A0A087XW04_POEFO Loading...

RNA-binding region-containing protein 3

AlphaFold DB , UniProt , Accession A0A087XW04, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 507 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
1M36.6Very low34.7Very low246 Ų246163.6 Ų163.6100%1.21285%0.853SS**  093.40-83.1-165179.800107.5
2E30.7Very low36Very low195 Ų195159.3 Ų159.391%0.91183%0.831SS**  trans-138.3114.6164.9-85.6178.414700106
3K33.8Very low37.7Very low213 Ų213148.7 Ų148.793%0.92679%0.785SS**  trans-86.3107.3-179.1-97.2178.6171.2179.60108.1N5K3-N5 PolarHBondContact O-N 3.48Å
4N32.3Very low40.3Very low160 Ų160138.7 Ų138.786%0.85673%0.733SS**  trans-64.4122.7157.4-78.3-19.5000108.3
5N30.6Very low43Very low156 Ų156137.9 Ų137.983%0.83472%0.716SS**  trans-96.5105.7171.6-139.820.5000107.3K3 D7K3-N5 PolarHBondContact O-N 3.48Å; N5-D7 PolarHBondContact O-N 3.09Å
6E38Very low45.7Very low170 Ų170129.9 Ų129.979%0.79468%0.675SS**  trans-60.2115.4165.4-73.7173.6129.900109
7D31.1Very low48.1Very low154 Ų154122.3 Ų122.382%0.82464%0.636SS**  trans-103.884.1163.2-123.2-23.9000108.5N5 S9N5-D7 PolarHBondContact O-N 3.09Å; D7-S9 VanDerWaalsContact C-N 3.34Å; D7-S9 PolarHBondContact O-N 3.34Å; D7-S9 VanDerWaalsContact O-N 3.1Å
8S36.1Very low50.3Low101 Ų101116.3 Ų116.371%0.70660%0.604SS**  trans-74.587168-69.50000109K10S8-K10 PolarHBondContact O-N 3.07Å; S8-K10 VanDerWaalsContact O-N 3.08Å
9S37.3Very low52.2Low111 Ų111110.2 Ų110.278%0.77657%0.573SS**  trans-67.5105.7172.158.80000109.9D7 S11D7-S9 VanDerWaalsContact C-N 3.34Å; D7-S9 PolarHBondContact O-N 3.34Å; D7-S9 VanDerWaalsContact O-N 3.1Å; S9-S11 PolarHBondContact O-N 3.38Å; S9-S11 VanDerWaalsContact O-N 3.09Å
10K34.3Very low53.8Low195 Ų195109 Ų10985%0.84856%0.56SS**  trans-49.3111.9173.3-69.6171.9178.7174.20110.6S8 N12S8-K10 PolarHBondContact O-N 3.07Å; S8-K10 VanDerWaalsContact O-N 3.08Å; K10-N12 PolarHBondContact O-N 3.44Å; K10-N12 VanDerWaalsContact O-N 3.09Å
11S41.3Very low55.1Low99 Ų99108.2 Ų108.269%0.69255%0.554SS**  trans-71.996.2171.755.80000109.7S9 G13S9-S11 PolarHBondContact O-N 3.38Å; S9-S11 VanDerWaalsContact O-N 3.09Å; S11-G13 PolarHBondContact O-N 3.47Å
12N50.2Low57.2Low111 Ų11196.6 Ų96.659%0.59450%0.497SS*.  trans-72.2101.9160.5-70.5-27.8000106.9K10 S14K10-N12 PolarHBondContact O-N 3.44Å; K10-N12 VanDerWaalsContact O-N 3.09Å; N12-S14 PolarHBondContact O-N 2.81Å
13G58.3Low59.3Low22 Ų2287.3 Ų87.323%0.22745%0.454CS..  trans-73.289.5-178.300000111.6S11 E63S11-G13 PolarHBondContact O-N 3.47Å; G13-E63 WeakPolarHBondContact CA-OE1 3.16Å
14S73.1Confident61.1Low9 Ų979.5 Ų79.56%0.06343%0.429CS..  trans-82.8149.1172.7-670000110.9N12 T16 F87 A88N12-S14 PolarHBondContact O-N 2.81Å; S14-T16 PolarHBondContact O-N 3.27Å; S14-F87 VanDerWaalsContact O-CD1 3.27Å; S14-F87 WeakPolarHBondContact O-CD1 3.47Å; S14-F87 WeakPolarHBondContact O-CE1 3.45Å; S14-A88 PolarHBondContact OG-O 3.02Å
15R82.1Confident63Low126 Ų12679.1 Ų79.148%0.47542%0.422SS..SBendtrans-76-7.8178.1-64.8177.5-176.3160.3-0.5113.1F60 D92R15-F60 PolarHBondContact O-N 2.86Å; R15-D92 PolarHBondContact N-OD1 2.91Å; R15-D92 VanDerWaalsContact N-OD1 3.07Å
16T85.9Confident65Low11 Ų1173.3 Ų73.37%0.06739%0.39CS..EExtended strand (participates in β ladder)trans-114.8129.5-176.1-54.30000109.8S14 F57 A58 A88S14-T16 PolarHBondContact O-N 3.27Å; T16-F57 HydrophobicContact CG2-CB 4.31Å; T16-F57 HydrophobicContact CG2-CD1 3.94Å; T16-F57 HydrophobicContact CG2-CG 4.45Å; T16-A58 WeakPolarHBondContact CA-O 3.47Å; T16-A88 HydrophobicContact CG2-CB 3.95Å; T16-A88 WeakPolarHBondContact O-CB 3.43Å; T16-A88 PolarHBondContact O-N 2.89Å
17L86.8Confident67Low0 Ų070 Ų700%038%0.379CS..EExtended strand (participates in β ladder)trans-105.9139.7174.9-58.4-177.8000110.4F57 A58 F60 A66 A69 L70 V85 F87L17-F57 CarbonylContact O-C 3.6Å; L17-F57 WeakPolarHBondContact O-CA 3.34Å; L17-A58 PolarHBondContact N-O 3.38Å; L17-A58 PolarHBondContact O-N 3.11Å; L17-F60 HydrophobicContact CB-CE2 3.99Å; L17-F60 HydrophobicContact CD1-CD2 4.02Å; L17-F60 HydrophobicContact CD1-CE2 3.34Å; L17-F60 HydrophobicContact CD1-CZ 3.9Å; L17-F60 HydrophobicContact CG-CD2 3.96Å; L17-F60 HydrophobicContact CG-CE2 3.59Å; L17-A66 WeakPolarHBondContact CD1-O 3.33Å; L17-A66 HydrophobicContact CD2-CB 4.22Å; L17-A66 HydrophobicContact CG-CB 4.27Å; L17-A69 HydrophobicContact CD1-CB 3.89Å; L17-L70 HydrophobicContact CD1-CB 4.13Å; L17-L70 HydrophobicContact CD2-CB 4.27Å; L17-L70 HydrophobicContact CD2-CD1 4.17Å; L17-V85 HydrophobicContact CB-CG1 3.89Å; L17-V85 HydrophobicContact CD1-CG1 3.84Å; L17-V85 HydrophobicContact CD2-CG1 4.42Å; L17-V85 HydrophobicContact CG-CG1 4.28Å; L17-F87 HydrophobicContact CD2-CD1 3.46Å; L17-F87 VanDerWaalsContact CD2-CD1 3.46Å; L17-F87 HydrophobicContact CD2-CE1 3.59Å; L17-F87 HydrophobicContact CD2-CG 4.19Å; L17-F87 HydrophobicContact CD2-CZ 4.4Å
18L86.9Confident69.3Low14 Ų1466.5 Ų66.57%0.07336%0.362CS..EExtended strand (participates in β ladder)trans-99114.8167.9177.158.2000108.8R20 A55 F57 V85 E86L18-R20 HydrophobicContact CD2-CG 4.39Å; L18-R20 HydrophobicContact CG-CG 4.11Å; L18-A55 HydrophobicContact CD1-CB 4.21Å; L18-F57 HydrophobicContact CB-CD1 4.03Å; L18-F57 HydrophobicContact CB-CE1 3.72Å; L18-F57 HydrophobicContact CD1-CD1 3.98Å; L18-F57 HydrophobicContact CD1-CE1 3.65Å; L18-F57 HydrophobicContact CD1-CE2 4.37Å; L18-F57 HydrophobicContact CD1-CZ 3.83Å; L18-F57 HydrophobicContact CD2-CE1 4.35Å; L18-F57 HydrophobicContact CG-CE1 4.09Å; L18-V85 WeakPolarHBondContact O-CA 3.19Å; L18-E86 PolarHBondContact N-O 3.48Å; L18-E86 PolarHBondContact O-N 3.25Å
19V86.8Confident71.5Confident0 Ų066.7 Ų66.70%036%0.356CS..EExtended strand (participates in β ladder)trans-98.2123.5174.1-175.60000108.1L22 L35 A55 A56 L83 V85V19-L22 HydrophobicContact CG1-CD1 4.2Å; V19-L22 HydrophobicContact CG1-CD2 4.23Å; V19-L22 HydrophobicContact CG1-CG 4.02Å; V19-L35 HydrophobicContact CG2-CD2 3.87Å; V19-A55 CarbonylContact O-C 3.43Å; V19-A55 WeakPolarHBondContact O-CA 3.48Å; V19-A55 WeakPolarHBondContact O-CB 3.31Å; V19-A56 PolarHBondContact N-O 2.91Å; V19-A56 PolarHBondContact O-N 3.21Å; V19-L83 HydrophobicContact CG1-CB 4.5Å; V19-L83 HydrophobicContact CG1-CD1 4.49Å; V19-L83 HydrophobicContact CG1-CD2 4.34Å; V19-V85 HydrophobicContact CB-CG2 4.37Å; V19-V85 HydrophobicContact CG1-CG2 4.11Å; V19-V85 HydrophobicContact CG2-CG1 4.21Å; V19-V85 HydrophobicContact CG2-CG2 3.93Å
20R83.3Confident73.7Confident86 Ų8665.6 Ų65.633%0.32534%0.338SS..EExtended strand (participates in β ladder)trans-113.6158.5177-62.4177.1176.2-94.63.4109.9L18 I84L18-R20 HydrophobicContact CD2-CG 4.39Å; L18-R20 HydrophobicContact CG-CG 4.11Å; R20-I84 HydrophobicContact CB-CB 4.4Å; R20-I84 PolarHBondContact N-O 3.11Å; R20-I84 PolarHBondContact O-N 3.48Å; R20-I84 VanDerWaalsContact O-N 3.08Å
21H80.9Confident76Confident94 Ų9456.6 Ų56.644%0.43530%0.299SS..  trans67.438.7178.4-53.2-82.4000114H54 Q81 L83H21-H54 PolarHBondContact N-O 2.99Å; H21-H54 VanDerWaalsContact N-O 3.09Å; H21-Q81 PolarHBondContact O-OE1 3.4Å; H21-L83 WeakPolarHBondContact O-CD2 3.41Å
22L80.6Confident78Confident1 Ų155.6 Ų55.61%0.00528%0.283CS..  trans-71.7129.6170.1-76.9158.8000110.4V19 A24 K31 L34 H54 A56 L83V19-L22 HydrophobicContact CG1-CD1 4.2Å; V19-L22 HydrophobicContact CG1-CD2 4.23Å; V19-L22 HydrophobicContact CG1-CG 4.02Å; L22-A24 PolarHBondContact O-N 2.98Å; L22-K31 HydrophobicContact CB-CD 4.49Å; L22-L34 HydrophobicContact CD2-CD2 4.41Å; L22-H54 PolarHBondContact N-O 3.2Å; L22-H54 VanDerWaalsContact O-CB 3.28Å; L22-H54 WeakPolarHBondContact O-CB 3.26Å; L22-A56 HydrophobicContact CD1-CB 3.48Å; L22-A56 VanDerWaalsContact CD1-CB 3.48Å; L22-L83 HydrophobicContact CD2-CD2 3.84Å; L22-L83 HydrophobicContact CG-CD2 4.15Å
23P75.8Confident79.7Confident1 Ų155 Ų551%0.00628%0.28CS..  trans-49.3135.8-179.1-29.134.2000113.4E25 L26 K31 I78 L79 Q81P23-E25 PolarHBondContact O-N 3.44Å; P23-L26 HydrophobicContact CB-CB 4.48Å; P23-K31 WeakPolarHBondContact O-CE 3.28Å; P23-K31 PolarHBondContact O-NZ 3.07Å; P23-I78 HydrophobicContact CG-CB 4.16Å; P23-I78 HydrophobicContact CG-CG2 4.09Å; P23-I78 VanDerWaalsContact CG-O 3.29Å; P23-I78 WeakPolarHBondContact CG-O 3.27Å; P23-L79 HydrophobicContact CB-CB 4.4Å; P23-L79 HydrophobicContact CB-CD1 4.39Å; P23-L79 HydrophobicContact CG-CB 4.28Å; P23-Q81 HydrophobicContact CG-CB 4.26Å; P23-Q81 HydrophobicContact CG-CG 4.5Å
24A70.7Confident81Confident49 Ų4955.8 Ų55.841%0.40528%0.279SS..THydrogen-bonded Turntrans-68.5-24.1177.600000112.4L22 L26 H54L22-A24 PolarHBondContact O-N 2.98Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-H54 WeakPolarHBondContact CB-CE1 3.35Å
25E73.8Confident81.6Confident151 Ų15155.4 Ų55.471%0.70628%0.276SS*.THydrogen-bonded Turntrans-75.3-20.9-177.1-66.8165.5-164.200113.2P23 L79P23-E25 PolarHBondContact O-N 3.44Å; E25-L79 HydrophobicContact CB-CD1 4.47Å
26L72.1Confident81.7Confident34 Ų3458 Ų5818%0.17829%0.286CS..SBendtrans-85.9134.4-178.8-154.278.4000110.2P23 A24 E30 K31P23-L26 HydrophobicContact CB-CB 4.48Å; A24-L26 VanDerWaalsContact C-N 3.33Å; L26-E30 HydrophobicContact CD1-CB 3.98Å; L26-E30 WeakPolarHBondContact CD1-OE2 3.45Å; L26-E30 HydrophobicContact CD2-CB 3.96Å; L26-E30 HydrophobicContact CG-CB 3.56Å; L26-E30 VanDerWaalsContact CG-OE2 3.3Å; L26-E30 WeakPolarHBondContact CG-OE2 3.4Å; L26-K31 HydrophobicContact CB-CG 4.21Å; L26-K31 HydrophobicContact CD2-CG 3.81Å; L26-K31 HydrophobicContact CG-CG 4.3Å; L26-K31 WeakPolarHBondContact O-CE 3.43Å; L26-K31 PolarHBondContact O-NZ 2.99Å
27N80.1Confident81.7Confident102 Ų10266.8 Ų66.855%0.54532%0.319SS..  trans-65.8162.1178.7-77.4-36000111.5D29 E30 K31N27-D29 PolarHBondContact O-N 3.09Å; N27-E30 HydrophobicContact CB-CB 4.45Å; N27-E30 HydrophobicContact CB-CG 4.19Å; N27-E30 PolarHBondContact N-OE2 3.08Å; N27-E30 PolarHBondContact O-N 3.47Å; N27-K31 VanDerWaalsContact O-CG 3.28Å; N27-K31 WeakPolarHBondContact O-CG 3.46Å; N27-K31 PolarHBondContact O-N 2.95Å; N27-K31 VanDerWaalsContact O-N 3.08Å
28T78.9Confident81.4Confident79 Ų7969 Ų6949%0.48533%0.329SS..Hα-helixtrans-57.5-40.8177450000111.6K31 E32 V45T28-K31 WeakPolarHBondContact O-CB 3.36Å; T28-K31 PolarHBondContact O-N 3.33Å; T28-E32 WeakPolarHBondContact O-CG 3.31Å; T28-E32 PolarHBondContact O-N 3.11Å; T28-V45 HydrophobicContact CG2-CG1 4.37Å
29D82.1Confident81.1Confident105 Ų10569.6 Ų69.656%0.56134%0.339SS*.Hα-helixtrans-72-40.2-174.4-51.6-10.9000110.8N27 K31 E32 D33N27-D29 PolarHBondContact O-N 3.09Å; D29-K31 VanDerWaalsContact C-N 3.32Å; D29-K31 PolarHBondContact O-N 3.33Å; D29-E32 WeakPolarHBondContact O-CB 3.31Å; D29-E32 PolarHBondContact O-N 3.31Å; D29-E32 VanDerWaalsContact O-N 3.14Å; D29-D33 PolarHBondContact O-N 3.12Å
30E84.3Confident81Confident88 Ų8870 Ų7041%0.41134%0.342SS..Hα-helixtrans-64.7-35.2174.5-68.9169.517300112.2L26 N27 E32 L34L26-E30 HydrophobicContact CD1-CB 3.98Å; L26-E30 WeakPolarHBondContact CD1-OE2 3.45Å; L26-E30 HydrophobicContact CD2-CB 3.96Å; L26-E30 HydrophobicContact CG-CB 3.56Å; L26-E30 VanDerWaalsContact CG-OE2 3.3Å; L26-E30 WeakPolarHBondContact CG-OE2 3.4Å; N27-E30 HydrophobicContact CB-CB 4.45Å; N27-E30 HydrophobicContact CB-CG 4.19Å; N27-E30 PolarHBondContact N-OE2 3.08Å; N27-E30 PolarHBondContact O-N 3.47Å; E30-E32 VanDerWaalsContact C-N 3.34Å; E30-L34 WeakPolarHBondContact O-CB 3.34Å; E30-L34 PolarHBondContact O-N 3.09Å
31K82.4Confident81Confident6 Ų671 Ų713%0.02635%0.35CS..Hα-helixtrans-66.8-36.7172.9-71.3166.8175151.40111.7L22 P23 L26 N27 T28 D29 L35 V45L22-K31 HydrophobicContact CB-CD 4.49Å; P23-K31 WeakPolarHBondContact O-CE 3.28Å; P23-K31 PolarHBondContact O-NZ 3.07Å; L26-K31 HydrophobicContact CB-CG 4.21Å; L26-K31 HydrophobicContact CD2-CG 3.81Å; L26-K31 HydrophobicContact CG-CG 4.3Å; L26-K31 WeakPolarHBondContact O-CE 3.43Å; L26-K31 PolarHBondContact O-NZ 2.99Å; N27-K31 VanDerWaalsContact O-CG 3.28Å; N27-K31 WeakPolarHBondContact O-CG 3.46Å; N27-K31 PolarHBondContact O-N 2.95Å; N27-K31 VanDerWaalsContact O-N 3.08Å; T28-K31 WeakPolarHBondContact O-CB 3.36Å; T28-K31 PolarHBondContact O-N 3.33Å; D29-K31 VanDerWaalsContact C-N 3.32Å; D29-K31 PolarHBondContact O-N 3.33Å; K31-L35 WeakPolarHBondContact O-CG 3.46Å; K31-L35 PolarHBondContact O-N 3.16Å; K31-V45 HydrophobicContact CB-CG1 4.39Å; K31-V45 HydrophobicContact CB-CG2 3.93Å; K31-V45 HydrophobicContact CD-CG1 3.84Å
32E83.8Confident80.9Confident78 Ų7868.9 Ų68.936%0.36435%0.346SS..Hα-helixtrans-69.3-44.8175.9-70.6-177.2-175.100111.6T28 D29 E30 L34 L35 R36 V43 V45T28-E32 WeakPolarHBondContact O-CG 3.31Å; T28-E32 PolarHBondContact O-N 3.11Å; D29-E32 WeakPolarHBondContact O-CB 3.31Å; D29-E32 PolarHBondContact O-N 3.31Å; D29-E32 VanDerWaalsContact O-N 3.14Å; E30-E32 VanDerWaalsContact C-N 3.34Å; E32-L34 PolarHBondContact O-N 2.96Å; E32-L35 PolarHBondContact O-N 3.14Å; E32-R36 VanDerWaalsContact O-CB 3.31Å; E32-R36 WeakPolarHBondContact O-CB 3.5Å; E32-R36 PolarHBondContact O-N 3.36Å; E32-V43 HydrophobicContact CB-CB 4.48Å; E32-V43 HydrophobicContact CB-CG1 4.43Å; E32-V43 HydrophobicContact CG-CB 4.15Å; E32-V43 HydrophobicContact CG-CG1 3.93Å; E32-V45 HydrophobicContact CG-CG2 3.6Å
33D85.6Confident81.1Confident99 Ų9970 Ų7053%0.52935%0.354SS..Hα-helixtrans-63.3-40.3178.6-79.1-19.1000112.4D29 L35 R36 Y37D29-D33 PolarHBondContact O-N 3.12Å; D33-L35 PolarHBondContact O-N 3.44Å; D33-R36 PolarHBondContact O-N 2.82Å; D33-Y37 WeakPolarHBondContact O-CB 3.41Å; D33-Y37 PolarHBondContact O-N 3.1Å
34L85.1Confident81.4Confident39 Ų3977.7 Ų77.720%0.20438%0.382CS..Hα-helixtrans-55.8-52.4172.7178.972.7000110.6L22 E30 E32 R36 Y37 F38 I78L22-L34 HydrophobicContact CD2-CD2 4.41Å; E30-L34 WeakPolarHBondContact O-CB 3.34Å; E30-L34 PolarHBondContact O-N 3.09Å; E32-L34 PolarHBondContact O-N 2.96Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 3.29Å; L34-Y37 WeakPolarHBondContact O-CB 3.48Å; L34-Y37 PolarHBondContact O-N 3.48Å; L34-F38 HydrophobicContact CD1-CE2 3.98Å; L34-F38 VanDerWaalsContact O-CD2 3.23Å; L34-F38 WeakPolarHBondContact O-CD2 3.48Å; L34-F38 PolarHBondContact O-N 3.5Å; L34-I78 HydrophobicContact CD1-CD1 3.96Å; L34-I78 HydrophobicContact CD2-CD1 3.3Å; L34-I78 HydrophobicContact CG-CD1 4.27Å
35L85Confident81.9Confident0 Ų076.6 Ų76.60%037%0.371CS..Hα-helixtrans-69.5-30.8-177-67.7171.4000112.1V19 K31 E32 D33 F38 A40 V43 A56 A58 L73V19-L35 HydrophobicContact CG2-CD2 3.87Å; K31-L35 WeakPolarHBondContact O-CG 3.46Å; K31-L35 PolarHBondContact O-N 3.16Å; E32-L35 PolarHBondContact O-N 3.14Å; D33-L35 PolarHBondContact O-N 3.44Å; L35-F38 PolarHBondContact O-N 3.39Å; L35-A40 HydrophobicContact CB-CB 4.34Å; L35-A40 WeakPolarHBondContact O-CB 3.39Å; L35-A40 PolarHBondContact O-N 3.08Å; L35-A40 VanDerWaalsContact O-N 3.15Å; L35-V43 HydrophobicContact CB-CG1 4.07Å; L35-V43 HydrophobicContact CB-CG2 3.64Å; L35-V43 HydrophobicContact CD1-CG1 3.48Å; L35-V43 VanDerWaalsContact CD1-CG1 3.48Å; L35-V43 HydrophobicContact CG-CG1 4.39Å; L35-A56 HydrophobicContact CD1-CB 3.64Å; L35-A58 HydrophobicContact CD1-CB 4.43Å; L35-A58 HydrophobicContact CD2-CB 4.45Å; L35-L73 HydrophobicContact CD2-CD1 3.96Å
36R85.8Confident82.1Confident180 Ų18071.5 Ų71.568%0.67935%0.346SS*.Hα-helixtrans-69.1-36.3173.9-165.5172.1-176.7-167.4-0.2112.6E32 D33 L34 F38 G39E32-R36 VanDerWaalsContact O-CB 3.31Å; E32-R36 WeakPolarHBondContact O-CB 3.5Å; E32-R36 PolarHBondContact O-N 3.36Å; D33-R36 PolarHBondContact O-N 2.82Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 3.29Å; R36-F38 PolarHBondContact O-N 3.19Å; R36-G39 PolarHBondContact O-N 3.4Å
37Y85.6Confident82.2Confident196 Ų19674.4 Ų74.477%0.76937%0.369SS*.Hα-helixtrans-58.9-35.6173.3-178.8-100.7000112D33 L34 G39D33-Y37 WeakPolarHBondContact O-CB 3.41Å; D33-Y37 PolarHBondContact O-N 3.1Å; L34-Y37 WeakPolarHBondContact O-CB 3.48Å; L34-Y37 PolarHBondContact O-N 3.48Å; Y37-G39 PolarHBondContact O-N 3.34Å
38F79.6Confident81.7Confident47 Ų4773.5 Ų73.521%0.20636%0.364CS..THydrogen-bonded Turntrans-81.86.3175.2-71.6-83.7000114.2L34 L35 R36 R72 L73 L76L34-F38 HydrophobicContact CD1-CE2 3.98Å; L34-F38 VanDerWaalsContact O-CD2 3.23Å; L34-F38 WeakPolarHBondContact O-CD2 3.48Å; L34-F38 PolarHBondContact O-N 3.5Å; L35-F38 PolarHBondContact O-N 3.39Å; R36-F38 PolarHBondContact O-N 3.19Å; F38-R72 HydrophobicContact CD1-CB 4.24Å; F38-R72 HydrophobicContact CE1-CB 4.09Å; F38-L73 HydrophobicContact CB-CD1 4.18Å; F38-L73 HydrophobicContact CB-CG 4.45Å; F38-L73 HydrophobicContact CD1-CD2 4.36Å; F38-L73 HydrophobicContact CD1-CG 4.29Å; F38-L73 HydrophobicContact CD2-CD2 3.57Å; F38-L73 HydrophobicContact CD2-CG 4.23Å; F38-L73 HydrophobicContact CE1-CD2 4.48Å; F38-L73 HydrophobicContact CE2-CD2 3.73Å; F38-L73 HydrophobicContact CG-CD1 4.33Å; F38-L73 HydrophobicContact CG-CD2 3.92Å; F38-L73 HydrophobicContact CG-CG 4.07Å; F38-L73 HydrophobicContact CZ-CD2 4.19Å; F38-L76 HydrophobicContact CZ-CD1 4.15Å
39G80.8Confident80.9Confident26 Ų2680.8 Ų80.827%0.26838%0.383SS..THydrogen-bonded Turntrans93.221.3172.200000115.2R36 Y37 F60R36-G39 PolarHBondContact O-N 3.4Å; Y37-G39 PolarHBondContact O-N 3.34Å; G39-F60 WeakPolarHBondContact O-CD1 3.09Å
40A85.3Confident80.4Confident10 Ų1078.3 Ų78.38%0.08338%0.382CS..EExtended strand (participates in β ladder)trans-67.5136.3170.900000111.1L35 V43 A58 F60L35-A40 HydrophobicContact CB-CB 4.34Å; L35-A40 WeakPolarHBondContact O-CB 3.39Å; L35-A40 PolarHBondContact O-N 3.08Å; L35-A40 VanDerWaalsContact O-N 3.15Å; A40-V43 HydrophobicContact CB-CG2 3.63Å; A40-A58 HydrophobicContact CB-CB 4.04Å; A40-F60 HydrophobicContact CB-CE1 4.11Å; A40-F60 HydrophobicContact CB-CZ 4.18Å
41E83.5Confident79.4Confident105 Ų10586.1 Ų86.149%0.49141%0.408SS..EExtended strand (participates in β ladder)trans-88.5-33.7176178.9171.4-135.100111.9R59 K61E41-R59 PolarHBondContact N-O 3.08Å; E41-K61 HydrophobicContact CB-CG 4.02Å; E41-K61 HydrophobicContact CG-CG 4.32Å; E41-K61 WeakPolarHBondContact OE1-CE 3.41Å
42S78.4Confident78.9Confident50 Ų5088.8 Ų88.835%0.3542%0.422SS..EExtended strand (participates in β ladder)trans-141.9131.5175.1175.80000108.6R59S42-R59 PolarHBondContact N-O 3.09Å; S42-R59 PolarHBondContact O-N 3.41Å
43V84.4Confident78.4Confident26 Ų2691.2 Ų91.216%0.15843%0.431CS..EExtended strand (participates in β ladder)trans-119.6135.4178.1-1760000107.8E32 L35 A40 V45 F57E32-V43 HydrophobicContact CB-CB 4.48Å; E32-V43 HydrophobicContact CB-CG1 4.43Å; E32-V43 HydrophobicContact CG-CB 4.15Å; E32-V43 HydrophobicContact CG-CG1 3.93Å; L35-V43 HydrophobicContact CB-CG1 4.07Å; L35-V43 HydrophobicContact CB-CG2 3.64Å; L35-V43 HydrophobicContact CD1-CG1 3.48Å; L35-V43 VanDerWaalsContact CD1-CG1 3.48Å; L35-V43 HydrophobicContact CG-CG1 4.39Å; A40-V43 HydrophobicContact CB-CG2 3.63Å; V43-V45 HydrophobicContact CG1-CG2 4.07Å; V43-F57 CarbonylContact C-O 3.55Å; V43-F57 WeakPolarHBondContact CA-O 3.34Å
44R82.2Confident78.1Confident162 Ų16288.6 Ų88.661%0.61142%0.416SS*.EExtended strand (participates in β ladder)trans-126.4104.6173-173179-173.3-166.73.5108.8A56 F57R44-A56 CarbonylContact O-C 3.53Å; R44-A56 VanDerWaalsContact O-CA 3.25Å; R44-A56 WeakPolarHBondContact O-CA 3.45Å; R44-F57 PolarHBondContact N-O 3.29Å; R44-F57 PolarHBondContact O-N 3.06Å
45V82.1Confident78Confident26 Ų2686.8 Ų86.816%0.15841%0.407CS..EExtended strand (participates in β ladder)trans-83.8134.2177.1-176.50000109.8T28 K31 E32 V43 A56T28-V45 HydrophobicContact CG2-CG1 4.37Å; K31-V45 HydrophobicContact CB-CG1 4.39Å; K31-V45 HydrophobicContact CB-CG2 3.93Å; K31-V45 HydrophobicContact CD-CG1 3.84Å; E32-V45 HydrophobicContact CG-CG2 3.6Å; V43-V45 HydrophobicContact CG1-CG2 4.07Å; V45-A56 HydrophobicContact CG2-CB 4.35Å
46F78.2Confident78.1Confident44 Ų4486.8 Ų86.819%0.19341%0.407CS..PPolyproline II helixtrans-94.8146.8174.1-66.4-87.6000111.3L52 A55 F57F46-L52 VanDerWaalsContact CB-O 3.3Å; F46-L52 WeakPolarHBondContact CB-O 3.34Å; F46-L52 HydrophobicContact CG-CB 4.45Å; F46-A55 WeakPolarHBondContact CB-O 3.46Å; F46-A55 HydrophobicContact CD2-CB 4.49Å; F46-A55 WeakPolarHBondContact CD2-O 3.49Å; F46-A55 PolarHBondContact N-O 2.93Å; F46-F57 HydrophobicContact CD2-CD2 4.46Å; F46-F57 AromaticContact CE2-CD2 3.17Å; F46-F57 HydrophobicContact CE2-CD2 3.17Å; F46-F57 AromaticContact CE2-CE2 3.5Å; F46-F57 HydrophobicContact CE2-CE2 3.5Å; F46-F57 VanDerWaalsContact CE2-CE2 3.5Å; F46-F57 HydrophobicContact CE2-CG 4.12Å; F46-F57 AromaticContact CZ-CD2 3.35Å; F46-F57 HydrophobicContact CZ-CD2 3.35Å; F46-F57 AromaticContact CZ-CE2 3.46Å; F46-F57 HydrophobicContact CZ-CE2 3.46Å; F46-F57 VanDerWaalsContact CZ-CE2 3.46Å
47S73.1Confident78.2Confident94 Ų9479.8 Ų79.866%0.65738%0.381SS*.PPolyproline II helixtrans-64.7164.1179.6-48.40000112.8R49 K53S47-R49 PolarHBondContact O-N 3Å; S47-K53 WeakPolarHBondContact O-CA 3.4Å
48N69.9Low78.3Confident84 Ų8470.5 Ų70.545%0.44935%0.345SS..SBendtrans-70.69.3-179.3-60.5-13.7000114.4H54N48-H54 PolarHBondContact OD1-CE1 3.24Å; N48-H54 PolarHBondContact OD1-ND1 3.14Å
49R62.5Low78.7Confident231 Ų23171.3 Ų71.387%0.87235%0.347SS*.SBendtrans-127132-175.5-64.9-174.8-178.1-179.31.8110.8S47S47-R49 PolarHBondContact O-N 3Å
50G70.1Confident79Confident53 Ų5370.2 Ų70.255%0.54633%0.334SS..SBendtrans112.5-171.517500000114.7L52 K53G50-L52 VanDerWaalsContact C-N 3.28Å; G50-L52 PolarHBondContact O-N 3.23Å; G50-K53 WeakPolarHBondContact O-CG 3.38Å; G50-K53 PolarHBondContact O-N 3.39Å
51R63.9Low79Confident252 Ų25276.5 Ų76.595%0.95136%0.36SS*.THydrogen-bonded Turntrans-69.8-20.9-178.8-73.4-173.5174.9-168.7-1.7114
52L71.7Confident79.1Confident62 Ų6273.7 Ų73.733%0.32535%0.352SS..THydrogen-bonded Turntrans-112.337175.5-69.2168.7000111F46 G50 A55F46-L52 VanDerWaalsContact CB-O 3.3Å; F46-L52 WeakPolarHBondContact CB-O 3.34Å; F46-L52 HydrophobicContact CG-CB 4.45Å; G50-L52 VanDerWaalsContact C-N 3.28Å; G50-L52 PolarHBondContact O-N 3.23Å; L52-A55 HydrophobicContact CB-CB 4.42Å
