A0A093IZ18_STRCA Loading...

ornithine decarboxylase

Catalyzes the first and rate-limiting step of polyamine biosynthesis that converts ornithine into putrescine, which is the precursor for the polyamines, spermidine and spermine. Polyamines are essential for cell proliferation and are implicated in cellular processes, ranging from DNA replication to apoptosis.

AlphaFold DB , UniProt , Accession A0A093IZ18, Species STRCA (Struthio camelus australis), Gene n/a, Length 460 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
1M35.1Very low49.5Very low251 Ų251125 Ų125100%1.23665%0.647SS**  096.70-76.1177.7174.700109.3
2S32.6Very low53.1Low61 Ų61121.8 Ų121.843%0.42764%0.637SS.*  trans-142.259.6166.562.70000109.3F4S2-F4 VanDerWaalsContact C-N 3.28Å; S2-F4 PolarHBondContact O-N 2.95Å
3S34.3Very low56.3Low112 Ų112114.5 Ų114.578%0.78360%0.598SS**  trans-73.986.9169.563.10000108.5S5S3-S5 PolarHBondContact O-N 3.41Å
4F36.4Very low58.8Low171 Ų171107.1 Ų107.175%0.7556%0.559SS**  trans-70.984159.9-92.3-91.7000107.2S2 N6S2-F4 VanDerWaalsContact C-N 3.28Å; S2-F4 PolarHBondContact O-N 2.95Å; F4-N6 PolarHBondContact O-N 2.9Å; F4-N6 VanDerWaalsContact O-N 3.13Å
5S35.3Very low60.7Low95 Ų95106.3 Ų106.366%0.66456%0.556SS**  trans-78.591.8173.663.40000108.9S3S3-S5 PolarHBondContact O-N 3.41Å
6N43.8Very low62.3Low118 Ų118112 Ų11263%0.63158%0.579SS**  trans-72.4124.4142.1-103.8-4.2000105.1F4 E8 F9F4-N6 PolarHBondContact O-N 2.9Å; F4-N6 VanDerWaalsContact O-N 3.13Å; N6-E8 PolarHBondContact O-N 3.33Å; N6-F9 PolarHBondContact O-N 3.28Å; N6-F9 VanDerWaalsContact O-N 3.11Å
7E50.3Low63.7Low202 Ų202109.9 Ų109.994%0.94459%0.591SS**THydrogen-bonded Turntrans-53.6-5.3-179.6-65.5-176.5158.500114.2
8E55.2Low65.2Low111 Ų111109.3 Ų109.352%0.51958%0.582SS.*THydrogen-bonded Turntrans-86.4-22.7178.5-66.5-169.6155.900115.5N6 K78N6-E8 PolarHBondContact O-N 3.33Å; E8-K78 WeakPolarHBondContact O-CD 3.38Å; E8-K78 PolarHBondContact O-NZ 3.47Å
9F57.7Low66.6Low32 Ų32105.8 Ų105.814%0.1457%0.566CS.*  trans-146119.6-175-80.8-91000112.4N6 F11 K78 W414N6-F9 PolarHBondContact O-N 3.28Å; N6-F9 VanDerWaalsContact O-N 3.11Å; F9-F11 HydrophobicContact CB-CD1 3.72Å; F9-F11 HydrophobicContact CB-CE1 3.57Å; F9-F11 HydrophobicContact CD1-CD1 4.22Å; F9-F11 HydrophobicContact CD1-CE1 4.21Å; F9-F11 HydrophobicContact CG-CD1 4.37Å; F9-F11 HydrophobicContact CG-CE1 4.11Å; F9-K78 HydrophobicContact CE1-CB 3.56Å; F9-K78 HydrophobicContact CE1-CD 4.34Å; F9-K78 HydrophobicContact CE2-CB 4.46Å; F9-K78 HydrophobicContact CZ-CB 3.55Å; F9-K78 HydrophobicContact CZ-CD 4.3Å; F9-K78 HydrophobicContact CZ-CG 4.45Å; F9-W414 HydrophobicContact CD2-CH2 4.42Å
10E76.1Confident67.9Low187 Ų187101.1 Ų101.187%0.87454%0.542SS*.  trans-102.789.8175.8-163.8175.1-168.900109.3
11F88.3Confident69Low35 Ų35101.7 Ų101.715%0.15454%0.54CS..  trans-142.8163.2172.167.1-94.6000110.2F9 F13 L45 Y407 M409 W414F9-F11 HydrophobicContact CB-CD1 3.72Å; F9-F11 HydrophobicContact CB-CE1 3.57Å; F9-F11 HydrophobicContact CD1-CD1 4.22Å; F9-F11 HydrophobicContact CD1-CE1 4.21Å; F9-F11 HydrophobicContact CG-CD1 4.37Å; F9-F11 HydrophobicContact CG-CE1 4.11Å; F11-F13 AromaticContact CE2-CD1 3.95Å; F11-F13 HydrophobicContact CE2-CD1 3.95Å; F11-F13 HydrophobicContact CE2-CD2 4.35Å; F11-F13 AromaticContact CE2-CE1 3.65Å; F11-F13 HydrophobicContact CE2-CE1 3.65Å; F11-F13 HydrophobicContact CE2-CE2 4.07Å; F11-F13 HydrophobicContact CE2-CG 4.3Å; F11-F13 AromaticContact CE2-CZ 3.71Å; F11-F13 HydrophobicContact CE2-CZ 3.71Å; F11-F13 HydrophobicContact CZ-CE1 4.1Å; F11-F13 HydrophobicContact CZ-CE2 4.38Å; F11-F13 AromaticContact CZ-CZ 3.85Å; F11-F13 HydrophobicContact CZ-CZ 3.85Å; F11-L45 HydrophobicContact CB-CD1 4.19Å; F11-L45 HydrophobicContact CD1-CD1 4.21Å; F11-L45 HydrophobicContact CG-CD1 4.27Å; F11-Y407 CarbonylContact C-O 3.57Å; F11-Y407 WeakPolarHBondContact CA-O 3.24Å; F11-Y407 WeakPolarHBondContact CB-O 3.24Å; F11-M409 HydrophobicContact CD2-CB 3.77Å; F11-M409 HydrophobicContact CE2-CB 3.84Å; F11-W414 AromaticContact CE1-CE3 3.8Å; F11-W414 HydrophobicContact CE1-CE3 3.8Å; F11-W414 HydrophobicContact CE1-CH2 4.2Å; F11-W414 AromaticContact CE1-CZ3 3.45Å; F11-W414 HydrophobicContact CE1-CZ3 3.45Å; F11-W414 VanDerWaalsContact CE1-CZ3 3.45Å; F11-W414 HydrophobicContact CE2-CE3 4.33Å; F11-W414 AromaticContact CZ-CD2 3.98Å; F11-W414 HydrophobicContact CZ-CD2 3.98Å; F11-W414 AromaticContact CZ-CE3 3.32Å; F11-W414 HydrophobicContact CZ-CE3 3.32Å; F11-W414 HydrophobicContact CZ-CH2 4.2Å; F11-W414 AromaticContact CZ-CZ3 3.46Å; F11-W414 HydrophobicContact CZ-CZ3 3.46Å; F11-W414 VanDerWaalsContact CZ-CZ3 3.46Å
12T92.7Very high71.8Confident86 Ų8692.6 Ų92.653%0.52850%0.496SS..EExtended strand (participates in β ladder)trans-102.4133.1177.1-56.70000110.5Y407 V408 M409T12-Y407 PolarHBondContact N-O 2.59Å; T12-V408 VanDerWaalsContact O-CA 3.28Å; T12-V408 WeakPolarHBondContact O-CA 3.19Å; T12-M409 PolarHBondContact O-N 3.17Å
13F94.4Very high74.7Confident28 Ų2890.7 Ų90.712%0.12348%0.481CS..EExtended strand (participates in β ladder)trans-70.5133.2171.1-77.1-70.3000110.7F11 M409 R411 W414F11-F13 AromaticContact CE2-CD1 3.95Å; F11-F13 HydrophobicContact CE2-CD1 3.95Å; F11-F13 HydrophobicContact CE2-CD2 4.35Å; F11-F13 AromaticContact CE2-CE1 3.65Å; F11-F13 HydrophobicContact CE2-CE1 3.65Å; F11-F13 HydrophobicContact CE2-CE2 4.07Å; F11-F13 HydrophobicContact CE2-CG 4.3Å; F11-F13 AromaticContact CE2-CZ 3.71Å; F11-F13 HydrophobicContact CE2-CZ 3.71Å; F11-F13 HydrophobicContact CZ-CE1 4.1Å; F11-F13 HydrophobicContact CZ-CE2 4.38Å; F11-F13 AromaticContact CZ-CZ 3.85Å; F11-F13 HydrophobicContact CZ-CZ 3.85Å; F13-M409 VanDerWaalsContact CA-O 3.3Å; F13-M409 WeakPolarHBondContact CA-O 3.38Å; F13-R411 HydrophobicContact CB-CG 4.48Å; F13-R411 HydrophobicContact CD1-CG 3.88Å; F13-R411 HydrophobicContact CE1-CG 4.47Å; F13-R411 HydrophobicContact CG-CG 4.34Å; F13-W414 HydrophobicContact CE1-CB 3.65Å; F13-W414 HydrophobicContact CE1-CD2 4.25Å; F13-W414 AromaticContact CE1-CG 3.68Å; F13-W414 HydrophobicContact CE1-CG 3.68Å; F13-W414 HydrophobicContact CZ-CB 4.37Å; F13-W414 AromaticContact CZ-CD1 3.97Å; F13-W414 HydrophobicContact CZ-CD2 4.13Å; F13-W414 AromaticContact CZ-CG 3.89Å; F13-W414 HydrophobicContact CZ-CG 3.89Å
14L91.1Very high77.6Confident10 Ų1085.6 Ų85.65%0.05245%0.445CS..EExtended strand (participates in β ladder)trans-71.9132.6167-60.8174.1000109.3I23 V408 M409L14-I23 HydrophobicContact CD2-CD1 3.97Å; L14-I23 HydrophobicContact CD2-CG1 3.31Å; L14-V408 HydrophobicContact CD1-CG2 4.43Å; L14-V408 HydrophobicContact CD2-CB 3.88Å; L14-V408 HydrophobicContact CD2-CG1 4.25Å; L14-V408 HydrophobicContact CD2-CG2 4.18Å; L14-V408 HydrophobicContact CG-CB 4.16Å; L14-V408 HydrophobicContact CG-CG2 4.47Å; L14-M409 PolarHBondContact N-O 3.25Å
15D87.1Confident80.3Confident96 Ų9679.2 Ų79.251%0.51342%0.419SS..PPolyproline II helixtrans-68.4159.3168.8-72.2-33000110.4G17 F18D15-G17 PolarHBondContact O-N 3.15Å; D15-F18 HydrophobicContact CB-CD2 3.87Å; D15-F18 HydrophobicContact CB-CE2 4.42Å; D15-F18 HydrophobicContact CB-CG 4.36Å; D15-F18 WeakPolarHBondContact O-CB 3.41Å; D15-F18 PolarHBondContact O-N 3.31Å
16E86.8Confident83.1Confident197 Ų19778.8 Ų78.892%0.92141%0.406SS*.THydrogen-bonded Turntrans-61.5128.9-177.5-167.7173.5-176.900110.9F18E16-F18 VanDerWaalsContact C-N 3.28Å; E16-F18 PolarHBondContact O-N 3.09Å
17G86.1Confident85.4Confident77 Ų7775.1 Ų75.179%0.79439%0.385SS*.THydrogen-bonded Turntrans82.4-7.8-175.200000115.4D15D15-G17 PolarHBondContact O-N 3.15Å
18F89.5Confident87.5Confident98 Ų9865.9 Ų65.943%0.4334%0.342SS..  trans-90.3144.5174.7-75.3-109.7000111.5D15 E16 D22D15-F18 HydrophobicContact CB-CD2 3.87Å; D15-F18 HydrophobicContact CB-CE2 4.42Å; D15-F18 HydrophobicContact CB-CG 4.36Å; D15-F18 WeakPolarHBondContact O-CB 3.41Å; D15-F18 PolarHBondContact O-N 3.31Å; E16-F18 VanDerWaalsContact C-N 3.28Å; E16-F18 PolarHBondContact O-N 3.09Å; F18-D22 HydrophobicContact CD1-CB 3.82Å
19T92.8Very high89.3Confident43 Ų4365.2 Ų65.226%0.26434%0.342SS..  trans-114.7168.8179.668.50000111.2K21 D22 I23T19-K21 PolarHBondContact O-N 3.45Å; T19-K21 PolarHBondContact OG1-N 3.27Å; T19-D22 WeakPolarHBondContact CB-OD2 3.24Å; T19-D22 PolarHBondContact N-OD2 3.25Å; T19-D22 PolarHBondContact O-N 2.9Å; T19-D22 VanDerWaalsContact O-N 3.09Å; T19-D22 PolarHBondContact OG1-N 2.78Å; T19-D22 PolarHBondContact OG1-OD2 2.95Å; T19-I23 PolarHBondContact O-N 3.39Å
20A92.5Very high90.8Very high12 Ų1269.2 Ų69.210%0.09936%0.361CS..Hα-helixtrans-58.4-30.7172.400000112.5I23 L24 V42 D44 V408A20-I23 PolarHBondContact O-N 3.28Å; A20-L24 PolarHBondContact O-N 3.35Å; A20-V42 HydrophobicContact CB-CG1 4.11Å; A20-D44 HydrophobicContact CB-CB 3.87Å; A20-V408 HydrophobicContact CB-CG2 3.86Å
21K91.2Very high91.4Very high113 Ų11362.2 Ų62.249%0.49133%0.331SS..Hα-helixtrans-66.5-42.1174.2-176.6176.8-179.5168.80112.1T19 I23 L24 D25T19-K21 PolarHBondContact O-N 3.45Å; T19-K21 PolarHBondContact OG1-N 3.27Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.13Å; K21-L24 WeakPolarHBondContact O-CA 3.44Å; K21-L24 WeakPolarHBondContact O-CB 3.26Å; K21-L24 PolarHBondContact O-N 3.49Å; K21-L24 VanDerWaalsContact O-N 3.08Å; K21-D25 PolarHBondContact O-N 2.94Å
22D93.9Very high91.3Very high61 Ų6164.2 Ų64.233%0.32635%0.349SS..Hα-helixtrans-63.6-35.6177.8-57.3-56.1000111.3F18 T19 D25 Q26F18-D22 HydrophobicContact CD1-CB 3.82Å; T19-D22 WeakPolarHBondContact CB-OD2 3.24Å; T19-D22 PolarHBondContact N-OD2 3.25Å; T19-D22 PolarHBondContact O-N 2.9Å; T19-D22 VanDerWaalsContact O-N 3.09Å; T19-D22 PolarHBondContact OG1-N 2.78Å; T19-D22 PolarHBondContact OG1-OD2 2.95Å; D22-D25 PolarHBondContact O-N 3.01Å; D22-Q26 VanDerWaalsContact O-CB 3.31Å; D22-Q26 WeakPolarHBondContact O-CB 3.47Å; D22-Q26 PolarHBondContact O-N 3.04Å
