N 3.35Å; Y689-R691 PolarHBondContact O-N 3.3Å; R691-I693 VanDerWaalsContact C-N 3.28Å; R691-I693 PolarHBondContact O-N 3.3Å; R691-M694 PolarHBondContact O-N 3.23Å; R691-L695 VanDerWaalsContact O-CB 3.27Å; R691-L695 WeakPolarHBondContact O-CB 3.36Å; R691-L695 PolarHBondContact O-N 2.98Å; R691-Y761 HydrophobicContact CG-CE1 3.78Å; R691-E764 WeakPolarHBondContact CD-OE1 3.49Å; R691-E764 WeakPolarHBondContact CG-OE1 3.47Å; R691-E764 PolarHBondContact N-OE2 2.96Å; R691-E764 IonicContact NE-OE1 3.04Å; R691-E764 PolarHBondContact NE-OE1 3.48Å
692A91Very high90.5Very high0 Ų040.5 Ų40.50%019%0.191CC..Hα-helixtrans-64.1-34.9177.300000112.3E680 L683 L684 L688 Y689 F690 N696 L708E680-A692 HydrophobicContact CG-CB 4.41Å; L683-A692 HydrophobicContact CB-CB 4.05Å; L683-A692 HydrophobicContact CD1-CB 4.45Å; L684-A692 HydrophobicContact CD2-CB 3.58Å; L684-A692 HydrophobicContact CG-CB 4.01Å; L688-A692 PolarHBondContact O-N 3.16Å; L688-A692 VanDerWaalsContact O-N 3.14Å; Y689-A692 PolarHBondContact O-N 3.42Å; F690-A692 VanDerWaalsContact C-N 3.33Å; F690-A692 PolarHBondContact O-N 2.98Å; A692-N696 PolarHBondContact O-N 2.73Å; A692-N696 PolarHBondContact O-ND2 3.09Å; A692-L708 HydrophobicContact CB-CD1 4.24Å
693I92.4Very high90.5Very high0 Ų042 Ų420%020%0.199CC..Hα-helixtrans-67.2-51172.8-65.4162.7000109.9Y689 F690 R691 L695 N696 L697 A705 L708 A709 L714 A715 V719Y689-I693 WeakPolarHBondContact O-CG1 3.48Å; Y689-I693 PolarHBondContact O-N 2.93Å; F690-I693 WeakPolarHBondContact O-CB 3.38Å; F690-I693 PolarHBondContact O-N 2.76Å; F690-I693 VanDerWaalsContact O-N 3.15Å; R691-I693 VanDerWaalsContact C-N 3.28Å; R691-I693 PolarHBondContact O-N 3.3Å; I693-L695 VanDerWaalsContact C-N 3.33Å; I693-L695 PolarHBondContact O-N 3.23Å; I693-N696 PolarHBondContact O-N 3.18Å; I693-N696 VanDerWaalsContact O-N 3.08Å; I693-L697 HydrophobicContact CG2-CD1 3.91Å; I693-L697 HydrophobicContact CG2-CG 4.37Å; I693-L697 WeakPolarHBondContact O-CG 3.15Å; I693-L697 PolarHBondContact O-N 3.43Å; I693-A705 HydrophobicContact CG2-CB 4.44Å; I693-L708 HydrophobicContact CG1-CB 3.77Å; I693-A709 HydrophobicContact CD1-CB 4.04Å; I693-L714 HydrophobicContact CD1-CB 4.34Å; I693-L714 HydrophobicContact CD1-CD2 4.27Å; I693-A715 HydrophobicContact CD1-CB 4.48Å; I693-V719 HydrophobicContact CG2-CG2 3.51Å
694M92.7Very high90.5Very high8 Ų846 Ų464%0.03921%0.214CC..Hα-helixtrans-59.6-41179-71.3-57.4-60.200112.4F690 R691 N696 L697 H698 I718 M722 I757F690-M694 HydrophobicContact CD1-CG 4.31Å; F690-M694 HydrophobicContact CD2-CG 4.5Å; F690-M694 HydrophobicContact CE1-CG 3.89Å; F690-M694 HydrophobicContact CE2-CG 4.07Å; F690-M694 HydrophobicContact CE2-SD 4.21Å; F690-M694 HydrophobicContact CZ-CG 3.75Å; F690-M694 HydrophobicContact CZ-SD 3.91Å; F690-M694 WeakPolarHBondContact O-CG 3.24Å; F690-M694 PolarHBondContact O-N 3.2Å; R691-M694 PolarHBondContact O-N 3.23Å; M694-N696 VanDerWaalsContact C-N 3.32Å; M694-N696 PolarHBondContact O-N 2.98Å; M694-L697 PolarHBondContact O-N 2.65Å; M694-L697 HydrophobicContact SD-CD1 3.84Å; M694-H698 WeakPolarHBondContact CE-NE2 3.19Å; M694-H698 WeakPolarHBondContact O-CB 3.5Å; M694-H698 PolarHBondContact O-CD2 2.99Å; M694-H698 PolarHBondContact O-N 2.67Å; M694-I718 HydrophobicContact SD-CG2 4.36Å; M694-M722 HydrophobicContact CE-SD 4.18Å; M694-M722 HydrophobicContact SD-SD 4.42Å; M694-I757 HydrophobicContact CE-CD1 4.3Å
695L90.5Very high90.5Very high14 Ų1444.6 Ų44.67%0.07321%0.207CC..Hα-helixtrans-55-48.2172.8-177.8167.7000110.9L671 Y676 A679 L683 R691 I693 H698 A699L671-L695 HydrophobicContact CD1-CD1 3.9Å; L671-L695 HydrophobicContact CD1-CG 4.12Å; L671-L695 HydrophobicContact CD2-CD1 3.88Å; L671-L695 HydrophobicContact CD2-CD2 4.29Å; L671-L695 HydrophobicContact CD2-CG 3.95Å; L671-L695 HydrophobicContact CG-CD1 4.23Å; Y676-L695 HydrophobicContact CD1-CD2 4.27Å; A679-L695 HydrophobicContact CB-CD1 3.96Å; L683-L695 HydrophobicContact CD1-CD1 3.63Å; R691-L695 VanDerWaalsContact O-CB 3.27Å; R691-L695 WeakPolarHBondContact O-CB 3.36Å; R691-L695 PolarHBondContact O-N 2.98Å; I693-L695 VanDerWaalsContact C-N 3.33Å; I693-L695 PolarHBondContact O-N 3.23Å; L695-H698 PolarHBondContact O-N 2.84Å; L695-A699 VanDerWaalsContact O-CB 3.29Å; L695-A699 WeakPolarHBondContact O-CB 3.43Å; L695-A699 PolarHBondContact O-N 2.74Å
696N91.3Very high90.6Very high0 Ų037.8 Ų37.80%018%0.175CC..Hα-helixtrans-68.8-33.5179.1-83.3-74.2000112.7E680 A692 I693 M694 A699 F700 K701 R704 A705E680-N696 PolarHBondContact OE2-ND2 2.87Å; A692-N696 PolarHBondContact O-N 2.73Å; A692-N696 PolarHBondContact O-ND2 3.09Å; I693-N696 PolarHBondContact O-N 3.18Å; I693-N696 VanDerWaalsContact O-N 3.08Å; M694-N696 VanDerWaalsContact C-N 3.32Å; M694-N696 PolarHBondContact O-N 2.98Å; N696-A699 CarbonylContact O-C 3.57Å; N696-A699 PolarHBondContact O-N 3.26Å; N696-F700 PolarHBondContact O-N 2.81Å; N696-K701 HydrophobicContact CB-CB 4.26Å; N696-K701 PolarHBondContact O-N 2.81Å; N696-K701 WeakPolarHBondContact OD1-CD 3.33Å; N696-R704 VanDerWaalsContact OD1-CG 3.25Å; N696-R704 WeakPolarHBondContact OD1-CG 3.38Å; N696-A705 HydrophobicContact CB-CB 3.83Å
697L91.6Very high90.8Very high3 Ų340 Ų402%0.01618%0.184CC..Hα-helixtrans-65.2-48173.4-70.5169.4000111.4I693 M694 A699 F700 W702 A705 I718 V719 M722I693-L697 HydrophobicContact CG2-CD1 3.91Å; I693-L697 HydrophobicContact CG2-CG 4.37Å; I693-L697 WeakPolarHBondContact O-CG 3.15Å; I693-L697 PolarHBondContact O-N 3.43Å; M694-L697 PolarHBondContact O-N 2.65Å; M694-L697 HydrophobicContact SD-CD1 3.84Å; L697-A699 VanDerWaalsContact C-N 3.28Å; L697-A699 PolarHBondContact O-N 2.79Å; L697-F700 WeakPolarHBondContact O-CA 3.36Å; L697-F700 PolarHBondContact O-N 3.11Å; L697-W702 HydrophobicContact CD2-CE3 3.68Å; L697-W702 HydrophobicContact CD2-CZ3 3.53Å; L697-A705 HydrophobicContact CD2-CB 3.72Å; L697-A705 HydrophobicContact CG-CB 3.8Å; L697-I718 HydrophobicContact CD1-CG2 4.44Å; L697-V719 HydrophobicContact CD1-CG2 3.96Å; L697-V719 HydrophobicContact CD2-CB 4.35Å; L697-V719 HydrophobicContact CD2-CG1 4.14Å; L697-V719 HydrophobicContact CD2-CG2 4.15Å; L697-V719 HydrophobicContact CG-CG2 4.39Å; L697-M722 HydrophobicContact CB-CE 4.23Å; L697-M722 HydrophobicContact CB-SD 4.34Å; L697-M722 HydrophobicContact CD1-SD 3.71Å; L697-M722 HydrophobicContact CG-SD 4.48Å
698H88.6Confident90.9Very high121 Ų12135.8 Ų35.856%0.5616%0.164SC*.Hα-helixtrans-64.1-32.8176.1-69.2-53.6000112.5M694 L695 F700M694-H698 WeakPolarHBondContact CE-NE2 3.19Å; M694-H698 WeakPolarHBondContact O-CB 3.5Å; M694-H698 PolarHBondContact O-CD2 2.99Å; M694-H698 PolarHBondContact O-N 2.67Å; L695-H698 PolarHBondContact O-N 2.84Å; H698-F700 WeakPolarHBondContact O-CD2 3.2Å; H698-F700 PolarHBondContact O-N 3.11Å