53K73.1Confident79.5Confident129 Ų12975.9 Ų75.956%0.56136%0.356SS*.THydrogen-bonded Turntrans-62.4142.517360.9-179.4-178.4174.30109.9S47 G50 A55S47-K53 WeakPolarHBondContact O-CA 3.4Å; G50-K53 WeakPolarHBondContact O-CG 3.38Å; G50-K53 PolarHBondContact O-N 3.39Å; K53-A55 PolarHBondContact O-N 3.03Å
54H79.5Confident79.6Confident44 Ų4480.1 Ų80.120%0.20438%0.378CS..THydrogen-bonded Turntrans57.835176.2-53.8-59.2000113H21 L22 A24 N48H21-H54 PolarHBondContact N-O 2.99Å; H21-H54 VanDerWaalsContact N-O 3.09Å; L22-H54 PolarHBondContact N-O 3.2Å; L22-H54 VanDerWaalsContact O-CB 3.28Å; L22-H54 WeakPolarHBondContact O-CB 3.26Å; A24-H54 WeakPolarHBondContact CB-CE1 3.35Å; N48-H54 PolarHBondContact OD1-CE1 3.24Å; N48-H54 PolarHBondContact OD1-ND1 3.14Å
55A84.4Confident79.7Confident1 Ų176.1 Ų76.11%0.00837%0.368CS..EExtended strand (participates in β ladder)trans-122.4157.2178.100000111.1L18 V19 F46 L52 K53L18-A55 HydrophobicContact CD1-CB 4.21Å; V19-A55 CarbonylContact O-C 3.43Å; V19-A55 WeakPolarHBondContact O-CA 3.48Å; V19-A55 WeakPolarHBondContact O-CB 3.31Å; F46-A55 WeakPolarHBondContact CB-O 3.46Å; F46-A55 HydrophobicContact CD2-CB 4.49Å; F46-A55 WeakPolarHBondContact CD2-O 3.49Å; F46-A55 PolarHBondContact N-O 2.93Å; L52-A55 HydrophobicContact CB-CB 4.42Å; K53-A55 PolarHBondContact O-N 3.03Å
56A85.9Confident79.9Confident0 Ų074.9 Ų74.90%036%0.36CS..EExtended strand (participates in β ladder)trans-141.7144.7173.100000110.7V19 L22 L35 R44 V45V19-A56 PolarHBondContact N-O 2.91Å; V19-A56 PolarHBondContact O-N 3.21Å; L22-A56 HydrophobicContact CD1-CB 3.48Å; L22-A56 VanDerWaalsContact CD1-CB 3.48Å; L35-A56 HydrophobicContact CD1-CB 3.64Å; R44-A56 CarbonylContact O-C 3.53Å; R44-A56 VanDerWaalsContact O-CA 3.25Å; R44-A56 WeakPolarHBondContact O-CA 3.45Å; V45-A56 HydrophobicContact CG2-CB 4.35Å
57F87.8Confident80.3Confident34 Ų3475 Ų7515%0.14937%0.369CS..EExtended strand (participates in β ladder)trans-95131.5163.9-75.5-66.6000109.4T16 L17 L18 V43 R44 F46 A88T16-F57 HydrophobicContact CG2-CB 4.31Å; T16-F57 HydrophobicContact CG2-CD1 3.94Å; T16-F57 HydrophobicContact CG2-CG 4.45Å; L17-F57 CarbonylContact O-C 3.6Å; L17-F57 WeakPolarHBondContact O-CA 3.34Å; L18-F57 HydrophobicContact CB-CD1 4.03Å; L18-F57 HydrophobicContact CB-CE1 3.72Å; L18-F57 HydrophobicContact CD1-CD1 3.98Å; L18-F57 HydrophobicContact CD1-CE1 3.65Å; L18-F57 HydrophobicContact CD1-CE2 4.37Å; L18-F57 HydrophobicContact CD1-CZ 3.83Å; L18-F57 HydrophobicContact CD2-CE1 4.35Å; L18-F57 HydrophobicContact CG-CE1 4.09Å; V43-F57 CarbonylContact C-O 3.55Å; V43-F57 WeakPolarHBondContact CA-O 3.34Å; R44-F57 PolarHBondContact N-O 3.29Å; R44-F57 PolarHBondContact O-N 3.06Å; F46-F57 HydrophobicContact CD2-CD2 4.46Å; F46-F57 AromaticContact CE2-CD2 3.17Å; F46-F57 HydrophobicContact CE2-CD2 3.17Å; F46-F57 AromaticContact CE2-CE2 3.5Å; F46-F57 HydrophobicContact CE2-CE2 3.5Å; F46-F57 VanDerWaalsContact CE2-CE2 3.5Å; F46-F57 HydrophobicContact CE2-CG 4.12Å; F46-F57 AromaticContact CZ-CD2 3.35Å; F46-F57 HydrophobicContact CZ-CD2 3.35Å; F46-F57 AromaticContact CZ-CE2 3.46Å; F46-F57 HydrophobicContact CZ-CE2 3.46Å; F46-F57 VanDerWaalsContact CZ-CE2 3.46Å; F57-A88 HydrophobicContact CD1-CB 4.1Å; F57-A88 HydrophobicContact CE1-CB 3.72Å
58A88Confident80.9Confident0 Ų076.9 Ų76.90%037%0.366CS..EExtended strand (participates in β ladder)trans-118.6119.9172.600000109T16 L17 L35 A40 F60T16-A58 WeakPolarHBondContact CA-O 3.47Å; L17-A58 PolarHBondContact N-O 3.38Å; L17-A58 PolarHBondContact O-N 3.11Å; L35-A58 HydrophobicContact CD1-CB 4.43Å; L35-A58 HydrophobicContact CD2-CB 4.45Å; A40-A58 HydrophobicContact CB-CB 4.04Å; A58-F60 HydrophobicContact CB-CE2 3.61Å; A58-F60 HydrophobicContact CB-CZ 3.91Å; A58-F60 WeakPolarHBondContact O-CD2 3.43Å; A58-F60 WeakPolarHBondContact O-CE2 3.48Å
59R88.3Confident81.6Confident65 Ų6573 Ų7325%0.24535%0.345CS..EExtended strand (participates in β ladder)trans-94.5131.4174.5-170.6-177.5-172.6-134.27109.4E41 S42E41-R59 PolarHBondContact N-O 3.08Å; S42-R59 PolarHBondContact N-O 3.09Å; S42-R59 PolarHBondContact O-N 3.41Å
60F87.3Confident82.8Confident2 Ų263.9 Ų63.91%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-111.3151.2178.7-63.5-92.6000110.9R15 L17 G39 A40 A58 S62 M65 A66 A69R15-F60 PolarHBondContact O-N 2.86Å; L17-F60 HydrophobicContact CB-CE2 3.99Å; L17-F60 HydrophobicContact CD1-CD2 4.02Å; L17-F60 HydrophobicContact CD1-CE2 3.34Å; L17-F60 HydrophobicContact CD1-CZ 3.9Å; L17-F60 HydrophobicContact CG-CD2 3.96Å; L17-F60 HydrophobicContact CG-CE2 3.59Å; G39-F60 WeakPolarHBondContact O-CD1 3.09Å; A40-F60 HydrophobicContact CB-CE1 4.11Å; A40-F60 HydrophobicContact CB-CZ 4.18Å; A58-F60 HydrophobicContact CB-CE2 3.61Å; A58-F60 HydrophobicContact CB-CZ 3.91Å; A58-F60 WeakPolarHBondContact O-CD2 3.43Å; A58-F60 WeakPolarHBondContact O-CE2 3.48Å; F60-S62 PolarHBondContact O-N 2.83Å; F60-M65 HydrophobicContact CB-CB 4.29Å; F60-M65 HydrophobicContact CD1-CB 4.46Å; F60-A66 HydrophobicContact CB-CB 4.05Å; F60-A66 HydrophobicContact CD2-CB 3.97Å; F60-A66 HydrophobicContact CG-CB 4.15Å; F60-A69 HydrophobicContact CD1-CB 4.09Å; F60-A69 HydrophobicContact CE1-CB 3.35Å; F60-A69 HydrophobicContact CE2-CB 4.12Å; F60-A69 HydrophobicContact CZ-CB 3.38Å
61K84.9Confident83.5Confident143 Ų14365.5 Ų65.562%0.62232%0.316SS*.SBendtrans-62.4-29.8-179.7-66.4-175.9174.8-177.30113.4E41 M65E41-K61 HydrophobicContact CB-CG 4.02Å; E41-K61 HydrophobicContact CG-CG 4.32Å; E41-K61 WeakPolarHBondContact OE1-CE 3.41Å; K61-M65 HydrophobicContact CB-SD 4.32Å
62S85Confident84.4Confident46 Ų4661.5 Ų61.532%0.32230%0.301SS..SBendtrans-143148.2-177-179.20000110.5F60 N64 M65 A66F60-S62 PolarHBondContact O-N 2.83Å; S62-N64 PolarHBondContact O-N 2.81Å; S62-N64 PolarHBondContact OG-N 2.94Å; S62-M65 WeakPolarHBondContact O-CB 3.08Å; S62-M65 PolarHBondContact O-N 3.32Å; S62-A66 PolarHBondContact O-N 3.4Å
63E87.8Confident85Confident95 Ų9558.5 Ų58.544%0.44429%0.286SS..Hα-helixtrans-56.5-38172.6-174.4-176.8165.600111.6G13 M65 A66 A67G13-E63 WeakPolarHBondContact CA-OE1 3.16Å; E63-M65 VanDerWaalsContact C-N 3.27Å; E63-M65 PolarHBondContact O-N 3.47Å; E63-A66 WeakPolarHBondContact O-CB 3.44Å; E63-A66 PolarHBondContact O-N 3.45Å; E63-A66 VanDerWaalsContact O-N 3.17Å; E63-A67 PolarHBondContact O-N 3.37Å
64N85.3Confident85.5Confident116 Ų11655.9 Ų55.962%0.6228%0.275SS*.Hα-helixtrans-64-32.1175.8-68.7-22.7000112.6S62 K68S62-N64 PolarHBondContact O-N 2.81Å; S62-N64 PolarHBondContact OG-N 2.94Å; N64-K68 VanDerWaalsContact O-CG 3.3Å; N64-K68 WeakPolarHBondContact O-CG 3.29Å; N64-K68 PolarHBondContact O-N 3.29Å
65M84.8Confident85.6Confident78 Ų7860.4 Ų60.438%0.38430%0.296SS..Hα-helixtrans-76.9-38.7174.3-67.9-173.869.200111.2F60 K61 S62 E63 K68 A69F60-M65 HydrophobicContact CB-CB 4.29Å; F60-M65 HydrophobicContact CD1-CB 4.46Å; K61-M65 HydrophobicContact CB-SD 4.32Å; S62-M65 WeakPolarHBondContact O-CB 3.08Å; S62-M65 PolarHBondContact O-N 3.32Å; E63-M65 VanDerWaalsContact C-N 3.27Å; E63-M65 PolarHBondContact O-N 3.47Å; M65-K68 PolarHBondContact O-N 3.47Å; M65-A69 VanDerWaalsContact O-CB 3.3Å; M65-A69 WeakPolarHBondContact O-CB 3.48Å; M65-A69 PolarHBondContact O-N 3.25Å
66A86.6Confident85.5Confident0 Ų063 Ų630%031%0.31CS..Hα-helixtrans-60.8-43.5173.800000111.3L17 F60 S62 E63 K68 A69 L70 F87L17-A66 WeakPolarHBondContact CD1-O 3.33Å; L17-A66 HydrophobicContact CD2-CB 4.22Å; L17-A66 HydrophobicContact CG-CB 4.27Å; F60-A66 HydrophobicContact CB-CB 4.05Å; F60-A66 HydrophobicContact CD2-CB 3.97Å; F60-A66 HydrophobicContact CG-CB 4.15Å; S62-A66 PolarHBondContact O-N 3.4Å; E63-A66 WeakPolarHBondContact O-CB 3.44Å; E63-A66 PolarHBondContact O-N 3.45Å; E63-A66 VanDerWaalsContact O-N 3.17Å; A66-K68 PolarHBondContact O-N 2.96Å; A66-A69 PolarHBondContact O-N 3.37Å; A66-L70 WeakPolarHBondContact O-CB 3.24Å; A66-L70 PolarHBondContact O-N 2.83Å; A66-F87 HydrophobicContact CB-CE1 4.18Å
67A85.9Confident85.2Confident47 Ų4770 Ų7039%0.38834%0.342SS..Hα-helixtrans-63.6-41.1176.100000112.7E63 L70 S71 F87E63-A67 PolarHBondContact O-N 3.37Å; A67-L70 PolarHBondContact O-N 3.05Å; A67-S71 PolarHBondContact O-N 3.16Å; A67-S71 PolarHBondContact O-OG 3.01Å; A67-F87 HydrophobicContact CB-CZ 4.49Å
68K85.8Confident84.7Confident133 Ų13369.8 Ų69.858%0.57834%0.343SS*.Hα-helixtrans-66.7-36174-75.3176.1-177.8-179.50112.8N64 M65 A66 S71 R72N64-K68 VanDerWaalsContact O-CG 3.3Å; N64-K68 WeakPolarHBondContact O-CG 3.29Å; N64-K68 PolarHBondContact O-N 3.29Å; M65-K68 PolarHBondContact O-N 3.47Å; A66-K68 PolarHBondContact O-N 2.96Å; K68-S71 PolarHBondContact O-OG 3.49Å; K68-S71 VanDerWaalsContact O-OG 3.12Å; K68-R72 WeakPolarHBondContact O-CB 3.23Å; K68-R72 WeakPolarHBondContact O-CD 3.27Å; K68-R72 VanDerWaalsContact O-CG 3.26Å; K68-R72 WeakPolarHBondContact O-CG 3.2Å; K68-R72 PolarHBondContact O-N 3.01Å
69A85.7Confident83.7Confident2 Ų274.4 Ų74.42%0.01737%0.367CS..Hα-helixtrans-71.8-39.6176.500000110.8L17 F60 M65 A66 R72 L73L17-A69 HydrophobicContact CD1-CB 3.89Å; F60-A69 HydrophobicContact CD1-CB 4.09Å; F60-A69 HydrophobicContact CE1-CB 3.35Å; F60-A69 HydrophobicContact CE2-CB 4.12Å; F60-A69 HydrophobicContact CZ-CB 3.38Å; M65-A69 VanDerWaalsContact O-CB 3.3Å; M65-A69 WeakPolarHBondContact O-CB 3.48Å; M65-A69 PolarHBondContact O-N 3.25Å; A66-A69 PolarHBondContact O-N 3.37Å; A69-R72 PolarHBondContact O-N 3.49Å; A69-L73 HydrophobicContact CB-CD1 4.31Å; A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 WeakPolarHBondContact O-CG 3.25Å; A69-L73 PolarHBondContact O-N 3.1Å
70L86.9Confident82.9Confident39 Ų3979.3 Ų79.320%0.20440%0.398CS..Hα-helixtrans-60.2-51.2174.1-172.3158.4000110.7L17 A66 A67 R72 L73 H74 V85 F87L17-L70 HydrophobicContact CD1-CB 4.13Å; L17-L70 HydrophobicContact CD2-CB 4.27Å; L17-L70 HydrophobicContact CD2-CD1 4.17Å; A66-L70 WeakPolarHBondContact O-CB 3.24Å; A66-L70 PolarHBondContact O-N 2.83Å; A67-L70 PolarHBondContact O-N 3.05Å; L70-R72 PolarHBondContact O-N 3.44Å; L70-R72 VanDerWaalsContact O-N 3.16Å; L70-L73 PolarHBondContact O-N 3.39Å; L70-H74 HydrophobicContact CD2-CB 4.18Å; L70-H74 WeakPolarHBondContact O-CA 3.36Å; L70-H74 WeakPolarHBondContact O-CB 3.34Å; L70-H74 PolarHBondContact O-N 2.95Å; L70-V85 HydrophobicContact CB-CG1 4.41Å; L70-V85 HydrophobicContact CG-CB 4.47Å; L70-V85 HydrophobicContact CG-CG1 4.19Å; L70-F87 HydrophobicContact CD1-CD2 3.63Å; L70-F87 HydrophobicContact CD1-CE1 4.38Å; L70-F87 HydrophobicContact CD1-CE2 3.4Å; L70-F87 VanDerWaalsContact CD1-CE2 3.4Å; L70-F87 HydrophobicContact CD1-CG 4.22Å; L70-F87 HydrophobicContact CD1-CZ 3.81Å
71S84.6Confident82.4Confident87 Ų8782.5 Ų82.561%0.60841%0.413SS*.Hα-helixtrans-63.4-23.7-178.763.50000114A67 K68A67-S71 PolarHBondContact O-N 3.16Å; A67-S71 PolarHBondContact O-OG 3.01Å; K68-S71 PolarHBondContact O-OG 3.49Å; K68-S71 VanDerWaalsContact O-OG 3.12Å
72R83.1Confident82.3Confident168 Ų16879 Ų7963%0.63440%0.403SS*.Hα-helixtrans-92.3-34.9178.4-70.8177.1177-180-2.7114F38 K68 A69 L70 L76F38-R72 HydrophobicContact CD1-CB 4.24Å; F38-R72 HydrophobicContact CE1-CB 4.09Å; K68-R72 WeakPolarHBondContact O-CB 3.23Å; K68-R72 WeakPolarHBondContact O-CD 3.27Å; K68-R72 VanDerWaalsContact O-CG 3.26Å; K68-R72 WeakPolarHBondContact O-CG 3.2Å; K68-R72 PolarHBondContact O-N 3.01Å; A69-R72 PolarHBondContact O-N 3.49Å; L70-R72 PolarHBondContact O-N 3.44Å; L70-R72 VanDerWaalsContact O-N 3.16Å; R72-L76 WeakPolarHBondContact O-CD1 3.31Å
73L84.3Confident82.3Confident0 Ų076.8 Ų76.80%039%0.388CS..Hα-helixtrans-89.8-29.4-177.9-72.7165.9000112.4L35 F38 A69 L70 Q75 L76 L83 V85L35-L73 HydrophobicContact CD2-CD1 3.96Å; F38-L73 HydrophobicContact CB-CD1 4.18Å; F38-L73 HydrophobicContact CB-CG 4.45Å; F38-L73 HydrophobicContact CD1-CD2 4.36Å; F38-L73 HydrophobicContact CD1-CG 4.29Å; F38-L73 HydrophobicContact CD2-CD2 3.57Å; F38-L73 HydrophobicContact CD2-CG 4.23Å; F38-L73 HydrophobicContact CE1-CD2 4.48Å; F38-L73 HydrophobicContact CE2-CD2 3.73Å; F38-L73 HydrophobicContact CG-CD1 4.33Å; F38-L73 HydrophobicContact CG-CD2 3.92Å; F38-L73 HydrophobicContact CG-CG 4.07Å; F38-L73 HydrophobicContact CZ-CD2 4.19Å; A69-L73 HydrophobicContact CB-CD1 4.31Å; A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 WeakPolarHBondContact O-CG 3.25Å; A69-L73 PolarHBondContact O-N 3.1Å; L70-L73 PolarHBondContact O-N 3.39Å; L73-Q75 PolarHBondContact O-N 2.97Å; L73-L76 WeakPolarHBondContact O-CB 3.47Å; L73-L76 PolarHBondContact O-N 3.17Å; L73-L83 HydrophobicContact CD2-CD1 4.43Å; L73-V85 HydrophobicContact CB-CG2 3.62Å
74H82.7Confident82.2Confident73 Ų7375.7 Ų75.734%0.33838%0.384SS..THydrogen-bonded Turntrans-62.6125.1177.1-177.3-100.8000109.6L70 L76 V85L70-H74 HydrophobicContact CD2-CB 4.18Å; L70-H74 WeakPolarHBondContact O-CA 3.36Å; L70-H74 WeakPolarHBondContact O-CB 3.34Å; L70-H74 PolarHBondContact O-N 2.95Å; H74-L76 PolarHBondContact O-N 3.39Å; H74-V85 HydrophobicContact CB-CB 4.35Å
75Q82.3Confident82.1Confident139 Ų13970.4 Ų70.465%0.6536%0.356SS*.THydrogen-bonded Turntrans66.712.4-176.8-60.4171.2-5.600115.8L73 Q77 L83L73-Q75 PolarHBondContact O-N 2.97Å; Q75-Q77 PolarHBondContact O-N 3.34Å; Q75-L83 WeakPolarHBondContact CA-O 3.42Å; Q75-L83 PolarHBondContact N-O 3.35Å
76L83.3Confident82.2Confident56 Ų5671.8 Ų71.829%0.29336%0.362SS..  trans-70.1130.7173-165.7146.8000109.8F38 R72 L73 H74 I78 L83F38-L76 HydrophobicContact CZ-CD1 4.15Å; R72-L76 WeakPolarHBondContact O-CD1 3.31Å; L73-L76 WeakPolarHBondContact O-CB 3.47Å; L73-L76 PolarHBondContact O-N 3.17Å; H74-L76 PolarHBondContact O-N 3.39Å; L76-I78 HydrophobicContact CD2-CD1 3.73Å; L76-I78 HydrophobicContact CD2-CG1 3.33Å; L76-L83 WeakPolarHBondContact O-CG 3.43Å; L76-L83 PolarHBondContact O-N 3.34Å
77Q79.9Confident82.2Confident147 Ų14774.2 Ų74.269%0.68737%0.372SS*.EExtended strand (participates in β ladder)trans-91.4121.6179.8-74.9-177.9-20.500110.7Q75 Q81 T82Q75-Q77 PolarHBondContact O-N 3.34Å; Q77-Q81 WeakPolarHBondContact CA-O 3.4Å; Q77-T82 HydrophobicContact CG-CG2 3.63Å
78I77.1Confident81.7Confident30 Ų3072.2 Ų72.215%0.15436%0.356CS..EExtended strand (participates in β ladder)trans-127.8122.1172.6-52.4-173.6000107.3P23 L34 L76 D80 Q81 L83P23-I78 HydrophobicContact CG-CB 4.16Å; P23-I78 HydrophobicContact CG-CG2 4.09Å; P23-I78 VanDerWaalsContact CG-O 3.29Å; P23-I78 WeakPolarHBondContact CG-O 3.27Å; L34-I78 HydrophobicContact CD1-CD1 3.96Å; L34-I78 HydrophobicContact CD2-CD1 3.3Å; L34-I78 HydrophobicContact CG-CD1 4.27Å; L76-I78 HydrophobicContact CD2-CD1 3.73Å; L76-I78 HydrophobicContact CD2-CG1 3.33Å; I78-D80 VanDerWaalsContact C-N 3.31Å; I78-D80 PolarHBondContact O-N 2.74Å; I78-Q81 PolarHBondContact N-O 3.36Å; I78-Q81 PolarHBondContact O-N 3.34Å; I78-L83 HydrophobicContact CD1-CD1 3.78Å; I78-L83 HydrophobicContact CG1-CD1 4.28Å
79L65.3Low80.4Confident96 Ų9674.2 Ų74.250%0.50337%0.367SS..THydrogen-bonded Turntrans46.253.8177.4-59.3171.6000112P23 E25 Q81P23-L79 HydrophobicContact CB-CB 4.4Å; P23-L79 HydrophobicContact CB-CD1 4.39Å; P23-L79 HydrophobicContact CG-CB 4.28Å; E25-L79 HydrophobicContact CB-CD1 4.47Å; L79-Q81 PolarHBondContact O-N 3.05Å; L79-Q81 VanDerWaalsContact O-N 3.13Å
80D71.5Confident79Confident168 Ų16877.3 Ų77.390%0.89840%0.4SS*.THydrogen-bonded Turntrans62.712.5179.7-58.3-26.6000116.9I78I78-D80 VanDerWaalsContact C-N 3.31Å; I78-D80 PolarHBondContact O-N 2.74Å
81Q77.1Confident77.5Confident70 Ų7079.3 Ų79.333%0.32741%0.408SS..EExtended strand (participates in β ladder)trans-111.8128.7170.5-58.4-168.44.100111.3H21 P23 Q77 I78 L79H21-Q81 PolarHBondContact O-OE1 3.4Å; P23-Q81 HydrophobicContact CG-CB 4.26Å; P23-Q81 HydrophobicContact CG-CG 4.5Å; Q77-Q81 WeakPolarHBondContact CA-O 3.4Å; I78-Q81 PolarHBondContact N-O 3.36Å; I78-Q81 PolarHBondContact O-N 3.34Å; L79-Q81 PolarHBondContact O-N 3.05Å; L79-Q81 VanDerWaalsContact O-N 3.13Å
82T83.4Confident75.6Confident68 Ų6878.3 Ų78.342%0.41740%0.396SS..EExtended strand (participates in β ladder)trans-82.1120.4171.251.70000109.8Q77Q77-T82 HydrophobicContact CG-CG2 3.63Å
83L84.6Confident73.6Confident0 Ų077.6 Ų77.60%041%0.405CS..  trans-70.4133.1175.5-60.4-178.2000110.7V19 H21 L22 L73 Q75 L76 I78V19-L83 HydrophobicContact CG1-CB 4.5Å; V19-L83 HydrophobicContact CG1-CD1 4.49Å; V19-L83 HydrophobicContact CG1-CD2 4.34Å; H21-L83 WeakPolarHBondContact O-CD2 3.41Å; L22-L83 HydrophobicContact CD2-CD2 3.84Å; L22-L83 HydrophobicContact CG-CD2 4.15Å; L73-L83 HydrophobicContact CD2-CD1 4.43Å; Q75-L83 WeakPolarHBondContact CA-O 3.42Å; Q75-L83 PolarHBondContact N-O 3.35Å; L76-L83 WeakPolarHBondContact O-CG 3.43Å; L76-L83 PolarHBondContact O-N 3.34Å; I78-L83 HydrophobicContact CD1-CD1 3.78Å; I78-L83 HydrophobicContact CG1-CD1 4.28Å
84I85.3Confident71.7Confident72 Ų7282.9 Ų82.937%0.36943%0.432SS..EExtended strand (participates in β ladder)trans-108.7119.5171.5-57.4-179.7000107.7R20R20-I84 HydrophobicContact CB-CB 4.4Å; R20-I84 PolarHBondContact N-O 3.11Å; R20-I84 PolarHBondContact O-N 3.48Å; R20-I84 VanDerWaalsContact O-N 3.08Å
85V85Confident69.6Low6 Ų685.6 Ų85.64%0.03645%0.454CS..EExtended strand (participates in β ladder)trans-115.6123.7-178.8-1740000109.9L17 L18 V19 L70 L73 H74L17-V85 HydrophobicContact CB-CG1 3.89Å; L17-V85 HydrophobicContact CD1-CG1 3.84Å; L17-V85 HydrophobicContact CD2-CG1 4.42Å; L17-V85 HydrophobicContact CG-CG1 4.28Å; L18-V85 WeakPolarHBondContact O-CA 3.19Å; V19-V85 HydrophobicContact CB-CG2 4.37Å; V19-V85 HydrophobicContact CG1-CG2 4.11Å; V19-V85 HydrophobicContact CG2-CG1 4.21Å; V19-V85 HydrophobicContact CG2-CG2 3.93Å; L70-V85 HydrophobicContact CB-CG1 4.41Å; L70-V85 HydrophobicContact CG-CB 4.47Å; L70-V85 HydrophobicContact CG-CG1 4.19Å; L73-V85 HydrophobicContact CB-CG2 3.62Å; H74-V85 HydrophobicContact CB-CB 4.35Å
86E85.9Confident67.5Low107 Ų10783.7 Ų83.750%0.545%0.452SS..EExtended strand (participates in β ladder)trans-127.3148.7-178.2-166-178.917800109.8L18 A88L18-E86 PolarHBondContact N-O 3.48Å; L18-E86 PolarHBondContact O-N 3.25Å; E86-A88 PolarHBondContact O-N 3.5Å
87F85.6Confident65.2Low50 Ų5088.8 Ų88.822%0.21948%0.478CS..EExtended strand (participates in β ladder)trans-66.2132.5170.6-74.6-72.7000110.1S14 L17 A66 A67 L70 Q89S14-F87 VanDerWaalsContact O-CD1 3.27Å; S14-F87 WeakPolarHBondContact O-CD1 3.47Å; S14-F87 WeakPolarHBondContact O-CE1 3.45Å; L17-F87 HydrophobicContact CD2-CD1 3.46Å; L17-F87 VanDerWaalsContact CD2-CD1 3.46Å; L17-F87 HydrophobicContact CD2-CE1 3.59Å; L17-F87 HydrophobicContact CD2-CG 4.19Å; L17-F87 HydrophobicContact CD2-CZ 4.4Å; A66-F87 HydrophobicContact CB-CE1 4.18Å; A67-F87 HydrophobicContact CB-CZ 4.49Å; L70-F87 HydrophobicContact CD1-CD2 3.63Å; L70-F87 HydrophobicContact CD1-CE1 4.38Å; L70-F87 HydrophobicContact CD1-CE2 3.4Å; L70-F87 VanDerWaalsContact CD1-CE2 3.4Å; L70-F87 HydrophobicContact CD1-CG 4.22Å; L70-F87 HydrophobicContact CD1-CZ 3.81Å; F87-Q89 PolarHBondContact O-N 3.45Å; F87-Q89 VanDerWaalsContact O-N 3.14Å
88A76.1Confident63.2Low5 Ų591 Ų914%0.04149%0.486CS..  trans-75.2105.4178.400000110S14 T16 F57 E86 G90S14-A88 PolarHBondContact OG-O 3.02Å; T16-A88 HydrophobicContact CG2-CB 3.95Å; T16-A88 WeakPolarHBondContact O-CB 3.43Å; T16-A88 PolarHBondContact O-N 2.89Å; F57-A88 HydrophobicContact CD1-CB 4.1Å; F57-A88 HydrophobicContact CE1-CB 3.72Å; E86-A88 PolarHBondContact O-N 3.5Å; A88-G90 PolarHBondContact O-N 3.22Å
89Q58.3Low61Low175 Ų17596.9 Ų96.982%0.81852%0.518SS*.THydrogen-bonded Turntrans-68.3102.2178.9-162.7171.511.100110.5F87F87-Q89 PolarHBondContact O-N 3.45Å; F87-Q89 VanDerWaalsContact O-N 3.14Å
90G56.3Low59.5Low68 Ų6897.7 Ų97.770%0.70153%0.529SS*.THydrogen-bonded Turntrans107.325.6165.500000118.5A88A88-G90 PolarHBondContact O-N 3.22Å
91Q55.1Low58.1Low81 Ų8195.1 Ų95.138%0.37952%0.521SS..  trans-131.247.2-178.8-78.2165.5-12.900114.4N93Q91-N93 VanDerWaalsContact C-N 3.31Å; Q91-N93 PolarHBondContact O-N 3.41Å
92D45.3Very low56Low65 Ų6598.6 Ų98.635%0.34855%0.547SS..  trans-81.2-2.8177.4-70.1-47.1000114.5R15R15-D92 PolarHBondContact N-OD1 2.91Å; R15-D92 VanDerWaalsContact N-OD1 3.07Å
93N41.5Very low53.4Low154 Ų154100.4 Ų100.482%0.82456%0.562SS**  trans-127.265.3-179.4-67.8-41.1000114Q91Q91-N93 VanDerWaalsContact C-N 3.31Å; Q91-N93 PolarHBondContact O-N 3.41Å
94L43.6Very low51.1Low110 Ų110108.3 Ų108.358%0.57661%0.605SS**  trans-11393.8160.9-75.3169.2000108.9
95T38.4Very low48.4Very low131 Ų131108.4 Ų108.480%0.80462%0.623SS**PPolyproline II helixtrans-68.9125161.935.60000108.6L97T95-L97 PolarHBondContact O-N 3.21Å
96V39.9Very low45.8Very low99 Ų99117.5 Ų117.560%0.667%0.665SS**PPolyproline II helixtrans-65.1116.2178.4174.30000109.1
97L34.6Very low43Very low162 Ų162119.3 Ų119.385%0.84868%0.683SS**PPolyproline II helixtrans-85.6125.2155.1-75.1171.9000107.6T95T95-L97 PolarHBondContact O-N 3.21Å
98K36.3Very low40.6Very low195 Ų195126.1 Ų126.185%0.84871%0.713SS**PPolyproline II helixtrans-81.7120.3173.9-136.3175.3-179-179.10106.6
99D31.7Very low38.2Very low152 Ų152135.4 Ų135.481%0.81376%0.755SS**PPolyproline II helixtrans-71.4146.1176.4-66-34.1000111.6
100P34.9Very low37Very low114 Ų114136.7 Ų136.774%0.7476%0.758SS**  trans-130.1179.9133.545.4-33.9000109.6
101P41.4Very low35.7Very low113 Ų113142.8 Ų142.873%0.73477%0.768SS**  -101.3152-112.29.614.5000113.3
102V32.7Very low34.7Very low143 Ų143149 Ų14987%0.86779%0.794SS**  trans69.4130.7151.3-174.50000118.3
103S28.9Very low33.9Very low106 Ų106152.4 Ų152.474%0.74182%0.817SS**  trans88.399.9159.9-125.30000118.4
104D36.7Very low33.4Very low167 Ų167154.4 Ų154.489%0.89382%0.822SS**  trans22.4110138.4-78.7-32.4000118.2
105G28.2Very low32.9Very low74 Ų74156.1 Ų156.176%0.76383%0.827SS**  trans179.886.8168.200000112.5V107G105-V107 PolarHBondContact O-N 3.02Å