23I93.8Very high90.8Very high20 Ų2065.6 Ų65.610%0.10336%0.363CS..Hα-helixtrans-67.1-38.2173.1-59.6-56.2000111.8L14 T19 A20 K21 Q26 K27 V408L14-I23 HydrophobicContact CD2-CD1 3.97Å; L14-I23 HydrophobicContact CD2-CG1 3.31Å; T19-I23 PolarHBondContact O-N 3.39Å; A20-I23 PolarHBondContact O-N 3.28Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.13Å; I23-Q26 PolarHBondContact O-N 3.08Å; I23-K27 HydrophobicContact CG2-CD 4.27Å; I23-K27 HydrophobicContact CG2-CG 4.49Å; I23-K27 WeakPolarHBondContact O-CB 3.31Å; I23-K27 WeakPolarHBondContact O-CG 3.29Å; I23-K27 PolarHBondContact O-N 3Å; I23-V408 HydrophobicContact CB-CG1 4.39Å; I23-V408 HydrophobicContact CG1-CG1 4.2Å; I23-V408 HydrophobicContact CG2-CG1 4Å
24L94.4Very high90.5Very high5 Ų566.3 Ų66.33%0.02637%0.371CS..Hα-helixtrans-61.3-47.9174.5-179.6145.7000110.8A20 K21 K27 I28 V42 T285 L382A20-L24 PolarHBondContact O-N 3.35Å; K21-L24 WeakPolarHBondContact O-CA 3.44Å; K21-L24 WeakPolarHBondContact O-CB 3.26Å; K21-L24 PolarHBondContact O-N 3.49Å; K21-L24 VanDerWaalsContact O-N 3.08Å; L24-K27 PolarHBondContact O-N 2.8Å; L24-I28 HydrophobicContact CD2-CD1 3.69Å; L24-I28 HydrophobicContact CG-CD1 4.35Å; L24-I28 WeakPolarHBondContact O-CG1 3.46Å; L24-I28 PolarHBondContact O-N 3.07Å; L24-V42 HydrophobicContact CB-CG2 3.86Å; L24-V42 HydrophobicContact CD1-CG2 4.4Å; L24-V42 HydrophobicContact CG-CG2 4.43Å; L24-T285 HydrophobicContact CD1-CG2 3.58Å; L24-L382 HydrophobicContact CD1-CD2 4.26Å; L24-L382 HydrophobicContact CD2-CD1 3.62Å; L24-L382 HydrophobicContact CD2-CD2 3.74Å; L24-L382 HydrophobicContact CD2-CG 4.34Å; L24-L382 HydrophobicContact CG-CD2 4.47Å
25D93.9Very high90.3Very high38 Ų3873.2 Ų73.220%0.20341%0.408CS..Hα-helixtrans-63.9-41.2176.9-76.9-34.7000111.7K21 D22 K27 I28 N29 Q341K21-D25 PolarHBondContact O-N 2.94Å; D22-D25 PolarHBondContact O-N 3.01Å; D25-K27 PolarHBondContact O-N 3.1Å; D25-I28 PolarHBondContact O-N 3.44Å; D25-N29 WeakPolarHBondContact O-CB 3.41Å; D25-N29 PolarHBondContact O-N 3.05Å; D25-N29 PolarHBondContact O-ND2 2.94Å; D25-Q341 PolarHBondContact OD1-NE2 3.21Å
26Q93.1Very high90.5Very high86 Ų8675 Ų7540%0.40242%0.417SS..Hα-helixtrans-58.7-48.7175.2-176.7-175.2-17.800111.4D22 I23 I28 N29 E30D22-Q26 VanDerWaalsContact O-CB 3.31Å; D22-Q26 WeakPolarHBondContact O-CB 3.47Å; D22-Q26 PolarHBondContact O-N 3.04Å; I23-Q26 PolarHBondContact O-N 3.08Å; Q26-I28 VanDerWaalsContact C-N 3.34Å; Q26-I28 PolarHBondContact O-N 3.2Å; Q26-N29 PolarHBondContact O-N 3.39Å; Q26-N29 VanDerWaalsContact O-N 3.12Å; Q26-E30 HydrophobicContact CG-CG 4.45Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.44Å; Q26-E30 PolarHBondContact NE2-OE1 3.31Å; Q26-E30 WeakPolarHBondContact O-CG 3.04Å; Q26-E30 PolarHBondContact O-N 3.2Å
27K93.3Very high90.9Very high41 Ų4167.4 Ų67.418%0.17838%0.381CS..Hα-helixtrans-62.9-39.9179.9-77.9-177.7172.7-70.20112.7I23 L24 D25 N29 E30 V31 F40 Y406I23-K27 HydrophobicContact CG2-CD 4.27Å; I23-K27 HydrophobicContact CG2-CG 4.49Å; I23-K27 WeakPolarHBondContact O-CB 3.31Å; I23-K27 WeakPolarHBondContact O-CG 3.29Å; I23-K27 PolarHBondContact O-N 3Å; L24-K27 PolarHBondContact O-N 2.8Å; D25-K27 PolarHBondContact O-N 3.1Å; K27-N29 VanDerWaalsContact C-N 3.3Å; K27-N29 PolarHBondContact O-N 2.99Å; K27-E30 PolarHBondContact O-N 3.19Å; K27-V31 PolarHBondContact O-N 3.13Å; K27-F40 HydrophobicContact CB-CE1 4.47Å; K27-F40 HydrophobicContact CB-CE2 3.88Å; K27-F40 HydrophobicContact CB-CZ 3.68Å; K27-F40 HydrophobicContact CD-CD2 4.32Å; K27-F40 HydrophobicContact CD-CE2 3.95Å; K27-Y406 HydrophobicContact CD-CD1 4.44Å; K27-Y406 HydrophobicContact CD-CD2 3.59Å; K27-Y406 HydrophobicContact CD-CE2 3.92Å; K27-Y406 HydrophobicContact CD-CG 3.87Å
28I93.6Very high91.5Very high7 Ų769.8 Ų69.84%0.03638%0.376CS..Hα-helixtrans-61.2-42.3173.8-73.9173.4000110.8L24 D25 Q26 V31 S32 F40 A287 Q341 W380 L382L24-I28 HydrophobicContact CD2-CD1 3.69Å; L24-I28 HydrophobicContact CG-CD1 4.35Å; L24-I28 WeakPolarHBondContact O-CG1 3.46Å; L24-I28 PolarHBondContact O-N 3.07Å; D25-I28 PolarHBondContact O-N 3.44Å; Q26-I28 VanDerWaalsContact C-N 3.34Å; Q26-I28 PolarHBondContact O-N 3.2Å; I28-V31 WeakPolarHBondContact O-CG2 3.4Å; I28-V31 PolarHBondContact O-N 3.35Å; I28-S32 PolarHBondContact O-N 3.37Å; I28-F40 HydrophobicContact CG1-CE1 4.11Å; I28-F40 HydrophobicContact CG1-CZ 3.87Å; I28-A287 HydrophobicContact CD1-CB 4.45Å; I28-Q341 HydrophobicContact CD1-CG 3.76Å; I28-W380 HydrophobicContact CD1-CB 4.01Å; I28-W380 HydrophobicContact CD1-CD2 4.22Å; I28-W380 HydrophobicContact CD1-CG 3.94Å; I28-W380 HydrophobicContact CG1-CD2 4Å; I28-W380 HydrophobicContact CG1-CG 4.05Å; I28-W380 VanDerWaalsContact CG2-CD1 3.46Å; I28-W380 HydrophobicContact CG2-CG 4.08Å; I28-L382 HydrophobicContact CD1-CD2 4.01Å
29N92.4Very high91.9Very high98 Ų9865.5 Ų65.552%0.52436%0.358SS..Hα-helixtrans-70.7-34.9179.9-69.3-34.4000112.8D25 Q26 K27 V31 S32D25-N29 WeakPolarHBondContact O-CB 3.41Å; D25-N29 PolarHBondContact O-N 3.05Å; D25-N29 PolarHBondContact O-ND2 2.94Å; Q26-N29 PolarHBondContact O-N 3.39Å; Q26-N29 VanDerWaalsContact O-N 3.12Å; K27-N29 VanDerWaalsContact C-N 3.3Å; K27-N29 PolarHBondContact O-N 2.99Å; N29-V31 VanDerWaalsContact C-N 3.28Å; N29-V31 PolarHBondContact O-N 3.42Å; N29-S32 VanDerWaalsContact O-CB 3.22Å; N29-S32 WeakPolarHBondContact O-CB 3.16Å; N29-S32 PolarHBondContact O-N 2.84Å; N29-S32 PolarHBondContact O-OG 3.34Å
30E90.4Very high92.2Very high115 Ų11564 Ų6454%0.53735%0.348SS..Hα-helixtrans-59.3-37.4176.1-76.7170.7-176.900112.1Q26 K27Q26-E30 HydrophobicContact CG-CG 4.45Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.44Å; Q26-E30 PolarHBondContact NE2-OE1 3.31Å; Q26-E30 WeakPolarHBondContact O-CG 3.04Å; Q26-E30 PolarHBondContact O-N 3.2Å; K27-E30 PolarHBondContact O-N 3.19Å
31V88.8Confident92.5Very high40 Ų4063.4 Ų63.424%0.24234%0.344CS..THydrogen-bonded Turntrans-95.610.6179.1-57.60000113.5K27 I28 N29 S33 S34 K37 W380K27-V31 PolarHBondContact O-N 3.13Å; I28-V31 WeakPolarHBondContact O-CG2 3.4Å; I28-V31 PolarHBondContact O-N 3.35Å; N29-V31 VanDerWaalsContact C-N 3.28Å; N29-V31 PolarHBondContact O-N 3.42Å; V31-S33 PolarHBondContact O-N 2.73Å; V31-S34 PolarHBondContact O-N 3.42Å; V31-S34 VanDerWaalsContact O-N 3.08Å; V31-S34 VanDerWaalsContact O-O 3.11Å; V31-K37 HydrophobicContact CG2-CG 4.42Å; V31-K37 WeakPolarHBondContact O-CE 3.48Å; V31-W380 HydrophobicContact CG2-CZ2 3.75Å
32S85.6Confident92.8Very high77 Ų7758.2 Ų58.254%0.53832%0.321SS..THydrogen-bonded Turntrans-58.7-33.2-176.157.70000114I28 N29I28-S32 PolarHBondContact O-N 3.37Å; N29-S32 VanDerWaalsContact O-CB 3.22Å; N29-S32 WeakPolarHBondContact O-CB 3.16Å; N29-S32 PolarHBondContact O-N 2.84Å; N29-S32 PolarHBondContact O-OG 3.34Å
33S81.6Confident93.1Very high116 Ų11655.3 Ų55.381%0.81131%0.306SS*.THydrogen-bonded Turntrans-101.1-0.2178.359.20000114.2V31V31-S33 PolarHBondContact O-N 2.73Å
34S89.3Confident93.3Very high42 Ų4255.1 Ų55.129%0.29431%0.305SS..  trans-96.3147.9175.4-1740000110.2V31 D36 K37V31-S34 PolarHBondContact O-N 3.42Å; V31-S34 VanDerWaalsContact O-N 3.08Å; V31-S34 VanDerWaalsContact O-O 3.11Å; S34-D36 PolarHBondContact OG-N 2.98Å; S34-K37 WeakPolarHBondContact O-CE 3.36Å
35D85.3Confident93.4Very high155 Ų15555 Ų5583%0.82930%0.304SS*.SBendtrans-85.8-16.8171.1-68-34.8000112.2K37D35-K37 VanDerWaalsContact C-N 3.27Å; D35-K37 PolarHBondContact O-N 3.15Å
36D92.5Very high93.6Very high133 Ų13353.3 Ų53.371%0.71130%0.296SS*.  trans-76.876.8175.9-64.9-25.4000110.3S34S34-D36 PolarHBondContact OG-N 2.98Å
37K95.8Very high93.8Very high38 Ų3849.5 Ų49.517%0.16528%0.278CS..  trans-105.248.3-176.9-63.2-174.7-176.71790112.2V31 S34 D35 N289 N319 W380V31-K37 HydrophobicContact CG2-CG 4.42Å; V31-K37 WeakPolarHBondContact O-CE 3.48Å; S34-K37 WeakPolarHBondContact O-CE 3.36Å; D35-K37 VanDerWaalsContact C-N 3.27Å; D35-K37 PolarHBondContact O-N 3.15Å; K37-N289 HydrophobicContact CB-CB 4.06Å; K37-N289 VanDerWaalsContact O-CB 3.25Å; K37-N289 WeakPolarHBondContact O-CB 3.32Å; K37-N319 PolarHBondContact O-ND2 3.2Å; K37-W380 HydrophobicContact CB-CH2 4.08Å; K37-W380 HydrophobicContact CB-CZ2 3.71Å; K37-W380 HydrophobicContact CD-CZ2 4.4Å; K37-W380 HydrophobicContact CG-CZ2 4.11Å; K37-W380 WeakPolarHBondContact O-CH2 3.34Å
38D97.8Very high94.1Very high127 Ų12747.6 Ų47.668%0.67927%0.27SS*.  trans-58.8144.7178.2-75.7-18.9000112W380D38-W380 WeakPolarHBondContact O-CH2 3.31Å
39A98.5Very high94.3Very high8 Ų847.3 Ų47.37%0.06627%0.269CS..  trans-57.9144.5173.900000110.7L286 A287 V288 N319 D320 P403A39-L286 HydrophobicContact CB-CD1 4.44Å; A39-A287 VanDerWaalsContact CA-O 3.27Å; A39-A287 WeakPolarHBondContact CA-O 3.31Å; A39-A287 WeakPolarHBondContact CB-O 3.46Å; A39-V288 HydrophobicContact CB-CG1 4.2Å; A39-N319 PolarHBondContact N-ND2 3.08Å; A39-N319 VanDerWaalsContact N-ND2 3.18Å; A39-D320 HydrophobicContact CB-CB 4.27Å; A39-P403 HydrophobicContact CB-CB 4.16Å; A39-P403 HydrophobicContact CB-CG 3.93Å; A39-P403 WeakPolarHBondContact O-CA 3.32Å; A39-P403 WeakPolarHBondContact O-CB 3.5Å