699A86.1Confident91Very high29 Ų2935.6 Ų35.624%0.2416%0.163CC..THydrogen-bonded Turntrans-80.56.8172.900000113.8Y676 L695 N696 L697 K701Y676-A699 HydrophobicContact CD1-CB 4.18Å; Y676-A699 HydrophobicContact CE1-CB 4.24Å; L695-A699 VanDerWaalsContact O-CB 3.29Å; L695-A699 WeakPolarHBondContact O-CB 3.43Å; L695-A699 PolarHBondContact O-N 2.74Å; N696-A699 CarbonylContact O-C 3.57Å; N696-A699 PolarHBondContact O-N 3.26Å; L697-A699 VanDerWaalsContact C-N 3.28Å; L697-A699 PolarHBondContact O-N 2.79Å; A699-K701 HydrophobicContact CB-CD 4.42Å; A699-K701 HydrophobicContact CB-CG 4.27Å; A699-K701 PolarHBondContact O-N 2.94Å; A699-K701 VanDerWaalsContact O-N 3.09Å
700F89.4Confident91Very high121 Ų12136.6 Ų36.653%0.53117%0.172SC..THydrogen-bonded Turntrans55.522.5-177.2-58.1-84.5000114.7N696 L697 H698 W702 Y726N696-F700 PolarHBondContact O-N 2.81Å; L697-F700 WeakPolarHBondContact O-CA 3.36Å; L697-F700 PolarHBondContact O-N 3.11Å; H698-F700 WeakPolarHBondContact O-CD2 3.2Å; H698-F700 PolarHBondContact O-N 3.11Å; F700-W702 AromaticContact CD1-CZ2 3.7Å; F700-W702 HydrophobicContact CD1-CZ2 3.7Å; F700-W702 HydrophobicContact CE1-CZ2 4.3Å; F700-W702 PolarHBondContact O-N 2.84Å; F700-W702 PolarHBondContact O-NE1 2.81Å; F700-Y726 HydrophobicContact CD1-CD2 4.18Å; F700-Y726 AromaticContact CD1-CE2 3.76Å; F700-Y726 HydrophobicContact CD1-CE2 3.76Å; F700-Y726 AromaticContact CE1-CD2 3.78Å; F700-Y726 HydrophobicContact CE1-CD2 3.78Å; F700-Y726 AromaticContact CE1-CE2 3.48Å; F700-Y726 HydrophobicContact CE1-CE2 3.48Å; F700-Y726 VanDerWaalsContact CE1-CE2 3.48Å
701K89.6Confident91.1Very high78 Ų7843.6 Ų43.634%0.33920%0.202SC..  trans-85.963175.8-66-178.6-179.3172.80110.4N696 A699 N703 R704 A705N696-K701 HydrophobicContact CB-CB 4.26Å; N696-K701 PolarHBondContact O-N 2.81Å; N696-K701 WeakPolarHBondContact OD1-CD 3.33Å; A699-K701 HydrophobicContact CB-CD 4.42Å; A699-K701 HydrophobicContact CB-CG 4.27Å; A699-K701 PolarHBondContact O-N 2.94Å; A699-K701 VanDerWaalsContact O-N 3.09Å; K701-N703 PolarHBondContact O-N 2.9Å; K701-R704 HydrophobicContact CB-CB 4.07Å; K701-R704 WeakPolarHBondContact O-CB 3.46Å; K701-R704 PolarHBondContact O-N 3.17Å; K701-A705 PolarHBondContact O-N 2.79Å
702W92.6Very high91Very high19 Ų1945 Ų457%0.07221%0.208CC..Hα-helixtrans-52.7-47.7-172-58.1106.2000114.4L697 F700 R704 A705 L706 M722 R723 Y726 L736 F739L697-W702 HydrophobicContact CD2-CE3 3.68Å; L697-W702 HydrophobicContact CD2-CZ3 3.53Å; F700-W702 AromaticContact CD1-CZ2 3.7Å; F700-W702 HydrophobicContact CD1-CZ2 3.7Å; F700-W702 HydrophobicContact CE1-CZ2 4.3Å; F700-W702 PolarHBondContact O-N 2.84Å; F700-W702 PolarHBondContact O-NE1 2.81Å; W702-R704 VanDerWaalsContact C-N 3.31Å; W702-R704 PolarHBondContact O-N 2.8Å; W702-A705 PolarHBondContact O-N 2.93Å; W702-L706 WeakPolarHBondContact O-CB 3.4Å; W702-L706 PolarHBondContact O-N 2.91Å; W702-M722 HydrophobicContact CH2-CB 4.39Å; W702-M722 HydrophobicContact CZ3-CB 4.06Å; W702-R723 HydrophobicContact CD2-CB 4.5Å; W702-R723 HydrophobicContact CE3-CB 3.84Å; W702-R723 HydrophobicContact CE3-CG 4.4Å; W702-R723 HydrophobicContact CZ3-CB 3.9Å; W702-Y726 HydrophobicContact CH2-CG 4.2Å; W702-Y726 AromaticContact CZ2-CD1 3.67Å; W702-Y726 HydrophobicContact CZ2-CD1 3.67Å; W702-Y726 HydrophobicContact CZ2-CD2 4.03Å; W702-Y726 HydrophobicContact CZ2-CE1 4.25Å; W702-Y726 AromaticContact CZ2-CG 3.53Å; W702-Y726 HydrophobicContact CZ2-CG 3.53Å; W702-Y726 AromaticContact NE1-CE1 3.97Å; W702-L736 HydrophobicContact CB-CD1 4.04Å; W702-F739 HydrophobicContact CB-CE2 3.82Å; W702-F739 HydrophobicContact CB-CZ 3.88Å
703N91.2Very high90.9Very high67 Ų6752 Ų5236%0.35825%0.245SC..Hα-helixtrans-60.2-42.7177.7-74.2-29.7000111.8K701 L706 E707 S738K701-N703 PolarHBondContact O-N 2.9Å; N703-L706 PolarHBondContact O-N 2.88Å; N703-E707 WeakPolarHBondContact O-CB 3.25Å; N703-E707 VanDerWaalsContact O-CG 3.29Å; N703-E707 WeakPolarHBondContact O-CG 3.49Å; N703-E707 PolarHBondContact O-N 3.06Å; N703-S738 PolarHBondContact OD1-OG 3.36Å
704R91.5Very high90.6Very high94 Ų9453.9 Ų53.936%0.35526%0.255SS..Hα-helixtrans-68.6-41.3-179.7-17656.4178.4172.21.5111.7E680 N696 K701 W702 L706 E707 L708E680-R704 IonicContact OE1-CZ 3.18Å; E680-R704 VanDerWaalsContact OE1-CZ 3.25Å; E680-R704 IonicContact OE1-NE 2.84Å; E680-R704 PolarHBondContact OE1-NE 3.16Å; E680-R704 IonicContact OE1-NH2 3.04Å; E680-R704 PolarHBondContact OE1-NH2 2.87Å; E680-R704 IonicContact OE2-NE 3.66Å; N696-R704 VanDerWaalsContact OD1-CG 3.25Å; N696-R704 WeakPolarHBondContact OD1-CG 3.38Å; K701-R704 HydrophobicContact CB-CB 4.07Å; K701-R704 WeakPolarHBondContact O-CB 3.46Å; K701-R704 PolarHBondContact O-N 3.17Å; W702-R704 VanDerWaalsContact C-N 3.31Å; W702-R704 PolarHBondContact O-N 2.8Å; R704-L706 VanDerWaalsContact C-N 3.35Å; R704-E707 IonicContact NH1-OE2 3.69Å; R704-E707 PolarHBondContact NH1-OE2 2.97Å; R704-E707 VanDerWaalsContact NH1-OE2 3.15Å; R704-E707 PolarHBondContact O-N 2.89Å; R704-L708 WeakPolarHBondContact O-CG 3.28Å; R704-L708 PolarHBondContact O-N 2.9Å
705A92.2Very high90.1Very high0 Ų053.7 Ų53.70%026%0.255CS..Hα-helixtrans-58.7-46.5173.700000111.4I693 N696 L697 K701 W702 L708 A709 V719I693-A705 HydrophobicContact CG2-CB 4.44Å; N696-A705 HydrophobicContact CB-CB 3.83Å; L697-A705 HydrophobicContact CD2-CB 3.72Å; L697-A705 HydrophobicContact CG-CB 3.8Å; K701-A705 PolarHBondContact O-N 2.79Å; W702-A705 PolarHBondContact O-N 2.93Å; A705-L708 PolarHBondContact O-N 2.86Å; A705-A709 WeakPolarHBondContact O-CB 3.45Å; A705-A709 PolarHBondContact O-N 2.94Å; A705-V719 HydrophobicContact CB-CG1 4.45Å; A705-V719 HydrophobicContact CB-CG2 4.41Å
706L92Very high89.9Confident2 Ų253.8 Ų53.81%0.0126%0.256CS..Hα-helixtrans-67.2-39178.9-174.963.2000112.7W702 N703 R704 A709 N710 V716 V719 L720 F739 Q742W702-L706 WeakPolarHBondContact O-CB 3.4Å; W702-L706 PolarHBondContact O-N 2.91Å; N703-L706 PolarHBondContact O-N 2.88Å; R704-L706 VanDerWaalsContact C-N 3.35Å; L706-A709 PolarHBondContact O-N 3.07Å; L706-N710 WeakPolarHBondContact O-CB 3.41Å; L706-N710 VanDerWaalsContact O-CG 3.31Å; L706-N710 PolarHBondContact O-N 2.87Å; L706-N710 PolarHBondContact O-ND2 2.87Å; L706-N710 VanDerWaalsContact O-ND2 3.14Å; L706-V716 HydrophobicContact CD1-CG1 4.36Å; L706-V719 HydrophobicContact CB-CG1 4.01Å; L706-V719 HydrophobicContact CD1-CG1 4.03Å; L706-L720 HydrophobicContact CD1-CD2 4.47Å; L706-F739 HydrophobicContact CB-CE2 4.1Å; L706-F739 HydrophobicContact CB-CZ 3.89Å; L706-F739 HydrophobicContact CD2-CD1 4.11Å; L706-F739 HydrophobicContact CD2-CD2 3.72Å; L706-F739 HydrophobicContact CD2-CE1 4.1Å; L706-F739 HydrophobicContact CD2-CE2 3.71Å; L706-F739 HydrophobicContact CD2-CG 3.91Å; L706-F739 HydrophobicContact CD2-CZ 3.9Å; L706-F739 HydrophobicContact CG-CZ 4.38Å; L706-Q742 HydrophobicContact CD1-CG 4.14Å; L706-Q742 HydrophobicContact CD2-CG 4Å
707E92.6Very high89.7Confident107 Ų10755.5 Ų55.550%0.527%0.265SS..Hα-helixtrans-57.8-47.4172.7-80172.4-167.300111.9N703 R704 K711N703-E707 WeakPolarHBondContact O-CB 3.25Å; N703-E707 VanDerWaalsContact O-CG 3.29Å; N703-E707 WeakPolarHBondContact O-CG 3.49Å; N703-E707 PolarHBondContact O-N 3.06Å; R704-E707 IonicContact NH1-OE2 3.69Å; R704-E707 PolarHBondContact NH1-OE2 2.97Å; R704-E707 VanDerWaalsContact NH1-OE2 3.15Å; R704-E707 PolarHBondContact O-N 2.89Å; E707-K711 WeakPolarHBondContact O-CB 3.17Å; E707-K711 PolarHBondContact O-N 3Å