106H29.6Very low32.6Very low197 Ų197160.1 Ų160.191%0.91283%0.833SS**  trans-59.9121.3167.8-81.7131.4000111.3
107V28.9Very low32.5Very low144 Ų144163.6 Ų163.687%0.87384%0.84SS**  trans-129.3130.8148-179.30000109.6G105G105-V107 PolarHBondContact O-N 3.02Å
108K34.6Very low32.4Very low194 Ų194163.5 Ų163.584%0.84384%0.835SS**  trans-76.1146.4-178.4-67.2164.1175.5164.70110.7
109E26.3Very low32.5Very low200 Ų200159.4 Ų159.494%0.93583%0.829SS**  trans-134.9147.8139.7-110.6-172.2172.300112.8
110K32.2Very low32.8Very low201 Ų201162 Ų16287%0.87483%0.833SS**  trans-81.1142.4-160.7-69.6162.3173165.90111.9
111Q29.3Very low33.2Very low196 Ų196161.3 Ų161.392%0.91682%0.822SS**  trans-130.2134.6144.2-76.7-171.1-5.700111.1
112K33.9Very low33.3Very low212 Ų212161 Ų16192%0.92282%0.82SS**  trans-71.9129.7175.3-84.2171.7169.1174.30109.8
113T27.7Very low33.8Very low137 Ų137160.1 Ų160.184%0.8481%0.809SS**  trans-141.6137.4150-46.70000107.7
114Q32.4Very low34.9Very low195 Ų195160 Ų16091%0.91180%0.799SS**  trans-62.8141.6-165.5-75.1169.1-22.300113.8
115E31.6Very low35.5Very low146 Ų146160.4 Ų160.468%0.68280%0.796SS**  trans-79.6121.8-165.5-62.2179.9143.100113.9K117E115-K117 HydrophobicContact CB-CG 4.1Å; E115-K117 WeakPolarHBondContact OE2-CE 3.34Å; E115-K117 IonicContact OE2-NZ 3.44Å
116F33.6Very low36.6Very low215 Ų215161 Ų16194%0.94378%0.784SS**  trans-88.8105.2140.5-103.3-91.5000107.2Q118F116-Q118 PolarHBondContact O-N 3.11Å
117K37.2Very low37.7Very low172 Ų172152.3 Ų152.375%0.74875%0.748SS**  trans-68.597.9-175.7-71.7178179.91730111.1E115E115-K117 HydrophobicContact CB-CG 4.1Å; E115-K117 WeakPolarHBondContact OE2-CE 3.34Å; E115-K117 IonicContact OE2-NZ 3.44Å
118Q32.3Very low39Very low160 Ų160151 Ų15175%0.74874%0.74SS**  trans-74.1131.7154.2-68-168.7-4.200108.5F116 K120F116-Q118 PolarHBondContact O-N 3.11Å; Q118-K120 PolarHBondContact O-N 3.45Å
119P38.4Very low39.6Very low110 Ų110142.8 Ų142.871%0.71471%0.708SS**  trans-63.1123178.525.1-31.6000109.5I121P119-I121 PolarHBondContact O-N 3.18Å
120K37.7Very low41Very low205 Ų205135 Ų13589%0.89167%0.674SS**  trans-64.894.5173.8-71176-179.5174.30109Q118Q118-K120 PolarHBondContact O-N 3.45Å
121I43.3Very low42Very low101 Ų101132.8 Ų132.852%0.51867%0.672SS.*  trans-77.8127.1165.9-58.8166.7000106.5P119 I123 P140P119-I121 PolarHBondContact O-N 3.18Å; I121-I123 PolarHBondContact O-N 3.27Å; I121-P140 HydrophobicContact CB-CB 3.82Å; I121-P140 HydrophobicContact CG2-CB 3.69Å
122P43Very low43.3Very low105 Ų105125.9 Ų125.968%0.68264%0.641SS**  trans-60.7127179.722.6-31.1000110.6I124P122-I124 PolarHBondContact O-N 3.33Å
123I43.9Very low44.1Very low125 Ų125118.6 Ų118.664%0.64163%0.626SS**  trans-67.8110.6171.6-64.7162.9000106.6I121 E125 P140I121-I123 PolarHBondContact O-N 3.27Å; I123-E125 HydrophobicContact CG2-CG 4.48Å; I123-E125 PolarHBondContact O-N 3.43Å; I123-E125 VanDerWaalsContact O-N 3.13Å; I123-P140 HydrophobicContact CG1-CG 3.91Å
124I52Low45.3Very low104 Ų104116.5 Ų116.553%0.53361%0.608SS.*  trans-76.998.1174.4-55.2172000106.5P122 T126P122-I124 PolarHBondContact O-N 3.33Å; I124-T126 VanDerWaalsContact CG2-O 3.22Å; I124-T126 WeakPolarHBondContact CG2-O 3.43Å; I124-T126 PolarHBondContact O-N 3Å; I124-T126 VanDerWaalsContact O-N 3.14Å
125E49.6Very low45.9Very low176 Ų176115.9 Ų115.982%0.82260%0.597SS**  trans-67-3176.1-82.7-177.3152.100114.1I123I123-E125 HydrophobicContact CG2-CG 4.48Å; I123-E125 PolarHBondContact O-N 3.43Å; I123-E125 VanDerWaalsContact O-N 3.13Å
126T50.4Low46.9Very low85 Ų85116.6 Ų116.652%0.52160%0.598SS.*SBendtrans-109.1110.5173.545.50000108.9I124 P130I124-T126 VanDerWaalsContact CG2-O 3.22Å; I124-T126 WeakPolarHBondContact CG2-O 3.43Å; I124-T126 PolarHBondContact O-N 3Å; I124-T126 VanDerWaalsContact O-N 3.14Å; T126-P130 HydrophobicContact CG2-CG 3.77Å
127G52.7Low48Very low15 Ų15114.1 Ų114.116%0.15559%0.59CS.*  trans-49.6155161.800000109.7S129 P130G127-S129 WeakPolarHBondContact O-CA 3.48Å; G127-S129 PolarHBondContact O-N 3.08Å; G127-P130 VanDerWaalsContact O-CD 3.27Å; G127-P130 WeakPolarHBondContact O-CD 3.49Å
128V56.8Low48.8Very low117 Ų117108.9 Ų108.971%0.70957%0.574SS**SBendtrans-50.9-19.5-171.9-177.40000113.5
129S47.7Very low49.8Very low22 Ų22105.2 Ų105.215%0.15456%0.56CS.*  trans-151.7107158.3-161.80000113.4G127 N131 L132G127-S129 WeakPolarHBondContact O-CA 3.48Å; G127-S129 PolarHBondContact O-N 3.08Å; S129-N131 VanDerWaalsContact C-N 3.33Å; S129-N131 PolarHBondContact O-N 3.2Å; S129-L132 WeakPolarHBondContact OG-CD1 3.3Å
130P54.5Low50.9Low36 Ų36102 Ų10223%0.23454%0.539CS..G310 helixtrans-69.9-28.1179.8-19.133000113.7T126 G127 L132T126-P130 HydrophobicContact CG2-CG 3.77Å; G127-P130 VanDerWaalsContact O-CD 3.27Å; G127-P130 WeakPolarHBondContact O-CD 3.49Å; P130-L132 VanDerWaalsContact C-N 3.28Å; P130-L132 PolarHBondContact O-N 3.11Å
131N54.3Low52Low155 Ų15597 Ų9783%0.82953%0.526SS*.G310 helixtrans-77.3-12.1-174.8-65-14000113.4S129S129-N131 VanDerWaalsContact C-N 3.33Å; S129-N131 PolarHBondContact O-N 3.2Å
132L57.3Low53Low50 Ų5096.6 Ų96.626%0.26252%0.524SS..G310 helixtrans-102.28.8-179.3-79.390.7000113.3S129 P130 M134 K166S129-L132 WeakPolarHBondContact OG-CD1 3.3Å; P130-L132 VanDerWaalsContact C-N 3.28Å; P130-L132 PolarHBondContact O-N 3.11Å; L132-M134 VanDerWaalsContact C-N 3.3Å; L132-M134 PolarHBondContact O-N 3.21Å; L132-K166 HydrophobicContact CB-CD 4.07Å; L132-K166 HydrophobicContact CD2-CB 3.39Å; L132-K166 HydrophobicContact CD2-CD 3.75Å; L132-K166 HydrophobicContact CD2-CG 3.57Å; L132-K166 HydrophobicContact CG-CD 4.14Å; L132-K166 HydrophobicContact CG-CG 4.49Å
133G50.3Low54Low59 Ų59101.4 Ų101.461%0.60853%0.534SS*.THydrogen-bonded Turntrans82.10.7176.100000114.9R135G133-R135 PolarHBondContact O-N 3.47Å; G133-R135 VanDerWaalsContact O-N 3.11Å
134M51.5Low55.2Low94 Ų94102.7 Ų102.746%0.46353%0.532SS..  trans-83.883.7179.4-67.7-76.4-69.300110.1L132 F136L132-M134 VanDerWaalsContact C-N 3.3Å; L132-M134 PolarHBondContact O-N 3.21Å; M134-F136 VanDerWaalsContact C-N 3.31Å; M134-F136 PolarHBondContact O-N 3.05Å; M134-F136 VanDerWaalsContact O-N 3.17Å
135R45.4Very low56.2Low182 Ų182106 Ų10669%0.68755%0.55SS*.  trans-87.465.7178.1-60.8-71170.8151.7-2.5110.8G133G133-R135 PolarHBondContact O-N 3.47Å; G133-R135 VanDerWaalsContact O-N 3.11Å
136F53.5Low57.7Low161 Ų161106.1 Ų106.171%0.70654%0.544SS*.  trans-97.5122.2170.4-95.7-87.3000110.5M134 S138M134-F136 VanDerWaalsContact C-N 3.31Å; M134-F136 PolarHBondContact O-N 3.05Å; M134-F136 VanDerWaalsContact O-N 3.17Å; F136-S138 PolarHBondContact O-N 3.06Å
137H55.4Low59.2Low163 Ų163106.9 Ų106.976%0.75555%0.55SS**  trans-82.3110.7176.9-58.987.9000108.8N139H137-N139 PolarHBondContact O-N 3.43Å; H137-N139 VanDerWaalsContact O-N 3.16Å
138S54.3Low60.6Low61 Ų61110.8 Ų110.843%0.42757%0.573SS.*  trans-72.9105.3176.3-55.40000109.1F136 P140F136-S138 PolarHBondContact O-N 3.06Å; S138-P140 WeakPolarHBondContact O-CD 3.37Å
139N54.1Low61.8Low83 Ų83109.2 Ų109.244%0.44457%0.565SS.*  trans-76.6117.3174.5-172.8-30.7000109.6H137 T141 L142H137-N139 PolarHBondContact O-N 3.43Å; H137-N139 VanDerWaalsContact O-N 3.16Å; N139-T141 PolarHBondContact O-N 3.41Å; N139-T141 PolarHBondContact OD1-N 3.22Å; N139-T141 PolarHBondContact OD1-OG1 3.31Å; N139-L142 HydrophobicContact CB-CD1 3.83Å; N139-L142 HydrophobicContact CB-CG 4.02Å; N139-L142 PolarHBondContact O-N 3.15Å
140P61.6Low63.8Low43 Ų43111.3 Ų111.328%0.27958%0.58SS.*THydrogen-bonded Turntrans-69.4-10.8-17627.9-34.6000114.5I121 I123 S138I121-P140 HydrophobicContact CB-CB 3.82Å; I121-P140 HydrophobicContact CG2-CB 3.69Å; I123-P140 HydrophobicContact CG1-CG 3.91Å; S138-P140 WeakPolarHBondContact O-CD 3.37Å
141T61Low65.4Low100 Ų100115.5 Ų115.561%0.61360%0.6SS**THydrogen-bonded Turntrans-94.8-6.3178.566.80000113.7N139 K143N139-T141 PolarHBondContact O-N 3.41Å; N139-T141 PolarHBondContact OD1-N 3.22Å; N139-T141 PolarHBondContact OD1-OG1 3.31Å; T141-K143 PolarHBondContact O-N 3.3Å
142L63.5Low67.1Low92 Ų92110 Ų11048%0.48258%0.581SS.*  trans-87.5106.5177.2-67.8176.3000110.1N139 Y144N139-L142 HydrophobicContact CB-CD1 3.83Å; N139-L142 HydrophobicContact CB-CG 4.02Å; N139-L142 PolarHBondContact O-N 3.15Å; L142-Y144 HydrophobicContact CB-CD2 4.48Å; L142-Y144 HydrophobicContact CB-CE2 3.87Å; L142-Y144 WeakPolarHBondContact CD1-OH 3.34Å
143K64.3Low68.5Low206 Ų206111 Ų11190%0.89659%0.588SS**  trans-87.9105.9167.7-66-178.1-178.8-179.50108.2T141 L145T141-K143 PolarHBondContact O-N 3.3Å; K143-L145 PolarHBondContact O-N 3.29Å
144Y69Low70.3Confident152 Ų152111.7 Ų111.760%0.59658%0.578SS**  trans-79.4117.6172.6-64.1-82.7000108.9L142 Y146L142-Y144 HydrophobicContact CB-CD2 4.48Å; L142-Y144 HydrophobicContact CB-CE2 3.87Å; L142-Y144 WeakPolarHBondContact CD1-OH 3.34Å; Y144-Y146 VanDerWaalsContact CB-CE2 3.49Å; Y144-Y146 HydrophobicContact CG-CE2 4.41Å; Y144-Y146 PolarHBondContact O-N 3.33Å
145L73.4Confident72.1Confident173 Ų173109.7 Ų109.791%0.90657%0.571SS**  trans-84.8101.7166.8-166.980.5000107.1K143K143-L145 PolarHBondContact O-N 3.29Å
146Y81.4Confident74.2Confident180 Ų180106.1 Ų106.171%0.70657%0.566SS**PPolyproline II helixtrans-81.7139.7175.1-66.3-75.6000110Y144Y144-Y146 VanDerWaalsContact CB-CE2 3.49Å; Y144-Y146 HydrophobicContact CG-CE2 4.41Å; Y144-Y146 PolarHBondContact O-N 3.33Å
147P81.8Confident76Confident100 Ų100102.3 Ų102.365%0.64955%0.552SS**PPolyproline II helixtrans-57.2153.9169.1-2333.4000111.6
148P80.4Confident77.6Confident98 Ų9898 Ų9864%0.63654%0.537SS*.PPolyproline II helixtrans-58.7152173.925.8-33.9000111S150P148-S150 PolarHBondContact O-N 3.26Å
149P83.4Confident79.4Confident83 Ų83100.5 Ų100.554%0.53954%0.542SS..  trans-64.5100.5-174.927.1-34.9000111.1L154 M193P149-L154 HydrophobicContact CB-CD2 4.42Å; P149-M193 HydrophobicContact CG-CE 3.87Å
150S88.4Confident81.1Confident67 Ų6798.5 Ų98.547%0.46954%0.537SS..  trans-92.2150.7172.3175.30000110.8P148 G152 V153 L154P148-S150 PolarHBondContact O-N 3.26Å; S150-G152 PolarHBondContact O-N 2.91Å; S150-V153 PolarHBondContact O-N 3.12Å; S150-L154 WeakPolarHBondContact O-CG 3.48Å; S150-L154 PolarHBondContact O-N 3.14Å
151N88.6Confident82.4Confident123 Ų12398.1 Ų98.166%0.65853%0.532SS*.Hα-helixtrans-55.3-40.3178.6-168.4-40.3000111.9V153 L154 T155N151-V153 PolarHBondContact O-N 2.87Å; N151-L154 PolarHBondContact O-N 2.79Å; N151-T155 WeakPolarHBondContact O-CB 3.41Å; N151-T155 PolarHBondContact O-N 3.03Å; N151-T155 PolarHBondContact O-OG1 3.11Å; N151-T155 PolarHBondContact OD1-OG1 3.17Å
152G89.4Confident83.8Confident40 Ų4099.5 Ų99.541%0.41254%0.535SS..Hα-helixtrans-64.6-39.2176.400000113.4S150 N156S150-G152 PolarHBondContact O-N 2.91Å; G152-N156 WeakPolarHBondContact O-CB 3.39Å; G152-N156 PolarHBondContact O-N 2.58Å; G152-N156 PolarHBondContact O-ND2 3.37Å
153V87.8Confident85.1Confident70 Ų7098.8 Ų98.842%0.42454%0.542SS..Hα-helixtrans-67.7-43.6177.4177.40000110.6S150 N151 N156 I157S150-V153 PolarHBondContact O-N 3.12Å; N151-V153 PolarHBondContact O-N 2.87Å; V153-N156 PolarHBondContact O-N 2.84Å; V153-I157 HydrophobicContact CG1-CD1 4.03Å; V153-I157 VanDerWaalsContact O-CG1 3.29Å; V153-I157 WeakPolarHBondContact O-CG1 3.5Å; V153-I157 PolarHBondContact O-N 3.43Å
154L88.3Confident86.3Confident74 Ų7492.3 Ų92.339%0.38752%0.52SS..Hα-helixtrans-62.9-43.6177-66.3175.2000111.7P149 S150 N151 N156 I157 T158P149-L154 HydrophobicContact CB-CD2 4.42Å; S150-L154 WeakPolarHBondContact O-CG 3.48Å; S150-L154 PolarHBondContact O-N 3.14Å; N151-L154 PolarHBondContact O-N 2.79Å; L154-N156 PolarHBondContact O-N 3.3Å; L154-I157 WeakPolarHBondContact O-CB 3.43Å; L154-I157 PolarHBondContact O-N 3.22Å; L154-T158 PolarHBondContact O-N 3.31Å; L154-T158 PolarHBondContact O-OG1 2.88Å; L154-T158 VanDerWaalsContact O-OG1 3.08Å
155T89.7Confident87.1Confident53 Ų5389.5 Ų89.533%0.32552%0.52SS..Hα-helixtrans-61.6-43.4177.3-58.40000111.5N151 I157 T158 H159N151-T155 WeakPolarHBondContact O-CB 3.41Å; N151-T155 PolarHBondContact O-N 3.03Å; N151-T155 PolarHBondContact O-OG1 3.11Å; N151-T155 PolarHBondContact OD1-OG1 3.17Å; T155-I157 VanDerWaalsContact C-N 3.32Å; T155-I157 PolarHBondContact O-N 2.76Å; T155-T158 WeakPolarHBondContact O-CB 3.46Å; T155-T158 PolarHBondContact O-N 3.43Å; T155-H159 PolarHBondContact O-N 3.27Å
156N89.2Confident87.5Confident106 Ų10686.9 Ų86.957%0.56750%0.501SS*.Hα-helixtrans-63.5-37.4176-71.7-19.7000112.5G152 V153 L154 H159 A160G152-N156 WeakPolarHBondContact O-CB 3.39Å; G152-N156 PolarHBondContact O-N 2.58Å; G152-N156 PolarHBondContact O-ND2 3.37Å; V153-N156 PolarHBondContact O-N 2.84Å; L154-N156 PolarHBondContact O-N 3.3Å; N156-H159 PolarHBondContact O-N 3.2Å; N156-A160 PolarHBondContact O-N 3.27Å
157I90.8Very high87.9Confident81 Ų8181.8 Ų81.842%0.41548%0.483SS..Hα-helixtrans-64.7-43.5173.6-68164.4000110.3V153 L154 T155 H159 A160 L161V153-I157 HydrophobicContact CG1-CD1 4.03Å; V153-I157 VanDerWaalsContact O-CG1 3.29Å; V153-I157 WeakPolarHBondContact O-CG1 3.5Å; V153-I157 PolarHBondContact O-N 3.43Å; L154-I157 WeakPolarHBondContact O-CB 3.43Å; L154-I157 PolarHBondContact O-N 3.22Å; T155-I157 VanDerWaalsContact C-N 3.32Å; T155-I157 PolarHBondContact O-N 2.76Å; I157-H159 PolarHBondContact O-N 3.03Å; I157-A160 PolarHBondContact O-N 2.85Å; I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 HydrophobicContact CG2-CG 4.41Å; I157-L161 WeakPolarHBondContact O-CG 3.23Å; I157-L161 PolarHBondContact O-N 3.4Å
158T88.8Confident88.2Confident74 Ų7481.8 Ų81.845%0.45447%0.471SS..Hα-helixtrans-61.2-44.2176.1-56.50000111.7L154 T155 A160 L161 I162L154-T158 PolarHBondContact O-N 3.31Å; L154-T158 PolarHBondContact O-OG1 2.88Å; L154-T158 VanDerWaalsContact O-OG1 3.08Å; T155-T158 WeakPolarHBondContact O-CB 3.46Å; T155-T158 PolarHBondContact O-N 3.43Å; T158-A160 VanDerWaalsContact C-N 3.32Å; T158-A160 PolarHBondContact O-N 2.89Å; T158-L161 PolarHBondContact O-N 3.1Å; T158-I162 HydrophobicContact CG2-CD1 4.05Å; T158-I162 WeakPolarHBondContact O-CG1 3.21Å; T158-I162 PolarHBondContact O-N 3.45Å
159H92.3Very high88.5Confident112 Ų11280.1 Ų80.152%0.51946%0.458SS..Hα-helixtrans-58-43.9173.8-66.2167.1000111.8T155 N156 I157 L161 I162 A163T155-H159 PolarHBondContact O-N 3.27Å; N156-H159 PolarHBondContact O-N 3.2Å; I157-H159 PolarHBondContact O-N 3.03Å; H159-L161 PolarHBondContact O-N 3.43Å; H159-I162 PolarHBondContact O-N 2.85Å; H159-A163 WeakPolarHBondContact O-CB 3.43Å; H159-A163 PolarHBondContact O-N 3.49Å
160A89.3Confident88.5Confident41 Ų4177.3 Ų77.334%0.33944%0.438SS..Hα-helixtrans-65.5-36.3177.600000113N156 I157 T158 A163 V164N156-A160 PolarHBondContact O-N 3.27Å; I157-A160 PolarHBondContact O-N 2.85Å; T158-A160 VanDerWaalsContact C-N 3.32Å; T158-A160 PolarHBondContact O-N 2.89Å; A160-A163 PolarHBondContact O-N 3.37Å; A160-V164 PolarHBondContact O-N 3.04Å
161L90.5Very high88.6Confident35 Ų3576.2 Ų76.218%0.18343%0.428CS..Hα-helixtrans-66.5-39.2175.8-73.3167.9000112.2I157 T158 H159 F167 V171I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 HydrophobicContact CG2-CG 4.41Å; I157-L161 WeakPolarHBondContact O-CG 3.23Å; I157-L161 PolarHBondContact O-N 3.4Å; T158-L161 PolarHBondContact O-N 3.1Å; H159-L161 PolarHBondContact O-N 3.43Å; L161-F167 HydrophobicContact CD2-CD1 3.46Å; L161-F167 VanDerWaalsContact CD2-CD1 3.46Å; L161-F167 HydrophobicContact CD2-CE1 3.49Å; L161-F167 VanDerWaalsContact CD2-CE1 3.49Å; L161-F167 HydrophobicContact CD2-CG 4.26Å; L161-F167 HydrophobicContact CD2-CZ 4.31Å; L161-F167 HydrophobicContact CG-CD1 4.09Å; L161-F167 HydrophobicContact CG-CE1 3.91Å; L161-V171 HydrophobicContact CD2-CB 4.14Å; L161-V171 HydrophobicContact CD2-CG2 3.66Å
162I89Confident88.5Confident130 Ų13072 Ų7267%0.66741%0.406SS*.Hα-helixtrans-68.6-42.3175.8-65.3166.2000110.2T158 H159 V164T158-I162 HydrophobicContact CG2-CD1 4.05Å; T158-I162 WeakPolarHBondContact O-CG1 3.21Å; T158-I162 PolarHBondContact O-N 3.45Å; H159-I162 PolarHBondContact O-N 2.85Å; I162-V164 PolarHBondContact O-N 2.91Å
163A90.7Very high88.3Confident77 Ų7776.1 Ų76.164%0.63641%0.414SS*.Hα-helixtrans-71-29-176.700000114H159 A160H159-A163 WeakPolarHBondContact O-CB 3.43Å; H159-A163 PolarHBondContact O-N 3.49Å; A160-A163 PolarHBondContact O-N 3.37Å
164V90.8Very high88.3Confident70 Ų7077 Ų7742%0.42442%0.416SS..  trans-12494.7-174.8-172.50000111.2A160 I162 K166 F167 Y168A160-V164 PolarHBondContact O-N 3.04Å; I162-V164 PolarHBondContact O-N 2.91Å; V164-K166 HydrophobicContact CG1-CB 4.3Å; V164-K166 PolarHBondContact O-N 2.93Å; V164-K166 VanDerWaalsContact O-N 3.17Å; V164-F167 HydrophobicContact CB-CB 3.93Å; V164-F167 HydrophobicContact CG1-CB 3.8Å; V164-F167 WeakPolarHBondContact O-CB 3.42Å; V164-F167 PolarHBondContact O-N 2.95Å; V164-Y168 PolarHBondContact O-N 3.22Å; V164-Y168 VanDerWaalsContact O-N 3.16Å
165P85.7Confident88.2Confident92 Ų9275.8 Ų75.860%0.59741%0.409SS*.Hα-helixtrans-59-34.2-177.7-26.434.2000113.7F167 Y168 V169P165-F167 VanDerWaalsContact C-N 3.29Å; P165-F167 PolarHBondContact O-N 3.47Å; P165-Y168 PolarHBondContact O-N 3.17Å; P165-V169 VanDerWaalsContact O-CG2 3.26Å; P165-V169 WeakPolarHBondContact O-CG2 3.28Å; P165-V169 PolarHBondContact O-N 2.92Å; P165-V169 VanDerWaalsContact O-N 3.08Å
166K82.3Confident87.9Confident118 Ų11879 Ų7951%0.51342%0.424SS..Hα-helixtrans-62-35.6176.4-64.8-161.8173.9179.90112.5L132 V164 Q170L132-K166 HydrophobicContact CB-CD 4.07Å; L132-K166 HydrophobicContact CD2-CB 3.39Å; L132-K166 HydrophobicContact CD2-CD 3.75Å; L132-K166 HydrophobicContact CD2-CG 3.57Å; L132-K166 HydrophobicContact CG-CD 4.14Å; L132-K166 HydrophobicContact CG-CG 4.49Å; V164-K166 HydrophobicContact CG1-CB 4.3Å; V164-K166 PolarHBondContact O-N 2.93Å; V164-K166 VanDerWaalsContact O-N 3.17Å; K166-Q170 WeakPolarHBondContact O-CG 3.25Å; K166-Q170 PolarHBondContact O-N 3Å
167F87.8Confident87.6Confident73 Ų7382 Ų8232%0.3243%0.432SS..Hα-helixtrans-77-41.5178.4177.8-124.2000111.1L161 V164 P165 V169 Q170 V171L161-F167 HydrophobicContact CD2-CD1 3.46Å; L161-F167 VanDerWaalsContact CD2-CD1 3.46Å; L161-F167 HydrophobicContact CD2-CE1 3.49Å; L161-F167 VanDerWaalsContact CD2-CE1 3.49Å; L161-F167 HydrophobicContact CD2-CG 4.26Å; L161-F167 HydrophobicContact CD2-CZ 4.31Å; L161-F167 HydrophobicContact CG-CD1 4.09Å; L161-F167 HydrophobicContact CG-CE1 3.91Å; V164-F167 HydrophobicContact CB-CB 3.93Å; V164-F167 HydrophobicContact CG1-CB 3.8Å; V164-F167 WeakPolarHBondContact O-CB 3.42Å; V164-F167 PolarHBondContact O-N 2.95Å; P165-F167 VanDerWaalsContact C-N 3.29Å; P165-F167 PolarHBondContact O-N 3.47Å; F167-V169 VanDerWaalsContact C-N 3.34Å; F167-V169 PolarHBondContact O-N 3.25Å; F167-Q170 WeakPolarHBondContact O-CB 3.39Å; F167-Q170 PolarHBondContact O-N 3.26Å; F167-Q170 VanDerWaalsContact O-N 3.1Å; F167-V171 HydrophobicContact CD2-CG2 4.5Å; F167-V171 HydrophobicContact CE2-CG2 4.12Å; F167-V171 HydrophobicContact CZ-CG2 4.13Å; F167-V171 PolarHBondContact O-N 3.38Å
168Y88.2Confident86.8Confident101 Ų10184 Ų8440%0.39644%0.441SS..Hα-helixtrans-54-48.6172.6173.1-101.4000112.5V164 P165 Q170 V171 L172V164-Y168 PolarHBondContact O-N 3.22Å; V164-Y168 VanDerWaalsContact O-N 3.16Å; P165-Y168 PolarHBondContact O-N 3.17Å; Y168-Q170 VanDerWaalsContact C-N 3.29Å; Y168-Q170 PolarHBondContact O-N 2.82Å; Y168-V171 PolarHBondContact O-N 3.41Å; Y168-L172 HydrophobicContact CD1-CD1 4.06Å; Y168-L172 HydrophobicContact CE1-CD1 3.42Å; Y168-L172 VanDerWaalsContact CE1-CD1 3.42Å; Y168-L172 HydrophobicContact CE1-CG 4.25Å; Y168-L172 HydrophobicContact CE2-CD1 4.47Å; Y168-L172 PolarHBondContact O-N 3.05Å; Y168-L172 VanDerWaalsContact O-N 3.11Å
169V86.6Confident86.3Confident62 Ų6287.5 Ų87.538%0.37646%0.457SS..Hα-helixtrans-60.7-39.1177.8174.10000111.2P165 F167 L172 H173P165-V169 VanDerWaalsContact O-CG2 3.26Å; P165-V169 WeakPolarHBondContact O-CG2 3.28Å; P165-V169 PolarHBondContact O-N 2.92Å; P165-V169 VanDerWaalsContact O-N 3.08Å; F167-V169 VanDerWaalsContact C-N 3.34Å; F167-V169 PolarHBondContact O-N 3.25Å; V169-L172 PolarHBondContact O-N 3.07Å; V169-H173 WeakPolarHBondContact CG1-CE1 3.5Å; V169-H173 WeakPolarHBondContact CG1-ND1 3.34Å; V169-H173 PolarHBondContact O-N 3.28Å; V169-H173 PolarHBondContact O-ND1 2.83Å
170Q85.3Confident85.8Confident25 Ų2586.8 Ų86.812%0.11746%0.456CS..Hα-helixtrans-66.1-39.5177.1-72.9174.514.800112.6K166 F167 Y168 L172 H173 L174K166-Q170 WeakPolarHBondContact O-CG 3.25Å; K166-Q170 PolarHBondContact O-N 3Å; F167-Q170 WeakPolarHBondContact O-CB 3.39Å; F167-Q170 PolarHBondContact O-N 3.26Å; F167-Q170 VanDerWaalsContact O-N 3.1Å; Y168-Q170 VanDerWaalsContact C-N 3.29Å; Y168-Q170 PolarHBondContact O-N 2.82Å; Q170-L172 VanDerWaalsContact C-N 3.3Å; Q170-L172 PolarHBondContact O-N 3.45Å; Q170-H173 PolarHBondContact O-N 3.4Å; Q170-L174 WeakPolarHBondContact O-CB 3.37Å; Q170-L174 PolarHBondContact O-N 3.13Å
171V89.9Confident85.3Confident44 Ų4489.9 Ų89.927%0.26747%0.473SS..Hα-helixtrans-61.7-40.9175.5173.30000110.7L161 F167 Y168 L174 M175L161-V171 HydrophobicContact CD2-CB 4.14Å; L161-V171 HydrophobicContact CD2-CG2 3.66Å; F167-V171 HydrophobicContact CD2-CG2 4.5Å; F167-V171 HydrophobicContact CE2-CG2 4.12Å; F167-V171 HydrophobicContact CZ-CG2 4.13Å; F167-V171 PolarHBondContact O-N 3.38Å; Y168-V171 PolarHBondContact O-N 3.41Å; V171-L174 PolarHBondContact O-N 3.45Å; V171-M175 HydrophobicContact CG1-CG 4.46Å; V171-M175 HydrophobicContact CG1-SD 4.36Å; V171-M175 VanDerWaalsContact O-CG 3.3Å; V171-M175 WeakPolarHBondContact O-CG 3.42Å; V171-M175 PolarHBondContact O-N 3.22Å