40F98.4Very high94.5Very high12 Ų1244.2 Ų44.25%0.05325%0.25CS..EExtended strand (participates in β ladder)trans-149.1157.8178.570.4-89.4000112.5K27 I28 V42 A287 W380 T404 Y406K27-F40 HydrophobicContact CB-CE1 4.47Å; K27-F40 HydrophobicContact CB-CE2 3.88Å; K27-F40 HydrophobicContact CB-CZ 3.68Å; K27-F40 HydrophobicContact CD-CD2 4.32Å; K27-F40 HydrophobicContact CD-CE2 3.95Å; I28-F40 HydrophobicContact CG1-CE1 4.11Å; I28-F40 HydrophobicContact CG1-CZ 3.87Å; F40-V42 HydrophobicContact CD2-CG2 4.27Å; F40-V42 HydrophobicContact CE2-CG2 3.89Å; F40-A287 HydrophobicContact CD1-CB 4.23Å; F40-A287 HydrophobicContact CE1-CB 3.86Å; F40-A287 HydrophobicContact CE2-CB 4.31Å; F40-A287 HydrophobicContact CZ-CB 3.91Å; F40-A287 PolarHBondContact N-O 2.83Å; F40-A287 VanDerWaalsContact N-O 3.07Å; F40-A287 PolarHBondContact O-N 2.67Å; F40-W380 AromaticContact CD1-CH2 3.95Å; F40-W380 HydrophobicContact CD1-CH2 3.95Å; F40-W380 AromaticContact CD1-CZ3 3.9Å; F40-W380 HydrophobicContact CD1-CZ3 3.9Å; F40-W380 HydrophobicContact CE1-CE3 4.36Å; F40-W380 AromaticContact CE1-CH2 3.77Å; F40-W380 HydrophobicContact CE1-CH2 3.77Å; F40-W380 HydrophobicContact CE1-CZ2 4.42Å; F40-W380 AromaticContact CE1-CZ3 3.73Å; F40-W380 HydrophobicContact CE1-CZ3 3.73Å; F40-T404 CarbonylContact C-O 3.58Å; F40-T404 WeakPolarHBondContact CA-O 3.4Å; F40-T404 WeakPolarHBondContact CB-O 3.39Å; F40-Y406 HydrophobicContact CB-CD2 4.11Å; F40-Y406 HydrophobicContact CB-CE2 3.73Å; F40-Y406 AromaticContact CD2-CD2 3.74Å; F40-Y406 HydrophobicContact CD2-CD2 3.74Å; F40-Y406 AromaticContact CD2-CE2 3.92Å; F40-Y406 HydrophobicContact CD2-CE2 3.92Å; F40-Y406 HydrophobicContact CG-CD2 4.22Å; F40-Y406 AromaticContact CG-CE2 3.96Å; F40-Y406 HydrophobicContact CG-CE2 3.96Å
41Y98.7Very high94.9Very high0 Ų039.3 Ų39.30%023%0.227CC..EExtended strand (participates in β ladder)trans-103145171-80.4-83.9000111.3F284 T285 L286 S325 M386 V391 P403 T404 I405 Y406Y41-F284 HydrophobicContact CD1-CB 3.91Å; Y41-F284 AromaticContact CD1-CD1 3.84Å; Y41-F284 HydrophobicContact CD1-CD1 3.84Å; Y41-F284 HydrophobicContact CD1-CG 4.39Å; Y41-F284 HydrophobicContact CE1-CB 4.1Å; Y41-F284 HydrophobicContact CE1-CD1 4.32Å; Y41-F284 HydrophobicContact CG-CD1 4.22Å; Y41-T285 WeakPolarHBondContact CA-O 3.45Å; Y41-L286 HydrophobicContact CD1-CB 3.97Å; Y41-L286 HydrophobicContact CD1-CD1 4.47Å; Y41-L286 HydrophobicContact CD2-CD1 4Å; Y41-L286 HydrophobicContact CE1-CB 3.54Å; Y41-L286 HydrophobicContact CE1-CD1 4.26Å; Y41-L286 HydrophobicContact CE1-CG 4.35Å; Y41-L286 HydrophobicContact CE2-CD1 3.71Å; Y41-L286 HydrophobicContact CG-CD1 4.37Å; Y41-S325 WeakPolarHBondContact OH-CB 3.35Å; Y41-S325 PolarHBondContact OH-OG 3.27Å; Y41-M386 HydrophobicContact CE1-CB 3.78Å; Y41-M386 PolarHBondContact OH-O 3.33Å; Y41-V391 HydrophobicContact CD2-CG1 4.19Å; Y41-V391 HydrophobicContact CE2-CG1 3.54Å; Y41-P403 HydrophobicContact CD2-CB 3.87Å; Y41-P403 HydrophobicContact CE2-CB 4.09Å; Y41-P403 HydrophobicContact CE2-CG 4.25Å; Y41-T404 PolarHBondContact N-O 3.04Å; Y41-I405 HydrophobicContact CD2-CG1 4.19Å; Y41-I405 HydrophobicContact CG-CG1 4.46Å; Y41-Y406 WeakPolarHBondContact O-CD2 3.49Å; Y41-Y406 PolarHBondContact O-N 2.87Å
42V98.4Very high95.4Very high4 Ų437.5 Ų37.52%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-106.3128.5152.8-178.90000108.1A20 L24 F40 F284 T285 Y406 V408A20-V42 HydrophobicContact CB-CG1 4.11Å; L24-V42 HydrophobicContact CB-CG2 3.86Å; L24-V42 HydrophobicContact CD1-CG2 4.4Å; L24-V42 HydrophobicContact CG-CG2 4.43Å; F40-V42 HydrophobicContact CD2-CG2 4.27Å; F40-V42 HydrophobicContact CE2-CG2 3.89Å; V42-F284 WeakPolarHBondContact O-CA 3.33Å; V42-T285 PolarHBondContact N-O 3.43Å; V42-T285 PolarHBondContact O-N 3.5Å; V42-Y406 WeakPolarHBondContact CA-O 3.37Å; V42-V408 HydrophobicContact CG1-CG1 4.21Å; V42-V408 HydrophobicContact CG1-CG2 3.95Å
43A98.5Very high95.9Very high0 Ų034.6 Ų34.60%019%0.194CC..EExtended strand (participates in β ladder)trans-120.4109.9-177.400000110.9L45 A283 F284 I405 Y406 Y407 V408A43-L45 PolarHBondContact O-N 2.69Å; A43-A283 CarbonylContact C-O 3.59Å; A43-A283 VanDerWaalsContact CA-O 3.24Å; A43-A283 WeakPolarHBondContact CA-O 3.47Å; A43-F284 HydrophobicContact CB-CD1 3.76Å; A43-F284 HydrophobicContact CB-CD2 4.33Å; A43-F284 HydrophobicContact CB-CE1 3.6Å; A43-F284 HydrophobicContact CB-CE2 4.18Å; A43-F284 HydrophobicContact CB-CG 4.13Å; A43-F284 HydrophobicContact CB-CZ 3.82Å; A43-I405 HydrophobicContact CB-CG2 3.72Å; A43-Y406 PolarHBondContact N-O 2.79Å; A43-Y407 HydrophobicContact CB-CD1 3.55Å; A43-Y407 HydrophobicContact CB-CE1 3.79Å; A43-Y407 WeakPolarHBondContact O-CA 3.42Å; A43-V408 PolarHBondContact O-N 2.91Å
44D98.3Very high96.7Very high16 Ų1631.9 Ų31.99%0.08617%0.166CC..EExtended strand (participates in β ladder)trans-86.1102.5179.8-173.82.2000111.4A20 G46 D47 A283 V408A20-D44 HydrophobicContact CB-CB 3.87Å; D44-G46 PolarHBondContact O-N 2.84Å; D44-G46 WeakPolarHBondContact OD1-CA 3.48Å; D44-G46 PolarHBondContact OD1-N 2.91Å; D44-D47 HydrophobicContact CB-CB 4.32Å; D44-D47 WeakPolarHBondContact O-CB 3.43Å; D44-D47 PolarHBondContact O-N 3.05Å; D44-D47 VanDerWaalsContact O-N 3.16Å; D44-A283 PolarHBondContact N-O 3.42Å; D44-V408 HydrophobicContact CB-CG2 4.19Å
45L98Very high97.1Very high2 Ų229.9 Ų29.91%0.0115%0.152CC..Hα-helixtrans-66.9-21.5175.9-59.5-179.5000112.2F11 A43 D47 I48 L49 I76 Y407 V408 M409F11-L45 HydrophobicContact CB-CD1 4.19Å; F11-L45 HydrophobicContact CD1-CD1 4.21Å; F11-L45 HydrophobicContact CG-CD1 4.27Å; A43-L45 PolarHBondContact O-N 2.69Å; L45-D47 VanDerWaalsContact C-N 3.32Å; L45-I48 HydrophobicContact CD2-CD1 3.95Å; L45-I48 PolarHBondContact O-N 3.48Å; L45-L49 PolarHBondContact O-N 3.23Å; L45-I76 HydrophobicContact CD2-CD1 3.8Å; L45-Y407 HydrophobicContact CD2-CD1 3.91Å; L45-Y407 HydrophobicContact CG-CD1 4.34Å; L45-V408 PolarHBondContact N-O 2.71Å; L45-M409 HydrophobicContact CB-CB 4.29Å; L45-M409 HydrophobicContact CB-CG 4.23Å; L45-M409 HydrophobicContact CB-SD 4.33Å
46G97Very high97.6Very high3 Ų324.2 Ų24.23%0.03112%0.121CC..Hα-helixtrans-68.1-28.9173.300000113.1D44 I48 L49 K50D44-G46 PolarHBondContact O-N 2.84Å; D44-G46 WeakPolarHBondContact OD1-CA 3.48Å; D44-G46 PolarHBondContact OD1-N 2.91Å; G46-I48 VanDerWaalsContact C-N 3.33Å; G46-L49 PolarHBondContact O-N 2.91Å; G46-K50 WeakPolarHBondContact O-CG 3.47Å; G46-K50 PolarHBondContact O-N 2.96Å; G46-K50 VanDerWaalsContact O-N 3.08Å
47D98.3Very high97.8Very high6 Ų626.4 Ų26.43%0.03212%0.124CC..Hα-helixtrans-65-39.1174.3-169.863.4000111.3D44 L45 L49 K50 K51 S282 A283D44-D47 HydrophobicContact CB-CB 4.32Å; D44-D47 WeakPolarHBondContact O-CB 3.43Å; D44-D47 PolarHBondContact O-N 3.05Å; D44-D47 VanDerWaalsContact O-N 3.16Å; L45-D47 VanDerWaalsContact C-N 3.32Å; D47-L49 VanDerWaalsContact C-N 3.33Å; D47-L49 PolarHBondContact O-N 3.36Å; D47-K50 WeakPolarHBondContact O-CB 3.5Å; D47-K50 PolarHBondContact O-N 3.44Å; D47-K50 VanDerWaalsContact O-N 3.16Å; D47-K51 WeakPolarHBondContact O-CG 3.28Å; D47-K51 PolarHBondContact O-N 3.14Å; D47-K51 IonicContact OD2-NZ 3.74Å; D47-S282 PolarHBondContact OD2-OG 3.34Å; D47-A283 HydrophobicContact CB-CB 4.04Å; D47-A283 PolarHBondContact OD2-N 3.05Å
48I98.5Very high97.9Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-62.6-41.5177.4-60.7167.1000110.9L45 G46 K51 H52 I76 T79 L80 Y279 A283L45-I48 HydrophobicContact CD2-CD1 3.95Å; L45-I48 PolarHBondContact O-N 3.48Å; G46-I48 VanDerWaalsContact C-N 3.33Å; I48-K51 PolarHBondContact O-N 3.04Å; I48-H52 PolarHBondContact O-N 3.17Å; I48-I76 HydrophobicContact CD1-CD1 3.37Å; I48-I76 HydrophobicContact CD1-CG2 4.2Å; I48-T79 HydrophobicContact CG2-CG2 4.32Å; I48-L80 HydrophobicContact CG2-CD2 3.6Å; I48-L80 HydrophobicContact CG2-CG 3.89Å; I48-Y279 HydrophobicContact CG2-CD1 4.07Å; I48-A283 HydrophobicContact CG1-CB 4.07Å
49L97.8Very high98Very high1 Ų119.1 Ų19.11%0.0059%0.089CC..Hα-helixtrans-61.4-46.2173.5170.965.9000111.3L45 G46 D47 K51 H52 M53 L83 A413 L416 I420L45-L49 PolarHBondContact O-N 3.23Å; G46-L49 PolarHBondContact O-N 2.91Å; D47-L49 VanDerWaalsContact C-N 3.33Å; D47-L49 PolarHBondContact O-N 3.36Å; L49-K51 VanDerWaalsContact C-N 3.29Å; L49-K51 PolarHBondContact O-N 3.4Å; L49-H52 WeakPolarHBondContact O-CB 3.45Å; L49-H52 PolarHBondContact O-N 2.89Å; L49-M53 HydrophobicContact CD1-CG 4.35Å; L49-M53 WeakPolarHBondContact O-CG 3.44Å; L49-M53 PolarHBondContact O-N 2.88Å; L49-L83 HydrophobicContact CB-CD1 4.46Å; L49-L83 HydrophobicContact CD1-CD1 4.36Å; L49-L83 HydrophobicContact CD1-CD2 3.45Å; L49-L83 VanDerWaalsContact CD1-CD2 3.45Å; L49-A413 HydrophobicContact CD2-CB 3.72Å; L49-A413 VanDerWaalsContact CD2-O 3.25Å; L49-A413 WeakPolarHBondContact CD2-O 3.29Å; L49-L416 HydrophobicContact CD1-CD2 4.24Å; L49-L416 HydrophobicContact CD1-CG 4.26Å; L49-L416 HydrophobicContact CD2-CB 4.11Å; L49-L416 HydrophobicContact CD2-CD2 3.94Å; L49-L416 HydrophobicContact CD2-CG 4.13Å; L49-L416 HydrophobicContact CG-CD2 4.34Å; L49-I420 HydrophobicContact CD1-CD1 3.82Å
50K97.6Very high97.9Very high33 Ų3322.9 Ų22.914%0.14311%0.112CC..Hα-helixtrans-58.1-42.3176.3-69.1169.2-176.4166.30111.6G46 D47 H52 M53 R54 P438G46-K50 WeakPolarHBondContact O-CG 3.47Å; G46-K50 PolarHBondContact O-N 2.96Å; G46-K50 VanDerWaalsContact O-N 3.08Å; D47-K50 WeakPolarHBondContact O-CB 3.5Å; D47-K50 PolarHBondContact O-N 3.44Å; D47-K50 VanDerWaalsContact O-N 3.16Å; K50-H52 VanDerWaalsContact C-N 3.35Å; K50-M53 PolarHBondContact O-N 3.03Å; K50-R54 WeakPolarHBondContact O-CB 3.31Å; K50-R54 PolarHBondContact O-N 2.92Å; K50-P438 WeakPolarHBondContact CE-O 3.47Å; K50-P438 PolarHBondContact NZ-O 2.94Å
51K98.6Very high97.8Very high12 Ų1224.5 Ų24.55%0.05212%0.118CC..Hα-helixtrans-62.5-40.7174-65.7-67.1-178.255.80111.9D47 I48 L49 R54 W55 G240 Y278 Y279 S282D47-K51 WeakPolarHBondContact O-CG 3.28Å; D47-K51 PolarHBondContact O-N 3.14Å; D47-K51 IonicContact OD2-NZ 3.74Å; I48-K51 PolarHBondContact O-N 3.04Å; L49-K51 VanDerWaalsContact C-N 3.29Å; L49-K51 PolarHBondContact O-N 3.4Å; K51-R54 PolarHBondContact O-N 3.22Å; K51-W55 WeakPolarHBondContact O-CB 3.32Å; K51-W55 PolarHBondContact O-N 3.16Å; K51-G240 PolarHBondContact NZ-O 2.93Å; K51-Y278 HydrophobicContact CB-CD1 4.38Å; K51-Y278 HydrophobicContact CB-CE1 3.8Å; K51-Y278 HydrophobicContact CD-CE1 4.38Å; K51-Y278 HydrophobicContact CD-CE2 4.28Å; K51-Y278 WeakPolarHBondContact CD-O 3.42Å; K51-Y278 PolarHBondContact NZ-O 3.44Å; K51-Y278 WeakPolarHBondContact O-CE1 3.36Å; K51-Y278 PolarHBondContact O-OH 2.83Å; K51-Y279 HydrophobicContact CB-CD1 4Å; K51-Y279 HydrophobicContact CB-CE1 4.37Å; K51-S282 PolarHBondContact NZ-OG 3.36Å