708L91.9Very high89.6Confident2 Ų255.4 Ų55.41%0.0126%0.264CS..Hα-helixtrans-65.9-43.7178.7-68.9177.3000111.5L684 A692 I693 R704 A705 N710 K711 Y712L684-L708 HydrophobicContact CD1-CD2 4Å; L684-L708 HydrophobicContact CD2-CD2 4.04Å; A692-L708 HydrophobicContact CB-CD1 4.24Å; I693-L708 HydrophobicContact CG1-CB 3.77Å; R704-L708 WeakPolarHBondContact O-CG 3.28Å; R704-L708 PolarHBondContact O-N 2.9Å; A705-L708 PolarHBondContact O-N 2.86Å; L708-N710 PolarHBondContact O-N 2.72Å; L708-K711 PolarHBondContact O-N 3.37Å; L708-Y712 HydrophobicContact CD2-CE2 4.07Å; L708-Y712 VanDerWaalsContact O-CD2 3.29Å; L708-Y712 WeakPolarHBondContact O-CD2 3.32Å; L708-Y712 PolarHBondContact O-N 3.14Å
709A90.9Very high89.7Confident0 Ų049.6 Ų49.60%024%0.238CC..Hα-helixtrans-58.8-46176.900000112I693 A705 L706 N713 L714 V716 V719I693-A709 HydrophobicContact CD1-CB 4.04Å; A705-A709 WeakPolarHBondContact O-CB 3.45Å; A705-A709 PolarHBondContact O-N 2.94Å; L706-A709 PolarHBondContact O-N 3.07Å; A709-N713 CarbonylContact O-C 3.49Å; A709-N713 VanDerWaalsContact O-CA 3.24Å; A709-N713 WeakPolarHBondContact O-CA 3.43Å; A709-N713 PolarHBondContact O-N 2.93Å; A709-L714 WeakPolarHBondContact CA-O 3.33Å; A709-L714 WeakPolarHBondContact CB-O 3.31Å; A709-L714 PolarHBondContact O-N 2.89Å; A709-V716 HydrophobicContact CB-CG2 3.96Å; A709-V719 HydrophobicContact CB-CG2 3.92Å
710N91.3Very high89.8Confident67 Ų6749.6 Ų49.636%0.35823%0.233SC..Hα-helixtrans-67.5-41.3176-73-34000112.5L706 L708 Y712 N713 Q742L706-N710 WeakPolarHBondContact O-CB 3.41Å; L706-N710 VanDerWaalsContact O-CG 3.31Å; L706-N710 PolarHBondContact O-N 2.87Å; L706-N710 PolarHBondContact O-ND2 2.87Å; L706-N710 VanDerWaalsContact O-ND2 3.14Å; L708-N710 PolarHBondContact O-N 2.72Å; N710-Y712 VanDerWaalsContact C-N 3.33Å; N710-Y712 PolarHBondContact O-N 2.78Å; N710-N713 PolarHBondContact O-N 3.16Å; N710-Q742 PolarHBondContact ND2-NE2 3.13Å
711K92.4Very high89.8Confident148 Ų14843.8 Ų43.864%0.64321%0.208SC*.Hα-helixtrans-62.2-40.1-178.5-179.3-179.9176.7-171.80112.3E707 L708E707-K711 WeakPolarHBondContact O-CB 3.17Å; E707-K711 PolarHBondContact O-N 3Å; L708-K711 PolarHBondContact O-N 3.37Å
712Y89.6Confident89.8Confident65 Ų6542 Ų4226%0.25520%0.201SC..Hα-helixtrans-100.24-179.9-60.3-66.2000113.3L684 Y689 L708 N710 L714L684-Y712 HydrophobicContact CD2-CE2 3.83Å; Y689-Y712 AromaticContact CD1-CD1 3.99Å; Y689-Y712 HydrophobicContact CD1-CD1 3.99Å; Y689-Y712 AromaticContact CD1-CD2 3.73Å; Y689-Y712 HydrophobicContact CD1-CD2 3.73Å; Y689-Y712 AromaticContact CD1-CE1 3.79Å; Y689-Y712 HydrophobicContact CD1-CE1 3.79Å; Y689-Y712 AromaticContact CD1-CE2 3.48Å; Y689-Y712 HydrophobicContact CD1-CE2 3.48Å; Y689-Y712 VanDerWaalsContact CD1-CE2 3.48Å; Y689-Y712 AromaticContact CD1-CG 3.98Å; Y689-Y712 HydrophobicContact CD1-CG 3.98Å; Y689-Y712 AromaticContact CD1-CZ 3.52Å; Y689-Y712 HydrophobicContact CD2-CD1 4.03Å; Y689-Y712 HydrophobicContact CD2-CE1 4.47Å; Y689-Y712 HydrophobicContact CD2-CG 4.13Å; Y689-Y712 AromaticContact CE1-CD1 3.91Å; Y689-Y712 HydrophobicContact CE1-CD1 3.91Å; Y689-Y712 HydrophobicContact CE1-CD2 4.33Å; Y689-Y712 AromaticContact CE1-CE1 3.37Å; Y689-Y712 HydrophobicContact CE1-CE1 3.37Å; Y689-Y712 AromaticContact CE1-CE2 3.82Å; Y689-Y712 HydrophobicContact CE1-CE2 3.82Å; Y689-Y712 HydrophobicContact CE1-CG 4.37Å; Y689-Y712 AromaticContact CE1-CZ 3.31Å; Y689-Y712 AromaticContact CE2-CD1 3.93Å; Y689-Y712 HydrophobicContact CE2-CD1 3.93Å; Y689-Y712 HydrophobicContact CE2-CE1 4.1Å; Y689-Y712 HydrophobicContact CE2-CG 4.48Å; Y689-Y712 HydrophobicContact CG-CD1 4.05Å; Y689-Y712 AromaticContact CG-CD2 3.89Å; Y689-Y712 HydrophobicContact CG-CD2 3.89Å; Y689-Y712 HydrophobicContact CG-CE1 4.32Å; Y689-Y712 HydrophobicContact CG-CE2 4.14Å; Y689-Y712 AromaticContact CG-CG 3.84Å; Y689-Y712 HydrophobicContact CG-CG 3.84Å; Y689-Y712 AromaticContact CZ-CD1 3.85Å; Y689-Y712 AromaticContact CZ-CE1 3.52Å; Y689-Y712 AromaticContact CZ-CZ 3.98Å; L708-Y712 HydrophobicContact CD2-CE2 4.07Å; L708-Y712 VanDerWaalsContact O-CD2 3.29Å; L708-Y712 WeakPolarHBondContact O-CD2 3.32Å; L708-Y712 PolarHBondContact O-N 3.14Å; N710-Y712 VanDerWaalsContact C-N 3.33Å; N710-Y712 PolarHBondContact O-N 2.78Å; Y712-L714 VanDerWaalsContact C-N 3.27Å; Y712-L714 PolarHBondContact O-N 3.16Å
713N87.6Confident89.8Confident146 Ų14642.2 Ų42.278%0.78120%0.202SC*.THydrogen-bonded Turntrans48.348.3-176.8-163.331.7000112.6A709 N710A709-N713 CarbonylContact O-C 3.49Å; A709-N713 VanDerWaalsContact O-CA 3.24Å; A709-N713 WeakPolarHBondContact O-CA 3.43Å; A709-N713 PolarHBondContact O-N 2.93Å; N710-N713 PolarHBondContact O-N 3.16Å
714L86.6Confident89.6Confident40 Ų4043 Ų4321%0.20920%0.204CC..  trans-134.9134.5-170.2-172.472.2000110.1F690 I693 A709 Y712 V716 E760F690-L714 HydrophobicContact CB-CD2 3.87Å; I693-L714 HydrophobicContact CD1-CB 4.34Å; I693-L714 HydrophobicContact CD1-CD2 4.27Å; A709-L714 WeakPolarHBondContact CA-O 3.33Å; A709-L714 WeakPolarHBondContact CB-O 3.31Å; A709-L714 PolarHBondContact O-N 2.89Å; Y712-L714 VanDerWaalsContact C-N 3.27Å; Y712-L714 PolarHBondContact O-N 3.16Å; L714-V716 VanDerWaalsContact C-N 3.25Å; L714-V716 PolarHBondContact O-N 2.78Å; L714-V716 VanDerWaalsContact O-N 3.11Å; L714-E760 WeakPolarHBondContact CD1-OE2 3.17Å
715A83.1Confident89.5Confident5 Ų540.6 Ų40.64%0.04120%0.198CC..SBendtrans55.228.5169.400000116.4F690 I693 D717 I718 V719F690-A715 HydrophobicContact CD2-CB 3.71Å; F690-A715 HydrophobicContact CE2-CB 3.64Å; I693-A715 HydrophobicContact CD1-CB 4.48Å; A715-D717 VanDerWaalsContact C-N 3.33Å; A715-D717 WeakPolarHBondContact CA-OD1 3.43Å; A715-D717 PolarHBondContact O-N 3.47Å; A715-I718 HydrophobicContact CB-CB 4.19Å; A715-I718 HydrophobicContact CB-CD1 3.88Å; A715-I718 HydrophobicContact CB-CG1 4.39Å; A715-I718 PolarHBondContact O-N 2.97Å; A715-V719 WeakPolarHBondContact O-CG2 3.45Å; A715-V719 PolarHBondContact O-N 2.71Å
716V86.3Confident89.4Confident16 Ų1644.2 Ų44.210%0.09721%0.212CC..Hα-helixtrans-63.2-41.2178.4179.20000111.1L706 A709 L714 I718 V719 L720L706-V716 HydrophobicContact CD1-CG1 4.36Å; A709-V716 HydrophobicContact CB-CG2 3.96Å; L714-V716 VanDerWaalsContact C-N 3.25Å; L714-V716 PolarHBondContact O-N 2.78Å; L714-V716 VanDerWaalsContact O-N 3.11Å; V716-I718 PolarHBondContact O-N 2.82Å; V716-V719 PolarHBondContact O-N 2.87Å; V716-L720 HydrophobicContact CG1-CD1 4.14Å; V716-L720 HydrophobicContact CG1-CG 4.36Å; V716-L720 VanDerWaalsContact O-CG 3.28Å; V716-L720 WeakPolarHBondContact O-CG 3.1Å; V716-L720 PolarHBondContact O-N 3.11Å