172L87.2Confident84.7Confident35 Ų3592.5 Ų92.518%0.18349%0.493CS..Hα-helixtrans-62.3-44.9174.1-67.7176.3000112.9Y168 V169 Q170 L174 M175 N176 P183 F184Y168-L172 HydrophobicContact CD1-CD1 4.06Å; Y168-L172 HydrophobicContact CE1-CD1 3.42Å; Y168-L172 VanDerWaalsContact CE1-CD1 3.42Å; Y168-L172 HydrophobicContact CE1-CG 4.25Å; Y168-L172 HydrophobicContact CE2-CD1 4.47Å; Y168-L172 PolarHBondContact O-N 3.05Å; Y168-L172 VanDerWaalsContact O-N 3.11Å; V169-L172 PolarHBondContact O-N 3.07Å; Q170-L172 VanDerWaalsContact C-N 3.3Å; Q170-L172 PolarHBondContact O-N 3.45Å; L172-L174 VanDerWaalsContact C-N 3.29Å; L172-L174 PolarHBondContact O-N 3.41Å; L172-M175 PolarHBondContact O-N 2.62Å; L172-N176 PolarHBondContact O-N 3.48Å; L172-P183 HydrophobicContact CD2-CG 3.4Å; L172-P183 VanDerWaalsContact CD2-CG 3.4Å; L172-F184 HydrophobicContact CD1-CE1 4.03Å; L172-F184 HydrophobicContact CD1-CZ 3.93Å; L172-F184 HydrophobicContact CD2-CE1 4.11Å; L172-F184 HydrophobicContact CD2-CZ 3.98Å
173H84.2Confident84.3Confident126 Ų12689.7 Ų89.758%0.58348%0.483SS*.Hα-helixtrans-63-37.4175.9-74.288.1000111.8V169 Q170 N176 K177V169-H173 WeakPolarHBondContact CG1-CE1 3.5Å; V169-H173 WeakPolarHBondContact CG1-ND1 3.34Å; V169-H173 PolarHBondContact O-N 3.28Å; V169-H173 PolarHBondContact O-ND1 2.83Å; Q170-H173 PolarHBondContact O-N 3.4Å; H173-N176 PolarHBondContact O-N 2.77Å; H173-K177 WeakPolarHBondContact O-CB 3.46Å; H173-K177 PolarHBondContact O-N 2.6Å
174L88.3Confident84Confident89 Ų8993 Ų9347%0.46648%0.484SS..Hα-helixtrans-66.8-44.7175.9179.963000111.3Q170 V171 L172 N176 K177 M178Q170-L174 WeakPolarHBondContact O-CB 3.37Å; Q170-L174 PolarHBondContact O-N 3.13Å; V171-L174 PolarHBondContact O-N 3.45Å; L172-L174 VanDerWaalsContact C-N 3.29Å; L172-L174 PolarHBondContact O-N 3.41Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 2.58Å; L174-K177 WeakPolarHBondContact O-CB 3.42Å; L174-K177 PolarHBondContact O-N 3.06Å; L174-K177 VanDerWaalsContact O-N 3.1Å; L174-M178 HydrophobicContact CD1-CG 4.19Å; L174-M178 HydrophobicContact CG-CG 4.48Å; L174-M178 WeakPolarHBondContact O-CG 3.35Å; L174-M178 PolarHBondContact O-N 2.89Å
175M85.4Confident83.2Confident48 Ų4892 Ų9224%0.23649%0.487CS..Hα-helixtrans-56.3-45.4174.2-72.9179.772.500111V171 L172 K177 M178 N179 L180 P181 P183V171-M175 HydrophobicContact CG1-CG 4.46Å; V171-M175 HydrophobicContact CG1-SD 4.36Å; V171-M175 VanDerWaalsContact O-CG 3.3Å; V171-M175 WeakPolarHBondContact O-CG 3.42Å; V171-M175 PolarHBondContact O-N 3.22Å; L172-M175 PolarHBondContact O-N 2.62Å; M175-K177 PolarHBondContact O-N 3.15Å; M175-M178 CarbonylContact O-C 3.6Å; M175-M178 PolarHBondContact O-N 2.72Å; M175-N179 PolarHBondContact O-N 3.13Å; M175-L180 HydrophobicContact CB-CB 4.29Å; M175-L180 HydrophobicContact CE-CB 4.46Å; M175-L180 HydrophobicContact CG-CD1 4.35Å; M175-L180 PolarHBondContact O-N 2.82Å; M175-P181 WeakPolarHBondContact CE-O 3.31Å; M175-P183 HydrophobicContact CE-CB 4.04Å; M175-P183 HydrophobicContact CE-CG 3.91Å; M175-P183 HydrophobicContact SD-CG 3.93Å
176N83.6Confident82.6Confident121 Ų12193.3 Ų93.365%0.64750%0.496SS*.Hα-helixtrans-61.7-42.4174.9-174.248.6000112.1L172 H173 L174 M178 N179L172-N176 PolarHBondContact O-N 3.48Å; H173-N176 PolarHBondContact O-N 2.77Å; L174-N176 VanDerWaalsContact C-N 3.28Å; L174-N176 PolarHBondContact O-N 2.58Å; N176-M178 VanDerWaalsContact C-N 3.28Å; N176-M178 PolarHBondContact O-N 2.87Å; N176-N179 PolarHBondContact O-N 2.86Å; N176-N179 VanDerWaalsContact O-N 3.07Å
177K82.3Confident82.1Confident167 Ų16796.1 Ų96.173%0.72651%0.514SS*.Hα-helixtrans-65.2-31.1177.6-168.1-177.1179.1-166.10112.9H173 L174 M175 N179H173-K177 WeakPolarHBondContact O-CB 3.46Å; H173-K177 PolarHBondContact O-N 2.6Å; L174-K177 WeakPolarHBondContact O-CB 3.42Å; L174-K177 PolarHBondContact O-N 3.06Å; L174-K177 VanDerWaalsContact O-N 3.1Å; M175-K177 PolarHBondContact O-N 3.15Å; K177-N179 VanDerWaalsContact C-N 3.26Å
178M75.3Confident81.1Confident124 Ų12498.2 Ų98.261%0.61153%0.534SS*.THydrogen-bonded Turntrans-86.36175.6-63.2-59.8-68.200112.8L174 M175 N176 L180L174-M178 HydrophobicContact CD1-CG 4.19Å; L174-M178 HydrophobicContact CG-CG 4.48Å; L174-M178 WeakPolarHBondContact O-CG 3.35Å; L174-M178 PolarHBondContact O-N 2.89Å; M175-M178 CarbonylContact O-C 3.6Å; M175-M178 PolarHBondContact O-N 2.72Å; N176-M178 VanDerWaalsContact C-N 3.28Å; N176-M178 PolarHBondContact O-N 2.87Å; M178-L180 HydrophobicContact CB-CD1 4.23Å; M178-L180 HydrophobicContact CB-CG 3.99Å; M178-L180 PolarHBondContact O-N 3.1Å
179N77.9Confident79.9Confident148 Ų14897.9 Ų97.979%0.79155%0.552SS**THydrogen-bonded Turntrans54.432.4-176.5-56.1-53.7000113.6M175 N176 K177M175-N179 PolarHBondContact O-N 3.13Å; N176-N179 PolarHBondContact O-N 2.86Å; N176-N179 VanDerWaalsContact O-N 3.07Å; K177-N179 VanDerWaalsContact C-N 3.26Å
180L82.3Confident78.6Confident96 Ų96104.5 Ų104.550%0.50357%0.57SS.*PPolyproline II helixtrans-80152.5174.7-63.8178.6000110.7M175 M178M175-L180 HydrophobicContact CB-CB 4.29Å; M175-L180 HydrophobicContact CE-CB 4.46Å; M175-L180 HydrophobicContact CG-CD1 4.35Å; M175-L180 PolarHBondContact O-N 2.82Å; M178-L180 HydrophobicContact CB-CD1 4.23Å; M178-L180 HydrophobicContact CB-CG 3.99Å; M178-L180 PolarHBondContact O-N 3.1Å
181P78.6Confident77.5Confident107 Ų107108 Ų10870%0.69560%0.595SS**PPolyproline II helixtrans-61.2143.3177.925.6-34.3000111.1M175M175-P181 WeakPolarHBondContact CE-O 3.31Å
182C76.8Confident76.1Confident90 Ų90112.1 Ų112.161%0.60862%0.622SS**PPolyproline II helixtrans-66.5130.2179.960.40000110.6F184C182-F184 HydrophobicContact CB-CD2 3.74Å; C182-F184 HydrophobicContact CB-CE2 4.06Å; C182-F184 PolarHBondContact O-N 3.31Å
183P80.9Confident74.6Confident70 Ų70115.4 Ų115.446%0.45564%0.638SS.*THydrogen-bonded Turntrans-8117.2-17334-36.8000113.8L172 M175 G185L172-P183 HydrophobicContact CD2-CG 3.4Å; L172-P183 VanDerWaalsContact CD2-CG 3.4Å; M175-P183 HydrophobicContact CE-CB 4.04Å; M175-P183 HydrophobicContact CE-CG 3.91Å; M175-P183 HydrophobicContact SD-CG 3.93Å; P183-G185 PolarHBondContact O-N 3.04Å
184F83.8Confident73.1Confident148 Ų148118.7 Ų118.765%0.64965%0.651SS**THydrogen-bonded Turntrans-843.7-178.8-50.1-60.1000113.2L172 C182L172-F184 HydrophobicContact CD1-CE1 4.03Å; L172-F184 HydrophobicContact CD1-CZ 3.93Å; L172-F184 HydrophobicContact CD2-CE1 4.11Å; L172-F184 HydrophobicContact CD2-CZ 3.98Å; C182-F184 HydrophobicContact CB-CD2 3.74Å; C182-F184 HydrophobicContact CB-CE2 4.06Å; C182-F184 PolarHBondContact O-N 3.31Å
185G74.9Confident71.1Confident47 Ų47122.4 Ų122.449%0.48567%0.666SS.*SBendtrans-91178.3177.900000113.5P183P183-G185 PolarHBondContact O-N 3.04Å
186P74.2Confident69.3Low120 Ų120127.9 Ų127.978%0.77970%0.695SS**SBendtrans-58.5154.8171.227.5-34.7000110.8T188P186-T188 PolarHBondContact O-N 3.32Å
187I69.8Low67.5Low177 Ų177129.1 Ų129.191%0.90870%0.701SS**  trans-53.5110.1-178.9-60.5170.9000109
188T67.6Low66Low118 Ų118125.9 Ų125.972%0.72470%0.697SS**PPolyproline II helixtrans-71.6141.3179.655.40000109.9P186P186-T188 PolarHBondContact O-N 3.32Å
189A63.2Low64.6Low94 Ų94126.2 Ų126.278%0.77771%0.709SS**PPolyproline II helixtrans-56.3143173.800000111.2P191A189-P191 WeakPolarHBondContact O-CD 3.47Å
190R60Low63.3Low201 Ų201122.8 Ų122.876%0.75870%0.701SS**PPolyproline II helixtrans-59.7122.3-179.1174.4-179.4-99.1172.2-7.1109.7
191P62.1Low62Low98 Ų98123.3 Ų123.364%0.63671%0.71SS**PPolyproline II helixtrans-67152.6173.726.4-32.1000110.9A189 M193A189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-M193 PolarHBondContact O-N 2.74Å
192P59.6Low60.7Low130 Ų130124.1 Ų124.184%0.84472%0.715SS**PPolyproline II helixtrans-57.9129.5178.123.8-32.5000110.1
193M55.5Low59.5Low104 Ų104128.6 Ų128.651%0.51273%0.725SS.*PPolyproline II helixtrans-67.1140177.8-71.3-141.155.800110.4P149 P191 E195P149-M193 HydrophobicContact CG-CE 3.87Å; P191-M193 PolarHBondContact O-N 2.74Å; M193-E195 PolarHBondContact O-N 3.47Å
194F52.6Low58Low195 Ų195131 Ų13186%0.85574%0.74SS**THydrogen-bonded Turntrans-64.92.6-171.6-158.8-97.7000115.1
195E47.6Very low56.6Low167 Ų167132.3 Ų132.378%0.7875%0.75SS**THydrogen-bonded Turntrans-92.60.3-171.9-111169-178.400115.1M193M193-E195 PolarHBondContact O-N 3.47Å
196L47.7Very low55.7Low164 Ų164135 Ų13586%0.85976%0.76SS**  trans-129.432.3-172.9-78.8166.1000115P198L196-P198 WeakPolarHBondContact O-CD 3.5Å
197L45Very low54.6Low146 Ų146134.9 Ų134.976%0.76476%0.758SS**PPolyproline II helixtrans-88.8117.6165.6-99.1144.9000109.6
198P50.3Low53.6Low100 Ų100132.5 Ų132.565%0.64976%0.755SS**PPolyproline II helixtrans-60.5156166.8-12.726.7000109.9L196 A200L196-P198 WeakPolarHBondContact O-CD 3.5Å; P198-A200 PolarHBondContact O-N 3.14Å; P198-A200 VanDerWaalsContact O-N 3.15Å
199P46.2Very low52.6Low131 Ų131134.7 Ų134.785%0.85176%0.761SS**PPolyproline II helixtrans-57.9123.5178.124.7-32.1000109.7
200A51.2Low51.7Low76 Ų76135.9 Ų135.963%0.62876%0.761SS**PPolyproline II helixtrans-63.5140.6176.800000110.2P198P198-A200 PolarHBondContact O-N 3.14Å; P198-A200 VanDerWaalsContact O-N 3.15Å
201P54.5Low50.7Low107 Ų107132.9 Ų132.970%0.69577%0.765SS**PPolyproline II helixtrans-63.1152.1172.427.3-32.1000110.2F203P201-F203 PolarHBondContact O-N 2.82Å
202P51.5Low49.8Very low123 Ų123135.6 Ų135.680%0.79977%0.774SS**PPolyproline II helixtrans-59.8132.3-177.623.9-32.2000110.9
203F50.6Low49.1Very low185 Ų185139.7 Ų139.781%0.81177%0.774SS**PPolyproline II helixtrans-61.4137.5174.9-69.9-87.1000110.6P201P201-F203 PolarHBondContact O-N 2.82Å
204P49.2Very low48.6Very low120 Ų120140.3 Ų140.378%0.77979%0.786SS**PPolyproline II helixtrans-68.2136.6169.228.1-30.8000109.8
205M55.9Low48Very low175 Ų175137.1 Ų137.186%0.86279%0.785SS**PPolyproline II helixtrans-57140.8178.2-77.3-82.2-70.300112
206P54.8Low47.4Very low105 Ų105137.1 Ų137.168%0.68279%0.789SS**PPolyproline II helixtrans-75.7149.8171.230.4-31.3000111.4
207P52.3Low47.1Very low116 Ų116134.8 Ų134.875%0.75378%0.784SS**PPolyproline II helixtrans-71.1154.6176.129.7-32.5000111.5
208P47.6Very low46.5Very low127 Ų127137 Ų13783%0.82579%0.791SS**PPolyproline II helixtrans-68.5140.6-176.727.9-32.3000111.8
209L47.6Very low45.8Very low165 Ų165141.3 Ų141.386%0.86480%0.802SS**PPolyproline II helixtrans-67.4144.9173.2-87.3146.2000111
210P43.1Very low45.2Very low118 Ų118144.8 Ų144.877%0.76681%0.807SS**PPolyproline II helixtrans-76.3145.7177.224-16.4000111.1
211T40.3Very low44.4Very low139 Ų139149.4 Ų149.485%0.85382%0.818SS**PPolyproline II helixtrans-72.2124.9174.445.70000111.2Y213T211-Y213 PolarHBondContact O-N 2.83Å
212D43.4Very low43.3Very low154 Ų154150.5 Ų150.582%0.82481%0.813SS**PPolyproline II helixtrans-71117.8163-86.5-41.4000109.1
213Y45.3Very low42.2Very low217 Ų217154.1 Ų154.185%0.85181%0.811SS**  trans160.5119.8143.6-88.1-67.5000108.9T211T211-Y213 PolarHBondContact O-N 2.83Å
214P44.3Very low41Very low117 Ų117150.9 Ų150.976%0.7681%0.811SS**PPolyproline II helixtrans-84.4134172.733-29.2000110.1
215P38.8Very low40.1Very low128 Ų128148.6 Ų148.683%0.83180%0.798SS**PPolyproline II helixtrans-83.9127163.629.2-23.5000109.9
216L35Very low38.9Very low166 Ų166148.1 Ų148.187%0.86979%0.794SS**PPolyproline II helixtrans-72.6152.4163.9-85.5158.8000109.9
217P42.1Very low37.9Very low115 Ų115150 Ų15075%0.74779%0.794SS**PPolyproline II helixtrans-88.4131.1-171.233.8-29.1000110.8
218E33Very low36.9Very low194 Ų194152.1 Ų152.191%0.90779%0.793SS**  trans-126.4137.6157.5-80.7-176.917700109.7
219E34.7Very low36.3Very low189 Ų189151.5 Ų151.588%0.88379%0.792SS**  trans-54.5139.5-174.1-57.5174.515100111
220E34.2Very low36.2Very low204 Ų204152 Ų15295%0.95379%0.79SS**  trans-146.9133.9135.6-113.5171.2-151.800111.1
221M33.3Very low35.8Very low174 Ų174157.3 Ų157.386%0.85780%0.797SS**  trans-70.9160.7-170.8-150.3175.3-142.800110.8
222E31.9Very low35.7Very low130 Ų130159.2 Ų159.261%0.60780%0.796SS**  trans98.9101.7153.9-59-150.4133.900119.6
223R28.1Very low35.4Very low199 Ų199157.8 Ų157.875%0.75180%0.798SS**  100.3119.8116.7-77.7178.3-158-176.513.3118.3
224S26.1Very low35.6Very low116 Ų116150.5 Ų150.581%0.81179%0.788SS**  trans71135.2134.6-143.60000113.9
225S30.4Very low35.8Very low72 Ų72150.2 Ų150.250%0.50378%0.781SS.*  cis179.615619.9-155.70000104
226E30.3Very low36.7Very low165 Ų165152.6 Ų152.677%0.77178%0.78SS**  trans60.7145.3140.6-76.5157.6166.600117.7
227E33.2Very low37.9Very low145 Ų145150.8 Ų150.868%0.67877%0.768SS**  cis179.4154-2.5-140.9177.914100102.7
228E31.6Very low38.9Very low160 Ų160148.5 Ų148.575%0.74875%0.749SS**  trans73122.1146.9-53.2-134.5129.700122.2
229S35.2Very low40.4Very low115 Ų115146.7 Ų146.780%0.80474%0.738SS**  107.7118.2123.771.10000119
230E46.3Very low42.1Very low174 Ų174142.5 Ų142.581%0.81372%0.719SS**  trans-61.2152.1162.4-56.7169.6142.600110.9
231Y33.9Very low43.7Very low231 Ų231139.6 Ų139.691%0.90670%0.699SS**  -165.9130121.7-109.9-77.6000110.9
232E39.4Very low45.4Very low178 Ų178136.2 Ų136.283%0.83268%0.683SS**  trans-69.1132168.5-75.5-178.1127.300111.7
233S36.2Very low47.3Very low125 Ų125133 Ų13387%0.87468%0.679SS**  trans-163.1118.2149.5-166.90000104.4
234G49.1Very low49.4Very low63 Ų63131.7 Ų131.765%0.64967%0.674SS**  cis130.87434.100000105.1
235D49.6Very low51.3Low112 Ų112131.7 Ų131.760%0.59966%0.664SS**  trans-148.393.2169.6-89-34.6000109E237 D238 K239D235-E237 PolarHBondContact O-N 3.24Å; D235-D238 HydrophobicContact CB-CB 4.23Å; D235-D238 PolarHBondContact O-N 2.91Å; D235-K239 PolarHBondContact O-N 3.29Å
236E56.9Low52.8Low177 Ų177133.6 Ų133.683%0.82767%0.667SS**Hα-helixtrans-58.7-26.5175.6-161.9171.2-171.600111.4K239 E240E236-K239 PolarHBondContact O-N 2.96Å; E236-E240 PolarHBondContact O-N 3.39Å; E236-E240 VanDerWaalsContact O-N 3.12Å
237E61.4Low54.4Low129 Ų129128 Ų12860%0.60365%0.653SS**Hα-helixtrans-65.1-35.4172.3-74.1-166.1172.900113.2D235 E240 R241D235-E237 PolarHBondContact O-N 3.24Å; E237-E240 PolarHBondContact O-N 3.05Å; E237-R241 VanDerWaalsContact O-CB 3.29Å; E237-R241 WeakPolarHBondContact O-CB 3.34Å; E237-R241 PolarHBondContact O-N 3.31Å; E237-R241 IonicContact OE2-NH2 3.95Å; E237-R241 PolarHBondContact OE2-NH2 2.91Å
238D61.6Low55.7Low67 Ų67127.5 Ų127.536%0.35866%0.655SS.*Hα-helixtrans-75-35.2179.5-90.7-19.8000111.7D235 E240 R241 I242D235-D238 HydrophobicContact CB-CB 4.23Å; D235-D238 PolarHBondContact O-N 2.91Å; D238-E240 VanDerWaalsContact C-N 3.32Å; D238-E240 PolarHBondContact O-N 3.47Å; D238-R241 PolarHBondContact O-N 2.83Å; D238-R241 IonicContact OD1-CZ 2.76Å; D238-R241 IonicContact OD1-NH1 3.95Å; D238-R241 PolarHBondContact OD1-NH1 2.76Å; D238-I242 VanDerWaalsContact O-CB 3.28Å; D238-I242 WeakPolarHBondContact O-CB 3.32Å; D238-I242 WeakPolarHBondContact O-CD1 3.48Å; D238-I242 WeakPolarHBondContact O-CG1 3.22Å; D238-I242 PolarHBondContact O-N 3.02Å
239K65.4Low56.7Low155 Ų155124.9 Ų124.967%0.67465%0.649SS**Hα-helixtrans-62.8-39.8170.5-80.5179.1179174.20111.3D235 E236 A243D235-K239 PolarHBondContact O-N 3.29Å; E236-K239 PolarHBondContact O-N 2.96Å; K239-A243 VanDerWaalsContact O-CB 3.27Å; K239-A243 WeakPolarHBondContact O-CB 3.17Å; K239-A243 PolarHBondContact O-N 3.42Å
240E70.3Confident57.8Low102 Ų102125.3 Ų125.348%0.47764%0.642SS.*Hα-helixtrans-72.1-36176.8-159.4-179.6170.700112.4E236 E237 D238 A243 R244E236-E240 PolarHBondContact O-N 3.39Å; E236-E240 VanDerWaalsContact O-N 3.12Å; E237-E240 PolarHBondContact O-N 3.05Å; D238-E240 VanDerWaalsContact C-N 3.32Å; D238-E240 PolarHBondContact O-N 3.47Å; E240-A243 PolarHBondContact O-N 3.26Å; E240-R244 WeakPolarHBondContact O-CB 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.42Å; E240-R244 PolarHBondContact O-N 3.37Å; E240-R244 IonicContact OE1-CZ 3.05Å; E240-R244 IonicContact OE1-NE 3.81Å; E240-R244 IonicContact OE1-NH2 3.48Å; E240-R244 PolarHBondContact OE1-NH2 2.87Å
241R67.7Low58.2Low142 Ų142124.1 Ų124.154%0.53664%0.637SS.*Hα-helixtrans-65.2-43.1174.8-141.2175-72.4148.5-7.3111.3E237 D238 R244 L245E237-R241 VanDerWaalsContact O-CB 3.29Å; E237-R241 WeakPolarHBondContact O-CB 3.34Å; E237-R241 PolarHBondContact O-N 3.31Å; E237-R241 IonicContact OE2-NH2 3.95Å; E237-R241 PolarHBondContact OE2-NH2 2.91Å; D238-R241 PolarHBondContact O-N 2.83Å; D238-R241 IonicContact OD1-CZ 2.76Å; D238-R241 IonicContact OD1-NH1 3.95Å; D238-R241 PolarHBondContact OD1-NH1 2.76Å; R241-R244 PolarHBondContact O-N 3.02Å; R241-L245 WeakPolarHBondContact O-CB 3.48Å; R241-L245 PolarHBondContact O-N 2.88Å
242I68.4Low59Low103 Ų103117.2 Ų117.253%0.52863%0.628SS.*Hα-helixtrans-68.9-39.2177.1-67.6164.9000111D238 L245 M246D238-I242 VanDerWaalsContact O-CB 3.28Å; D238-I242 WeakPolarHBondContact O-CB 3.32Å; D238-I242 WeakPolarHBondContact O-CD1 3.48Å; D238-I242 WeakPolarHBondContact O-CG1 3.22Å; D238-I242 PolarHBondContact O-N 3.02Å; I242-L245 PolarHBondContact O-N 3.23Å; I242-M246 WeakPolarHBondContact O-CB 2.95Å; I242-M246 WeakPolarHBondContact O-CG 3.36Å; I242-M246 PolarHBondContact O-N 3.07Å
243A72.8Confident59.4Low63 Ų63114.6 Ų114.652%0.52163%0.628SS.*Hα-helixtrans-65.8-40.3175.200000112.5K239 E240 M246 G247K239-A243 VanDerWaalsContact O-CB 3.27Å; K239-A243 WeakPolarHBondContact O-CB 3.17Å; K239-A243 PolarHBondContact O-N 3.42Å; E240-A243 PolarHBondContact O-N 3.26Å; A243-M246 PolarHBondContact O-N 3.26Å; A243-G247 PolarHBondContact O-N 3.48Å
244R72.1Confident60.4Low171 Ų171118.1 Ų118.165%0.64563%0.627SS**Hα-helixtrans-67.1-35.9173.9-73.7-179.5-172.2-176.65.5112.3E240 R241 G247 L248E240-R244 WeakPolarHBondContact O-CB 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.42Å; E240-R244 PolarHBondContact O-N 3.37Å; E240-R244 IonicContact OE1-CZ 3.05Å; E240-R244 IonicContact OE1-NE 3.81Å; E240-R244 IonicContact OE1-NH2 3.48Å; E240-R244 PolarHBondContact OE1-NH2 2.87Å; R241-R244 PolarHBondContact O-N 3.02Å; R244-G247 PolarHBondContact O-N 3.34Å; R244-L248 PolarHBondContact O-N 3.36Å; R244-L248 VanDerWaalsContact O-N 3.13Å
245L66.2Low60.6Low116 Ų116126.1 Ų126.161%0.60764%0.638SS**Hα-helixtrans-68.6-43.2175.8-170.263.3000111.8R241 I242 G247 L248 V249R241-L245 WeakPolarHBondContact O-CB 3.48Å; R241-L245 PolarHBondContact O-N 2.88Å; I242-L245 PolarHBondContact O-N 3.23Å; L245-G247 VanDerWaalsContact C-N 3.3Å; L245-G247 PolarHBondContact O-N 3.19Å; L245-L248 PolarHBondContact O-N 2.8Å; L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 2.74Å
246M61.7Low60.7Low113 Ų113126.6 Ų126.656%0.55765%0.647SS**Hα-helixtrans-66-30.2173.3-79.5-70.6-13000113I242 A243 N250I242-M246 WeakPolarHBondContact O-CB 2.95Å; I242-M246 WeakPolarHBondContact O-CG 3.36Å; I242-M246 PolarHBondContact O-N 3.07Å; A243-M246 PolarHBondContact O-N 3.26Å; M246-N250 WeakPolarHBondContact O-CB 3.24Å; M246-N250 PolarHBondContact O-N 3.36Å; M246-N250 PolarHBondContact O-ND2 3.14Å
247G64.3Low60.6Low47 Ų47126.3 Ų126.349%0.48565%0.65SS.*Hα-helixtrans-69.9-32.317300000113.9A243 R244 L245A243-G247 PolarHBondContact O-N 3.48Å; R244-G247 PolarHBondContact O-N 3.34Å; L245-G247 VanDerWaalsContact C-N 3.3Å; L245-G247 PolarHBondContact O-N 3.19Å
248L60Low60.3Low135 Ų135131.1 Ų131.171%0.70766%0.663SS**Hα-helixtrans-78.1-35.8174.9-124.280.1000112.4R244 L245R244-L248 PolarHBondContact O-N 3.36Å; R244-L248 VanDerWaalsContact O-N 3.13Å; L245-L248 PolarHBondContact O-N 2.8Å
249V52.8Low59.8Low104 Ų104133.9 Ų133.963%0.6368%0.684SS**Hα-helixtrans-74.3-29.3-178.5167.70000112.7L245 Q251L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 2.74Å; V249-Q251 VanDerWaalsContact C-N 3.31Å; V249-Q251 PolarHBondContact O-N 3.14Å
250N57.8Low58.9Low124 Ų124136 Ų13666%0.66369%0.694SS**THydrogen-bonded Turntrans-88.99.1177.6-71.8-46.2000114.4M246 A252M246-N250 WeakPolarHBondContact O-CB 3.24Å; M246-N250 PolarHBondContact O-N 3.36Å; M246-N250 PolarHBondContact O-ND2 3.14Å; N250-A252 PolarHBondContact O-N 3.16Å
251Q55Low57.9Low149 Ų149137.8 Ų137.870%0.69671%0.712SS**SBendtrans-77.893.4169.9-147.9171.177.200108.6V249 C253V249-Q251 VanDerWaalsContact C-N 3.31Å; V249-Q251 PolarHBondContact O-N 3.14Å; Q251-C253 PolarHBondContact O-N 3.16Å
252A50.6Low56.8Low86 Ų86135.8 Ų135.871%0.71173%0.726SS**  trans-52.3104.3175.500000109.7N250 K254N250-A252 PolarHBondContact O-N 3.16Å; A252-K254 VanDerWaalsContact C-N 3.31Å; A252-K254 PolarHBondContact O-N 3.13Å
253C47.6Very low56.2Low124 Ų124135.9 Ų135.984%0.83874%0.735SS**  trans-60.497.5169.3-72.70000107.2Q251 R255Q251-C253 PolarHBondContact O-N 3.16Å; C253-R255 PolarHBondContact O-N 2.85Å
254K57.2Low55.3Low199 Ų199142.6 Ų142.687%0.86575%0.753SS**  trans-57.9115.3168.8-71.3-164.2178.9-177.20106.6A252A252-K254 VanDerWaalsContact C-N 3.31Å; A252-K254 PolarHBondContact O-N 3.13Å
255R53.3Low54.4Low231 Ų231146.1 Ų146.187%0.87277%0.766SS**  trans-45.5131.7174-68.2174.3-179151-0.1108.7C253 L257C253-R255 PolarHBondContact O-N 2.85Å; R255-L257 PolarHBondContact O-N 2.88Å; R255-L257 VanDerWaalsContact O-N 3.11Å
256P52.3Low54.1Low122 Ų122150.2 Ų150.279%0.79278%0.779SS**PPolyproline II helixtrans-56.5124.1163.911.8-12.9000107.5R258P256-R258 PolarHBondContact O-N 2.77Å
257L53.4Low54.2Low170 Ų170154 Ų15489%0.8979%0.793SS**PPolyproline II helixtrans-51.8125.4173.6-81.4151.2000108.1R255R255-L257 PolarHBondContact O-N 2.88Å; R255-L257 VanDerWaalsContact O-N 3.11Å
258R55.3Low53.8Low231 Ų231157.6 Ų157.687%0.87281%0.807SS**PPolyproline II helixtrans-48131.8171.4-77.6179.5174.1179.5-2.2108.6P256 K260P256-R258 PolarHBondContact O-N 2.77Å; R258-K260 PolarHBondContact O-N 2.84Å; R258-K260 VanDerWaalsContact O-N 3.14Å
259P51.8Low54.1Low124 Ų124158.6 Ų158.681%0.80581%0.805SS**PPolyproline II helixtrans-57.5125.616723.3-29.9000107.7T261P259-T261 PolarHBondContact O-N 3.18Å
260K46Very low54.6Low200 Ų200160.5 Ų160.587%0.8781%0.811SS**PPolyproline II helixtrans-52133.2175.7-69.9-179.9176.71770108.3R258 A262R258-K260 PolarHBondContact O-N 2.84Å; R258-K260 VanDerWaalsContact O-N 3.14Å; K260-A262 PolarHBondContact O-N 2.88Å; K260-A262 VanDerWaalsContact O-N 3.09Å
261T49.9Very low54.8Low139 Ų139162.1 Ų162.185%0.85381%0.812SS**PPolyproline II helixtrans-49.4118.6168.543.70000108.6P259 S263P259-T261 PolarHBondContact O-N 3.18Å; T261-S263 PolarHBondContact O-N 3.47Å