52H98.1Very high97.8Very high3 Ų324.6 Ų24.61%0.01412%0.119CC..Hα-helixtrans-62.2-45.2176.7-161.167.3000112.2I48 L49 K50 W55 H56 L83 Y279 F425I48-H52 PolarHBondContact O-N 3.17Å; L49-H52 WeakPolarHBondContact O-CB 3.45Å; L49-H52 PolarHBondContact O-N 2.89Å; K50-H52 VanDerWaalsContact C-N 3.35Å; H52-W55 WeakPolarHBondContact O-CB 3.35Å; H52-W55 PolarHBondContact O-N 2.87Å; H52-H56 AromaticContact CD2-CD2 3.77Å; H52-H56 AromaticContact CD2-NE2 3.73Å; H52-H56 AromaticContact CE1-NE2 3.44Å; H52-H56 PolarHBondContact CE1-NE2 2.87Å; H52-H56 AromaticContact NE2-CD2 3.57Å; H52-H56 AromaticContact NE2-NE2 3.04Å; H52-H56 PolarHBondContact NE2-NE2 3.4Å; H52-H56 PolarHBondContact O-CD2 3.07Å; H52-H56 VanDerWaalsContact O-CD2 3.26Å; H52-H56 PolarHBondContact O-N 3.47Å; H52-L83 HydrophobicContact CB-CD1 3.98Å; H52-L83 PolarHBondContact NE2-O 2.77Å; H52-Y279 HydrophobicContact CB-CE1 3.9Å; H52-Y279 AromaticContact ND1-CE1 3.71Å; H52-Y279 AromaticContact ND1-CZ 3.68Å; H52-Y279 PolarHBondContact ND1-OH 3.4Å; H52-F425 AromaticContact CD2-CE2 3.75Å
53M96.9Very high97.8Very high15 Ų1527.2 Ų27.27%0.07414%0.135CC..Hα-helixtrans-62.2-46175.8-63.2-53.1-58.700111.8L49 K50 W55 H56 K57 I420 F425 V429L49-M53 HydrophobicContact CD1-CG 4.35Å; L49-M53 WeakPolarHBondContact O-CG 3.44Å; L49-M53 PolarHBondContact O-N 2.88Å; K50-M53 PolarHBondContact O-N 3.03Å; M53-W55 VanDerWaalsContact C-N 3.27Å; M53-W55 PolarHBondContact O-N 3.3Å; M53-H56 PolarHBondContact O-N 3.17Å; M53-K57 PolarHBondContact O-N 3.13Å; M53-K57 VanDerWaalsContact O-N 3.15Å; M53-I420 HydrophobicContact SD-CD1 4.07Å; M53-F425 HydrophobicContact CE-CE1 4.4Å; M53-F425 HydrophobicContact CE-CE2 4.01Å; M53-F425 HydrophobicContact CE-CZ 3.53Å; M53-F425 HydrophobicContact SD-CE2 3.38Å; M53-F425 WeakPolarHBondContact SD-CE2 3.42Å; M53-F425 HydrophobicContact SD-CZ 3.5Å; M53-F425 VanDerWaalsContact SD-CZ 3.5Å; M53-V429 HydrophobicContact CE-CB 4.39Å; M53-V429 HydrophobicContact CE-CG1 3.59Å; M53-V429 HydrophobicContact SD-CG1 4.35Å
54R98Very high97.8Very high60 Ų6027.3 Ų27.323%0.22614%0.136CC..Hα-helixtrans-60.4-37.3177.3-175.5-178.9-177.9179.61.6111.9K50 K51 A58 E242 F248 E249 Y278K50-R54 WeakPolarHBondContact O-CB 3.31Å; K50-R54 PolarHBondContact O-N 2.92Å; K51-R54 PolarHBondContact O-N 3.22Å; R54-A58 VanDerWaalsContact O-CB 3.31Å; R54-A58 WeakPolarHBondContact O-CB 3.32Å; R54-A58 PolarHBondContact O-N 3.13Å; R54-E242 IonicContact CZ-OE1 2.62Å; R54-E242 VanDerWaalsContact CZ-OE1 3.25Å; R54-E242 IonicContact NH1-OE1 3.8Å; R54-E242 PolarHBondContact NH1-OE1 3.41Å; R54-E242 IonicContact NH2-OE1 2.97Å; R54-E242 PolarHBondContact NH2-OE1 2.85Å; R54-F248 HydrophobicContact CG-CD1 4.2Å; R54-F248 HydrophobicContact CG-CE1 4.14Å; R54-E249 IonicContact CZ-OE1 2.67Å; R54-E249 VanDerWaalsContact CZ-OE1 3.29Å; R54-E249 IonicContact CZ-OE2 3.2Å; R54-E249 IonicContact NE-OE1 2.87Å; R54-E249 PolarHBondContact NE-OE1 2.82Å; R54-E249 IonicContact NE-OE2 3.89Å; R54-E249 VanDerWaalsContact NH2-CD 3.3Å; R54-E249 IonicContact NH2-OE1 2.63Å; R54-E249 PolarHBondContact NH2-OE1 3.02Å; R54-E249 VanDerWaalsContact NH2-OE1 3.16Å; R54-E249 IonicContact NH2-OE2 2.75Å; R54-E249 PolarHBondContact NH2-OE2 3.13Å; R54-Y278 WeakPolarHBondContact CB-OH 3.44Å
55W98.5Very high97.8Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-60.6-53.8176.5-180-81.5000111.8K51 H52 M53 K57 A58 L59 V62 P64 F238 F248 A273 P275 Y278K51-W55 WeakPolarHBondContact O-CB 3.32Å; K51-W55 PolarHBondContact O-N 3.16Å; H52-W55 WeakPolarHBondContact O-CB 3.35Å; H52-W55 PolarHBondContact O-N 2.87Å; M53-W55 VanDerWaalsContact C-N 3.27Å; M53-W55 PolarHBondContact O-N 3.3Å; W55-K57 VanDerWaalsContact C-N 3.28Å; W55-K57 PolarHBondContact O-N 3.05Å; W55-A58 PolarHBondContact O-N 3.34Å; W55-A58 VanDerWaalsContact O-N 3.16Å; W55-L59 HydrophobicContact CD2-CD1 4.32Å; W55-L59 HydrophobicContact CE3-CD1 4.31Å; W55-L59 HydrophobicContact CH2-CD1 3.65Å; W55-L59 HydrophobicContact CZ2-CD1 3.62Å; W55-L59 HydrophobicContact CZ3-CD1 4Å; W55-L59 PolarHBondContact O-N 3.42Å; W55-V62 HydrophobicContact CZ2-CB 4.38Å; W55-V62 HydrophobicContact CZ2-CG1 3.9Å; W55-V62 PolarHBondContact NE1-O 3.36Å; W55-P64 HydrophobicContact CD2-CB 4.19Å; W55-P64 HydrophobicContact CG-CB 4.37Å; W55-P64 HydrophobicContact CG-CG 4.32Å; W55-P64 HydrophobicContact CZ2-CB 4.2Å; W55-F238 AromaticContact CH2-CD2 3.96Å; W55-F238 HydrophobicContact CH2-CD2 3.96Å; W55-F238 AromaticContact CH2-CE2 3.59Å; W55-F238 HydrophobicContact CH2-CE2 3.59Å; W55-F238 AromaticContact CH2-CZ 3.96Å; W55-F238 HydrophobicContact CH2-CZ 3.96Å; W55-F238 AromaticContact CZ3-CD2 3.78Å; W55-F238 HydrophobicContact CZ3-CD2 3.78Å; W55-F238 AromaticContact CZ3-CE2 3.9Å; W55-F238 HydrophobicContact CZ3-CE2 3.9Å; W55-F238 HydrophobicContact CZ3-CG 4.17Å; W55-F238 HydrophobicContact CZ3-CZ 4.35Å; W55-F248 HydrophobicContact CD2-CZ 4.48Å; W55-F248 AromaticContact CE3-CE2 3.97Å; W55-F248 HydrophobicContact CE3-CE2 3.97Å; W55-F248 AromaticContact CE3-CZ 3.81Å; W55-F248 HydrophobicContact CE3-CZ 3.81Å; W55-F248 HydrophobicContact CZ3-CE2 4Å; W55-F248 HydrophobicContact CZ3-CZ 4.28Å; W55-A273 HydrophobicContact CH2-CB 3.57Å; W55-A273 HydrophobicContact CZ2-CB 3.54Å; W55-P275 HydrophobicContact CE3-CB 4.4Å; W55-P275 HydrophobicContact CE3-CG 4.33Å; W55-P275 HydrophobicContact CH2-CB 4.07Å; W55-P275 HydrophobicContact CH2-CG 3.84Å; W55-P275 HydrophobicContact CZ2-CG 4.34Å; W55-P275 HydrophobicContact CZ3-CB 3.73Å; W55-P275 HydrophobicContact CZ3-CG 3.85Å; W55-Y278 HydrophobicContact CB-CE1 3.98Å; W55-Y278 HydrophobicContact CD2-CE1 4.46Å; W55-Y278 AromaticContact CE3-CD1 3.86Å; W55-Y278 HydrophobicContact CE3-CD1 3.86Å; W55-Y278 AromaticContact CE3-CE1 3.7Å; W55-Y278 HydrophobicContact CE3-CE1 3.7Å; W55-Y278 HydrophobicContact CE3-CG 4.39Å; W55-Y278 HydrophobicContact CZ3-CD1 4.4Å; W55-Y278 PolarHBondContact N-OH 3.12Å
56H96.1Very high97.9Very high36 Ų3627.1 Ų27.117%0.16713%0.134CC..Hα-helixtrans-62.5-36.5-178.7-75.8-75000112.3H52 M53 P60 F425H52-H56 AromaticContact CD2-CD2 3.77Å; H52-H56 AromaticContact CD2-NE2 3.73Å; H52-H56 AromaticContact CE1-NE2 3.44Å; H52-H56 PolarHBondContact CE1-NE2 2.87Å; H52-H56 AromaticContact NE2-CD2 3.57Å; H52-H56 AromaticContact NE2-NE2 3.04Å; H52-H56 PolarHBondContact NE2-NE2 3.4Å; H52-H56 PolarHBondContact O-CD2 3.07Å; H52-H56 VanDerWaalsContact O-CD2 3.26Å; H52-H56 PolarHBondContact O-N 3.47Å; M53-H56 PolarHBondContact O-N 3.17Å; H56-P60 WeakPolarHBondContact O-CA 3.33Å; H56-P60 WeakPolarHBondContact O-CB 3.49Å; H56-F425 HydrophobicContact CB-CD1 4.31Å; H56-F425 HydrophobicContact CB-CE1 3.44Å; H56-F425 VanDerWaalsContact CB-CE1 3.44Å; H56-F425 HydrophobicContact CB-CZ 3.58Å; H56-F425 AromaticContact CD2-CD2 3.79Å; H56-F425 AromaticContact CD2-CE1 3.61Å; H56-F425 AromaticContact CD2-CE2 3.36Å; H56-F425 WeakPolarHBondContact CD2-CE2 3.46Å; H56-F425 AromaticContact CD2-CZ 3.26Å; H56-F425 WeakPolarHBondContact CD2-CZ 3.49Å; H56-F425 AromaticContact CG-CD1 3.94Å; H56-F425 AromaticContact CG-CE1 3.46Å; H56-F425 VanDerWaalsContact CG-CE1 3.46Å; H56-F425 AromaticContact CG-CZ 3.56Å; H56-F425 AromaticContact NE2-CD2 3.81Å; H56-F425 AromaticContact NE2-CE2 3.87Å; H56-F425 AromaticContact NE2-CG 3.99Å
57K96.9Very high98Very high178 Ų17827.1 Ų27.177%0.77413%0.133SC*.Hα-helixtrans-65.4-41.4174.3-173.9173.9-177.6171.60112.9M53 W55M53-K57 PolarHBondContact O-N 3.13Å; M53-K57 VanDerWaalsContact O-N 3.15Å; W55-K57 VanDerWaalsContact C-N 3.28Å; W55-K57 PolarHBondContact O-N 3.05Å
58A97.9Very high98Very high13 Ų1326.8 Ų26.811%0.10713%0.132CC..Hα-helixtrans-85.6-30-174.200000113.6R54 W55 F248 T252 N256R54-A58 VanDerWaalsContact O-CB 3.31Å; R54-A58 WeakPolarHBondContact O-CB 3.32Å; R54-A58 PolarHBondContact O-N 3.13Å; W55-A58 PolarHBondContact O-N 3.34Å; W55-A58 VanDerWaalsContact O-N 3.16Å; A58-F248 HydrophobicContact CB-CD1 4.26Å; A58-F248 HydrophobicContact CB-CE1 3.43Å; A58-F248 VanDerWaalsContact CB-CE1 3.43Å; A58-F248 HydrophobicContact CB-CZ 3.96Å; A58-T252 HydrophobicContact CB-CG2 4.02Å; A58-N256 PolarHBondContact O-ND2 3.31Å
59L98.1Very high98Very high0 Ų030.5 Ų30.50%015%0.148CC..  trans-132.563.9-179.2-68.7173.5000110.6W55 R61 V62 F238 F248 T252 I255W55-L59 HydrophobicContact CD2-CD1 4.32Å; W55-L59 HydrophobicContact CE3-CD1 4.31Å; W55-L59 HydrophobicContact CH2-CD1 3.65Å; W55-L59 HydrophobicContact CZ2-CD1 3.62Å; W55-L59 HydrophobicContact CZ3-CD1 4Å; W55-L59 PolarHBondContact O-N 3.42Å; L59-R61 PolarHBondContact O-N 3.47Å; L59-V62 HydrophobicContact CB-CB 3.96Å; L59-V62 HydrophobicContact CB-CG2 4Å; L59-V62 HydrophobicContact CD2-CG2 4.26Å; L59-V62 PolarHBondContact O-N 3.08Å; L59-F238 HydrophobicContact CD1-CE1 4.36Å; L59-F238 HydrophobicContact CD1-CZ 4.42Å; L59-F248 HydrophobicContact CD1-CE2 4.35Å; L59-F248 HydrophobicContact CD1-CZ 4.28Å; L59-T252 HydrophobicContact CD1-CG2 3.82Å; L59-T252 HydrophobicContact CD2-CG2 3.8Å; L59-T252 HydrophobicContact CG-CG2 3.55Å; L59-I255 HydrophobicContact CD2-CB 4.38Å; L59-I255 HydrophobicContact CD2-CG2 3.89Å
60P96.6Very high98Very high86 Ų8630.5 Ų30.556%0.55815%0.148SC*.THydrogen-bonded Turntrans-64-18-171.325.7-36000114.2H56H56-P60 WeakPolarHBondContact O-CA 3.33Å; H56-P60 WeakPolarHBondContact O-CB 3.49Å
61R97.3Very high98.1Very high46 Ų4628.9 Ų28.917%0.17414%0.141CC..THydrogen-bonded Turntrans-92.8-5.5178.7-60.1179.858.6-157.6-9.5113.5L59 D260 F263 L265L59-R61 PolarHBondContact O-N 3.47Å; R61-D260 IonicContact CZ-OD1 3Å; R61-D260 IonicContact NH1-OD1 2.68Å; R61-D260 PolarHBondContact NH1-OD1 3.46Å; R61-F263 PolarHBondContact NH1-O 3.06Å; R61-F263 PolarHBondContact NH2-O 3.35Å; R61-L265 HydrophobicContact CG-CD2 4.17Å