717D87.6Confident89.3Confident36 Ų3644.8 Ų44.819%0.19322%0.215CC..Hα-helixtrans-56.7-45.1173.454.9-17.8000112.4A715 S721 L748 R756A715-D717 VanDerWaalsContact C-N 3.33Å; A715-D717 WeakPolarHBondContact CA-OD1 3.43Å; A715-D717 PolarHBondContact O-N 3.47Å; D717-S721 VanDerWaalsContact O-CB 3.29Å; D717-S721 WeakPolarHBondContact O-CB 3.35Å; D717-S721 PolarHBondContact O-N 2.55Å; D717-S721 PolarHBondContact O-OG 3.39Å; D717-L748 HydrophobicContact CB-CD1 4.36Å; D717-R756 IonicContact OD2-NE 3.57Å; D717-R756 PolarHBondContact OD2-NE 3.16Å
718I89.3Confident89.1Confident0 Ų046.3 Ų46.30%022%0.22CC..Hα-helixtrans-62.5-48.5176.3-64.6171.5000110.4F690 M694 L697 A715 V716 L720 S721 M722 L753 R756 I757 E760F690-I718 HydrophobicContact CE2-CD1 3.66Å; F690-I718 HydrophobicContact CZ-CD1 3.96Å; M694-I718 HydrophobicContact SD-CG2 4.36Å; L697-I718 HydrophobicContact CD1-CG2 4.44Å; A715-I718 HydrophobicContact CB-CB 4.19Å; A715-I718 HydrophobicContact CB-CD1 3.88Å; A715-I718 HydrophobicContact CB-CG1 4.39Å; A715-I718 PolarHBondContact O-N 2.97Å; V716-I718 PolarHBondContact O-N 2.82Å; I718-L720 PolarHBondContact O-N 2.87Å; I718-S721 PolarHBondContact O-N 3.2Å; I718-M722 HydrophobicContact CG2-CG 4.43Å; I718-M722 HydrophobicContact CG2-SD 4.12Å; I718-M722 WeakPolarHBondContact O-CB 3.4Å; I718-M722 WeakPolarHBondContact O-CG 3.42Å; I718-M722 PolarHBondContact O-N 3Å; I718-L753 HydrophobicContact CB-CD1 4.26Å; I718-L753 HydrophobicContact CG1-CD1 4.27Å; I718-L753 HydrophobicContact CG2-CD1 3.99Å; I718-R756 HydrophobicContact CD1-CB 4.39Å; I718-R756 HydrophobicContact CD1-CG 3.87Å; I718-R756 HydrophobicContact CG1-CB 4.37Å; I718-R756 HydrophobicContact CG1-CG 3.88Å; I718-I757 HydrophobicContact CD1-CG1 3.97Å; I718-I757 HydrophobicContact CG1-CG1 4.39Å; I718-I757 HydrophobicContact CG2-CD1 4.22Å; I718-I757 HydrophobicContact CG2-CG1 3.91Å; I718-E760 HydrophobicContact CD1-CG 4.01Å
719V90Very high89Confident0 Ų054 Ų540%026%0.255CS..Hα-helixtrans-59.5-46.1179.7170.60000111.3I693 L697 A705 L706 A709 A715 V716 R723 F739I693-V719 HydrophobicContact CG2-CG2 3.51Å; L697-V719 HydrophobicContact CD1-CG2 3.96Å; L697-V719 HydrophobicContact CD2-CB 4.35Å; L697-V719 HydrophobicContact CD2-CG1 4.14Å; L697-V719 HydrophobicContact CD2-CG2 4.15Å; L697-V719 HydrophobicContact CG-CG2 4.39Å; A705-V719 HydrophobicContact CB-CG1 4.45Å; A705-V719 HydrophobicContact CB-CG2 4.41Å; L706-V719 HydrophobicContact CB-CG1 4.01Å; L706-V719 HydrophobicContact CD1-CG1 4.03Å; A709-V719 HydrophobicContact CB-CG2 3.92Å; A715-V719 WeakPolarHBondContact O-CG2 3.45Å; A715-V719 PolarHBondContact O-N 2.71Å; V716-V719 PolarHBondContact O-N 2.87Å; V719-R723 WeakPolarHBondContact O-CB 3.48Å; V719-R723 PolarHBondContact O-N 2.82Å; V719-R723 VanDerWaalsContact O-N 3.08Å; V719-F739 HydrophobicContact CG1-CE1 3.93Å; V719-F739 HydrophobicContact CG1-CZ 3.95Å
720L88.8Confident88.9Confident28 Ų2857.6 Ų57.615%0.14728%0.275CS..Hα-helixtrans-65.3-42.2178.7-68.6-179.8000111.8L706 V716 I718 R723 H724 F739 Q742 Q745L706-L720 HydrophobicContact CD1-CD2 4.47Å; V716-L720 HydrophobicContact CG1-CD1 4.14Å; V716-L720 HydrophobicContact CG1-CG 4.36Å; V716-L720 VanDerWaalsContact O-CG 3.28Å; V716-L720 WeakPolarHBondContact O-CG 3.1Å; V716-L720 PolarHBondContact O-N 3.11Å; I718-L720 PolarHBondContact O-N 2.87Å; L720-R723 PolarHBondContact O-N 3Å; L720-H724 WeakPolarHBondContact O-CB 3.4Å; L720-H724 PolarHBondContact O-N 3.45Å; L720-F739 HydrophobicContact CD2-CD1 3.47Å; L720-F739 VanDerWaalsContact CD2-CD1 3.47Å; L720-F739 HydrophobicContact CD2-CE1 3.86Å; L720-Q742 HydrophobicContact CD1-CB 4.39Å; L720-Q742 HydrophobicContact CD2-CB 4.36Å; L720-Q742 HydrophobicContact CD2-CG 4.22Å; L720-Q745 HydrophobicContact CD1-CB 4.13Å; L720-Q745 HydrophobicContact CD1-CG 4.44Å
721S89.1Confident88.9Confident0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-67.1-46.3-179.8-56.50000111.6D717 I718 R723 H724 D725 L748D717-S721 VanDerWaalsContact O-CB 3.29Å; D717-S721 WeakPolarHBondContact O-CB 3.35Å; D717-S721 PolarHBondContact O-N 2.55Å; D717-S721 PolarHBondContact O-OG 3.39Å; I718-S721 PolarHBondContact O-N 3.2Å; S721-R723 VanDerWaalsContact C-N 3.31Å; S721-R723 PolarHBondContact O-N 3.5Å; S721-H724 PolarHBondContact O-N 2.74Å; S721-D725 WeakPolarHBondContact O-CB 3.47Å; S721-D725 PolarHBondContact O-N 3.22Å; S721-L748 PolarHBondContact OG-N 3.3Å
722M89.8Confident88.8Confident40 Ų4062.8 Ų62.820%0.19730%0.297CS..Hα-helixtrans-62-37.5175.8-73.8-172.270.900112.5M694 L697 W702 I718 Y726 L753M694-M722 HydrophobicContact CE-SD 4.18Å; M694-M722 HydrophobicContact SD-SD 4.42Å; L697-M722 HydrophobicContact CB-CE 4.23Å; L697-M722 HydrophobicContact CB-SD 4.34Å; L697-M722 HydrophobicContact CD1-SD 3.71Å; L697-M722 HydrophobicContact CG-SD 4.48Å; W702-M722 HydrophobicContact CH2-CB 4.39Å; W702-M722 HydrophobicContact CZ3-CB 4.06Å; I718-M722 HydrophobicContact CG2-CG 4.43Å; I718-M722 HydrophobicContact CG2-SD 4.12Å; I718-M722 WeakPolarHBondContact O-CB 3.4Å; I718-M722 WeakPolarHBondContact O-CG 3.42Å; I718-M722 PolarHBondContact O-N 3Å; M722-Y726 VanDerWaalsContact O-CB 3.3Å; M722-Y726 WeakPolarHBondContact O-CB 3.36Å; M722-Y726 PolarHBondContact O-N 3.27Å; M722-L753 HydrophobicContact CG-CD1 4.33Å; M722-L753 HydrophobicContact CG-CD2 3.87Å
723R91Very high88.7Confident24 Ų2465.6 Ų65.69%0.09132%0.32CS..Hα-helixtrans-66.9-44.3175.1176.461.9175.6177.32.9111.5W702 V719 L720 S721 Y726 L727 E734 F739W702-R723 HydrophobicContact CD2-CB 4.5Å; W702-R723 HydrophobicContact CE3-CB 3.84Å; W702-R723 HydrophobicContact CE3-CG 4.4Å; W702-R723 HydrophobicContact CZ3-CB 3.9Å; V719-R723 WeakPolarHBondContact O-CB 3.48Å; V719-R723 PolarHBondContact O-N 2.82Å; V719-R723 VanDerWaalsContact O-N 3.08Å; L720-R723 PolarHBondContact O-N 3Å; S721-R723 VanDerWaalsContact C-N 3.31Å; S721-R723 PolarHBondContact O-N 3.5Å; R723-Y726 PolarHBondContact O-N 2.97Å; R723-L727 HydrophobicContact CG-CD1 4.28Å; R723-L727 WeakPolarHBondContact O-CG 3.31Å; R723-L727 PolarHBondContact O-N 3.45Å; R723-E734 WeakPolarHBondContact CG-OE2 3.4Å; R723-E734 IonicContact CZ-OE1 3.05Å; R723-E734 IonicContact CZ-OE2 3.95Å; R723-E734 IonicContact NE-OE1 2.76Å; R723-E734 PolarHBondContact NE-OE1 2.88Å; R723-E734 IonicContact NE-OE2 3.02Å; R723-E734 PolarHBondContact NE-OE2 2.76Å; R723-E734 IonicContact NH2-OE1 3.2Å; R723-E734 PolarHBondContact NH2-OE1 2.81Å; R723-E734 IonicContact NH2-OE2 3.68Å; R723-F739 HydrophobicContact CB-CD1 4.2Å; R723-F739 HydrophobicContact CB-CE1 3.66Å; R723-F739 HydrophobicContact CB-CZ 4.29Å; R723-F739 HydrophobicContact CG-CD1 3.8Å; R723-F739 HydrophobicContact CG-CE1 3.62Å; R723-F739 HydrophobicContact CG-CG 4.45Å; R723-F739 HydrophobicContact CG-CZ 4.14Å
724H87.6Confident88.6Confident84 Ų8460.5 Ų60.539%0.38929%0.292SS..Hα-helixtrans-60.9-47.7177.6-177.175.9000111.2L720 S721 Y726 L727 K728 T747L720-H724 WeakPolarHBondContact O-CB 3.4Å; L720-H724 PolarHBondContact O-N 3.45Å; S721-H724 PolarHBondContact O-N 2.74Å; H724-Y726 PolarHBondContact O-N 3.09Å; H724-L727 PolarHBondContact O-N 3.28Å; H724-K728 WeakPolarHBondContact O-CB 3.43Å; H724-K728 PolarHBondContact O-N 3.12Å; H724-T747 HydrophobicContact CB-CG2 3.78Å