262A44.5Very low54.8Low101 Ų101161.7 Ų161.784%0.83581%0.814SS**  trans-61.8109.9173.600000107.8K260 K264K260-A262 PolarHBondContact O-N 2.88Å; K260-A262 VanDerWaalsContact O-N 3.09Å; A262-K264 PolarHBondContact O-N 3.06Å
263S56.6Low55.2Low104 Ų104164.8 Ų164.873%0.72782%0.818SS**  trans-56.4136.8173.366.30000109.4T261 R265T261-S263 PolarHBondContact O-N 3.47Å; S263-R265 PolarHBondContact O-N 3.21Å
264K53.6Low55.6Low204 Ų204166 Ų16689%0.88782%0.815SS**  trans-33.9106.7173-62.5176.4-179.9178.90111.5A262 K266A262-K264 PolarHBondContact O-N 3.06Å; K264-K266 PolarHBondContact O-N 3.27Å
265R51.9Low55.4Low246 Ų246166.7 Ų166.793%0.92881%0.814SS**PPolyproline II helixtrans-62.8118.2167.6-84.7-178.8171175.7-3.2107.8S263S263-R265 PolarHBondContact O-N 3.21Å
266K60.3Low55Low201 Ų201159.8 Ų159.887%0.87481%0.807SS**PPolyproline II helixtrans-62.4137.1165.8-67.8179.3178.91770107.6K264K264-K266 PolarHBondContact O-N 3.27Å
267K63.1Low54.6Low194 Ų194159.4 Ų159.484%0.84380%0.804SS**PPolyproline II helixtrans-47.9134.6176-62.5176.6178.9-179.70109.9
268P57.4Low54Low121 Ų121161.1 Ų161.179%0.78680%0.804SS**PPolyproline II helixtrans-63.4137.8175.926.3-31.8000109.7
269K66.7Low53.3Low156 Ų156156 Ų15668%0.67880%0.801SS**PPolyproline II helixtrans-83.8142.2174-74.7178.9175.8177.30108.5K271 D272K269-K271 HydrophobicContact CB-CG 4.41Å; K269-K271 PolarHBondContact O-N 3.41Å; K269-D272 PolarHBondContact O-N 3.13Å
270I61.5Low52.5Low144 Ų144158 Ų15874%0.73881%0.805SS**G310 helixtrans-48.5-17.3-177.7-74.9162000115.3D272 L273I270-D272 VanDerWaalsContact C-N 3.33Å; I270-D272 PolarHBondContact O-N 3.05Å; I270-L273 PolarHBondContact O-N 3.35Å
271K63.5Low52.3Low159 Ų159153.8 Ų153.869%0.69180%0.801SS**G310 helixtrans-74.1-22.6-174.3-33.8-171.2-175.6-165.10113.5K269 L273K269-K271 HydrophobicContact CB-CG 4.41Å; K269-K271 PolarHBondContact O-N 3.41Å; K271-L273 VanDerWaalsContact C-N 3.29Å; K271-L273 PolarHBondContact O-N 3.46Å
272D55.4Low51.9Low140 Ų140156.7 Ų156.775%0.74981%0.805SS**G310 helixtrans-86.92.5-179.2-63.6-21000112.9K269 I270K269-D272 PolarHBondContact O-N 3.13Å; I270-D272 VanDerWaalsContact C-N 3.33Å; I270-D272 PolarHBondContact O-N 3.05Å
273L58.6Low51.8Low151 Ų151157.5 Ų157.579%0.79180%0.804SS**G310 helixtrans-98.45.8175.2-75.1168.1000113.4I270 K271I270-L273 PolarHBondContact O-N 3.35Å; K271-L273 VanDerWaalsContact C-N 3.29Å; K271-L273 PolarHBondContact O-N 3.46Å
274L56.1Low51.1Low148 Ų148156.9 Ų156.978%0.77581%0.805SS**SBendtrans-98.813.9-174.5-71175000114.9
275Y51.8Low50.7Low215 Ų215153.4 Ų153.484%0.84380%0.804SS**  trans-135.497.1172.3-152.2-99.1000111.8
276A44.6Very low50.3Low86 Ų86145.9 Ų145.971%0.71179%0.794SS**  trans-109.3132.4163.100000108.5
277P45.2Very low49.9Very low114 Ų114143.4 Ų143.474%0.7479%0.789SS**PPolyproline II helixtrans-72.2141.3173.927.8-26.2000110.1
278K41.1Very low49.7Very low206 Ų206139.9 Ų139.990%0.89678%0.776SS**PPolyproline II helixtrans-66.9135.9-178.7-64.9179.2178.9176.50111.3
279P39.7Very low49.2Very low124 Ų124138.7 Ų138.781%0.80577%0.768SS**PPolyproline II helixtrans-94.314616433.9-28.2000111.8
280D34.8Very low48.8Very low165 Ų165134.8 Ų134.888%0.88276%0.761SS**PPolyproline II helixtrans-65.1151.6175.2-80-52000113.6
281S42.3Very low48.7Very low112 Ų112133 Ų13378%0.78375%0.752SS**PPolyproline II helixtrans-54.3134.4179.4-540000114.6
282Q40.4Very low48.7Very low200 Ų200130.5 Ų130.594%0.93575%0.75SS**  trans-166.5146.6137-103.5165.530.300111.1
283S43.8Very low48.5Very low118 Ų118130.9 Ų130.983%0.82575%0.746SS**  trans-99.4131.2-149.149.50000115.7
284A40.3Very low48.3Very low90 Ų90133.3 Ų133.374%0.74475%0.753SS**  trans-164.4146147.200000109.4A286A284-A286 PolarHBondContact O-N 3.38Å
285P45.2Very low48Very low132 Ų132132.4 Ų132.486%0.85775%0.749SS**PPolyproline II helixtrans-76.2123.3-170.529.7-31.4000111.4
286A44.4Very low47.7Very low88 Ų88127.9 Ų127.973%0.72775%0.746SS**PPolyproline II helixtrans-83.9121.9175.400000110.5A284A284-A286 PolarHBondContact O-N 3.38Å
287L52.4Low47.7Very low148 Ų148131.2 Ų131.278%0.77575%0.752SS**PPolyproline II helixtrans-62.5139170.3-67.2168.7000110.2
288Q57.6Low47.5Very low121 Ų121131.9 Ų131.957%0.56576%0.756SS**PPolyproline II helixtrans-85.2153.8-178.6-72.4-69.9-34.800110.7S290 D291Q288-S290 WeakPolarHBondContact CB-OG 3.47Å; Q288-S290 PolarHBondContact O-N 3.46Å; Q288-D291 PolarHBondContact N-OD2 3.39Å; Q288-D291 VanDerWaalsContact N-OD2 3.11Å; Q288-D291 WeakPolarHBondContact O-CB 3.24Å; Q288-D291 PolarHBondContact O-N 2.91Å
289P47.8Very low47.4Very low96 Ų96126.5 Ų126.562%0.62375%0.75SS**G310 helixtrans-57.1-17.1175.7-2534.4000114.9D291P289-D291 VanDerWaalsContact C-N 3.28Å
290S58.5Low47.6Very low74 Ų74123 Ų12352%0.51774%0.737SS.*G310 helixtrans-71.9-15.8172.450.40000114.4Q288Q288-S290 WeakPolarHBondContact CB-OG 3.47Å; Q288-S290 PolarHBondContact O-N 3.46Å
291D60.3Low48.1Very low105 Ų105121.8 Ų121.856%0.56174%0.738SS**G310 helixtrans-89.9-2.4-178.8-57.5-34000112.6Q288 P289Q288-D291 PolarHBondContact N-OD2 3.39Å; Q288-D291 VanDerWaalsContact N-OD2 3.11Å; Q288-D291 WeakPolarHBondContact O-CB 3.24Å; Q288-D291 PolarHBondContact O-N 2.91Å; P289-D291 VanDerWaalsContact C-N 3.28Å
292V63.1Low48.3Very low107 Ų107127.5 Ų127.565%0.64874%0.742SS**THydrogen-bonded Turntrans-119.1-16.5-175.6-178.30000112.6
293F49.9Very low48.1Very low149 Ų149127.8 Ų127.865%0.65474%0.74SS**SBendtrans-127.3125.1-177.4-68.6-84000111.2N295F293-N295 PolarHBondContact O-N 3.04Å
294E55.2Low48.4Very low202 Ų202129 Ų12994%0.94474%0.736SS**  trans-63.9115.6168.9-101-179156.800109.8
295N49Very low48.3Very low129 Ų129132.1 Ų132.169%0.6974%0.735SS**PPolyproline II helixtrans-74.1126.4173.6-76.1-2.1000110F293 N297F293-N295 PolarHBondContact O-N 3.04Å; N295-N297 PolarHBondContact O-N 3.17Å
296P46.2Very low48Very low120 Ų120134.5 Ų134.578%0.77973%0.732SS**PPolyproline II helixtrans-71124.317327-31000110.5
297N44.2Very low47.5Very low156 Ų156137.5 Ų137.583%0.83473%0.731SS**PPolyproline II helixtrans-55.1129.3174.2-82.9-25.4000111.4N295 A299N295-N297 PolarHBondContact O-N 3.17Å; N297-A299 PolarHBondContact O-N 3.15Å
298P41.3Very low46.8Very low128 Ų128137.7 Ų137.783%0.83173%0.731SS**  trans-76.897172.629.9-31.3000109.9G300P298-G300 PolarHBondContact O-N 3.47Å
299A39.7Very low45.6Very low93 Ų93137 Ų13777%0.76974%0.739SS**  trans-67.6118.3160.200000108.2N297N297-A299 PolarHBondContact O-N 3.15Å
300G43.8Very low45.2Very low51 Ų51138.3 Ų138.353%0.52675%0.745SS.*  trans-59168.6-176.700000114.7P298 R302P298-G300 PolarHBondContact O-N 3.47Å; G300-R302 PolarHBondContact O-N 2.84Å; G300-R302 VanDerWaalsContact O-N 3.09Å
301P44.9Very low44.3Very low139 Ų139140.7 Ų140.790%0.90376%0.759SS**  trans-69.5108.9-172.128.5-33.6000110.8
302R46.3Very low42.9Very low231 Ų231144.8 Ų144.887%0.87278%0.775SS**  trans-84.7112.1166.6-63.8-171.9-170.6-165.22.6108.5G300 I304G300-R302 PolarHBondContact O-N 2.84Å; G300-R302 VanDerWaalsContact O-N 3.09Å; R302-I304 PolarHBondContact O-N 2.88Å
303K36.8Very low41.4Very low207 Ų207144.4 Ų144.490%0.978%0.783SS**  trans-55.9129.3164.7-82.5175.6171.7-178.10108.7
304I49.2Very low40.5Very low142 Ų142142.1 Ų142.173%0.72879%0.792SS**  trans-93.5108.8171.4-57.6172.7000106.2R302 F306R302-I304 PolarHBondContact O-N 2.88Å; I304-F306 HydrophobicContact CG2-CD2 3.93Å; I304-F306 HydrophobicContact CG2-CE2 3.46Å; I304-F306 VanDerWaalsContact CG2-CE2 3.46Å; I304-F306 HydrophobicContact CG2-CZ 3.9Å
305E38.3Very low39.3Very low157 Ų157137.2 Ų137.273%0.73479%0.786SS**  trans-107118.2175.2-166.5166.2-148.600107.5
306F39.2Very low38.4Very low181 Ų181135.3 Ų135.379%0.79479%0.788SS**  trans-91102.6-179.4-77.2-89.2000109.5I304I304-F306 HydrophobicContact CG2-CD2 3.93Å; I304-F306 HydrophobicContact CG2-CE2 3.46Å; I304-F306 VanDerWaalsContact CG2-CE2 3.46Å; I304-F306 HydrophobicContact CG2-CZ 3.9Å
307H34Very low37.7Very low151 Ų151134.7 Ų134.770%0.69978%0.782SS**  trans-89102.6165-76.2-83.5000109.4
308I38.2Very low37.1Very low152 Ų152136.3 Ų136.378%0.77979%0.785SS**  trans-83.8109.5165-65.2170.2000106.7V310I308-V310 HydrophobicContact CG2-CG2 4.46Å
309S32.3Very low36.5Very low106 Ų106133.6 Ų133.674%0.74178%0.78SS**  trans-103.8111.5170.5-54.20000108.1
310V39.6Very low36Very low124 Ų124135.5 Ų135.575%0.75279%0.787SS**  trans-85.6124.2163.4177.60000106.7I308I308-V310 HydrophobicContact CG2-CG2 4.46Å
311P38.8Very low35.3Very low125 Ų125136.2 Ų136.281%0.81280%0.795SS**  trans-93.7120.2173.632.9-24.6000109.5
312E30.6Very low34.4Very low191 Ų191141.5 Ų141.589%0.89380%0.797SS**  trans-134.4119.6153.1-171.1173.3-172.300108.3
313A32.3Very low33.6Very low98 Ų98135 Ų13581%0.8179%0.793SS**  trans-176.5133.1141.600000112.1
314A29.9Very low33.1Very low102 Ų102132.2 Ų132.284%0.84379%0.787SS**  trans131.9132134.600000111.8
315A31.1Very low32.2Very low98 Ų98130.6 Ų130.681%0.8178%0.784SS**  cis-168.5140.6-6.600000104.8
316A30.6Very low31.8Very low89 Ų89129.7 Ų129.774%0.73678%0.784SS**  155.6147.7103.300000104
317T30.5Very low31.5Very low107 Ų107126.8 Ų126.866%0.65678%0.781SS**  cis-177.7143.744.4-16.90000105.1
318E31.2Very low31.2Very low191 Ų191128.2 Ų128.289%0.89379%0.788SS**  trans57.8136.6150.2-61.7170.9-161.700118.3
319G29Very low30.8Very low71 Ų71127.4 Ų127.473%0.73279%0.785SS**  cis159.6148.311.800000106.8
320S29.5Very low30.7Very low132 Ų132129.1 Ų129.192%0.92378%0.781SS**  trans69.1119.7154.4-175.60000121.6
321G28.2Very low30.2Very low66 Ų66127.4 Ų127.468%0.6878%0.775SS**  trans97.295.9137.100000115.7
322R27.4Very low29.8Very low250 Ų250130.2 Ų130.294%0.94378%0.775SS**  68.9128.488.1-90.5-171.2172.6172.4-1.3115.7
323A28.9Very low29.6Very low95 Ų95126.3 Ų126.379%0.78577%0.768SS**  trans78.3139155.300000115.7
324D26.3Very low29.5Very low148 Ų148126.1 Ų126.179%0.79177%0.767SS**  cis176.3163.1-14.8-137-36000104
325V31.2Very low30.1Very low109 Ų109126.6 Ų126.666%0.66176%0.761SS**  trans81.695.9152.8178.30000118.6
326D28.2Very low30Very low137 Ų137126.8 Ų126.873%0.73376%0.757SS**  76.9151.5110.2-64.3-47.2000125.2
327V32.9Very low29.9Very low120 Ų120127.7 Ų127.773%0.72776%0.758SS**  trans89.2104.5153.7-148.60000114.2
328E29.5Very low29.9Very low182 Ų182127.5 Ų127.585%0.8577%0.767SS**  52.314475.7-61-166.9165.700111.2
329D29.3Very low30Very low134 Ų134122.7 Ų122.772%0.71776%0.76SS**  cis-165.11637.7-162.512.8000109
330E30.3Very low30.1Very low142 Ų142127.9 Ų127.966%0.66477%0.765SS**  trans27.5129.7143.8-78.6-120108.200124.2
331S28.3Very low30.1Very low89 Ų89129.6 Ų129.662%0.62276%0.759SS**  100.4118.6117.174.90000122.5
332K30.4Very low30.4Very low184 Ų184134.3 Ų134.380%0.876%0.763SS**  64.9121.4123.8-69.6178.6179.71650122.2
333S25.9Very low30.6Very low109 Ų109128.1 Ų128.176%0.76275%0.753SS**  103.2116116.768.80000121.6
334A30Very low30.7Very low93 Ų93130 Ų13077%0.76976%0.755SS**  trans69.9177.7132.400000119.1
335P43.6Very low31Very low112 Ų112128.8 Ų128.873%0.72775%0.752SS**  -136.2-179.6-67.339.9-23.9000115.2
336S28Very low31Very low103 Ų103133 Ų13372%0.7277%0.765SS**  trans67.7119.1145.167.50000124.1
337S29.8Very low31.3Very low108 Ų108130 Ų13076%0.75577%0.767SS**  87.6117.8119.368.50000123.5
338A30.4Very low31.5Very low102 Ų102134.7 Ų134.784%0.84378%0.778SS**  93.3129.2122.200000122.1
339A32.5Very low31.8Very low91 Ų91129.3 Ų129.375%0.75277%0.771SS**  127.6101.112800000117.5
340Q30.5Very low32.2Very low179 Ų179132 Ų13284%0.83678%0.776SS**  68.6145.4119.4-88.5177.4-26.600126.4
341E31.2Very low32.7Very low169 Ų169133.5 Ų133.579%0.7979%0.788SS**  trans77.9150.4155.3-74.5175.4-171.600121.6
342E34.7Very low33.1Very low164 Ų164138.8 Ų138.877%0.76680%0.796SS**  cis-167.3146.2-39.8-127.2-166.7-166.700108.3
343T29.8Very low33.7Very low121 Ų121136.2 Ų136.274%0.74280%0.798SS**  trans65141.5161.572.60000119.1
344V32.3Very low34.1Very low135 Ų135136.5 Ų136.582%0.81880%0.8SS**  -152.615751.8-163.90000111.6
345T33.3Very low34.3Very low121 Ų121136.4 Ų136.474%0.74280%0.799SS**  trans-70.1147.9-17048.80000118.5
346E31.3Very low33.8Very low198 Ų198139.9 Ų139.993%0.92581%0.806SS**  trans164.2115.5136.2-92.6173.2-164.700106
347G32.9Very low33.9Very low75 Ų75141 Ų14177%0.77381%0.808SS**  135.5140.856.800000106.4
348F37.5Very low34Very low218 Ų218141.5 Ų141.596%0.95681%0.812SS**  trans86.371.7168.7-139-99.4000119.3
349G34.9Very low34.3Very low69 Ų69146.2 Ų146.271%0.71182%0.817SS**  76.371.8116.600000119
350K39.4Very low34.3Very low190 Ų190150.7 Ų150.783%0.82682%0.822SS**  trans-99.2116.5147.9-72.3-179.6-179.3177.40108.4
351L40.1Very low34.5Very low173 Ų173150.9 Ų150.991%0.90682%0.823SS**  trans-119.799.8164.8-77163.2000108.1
352Y36.7Very low34.8Very low200 Ų200149.8 Ų149.878%0.78482%0.822SS**  trans-70.3138.4155-80.2-97.9000107.8S354Y352-S354 PolarHBondContact O-N 3.08Å
353P42.6Very low34.9Very low131 Ų131151.4 Ų151.485%0.85183%0.83SS**  trans-79.1107.9177.229.2-27.9000109.7
354S34.8Very low35.4Very low114 Ų114157.4 Ų157.480%0.79784%0.839SS**  trans-93.5141.4154.961.10000109.6Y352Y352-S354 PolarHBondContact O-N 3.08Å
355A34.3Very low35.4Very low92 Ų92155.8 Ų155.876%0.7683%0.834SS**  trans-49.7144.4-174.600000116.2
356Q33.9Very low35.8Very low185 Ų185155.2 Ų155.286%0.86483%0.826SS**  -167.4115.7119.9-103.4174.3-2.200112.9
357T29.3Very low36.3Very low126 Ų126152.7 Ų152.777%0.77382%0.819SS**  trans21.3123.2143.8550000121.8
358S32.2Very low36.7Very low119 Ų119157.4 Ų157.483%0.83282%0.821SS**  -17695.5119.927.70000112.3
359Q35.8Very low37.2Very low201 Ų201152.7 Ų152.794%0.93980%0.801SS**  trans-152101.1140.4-106174.423.400106.9
360Q33.4Very low37.9Very low185 Ų185153.5 Ų153.586%0.86479%0.79SS**  trans-79.4119.1168.7-74.5168.5-1600107.8
361Q34.4Very low38.1Very low182 Ų182152 Ų15285%0.8579%0.79SS**SBend-169.6126.8128.3-101.5161.815.600108.3
362D36.7Very low38.7Very low146 Ų146147.9 Ų147.978%0.78177%0.772SS**SBendtrans90.329.8160.9-55.1-18.4000122.6
363E37.3Very low39.7Very low199 Ų199144.1 Ų144.193%0.9377%0.774SS**  trans-140.343.4166.5-73.2-81.214000112.3
364R39.5Very low41.1Very low247 Ų247144 Ų14493%0.93277%0.767SS**  trans-136.578.1179.6-146179.6-159.5-129.42.3111.9
365S34.2Very low43.3Very low101 Ų101140.8 Ų140.871%0.70674%0.742SS**SBendtrans-156.6-3159.476.40000117.8
366D41Very low45.8Very low109 Ų109136.6 Ų136.658%0.58371%0.707SS**SBendtrans-102.9-6.2-164.3-123.728.7000116.3
367D41.3Very low48.4Very low144 Ų144129.6 Ų129.677%0.7768%0.678SS**SBendtrans-101.2-6.8-175.9-71-43.3000114.6
368E41.6Very low51.1Low174 Ų174129.9 Ų129.981%0.81367%0.665SS**SBendtrans-97.82.1-178-72.8-80156.800113.7
369E48.7Very low53.7Low119 Ų119131.7 Ų131.756%0.55666%0.658SS**  trans-95.44.6174.4-68.3-163.1167.900113.9L371E369-L371 PolarHBondContact O-N 2.7Å; E369-L371 VanDerWaalsContact O-N 3.15Å
370D49.3Very low56.2Low87 Ų87126.1 Ų126.147%0.46563%0.632SS.*THydrogen-bonded Turntrans-80.415.4-177.2-90.6-9.6000114.1R429D370-R429 IonicContact OD1-NH1 3.47Å; D370-R429 PolarHBondContact OD1-NH1 3.48Å
371L43.1Very low58.9Low157 Ų157117.5 Ų117.582%0.82259%0.592SS**THydrogen-bonded Turntrans-110.317179-69.5178.1000114.9E369E369-L371 PolarHBondContact O-N 2.7Å; E369-L371 VanDerWaalsContact O-N 3.15Å
372V53Low61.5Low87 Ų87114 Ų11453%0.52758%0.576SS.*  trans-95.797.1163.9-167.50000107.7D374 V375V372-D374 HydrophobicContact CG1-CB 4.19Å; V372-D374 PolarHBondContact O-N 2.77Å; V372-V375 PolarHBondContact O-N 3.17Å
373S58.2Low64Low121 Ų121115.9 Ų115.985%0.84658%0.577SS**THydrogen-bonded Turntrans-54.91.1-178.8-21.10000116.1
374D71.1Confident66.3Low128 Ų128107.5 Ų107.568%0.68454%0.544SS*.THydrogen-bonded Turntrans-105.25.3-171.5-147.128.9000112.8V372 Y425V372-D374 HydrophobicContact CG1-CB 4.19Å; V372-D374 PolarHBondContact O-N 2.77Å; D374-Y425 VanDerWaalsContact C-CD2 3.42Å; D374-Y425 WeakPolarHBondContact O-CD2 3.28Å
375V81.9Confident68.8Low47 Ų47101.6 Ų101.629%0.28552%0.522SS..SBendtrans-135.5146.2-178.7-174.90000111.6V372 Y425 R429V372-V375 PolarHBondContact O-N 3.17Å; V375-Y425 PolarHBondContact O-OH 3.42Å; V375-R429 HydrophobicContact CG1-CB 3.56Å; V375-R429 HydrophobicContact CG1-CG 4.3Å
376I86.4Confident71.5Confident4 Ų498.5 Ų98.52%0.02150%0.497CS..  trans-67.7140.4-179.9-163.4154.8000113E380 L381 Y425 I426 R429 F476I376-E380 HydrophobicContact CD1-CB 4.49Å; I376-E380 HydrophobicContact CD1-CG 4.07Å; I376-E380 HydrophobicContact CG1-CB 4.03Å; I376-E380 HydrophobicContact CG1-CG 4.06Å; I376-L381 HydrophobicContact CB-CD1 4.24Å; I376-L381 HydrophobicContact CD1-CD1 3.66Å; I376-L381 HydrophobicContact CG1-CD1 3.86Å; I376-L381 HydrophobicContact CG2-CD1 3.38Å; I376-Y425 HydrophobicContact CB-CD1 3.85Å; I376-Y425 HydrophobicContact CB-CE1 3.48Å; I376-Y425 VanDerWaalsContact CB-CE1 3.48Å; I376-Y425 HydrophobicContact CD1-CD1 4.38Å; I376-Y425 HydrophobicContact CD1-CE1 4.01Å; I376-Y425 HydrophobicContact CG1-CD1 4.45Å; I376-Y425 HydrophobicContact CG1-CE1 3.82Å; I376-Y425 PolarHBondContact N-O 2.89Å; I376-I426 HydrophobicContact CD1-CG1 4.18Å; I376-I426 WeakPolarHBondContact CG2-O 3.27Å; I376-R429 HydrophobicContact CG2-CB 4.39Å; I376-R429 WeakPolarHBondContact O-CD 3.48Å; I376-R429 PolarHBondContact O-NH1 3.43Å; I376-R429 VanDerWaalsContact O-NH1 3.13Å; I376-F476 HydrophobicContact CD1-CE2 4.4Å; I376-F476 HydrophobicContact CD1-CZ 3.95Å
377S88.2Confident73.9Confident38 Ų3895.9 Ų95.927%0.26649%0.487SS..  trans-79.4149.8174.673.20000111.8K379 E380 L381S377-K379 VanDerWaalsContact C-N 3.26Å; S377-K379 PolarHBondContact O-N 3.49Å; S377-E380 PolarHBondContact O-N 3.3Å; S377-E380 VanDerWaalsContact O-N 3.15Å; S377-E380 VanDerWaalsContact OG-CB 3.24Å; S377-E380 WeakPolarHBondContact OG-CB 3.36Å; S377-E380 PolarHBondContact OG-N 3.15Å; S377-L381 PolarHBondContact O-N 2.88Å; S377-L381 VanDerWaalsContact O-N 3.14Å
378R86.1Confident76.1Confident132 Ų13298.1 Ų98.150%0.49849%0.485SS..Hα-helixtrans-57.2-40.9175.6-179.2179.2175.8172.43.9112.1E380 L381 E382R378-E380 VanDerWaalsContact C-N 3.29Å; R378-E380 PolarHBondContact O-N 3.39Å; R378-L381 PolarHBondContact O-N 3.35Å; R378-E382 IonicContact CZ-OE1 2.71Å; R378-E382 IonicContact NE-OE1 2.65Å; R378-E382 PolarHBondContact NE-OE1 3.18Å; R378-E382 IonicContact NH2-OE1 3.22Å; R378-E382 WeakPolarHBondContact O-CG 3.23Å; R378-E382 PolarHBondContact O-N 2.98Å
379K86.7Confident78.4Confident157 Ų15794.8 Ų94.868%0.68347%0.473SS*.Hα-helixtrans-63.7-34.7179.6-67.8175.7-177.9164.20112.1S377 K383S377-K379 VanDerWaalsContact C-N 3.26Å; S377-K379 PolarHBondContact O-N 3.49Å; K379-K383 VanDerWaalsContact O-CG 3.28Å; K379-K383 WeakPolarHBondContact O-CG 3.48Å; K379-K383 PolarHBondContact O-N 3.3Å
380E89.1Confident80.3Confident85 Ų8592.5 Ų92.540%0.39746%0.462SS..Hα-helixtrans-72-41.2176.9-174.7174.6-179.100111.8I376 S377 R378 E382 K383 G384I376-E380 HydrophobicContact CD1-CB 4.49Å; I376-E380 HydrophobicContact CD1-CG 4.07Å; I376-E380 HydrophobicContact CG1-CB 4.03Å; I376-E380 HydrophobicContact CG1-CG 4.06Å; S377-E380 PolarHBondContact O-N 3.3Å; S377-E380 VanDerWaalsContact O-N 3.15Å; S377-E380 VanDerWaalsContact OG-CB 3.24Å; S377-E380 WeakPolarHBondContact OG-CB 3.36Å; S377-E380 PolarHBondContact OG-N 3.15Å; R378-E380 VanDerWaalsContact C-N 3.29Å; R378-E380 PolarHBondContact O-N 3.39Å; E380-E382 VanDerWaalsContact C-N 3.32Å; E380-E382 PolarHBondContact O-N 3.3Å; E380-K383 PolarHBondContact O-N 3.41Å; E380-G384 PolarHBondContact O-N 2.89Å
381L89.2Confident82.2Confident4 Ų489.6 Ų89.62%0.02145%0.446CS..Hα-helixtrans-59.7-44.2175.1-130.397.8000112.1I376 S377 R378 G384 R385 I426 E472 T473 F476I376-L381 HydrophobicContact CB-CD1 4.24Å; I376-L381 HydrophobicContact CD1-CD1 3.66Å; I376-L381 HydrophobicContact CG1-CD1 3.86Å; I376-L381 HydrophobicContact CG2-CD1 3.38Å; S377-L381 PolarHBondContact O-N 2.88Å; S377-L381 VanDerWaalsContact O-N 3.14Å; R378-L381 PolarHBondContact O-N 3.35Å; L381-G384 PolarHBondContact O-N 2.99Å; L381-R385 WeakPolarHBondContact O-CB 3.34Å; L381-R385 PolarHBondContact O-N 3.34Å; L381-I426 HydrophobicContact CD1-CG2 4.24Å; L381-E472 HydrophobicContact CD2-CB 3.51Å; L381-E472 WeakPolarHBondContact CD2-O 3.5Å; L381-T473 HydrophobicContact CD2-CG2 3.93Å; L381-F476 HydrophobicContact CG-CD2 4.26Å; L381-F476 HydrophobicContact CG-CE2 4.48Å
382E88.7Confident84.4Confident109 Ų10988.3 Ų88.351%0.50943%0.434SS..Hα-helixtrans-65.8-37.5179.6-73.4175.9-175.300112.2R378 E380R378-E382 IonicContact CZ-OE1 2.71Å; R378-E382 IonicContact NE-OE1 2.65Å; R378-E382 PolarHBondContact NE-OE1 3.18Å; R378-E382 IonicContact NH2-OE1 3.22Å; R378-E382 WeakPolarHBondContact O-CG 3.23Å; R378-E382 PolarHBondContact O-N 2.98Å; E380-E382 VanDerWaalsContact C-N 3.32Å; E380-E382 PolarHBondContact O-N 3.3Å
383K88.8Confident86.2Confident185 Ų18592.9 Ų92.980%0.80444%0.442SS*.Hα-helixtrans-68.4-37.2175.8-75.6175-177.7-178.40113.1K379 E380 R385K379-K383 VanDerWaalsContact O-CG 3.28Å; K379-K383 WeakPolarHBondContact O-CG 3.48Å; K379-K383 PolarHBondContact O-N 3.3Å; E380-K383 PolarHBondContact O-N 3.41Å; K383-R385 VanDerWaalsContact C-N 3.31Å
384G87.3Confident87.6Confident23 Ų2390.8 Ų90.824%0.23742%0.42CS..Hα-helixtrans-82.2-4.5-179.600000114.5E380 L381 V477E380-G384 PolarHBondContact O-N 2.89Å; L381-G384 PolarHBondContact O-N 2.99Å; G384-V477 PolarHBondContact O-N 3.12Å
385R91.6Very high88.5Confident122 Ų12288.8 Ų88.846%0.4642%0.415SS..BIsolated β-bridgetrans-88.8128.3-176.1-164.8179.769.8144.50.2111.8L381 K383 R471 E472L381-R385 WeakPolarHBondContact O-CB 3.34Å; L381-R385 PolarHBondContact O-N 3.34Å; K383-R385 VanDerWaalsContact C-N 3.31Å; R385-R471 PolarHBondContact NH1-O 3.31Å; R385-E472 WeakPolarHBondContact CD-O 3.48Å