62V98.5Very high98.1Very high2 Ų232.2 Ų32.21%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-116.7115.1-166.8-171.60000110.8W55 L59 P64 I234 L259 I271 A273W55-V62 HydrophobicContact CZ2-CB 4.38Å; W55-V62 HydrophobicContact CZ2-CG1 3.9Å; W55-V62 PolarHBondContact NE1-O 3.36Å; L59-V62 HydrophobicContact CB-CB 3.96Å; L59-V62 HydrophobicContact CB-CG2 4Å; L59-V62 HydrophobicContact CD2-CG2 4.26Å; L59-V62 PolarHBondContact O-N 3.08Å; V62-P64 WeakPolarHBondContact O-CD 3.33Å; V62-I234 HydrophobicContact CG1-CD1 4.01Å; V62-I234 HydrophobicContact CG1-CG1 4.34Å; V62-I234 HydrophobicContact CG2-CD1 4.34Å; V62-L259 HydrophobicContact CG2-CD1 3.85Å; V62-I271 WeakPolarHBondContact CA-O 3.2Å; V62-I271 HydrophobicContact CB-CG2 4.47Å; V62-I271 HydrophobicContact CG1-CG2 4.18Å; V62-I271 HydrophobicContact CG2-CB 4.42Å; V62-I271 HydrophobicContact CG2-CG2 3.9Å; V62-A273 HydrophobicContact CG1-CB 3.68Å
63T98.6Very high98.1Very high60 Ų6032.8 Ų32.837%0.36816%0.164SC..EExtended strand (participates in β ladder)trans-79.7123.5177.1-56.30000110.6F65 I271 I272 A273T63-F65 HydrophobicContact CG2-CD2 4.32Å; T63-F65 HydrophobicContact CG2-CE2 3.88Å; T63-I271 PolarHBondContact N-O 2.66Å; T63-I272 VanDerWaalsContact O-CA 3.23Å; T63-I272 WeakPolarHBondContact O-CA 3.37Å; T63-A273 PolarHBondContact O-N 3.34Å; T63-A273 VanDerWaalsContact O-N 3.09Å
64P98.7Very high98.1Very high2 Ų237.4 Ų37.41%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-78.8127.718029.2-31000111.9W55 V62 G86 P275 Y279W55-P64 HydrophobicContact CD2-CB 4.19Å; W55-P64 HydrophobicContact CG-CB 4.37Å; W55-P64 HydrophobicContact CG-CG 4.32Å; W55-P64 HydrophobicContact CZ2-CB 4.2Å; V62-P64 WeakPolarHBondContact O-CD 3.33Å; P64-G86 PolarHBondContact O-N 2.82Å; P64-P275 HydrophobicContact CB-CG 3.87Å; P64-Y279 HydrophobicContact CB-CE2 4.04Å; P64-Y279 WeakPolarHBondContact CB-OH 3.33Å; P64-Y279 VanDerWaalsContact CG-OH 3.24Å; P64-Y279 WeakPolarHBondContact CG-OH 3.42Å
65F98.9Very high98Very high14 Ų1435.4 Ų35.46%0.06118%0.18CC..EExtended strand (participates in β ladder)trans-107.4106.2167.2-77.6-118.5000109T63 A67 G86 R107 I109 I272 A273 E274 P275T63-F65 HydrophobicContact CG2-CD2 4.32Å; T63-F65 HydrophobicContact CG2-CE2 3.88Å; F65-A67 PolarHBondContact O-N 2.75Å; F65-G86 CarbonylContact C-O 3.1Å; F65-G86 VanDerWaalsContact CA-C 3.46Å; F65-G86 WeakPolarHBondContact CA-O 3.29Å; F65-R107 WeakPolarHBondContact CE1-O 3.37Å; F65-I109 HydrophobicContact CB-CG2 4.3Å; F65-I109 HydrophobicContact CD1-CB 4.24Å; F65-I109 HydrophobicContact CD1-CG2 3.73Å; F65-I109 HydrophobicContact CE1-CG2 4.46Å; F65-I109 HydrophobicContact CG-CG2 4.27Å; F65-I272 HydrophobicContact CD2-CB 3.87Å; F65-I272 HydrophobicContact CD2-CD1 4.19Å; F65-I272 HydrophobicContact CD2-CG2 4.03Å; F65-I272 HydrophobicContact CE2-CB 4Å; F65-I272 HydrophobicContact CE2-CD1 4.32Å; F65-I272 HydrophobicContact CE2-CG2 3.61Å; F65-I272 HydrophobicContact CG-CD1 4.45Å; F65-I272 HydrophobicContact CZ-CG2 4.44Å; F65-A273 WeakPolarHBondContact CA-O 3.23Å; F65-A273 WeakPolarHBondContact CB-O 3.35Å; F65-A273 PolarHBondContact N-O 3.28Å; F65-E274 CarbonylContact O-C 3.59Å; F65-E274 VanDerWaalsContact O-CA 3.25Å; F65-E274 WeakPolarHBondContact O-CA 3.2Å; F65-P275 WeakPolarHBondContact O-CD 3.33Å
66Y98.9Very high98Very high0 Ų035.4 Ų35.40%018%0.18CC..EExtended strand (participates in β ladder)trans-64.1126.3-175.5175-112.8000111.7V68 N71 I76 L80 G86 F87 D88 P275 Y279 V280Y66-V68 HydrophobicContact CD1-CG2 4.32Å; Y66-V68 PolarHBondContact O-N 2.86Å; Y66-V68 VanDerWaalsContact O-N 3.09Å; Y66-N71 WeakPolarHBondContact OH-CB 3.37Å; Y66-N71 PolarHBondContact OH-N 2.97Å; Y66-N71 VanDerWaalsContact OH-N 3.13Å; Y66-N71 PolarHBondContact OH-O 3.13Å; Y66-I76 HydrophobicContact CE1-CG2 4.39Å; Y66-L80 HydrophobicContact CD1-CD1 3.62Å; Y66-L80 HydrophobicContact CD2-CD1 3.59Å; Y66-L80 HydrophobicContact CE1-CD1 4.05Å; Y66-L80 HydrophobicContact CE2-CD1 4.03Å; Y66-L80 HydrophobicContact CG-CD1 3.37Å; Y66-G86 PolarHBondContact N-O 3.46Å; Y66-F87 HydrophobicContact CD1-CD1 4.2Å; Y66-F87 HydrophobicContact CD1-CE1 4.25Å; Y66-F87 WeakPolarHBondContact O-CA 3.43Å; Y66-D88 PolarHBondContact O-N 3.12Å; Y66-P275 WeakPolarHBondContact CA-O 3.38Å; Y66-P275 WeakPolarHBondContact CD2-O 3.46Å; Y66-Y279 AromaticContact CD2-CD2 3.99Å; Y66-Y279 HydrophobicContact CD2-CD2 3.99Å; Y66-Y279 HydrophobicContact CD2-CG 4.36Å; Y66-V280 HydrophobicContact CE2-CG1 3.93Å
67A98.8Very high98.1Very high2 Ų233.7 Ų33.72%0.01717%0.172CC..EExtended strand (participates in β ladder)trans-75.296.2175.700000110.7F65 K69 C70 D88 P275F65-A67 PolarHBondContact O-N 2.75Å; A67-K69 HydrophobicContact CB-CG 4.38Å; A67-K69 PolarHBondContact O-N 3.26Å; A67-K69 VanDerWaalsContact O-N 3.16Å; A67-C70 VanDerWaalsContact O-CB 3.27Å; A67-C70 WeakPolarHBondContact O-CB 3.5Å; A67-C70 PolarHBondContact O-N 2.9Å; A67-D88 HydrophobicContact CB-CB 4.45Å; A67-D88 WeakPolarHBondContact CB-OD2 3.38Å; A67-P275 PolarHBondContact N-O 3.21Å
68V98.8Very high98.1Very high0 Ų027.2 Ų27.20%014%0.143CC..G310 helixtrans-55.2-39.5-170.7178.70000112.5Y66 C70 N71 D72 V77 F87 D88 E94 L97 V98Y66-V68 HydrophobicContact CD1-CG2 4.32Å; Y66-V68 PolarHBondContact O-N 2.86Å; Y66-V68 VanDerWaalsContact O-N 3.09Å; V68-C70 PolarHBondContact O-N 3.27Å; V68-N71 CarbonylContact O-C 3.53Å; V68-N71 VanDerWaalsContact O-C 3.24Å; V68-N71 PolarHBondContact O-N 2.96Å; V68-N71 VanDerWaalsContact O-N 3.17Å; V68-D72 HydrophobicContact CG1-CB 4.01Å; V68-D72 PolarHBondContact O-N 3.49Å; V68-V77 HydrophobicContact CG1-CG2 4.47Å; V68-F87 HydrophobicContact CG2-CB 4.22Å; V68-F87 HydrophobicContact CG2-CD1 3.82Å; V68-F87 HydrophobicContact CG2-CG 4.47Å; V68-D88 PolarHBondContact N-O 2.92Å; V68-D88 VanDerWaalsContact N-O 3.09Å; V68-E94 HydrophobicContact CB-CB 4.41Å; V68-E94 HydrophobicContact CB-CG 4.22Å; V68-E94 HydrophobicContact CG1-CB 4.19Å; V68-E94 HydrophobicContact CG1-CG 3.84Å; V68-L97 HydrophobicContact CG1-CD2 4.18Å; V68-V98 HydrophobicContact CG2-CG2 3.87Å
69K98.2Very high98.1Very high78 Ų7826.7 Ų26.734%0.33914%0.139SC..G310 helixtrans-51.4-20.4175.461.6-179.9175.8-79.90115.7A67 D88A67-K69 HydrophobicContact CB-CG 4.38Å; A67-K69 PolarHBondContact O-N 3.26Å; A67-K69 VanDerWaalsContact O-N 3.16Å; K69-D88 IonicContact NZ-OD1 2.83Å; K69-D88 IonicContact NZ-OD2 2.67Å; K69-D88 PolarHBondContact NZ-OD2 3.2Å
70C98.5Very high98.1Very high0 Ų026.7 Ų26.70%014%0.139CC..G310 helixtrans-72.3-42.7-179.7-175.30000112A67 V68 G276 R277 A388 Y389A67-C70 VanDerWaalsContact O-CB 3.27Å; A67-C70 WeakPolarHBondContact O-CB 3.5Å; A67-C70 PolarHBondContact O-N 2.9Å; V68-C70 PolarHBondContact O-N 3.27Å; C70-G276 VanDerWaalsContact SG-C 3.51Å; C70-R277 PolarHBondContact SG-N 3.41Å; C70-A388 VanDerWaalsContact SG-CB 3.59Å; C70-Y389 HydrophobicContact CB-CE1 4.15Å; C70-Y389 HydrophobicContact CB-CE2 4.34Å; C70-Y389 PolarHBondContact O-N 3.39Å; C70-Y389 VanDerWaalsContact SG-CE2 3.58Å
71N98.8Very high98.1Very high0 Ų023.3 Ų23.30%012%0.118CC..  trans-159.8104.3172.3-168.9-35.2000109Y66 V68 S73 V280 F284 G387Y66-N71 WeakPolarHBondContact OH-CB 3.37Å; Y66-N71 PolarHBondContact OH-N 2.97Å; Y66-N71 VanDerWaalsContact OH-N 3.13Å; Y66-N71 PolarHBondContact OH-O 3.13Å; V68-N71 CarbonylContact O-C 3.53Å; V68-N71 VanDerWaalsContact O-C 3.24Å; V68-N71 PolarHBondContact O-N 2.96Å; V68-N71 VanDerWaalsContact O-N 3.17Å; N71-S73 VanDerWaalsContact C-N 3.25Å; N71-S73 PolarHBondContact O-N 3.24Å; N71-S73 WeakPolarHBondContact OD1-CB 3.44Å; N71-S73 PolarHBondContact OD1-N 2.96Å; N71-S73 VanDerWaalsContact OD1-N 3.15Å; N71-S73 PolarHBondContact OD1-OG 3.46Å; N71-V280 HydrophobicContact CB-CG2 4.11Å; N71-F284 WeakPolarHBondContact ND2-CZ 3.36Å; N71-G387 PolarHBondContact ND2-O 2.97Å
72D98.4Very high98Very high81 Ų8121.8 Ų21.843%0.43312%0.115SC..  trans-88.412.8-174.764.3-25.4000113.3V68 K74 L97V68-D72 HydrophobicContact CG1-CB 4.01Å; V68-D72 PolarHBondContact O-N 3.49Å; D72-K74 PolarHBondContact O-N 2.96Å; D72-L97 HydrophobicContact CB-CD2 4.27Å; D72-L97 WeakPolarHBondContact O-CD2 3.5Å
73S98Very high97.9Very high16 Ų1621.9 Ų21.911%0.11212%0.116CC..  trans-52.9122.3173.4-70.50000111N71 A75 I76 V77 Y407N71-S73 VanDerWaalsContact C-N 3.25Å; N71-S73 PolarHBondContact O-N 3.24Å; N71-S73 WeakPolarHBondContact OD1-CB 3.44Å; N71-S73 PolarHBondContact OD1-N 2.96Å; N71-S73 VanDerWaalsContact OD1-N 3.15Å; N71-S73 PolarHBondContact OD1-OG 3.46Å; S73-A75 PolarHBondContact O-N 3.44Å; S73-A75 VanDerWaalsContact O-N 3.1Å; S73-I76 WeakPolarHBondContact O-CB 3.35Å; S73-I76 PolarHBondContact O-N 2.97Å; S73-V77 PolarHBondContact O-N 3.11Å; S73-Y407 WeakPolarHBondContact CB-OH 3.45Å; S73-Y407 PolarHBondContact OG-OH 3.04Å
74K96.9Very high97.8Very high112 Ų11221 Ų2149%0.48712%0.119SC..Hα-helixtrans-55.1-35.7-175.3-167.9176.2-172.4178.40113.4D72 I76 K78 L97 I101D72-K74 PolarHBondContact O-N 2.96Å; K74-I76 VanDerWaalsContact C-N 3.33Å; K74-I76 PolarHBondContact O-N 2.88Å; K74-K78 HydrophobicContact CG-CD 4.33Å; K74-K78 HydrophobicContact CG-CG 4.42Å; K74-K78 VanDerWaalsContact O-CB 3.31Å; K74-K78 WeakPolarHBondContact O-CB 3.14Å; K74-K78 VanDerWaalsContact O-CG 3.29Å; K74-K78 WeakPolarHBondContact O-CG 3.49Å; K74-K78 PolarHBondContact O-N 3.21Å; K74-L97 HydrophobicContact CG-CD1 4.27Å; K74-I101 HydrophobicContact CG-CG2 4.45Å