725D89.2Confident88.6Confident43 Ų4366.7 Ų66.723%0.2332%0.32CS..Hα-helixtrans-61-43.1177.1-81.8-9.2000111.9S721 L727 K728 Q729S721-D725 WeakPolarHBondContact O-CB 3.47Å; S721-D725 PolarHBondContact O-N 3.22Å; D725-L727 PolarHBondContact O-N 2.79Å; D725-K728 PolarHBondContact O-N 2.84Å; D725-Q729 VanDerWaalsContact O-CG 3.31Å; D725-Q729 WeakPolarHBondContact O-CG 3.26Å; D725-Q729 PolarHBondContact O-N 2.84Å
726Y90.1Very high88.8Confident75 Ų7568.6 Ų68.629%0.29433%0.329SS..Hα-helixtrans-60.4-44.9175.3176.1-102.1000112.5F700 W702 M722 R723 H724 Q729 L730F700-Y726 HydrophobicContact CD1-CD2 4.18Å; F700-Y726 AromaticContact CD1-CE2 3.76Å; F700-Y726 HydrophobicContact CD1-CE2 3.76Å; F700-Y726 AromaticContact CE1-CD2 3.78Å; F700-Y726 HydrophobicContact CE1-CD2 3.78Å; F700-Y726 AromaticContact CE1-CE2 3.48Å; F700-Y726 HydrophobicContact CE1-CE2 3.48Å; F700-Y726 VanDerWaalsContact CE1-CE2 3.48Å; W702-Y726 HydrophobicContact CH2-CG 4.2Å; W702-Y726 AromaticContact CZ2-CD1 3.67Å; W702-Y726 HydrophobicContact CZ2-CD1 3.67Å; W702-Y726 HydrophobicContact CZ2-CD2 4.03Å; W702-Y726 HydrophobicContact CZ2-CE1 4.25Å; W702-Y726 AromaticContact CZ2-CG 3.53Å; W702-Y726 HydrophobicContact CZ2-CG 3.53Å; W702-Y726 AromaticContact NE1-CE1 3.97Å; M722-Y726 VanDerWaalsContact O-CB 3.3Å; M722-Y726 WeakPolarHBondContact O-CB 3.36Å; M722-Y726 PolarHBondContact O-N 3.27Å; R723-Y726 PolarHBondContact O-N 2.97Å; H724-Y726 PolarHBondContact O-N 3.09Å; Y726-Q729 PolarHBondContact O-N 2.94Å; Y726-L730 HydrophobicContact CD1-CD1 4.14Å; Y726-L730 HydrophobicContact CD2-CD1 4.46Å; Y726-L730 HydrophobicContact CE1-CD1 3.48Å; Y726-L730 VanDerWaalsContact CE1-CD1 3.48Å; Y726-L730 HydrophobicContact CE2-CD1 3.87Å; Y726-L730 PolarHBondContact O-N 3.06Å; Y726-L730 VanDerWaalsContact O-N 3.15Å; Y726-L730 WeakPolarHBondContact OH-CD1 3.29Å
727L90Very high88.8Confident14 Ų1474.8 Ų74.87%0.07336%0.357CS..Hα-helixtrans-66.9-39177.7-75.1176.6000112.4R723 H724 D725 L730 N731 R732 E734R723-L727 HydrophobicContact CG-CD1 4.28Å; R723-L727 WeakPolarHBondContact O-CG 3.31Å; R723-L727 PolarHBondContact O-N 3.45Å; H724-L727 PolarHBondContact O-N 3.28Å; D725-L727 PolarHBondContact O-N 2.79Å; L727-L730 CarbonylContact O-C 3.57Å; L727-L730 PolarHBondContact O-N 3.1Å; L727-N731 PolarHBondContact O-N 3.36Å; L727-R732 HydrophobicContact CD2-CB 3.92Å; L727-R732 PolarHBondContact O-N 2.92Å; L727-E734 HydrophobicContact CD1-CB 3.84Å; L727-E734 HydrophobicContact CD1-CG 4.37Å; L727-E734 VanDerWaalsContact CD1-OE2 3.3Å; L727-E734 WeakPolarHBondContact CD1-OE2 3.38Å
728K89Confident88.7Confident139 Ų13974.8 Ų74.860%0.60436%0.359SS*.Hα-helixtrans-62.4-42.6175.2-173179-180-1790111.3H724 D725 L730 N731H724-K728 WeakPolarHBondContact O-CB 3.43Å; H724-K728 PolarHBondContact O-N 3.12Å; D725-K728 PolarHBondContact O-N 2.84Å; K728-L730 VanDerWaalsContact C-N 3.29Å; K728-L730 PolarHBondContact O-N 2.92Å; K728-N731 PolarHBondContact O-N 3.47Å; K728-N731 PolarHBondContact O-OD1 3.25Å
729Q89.2Confident88.5Confident163 Ų16375.5 Ų75.576%0.76236%0.362SS*.Hα-helixtrans-62.9-34.3174.9-73.7177.16.100112.7D725 Y726D725-Q729 VanDerWaalsContact O-CG 3.31Å; D725-Q729 WeakPolarHBondContact O-CG 3.26Å; D725-Q729 PolarHBondContact O-N 2.84Å; Y726-Q729 PolarHBondContact O-N 2.94Å
730L89.9Confident88.2Confident77 Ų7780.5 Ų80.540%0.40339%0.389SS..THydrogen-bonded Turntrans-87.6-1.5177.4-68.5177.9000114.3Y726 L727 K728 R732Y726-L730 HydrophobicContact CD1-CD1 4.14Å; Y726-L730 HydrophobicContact CD2-CD1 4.46Å; Y726-L730 HydrophobicContact CE1-CD1 3.48Å; Y726-L730 VanDerWaalsContact CE1-CD1 3.48Å; Y726-L730 HydrophobicContact CE2-CD1 3.87Å; Y726-L730 PolarHBondContact O-N 3.06Å; Y726-L730 VanDerWaalsContact O-N 3.15Å; Y726-L730 WeakPolarHBondContact OH-CD1 3.29Å; L727-L730 CarbonylContact O-C 3.57Å; L727-L730 PolarHBondContact O-N 3.1Å; K728-L730 VanDerWaalsContact C-N 3.29Å; K728-L730 PolarHBondContact O-N 2.92Å; L730-R732 VanDerWaalsContact C-N 3.26Å; L730-R732 HydrophobicContact CB-CG 4.14Å; L730-R732 PolarHBondContact O-N 2.89Å
731N90.1Very high87.9Confident155 Ų15583.2 Ų83.283%0.82941%0.407SS*.THydrogen-bonded Turntrans50.142.9-170.4-71.4-34.5000113.1L727 K728L727-N731 PolarHBondContact O-N 3.36Å; K728-N731 PolarHBondContact O-N 3.47Å; K728-N731 PolarHBondContact O-OD1 3.25Å
732R89.9Confident87.5Confident168 Ų16885.2 Ų85.263%0.63442%0.416SS*.  trans-114.6155.4178.9-68.4-175.1-175.6-171.71.1111.7L727 L730L727-R732 HydrophobicContact CD2-CB 3.92Å; L727-R732 PolarHBondContact O-N 2.92Å; L730-R732 VanDerWaalsContact C-N 3.26Å; L730-R732 HydrophobicContact CB-CG 4.14Å; L730-R732 PolarHBondContact O-N 2.89Å
733V87.9Confident86.9Confident124 Ų12487.2 Ų87.275%0.75243%0.433SS*.  trans-93.1158174.8-162.10000109.4E735V733-E735 PolarHBondContact O-N 2.91Å
734E87Confident85.9Confident40 Ų4096.6 Ų96.619%0.18747%0.474CS..  trans-72.4116.9178.1-175.657.9-90.300111.6R723 L727 L736 F739 N740R723-E734 WeakPolarHBondContact CG-OE2 3.4Å; R723-E734 IonicContact CZ-OE1 3.05Å; R723-E734 IonicContact CZ-OE2 3.95Å; R723-E734 IonicContact NE-OE1 2.76Å; R723-E734 PolarHBondContact NE-OE1 2.88Å; R723-E734 IonicContact NE-OE2 3.02Å; R723-E734 PolarHBondContact NE-OE2 2.76Å; R723-E734 IonicContact NH2-OE1 3.2Å; R723-E734 PolarHBondContact NH2-OE1 2.81Å; R723-E734 IonicContact NH2-OE2 3.68Å; L727-E734 HydrophobicContact CD1-CB 3.84Å; L727-E734 HydrophobicContact CD1-CG 4.37Å; L727-E734 VanDerWaalsContact CD1-OE2 3.3Å; L727-E734 WeakPolarHBondContact CD1-OE2 3.38Å; E734-L736 VanDerWaalsContact OE1-CB 3.31Å; E734-L736 WeakPolarHBondContact OE1-CB 3.46Å; E734-L736 PolarHBondContact OE1-N 3.03Å; E734-F739 HydrophobicContact CG-CB 3.82Å; E734-N740 PolarHBondContact O-ND2 3.17Å
735E86Confident85Confident169 Ų16996.9 Ų96.979%0.7948%0.475SS*.  trans-103.8-17.1179.8-66.6177.6174.300112.2V733 H737V733-E735 PolarHBondContact O-N 2.91Å; E735-H737 PolarHBondContact O-N 2.91Å
736L87Confident84.1Confident45 Ų4599.8 Ų99.824%0.23650%0.499CS..  trans-75.9117.9-177-65.5176.9000110.9W702 E734 S738 F739 N740W702-L736 HydrophobicContact CB-CD1 4.04Å; E734-L736 VanDerWaalsContact OE1-CB 3.31Å; E734-L736 WeakPolarHBondContact OE1-CB 3.46Å; E734-L736 PolarHBondContact OE1-N 3.03Å; L736-S738 PolarHBondContact O-N 2.66Å; L736-F739 HydrophobicContact CB-CB 4.47Å; L736-F739 HydrophobicContact CB-CD2 3.82Å; L736-F739 HydrophobicContact CD1-CD2 3.89Å; L736-F739 HydrophobicContact CD1-CE2 3.94Å; L736-F739 PolarHBondContact O-N 3.03Å; L736-F739 VanDerWaalsContact O-N 3.15Å; L736-N740 PolarHBondContact O-N 2.86Å; L736-N740 VanDerWaalsContact O-N 3.14Å