386L90.4Very high88.8Confident36 Ų3689.5 Ų89.519%0.18842%0.42CS..PPolyproline II helixtrans-63.9148.8173-67.9177.3000111.9E390 I391 G475 V477 P482L386-E390 HydrophobicContact CB-CB 4.14Å; L386-E390 HydrophobicContact CD2-CB 4.44Å; L386-I391 HydrophobicContact CB-CD1 4.42Å; L386-I391 HydrophobicContact CB-CG1 3.87Å; L386-I391 WeakPolarHBondContact O-CD1 3.39Å; L386-G475 PolarHBondContact N-O 3.4Å; L386-V477 HydrophobicContact CD1-CG2 4.15Å; L386-V477 HydrophobicContact CD2-CG2 3.87Å; L386-V477 HydrophobicContact CG-CG2 3.7Å; L386-P482 HydrophobicContact CD1-CB 3.68Å; L386-P482 HydrophobicContact CD1-CG 4.17Å
387S91.3Very high89Confident54 Ų5490 Ų9038%0.37842%0.422SS..PPolyproline II helixtrans-64.4155.2172.964.60000111.3D389 E390 I391S387-D389 PolarHBondContact O-N 3.45Å; S387-D389 VanDerWaalsContact O-N 3.12Å; S387-E390 PolarHBondContact N-OE2 3.35Å; S387-E390 PolarHBondContact O-N 2.89Å; S387-E390 VanDerWaalsContact O-N 3.11Å; S387-E390 WeakPolarHBondContact OG-CB 3.22Å; S387-E390 WeakPolarHBondContact OG-CG 3.49Å; S387-E390 PolarHBondContact OG-N 3.5Å; S387-E390 PolarHBondContact OG-OE2 2.87Å; S387-I391 WeakPolarHBondContact O-CG1 3.23Å; S387-I391 PolarHBondContact O-N 2.76Å
388R87.6Confident88.9Confident192 Ų19295.7 Ų95.773%0.72544%0.442SS*.Hα-helixtrans-57-31.7179.8-170178.3-178.2-172.80.9112.5K392R388-K392 WeakPolarHBondContact O-CG 3.37Å; R388-K392 PolarHBondContact O-N 3.38Å
389D89Confident88.9Confident103 Ų10397 Ų9755%0.55146%0.458SS*.Hα-helixtrans-80.1-34-179.9-61.5-33000112.3S387 K392 R393S387-D389 PolarHBondContact O-N 3.45Å; S387-D389 VanDerWaalsContact O-N 3.12Å; D389-K392 PolarHBondContact O-N 2.93Å; D389-K392 IonicContact OD1-NZ 3.53Å; D389-R393 WeakPolarHBondContact O-CG 3.44Å; D389-R393 PolarHBondContact O-N 3.37Å; D389-R393 VanDerWaalsContact O-N 3.08Å
390E90.2Very high89.1Confident72 Ų7292.2 Ų92.234%0.33644%0.437SS..Hα-helixtrans-63.9-44.2169-75.4163.6164.200111.8L386 S387 K392 R393 M394L386-E390 HydrophobicContact CB-CB 4.14Å; L386-E390 HydrophobicContact CD2-CB 4.44Å; S387-E390 PolarHBondContact N-OE2 3.35Å; S387-E390 PolarHBondContact O-N 2.89Å; S387-E390 VanDerWaalsContact O-N 3.11Å; S387-E390 WeakPolarHBondContact OG-CB 3.22Å; S387-E390 WeakPolarHBondContact OG-CG 3.49Å; S387-E390 PolarHBondContact OG-N 3.5Å; S387-E390 PolarHBondContact OG-OE2 2.87Å; E390-K392 VanDerWaalsContact C-N 3.28Å; E390-K392 PolarHBondContact O-N 2.96Å; E390-R393 PolarHBondContact O-N 3.4Å; E390-R393 VanDerWaalsContact O-N 3.09Å; E390-R393 IonicContact OE1-NH2 3.94Å; E390-M394 VanDerWaalsContact O-CG 3.31Å; E390-M394 WeakPolarHBondContact O-CG 3.37Å; E390-M394 PolarHBondContact O-N 2.71Å
391I89.2Confident89.1Confident26 Ų2695.2 Ų95.213%0.13345%0.451CS..Hα-helixtrans-55.1-46.4176.1-69.2165000110.2L386 S387 R393 M394 F397L386-I391 HydrophobicContact CB-CD1 4.42Å; L386-I391 HydrophobicContact CB-CG1 3.87Å; L386-I391 WeakPolarHBondContact O-CD1 3.39Å; S387-I391 WeakPolarHBondContact O-CG1 3.23Å; S387-I391 PolarHBondContact O-N 2.76Å; I391-R393 PolarHBondContact O-N 2.94Å; I391-M394 PolarHBondContact O-N 3.27Å; I391-F397 HydrophobicContact CG2-CB 4.12Å; I391-F397 HydrophobicContact CG2-CD1 3.6Å; I391-F397 HydrophobicContact CG2-CD2 3.87Å; I391-F397 HydrophobicContact CG2-CE1 3.84Å; I391-F397 HydrophobicContact CG2-CE2 4.1Å; I391-F397 HydrophobicContact CG2-CG 3.6Å; I391-F397 HydrophobicContact CG2-CZ 4.07Å; I391-F397 VanDerWaalsContact O-CB 3.31Å; I391-F397 WeakPolarHBondContact O-CB 3.49Å; I391-F397 WeakPolarHBondContact O-CD2 3.34Å
392K89.1Confident89Confident130 Ų13096.7 Ų96.757%0.56546%0.464SS*.Hα-helixtrans-66.2-33.9177.7-71.8172.6-173.6168.10113.7R388 D389 E390 M394R388-K392 WeakPolarHBondContact O-CG 3.37Å; R388-K392 PolarHBondContact O-N 3.38Å; D389-K392 PolarHBondContact O-N 2.93Å; D389-K392 IonicContact OD1-NZ 3.53Å; E390-K392 VanDerWaalsContact C-N 3.28Å; E390-K392 PolarHBondContact O-N 2.96Å; K392-M394 VanDerWaalsContact C-N 3.32Å
393R90.9Very high89.1Confident182 Ų18293.9 Ų93.969%0.68746%0.464SS*.Hα-helixtrans-69.7-30.9178.3-76.2-174.6-69.2175.70.8112.1D389 E390 I391D389-R393 WeakPolarHBondContact O-CG 3.44Å; D389-R393 PolarHBondContact O-N 3.37Å; D389-R393 VanDerWaalsContact O-N 3.08Å; E390-R393 PolarHBondContact O-N 3.4Å; E390-R393 VanDerWaalsContact O-N 3.09Å; E390-R393 IonicContact OE1-NH2 3.94Å; I391-R393 PolarHBondContact O-N 2.94Å
394M87.1Confident89.1Confident78 Ų7892.5 Ų92.538%0.38446%0.46SS..SBendtrans-72.2132.4-176.6-71.2-63.5-80.300112.3E390 I391 K392 V396 F397 P482E390-M394 VanDerWaalsContact O-CG 3.31Å; E390-M394 WeakPolarHBondContact O-CG 3.37Å; E390-M394 PolarHBondContact O-N 2.71Å; I391-M394 PolarHBondContact O-N 3.27Å; K392-M394 VanDerWaalsContact C-N 3.32Å; M394-V396 PolarHBondContact O-N 3.46Å; M394-V396 VanDerWaalsContact O-N 3.14Å; M394-F397 HydrophobicContact CB-CD2 3.94Å; M394-F397 HydrophobicContact CB-CE2 4.49Å; M394-F397 PolarHBondContact O-N 3.18Å; M394-F397 VanDerWaalsContact O-N 3.16Å; M394-P482 HydrophobicContact CE-CG 4.15Å
395S89Confident89.3Confident85 Ų8594.9 Ų94.959%0.59447%0.471SS*.G310 helixtrans-61.1-26.9-177.561.70000113.7F397 K398S395-F397 PolarHBondContact O-N 3.37Å; S395-K398 PolarHBondContact O-N 3.43Å
396V88.9Confident89.3Confident62 Ų6290.6 Ų90.638%0.37646%0.459SS..G310 helixtrans-65.5-24.1-178.7-157.70000112.1M394 N413 V484M394-V396 PolarHBondContact O-N 3.46Å; M394-V396 VanDerWaalsContact O-N 3.14Å; V396-N413 HydrophobicContact CG1-CB 4Å; V396-V484 HydrophobicContact CB-CG2 4.31Å; V396-V484 HydrophobicContact CG1-CG2 3.61Å
397F90.1Very high89.4Confident15 Ų1591.4 Ų91.47%0.06647%0.467CS..G310 helixtrans-102.12.6-177.3-66.7-86.8000114.5I391 M394 S395 N399 Y400 N474 P482 V484I391-F397 HydrophobicContact CG2-CB 4.12Å; I391-F397 HydrophobicContact CG2-CD1 3.6Å; I391-F397 HydrophobicContact CG2-CD2 3.87Å; I391-F397 HydrophobicContact CG2-CE1 3.84Å; I391-F397 HydrophobicContact CG2-CE2 4.1Å; I391-F397 HydrophobicContact CG2-CG 3.6Å; I391-F397 HydrophobicContact CG2-CZ 4.07Å; I391-F397 VanDerWaalsContact O-CB 3.31Å; I391-F397 WeakPolarHBondContact O-CB 3.49Å; I391-F397 WeakPolarHBondContact O-CD2 3.34Å; M394-F397 HydrophobicContact CB-CD2 3.94Å; M394-F397 HydrophobicContact CB-CE2 4.49Å; M394-F397 PolarHBondContact O-N 3.18Å; M394-F397 VanDerWaalsContact O-N 3.16Å; S395-F397 PolarHBondContact O-N 3.37Å; F397-N399 PolarHBondContact O-N 2.99Å; F397-N399 VanDerWaalsContact O-N 3.11Å; F397-Y400 HydrophobicContact CD1-CD2 4.08Å; F397-Y400 HydrophobicContact CD1-CG 4.02Å; F397-Y400 HydrophobicContact CE1-CD2 4.47Å; F397-Y400 VanDerWaalsContact O-CB 3.31Å; F397-Y400 WeakPolarHBondContact O-CB 3.26Å; F397-Y400 PolarHBondContact O-N 3.18Å; F397-Y400 VanDerWaalsContact O-N 3.08Å; F397-N474 WeakPolarHBondContact CE1-OD1 3.4Å; F397-P482 HydrophobicContact CE2-CB 4.26Å; F397-P482 HydrophobicContact CE2-CG 4.4Å; F397-V484 HydrophobicContact CD1-CG1 4.26Å; F397-V484 HydrophobicContact CD1-CG2 4.26Å; F397-V484 HydrophobicContact CE1-CB 4.21Å; F397-V484 HydrophobicContact CE1-CG1 4.01Å; F397-V484 HydrophobicContact CE1-CG2 3.72Å; F397-V484 HydrophobicContact CE2-CG2 4.07Å; F397-V484 HydrophobicContact CZ-CB 4.47Å; F397-V484 HydrophobicContact CZ-CG2 3.62Å
398K86.2Confident89.4Confident158 Ų15892.9 Ų92.969%0.68746%0.464SS*.THydrogen-bonded Turntrans-57.1-30.7-176.3-75-178.7175.8-172.80114.4S395S395-K398 PolarHBondContact O-N 3.43Å
399N87Confident89.8Confident158 Ų15883.8 Ų83.885%0.84543%0.43SS*.THydrogen-bonded Turntrans-123.541177.4-60.3-33.8000110.5F397F397-N399 PolarHBondContact O-N 2.99Å; F397-N399 VanDerWaalsContact O-N 3.11Å
400Y90.8Very high90.1Very high57 Ų5780.5 Ų80.522%0.22441%0.41CS..  trans-82.3125179.1176-95.7000111.1F397 N474 V484 V485 Q486F397-Y400 HydrophobicContact CD1-CD2 4.08Å; F397-Y400 HydrophobicContact CD1-CG 4.02Å; F397-Y400 HydrophobicContact CE1-CD2 4.47Å; F397-Y400 VanDerWaalsContact O-CB 3.31Å; F397-Y400 WeakPolarHBondContact O-CB 3.26Å; F397-Y400 PolarHBondContact O-N 3.18Å; F397-Y400 VanDerWaalsContact O-N 3.08Å; Y400-N474 PolarHBondContact OH-ND2 3.47Å; Y400-V484 HydrophobicContact CD2-CG1 3.45Å; Y400-V484 VanDerWaalsContact CD2-CG1 3.45Å; Y400-V484 HydrophobicContact CE2-CG1 3.76Å; Y400-V485 WeakPolarHBondContact CE2-O 3.4Å; Y400-V485 VanDerWaalsContact CZ-O 3.28Å; Y400-V485 PolarHBondContact OH-O 3.42Å; Y400-Q486 HydrophobicContact CD2-CG 4.11Å; Y400-Q486 HydrophobicContact CE2-CG 3.63Å
401E88.4Confident90.3Very high149 Ų14977.1 Ų77.170%0.69639%0.394SS*.  trans-130.5135.3168.1-66.6176.8177.700107.6G403 Q486E401-G403 PolarHBondContact O-N 3.46Å; E401-Q486 WeakPolarHBondContact O-CG 3.34Å
402A87.6Confident90.5Very high35 Ų3578.9 Ų78.929%0.28940%0.401SS..  trans-65-31178.100000111.5L470 F487A402-L470 HydrophobicContact CB-CD1 4.3Å; A402-L470 HydrophobicContact CB-CD2 4.39Å; A402-F487 HydrophobicContact CB-CD2 4.42Å; A402-F487 WeakPolarHBondContact O-CB 3.47Å; A402-F487 VanDerWaalsContact O-CD2 3.25Å; A402-F487 WeakPolarHBondContact O-CD2 3.35Å; A402-F487 PolarHBondContact O-N 3.33Å
403G90.5Very high90.8Very high50 Ų5074.6 Ų74.652%0.51538%0.384SS..  trans85.9-176-176.900000113.2E401E401-G403 PolarHBondContact O-N 3.46Å
404E89.8Confident91Very high156 Ų15666.1 Ų66.173%0.72935%0.352SS*.SBendtrans-72.6135.8175.5-67.7178.517600110.4T406 F487E404-T406 PolarHBondContact O-N 3.46Å; E404-F487 WeakPolarHBondContact O-CB 3.42Å; E404-F487 VanDerWaalsContact O-CG 3.24Å; E404-F487 WeakPolarHBondContact O-CG 3.48Å
405P90.3Very high91.3Very high72 Ų7262.6 Ų62.647%0.46834%0.336SS..  trans-65.5129.3-175.831.3-36.9000110.5E463 F487P405-E463 HydrophobicContact CB-CG 4.25Å; P405-E463 VanDerWaalsContact CB-OE1 3.23Å; P405-E463 WeakPolarHBondContact CB-OE1 3.49Å; P405-E463 WeakPolarHBondContact CG-OE1 3.37Å; P405-F487 HydrophobicContact CB-CD2 4.49Å; P405-F487 HydrophobicContact CB-CE1 4.35Å; P405-F487 HydrophobicContact CB-CE2 4.03Å; P405-F487 HydrophobicContact CB-CZ 3.96Å
406T92.5Very high91.4Very high32 Ų3268.3 Ų68.320%0.19635%0.35CS..  trans-146.9159.3-17955.40000109.5E404 R408 A466 F487 A488E404-T406 PolarHBondContact O-N 3.46Å; T406-R408 PolarHBondContact O-N 2.93Å; T406-R408 VanDerWaalsContact O-N 3.15Å; T406-R408 PolarHBondContact OG1-O 3.21Å; T406-A466 VanDerWaalsContact O-CB 3.24Å; T406-A466 WeakPolarHBondContact O-CB 3.38Å; T406-F487 WeakPolarHBondContact O-CD1 3.33Å; T406-A488 PolarHBondContact OG1-O 3.02Å
407C91.3Very high91.5Very high54 Ų5471 Ų7137%0.36536%0.359SS..SBendtrans-69.3-6176.4-49.30000113.7L460 E463C407-L460 WeakPolarHBondContact CB-O 3.42Å; C407-L460 WeakPolarHBondContact O-CA 3.48Å; C407-L460 WeakPolarHBondContact O-CB 3.35Å; C407-L460 PolarHBondContact O-N 3.42Å; C407-E463 PolarHBondContact SG-N 2.84Å
408R93Very high91.7Very high85 Ų8570.4 Ų70.432%0.32136%0.356SS..EExtended strand (participates in β ladder)trans-115.8127.6-176.7-167.6175.7-169.6170.86.4110.3T406 V458 A488T406-R408 PolarHBondContact O-N 2.93Å; T406-R408 VanDerWaalsContact O-N 3.15Å; T406-R408 PolarHBondContact OG1-O 3.21Å; R408-V458 CarbonylContact C-O 3.57Å; R408-V458 WeakPolarHBondContact CA-O 3.27Å; R408-V458 WeakPolarHBondContact CG-O 3.3Å; R408-A488 HydrophobicContact CB-CB 3.98Å; R408-A488 HydrophobicContact CG-CB 3.89Å; R408-A488 VanDerWaalsContact O-CB 3.27Å; R408-A488 WeakPolarHBondContact O-CB 3.19Å; R408-A488 PolarHBondContact O-N 3.36Å
409L94.8Very high92Very high0 Ų067.2 Ų67.20%034%0.344CS..EExtended strand (participates in β ladder)trans-98.7149.4176.5-59.9177.9000111.1Y427 F457 V458 L460 A466 A469 L470 V485 Q486 F487L409-Y427 HydrophobicContact CD1-CD1 4.37Å; L409-Y427 HydrophobicContact CD1-CE1 3.81Å; L409-F457 CarbonylContact O-C 3.56Å; L409-F457 WeakPolarHBondContact O-CA 3.14Å; L409-V458 HydrophobicContact CB-CB 4.34Å; L409-V458 PolarHBondContact N-O 3.27Å; L409-V458 PolarHBondContact O-N 3.08Å; L409-L460 HydrophobicContact CD1-CD1 3.75Å; L409-L460 HydrophobicContact CG-CD1 4.25Å; L409-A466 HydrophobicContact CD2-CB 4.14Å; L409-A466 HydrophobicContact CG-CB 4.26Å; L409-A469 HydrophobicContact CD1-CB 3.78Å; L409-L470 HydrophobicContact CD2-CB 4.17Å; L409-L470 HydrophobicContact CD2-CD1 4.18Å; L409-V485 HydrophobicContact CB-CG1 4.34Å; L409-V485 HydrophobicContact CD1-CG1 4.12Å; L409-V485 HydrophobicContact CD2-CG1 4.37Å; L409-Q486 CarbonylContact C-O 3.5Å; L409-Q486 WeakPolarHBondContact CA-O 3.27Å; L409-F487 HydrophobicContact CD2-CD1 3.72Å; L409-F487 HydrophobicContact CD2-CE1 3.95Å
410Y94.9Very high92.2Very high35 Ų3564 Ų6414%0.13732%0.323CS..EExtended strand (participates in β ladder)trans-120.9113.3173.9173.2-131.2000108.7K412 Q455 A456 F457 Q486Y410-K412 HydrophobicContact CD1-CD 4.26Å; Y410-K412 HydrophobicContact CD1-CG 4.32Å; Y410-K412 HydrophobicContact CE1-CD 3.66Å; Y410-K412 HydrophobicContact CE1-CG 3.72Å; Y410-K412 HydrophobicContact CE2-CG 4.27Å; Y410-K412 WeakPolarHBondContact OH-CE 3.38Å; Y410-Q455 HydrophobicContact CE2-CB 3.97Å; Y410-Q455 HydrophobicContact CE2-CG 4.46Å; Y410-Q455 PolarHBondContact OH-OE1 3.21Å; Y410-A456 WeakPolarHBondContact CD2-O 3.23Å; Y410-F457 AromaticContact CD2-CD1 3.92Å; Y410-F457 HydrophobicContact CD2-CD1 3.92Å; Y410-F457 AromaticContact CD2-CE1 3.44Å; Y410-F457 HydrophobicContact CD2-CE1 3.44Å; Y410-F457 VanDerWaalsContact CD2-CE1 3.44Å; Y410-F457 HydrophobicContact CD2-CE2 4.15Å; Y410-F457 HydrophobicContact CD2-CG 4.46Å; Y410-F457 AromaticContact CD2-CZ 3.58Å; Y410-F457 HydrophobicContact CD2-CZ 3.58Å; Y410-F457 HydrophobicContact CE2-CE1 4.16Å; Y410-F457 HydrophobicContact CE2-CE2 4.25Å; Y410-F457 AromaticContact CE2-CZ 3.82Å; Y410-F457 HydrophobicContact CE2-CZ 3.82Å; Y410-F457 HydrophobicContact CG-CD1 4.41Å; Y410-F457 AromaticContact CG-CE1 3.91Å; Y410-F457 HydrophobicContact CG-CE1 3.91Å; Y410-F457 HydrophobicContact CG-CZ 4.39Å; Y410-Q486 PolarHBondContact N-O 2.85Å; Y410-Q486 PolarHBondContact O-N 3.34Å
411V94.8Very high92.3Very high0 Ų068.7 Ų68.70%035%0.345CS..EExtended strand (participates in β ladder)trans-105126.4-174.7-1730000108.8I414 Y427 Q455 A456 V458 L483 V485V411-I414 HydrophobicContact CB-CD1 4.14Å; V411-I414 HydrophobicContact CG1-CD1 3.91Å; V411-I414 HydrophobicContact CG1-CG1 3.91Å; V411-Y427 HydrophobicContact CG2-CE2 4Å; V411-Y427 WeakPolarHBondContact CG2-OH 3.3Å; V411-Q455 CarbonylContact O-C 3.58Å; V411-Q455 VanDerWaalsContact O-CA 3.25Å; V411-Q455 WeakPolarHBondContact O-CA 3.13Å; V411-A456 HydrophobicContact CB-CB 4.41Å; V411-A456 PolarHBondContact N-O 2.95Å; V411-A456 PolarHBondContact O-N 3.47Å; V411-V458 HydrophobicContact CG2-CG2 4.22Å; V411-L483 HydrophobicContact CG1-CB 4.3Å; V411-L483 HydrophobicContact CG1-CD1 4.49Å; V411-L483 HydrophobicContact CG1-CD2 4.08Å; V411-V485 HydrophobicContact CG1-CG2 4.28Å; V411-V485 HydrophobicContact CG2-CG1 4.43Å; V411-V485 HydrophobicContact CG2-CG2 4.36Å
412K94.3Very high92.5Very high64 Ų6464 Ų6428%0.27833%0.325SS..EExtended strand (participates in β ladder)trans-115.7165-179.2-79.4162.8156.6152.30110.7Y410 I414 V484Y410-K412 HydrophobicContact CD1-CD 4.26Å; Y410-K412 HydrophobicContact CD1-CG 4.32Å; Y410-K412 HydrophobicContact CE1-CD 3.66Å; Y410-K412 HydrophobicContact CE1-CG 3.72Å; Y410-K412 HydrophobicContact CE2-CG 4.27Å; Y410-K412 WeakPolarHBondContact OH-CE 3.38Å; K412-I414 VanDerWaalsContact C-N 3.32Å; K412-I414 PolarHBondContact O-N 3.15Å; K412-V484 HydrophobicContact CB-CB 4.02Å; K412-V484 PolarHBondContact N-O 3.02Å; K412-V484 PolarHBondContact O-N 3.32Å
413N94.4Very high92.7Very high39 Ų3962.3 Ų62.321%0.20931%0.311CS..SBendtrans64.531.1175-166.339.5000114.5V396 G454 P482 V484V396-N413 HydrophobicContact CG1-CB 4Å; N413-G454 PolarHBondContact N-O 3.49Å; N413-P482 PolarHBondContact ND2-O 3.48Å; N413-V484 HydrophobicContact CB-CG2 4.18Å
414I94.7Very high92.8Very high4 Ų467.2 Ų67.22%0.02131%0.314CS..  trans-71142.3178.2-53.4173.2000109.6V411 K412 V418 L423 L446 G454 A456 L483V411-I414 HydrophobicContact CB-CD1 4.14Å; V411-I414 HydrophobicContact CG1-CD1 3.91Å; V411-I414 HydrophobicContact CG1-CG1 3.91Å; K412-I414 VanDerWaalsContact C-N 3.32Å; K412-I414 PolarHBondContact O-N 3.15Å; I414-V418 HydrophobicContact CG2-CB 3.52Å; I414-V418 HydrophobicContact CG2-CG1 3.53Å; I414-V418 HydrophobicContact CG2-CG2 3.76Å; I414-L423 HydrophobicContact CD1-CD1 4.08Å; I414-L423 HydrophobicContact CD1-CD2 4.43Å; I414-L446 HydrophobicContact CD1-CD1 3.83Å; I414-L446 HydrophobicContact CG2-CD1 4.3Å; I414-G454 WeakPolarHBondContact CB-O 3.43Å; I414-G454 PolarHBondContact N-O 3.36Å; I414-A456 HydrophobicContact CD1-CB 3.42Å; I414-A456 VanDerWaalsContact CD1-CB 3.42Å; I414-L483 HydrophobicContact CB-CD2 4.41Å; I414-L483 HydrophobicContact CG1-CD2 3.86Å
415A94.1Very high92.9Very high5 Ų563.3 Ų63.34%0.04129%0.293CS..  trans-69.5152.9175.600000111.8Q417 V418 H479 K481A415-Q417 VanDerWaalsContact C-N 3.27Å; A415-Q417 HydrophobicContact CB-CG 4.27Å; A415-Q417 PolarHBondContact O-N 3.48Å; A415-V418 HydrophobicContact CB-CG2 3.93Å; A415-V418 WeakPolarHBondContact O-CB 3.38Å; A415-V418 PolarHBondContact O-N 2.87Å; A415-H479 HydrophobicContact CB-CB 3.81Å; A415-K481 HydrophobicContact CB-CB 4.4Å; A415-K481 HydrophobicContact CB-CD 3.67Å; A415-K481 HydrophobicContact CB-CG 4.23Å
416K91.4Very high93Very high205 Ų20560 Ų6089%0.89127%0.271SS*.THydrogen-bonded Turntrans-68-29.2-176.4-173.8-175.3173.7-166.40112.5V418K416-V418 VanDerWaalsContact C-N 3.25Å; K416-V418 PolarHBondContact O-N 3.46Å
417Q91.8Very high92.9Very high119 Ų11958.5 Ų58.556%0.55626%0.262SS*.THydrogen-bonded Turntrans-75-13178.262.3-132.540.900114A415 H479A415-Q417 VanDerWaalsContact C-N 3.27Å; A415-Q417 HydrophobicContact CB-CG 4.27Å; A415-Q417 PolarHBondContact O-N 3.48Å; Q417-H479 HydrophobicContact CG-CB 3.94Å; Q417-H479 PolarHBondContact NE2-ND1 3.35Å
418V93Very high92.8Very high2 Ų256.6 Ų56.61%0.01225%0.251CS..  trans-70135.9-178.6173.10000110.1I414 A415 K416 D422 L423 L446 L478I414-V418 HydrophobicContact CG2-CB 3.52Å; I414-V418 HydrophobicContact CG2-CG1 3.53Å; I414-V418 HydrophobicContact CG2-CG2 3.76Å; A415-V418 HydrophobicContact CB-CG2 3.93Å; A415-V418 WeakPolarHBondContact O-CB 3.38Å; A415-V418 PolarHBondContact O-N 2.87Å; K416-V418 VanDerWaalsContact C-N 3.25Å; K416-V418 PolarHBondContact O-N 3.46Å; V418-D422 WeakPolarHBondContact CA-OD2 3.11Å; V418-D422 HydrophobicContact CG1-CB 4.14Å; V418-L423 HydrophobicContact CG1-CD2 4.36Å; V418-L423 HydrophobicContact CG1-CG 4.12Å; V418-L446 WeakPolarHBondContact O-CD2 3.28Å; V418-L478 HydrophobicContact CB-CD2 4.4Å; V418-L478 HydrophobicContact CG1-CD2 3.86Å; V418-L478 HydrophobicContact CG2-CD2 3.55Å; V418-L478 HydrophobicContact CG2-CG 3.81Å
419E93.5Very high92.5Very high90 Ų9055.7 Ų55.742%0.42125%0.248SC..  trans-105.3167.6171.6-58-162.215300111.7K421 D422E419-K421 PolarHBondContact O-N 2.94Å; E419-D422 PolarHBondContact N-OD2 3.41Å; E419-D422 PolarHBondContact O-N 2.86Å
420E91.3Very high92.2Very high90 Ų9056.5 Ų56.542%0.42125%0.251SS..Hα-helixtrans-60.1-31.2175.1-166.8-171.7132.900111.6D422 L423 R424 V444E420-D422 VanDerWaalsContact C-N 3.34Å; E420-D422 PolarHBondContact O-N 3.48Å; E420-L423 PolarHBondContact O-N 3.04Å; E420-R424 WeakPolarHBondContact O-CB 3.29Å; E420-R424 PolarHBondContact O-N 3.44Å; E420-V444 VanDerWaalsContact CD-O 3.25Å; E420-V444 HydrophobicContact CG-CB 3.98Å; E420-V444 HydrophobicContact CG-CG1 3.76Å
421K91.8Very high91.8Very high156 Ų15655.6 Ų55.668%0.67825%0.249SC*.Hα-helixtrans-59.5-41.1176.5-62.7179.5-179.31760112.4E419 R424 Y425E419-K421 PolarHBondContact O-N 2.94Å; K421-R424 CarbonylContact O-C 3.5Å; K421-R424 WeakPolarHBondContact O-CB 3.44Å; K421-R424 PolarHBondContact O-N 3.14Å; K421-Y425 WeakPolarHBondContact O-CB 3.42Å; K421-Y425 PolarHBondContact O-N 3.06Å
422D92.5Very high91.1Very high51 Ų5159.5 Ų59.527%0.27327%0.269SS..Hα-helixtrans-69.1-38.4-179.5-49.9-40.4000111.2V418 E419 E420 R424 Y425 I426V418-D422 WeakPolarHBondContact CA-OD2 3.11Å; V418-D422 HydrophobicContact CG1-CB 4.14Å; E419-D422 PolarHBondContact N-OD2 3.41Å; E419-D422 PolarHBondContact O-N 2.86Å; E420-D422 VanDerWaalsContact C-N 3.34Å; E420-D422 PolarHBondContact O-N 3.48Å; D422-R424 VanDerWaalsContact C-N 3.31Å; D422-Y425 WeakPolarHBondContact O-CB 3.48Å; D422-Y425 PolarHBondContact O-N 3.12Å; D422-I426 WeakPolarHBondContact O-CG1 3.43Å; D422-I426 PolarHBondContact O-N 3.08Å; D422-I426 VanDerWaalsContact O-N 3.1Å
423L92.6Very high90.1Very high0 Ų059 Ų590%027%0.273CS..Hα-helixtrans-68.1-36.5174.7-64.8177.8000111.2I414 V418 E420 I426 Y427 V444 L446 A456 L478I414-L423 HydrophobicContact CD1-CD1 4.08Å; I414-L423 HydrophobicContact CD1-CD2 4.43Å; V418-L423 HydrophobicContact CG1-CD2 4.36Å; V418-L423 HydrophobicContact CG1-CG 4.12Å; E420-L423 PolarHBondContact O-N 3.04Å; L423-I426 PolarHBondContact O-N 3.3Å; L423-Y427 HydrophobicContact CD2-CE2 4.47Å; L423-Y427 WeakPolarHBondContact O-CB 2.96Å; L423-Y427 VanDerWaalsContact O-CD2 3.31Å; L423-Y427 WeakPolarHBondContact O-CD2 3.28Å; L423-Y427 PolarHBondContact O-N 2.89Å; L423-V444 HydrophobicContact CB-CG1 3.83Å; L423-V444 HydrophobicContact CD1-CG1 4.06Å; L423-L446 HydrophobicContact CD1-CB 4.31Å; L423-L446 HydrophobicContact CD1-CD1 4.11Å; L423-A456 HydrophobicContact CD1-CB 3.54Å; L423-L478 HydrophobicContact CD2-CD2 4.37Å
424R91.8Very high89.2Confident152 Ų15262.6 Ų62.657%0.57430%0.301SS*.Hα-helixtrans-67.4-35.6174.8-179.4148.1161.1-167.9-5.1112.2E420 K421 D422 G428 F442E420-R424 WeakPolarHBondContact O-CB 3.29Å; E420-R424 PolarHBondContact O-N 3.44Å; K421-R424 CarbonylContact O-C 3.5Å; K421-R424 WeakPolarHBondContact O-CB 3.44Å; K421-R424 PolarHBondContact O-N 3.14Å; D422-R424 VanDerWaalsContact C-N 3.31Å; R424-G428 VanDerWaalsContact O-CA 3.23Å; R424-G428 WeakPolarHBondContact O-CA 3.39Å; R424-G428 PolarHBondContact O-N 3.4Å; R424-F442 HydrophobicContact CB-CE1 4.5Å; R424-F442 HydrophobicContact CG-CE1 3.85Å; R424-F442 HydrophobicContact CG-CZ 4.33Å