75A96.9Very high97.7Very high18 Ų1821 Ų2115%0.14912%0.118CC..Hα-helixtrans-62.5-37.8176.500000112.7S73 T79 Y407S73-A75 PolarHBondContact O-N 3.44Å; S73-A75 VanDerWaalsContact O-N 3.1Å; A75-T79 WeakPolarHBondContact O-CB 3.47Å; A75-T79 PolarHBondContact O-N 2.89Å; A75-T79 PolarHBondContact O-OG1 3.32Å; A75-Y407 HydrophobicContact CB-CD1 3.92Å; A75-Y407 HydrophobicContact CB-CD2 3.92Å; A75-Y407 HydrophobicContact CB-CE1 3.71Å; A75-Y407 HydrophobicContact CB-CE2 3.69Å; A75-Y407 HydrophobicContact CB-CG 4.03Å
76I98.2Very high97.7Very high0 Ų020.3 Ų20.30%012%0.116CC..Hα-helixtrans-68.6-51178.4-54.9-63.2000110L45 I48 Y66 S73 K74 K78 T79 L80 V280 F284 Y407L45-I76 HydrophobicContact CD2-CD1 3.8Å; I48-I76 HydrophobicContact CD1-CD1 3.37Å; I48-I76 HydrophobicContact CD1-CG2 4.2Å; Y66-I76 HydrophobicContact CE1-CG2 4.39Å; S73-I76 WeakPolarHBondContact O-CB 3.35Å; S73-I76 PolarHBondContact O-N 2.97Å; K74-I76 VanDerWaalsContact C-N 3.33Å; K74-I76 PolarHBondContact O-N 2.88Å; I76-K78 VanDerWaalsContact C-N 3.31Å; I76-K78 PolarHBondContact O-N 3.03Å; I76-T79 WeakPolarHBondContact O-CB 3.29Å; I76-T79 PolarHBondContact O-N 3.13Å; I76-T79 VanDerWaalsContact O-N 3.16Å; I76-L80 HydrophobicContact CG2-CD1 4.08Å; I76-L80 PolarHBondContact O-N 2.64Å; I76-V280 HydrophobicContact CG2-CG1 3.6Å; I76-F284 HydrophobicContact CD1-CE2 3.61Å; I76-F284 HydrophobicContact CD1-CZ 3.61Å; I76-F284 HydrophobicContact CG1-CE2 4.26Å; I76-F284 HydrophobicContact CG1-CZ 3.96Å; I76-Y407 HydrophobicContact CD1-CE1 4.3Å
77V98.3Very high97.7Very high0 Ų020.3 Ų20.30%012%0.116CC..Hα-helixtrans-60.8-42.1179.2-172.10000110.7V68 S73 L80 A81 F87 L97 V98 I101V68-V77 HydrophobicContact CG1-CG2 4.47Å; S73-V77 PolarHBondContact O-N 3.11Å; V77-L80 PolarHBondContact O-N 3.42Å; V77-A81 VanDerWaalsContact O-CB 3.26Å; V77-A81 WeakPolarHBondContact O-CB 3.31Å; V77-A81 PolarHBondContact O-N 2.93Å; V77-F87 HydrophobicContact CB-CE1 4.37Å; V77-F87 HydrophobicContact CG1-CD1 4.08Å; V77-F87 HydrophobicContact CG1-CE1 3.47Å; V77-F87 VanDerWaalsContact CG1-CE1 3.47Å; V77-F87 HydrophobicContact CG1-CZ 3.95Å; V77-F87 WeakPolarHBondContact O-CZ 3.48Å; V77-L97 HydrophobicContact CG2-CD2 4.03Å; V77-V98 HydrophobicContact CG1-CG2 4.02Å; V77-I101 HydrophobicContact CB-CD1 4.25Å; V77-I101 HydrophobicContact CG1-CD1 3.57Å
78K96.9Very high97.7Very high42 Ų4220.3 Ų20.318%0.18312%0.116CC..Hα-helixtrans-63.1-42174.8-79.1-176167.4-177.40113.3E8 F9 K74 I76 A81 A82 I101E8-K78 WeakPolarHBondContact O-CD 3.38Å; E8-K78 PolarHBondContact O-NZ 3.47Å; F9-K78 HydrophobicContact CE1-CB 3.56Å; F9-K78 HydrophobicContact CE1-CD 4.34Å; F9-K78 HydrophobicContact CE2-CB 4.46Å; F9-K78 HydrophobicContact CZ-CB 3.55Å; F9-K78 HydrophobicContact CZ-CD 4.3Å; F9-K78 HydrophobicContact CZ-CG 4.45Å; K74-K78 HydrophobicContact CG-CD 4.33Å; K74-K78 HydrophobicContact CG-CG 4.42Å; K74-K78 VanDerWaalsContact O-CB 3.31Å; K74-K78 WeakPolarHBondContact O-CB 3.14Å; K74-K78 VanDerWaalsContact O-CG 3.29Å; K74-K78 WeakPolarHBondContact O-CG 3.49Å; K74-K78 PolarHBondContact O-N 3.21Å; I76-K78 VanDerWaalsContact C-N 3.31Å; I76-K78 PolarHBondContact O-N 3.03Å; K78-A81 PolarHBondContact O-N 3.39Å; K78-A82 PolarHBondContact O-N 2.7Å; K78-I101 HydrophobicContact CD-CG2 4.43Å; K78-I101 HydrophobicContact CG-CB 4.18Å; K78-I101 HydrophobicContact CG-CD1 4.12Å; K78-I101 HydrophobicContact CG-CG2 3.79Å
79T97.2Very high97.7Very high1 Ų120.3 Ų20.31%0.00612%0.116CC..Hα-helixtrans-61.4-50.6177.6-59.60000110.2I48 A75 I76 A81 A82 L83 M417I48-T79 HydrophobicContact CG2-CG2 4.32Å; A75-T79 WeakPolarHBondContact O-CB 3.47Å; A75-T79 PolarHBondContact O-N 2.89Å; A75-T79 PolarHBondContact O-OG1 3.32Å; I76-T79 WeakPolarHBondContact O-CB 3.29Å; I76-T79 PolarHBondContact O-N 3.13Å; I76-T79 VanDerWaalsContact O-N 3.16Å; T79-A81 VanDerWaalsContact C-N 3.3Å; T79-A81 PolarHBondContact O-N 3.27Å; T79-A82 WeakPolarHBondContact O-CB 3.26Å; T79-A82 PolarHBondContact O-N 3.03Å; T79-L83 HydrophobicContact CG2-CD1 4.31Å; T79-L83 WeakPolarHBondContact O-CG 3.46Å; T79-L83 PolarHBondContact O-N 2.85Å; T79-L83 VanDerWaalsContact O-N 3.09Å; T79-M417 HydrophobicContact CG2-SD 3.95Å
80L98.2Very high97.8Very high0 Ų017.7 Ų17.70%011%0.108CC..Hα-helixtrans-65.3-32.8178.1-72.3166.1000113I48 Y66 I76 V77 L83 G84 A85 F87 Y279I48-L80 HydrophobicContact CG2-CD2 3.6Å; I48-L80 HydrophobicContact CG2-CG 3.89Å; Y66-L80 HydrophobicContact CD1-CD1 3.62Å; Y66-L80 HydrophobicContact CD2-CD1 3.59Å; Y66-L80 HydrophobicContact CE1-CD1 4.05Å; Y66-L80 HydrophobicContact CE2-CD1 4.03Å; Y66-L80 HydrophobicContact CG-CD1 3.37Å; I76-L80 HydrophobicContact CG2-CD1 4.08Å; I76-L80 PolarHBondContact O-N 2.64Å; V77-L80 PolarHBondContact O-N 3.42Å; L80-L83 PolarHBondContact O-N 3.29Å; L80-G84 PolarHBondContact O-N 2.98Å; L80-A85 HydrophobicContact CB-CB 4.3Å; L80-A85 HydrophobicContact CD2-CB 4.48Å; L80-A85 PolarHBondContact O-N 3.1Å; L80-A85 VanDerWaalsContact O-N 3.13Å; L80-F87 HydrophobicContact CB-CE1 4.24Å; L80-F87 HydrophobicContact CB-CZ 4.19Å; L80-Y279 HydrophobicContact CD2-CD1 3.57Å; L80-Y279 HydrophobicContact CD2-CE1 3.61Å; L80-Y279 HydrophobicContact CD2-CG 4.04Å
81A97.3Very high97.8Very high16 Ų1618.8 Ų18.813%0.13212%0.116CC..Hα-helixtrans-63.9-43.4174.700000111.5V77 K78 T79 L83 G84 F87 I101 V103 R107V77-A81 VanDerWaalsContact O-CB 3.26Å; V77-A81 WeakPolarHBondContact O-CB 3.31Å; V77-A81 PolarHBondContact O-N 2.93Å; K78-A81 PolarHBondContact O-N 3.39Å; T79-A81 VanDerWaalsContact C-N 3.3Å; T79-A81 PolarHBondContact O-N 3.27Å; A81-L83 VanDerWaalsContact C-N 3.29Å; A81-L83 PolarHBondContact O-N 3.36Å; A81-G84 PolarHBondContact O-N 2.89Å; A81-G84 VanDerWaalsContact O-N 3.13Å; A81-F87 HydrophobicContact CB-CE2 4.08Å; A81-F87 HydrophobicContact CB-CZ 3.85Å; A81-I101 HydrophobicContact CB-CD1 3.73Å; A81-V103 HydrophobicContact CB-CG2 3.56Å; A81-R107 PolarHBondContact O-NH2 3.5Å
82A95.8Very high97.8Very high13 Ų1322.8 Ų22.811%0.10713%0.134CC..Hα-helixtrans-65-31.7175.900000112.6K78 T79 G84 M417 K421K78-A82 PolarHBondContact O-N 2.7Å; T79-A82 WeakPolarHBondContact O-CB 3.26Å; T79-A82 PolarHBondContact O-N 3.03Å; A82-G84 PolarHBondContact O-N 2.89Å; A82-M417 HydrophobicContact CB-CG 4.03Å; A82-M417 HydrophobicContact CB-SD 3.98Å; A82-K421 HydrophobicContact CB-CD 4.29Å; A82-K421 WeakPolarHBondContact O-CA 3.37Å
83L96.1Very high97.8Very high4 Ų423.5 Ų23.52%0.02114%0.141CC..THydrogen-bonded Turntrans-77.3-4.9174.3-63.3173.8000114L49 H52 T79 L80 A81 M417 I420L49-L83 HydrophobicContact CB-CD1 4.46Å; L49-L83 HydrophobicContact CD1-CD1 4.36Å; L49-L83 HydrophobicContact CD1-CD2 3.45Å; L49-L83 VanDerWaalsContact CD1-CD2 3.45Å; H52-L83 HydrophobicContact CB-CD1 3.98Å; H52-L83 PolarHBondContact NE2-O 2.77Å; T79-L83 HydrophobicContact CG2-CD1 4.31Å; T79-L83 WeakPolarHBondContact O-CG 3.46Å; T79-L83 PolarHBondContact O-N 2.85Å; T79-L83 VanDerWaalsContact O-N 3.09Å; L80-L83 PolarHBondContact O-N 3.29Å; A81-L83 VanDerWaalsContact C-N 3.29Å; A81-L83 PolarHBondContact O-N 3.36Å; L83-M417 HydrophobicContact CD2-CB 4.16Å; L83-M417 HydrophobicContact CD2-CG 3.8Å; L83-M417 HydrophobicContact CG-CG 4.32Å; L83-I420 HydrophobicContact CD2-CD1 3.89Å; L83-I420 HydrophobicContact CD2-CG2 4.39Å
84G96.3Very high97.8Very high42 Ų4224.1 Ų24.143%0.43314%0.142SC..THydrogen-bonded Turntrans87.55.6176.800000115.4L80 A81 A82L80-G84 PolarHBondContact O-N 2.98Å; A81-G84 PolarHBondContact O-N 2.89Å; A81-G84 VanDerWaalsContact O-N 3.13Å; A82-G84 PolarHBondContact O-N 2.89Å
85A97.5Very high97.9Very high1 Ų118.8 Ų18.81%0.00812%0.119CC..  trans-62.9150.3178.300000112.7L80 F87 R107L80-A85 HydrophobicContact CB-CB 4.3Å; L80-A85 HydrophobicContact CD2-CB 4.48Å; L80-A85 PolarHBondContact O-N 3.1Å; L80-A85 VanDerWaalsContact O-N 3.13Å; A85-F87 WeakPolarHBondContact O-CE2 3.45Å; A85-R107 VanDerWaalsContact O-CZ 3.26Å; A85-R107 PolarHBondContact O-NE 3.28Å; A85-R107 PolarHBondContact O-NH2 3.42Å
86G98.7Very high98Very high1 Ų122 Ų221%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-75.6-179.7164.100000111.6P64 F65 Y66 R107P64-G86 PolarHBondContact O-N 2.82Å; F65-G86 CarbonylContact C-O 3.1Å; F65-G86 VanDerWaalsContact CA-C 3.46Å; F65-G86 WeakPolarHBondContact CA-O 3.29Å; Y66-G86 PolarHBondContact N-O 3.46Å; G86-R107 CarbonylContact C-O 3.59Å; G86-R107 VanDerWaalsContact CA-O 3.29Å; G86-R107 WeakPolarHBondContact CA-O 3.46Å
87F98.9Very high98Very high0 Ų023.6 Ų23.60%014%0.139CC..EExtended strand (participates in β ladder)trans-137.5122.7177.8-64.7-86.6000111.7Y66 V68 V77 L80 A81 A85 V98 V103 R107 I108 I109Y66-F87 HydrophobicContact CD1-CD1 4.2Å; Y66-F87 HydrophobicContact CD1-CE1 4.25Å; Y66-F87 WeakPolarHBondContact O-CA 3.43Å; V68-F87 HydrophobicContact CG2-CB 4.22Å; V68-F87 HydrophobicContact CG2-CD1 3.82Å; V68-F87 HydrophobicContact CG2-CG 4.47Å; V77-F87 HydrophobicContact CB-CE1 4.37Å; V77-F87 HydrophobicContact CG1-CD1 4.08Å; V77-F87 HydrophobicContact CG1-CE1 3.47Å; V77-F87 VanDerWaalsContact CG1-CE1 3.47Å; V77-F87 HydrophobicContact CG1-CZ 3.95Å; V77-F87 WeakPolarHBondContact O-CZ 3.48Å; L80-F87 HydrophobicContact CB-CE1 4.24Å; L80-F87 HydrophobicContact CB-CZ 4.19Å; A81-F87 HydrophobicContact CB-CE2 4.08Å; A81-F87 HydrophobicContact CB-CZ 3.85Å; A85-F87 WeakPolarHBondContact O-CE2 3.45Å; F87-V98 HydrophobicContact CB-CG1 3.99Å; F87-V98 HydrophobicContact CB-CG2 3.94Å; F87-V98 HydrophobicContact CD1-CG2 3.92Å; F87-V98 HydrophobicContact CD2-CG1 3.6Å; F87-V98 HydrophobicContact CD2-CG2 4.44Å; F87-V98 HydrophobicContact CE2-CG1 4.22Å; F87-V98 HydrophobicContact CG-CB 4.5Å; F87-V98 HydrophobicContact CG-CG1 3.76Å; F87-V98 HydrophobicContact CG-CG2 3.82Å; F87-V103 HydrophobicContact CD2-CG1 3.8Å; F87-V103 HydrophobicContact CD2-CG2 4.23Å; F87-V103 HydrophobicContact CE2-CB 4.38Å; F87-V103 HydrophobicContact CE2-CG1 3.95Å; F87-V103 HydrophobicContact CE2-CG2 3.62Å; F87-V103 HydrophobicContact CZ-CG2 4.38Å; F87-R107 PolarHBondContact N-O 2.96Å; F87-I108 WeakPolarHBondContact O-CA 3.45Å; F87-I109 PolarHBondContact O-N 3.39Å