737H86.1Confident83.4Confident147 Ų14799.2 Ų99.268%0.68150%0.503SS*.Hα-helixtrans-55-39.7178.1-174.9-55000112.8E735 F739 N740 T741E735-H737 PolarHBondContact O-N 2.91Å; H737-F739 VanDerWaalsContact C-N 3.27Å; H737-F739 PolarHBondContact O-N 3.45Å; H737-N740 PolarHBondContact O-N 2.94Å; H737-T741 WeakPolarHBondContact CE1-CG2 3.1Å; H737-T741 WeakPolarHBondContact ND1-CG2 3.09Å; H737-T741 PolarHBondContact O-N 3.31Å; H737-T741 PolarHBondContact O-OG1 3.49Å; H737-T741 VanDerWaalsContact O-OG1 3.08Å
738S84.8Confident83Confident36 Ų3699.9 Ų99.925%0.25251%0.507SS..Hα-helixtrans-57.4-38.3179.850.70000112.8N703 L736 T741 Q742N703-S738 PolarHBondContact OD1-OG 3.36Å; L736-S738 PolarHBondContact O-N 2.66Å; S738-T741 PolarHBondContact O-OG1 3.3Å; S738-Q742 WeakPolarHBondContact O-CG 3.22Å
739F85.6Confident82.6Confident14 Ų1498.5 Ų98.56%0.06151%0.506CS..Hα-helixtrans-78.1-39.9177.2-76.4-99.2000111.5W702 L706 V719 L720 R723 E734 L736 H737 T741 Q742W702-F739 HydrophobicContact CB-CE2 3.82Å; W702-F739 HydrophobicContact CB-CZ 3.88Å; L706-F739 HydrophobicContact CB-CE2 4.1Å; L706-F739 HydrophobicContact CB-CZ 3.89Å; L706-F739 HydrophobicContact CD2-CD1 4.11Å; L706-F739 HydrophobicContact CD2-CD2 3.72Å; L706-F739 HydrophobicContact CD2-CE1 4.1Å; L706-F739 HydrophobicContact CD2-CE2 3.71Å; L706-F739 HydrophobicContact CD2-CG 3.91Å; L706-F739 HydrophobicContact CD2-CZ 3.9Å; L706-F739 HydrophobicContact CG-CZ 4.38Å; V719-F739 HydrophobicContact CG1-CE1 3.93Å; V719-F739 HydrophobicContact CG1-CZ 3.95Å; L720-F739 HydrophobicContact CD2-CD1 3.47Å; L720-F739 VanDerWaalsContact CD2-CD1 3.47Å; L720-F739 HydrophobicContact CD2-CE1 3.86Å; R723-F739 HydrophobicContact CB-CD1 4.2Å; R723-F739 HydrophobicContact CB-CE1 3.66Å; R723-F739 HydrophobicContact CB-CZ 4.29Å; R723-F739 HydrophobicContact CG-CD1 3.8Å; R723-F739 HydrophobicContact CG-CE1 3.62Å; R723-F739 HydrophobicContact CG-CG 4.45Å; R723-F739 HydrophobicContact CG-CZ 4.14Å; E734-F739 HydrophobicContact CG-CB 3.82Å; L736-F739 HydrophobicContact CB-CB 4.47Å; L736-F739 HydrophobicContact CB-CD2 3.82Å; L736-F739 HydrophobicContact CD1-CD2 3.89Å; L736-F739 HydrophobicContact CD1-CE2 3.94Å; L736-F739 PolarHBondContact O-N 3.03Å; L736-F739 VanDerWaalsContact O-N 3.15Å; H737-F739 VanDerWaalsContact C-N 3.27Å; H737-F739 PolarHBondContact O-N 3.45Å; F739-T741 PolarHBondContact O-N 3.25Å; F739-Q742 WeakPolarHBondContact O-CB 3.42Å; F739-Q742 PolarHBondContact O-N 3.35Å; F739-Q742 VanDerWaalsContact O-N 3.08Å
740N84Confident82.3Confident106 Ų10693.9 Ų93.957%0.56750%0.496SS*.Hα-helixtrans-63.7-27176.3-75.7-34.8000113.4E734 L736 H737 Q742E734-N740 PolarHBondContact O-ND2 3.17Å; L736-N740 PolarHBondContact O-N 2.86Å; L736-N740 VanDerWaalsContact O-N 3.14Å; H737-N740 PolarHBondContact O-N 2.94Å; N740-Q742 VanDerWaalsContact C-N 3.35Å
741T83.3Confident82Confident85 Ų8593.9 Ų93.952%0.52150%0.503SS..THydrogen-bonded Turntrans-80.2-11.6174.645.70000114.7H737 S738 F739H737-T741 WeakPolarHBondContact CE1-CG2 3.1Å; H737-T741 WeakPolarHBondContact ND1-CG2 3.09Å; H737-T741 PolarHBondContact O-N 3.31Å; H737-T741 PolarHBondContact O-OG1 3.49Å; H737-T741 VanDerWaalsContact O-OG1 3.08Å; S738-T741 PolarHBondContact O-OG1 3.3Å; F739-T741 PolarHBondContact O-N 3.25Å
742Q80.8Confident81.8Confident41 Ų4191.1 Ų91.119%0.19249%0.485CS..SBendtrans-69.8144.9178.7-66.9-57-37.600110.7L706 N710 L720 S738 F739 N740 K744L706-Q742 HydrophobicContact CD1-CG 4.14Å; L706-Q742 HydrophobicContact CD2-CG 4Å; N710-Q742 PolarHBondContact ND2-NE2 3.13Å; L720-Q742 HydrophobicContact CD1-CB 4.39Å; L720-Q742 HydrophobicContact CD2-CB 4.36Å; L720-Q742 HydrophobicContact CD2-CG 4.22Å; S738-Q742 WeakPolarHBondContact O-CG 3.22Å; F739-Q742 WeakPolarHBondContact O-CB 3.42Å; F739-Q742 PolarHBondContact O-N 3.35Å; F739-Q742 VanDerWaalsContact O-N 3.08Å; N740-Q742 VanDerWaalsContact C-N 3.35Å; Q742-K744 PolarHBondContact O-N 3.48Å
743P77.4Confident81.7Confident83 Ų8383.9 Ų83.954%0.53946%0.459SS..  trans-56.4139.1171.423.9-31.2000109.4Q745P743-Q745 PolarHBondContact O-N 2.89Å
744K69.1Low81.6Confident221 Ų22185 Ų8596%0.96145%0.453SS*.  trans-58.6104.7176.8-73.8-173.5178-177.10109.3Q742Q742-K744 PolarHBondContact O-N 3.48Å
745Q68.1Low81.7Confident89 Ų8989.1 Ų89.142%0.41647%0.472SS..PPolyproline II helixtrans-101.5148.6170.4-71.5178.9-6.200108.9L720 P743 T747L720-Q745 HydrophobicContact CD1-CB 4.13Å; L720-Q745 HydrophobicContact CD1-CG 4.44Å; P743-Q745 PolarHBondContact O-N 2.89Å; Q745-T747 PolarHBondContact O-N 2.89Å
746S71.5Confident81.8Confident104 Ų10484.5 Ų84.573%0.72745%0.448SS*.PPolyproline II helixtrans-65.5128.9169.746.20000109.2
747T75.3Confident81.9Confident63 Ų6383.7 Ų83.739%0.38744%0.443SS..PPolyproline II helixtrans-70.1132.2170.349.50000109.1H724 Q745H724-T747 HydrophobicContact CB-CG2 3.78Å; Q745-T747 PolarHBondContact O-N 2.89Å
748L81.1Confident82Confident28 Ų2883 Ų8315%0.14744%0.44CS..PPolyproline II helixtrans-71.9141176.1-63.2168.1000109.8D717 S721 E752 L753 R756D717-L748 HydrophobicContact CB-CD1 4.36Å; S721-L748 PolarHBondContact OG-N 3.3Å; L748-E752 HydrophobicContact CB-CB 4.11Å; L748-E752 HydrophobicContact CD2-CB 4.11Å; L748-L753 HydrophobicContact CB-CB 4.25Å; L748-L753 HydrophobicContact CD1-CD1 4.17Å; L748-R756 HydrophobicContact CD1-CB 4.18Å; L748-R756 HydrophobicContact CD1-CG 4.16Å
749D81.6Confident82.3Confident110 Ų11085.8 Ų85.859%0.58845%0.449SS*.PPolyproline II helixtrans-71.1162.2169.7-85-16.4000110.9S751 E752 L753D749-S751 PolarHBondContact O-N 2.64Å; D749-S751 VanDerWaalsContact O-N 3.09Å; D749-E752 HydrophobicContact CB-CG 4.45Å; D749-E752 PolarHBondContact N-OE2 3.03Å; D749-E752 PolarHBondContact O-N 3.17Å; D749-L753 WeakPolarHBondContact O-CB 3.45Å; D749-L753 PolarHBondContact O-N 2.89Å
750A81.6Confident82.4Confident66 Ų6685.9 Ų85.955%0.54545%0.45SS..Hα-helixtrans-58.4-29.2-172.400000114.9K754A750-K754 WeakPolarHBondContact O-CG 3.44Å
751S84.4Confident82.5Confident78 Ų7884.3 Ų84.355%0.54544%0.437SS..Hα-helixtrans-75.4-46.1173.149.20000111.9D749 L753 K754 E755D749-S751 PolarHBondContact O-N 2.64Å; D749-S751 VanDerWaalsContact O-N 3.09Å; S751-L753 VanDerWaalsContact C-N 3.3Å; S751-L753 PolarHBondContact O-N 3.41Å; S751-K754 PolarHBondContact O-N 3.08Å; S751-E755 PolarHBondContact O-N 3.26Å; S751-E755 VanDerWaalsContact O-N 3.14Å
752E86.4Confident82.7Confident96 Ų9685.1 Ų85.145%0.44944%0.438SS..Hα-helixtrans-62.3-39.2178.8-61.6-179.715900111.2L748 D749 K754 E755 R756L748-E752 HydrophobicContact CB-CB 4.11Å; L748-E752 HydrophobicContact CD2-CB 4.11Å; D749-E752 HydrophobicContact CB-CG 4.45Å; D749-E752 PolarHBondContact N-OE2 3.03Å; D749-E752 PolarHBondContact O-N 3.17Å; E752-K754 PolarHBondContact O-N 3.04Å; E752-E755 PolarHBondContact O-N 2.9Å; E752-R756 VanDerWaalsContact O-CB 3.26Å; E752-R756 WeakPolarHBondContact O-CB 3.24Å; E752-R756 PolarHBondContact O-N 3.25Å