425Y91.6Very high88.5Confident75 Ų7564.3 Ų64.329%0.29431%0.313SS..Hα-helixtrans-61.6-41.7171-179.6-102.4000112.1D374 V375 I376 K421 D422D374-Y425 VanDerWaalsContact C-CD2 3.42Å; D374-Y425 WeakPolarHBondContact O-CD2 3.28Å; V375-Y425 PolarHBondContact O-OH 3.42Å; I376-Y425 HydrophobicContact CB-CD1 3.85Å; I376-Y425 HydrophobicContact CB-CE1 3.48Å; I376-Y425 VanDerWaalsContact CB-CE1 3.48Å; I376-Y425 HydrophobicContact CD1-CD1 4.38Å; I376-Y425 HydrophobicContact CD1-CE1 4.01Å; I376-Y425 HydrophobicContact CG1-CD1 4.45Å; I376-Y425 HydrophobicContact CG1-CE1 3.82Å; I376-Y425 PolarHBondContact N-O 2.89Å; K421-Y425 WeakPolarHBondContact O-CB 3.42Å; K421-Y425 PolarHBondContact O-N 3.06Å; D422-Y425 WeakPolarHBondContact O-CB 3.48Å; D422-Y425 PolarHBondContact O-N 3.12Å
426I92.2Very high87.8Confident2 Ų271 Ų711%0.0134%0.344CS..Hα-helixtrans-72.8-54.7179.6-65.9164.7000111.7I376 L381 D422 L423 G428 T473 F476 L478 L483I376-I426 HydrophobicContact CD1-CG1 4.18Å; I376-I426 WeakPolarHBondContact CG2-O 3.27Å; L381-I426 HydrophobicContact CD1-CG2 4.24Å; D422-I426 WeakPolarHBondContact O-CG1 3.43Å; D422-I426 PolarHBondContact O-N 3.08Å; D422-I426 VanDerWaalsContact O-N 3.1Å; L423-I426 PolarHBondContact O-N 3.3Å; I426-G428 VanDerWaalsContact C-N 3.34Å; I426-T473 HydrophobicContact CG2-CG2 3.72Å; I426-F476 HydrophobicContact CD1-CD1 4.24Å; I426-F476 HydrophobicContact CD1-CE1 3.89Å; I426-L478 HydrophobicContact CD1-CD1 4.22Å; I426-L478 HydrophobicContact CD1-CD2 3.94Å; I426-L483 HydrophobicContact CD1-CD1 4.46Å
427Y91.8Very high87.2Confident0 Ų064.1 Ų64.10%033%0.325CS..Hα-helixtrans-82.2-14.1-173.1-71.1-74.7000113.4L409 V411 L423 R429 Y430 V458 A469 T473 V485L409-Y427 HydrophobicContact CD1-CD1 4.37Å; L409-Y427 HydrophobicContact CD1-CE1 3.81Å; V411-Y427 HydrophobicContact CG2-CE2 4Å; V411-Y427 WeakPolarHBondContact CG2-OH 3.3Å; L423-Y427 HydrophobicContact CD2-CE2 4.47Å; L423-Y427 WeakPolarHBondContact O-CB 2.96Å; L423-Y427 VanDerWaalsContact O-CD2 3.31Å; L423-Y427 WeakPolarHBondContact O-CD2 3.28Å; L423-Y427 PolarHBondContact O-N 2.89Å; Y427-R429 PolarHBondContact O-N 2.89Å; Y427-R429 VanDerWaalsContact O-N 3.16Å; Y427-Y430 HydrophobicContact CD1-CD2 4.13Å; Y427-Y430 HydrophobicContact CD1-CE2 4.24Å; Y427-Y430 PolarHBondContact O-N 2.88Å; Y427-Y430 VanDerWaalsContact O-N 3.14Å; Y427-V458 HydrophobicContact CD1-CG1 4.2Å; Y427-V458 HydrophobicContact CD2-CG1 4.21Å; Y427-V458 HydrophobicContact CD2-CG2 3.8Å; Y427-V458 HydrophobicContact CE2-CG2 3.94Å; Y427-V458 HydrophobicContact CG-CG1 3.85Å; Y427-V458 HydrophobicContact CG-CG2 4.29Å; Y427-A469 HydrophobicContact CD1-CB 4.1Å; Y427-A469 HydrophobicContact CE1-CB 4.09Å; Y427-T473 HydrophobicContact CD1-CG2 4.44Å; Y427-T473 HydrophobicContact CE1-CG2 3.79Å; Y427-T473 PolarHBondContact OH-OG1 3.19Å; Y427-T473 VanDerWaalsContact OH-OG1 3.06Å; Y427-V485 WeakPolarHBondContact OH-CG2 3.37Å
428G87.9Confident86.7Confident14 Ų1460 Ų6014%0.14431%0.305CS..G310 helixtrans-57.5-24.3173.100000113.4R424 I426 Y430 I431R424-G428 VanDerWaalsContact O-CA 3.23Å; R424-G428 WeakPolarHBondContact O-CA 3.39Å; R424-G428 PolarHBondContact O-N 3.4Å; I426-G428 VanDerWaalsContact C-N 3.34Å; G428-Y430 PolarHBondContact O-N 3.2Å; G428-I431 PolarHBondContact O-N 2.65Å
429R87.4Confident86.2Confident67 Ų6766.9 Ų66.925%0.25333%0.331SS..G310 helixtrans-62.6-26.9177.1-170.5177.7-179.478.313.1113.6D370 V375 I376 Y427 I431D370-R429 IonicContact OD1-NH1 3.47Å; D370-R429 PolarHBondContact OD1-NH1 3.48Å; V375-R429 HydrophobicContact CG1-CB 3.56Å; V375-R429 HydrophobicContact CG1-CG 4.3Å; I376-R429 HydrophobicContact CG2-CB 4.39Å; I376-R429 WeakPolarHBondContact O-CD 3.48Å; I376-R429 PolarHBondContact O-NH1 3.43Å; I376-R429 VanDerWaalsContact O-NH1 3.13Å; Y427-R429 PolarHBondContact O-N 2.89Å; Y427-R429 VanDerWaalsContact O-N 3.16Å; R429-I431 VanDerWaalsContact C-N 3.28Å; R429-I431 PolarHBondContact O-N 3.37Å
430Y88.5Confident85.7Confident17 Ų1768.6 Ų68.67%0.06734%0.343CS..G310 helixtrans-93.612.7-173.6-54.4-72.3000113.1Y427 G428 K468 A469 E472 T473Y427-Y430 HydrophobicContact CD1-CD2 4.13Å; Y427-Y430 HydrophobicContact CD1-CE2 4.24Å; Y427-Y430 PolarHBondContact O-N 2.88Å; Y427-Y430 VanDerWaalsContact O-N 3.14Å; G428-Y430 PolarHBondContact O-N 3.2Å; Y430-K468 HydrophobicContact CD1-CB 4.43Å; Y430-K468 HydrophobicContact CD1-CD 4.25Å; Y430-K468 HydrophobicContact CD1-CG 4.27Å; Y430-K468 HydrophobicContact CE1-CB 4.44Å; Y430-K468 HydrophobicContact CE1-CD 4.25Å; Y430-K468 HydrophobicContact CE1-CG 3.98Å; Y430-A469 HydrophobicContact CD1-CB 4.06Å; Y430-A469 HydrophobicContact CD2-CB 3.45Å; Y430-A469 VanDerWaalsContact CD2-CB 3.45Å; Y430-A469 HydrophobicContact CE1-CB 4.14Å; Y430-A469 HydrophobicContact CE2-CB 3.52Å; Y430-A469 HydrophobicContact CG-CB 3.73Å; Y430-A469 VanDerWaalsContact CZ-CA 3.49Å; Y430-E472 VanDerWaalsContact CE1-OE2 3.23Å; Y430-E472 WeakPolarHBondContact CE1-OE2 3.41Å; Y430-E472 VanDerWaalsContact OH-CB 3.28Å; Y430-E472 WeakPolarHBondContact OH-CB 2.98Å; Y430-E472 PolarHBondContact OH-OE2 3.46Å; Y430-T473 HydrophobicContact CE2-CG2 4.12Å
431I86.6Confident85.3Confident16 Ų1670.1 Ų70.18%0.08235%0.352CS..SBendtrans-127.7136.8-178.4-66135000108.2G428 R429 P433 E438 F442 L460 P461G428-I431 PolarHBondContact O-N 2.65Å; R429-I431 VanDerWaalsContact C-N 3.28Å; R429-I431 PolarHBondContact O-N 3.37Å; I431-P433 VanDerWaalsContact O-CD 3.26Å; I431-P433 WeakPolarHBondContact O-CD 3.47Å; I431-E438 HydrophobicContact CG2-CB 3.97Å; I431-F442 HydrophobicContact CD1-CB 3.75Å; I431-F442 HydrophobicContact CD1-CD1 3.79Å; I431-F442 HydrophobicContact CD1-CD2 3.08Å; I431-F442 HydrophobicContact CD1-CE1 4.06Å; I431-F442 HydrophobicContact CD1-CE2 3.39Å; I431-F442 HydrophobicContact CD1-CG 3.26Å; I431-F442 HydrophobicContact CD1-CZ 3.86Å; I431-F442 HydrophobicContact CG1-CB 4.27Å; I431-F442 HydrophobicContact CG1-CD2 4.2Å; I431-F442 HydrophobicContact CG1-CG 4.28Å; I431-L460 HydrophobicContact CD1-CD2 4.01Å; I431-L460 HydrophobicContact CG1-CD2 4.17Å; I431-P461 HydrophobicContact CG1-CG 4.39Å
432N80.8Confident85.3Confident81 Ų8164.2 Ų64.243%0.43333%0.326SS..  trans-80.2113.6173.9-59.7-50.1000108.6S434 S435 E438N432-S434 PolarHBondContact O-N 3.32Å; N432-S434 VanDerWaalsContact O-N 3.08Å; N432-S435 PolarHBondContact O-N 3.22Å; N432-S435 VanDerWaalsContact O-N 3.17Å; N432-E438 WeakPolarHBondContact CB-OE2 3.34Å; N432-E438 PolarHBondContact N-OE2 2.82Å; N432-E438 PolarHBondContact ND2-OE1 3.02Å; N432-E438 PolarHBondContact ND2-OE2 3.48Å; N432-E438 VanDerWaalsContact ND2-OE2 3.17Å
433P72.9Confident85.1Confident55 Ų5565.6 Ų65.636%0.35733%0.334SS..THydrogen-bonded Turntrans-63-19.2-179.825.9-33.6000111.9I431 S435 R439I431-P433 VanDerWaalsContact O-CD 3.26Å; I431-P433 WeakPolarHBondContact O-CD 3.47Å; P433-S435 VanDerWaalsContact C-N 3.32Å; P433-S435 PolarHBondContact O-N 3.45Å; P433-R439 PolarHBondContact O-NE 3.23Å; P433-R439 PolarHBondContact O-NH2 3.46Å
434S75.6Confident85.1Confident114 Ų11465.8 Ų65.880%0.79734%0.335SS*.THydrogen-bonded Turntrans-74.1-20.2179.5-54.50000113.9N432N432-S434 PolarHBondContact O-N 3.32Å; N432-S434 VanDerWaalsContact O-N 3.08Å
435S80.6Confident85.2Confident39 Ų3961.1 Ų61.127%0.27332%0.323SS..  trans-98.9112.4-176.8-177.30000111.4N432 P433 A437 E438 R439N432-S435 PolarHBondContact O-N 3.22Å; N432-S435 VanDerWaalsContact O-N 3.17Å; P433-S435 VanDerWaalsContact C-N 3.32Å; P433-S435 PolarHBondContact O-N 3.45Å; S435-A437 VanDerWaalsContact C-N 3.26Å; S435-A437 PolarHBondContact O-N 3.47Å; S435-E438 PolarHBondContact O-N 3.22Å; S435-R439 PolarHBondContact O-N 2.87Å
436E78.1Confident85.3Confident147 Ų14758.8 Ų58.869%0.68732%0.316SS*.Hα-helixtrans-61.5-35.3176.3-170.3179.6176.100112.1E438 R439 N440E436-E438 PolarHBondContact O-N 3.35Å; E436-R439 PolarHBondContact O-N 2.9Å; E436-N440 PolarHBondContact O-N 3.27Å; E436-N440 PolarHBondContact O-ND2 3.41Å
437A78.4Confident85.3Confident59 Ų5961.2 Ų61.249%0.48833%0.328SS..Hα-helixtrans-63.2-40.6177.300000112.3S435 N440 M441S435-A437 VanDerWaalsContact C-N 3.26Å; S435-A437 PolarHBondContact O-N 3.47Å; A437-N440 PolarHBondContact O-N 3.13Å; A437-M441 WeakPolarHBondContact O-CG 3.31Å; A437-M441 PolarHBondContact O-N 3Å
438E81.8Confident85.2Confident32 Ų3267.2 Ų67.215%0.1535%0.354CS..Hα-helixtrans-71.1-35.9178.2-67.5-174.6-157.500112.1I431 N432 S435 E436 N440 M441 F442 P461I431-E438 HydrophobicContact CG2-CB 3.97Å; N432-E438 WeakPolarHBondContact CB-OE2 3.34Å; N432-E438 PolarHBondContact N-OE2 2.82Å; N432-E438 PolarHBondContact ND2-OE1 3.02Å; N432-E438 PolarHBondContact ND2-OE2 3.48Å; N432-E438 VanDerWaalsContact ND2-OE2 3.17Å; S435-E438 PolarHBondContact O-N 3.22Å; E436-E438 PolarHBondContact O-N 3.35Å; E438-N440 VanDerWaalsContact C-N 3.35Å; E438-M441 PolarHBondContact O-N 3.33Å; E438-F442 PolarHBondContact O-N 2.91Å; E438-F442 VanDerWaalsContact O-N 3.15Å; E438-P461 HydrophobicContact CB-CB 4.16Å; E438-P461 HydrophobicContact CB-CG 4.06Å; E438-P461 HydrophobicContact CG-CB 3.96Å; E438-P461 HydrophobicContact CG-CG 4.02Å
439R81.8Confident85.3Confident147 Ų14774.5 Ų74.556%0.55538%0.384SS*.Hα-helixtrans-62.7-41.3173.1-71.1-178.8177.6-168.60.3112P433 S435 E436 M441 F442P433-R439 PolarHBondContact O-NE 3.23Å; P433-R439 PolarHBondContact O-NH2 3.46Å; S435-R439 PolarHBondContact O-N 2.87Å; E436-R439 PolarHBondContact O-N 2.9Å; R439-M441 VanDerWaalsContact C-N 3.34Å; R439-F442 PolarHBondContact O-N 3.17Å
440N83.4Confident85.5Confident126 Ų12674.1 Ų74.167%0.67440%0.4SS*.Hα-helixtrans-68.9-31.3179.3-73.5-19.2000112.8E436 A437 E438 F442E436-N440 PolarHBondContact O-N 3.27Å; E436-N440 PolarHBondContact O-ND2 3.41Å; A437-N440 PolarHBondContact O-N 3.13Å; E438-N440 VanDerWaalsContact C-N 3.35Å; N440-F442 VanDerWaalsContact C-N 3.33Å
441M84Confident85.5Confident122 Ų12285 Ų8560%0.60144%0.442SS*.Hα-helixtrans-80-16175.9-69.5-175178.900113.5A437 E438 R439 D443 P461A437-M441 WeakPolarHBondContact O-CG 3.31Å; A437-M441 PolarHBondContact O-N 3Å; E438-M441 PolarHBondContact O-N 3.33Å; R439-M441 VanDerWaalsContact C-N 3.34Å; M441-D443 PolarHBondContact O-N 2.83Å; M441-P461 HydrophobicContact CB-CB 4.17Å; M441-P461 HydrophobicContact SD-CB 4.25Å
442F90.2Very high85.7Confident33 Ų3387.9 Ų87.915%0.14546%0.456CS..  trans-81.7116.5178.6177.2-118000111.5R424 I431 E438 R439 N440 V444 V458 G459 L460R424-F442 HydrophobicContact CB-CE1 4.5Å; R424-F442 HydrophobicContact CG-CE1 3.85Å; R424-F442 HydrophobicContact CG-CZ 4.33Å; I431-F442 HydrophobicContact CD1-CB 3.75Å; I431-F442 HydrophobicContact CD1-CD1 3.79Å; I431-F442 HydrophobicContact CD1-CD2 3.08Å; I431-F442 HydrophobicContact CD1-CE1 4.06Å; I431-F442 HydrophobicContact CD1-CE2 3.39Å; I431-F442 HydrophobicContact CD1-CG 3.26Å; I431-F442 HydrophobicContact CD1-CZ 3.86Å; I431-F442 HydrophobicContact CG1-CB 4.27Å; I431-F442 HydrophobicContact CG1-CD2 4.2Å; I431-F442 HydrophobicContact CG1-CG 4.28Å; E438-F442 PolarHBondContact O-N 2.91Å; E438-F442 VanDerWaalsContact O-N 3.15Å; R439-F442 PolarHBondContact O-N 3.17Å; N440-F442 VanDerWaalsContact C-N 3.33Å; F442-V444 HydrophobicContact CD2-CG2 4.47Å; F442-V444 HydrophobicContact CE1-CG2 3.91Å; F442-V444 HydrophobicContact CE2-CG2 3.67Å; F442-V444 HydrophobicContact CZ-CG2 3.35Å; F442-V458 HydrophobicContact CD2-CG1 4.47Å; F442-V458 HydrophobicContact CE2-CG1 3.86Å; F442-G459 WeakPolarHBondContact CA-O 3.45Å; F442-G459 WeakPolarHBondContact CD2-O 3.39Å; F442-L460 HydrophobicContact CD2-CD2 4.2Å; F442-L460 HydrophobicContact CE2-CD2 4.33Å
443D90.2Very high86.3Confident79 Ų7991 Ų9142%0.42247%0.465SS..EExtended strand (participates in β ladder)trans-134.4135.1-179.8176.935000110M441 V445 V458 G459M441-D443 PolarHBondContact O-N 2.83Å; D443-V445 WeakPolarHBondContact OD2-CG2 3.46Å; D443-V458 CarbonylContact O-C 3.55Å; D443-V458 WeakPolarHBondContact O-CA 3.43Å; D443-G459 PolarHBondContact N-O 3.15Å; D443-G459 PolarHBondContact O-N 3.36Å
444V92.6Very high87.2Confident5 Ų589.3 Ų89.33%0.0346%0.457CS..EExtended strand (participates in β ladder)trans-125.6113.1178.7-177.60000108.9E420 L423 F442 F457 V458E420-V444 VanDerWaalsContact CD-O 3.25Å; E420-V444 HydrophobicContact CG-CB 3.98Å; E420-V444 HydrophobicContact CG-CG1 3.76Å; L423-V444 HydrophobicContact CB-CG1 3.83Å; L423-V444 HydrophobicContact CD1-CG1 4.06Å; F442-V444 HydrophobicContact CD2-CG2 4.47Å; F442-V444 HydrophobicContact CE1-CG2 3.91Å; F442-V444 HydrophobicContact CE2-CG2 3.67Å; F442-V444 HydrophobicContact CZ-CG2 3.35Å; V444-F457 WeakPolarHBondContact CA-O 3.45Å; V444-V458 HydrophobicContact CG1-CG2 4.38Å; V444-V458 HydrophobicContact CG2-CG1 4.31Å; V444-V458 HydrophobicContact CG2-CG2 4.48Å
445V92.9Very high88.1Confident53 Ų5385.7 Ų85.732%0.32143%0.428SS..EExtended strand (participates in β ladder)trans-113.8101.2179.8-176.90000109.4D443 A456 F457D443-V445 WeakPolarHBondContact OD2-CG2 3.46Å; V445-A456 CarbonylContact O-C 3.58Å; V445-A456 WeakPolarHBondContact O-CA 3.42Å; V445-F457 PolarHBondContact N-O 3.44Å; V445-F457 PolarHBondContact O-N 3.33Å
446L93.8Very high88.8Confident27 Ų2783.8 Ų83.814%0.14142%0.415CS..EExtended strand (participates in β ladder)trans-91.7124.4175.1177.263.4000111.3I414 V418 L423 K448 A456I414-L446 HydrophobicContact CD1-CD1 3.83Å; I414-L446 HydrophobicContact CG2-CD1 4.3Å; V418-L446 WeakPolarHBondContact O-CD2 3.28Å; L423-L446 HydrophobicContact CD1-CB 4.31Å; L423-L446 HydrophobicContact CD1-CD1 4.11Å; L446-K448 HydrophobicContact CD2-CG 4.21Å; L446-K448 HydrophobicContact CG-CG 4.21Å; L446-A456 HydrophobicContact CB-CB 4.46Å; L446-A456 HydrophobicContact CD1-CB 4Å
447M92.6Very high89.6Confident53 Ų5378.8 Ų78.826%0.26139%0.391SS..EExtended strand (participates in β ladder)trans-91.9107.5176-61.7179.7177.200110M452 K453 G454 Q455 F457M447-M452 HydrophobicContact CB-CB 4.26Å; M447-M452 WeakPolarHBondContact CB-O 3.29Å; M447-M452 HydrophobicContact CE-CE 3.95Å; M447-M452 HydrophobicContact CE-SD 4.28Å; M447-M452 HydrophobicContact SD-CB 3.43Å; M447-M452 WeakPolarHBondContact SD-CB 3.25Å; M447-M452 HydrophobicContact SD-CE 3.48Å; M447-M452 WeakPolarHBondContact SD-CE 3.35Å; M447-M452 HydrophobicContact SD-CG 4.14Å; M447-M452 HydrophobicContact SD-SD 3.68Å; M447-M452 VanDerWaalsContact SD-SD 3.68Å; M447-K453 CarbonylContact O-C 3.51Å; M447-K453 WeakPolarHBondContact O-CA 3.39Å; M447-G454 PolarHBondContact O-N 3Å; M447-Q455 WeakPolarHBondContact CB-O 3.41Å; M447-Q455 PolarHBondContact N-O 2.88Å; M447-F457 HydrophobicContact CE-CD2 3.8Å; M447-F457 HydrophobicContact CE-CE2 3.54Å; M447-F457 HydrophobicContact SD-CE2 4.28Å
448K90.1Very high90.3Very high125 Ų12576 Ų7654%0.54337%0.368SS..  trans-88.3-23179.7-66.5-170.3175.7-1740113.7L446 K453L446-K448 HydrophobicContact CD2-CG 4.21Å; L446-K448 HydrophobicContact CG-CG 4.21Å; K448-K453 WeakPolarHBondContact O-CB 3.1Å
449E88.9Confident90.9Very high168 Ų16875 Ų7579%0.78537%0.366SS*.SBendtrans-124.3166.8-171.6-60.2-169.7171.800113.7
450G91.4Very high91.4Very high58 Ų5868.3 Ų68.360%0.59834%0.341SS*.G310 helixtrans73.3-160.5175.800000115.2M452 K453G450-M452 PolarHBondContact O-N 3.09Å; G450-K453 WeakPolarHBondContact O-CG 3.42Å; G450-K453 PolarHBondContact O-N 3.25Å
451R89.4Confident91.7Very high246 Ų24663.1 Ų63.193%0.92831%0.314SS*.G310 helixtrans-65.2-26-180-178.4177.3174.4176.6-0.5112.5
452M90.6Very high92Very high77 Ų7761.3 Ų61.338%0.37931%0.307SS..G310 helixtrans-95.112.4-177.3-60.1-176.372.400113.3M447 G450 G454 Q455 F457M447-M452 HydrophobicContact CB-CB 4.26Å; M447-M452 WeakPolarHBondContact CB-O 3.29Å; M447-M452 HydrophobicContact CE-CE 3.95Å; M447-M452 HydrophobicContact CE-SD 4.28Å; M447-M452 HydrophobicContact SD-CB 3.43Å; M447-M452 WeakPolarHBondContact SD-CB 3.25Å; M447-M452 HydrophobicContact SD-CE 3.48Å; M447-M452 WeakPolarHBondContact SD-CE 3.35Å; M447-M452 HydrophobicContact SD-CG 4.14Å; M447-M452 HydrophobicContact SD-SD 3.68Å; M447-M452 VanDerWaalsContact SD-SD 3.68Å; G450-M452 PolarHBondContact O-N 3.09Å; M452-G454 PolarHBondContact O-N 3.34Å; M452-Q455 VanDerWaalsContact O-CB 3.27Å; M452-Q455 WeakPolarHBondContact O-CB 2.93Å; M452-Q455 VanDerWaalsContact O-CG 3.31Å; M452-Q455 WeakPolarHBondContact O-CG 3.48Å; M452-Q455 PolarHBondContact O-N 3.27Å; M452-F457 HydrophobicContact CE-CE2 4.01Å; M452-F457 HydrophobicContact CE-CZ 4.27Å
453K92.2Very high92.1Very high147 Ų14764.4 Ų64.464%0.63932%0.322SS*.THydrogen-bonded Turntrans-55.3139.5178.170.5-179.2-177.2-179.50112.3M447 K448 G450 Q455M447-K453 CarbonylContact O-C 3.51Å; M447-K453 WeakPolarHBondContact O-CA 3.39Å; K448-K453 WeakPolarHBondContact O-CB 3.1Å; G450-K453 WeakPolarHBondContact O-CG 3.42Å; G450-K453 PolarHBondContact O-N 3.25Å; K453-Q455 VanDerWaalsContact C-N 3.33Å
454G91.8Very high92.2Very high18 Ų1871.1 Ų71.119%0.18634%0.341CS..THydrogen-bonded Turntrans72.829-179.400000113N413 I414 M447 M452N413-G454 PolarHBondContact N-O 3.49Å; I414-G454 WeakPolarHBondContact CB-O 3.43Å; I414-G454 PolarHBondContact N-O 3.36Å; M447-G454 PolarHBondContact O-N 3Å; M452-G454 PolarHBondContact O-N 3.34Å
455Q95.1Very high92.2Very high38 Ų3871.6 Ų71.618%0.17835%0.345CS..EExtended strand (participates in β ladder)trans-129.2148.3173.7-53.4172.320.700108.9Y410 V411 M447 M452 K453Y410-Q455 HydrophobicContact CE2-CB 3.97Å; Y410-Q455 HydrophobicContact CE2-CG 4.46Å; Y410-Q455 PolarHBondContact OH-OE1 3.21Å; V411-Q455 CarbonylContact O-C 3.58Å; V411-Q455 VanDerWaalsContact O-CA 3.25Å; V411-Q455 WeakPolarHBondContact O-CA 3.13Å; M447-Q455 WeakPolarHBondContact CB-O 3.41Å; M447-Q455 PolarHBondContact N-O 2.88Å; M452-Q455 VanDerWaalsContact O-CB 3.27Å; M452-Q455 WeakPolarHBondContact O-CB 2.93Å; M452-Q455 VanDerWaalsContact O-CG 3.31Å; M452-Q455 WeakPolarHBondContact O-CG 3.48Å; M452-Q455 PolarHBondContact O-N 3.27Å; K453-Q455 VanDerWaalsContact C-N 3.33Å
456A95.3Very high92.2Very high0 Ų069.1 Ų69.10%033%0.33CS..EExtended strand (participates in β ladder)trans-138.5155.4177.100000111.8Y410 V411 I414 L423 V445 L446Y410-A456 WeakPolarHBondContact CD2-O 3.23Å; V411-A456 HydrophobicContact CB-CB 4.41Å; V411-A456 PolarHBondContact N-O 2.95Å; V411-A456 PolarHBondContact O-N 3.47Å; I414-A456 HydrophobicContact CD1-CB 3.42Å; I414-A456 VanDerWaalsContact CD1-CB 3.42Å; L423-A456 HydrophobicContact CD1-CB 3.54Å; V445-A456 CarbonylContact O-C 3.58Å; V445-A456 WeakPolarHBondContact O-CA 3.42Å; L446-A456 HydrophobicContact CB-CB 4.46Å; L446-A456 HydrophobicContact CD1-CB 4Å
457F94.9Very high92.2Very high42 Ų4272 Ų7218%0.18434%0.343CS..EExtended strand (participates in β ladder)trans-113.9133.4167.2-68.5-83.8000109.2L409 Y410 V444 V445 M447 M452 A488L409-F457 CarbonylContact O-C 3.56Å; L409-F457 WeakPolarHBondContact O-CA 3.14Å; Y410-F457 AromaticContact CD2-CD1 3.92Å; Y410-F457 HydrophobicContact CD2-CD1 3.92Å; Y410-F457 AromaticContact CD2-CE1 3.44Å; Y410-F457 HydrophobicContact CD2-CE1 3.44Å; Y410-F457 VanDerWaalsContact CD2-CE1 3.44Å; Y410-F457 HydrophobicContact CD2-CE2 4.15Å; Y410-F457 HydrophobicContact CD2-CG 4.46Å; Y410-F457 AromaticContact CD2-CZ 3.58Å; Y410-F457 HydrophobicContact CD2-CZ 3.58Å; Y410-F457 HydrophobicContact CE2-CE1 4.16Å; Y410-F457 HydrophobicContact CE2-CE2 4.25Å; Y410-F457 AromaticContact CE2-CZ 3.82Å; Y410-F457 HydrophobicContact CE2-CZ 3.82Å; Y410-F457 HydrophobicContact CG-CD1 4.41Å; Y410-F457 AromaticContact CG-CE1 3.91Å; Y410-F457 HydrophobicContact CG-CE1 3.91Å; Y410-F457 HydrophobicContact CG-CZ 4.39Å; V444-F457 WeakPolarHBondContact CA-O 3.45Å; V445-F457 PolarHBondContact N-O 3.44Å; V445-F457 PolarHBondContact O-N 3.33Å; M447-F457 HydrophobicContact CE-CD2 3.8Å; M447-F457 HydrophobicContact CE-CE2 3.54Å; M447-F457 HydrophobicContact SD-CE2 4.28Å; M452-F457 HydrophobicContact CE-CE2 4.01Å; M452-F457 HydrophobicContact CE-CZ 4.27Å; F457-A488 HydrophobicContact CD1-CB 4.16Å; F457-A488 HydrophobicContact CE1-CB 4.28Å
458V94.2Very high92.2Very high0 Ų074.1 Ų74.10%035%0.351CS..EExtended strand (participates in β ladder)trans-122.4113.6178.6-178.60000108R408 L409 V411 Y427 F442 D443 V444 L460R408-V458 CarbonylContact C-O 3.57Å; R408-V458 WeakPolarHBondContact CA-O 3.27Å; R408-V458 WeakPolarHBondContact CG-O 3.3Å; L409-V458 HydrophobicContact CB-CB 4.34Å; L409-V458 PolarHBondContact N-O 3.27Å; L409-V458 PolarHBondContact O-N 3.08Å; V411-V458 HydrophobicContact CG2-CG2 4.22Å; Y427-V458 HydrophobicContact CD1-CG1 4.2Å; Y427-V458 HydrophobicContact CD2-CG1 4.21Å; Y427-V458 HydrophobicContact CD2-CG2 3.8Å; Y427-V458 HydrophobicContact CE2-CG2 3.94Å; Y427-V458 HydrophobicContact CG-CG1 3.85Å; Y427-V458 HydrophobicContact CG-CG2 4.29Å; F442-V458 HydrophobicContact CD2-CG1 4.47Å; F442-V458 HydrophobicContact CE2-CG1 3.86Å; D443-V458 CarbonylContact O-C 3.55Å; D443-V458 WeakPolarHBondContact O-CA 3.43Å; V444-V458 HydrophobicContact CG1-CG2 4.38Å; V444-V458 HydrophobicContact CG2-CG1 4.31Å; V444-V458 HydrophobicContact CG2-CG2 4.48Å; V458-L460 HydrophobicContact CG1-CD2 4.47Å; V458-L460 HydrophobicContact CG1-CG 4.28Å
459G93.3Very high92.4Very high11 Ų1168.2 Ų68.211%0.11333%0.325CS..EExtended strand (participates in β ladder)trans-84.1127.7169.900000109.5F442 D443F442-G459 WeakPolarHBondContact CA-O 3.45Å; F442-G459 WeakPolarHBondContact CD2-O 3.39Å; D443-G459 PolarHBondContact N-O 3.15Å; D443-G459 PolarHBondContact O-N 3.36Å