88D98.8Very high98Very high1 Ų123.6 Ų23.61%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-82.6113163.2155.530.5000108.2Y66 A67 V68 K69 I109 A111 E274Y66-D88 PolarHBondContact O-N 3.12Å; A67-D88 HydrophobicContact CB-CB 4.45Å; A67-D88 WeakPolarHBondContact CB-OD2 3.38Å; V68-D88 PolarHBondContact N-O 2.92Å; V68-D88 VanDerWaalsContact N-O 3.09Å; K69-D88 IonicContact NZ-OD1 2.83Å; K69-D88 IonicContact NZ-OD2 2.67Å; K69-D88 PolarHBondContact NZ-OD2 3.2Å; D88-I109 WeakPolarHBondContact CA-O 3.26Å; D88-I109 HydrophobicContact CB-CG2 3.97Å; D88-A111 VanDerWaalsContact OD1-CB 3.31Å; D88-A111 WeakPolarHBondContact OD1-CB 3.49Å; D88-E274 HydrophobicContact CB-CB 4.32Å; D88-E274 HydrophobicContact CB-CG 4.12Å
89C98.9Very high98.1Very high0 Ų024.1 Ų24.10%014%0.142CC..EExtended strand (participates in β ladder)trans-108.2137.9175.1-64.90000110.6E94 I95 I108 I109 Y110 A111C89-E94 WeakPolarHBondContact CA-OE2 3.44Å; C89-E94 HydrophobicContact CB-CB 3.93Å; C89-I95 HydrophobicContact CB-CG1 3.74Å; C89-I108 HydrophobicContact CB-CG2 4.22Å; C89-I109 PolarHBondContact N-O 2.95Å; C89-Y110 CarbonylContact O-C 3.59Å; C89-Y110 WeakPolarHBondContact O-CA 3.26Å; C89-Y110 WeakPolarHBondContact O-CD2 3.47Å; C89-A111 PolarHBondContact O-N 3.09Å; C89-A111 VanDerWaalsContact O-N 3.14Å
90A98.5Very high98.1Very high23 Ų2327.8 Ų27.819%0.1917%0.168CC..  trans-106.9-6179.800000114.1E94 Y110 N112A90-E94 PolarHBondContact N-OE2 3.15Å; A90-Y110 WeakPolarHBondContact O-CE2 3.18Å; A90-N112 HydrophobicContact CB-CB 4.44Å; A90-N112 PolarHBondContact O-ND2 2.97Å; A90-N112 VanDerWaalsContact O-ND2 3.09Å
91S98.8Very high97.9Very high23 Ų2329.6 Ų29.616%0.16118%0.177CC..SBendtrans-153.2164.4-174.668.20000113.4T93 E94 I95S91-T93 VanDerWaalsContact C-N 3.26Å; S91-T93 PolarHBondContact O-N 2.85Å; S91-T93 PolarHBondContact OG-OG1 2.95Å; S91-E94 PolarHBondContact O-N 2.95Å; S91-E94 WeakPolarHBondContact OG-CG 3.47Å; S91-E94 PolarHBondContact OG-N 3.14Å; S91-I95 WeakPolarHBondContact O-CG1 3.46Å; S91-I95 PolarHBondContact O-N 3.2Å; S91-I95 VanDerWaalsContact O-N 3.12Å
92K98.7Very high97.9Very high85 Ų8531.9 Ų31.937%0.3720%0.202SC..Hα-helixtrans-51.5-43.7170.8168.3174.4-179.5-167.90112.6I95 Q96 Q119 H122K92-I95 PolarHBondContact O-N 3.48Å; K92-Q96 HydrophobicContact CG-CG 4.39Å; K92-Q96 VanDerWaalsContact O-CG 3.28Å; K92-Q96 WeakPolarHBondContact O-CG 3.47Å; K92-Q96 PolarHBondContact O-N 3.25Å; K92-Q119 HydrophobicContact CB-CB 4.5Å; K92-Q119 HydrophobicContact CB-CG 4.04Å; K92-H122 HydrophobicContact CD-CB 4.39Å
93T98.8Very high97.9Very high96 Ų9631.6 Ų31.659%0.58920%0.199SC*.Hα-helixtrans-68.3-36.3-175.442.30000112.1S91 Q96 L97S91-T93 VanDerWaalsContact C-N 3.26Å; S91-T93 PolarHBondContact O-N 2.85Å; S91-T93 PolarHBondContact OG-OG1 2.95Å; T93-Q96 PolarHBondContact O-N 2.94Å; T93-L97 WeakPolarHBondContact O-CB 3.49Å; T93-L97 PolarHBondContact O-N 3.32Å
94E98.9Very high98Very high28 Ų2833.4 Ų33.413%0.13121%0.212CC..Hα-helixtrans-68.3-43.1174.3-69.5172.9-152.100111.7V68 C89 A90 S91 Q96 L97 V98V68-E94 HydrophobicContact CB-CB 4.41Å; V68-E94 HydrophobicContact CB-CG 4.22Å; V68-E94 HydrophobicContact CG1-CB 4.19Å; V68-E94 HydrophobicContact CG1-CG 3.84Å; C89-E94 WeakPolarHBondContact CA-OE2 3.44Å; C89-E94 HydrophobicContact CB-CB 3.93Å; A90-E94 PolarHBondContact N-OE2 3.15Å; S91-E94 PolarHBondContact O-N 2.95Å; S91-E94 WeakPolarHBondContact OG-CG 3.47Å; S91-E94 PolarHBondContact OG-N 3.14Å; E94-Q96 VanDerWaalsContact C-N 3.28Å; E94-Q96 PolarHBondContact O-N 3.39Å; E94-L97 WeakPolarHBondContact O-CB 3.32Å; E94-L97 PolarHBondContact O-N 3Å; E94-L97 VanDerWaalsContact O-N 3.17Å; E94-V98 WeakPolarHBondContact O-CG2 3.49Å; E94-V98 PolarHBondContact O-N 3.33Å
95I98.9Very high98.1Very high0 Ų033.2 Ų33.20%020%0.202CC..Hα-helixtrans-57-45.6173.3-66.8169.5000110.1C89 S91 K92 V98 Q99 I108 Y110 A123 V128C89-I95 HydrophobicContact CB-CG1 3.74Å; S91-I95 WeakPolarHBondContact O-CG1 3.46Å; S91-I95 PolarHBondContact O-N 3.2Å; S91-I95 VanDerWaalsContact O-N 3.12Å; K92-I95 PolarHBondContact O-N 3.48Å; I95-V98 PolarHBondContact O-N 3.1Å; I95-Q99 HydrophobicContact CG2-CG 4.32Å; I95-Q99 WeakPolarHBondContact O-CB 3.5Å; I95-Q99 VanDerWaalsContact O-CG 3.32Å; I95-Q99 WeakPolarHBondContact O-CG 3.28Å; I95-Q99 PolarHBondContact O-N 3.14Å; I95-I108 HydrophobicContact CG1-CG2 4.48Å; I95-Y110 HydrophobicContact CD1-CD1 3.8Å; I95-Y110 HydrophobicContact CD1-CE1 4.01Å; I95-Y110 HydrophobicContact CD1-CG 4.11Å; I95-A123 HydrophobicContact CD1-CB 4.28Å; I95-V128 HydrophobicContact CG2-CG2 3.94Å
96Q98.7Very high98.2Very high85 Ų8539.4 Ų39.440%0.39723%0.231SC..Hα-helixtrans-63.1-41.9177.7-73178.3-49.900112.2K92 T93 E94 S100K92-Q96 HydrophobicContact CG-CG 4.39Å; K92-Q96 VanDerWaalsContact O-CG 3.28Å; K92-Q96 WeakPolarHBondContact O-CG 3.47Å; K92-Q96 PolarHBondContact O-N 3.25Å; T93-Q96 PolarHBondContact O-N 2.94Å; E94-Q96 VanDerWaalsContact C-N 3.28Å; E94-Q96 PolarHBondContact O-N 3.39Å; Q96-S100 WeakPolarHBondContact O-CB 3.34Å; Q96-S100 PolarHBondContact O-N 3.15Å; Q96-S100 PolarHBondContact O-OG 2.71Å
97L98.3Very high98.2Very high35 Ų3542.4 Ų42.418%0.18324%0.242CC..Hα-helixtrans-58.7-52.6176.217361.4000110.9V68 D72 K74 V77 T93 E94 S100 I101V68-L97 HydrophobicContact CG1-CD2 4.18Å; D72-L97 HydrophobicContact CB-CD2 4.27Å; D72-L97 WeakPolarHBondContact O-CD2 3.5Å; K74-L97 HydrophobicContact CG-CD1 4.27Å; V77-L97 HydrophobicContact CG2-CD2 4.03Å; T93-L97 WeakPolarHBondContact O-CB 3.49Å; T93-L97 PolarHBondContact O-N 3.32Å; E94-L97 WeakPolarHBondContact O-CB 3.32Å; E94-L97 PolarHBondContact O-N 3Å; E94-L97 VanDerWaalsContact O-N 3.17Å; L97-S100 PolarHBondContact O-N 3.15Å; L97-S100 PolarHBondContact O-OG 2.92Å; L97-I101 PolarHBondContact O-N 3.42Å
98V98.6Very high98.2Very high0 Ų042.4 Ų42.40%024%0.242CC..Hα-helixtrans-63.6-43.7-178.2173.20000111.3V68 V77 F87 E94 I95 S100 I101 V103 I108V68-V98 HydrophobicContact CG2-CG2 3.87Å; V77-V98 HydrophobicContact CG1-CG2 4.02Å; F87-V98 HydrophobicContact CB-CG1 3.99Å; F87-V98 HydrophobicContact CB-CG2 3.94Å; F87-V98 HydrophobicContact CD1-CG2 3.92Å; F87-V98 HydrophobicContact CD2-CG1 3.6Å; F87-V98 HydrophobicContact CD2-CG2 4.44Å; F87-V98 HydrophobicContact CE2-CG1 4.22Å; F87-V98 HydrophobicContact CG-CB 4.5Å; F87-V98 HydrophobicContact CG-CG1 3.76Å; F87-V98 HydrophobicContact CG-CG2 3.82Å; E94-V98 WeakPolarHBondContact O-CG2 3.49Å; E94-V98 PolarHBondContact O-N 3.33Å; I95-V98 PolarHBondContact O-N 3.1Å; V98-S100 PolarHBondContact O-N 3.06Å; V98-I101 WeakPolarHBondContact O-CG1 3.49Å; V98-I101 PolarHBondContact O-N 3.45Å; V98-V103 HydrophobicContact CG1-CB 3.55Å; V98-V103 HydrophobicContact CG1-CG1 3.61Å; V98-V103 HydrophobicContact CG1-CG2 4Å; V98-V103 WeakPolarHBondContact O-CB 3.42Å; V98-V103 PolarHBondContact O-N 3.14Å; V98-I108 HydrophobicContact CB-CD1 4.27Å; V98-I108 HydrophobicContact CG1-CD1 3.74Å; V98-I108 HydrophobicContact CG1-CG1 3.86Å
99Q98.3Very high98.2Very high52 Ų5242.4 Ų42.424%0.24324%0.242CC..Hα-helixtrans-68.5-33.2176-70.2-173.8-32.400112.8I95 I101 G102 I108 S126I95-Q99 HydrophobicContact CG2-CG 4.32Å; I95-Q99 WeakPolarHBondContact O-CB 3.5Å; I95-Q99 VanDerWaalsContact O-CG 3.32Å; I95-Q99 WeakPolarHBondContact O-CG 3.28Å; I95-Q99 PolarHBondContact O-N 3.14Å; Q99-I101 PolarHBondContact O-N 3.49Å; Q99-I101 VanDerWaalsContact O-N 3.15Å; Q99-G102 PolarHBondContact O-N 2.9Å; Q99-I108 HydrophobicContact CG-CD1 3.83Å; Q99-S126 PolarHBondContact NE2-O 2.57Å
100S97.3Very high98.2Very high79 Ų7942.4 Ų42.455%0.55224%0.242SC*.Hα-helixtrans-64.5-18.7180760000113.9Q96 L97 V98Q96-S100 WeakPolarHBondContact O-CB 3.34Å; Q96-S100 PolarHBondContact O-N 3.15Å; Q96-S100 PolarHBondContact O-OG 2.71Å; L97-S100 PolarHBondContact O-N 3.15Å; L97-S100 PolarHBondContact O-OG 2.92Å; V98-S100 PolarHBondContact O-N 3.06Å
101I94.8Very high98.2Very high37 Ų3741.7 Ų41.719%0.1924%0.236CC..THydrogen-bonded Turntrans-100.912.4175.963.9161.5000112.5K74 V77 K78 A81 L97 V98 Q99 V103K74-I101 HydrophobicContact CG-CG2 4.45Å; V77-I101 HydrophobicContact CB-CD1 4.25Å; V77-I101 HydrophobicContact CG1-CD1 3.57Å; K78-I101 HydrophobicContact CD-CG2 4.43Å; K78-I101 HydrophobicContact CG-CB 4.18Å; K78-I101 HydrophobicContact CG-CD1 4.12Å; K78-I101 HydrophobicContact CG-CG2 3.79Å; A81-I101 HydrophobicContact CB-CD1 3.73Å; L97-I101 PolarHBondContact O-N 3.42Å; V98-I101 WeakPolarHBondContact O-CG1 3.49Å; V98-I101 PolarHBondContact O-N 3.45Å; Q99-I101 PolarHBondContact O-N 3.49Å; Q99-I101 VanDerWaalsContact O-N 3.15Å; I101-V103 HydrophobicContact CD1-CG2 4.1Å; I101-V103 HydrophobicContact CG1-CG2 4.08Å
102G95.6Very high98.2Very high64 Ų6442.5 Ų42.566%0.6624%0.239SC*.THydrogen-bonded Turntrans86.110.5172.200000115.7Q99Q99-G102 PolarHBondContact O-N 2.9Å
103V97.8Very high98.1Very high7 Ų738.5 Ų38.54%0.04222%0.222CC..  trans-72.4129.5175.7174.90000109.6A81 F87 V98 I101 R107A81-V103 HydrophobicContact CB-CG2 3.56Å; F87-V103 HydrophobicContact CD2-CG1 3.8Å; F87-V103 HydrophobicContact CD2-CG2 4.23Å; F87-V103 HydrophobicContact CE2-CB 4.38Å; F87-V103 HydrophobicContact CE2-CG1 3.95Å; F87-V103 HydrophobicContact CE2-CG2 3.62Å; F87-V103 HydrophobicContact CZ-CG2 4.38Å; V98-V103 HydrophobicContact CG1-CB 3.55Å; V98-V103 HydrophobicContact CG1-CG1 3.61Å; V98-V103 HydrophobicContact CG1-CG2 4Å; V98-V103 WeakPolarHBondContact O-CB 3.42Å; V98-V103 PolarHBondContact O-N 3.14Å; I101-V103 HydrophobicContact CD1-CG2 4.1Å; I101-V103 HydrophobicContact CG1-CG2 4.08Å; V103-R107 HydrophobicContact CG1-CB 3.77Å