753L86.1Confident82.9Confident17 Ų1786.4 Ų86.49%0.08945%0.446CS..Hα-helixtrans-61.3-42.5176.8-175.565.7000112I718 M722 L748 D749 S751 I757I718-L753 HydrophobicContact CB-CD1 4.26Å; I718-L753 HydrophobicContact CG1-CD1 4.27Å; I718-L753 HydrophobicContact CG2-CD1 3.99Å; M722-L753 HydrophobicContact CG-CD1 4.33Å; M722-L753 HydrophobicContact CG-CD2 3.87Å; L748-L753 HydrophobicContact CB-CB 4.25Å; L748-L753 HydrophobicContact CD1-CD1 4.17Å; D749-L753 WeakPolarHBondContact O-CB 3.45Å; D749-L753 PolarHBondContact O-N 2.89Å; S751-L753 VanDerWaalsContact C-N 3.3Å; S751-L753 PolarHBondContact O-N 3.41Å; L753-I757 HydrophobicContact CD1-CD1 4.32Å; L753-I757 HydrophobicContact CG-CD1 4.03Å; L753-I757 WeakPolarHBondContact O-CB 3.41Å; L753-I757 WeakPolarHBondContact O-CD1 3.16Å; L753-I757 WeakPolarHBondContact O-CG1 3.34Å; L753-I757 PolarHBondContact O-N 3.06Å
754K86.9Confident83.2Confident147 Ų14783.1 Ų83.164%0.63942%0.423SS*.Hα-helixtrans-65.5-47.5178.1-76.6-179.7179.3-176.20111.6A750 S751 E752 R756 I757 E758A750-K754 WeakPolarHBondContact O-CG 3.44Å; S751-K754 PolarHBondContact O-N 3.08Å; E752-K754 PolarHBondContact O-N 3.04Å; K754-R756 VanDerWaalsContact C-N 3.32Å; K754-R756 PolarHBondContact O-N 2.68Å; K754-I757 PolarHBondContact O-N 2.98Å; K754-E758 PolarHBondContact O-N 3.37Å
755E88.2Confident83.8Confident126 Ų12678.6 Ų78.659%0.58940%0.404SS*.Hα-helixtrans-59.9-44.6177.4-71.2178.8179.100110.9S751 E752 I757 E758 E759S751-E755 PolarHBondContact O-N 3.26Å; S751-E755 VanDerWaalsContact O-N 3.14Å; E752-E755 PolarHBondContact O-N 2.9Å; E755-I757 PolarHBondContact O-N 3.4Å; E755-E758 PolarHBondContact O-N 2.79Å; E755-E759 WeakPolarHBondContact O-CG 3.42Å; E755-E759 PolarHBondContact O-N 3.22Å
756R88.2Confident84.5Confident72 Ų7280.2 Ų80.227%0.27241%0.409SS..Hα-helixtrans-61.6-40.6177.7-163.875.2-177.1112.519.7112.8D717 I718 L748 E752 K754 E759 E760D717-R756 IonicContact OD2-NE 3.57Å; D717-R756 PolarHBondContact OD2-NE 3.16Å; I718-R756 HydrophobicContact CD1-CB 4.39Å; I718-R756 HydrophobicContact CD1-CG 3.87Å; I718-R756 HydrophobicContact CG1-CB 4.37Å; I718-R756 HydrophobicContact CG1-CG 3.88Å; L748-R756 HydrophobicContact CD1-CB 4.18Å; L748-R756 HydrophobicContact CD1-CG 4.16Å; E752-R756 VanDerWaalsContact O-CB 3.26Å; E752-R756 WeakPolarHBondContact O-CB 3.24Å; E752-R756 PolarHBondContact O-N 3.25Å; K754-R756 VanDerWaalsContact C-N 3.32Å; K754-R756 PolarHBondContact O-N 2.68Å; R756-E759 IonicContact CZ-OE2 3.98Å; R756-E759 IonicContact NH1-OE2 3.77Å; R756-E759 PolarHBondContact NH1-OE2 3.4Å; R756-E759 PolarHBondContact O-N 2.88Å; R756-E760 IonicContact CZ-OE1 3.38Å; R756-E760 IonicContact NH1-OE1 2.89Å; R756-E760 IonicContact NH2-OE1 2.77Å; R756-E760 PolarHBondContact NH2-OE1 3.18Å; R756-E760 WeakPolarHBondContact O-CG 3.3Å; R756-E760 PolarHBondContact O-N 2.93Å; R756-E760 VanDerWaalsContact O-N 3.08Å
757I89.6Confident84.8Confident28 Ų2879.9 Ų79.914%0.14440%0.396CS..Hα-helixtrans-64.4-42.9176.1-72165.9000110.9F690 M694 I718 L753 K754 E755 E760 Y761F690-I757 HydrophobicContact CE1-CG2 4.25Å; F690-I757 HydrophobicContact CZ-CB 4.36Å; F690-I757 HydrophobicContact CZ-CG1 4.32Å; F690-I757 HydrophobicContact CZ-CG2 4.09Å; M694-I757 HydrophobicContact CE-CD1 4.3Å; I718-I757 HydrophobicContact CD1-CG1 3.97Å; I718-I757 HydrophobicContact CG1-CG1 4.39Å; I718-I757 HydrophobicContact CG2-CD1 4.22Å; I718-I757 HydrophobicContact CG2-CG1 3.91Å; L753-I757 HydrophobicContact CD1-CD1 4.32Å; L753-I757 HydrophobicContact CG-CD1 4.03Å; L753-I757 WeakPolarHBondContact O-CB 3.41Å; L753-I757 WeakPolarHBondContact O-CD1 3.16Å; L753-I757 WeakPolarHBondContact O-CG1 3.34Å; L753-I757 PolarHBondContact O-N 3.06Å; K754-I757 PolarHBondContact O-N 2.98Å; E755-I757 PolarHBondContact O-N 3.4Å; I757-E760 PolarHBondContact O-N 3.34Å; I757-Y761 HydrophobicContact CG2-CD2 3.8Å; I757-Y761 HydrophobicContact CG2-CE2 3.57Å; I757-Y761 VanDerWaalsContact O-CD2 3.24Å; I757-Y761 WeakPolarHBondContact O-CD2 3.36Å; I757-Y761 PolarHBondContact O-N 2.78Å; I757-Y761 VanDerWaalsContact O-N 3.11Å
758E89Confident84.8Confident132 Ų13279.4 Ų79.462%0.61739%0.391SS*.Hα-helixtrans-64.2-41176.8-72.1-177.7-176.400112.1K754 E755 Y761 L762K754-E758 PolarHBondContact O-N 3.37Å; E755-E758 PolarHBondContact O-N 2.79Å; E758-Y761 PolarHBondContact O-N 3.36Å; E758-L762 WeakPolarHBondContact O-CG 3.19Å; E758-L762 PolarHBondContact O-N 2.88Å
759E89.2Confident84.5Confident95 Ų9583.5 Ų83.544%0.44441%0.409SS..Hα-helixtrans-58.4-46.1174-76.2-176.3166.800112.3E755 R756 L762 N763E755-E759 WeakPolarHBondContact O-CG 3.42Å; E755-E759 PolarHBondContact O-N 3.22Å; R756-E759 IonicContact CZ-OE2 3.98Å; R756-E759 IonicContact NH1-OE2 3.77Å; R756-E759 PolarHBondContact NH1-OE2 3.4Å; R756-E759 PolarHBondContact O-N 2.88Å; E759-L762 WeakPolarHBondContact O-CB 3.4Å; E759-L762 PolarHBondContact O-N 3.29Å; E759-N763 VanDerWaalsContact O-CG 3.26Å; E759-N763 PolarHBondContact O-N 3.14Å; E759-N763 PolarHBondContact O-ND2 3.21Å
760E88.4Confident84.2Confident16 Ų1684.5 Ų84.58%0.07541%0.41CS..Hα-helixtrans-67.3-37.1-180-70.3-58.2160.700112.2F690 L714 I718 R756 I757 L762 N763 E764F690-E760 HydrophobicContact CD1-CB 3.83Å; F690-E760 HydrophobicContact CD2-CB 3.8Å; F690-E760 HydrophobicContact CD2-CG 4.3Å; F690-E760 HydrophobicContact CE1-CB 3.69Å; F690-E760 HydrophobicContact CE2-CB 3.68Å; F690-E760 HydrophobicContact CE2-CG 4.08Å; F690-E760 HydrophobicContact CG-CB 3.89Å; F690-E760 HydrophobicContact CZ-CB 3.63Å; F690-E760 HydrophobicContact CZ-CG 4.36Å; L714-E760 WeakPolarHBondContact CD1-OE2 3.17Å; I718-E760 HydrophobicContact CD1-CG 4.01Å; R756-E760 IonicContact CZ-OE1 3.38Å; R756-E760 IonicContact NH1-OE1 2.89Å; R756-E760 IonicContact NH2-OE1 2.77Å; R756-E760 PolarHBondContact NH2-OE1 3.18Å; R756-E760 WeakPolarHBondContact O-CG 3.3Å; R756-E760 PolarHBondContact O-N 2.93Å; R756-E760 VanDerWaalsContact O-N 3.08Å; I757-E760 PolarHBondContact O-N 3.34Å; E760-L762 VanDerWaalsContact C-N 3.32Å; E760-L762 PolarHBondContact O-N 3Å; E760-N763 PolarHBondContact O-N 2.83Å; E760-E764 WeakPolarHBondContact O-CB 3.4Å; E760-E764 PolarHBondContact O-N 2.97Å
761Y86.8Confident83.4Confident73 Ų7385.1 Ų85.129%0.28640%0.404SS..Hα-helixtrans-63.7-36.6171.1-81.1-57.3000112.8F690 R691 I757 E758 K765F690-Y761 AromaticContact CD1-CD1 3.77Å; F690-Y761 HydrophobicContact CD1-CD1 3.77Å; F690-Y761 HydrophobicContact CD1-CD2 4.35Å; F690-Y761 AromaticContact CD1-CE1 3.77Å; F690-Y761 HydrophobicContact CD1-CE1 3.77Å; F690-Y761 HydrophobicContact CD1-CE2 4.36Å; F690-Y761 HydrophobicContact CD1-CG 4.06Å; F690-Y761 AromaticContact CE1-CD1 3.94Å; F690-Y761 HydrophobicContact CE1-CD1 3.94Å; F690-Y761 AromaticContact CE1-CD2 3.68Å; F690-Y761 HydrophobicContact CE1-CD2 3.68Å; F690-Y761 AromaticContact CE1-CE1 3.89Å; F690-Y761 HydrophobicContact CE1-CE1 3.89Å; F690-Y761 AromaticContact CE1-CE2 3.63Å; F690-Y761 HydrophobicContact CE1-CE2 3.63Å; F690-Y761 AromaticContact CE1-CG 3.82Å; F690-Y761 HydrophobicContact CE1-CG 3.82Å; F690-Y761 AromaticContact CE1-CZ 3.73Å; R691-Y761 HydrophobicContact CG-CE1 3.78Å; I757-Y761 HydrophobicContact CG2-CD2 3.8Å; I757-Y761 HydrophobicContact CG2-CE2 3.57Å; I757-Y761 VanDerWaalsContact O-CD2 3.24Å; I757-Y761 WeakPolarHBondContact O-CD2 3.36Å; I757-Y761 PolarHBondContact O-N 2.78Å; I757-Y761 VanDerWaalsContact O-N 3.11Å; E758-Y761 PolarHBondContact O-N 3.36Å; Y761-K765 WeakPolarHBondContact O-CB 3.42Å; Y761-K765 PolarHBondContact O-N 2.94Å; Y761-K765 VanDerWaalsContact O-N 3.09Å