460L92.1Very high92.6Very high7 Ų761.1 Ų61.14%0.03729%0.292CS..  trans-114.3154.7173.4-70.6165.9000109.2C407 L409 I431 F442 V458 N462 A466 A469C407-L460 WeakPolarHBondContact CB-O 3.42Å; C407-L460 WeakPolarHBondContact O-CA 3.48Å; C407-L460 WeakPolarHBondContact O-CB 3.35Å; C407-L460 PolarHBondContact O-N 3.42Å; L409-L460 HydrophobicContact CD1-CD1 3.75Å; L409-L460 HydrophobicContact CG-CD1 4.25Å; I431-L460 HydrophobicContact CD1-CD2 4.01Å; I431-L460 HydrophobicContact CG1-CD2 4.17Å; F442-L460 HydrophobicContact CD2-CD2 4.2Å; F442-L460 HydrophobicContact CE2-CD2 4.33Å; V458-L460 HydrophobicContact CG1-CD2 4.47Å; V458-L460 HydrophobicContact CG1-CG 4.28Å; L460-N462 PolarHBondContact O-N 2.81Å; L460-A466 HydrophobicContact CB-CB 4.41Å; L460-A466 VanDerWaalsContact CD1-CA 3.43Å; L460-A466 HydrophobicContact CD1-CB 3.87Å; L460-A469 HydrophobicContact CD1-CB 3.86Å
461P90.8Very high92.7Very high16 Ų1665.9 Ų65.910%0.10429%0.292CS..SBendtrans-67-35.7-17824.8-34.4000112.8I431 E438 M441I431-P461 HydrophobicContact CG1-CG 4.39Å; E438-P461 HydrophobicContact CB-CB 4.16Å; E438-P461 HydrophobicContact CB-CG 4.06Å; E438-P461 HydrophobicContact CG-CB 3.96Å; E438-P461 HydrophobicContact CG-CG 4.02Å; M441-P461 HydrophobicContact CB-CB 4.17Å; M441-P461 HydrophobicContact SD-CB 4.25Å
462N90.3Very high92.8Very high85 Ų8556 Ų5646%0.45526%0.257SS..  trans-123.4148.9-172.2-66.5-54.6000112.1L460 R464 S465 A466L460-N462 PolarHBondContact O-N 2.81Å; N462-R464 VanDerWaalsContact C-N 3.32Å; N462-S465 PolarHBondContact N-OG 3.45Å; N462-S465 PolarHBondContact O-N 2.92Å; N462-S465 PolarHBondContact O-OG 2.82Å; N462-A466 PolarHBondContact O-N 2.78Å; N462-A466 VanDerWaalsContact O-N 3.07Å
463E91.6Very high92.9Very high97 Ų9752.4 Ų52.445%0.45324%0.239SC..Hα-helixtrans-65.1-38.7172.4-172.5-177.2165.200111.2P405 C407 S465 A466 E467P405-E463 HydrophobicContact CB-CG 4.25Å; P405-E463 VanDerWaalsContact CB-OE1 3.23Å; P405-E463 WeakPolarHBondContact CB-OE1 3.49Å; P405-E463 WeakPolarHBondContact CG-OE1 3.37Å; C407-E463 PolarHBondContact SG-N 2.84Å; E463-S465 PolarHBondContact O-N 2.97Å; E463-A466 WeakPolarHBondContact O-CB 3.36Å; E463-A466 PolarHBondContact O-N 2.82Å; E463-E467 PolarHBondContact O-N 2.94Å
464R92.3Very high93Very high220 Ų22046.5 Ų46.583%0.8321%0.214SC*.Hα-helixtrans-63.2-39.8176.5-65.9-176-177.6178.90.9112.4N462 A466 E467 K468N462-R464 VanDerWaalsContact C-N 3.32Å; R464-A466 VanDerWaalsContact C-N 3.35Å; R464-E467 PolarHBondContact O-N 2.89Å; R464-K468 PolarHBondContact O-N 3.08Å
465S91.9Very high93Very high16 Ų1645.6 Ų45.611%0.11221%0.205CC..Hα-helixtrans-69.7-36.6176.662.80000110.9N462 E463 K468 A469N462-S465 PolarHBondContact N-OG 3.45Å; N462-S465 PolarHBondContact O-N 2.92Å; N462-S465 PolarHBondContact O-OG 2.82Å; E463-S465 PolarHBondContact O-N 2.97Å; S465-K468 PolarHBondContact O-N 3.17Å; S465-A469 WeakPolarHBondContact O-CB 3.47Å; S465-A469 PolarHBondContact O-N 3.29Å
466A93Very high93Very high0 Ų044.4 Ų44.40%020%0.199CC..Hα-helixtrans-63.1-40.617200000113.3T406 L409 L460 N462 E463 R464 L470 F487T406-A466 VanDerWaalsContact O-CB 3.24Å; T406-A466 WeakPolarHBondContact O-CB 3.38Å; L409-A466 HydrophobicContact CD2-CB 4.14Å; L409-A466 HydrophobicContact CG-CB 4.26Å; L460-A466 HydrophobicContact CB-CB 4.41Å; L460-A466 VanDerWaalsContact CD1-CA 3.43Å; L460-A466 HydrophobicContact CD1-CB 3.87Å; N462-A466 PolarHBondContact O-N 2.78Å; N462-A466 VanDerWaalsContact O-N 3.07Å; E463-A466 WeakPolarHBondContact O-CB 3.36Å; E463-A466 PolarHBondContact O-N 2.82Å; R464-A466 VanDerWaalsContact C-N 3.35Å; A466-L470 WeakPolarHBondContact O-CB 3.38Å; A466-L470 PolarHBondContact O-N 3.37Å; A466-F487 HydrophobicContact CB-CE1 4.2Å
467E93.9Very high92.9Very high88 Ų8846.8 Ų46.841%0.41121%0.214SC..Hα-helixtrans-65.6-44.4175.7-164.4-165.3155.500112E463 R464 L470 R471 F487E463-E467 PolarHBondContact O-N 2.94Å; R464-E467 PolarHBondContact O-N 2.89Å; E467-L470 PolarHBondContact O-N 2.79Å; E467-R471 WeakPolarHBondContact O-CB 3.2Å; E467-R471 PolarHBondContact O-N 2.82Å; E467-R471 IonicContact OE1-CZ 3.93Å; E467-R471 IonicContact OE1-NH2 3.87Å; E467-R471 PolarHBondContact OE1-NH2 3.45Å; E467-F487 HydrophobicContact CB-CZ 4.36Å; E467-F487 HydrophobicContact CG-CZ 4.4Å
468K93.1Very high92.8Very high98 Ų9845.8 Ų45.843%0.42621%0.21SC..Hα-helixtrans-60.1-49175.7-170.5180179.9-178.50110.6Y430 R464 S465 L470 R471 E472Y430-K468 HydrophobicContact CD1-CB 4.43Å; Y430-K468 HydrophobicContact CD1-CD 4.25Å; Y430-K468 HydrophobicContact CD1-CG 4.27Å; Y430-K468 HydrophobicContact CE1-CB 4.44Å; Y430-K468 HydrophobicContact CE1-CD 4.25Å; Y430-K468 HydrophobicContact CE1-CG 3.98Å; R464-K468 PolarHBondContact O-N 3.08Å; S465-K468 PolarHBondContact O-N 3.17Å; K468-L470 PolarHBondContact O-N 2.91Å; K468-R471 PolarHBondContact O-N 3.16Å; K468-E472 WeakPolarHBondContact CE-OE1 3.43Å; K468-E472 WeakPolarHBondContact CG-OE1 3.37Å; K468-E472 WeakPolarHBondContact O-CG 3.3Å; K468-E472 PolarHBondContact O-N 2.81Å; K468-E472 VanDerWaalsContact O-N 3.13Å
469A93.9Very high92.6Very high0 Ų049.9 Ų49.90%023%0.229CC..Hα-helixtrans-58.7-44.8177.500000112.1L409 Y427 Y430 L460 S465 R471 E472 T473L409-A469 HydrophobicContact CD1-CB 3.78Å; Y427-A469 HydrophobicContact CD1-CB 4.1Å; Y427-A469 HydrophobicContact CE1-CB 4.09Å; Y430-A469 HydrophobicContact CD1-CB 4.06Å; Y430-A469 HydrophobicContact CD2-CB 3.45Å; Y430-A469 VanDerWaalsContact CD2-CB 3.45Å; Y430-A469 HydrophobicContact CE1-CB 4.14Å; Y430-A469 HydrophobicContact CE2-CB 3.52Å; Y430-A469 HydrophobicContact CG-CB 3.73Å; Y430-A469 VanDerWaalsContact CZ-CA 3.49Å; L460-A469 HydrophobicContact CD1-CB 3.86Å; S465-A469 WeakPolarHBondContact O-CB 3.47Å; S465-A469 PolarHBondContact O-N 3.29Å; A469-R471 PolarHBondContact O-N 2.83Å; A469-E472 PolarHBondContact O-N 3.07Å; A469-T473 VanDerWaalsContact O-CB 3.29Å; A469-T473 WeakPolarHBondContact O-CB 3.5Å; A469-T473 WeakPolarHBondContact O-CG2 3.43Å; A469-T473 PolarHBondContact O-N 3.35Å; A469-T473 PolarHBondContact O-OG1 2.83Å
470L94.1Very high92.5Very high19 Ų1956.5 Ų56.510%0.09926%0.262CS..Hα-helixtrans-60.7-44.8177.3-176.6149.5000111.7A402 L409 A466 E467 K468 E472 N474 V485 F487A402-L470 HydrophobicContact CB-CD1 4.3Å; A402-L470 HydrophobicContact CB-CD2 4.39Å; L409-L470 HydrophobicContact CD2-CB 4.17Å; L409-L470 HydrophobicContact CD2-CD1 4.18Å; A466-L470 WeakPolarHBondContact O-CB 3.38Å; A466-L470 PolarHBondContact O-N 3.37Å; E467-L470 PolarHBondContact O-N 2.79Å; K468-L470 PolarHBondContact O-N 2.91Å; L470-E472 VanDerWaalsContact C-N 3.32Å; L470-E472 PolarHBondContact O-N 3.3Å; L470-N474 WeakPolarHBondContact O-CB 3.3Å; L470-N474 PolarHBondContact O-N 3.3Å; L470-N474 VanDerWaalsContact O-N 3.12Å; L470-V485 HydrophobicContact CB-CG1 4.29Å; L470-V485 HydrophobicContact CD1-CG1 4.49Å; L470-V485 HydrophobicContact CG-CG1 4.18Å; L470-F487 HydrophobicContact CD1-CD1 4.33Å; L470-F487 HydrophobicContact CD1-CD2 3.87Å; L470-F487 HydrophobicContact CD1-CE1 4.24Å; L470-F487 HydrophobicContact CD1-CE2 3.77Å; L470-F487 HydrophobicContact CD1-CG 4.15Å; L470-F487 HydrophobicContact CD1-CZ 3.97Å
471R92.4Very high92.5Very high159 Ų15960.1 Ų60.160%0.628%0.277SS*.Hα-helixtrans-64.4-37.2-177.1-167.3-178.4-58.4177.42.4112.9R385 E467 K468 A469R385-R471 PolarHBondContact NH1-O 3.31Å; E467-R471 WeakPolarHBondContact O-CB 3.2Å; E467-R471 PolarHBondContact O-N 2.82Å; E467-R471 IonicContact OE1-CZ 3.93Å; E467-R471 IonicContact OE1-NH2 3.87Å; E467-R471 PolarHBondContact OE1-NH2 3.45Å; K468-R471 PolarHBondContact O-N 3.16Å; A469-R471 PolarHBondContact O-N 2.83Å
472E91.8Very high92.7Very high39 Ų3959.8 Ų59.818%0.18228%0.275CS..Hα-helixtrans-87.1-41.4-175.9-67.5178.6-171.600112L381 R385 Y430 K468 A469 L470L381-E472 HydrophobicContact CD2-CB 3.51Å; L381-E472 WeakPolarHBondContact CD2-O 3.5Å; R385-E472 WeakPolarHBondContact CD-O 3.48Å; Y430-E472 VanDerWaalsContact CE1-OE2 3.23Å; Y430-E472 WeakPolarHBondContact CE1-OE2 3.41Å; Y430-E472 VanDerWaalsContact OH-CB 3.28Å; Y430-E472 WeakPolarHBondContact OH-CB 2.98Å; Y430-E472 PolarHBondContact OH-OE2 3.46Å; K468-E472 WeakPolarHBondContact CE-OE1 3.43Å; K468-E472 WeakPolarHBondContact CG-OE1 3.37Å; K468-E472 WeakPolarHBondContact O-CG 3.3Å; K468-E472 PolarHBondContact O-N 2.81Å; K468-E472 VanDerWaalsContact O-N 3.13Å; A469-E472 PolarHBondContact O-N 3.07Å; L470-E472 VanDerWaalsContact C-N 3.32Å; L470-E472 PolarHBondContact O-N 3.3Å
473T93Very high92.9Very high0 Ų055.8 Ų55.80%025%0.254CS..Hα-helixtrans-85.2-16.6-175.962.30000114.5L381 I426 Y427 Y430 A469 G475 F476 V485L381-T473 HydrophobicContact CD2-CG2 3.93Å; I426-T473 HydrophobicContact CG2-CG2 3.72Å; Y427-T473 HydrophobicContact CD1-CG2 4.44Å; Y427-T473 HydrophobicContact CE1-CG2 3.79Å; Y427-T473 PolarHBondContact OH-OG1 3.19Å; Y427-T473 VanDerWaalsContact OH-OG1 3.06Å; Y430-T473 HydrophobicContact CE2-CG2 4.12Å; A469-T473 VanDerWaalsContact O-CB 3.29Å; A469-T473 WeakPolarHBondContact O-CB 3.5Å; A469-T473 WeakPolarHBondContact O-CG2 3.43Å; A469-T473 PolarHBondContact O-N 3.35Å; A469-T473 PolarHBondContact O-OG1 2.83Å; T473-G475 PolarHBondContact O-N 3.29Å; T473-F476 VanDerWaalsContact O-CB 3.23Å; T473-F476 WeakPolarHBondContact O-CB 3.26Å; T473-F476 PolarHBondContact O-N 3.14Å; T473-F476 VanDerWaalsContact O-N 3.09Å; T473-V485 WeakPolarHBondContact OG1-CG2 3.46Å
474N94.4Very high93.1Very high23 Ų2351.3 Ų51.312%0.12323%0.233CC..THydrogen-bonded Turntrans-68.2121.1179.6-171.941.6000111.5F397 Y400 L470 V485F397-N474 WeakPolarHBondContact CE1-OD1 3.4Å; Y400-N474 PolarHBondContact OH-ND2 3.47Å; L470-N474 WeakPolarHBondContact O-CB 3.3Å; L470-N474 PolarHBondContact O-N 3.3Å; L470-N474 VanDerWaalsContact O-N 3.12Å; N474-V485 HydrophobicContact CB-CB 4.32Å; N474-V485 PolarHBondContact OD1-N 2.94Å
475G92Very high93.2Very high0 Ų040.8 Ų40.80%019%0.194CC..THydrogen-bonded Turntrans82.88.7-174.600000114.5L386 T473 L483L386-G475 PolarHBondContact N-O 3.4Å; T473-G475 PolarHBondContact O-N 3.29Å; G475-L483 WeakPolarHBondContact CA-O 3.43Å; G475-L483 PolarHBondContact N-O 3.02Å
476F94.2Very high93.4Very high13 Ų1341.5 Ų41.56%0.05720%0.195CC..BIsolated β-bridgetrans-68127.9171.3-179.5-102.9000110.8I376 L381 I426 T473 L478 P482 L483I376-F476 HydrophobicContact CD1-CE2 4.4Å; I376-F476 HydrophobicContact CD1-CZ 3.95Å; L381-F476 HydrophobicContact CG-CD2 4.26Å; L381-F476 HydrophobicContact CG-CE2 4.48Å; I426-F476 HydrophobicContact CD1-CD1 4.24Å; I426-F476 HydrophobicContact CD1-CE1 3.89Å; T473-F476 VanDerWaalsContact O-CB 3.23Å; T473-F476 WeakPolarHBondContact O-CB 3.26Å; T473-F476 PolarHBondContact O-N 3.14Å; T473-F476 VanDerWaalsContact O-N 3.09Å; F476-L478 HydrophobicContact CD1-CB 4.16Å; F476-L478 HydrophobicContact CE1-CB 4.11Å; F476-L478 HydrophobicContact CE1-CD1 4.25Å; F476-L478 PolarHBondContact O-N 3.33Å; F476-P482 CarbonylContact O-C 3.59Å; F476-P482 WeakPolarHBondContact O-CA 3.39Å; F476-L483 HydrophobicContact CD1-CD1 4.07Å; F476-L483 WeakPolarHBondContact O-CG 3.47Å; F476-L483 PolarHBondContact O-N 3.17Å
477V93.8Very high93.5Very high50 Ų5042.5 Ų42.530%0.30320%0.199SC..EExtended strand (participates in β ladder)trans-85.8101.1-179.5-175.70000109.4G384 L386 P482G384-V477 PolarHBondContact O-N 3.12Å; L386-V477 HydrophobicContact CD1-CG2 4.15Å; L386-V477 HydrophobicContact CD2-CG2 3.87Å; L386-V477 HydrophobicContact CG-CG2 3.7Å; V477-P482 HydrophobicContact CG2-CB 4.47Å
478L92.4Very high93.4Very high21 Ų2138.6 Ų38.611%0.1118%0.182CC..EExtended strand (participates in β ladder)trans-100.8115.4172.6-176.462.1000108.6V418 L423 I426 F476 D480 K481 L483V418-L478 HydrophobicContact CB-CD2 4.4Å; V418-L478 HydrophobicContact CG1-CD2 3.86Å; V418-L478 HydrophobicContact CG2-CD2 3.55Å; V418-L478 HydrophobicContact CG2-CG 3.81Å; L423-L478 HydrophobicContact CD2-CD2 4.37Å; I426-L478 HydrophobicContact CD1-CD1 4.22Å; I426-L478 HydrophobicContact CD1-CD2 3.94Å; F476-L478 HydrophobicContact CD1-CB 4.16Å; F476-L478 HydrophobicContact CE1-CB 4.11Å; F476-L478 HydrophobicContact CE1-CD1 4.25Å; F476-L478 PolarHBondContact O-N 3.33Å; L478-D480 PolarHBondContact O-N 2.83Å; L478-K481 PolarHBondContact N-O 3.25Å; L478-K481 PolarHBondContact O-N 3.26Å; L478-L483 HydrophobicContact CB-CD1 4.12Å; L478-L483 HydrophobicContact CB-CD2 4.24Å; L478-L483 HydrophobicContact CB-CG 4.08Å; L478-L483 HydrophobicContact CD2-CD1 4.29Å; L478-L483 HydrophobicContact CD2-CD2 4.46Å
479H90.5Very high93Very high85 Ų8545.1 Ų45.139%0.39420%0.204SC..THydrogen-bonded Turntrans52.856.4178.2-75.4-57.6000113.1A415 Q417 K481A415-H479 HydrophobicContact CB-CB 3.81Å; Q417-H479 HydrophobicContact CG-CB 3.94Å; Q417-H479 PolarHBondContact NE2-ND1 3.35Å; H479-K481 PolarHBondContact O-N 3.32Å; H479-K481 VanDerWaalsContact O-N 3.1Å
480D90.3Very high91.6Very high151 Ų15150 Ų5081%0.80724%0.239SC*.THydrogen-bonded Turntrans63.59.2-179.7-53.1-43.4000115.7L478L478-D480 PolarHBondContact O-N 2.83Å
481K93.4Very high89.8Confident82 Ų8252.4 Ų52.436%0.35726%0.261SS..EExtended strand (participates in β ladder)trans-122.8124.5178.3-67.8-176.3122.3-155.90111.3A415 L478 H479 L483A415-K481 HydrophobicContact CB-CB 4.4Å; A415-K481 HydrophobicContact CB-CD 3.67Å; A415-K481 HydrophobicContact CB-CG 4.23Å; L478-K481 PolarHBondContact N-O 3.25Å; L478-K481 PolarHBondContact O-N 3.26Å; H479-K481 PolarHBondContact O-N 3.32Å; H479-K481 VanDerWaalsContact O-N 3.1Å; K481-L483 PolarHBondContact O-N 2.97Å
482P94.2Very high88Confident10 Ų1055.9 Ų55.97%0.06527%0.274CS..EExtended strand (participates in β ladder)trans-71.7125.3174.328.5-32.7000110.1L386 M394 F397 N413 F476 V477L386-P482 HydrophobicContact CD1-CB 3.68Å; L386-P482 HydrophobicContact CD1-CG 4.17Å; M394-P482 HydrophobicContact CE-CG 4.15Å; F397-P482 HydrophobicContact CE2-CB 4.26Å; F397-P482 HydrophobicContact CE2-CG 4.4Å; N413-P482 PolarHBondContact ND2-O 3.48Å; F476-P482 CarbonylContact O-C 3.59Å; F476-P482 WeakPolarHBondContact O-CA 3.39Å; V477-P482 HydrophobicContact CG2-CB 4.47Å
483L94.8Very high86.4Confident0 Ų059.7 Ų59.70%030%0.302CS..  trans-68.9138.3173.9-62.8-178.4000110.1V411 I414 I426 G475 F476 L478 K481 V485V411-L483 HydrophobicContact CG1-CB 4.3Å; V411-L483 HydrophobicContact CG1-CD1 4.49Å; V411-L483 HydrophobicContact CG1-CD2 4.08Å; I414-L483 HydrophobicContact CB-CD2 4.41Å; I414-L483 HydrophobicContact CG1-CD2 3.86Å; I426-L483 HydrophobicContact CD1-CD1 4.46Å; G475-L483 WeakPolarHBondContact CA-O 3.43Å; G475-L483 PolarHBondContact N-O 3.02Å; F476-L483 HydrophobicContact CD1-CD1 4.07Å; F476-L483 WeakPolarHBondContact O-CG 3.47Å; F476-L483 PolarHBondContact O-N 3.17Å; L478-L483 HydrophobicContact CB-CD1 4.12Å; L478-L483 HydrophobicContact CB-CD2 4.24Å; L478-L483 HydrophobicContact CB-CG 4.08Å; L478-L483 HydrophobicContact CD2-CD1 4.29Å; L478-L483 HydrophobicContact CD2-CD2 4.46Å; K481-L483 PolarHBondContact O-N 2.97Å; L483-V485 HydrophobicContact CB-CG2 4.39Å
484V94.9Very high84.4Confident3 Ų369.1 Ų69.12%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-114.3110.3175.6-177.30000108.3V396 F397 Y400 K412 N413V396-V484 HydrophobicContact CB-CG2 4.31Å; V396-V484 HydrophobicContact CG1-CG2 3.61Å; F397-V484 HydrophobicContact CD1-CG1 4.26Å; F397-V484 HydrophobicContact CD1-CG2 4.26Å; F397-V484 HydrophobicContact CE1-CB 4.21Å; F397-V484 HydrophobicContact CE1-CG1 4.01Å; F397-V484 HydrophobicContact CE1-CG2 3.72Å; F397-V484 HydrophobicContact CE2-CG2 4.07Å; F397-V484 HydrophobicContact CZ-CB 4.47Å; F397-V484 HydrophobicContact CZ-CG2 3.62Å; Y400-V484 HydrophobicContact CD2-CG1 3.45Å; Y400-V484 VanDerWaalsContact CD2-CG1 3.45Å; Y400-V484 HydrophobicContact CE2-CG1 3.76Å; K412-V484 HydrophobicContact CB-CB 4.02Å; K412-V484 PolarHBondContact N-O 3.02Å; K412-V484 PolarHBondContact O-N 3.32Å; N413-V484 HydrophobicContact CB-CG2 4.18Å
485V95.3Very high82Confident0 Ų072.2 Ų72.20%037%0.372CS..EExtended strand (participates in β ladder)trans-110.3124.2-169-175.20000109.9Y400 L409 V411 Y427 L470 T473 N474 L483Y400-V485 WeakPolarHBondContact CE2-O 3.4Å; Y400-V485 VanDerWaalsContact CZ-O 3.28Å; Y400-V485 PolarHBondContact OH-O 3.42Å; L409-V485 HydrophobicContact CB-CG1 4.34Å; L409-V485 HydrophobicContact CD1-CG1 4.12Å; L409-V485 HydrophobicContact CD2-CG1 4.37Å; V411-V485 HydrophobicContact CG1-CG2 4.28Å; V411-V485 HydrophobicContact CG2-CG1 4.43Å; V411-V485 HydrophobicContact CG2-CG2 4.36Å; Y427-V485 WeakPolarHBondContact OH-CG2 3.37Å; L470-V485 HydrophobicContact CB-CG1 4.29Å; L470-V485 HydrophobicContact CD1-CG1 4.49Å; L470-V485 HydrophobicContact CG-CG1 4.18Å; T473-V485 WeakPolarHBondContact OG1-CG2 3.46Å; N474-V485 HydrophobicContact CB-CB 4.32Å; N474-V485 PolarHBondContact OD1-N 2.94Å; L483-V485 HydrophobicContact CB-CG2 4.39Å
486Q95Very high79.7Confident30 Ų3079.1 Ų79.114%0.1441%0.409CS..EExtended strand (participates in β ladder)trans-128.8158.2-179.3-61.6179.7-10.400109.2Y400 E401 L409 Y410Y400-Q486 HydrophobicContact CD2-CG 4.11Å; Y400-Q486 HydrophobicContact CE2-CG 3.63Å; E401-Q486 WeakPolarHBondContact O-CG 3.34Å; L409-Q486 CarbonylContact C-O 3.5Å; L409-Q486 WeakPolarHBondContact CA-O 3.27Å; Y410-Q486 PolarHBondContact N-O 2.85Å; Y410-Q486 PolarHBondContact O-N 3.34Å
487F95.6Very high77.3Confident21 Ų2184.6 Ų84.69%0.09245%0.449CS..EExtended strand (participates in β ladder)trans-68136.6164.3-67.1-66.5000110A402 E404 P405 T406 L409 A466 E467 L470A402-F487 HydrophobicContact CB-CD2 4.42Å; A402-F487 WeakPolarHBondContact O-CB 3.47Å; A402-F487 VanDerWaalsContact O-CD2 3.25Å; A402-F487 WeakPolarHBondContact O-CD2 3.35Å; A402-F487 PolarHBondContact O-N 3.33Å; E404-F487 WeakPolarHBondContact O-CB 3.42Å; E404-F487 VanDerWaalsContact O-CG 3.24Å; E404-F487 WeakPolarHBondContact O-CG 3.48Å; P405-F487 HydrophobicContact CB-CD2 4.49Å; P405-F487 HydrophobicContact CB-CE1 4.35Å; P405-F487 HydrophobicContact CB-CE2 4.03Å; P405-F487 HydrophobicContact CB-CZ 3.96Å; T406-F487 WeakPolarHBondContact O-CD1 3.33Å; L409-F487 HydrophobicContact CD2-CD1 3.72Å; L409-F487 HydrophobicContact CD2-CE1 3.95Å; A466-F487 HydrophobicContact CB-CE1 4.2Å; E467-F487 HydrophobicContact CB-CZ 4.36Å; E467-F487 HydrophobicContact CG-CZ 4.4Å; L470-F487 HydrophobicContact CD1-CD1 4.33Å; L470-F487 HydrophobicContact CD1-CD2 3.87Å; L470-F487 HydrophobicContact CD1-CE1 4.24Å; L470-F487 HydrophobicContact CD1-CE2 3.77Å; L470-F487 HydrophobicContact CD1-CG 4.15Å; L470-F487 HydrophobicContact CD1-CZ 3.97Å
488A91.6Very high74.9Confident7 Ų787.5 Ų87.56%0.05847%0.467CS..PPolyproline II helixtrans-72.1137.9178.500000109.7T406 R408 F457 S490T406-A488 PolarHBondContact OG1-O 3.02Å; R408-A488 HydrophobicContact CB-CB 3.98Å; R408-A488 HydrophobicContact CG-CB 3.89Å; R408-A488 VanDerWaalsContact O-CB 3.27Å; R408-A488 WeakPolarHBondContact O-CB 3.19Å; R408-A488 PolarHBondContact O-N 3.36Å; F457-A488 HydrophobicContact CD1-CB 4.16Å; F457-A488 HydrophobicContact CE1-CB 4.28Å; A488-S490 PolarHBondContact O-N 2.97Å
489R85.6Confident72.3Confident234 Ų23494.6 Ų94.688%0.88351%0.505SS*.PPolyproline II helixtrans-65.6121.1171.9-64.8-175.2178.4-156.3-3.7108A491R489-A491 PolarHBondContact O-N 3.31Å
490S64.8Low70.4Confident103 Ų10393.9 Ų93.972%0.7252%0.52SS*.  trans-45.698.9-171.358.10000112.6A488A488-S490 PolarHBondContact O-N 2.97Å
491A56.4Low68Low69 Ų6996.5 Ų96.557%0.5752%0.524SS*.PPolyproline II helixtrans-85.3118.8157.900000105.5R489R489-A491 PolarHBondContact O-N 3.31Å
492R53.7Low65.7Low232 Ų232102.9 Ų102.988%0.87555%0.552SS**PPolyproline II helixtrans-52.4134.7175.4-67.1-177.4-174.9-123.6-1108.3K494R492-K494 PolarHBondContact O-N 3.09Å
493P57.9Low62.9Low120 Ų120105.3 Ų105.378%0.77958%0.579SS**PPolyproline II helixtrans-55.3132175.122.1-30.5000108.2A495P493-A495 PolarHBondContact O-N 3.18Å; P493-A495 VanDerWaalsContact O-N 3.08Å
494K52Low60.6Low198 Ų198111.6 Ų111.686%0.86162%0.62SS**  trans-61.6112.8162.6-83.2176.9174.5177.90104.3R492 D496R492-K494 PolarHBondContact O-N 3.09Å; K494-D496 PolarHBondContact O-N 3.09Å
495A44.3Very low57.8Low88 Ų88121.5 Ų121.573%0.72766%0.663SS**  trans-57.5124.9174.900000107.5P493 S497P493-A495 PolarHBondContact O-N 3.18Å; P493-A495 VanDerWaalsContact O-N 3.08Å; A495-S497 PolarHBondContact O-N 3.08Å
496D42.3Very low55.4Low144 Ų144130.7 Ų130.777%0.7771%0.705SS**  trans-58.6121.1175-66.7-52.3000108.7K494 T498K494-D496 PolarHBondContact O-N 3.09Å; D496-T498 PolarHBondContact O-N 3.1Å
497S44Very low52.9Low128 Ų128144.3 Ų144.390%0.89576%0.756SS**  trans-74.867.9174.6-61.30000109.3A495A495-S497 PolarHBondContact O-N 3.08Å
498T43.7Very low50.7Low111 Ų111150.5 Ų150.568%0.68179%0.789SS**  trans-133.489.5172.148.90000108.4D496D496-T498 PolarHBondContact O-N 3.1Å
499D38.9Very low48.6Very low171 Ų171158.1 Ų158.191%0.91483%0.827SS**  trans-160.8129135.3-115.9-33.6000112.7
500G49.5Very low46.5Very low69 Ų69153.8 Ų153.871%0.71182%0.824SS**  trans-70.9139-178.600000112.8
501K40.8Very low45.4Very low206 Ų206156.8 Ų156.890%0.89683%0.83SS**  trans-134.892.9151.6-89.8-177.61771730109.3G503K501-G503 PolarHBondContact O-N 3.32Å; K501-G503 VanDerWaalsContact O-N 3.17Å
502K43.8Very low44.7Very low217 Ų217162.3 Ų162.394%0.94385%0.847SS**  trans-59.6105.5146.2-78.5-179.1176.8177.50106.6
503G35.3Very low44.2Very low60 Ų60157.7 Ų157.762%0.61985%0.845SS**  trans-87.2139.7159.400000109.1K501K501-G503 PolarHBondContact O-N 3.32Å; K501-G503 VanDerWaalsContact O-N 3.17Å
504P46.9Very low43.2Very low133 Ų133160.4 Ų160.486%0.86485%0.849SS**  trans-71.8131.2177.831-32.1000109.5Q506P504-Q506 PolarHBondContact O-N 3.47Å
505K37.5Very low42.5Very low210 Ų210157.5 Ų157.591%0.91385%0.849SS**  trans-69.3115165.2-83.1179.8173.9177.30108
506Q44.1Very low42.3Very low193 Ų193163.3 Ų163.390%0.90286%0.859SS**  trans-76.7147.9160.7-115173.8-12.200109.3P504P504-Q506 PolarHBondContact O-N 3.47Å
507R41.4Very low42.4Very low317 Ų317165 Ų165100%1.19687%0.867SS**  trans-60.10-162-67.9165.1841777.1115.4

Retrieved 507 of 507 residues in 772.2 ms (Link to these results)

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