762L86.7Confident82.4Confident103 Ų10386 Ų8654%0.53941%0.41SS..Hα-helixtrans-68.4-39.3174.3-73.8167.9000111.9E758 E759 E760 K765 K766E758-L762 WeakPolarHBondContact O-CG 3.19Å; E758-L762 PolarHBondContact O-N 2.88Å; E759-L762 WeakPolarHBondContact O-CB 3.4Å; E759-L762 PolarHBondContact O-N 3.29Å; E760-L762 VanDerWaalsContact C-N 3.32Å; E760-L762 PolarHBondContact O-N 3Å; L762-K765 PolarHBondContact O-N 3.12Å; L762-K766 WeakPolarHBondContact O-CG 2.9Å; L762-K766 PolarHBondContact O-N 3.25Å
763N85.8Confident81.1Confident68 Ų6887.1 Ų87.136%0.36442%0.424SS..Hα-helixtrans-65.1-46.4176-71-20.7000111.4E759 E760 K765 K766 Q767E759-N763 VanDerWaalsContact O-CG 3.26Å; E759-N763 PolarHBondContact O-N 3.14Å; E759-N763 PolarHBondContact O-ND2 3.21Å; E760-N763 PolarHBondContact O-N 2.83Å; N763-K765 VanDerWaalsContact C-N 3.27Å; N763-K765 PolarHBondContact O-N 2.93Å; N763-K766 PolarHBondContact O-N 3.24Å; N763-K766 VanDerWaalsContact O-N 3.16Å; N763-Q767 WeakPolarHBondContact O-CB 3.26Å; N763-Q767 PolarHBondContact O-N 3.49Å
764E82.9Confident79.4Confident13 Ų1393.8 Ų93.86%0.06147%0.465CS..Hα-helixtrans-57.3-43.2175.1-169.7-178.674.800110.5L688 F690 R691 E760 K766 Q767 L768L688-E764 VanDerWaalsContact C-OE2 3.31Å; L688-E764 WeakPolarHBondContact CA-OE2 3.46Å; L688-E764 HydrophobicContact CD2-CG 4.09Å; F690-E764 WeakPolarHBondContact CB-OE2 3.04Å; F690-E764 PolarHBondContact N-OE2 2.99Å; R691-E764 WeakPolarHBondContact CD-OE1 3.49Å; R691-E764 WeakPolarHBondContact CG-OE1 3.47Å; R691-E764 PolarHBondContact N-OE2 2.96Å; R691-E764 IonicContact NE-OE1 3.04Å; R691-E764 PolarHBondContact NE-OE1 3.48Å; E760-E764 WeakPolarHBondContact O-CB 3.4Å; E760-E764 PolarHBondContact O-N 2.97Å; E764-K766 PolarHBondContact O-N 3.24Å; E764-Q767 PolarHBondContact O-N 3.23Å; E764-L768 HydrophobicContact CG-CD1 4.46Å; E764-L768 VanDerWaalsContact O-CG 3.29Å; E764-L768 WeakPolarHBondContact O-CG 3.38Å; E764-L768 PolarHBondContact O-N 3.05Å
765K81.2Confident79.1Confident127 Ų12791.1 Ų91.155%0.55246%0.457SS*.Hα-helixtrans-62.8-41.3176.5-172.2177.8-179.9-1800113.2Y761 L762 N763 Q769Y761-K765 WeakPolarHBondContact O-CB 3.42Å; Y761-K765 PolarHBondContact O-N 2.94Å; Y761-K765 VanDerWaalsContact O-N 3.09Å; L762-K765 PolarHBondContact O-N 3.12Å; N763-K765 VanDerWaalsContact C-N 3.27Å; N763-K765 PolarHBondContact O-N 2.93Å; K765-Q769 WeakPolarHBondContact O-CG 3.03Å; K765-Q769 PolarHBondContact O-N 2.78Å
766K83.2Confident78.6Confident123 Ų12389.3 Ų89.354%0.53545%0.45SS..Hα-helixtrans-65.7-44175.9-73.7174.1-176.8172.30111.4L762 N763 E764 L768 Q769 E770L762-K766 WeakPolarHBondContact O-CG 2.9Å; L762-K766 PolarHBondContact O-N 3.25Å; N763-K766 PolarHBondContact O-N 3.24Å; N763-K766 VanDerWaalsContact O-N 3.16Å; E764-K766 PolarHBondContact O-N 3.24Å; K766-L768 VanDerWaalsContact C-N 3.32Å; K766-L768 PolarHBondContact O-N 2.82Å; K766-Q769 WeakPolarHBondContact O-CB 3.42Å; K766-Q769 PolarHBondContact O-N 3.09Å; K766-Q769 VanDerWaalsContact O-N 3.1Å; K766-E770 PolarHBondContact O-N 2.74Å
767Q79.2Confident78.1Confident97 Ų9790.2 Ų90.245%0.45346%0.459SS..Hα-helixtrans-60.6-41.1179.1-169.7175.415.400111.9N763 E764 E770 L771N763-Q767 WeakPolarHBondContact O-CB 3.26Å; N763-Q767 PolarHBondContact O-N 3.49Å; E764-Q767 PolarHBondContact O-N 3.23Å; Q767-E770 PolarHBondContact O-N 3.02Å; Q767-L771 HydrophobicContact CG-CD1 4.13Å; Q767-L771 WeakPolarHBondContact O-CB 3.34Å; Q767-L771 WeakPolarHBondContact O-CD1 2.97Å; Q767-L771 WeakPolarHBondContact O-CG 3.03Å; Q767-L771 PolarHBondContact O-N 2.91Å
768L73.6Confident77.4Confident53 Ų5393.9 Ų93.928%0.27748%0.478SS..Hα-helixtrans-65-36.9174.6-69.1165.2000112.8L688 E764 K766 S772L688-L768 HydrophobicContact CD2-CD1 3.49Å; L688-L768 VanDerWaalsContact CD2-CD1 3.49Å; L688-L768 HydrophobicContact CD2-CD2 3.95Å; L688-L768 HydrophobicContact CD2-CG 4.18Å; E764-L768 HydrophobicContact CG-CD1 4.46Å; E764-L768 VanDerWaalsContact O-CG 3.29Å; E764-L768 WeakPolarHBondContact O-CG 3.38Å; E764-L768 PolarHBondContact O-N 3.05Å; K766-L768 VanDerWaalsContact C-N 3.32Å; K766-L768 PolarHBondContact O-N 2.82Å; L768-S772 WeakPolarHBondContact O-CB 3.4Å; L768-S772 PolarHBondContact O-N 3.05Å; L768-S772 PolarHBondContact O-OG 3.19Å
769Q75.3Confident76.6Confident113 Ų11391.5 Ų91.553%0.52847%0.469SS..Hα-helixtrans-65.7-43.8175.5-73.7176.9-14.500111.1K765 K766 S772 T773K765-Q769 WeakPolarHBondContact O-CG 3.03Å; K765-Q769 PolarHBondContact O-N 2.78Å; K766-Q769 WeakPolarHBondContact O-CB 3.42Å; K766-Q769 PolarHBondContact O-N 3.09Å; K766-Q769 VanDerWaalsContact O-N 3.1Å; Q769-S772 PolarHBondContact O-N 2.84Å; Q769-S772 PolarHBondContact O-OG 2.98Å; Q769-T773 WeakPolarHBondContact O-CG2 3.38Å; Q769-T773 PolarHBondContact O-N 3.39Å; Q769-T773 PolarHBondContact O-OG1 3.4Å
770E74.9Confident75.8Confident131 Ų13191.3 Ų91.361%0.61247%0.471SS*.Hα-helixtrans-61-46.9175.8-71.1176.4-178.200111.6K766 Q767 S772 T773 T774K766-E770 PolarHBondContact O-N 2.74Å; Q767-E770 PolarHBondContact O-N 3.02Å; E770-S772 PolarHBondContact O-N 2.8Å; E770-T773 PolarHBondContact O-N 2.88Å; E770-T773 PolarHBondContact O-OG1 2.99Å; E770-T774 PolarHBondContact O-N 2.98Å; E770-T774 PolarHBondContact O-OG1 2.91Å
771L66.2Low74.9Confident80 Ų8096.6 Ų96.642%0.41950%0.499SS..Hα-helixtrans-60.2-30175.7-80.2157.5000113.4Q767 T774Q767-L771 HydrophobicContact CG-CD1 4.13Å; Q767-L771 WeakPolarHBondContact O-CB 3.34Å; Q767-L771 WeakPolarHBondContact O-CD1 2.97Å; Q767-L771 WeakPolarHBondContact O-CG 3.03Å; Q767-L771 PolarHBondContact O-N 2.91Å; L771-T774 PolarHBondContact O-OG1 3.03Å
772S62.5Low74Confident96 Ų9698.5 Ų98.567%0.67152%0.516SS*.Hα-helixtrans-79.3-18.3176.9720000113.7L768 Q769 E770L768-S772 WeakPolarHBondContact O-CB 3.4Å; L768-S772 PolarHBondContact O-N 3.05Å; L768-S772 PolarHBondContact O-OG 3.19Å; Q769-S772 PolarHBondContact O-N 2.84Å; Q769-S772 PolarHBondContact O-OG 2.98Å; E770-S772 PolarHBondContact O-N 2.8Å
773T58.8Low72.9Confident119 Ų11998.1 Ų98.173%0.7351%0.514SS*.Hα-helixtrans-93.8-21179.454.70000113.9Q769 E770Q769-T773 WeakPolarHBondContact O-CG2 3.38Å; Q769-T773 PolarHBondContact O-N 3.39Å; Q769-T773 PolarHBondContact O-OG1 3.4Å; E770-T773 PolarHBondContact O-N 2.88Å; E770-T773 PolarHBondContact O-OG1 2.99Å
774T51.7Low71.8Confident157 Ų157100.8 Ų100.896%0.96353%0.527SS*.  trans-87.20171.753.70000111.1E770 L771E770-T774 PolarHBondContact O-N 2.98Å; E770-T774 PolarHBondContact O-OG1 2.91Å; L771-T774 PolarHBondContact O-OG1 3.03Å

Retrieved 774 of 774 residues in 688.6 ms (Link to these results)

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