104P98Very high98.1Very high43 Ų4337 Ų3728%0.27921%0.214SC..  trans-79.2153.9-17637.4-40.6000111.6E106 R107P104-E106 VanDerWaalsContact C-N 3.25Å; P104-E106 VanDerWaalsContact CB-CD 3.48Å; P104-E106 VanDerWaalsContact CB-OE1 3.24Å; P104-E106 WeakPolarHBondContact CB-OE1 3.15Å; P104-E106 WeakPolarHBondContact CB-OE2 3.39Å; P104-E106 HydrophobicContact CG-CG 4.35Å; P104-E106 VanDerWaalsContact CG-OE1 3.24Å; P104-E106 WeakPolarHBondContact CG-OE1 3.23Å; P104-E106 PolarHBondContact O-N 2.9Å; P104-E106 VanDerWaalsContact O-N 3.14Å; P104-R107 PolarHBondContact O-N 3.29Å
105P98.4Very high98.1Very high37 Ų3735.8 Ų35.824%0.2421%0.209CC..G310 helixtrans-60.5-26.1-171.1-23.233.2000115.6R107 I108 G127 V128P105-R107 PolarHBondContact O-N 2.8Å; P105-I108 WeakPolarHBondContact O-CB 3.31Å; P105-I108 PolarHBondContact O-N 2.76Å; P105-G127 WeakPolarHBondContact CB-O 3.33Å; P105-V128 HydrophobicContact CB-CG2 4.23Å
106E98.1Very high98.1Very high132 Ų13241.6 Ų41.662%0.61724%0.236SC*.G310 helixtrans-66.8-20.9176.863.5-86.6-16300113.6P104 I108P104-E106 VanDerWaalsContact C-N 3.25Å; P104-E106 VanDerWaalsContact CB-CD 3.48Å; P104-E106 VanDerWaalsContact CB-OE1 3.24Å; P104-E106 WeakPolarHBondContact CB-OE1 3.15Å; P104-E106 WeakPolarHBondContact CB-OE2 3.39Å; P104-E106 HydrophobicContact CG-CG 4.35Å; P104-E106 VanDerWaalsContact CG-OE1 3.24Å; P104-E106 WeakPolarHBondContact CG-OE1 3.23Å; P104-E106 PolarHBondContact O-N 2.9Å; P104-E106 VanDerWaalsContact O-N 3.14Å; E106-I108 VanDerWaalsContact C-N 3.27Å
107R98.6Very high98.1Very high64 Ų6440.2 Ų40.224%0.24223%0.23CC..G310 helixtrans-89.612172.2-79.3173.859.3-173.2-0.8112.4F65 A81 A85 G86 F87 V103 P104 P105F65-R107 WeakPolarHBondContact CE1-O 3.37Å; A81-R107 PolarHBondContact O-NH2 3.5Å; A85-R107 VanDerWaalsContact O-CZ 3.26Å; A85-R107 PolarHBondContact O-NE 3.28Å; A85-R107 PolarHBondContact O-NH2 3.42Å; G86-R107 CarbonylContact C-O 3.59Å; G86-R107 VanDerWaalsContact CA-O 3.29Å; G86-R107 WeakPolarHBondContact CA-O 3.46Å; F87-R107 PolarHBondContact N-O 2.96Å; V103-R107 HydrophobicContact CG1-CB 3.77Å; P104-R107 PolarHBondContact O-N 3.29Å; P105-R107 PolarHBondContact O-N 2.8Å
108I98.9Very high98.1Very high0 Ų041.6 Ų41.60%024%0.243CC..EExtended strand (participates in β ladder)trans-117.4126.9177.6-58.1175.6000109.8F87 C89 I95 V98 Q99 P105 E106 V128F87-I108 WeakPolarHBondContact O-CA 3.45Å; C89-I108 HydrophobicContact CB-CG2 4.22Å; I95-I108 HydrophobicContact CG1-CG2 4.48Å; V98-I108 HydrophobicContact CB-CD1 4.27Å; V98-I108 HydrophobicContact CG1-CD1 3.74Å; V98-I108 HydrophobicContact CG1-CG1 3.86Å; Q99-I108 HydrophobicContact CG-CD1 3.83Å; P105-I108 WeakPolarHBondContact O-CB 3.31Å; P105-I108 PolarHBondContact O-N 2.76Å; E106-I108 VanDerWaalsContact C-N 3.27Å; I108-V128 HydrophobicContact CB-CG1 4.29Å; I108-V128 HydrophobicContact CB-CG2 4.37Å; I108-V128 HydrophobicContact CD1-CG2 4.19Å; I108-V128 HydrophobicContact CG2-CG1 3.86Å; I108-V128 HydrophobicContact CG2-CG2 4.24Å
109I98.9Very high98.2Very high0 Ų043.7 Ų43.70%025%0.253CS..EExtended strand (participates in β ladder)trans-106.9126.4161.4-171.9169.9000108.7F65 F87 D88 C89 A111 M130 T132 V152 I272F65-I109 HydrophobicContact CB-CG2 4.3Å; F65-I109 HydrophobicContact CD1-CB 4.24Å; F65-I109 HydrophobicContact CD1-CG2 3.73Å; F65-I109 HydrophobicContact CE1-CG2 4.46Å; F65-I109 HydrophobicContact CG-CG2 4.27Å; F87-I109 PolarHBondContact O-N 3.39Å; D88-I109 WeakPolarHBondContact CA-O 3.26Å; D88-I109 HydrophobicContact CB-CG2 3.97Å; C89-I109 PolarHBondContact N-O 2.95Å; I109-A111 HydrophobicContact CG1-CB 4.24Å; I109-A111 HydrophobicContact CG2-CB 4.35Å; I109-A111 PolarHBondContact O-N 3.22Å; I109-M130 HydrophobicContact CG1-CB 4.2Å; I109-T132 HydrophobicContact CD1-CG2 4.43Å; I109-V152 HydrophobicContact CD1-CG2 4.4Å; I109-I272 HydrophobicContact CD1-CD1 3.91Å
110Y98.9Very high98.2Very high0 Ų041.2 Ų41.20%024%0.241CC..EExtended strand (participates in β ladder)trans-87.179.2173.4-169.5175.9000109.2C89 A90 I95 N112 K115 Q119 A123 M130 M131 T132C89-Y110 CarbonylContact O-C 3.59Å; C89-Y110 WeakPolarHBondContact O-CA 3.26Å; C89-Y110 WeakPolarHBondContact O-CD2 3.47Å; A90-Y110 WeakPolarHBondContact O-CE2 3.18Å; I95-Y110 HydrophobicContact CD1-CD1 3.8Å; I95-Y110 HydrophobicContact CD1-CE1 4.01Å; I95-Y110 HydrophobicContact CD1-CG 4.11Å; Y110-N112 VanDerWaalsContact C-N 3.26Å; Y110-N112 HydrophobicContact CD2-CB 4.09Å; Y110-N112 HydrophobicContact CE2-CB 3.73Å; Y110-N112 PolarHBondContact O-N 3.48Å; Y110-N112 VanDerWaalsContact O-N 3.15Å; Y110-K115 HydrophobicContact CD1-CD 3.77Å; Y110-K115 HydrophobicContact CD2-CD 4.02Å; Y110-K115 HydrophobicContact CD2-CG 4.46Å; Y110-K115 HydrophobicContact CE1-CD 3.66Å; Y110-K115 HydrophobicContact CE1-CG 4.09Å; Y110-K115 HydrophobicContact CE2-CD 3.89Å; Y110-K115 HydrophobicContact CE2-CG 3.88Å; Y110-K115 HydrophobicContact CG-CD 3.99Å; Y110-Q119 WeakPolarHBondContact OH-CB 3.46Å; Y110-Q119 PolarHBondContact OH-OE1 2.99Å; Y110-Q119 VanDerWaalsContact OH-OE1 3.14Å; Y110-A123 HydrophobicContact CD1-CB 3.78Å; Y110-A123 HydrophobicContact CE1-CB 4.16Å; Y110-M130 PolarHBondContact N-O 3.41Å; Y110-M131 HydrophobicContact CD1-CG 4.4Å; Y110-M131 HydrophobicContact CD1-SD 4.06Å; Y110-M131 WeakPolarHBondContact O-CA 3.17Å; Y110-T132 PolarHBondContact O-N 2.95Å; Y110-T132 VanDerWaalsContact O-N 3.15Å
111A98.4Very high98.3Very high8 Ų843.3 Ų43.37%0.06624%0.24CC..  trans-88.231.3-168.400000115.5D88 C89 I109 P113 T132 E274D88-A111 VanDerWaalsContact OD1-CB 3.31Å; D88-A111 WeakPolarHBondContact OD1-CB 3.49Å; C89-A111 PolarHBondContact O-N 3.09Å; C89-A111 VanDerWaalsContact O-N 3.14Å; I109-A111 HydrophobicContact CG1-CB 4.24Å; I109-A111 HydrophobicContact CG2-CB 4.35Å; I109-A111 PolarHBondContact O-N 3.22Å; A111-P113 WeakPolarHBondContact O-CD 3Å; A111-T132 VanDerWaalsContact CA-OG1 3.26Å; A111-T132 WeakPolarHBondContact CA-OG1 3.42Å; A111-T132 HydrophobicContact CB-CG2 3.82Å; A111-T132 PolarHBondContact O-OG1 3.27Å; A111-E274 WeakPolarHBondContact CB-OE1 3.49Å
112N98.7Very high98.4Very high40 Ų4043 Ų4321%0.21424%0.238CC..  trans-91116.6166-177.8-11.1000109.9A90 Y110 C114 K115 T132A90-N112 HydrophobicContact CB-CB 4.44Å; A90-N112 PolarHBondContact O-ND2 2.97Å; A90-N112 VanDerWaalsContact O-ND2 3.09Å; Y110-N112 VanDerWaalsContact C-N 3.26Å; Y110-N112 HydrophobicContact CD2-CB 4.09Å; Y110-N112 HydrophobicContact CE2-CB 3.73Å; Y110-N112 PolarHBondContact O-N 3.48Å; Y110-N112 VanDerWaalsContact O-N 3.15Å; N112-C114 VanDerWaalsContact C-N 3.27Å; N112-C114 PolarHBondContact O-N 2.93Å; N112-C114 PolarHBondContact OD1-N 2.64Å; N112-C114 PolarHBondContact OD1-O 2.62Å; N112-K115 HydrophobicContact CB-CG 4.03Å; N112-K115 VanDerWaalsContact O-CD 3.26Å; N112-K115 WeakPolarHBondContact O-CD 3.47Å; N112-K115 WeakPolarHBondContact O-CG 3.36Å; N112-K115 PolarHBondContact O-NZ 2.77Å; N112-T132 VanDerWaalsContact C-OG1 3.28Å; N112-T132 PolarHBondContact N-OG1 2.97Å
113P98.4Very high98.6Very high2 Ų240 Ų401%0.01321%0.207CC..SBendtrans-67.1-24.6-178.6-21.934.5000113.9A111 K115 D134 E138 F170A111-P113 WeakPolarHBondContact O-CD 3Å; P113-K115 PolarHBondContact O-NZ 3.37Å; P113-D134 HydrophobicContact CB-CB 4.46Å; P113-D134 WeakPolarHBondContact CB-OD2 3.36Å; P113-E138 WeakPolarHBondContact O-CG 3.49Å; P113-F170 HydrophobicContact CB-CD1 4.06Å; P113-F170 HydrophobicContact CB-CE1 4.45Å; P113-F170 HydrophobicContact CG-CB 4.46Å; P113-F170 HydrophobicContact CG-CD1 3.81Å; P113-F170 HydrophobicContact CG-CE1 4.26Å; P113-F170 HydrophobicContact CG-CG 4.23Å
114C98.6Very high98.6Very high64 Ų6441.1 Ų41.143%0.43222%0.217SC..SBendtrans-123.283.5-170.6-68.70000111.6N112 F170N112-C114 VanDerWaalsContact C-N 3.27Å; N112-C114 PolarHBondContact O-N 2.93Å; N112-C114 PolarHBondContact OD1-N 2.64Å; N112-C114 PolarHBondContact OD1-O 2.62Å; C114-F170 HydrophobicContact CB-CE1 4.46Å
115K98.8Very high98.7Very high3 Ų343.6 Ų43.61%0.01324%0.236CC..  trans-99.4141.6-166.9-65.3162.3-66.1-56.60113.1Y110 N112 P113 I117 I120 M131 T132 E138 K141Y110-K115 HydrophobicContact CD1-CD 3.77Å; Y110-K115 HydrophobicContact CD2-CD 4.02Å; Y110-K115 HydrophobicContact CD2-CG 4.46Å; Y110-K115 HydrophobicContact CE1-CD 3.66Å; Y110-K115 HydrophobicContact CE1-CG 4.09Å; Y110-K115 HydrophobicContact CE2-CD 3.89Å; Y110-K115 HydrophobicContact CE2-CG 3.88Å; Y110-K115 HydrophobicContact CG-CD 3.99Å; N112-K115 HydrophobicContact CB-CG 4.03Å; N112-K115 VanDerWaalsContact O-CD 3.26Å; N112-K115 WeakPolarHBondContact O-CD 3.47Å; N112-K115 WeakPolarHBondContact O-CG 3.36Å; N112-K115 PolarHBondContact O-NZ 2.77Å; P113-K115 PolarHBondContact O-NZ 3.37Å; K115-I117 PolarHBondContact O-N 3.23Å; K115-I120 HydrophobicContact CB-CD1 3.95Å; K115-I120 HydrophobicContact CB-CG1 3.58Å; K115-I120 HydrophobicContact CD-CG1 4.29Å; K115-M131 HydrophobicContact CD-SD 4.19Å; K115-T132 PolarHBondContact NZ-O 3.1Å; K115-E138 WeakPolarHBondContact CB-OE1 3.42Å; K115-E138 VanDerWaalsContact CE-OE1 3.26Å; K115-E138 WeakPolarHBondContact CE-OE1 3.37Å; K115-E138 PolarHBondContact N-OE1 3.06Å; K115-E138 IonicContact NZ-OE1 3.29Å; K115-E138 PolarHBondContact NZ-OE1 3.28Å; K115-K141 WeakPolarHBondContact O-CE 3.31Å; K115-K141 PolarHBondContact O-NZ 3.09Å
116Q98.8Very high98.6Very high121 Ų12143.2 Ų43.257%0.56523%0.233SC*.  trans-65.1136.8169.4-170.1-175.91.800110.2S118 Q119 I120Q116-S118 VanDerWaalsContact C-N 3.25Å; Q116-S118 WeakPolarHBondContact CG-OG 3.45Å; Q116-S118 PolarHBondContact NE2-OG 3.46Å; Q116-S118 PolarHBondContact O-N 3.29Å; Q116-Q119 HydrophobicContact CB-CG 4.18Å; Q116-Q119 WeakPolarHBondContact O-CA 3.25Å; Q116-Q119 WeakPolarHBondContact O-CB 3.37Å; Q116-Q119 PolarHBondContact O-N 3.26Å; Q116-I120 PolarHBondContact O-N 2.98Å
117I98.8Very high98.6Very high56 Ų5638.5 Ų38.529%0.28722%0.221SC..Hα-helixtrans-55.9-38.2-175.6-68147.7000112.6K115 Q119 I120 K121 K141 A145K115-I117 PolarHBondContact O-N 3.23Å; I117-Q119 VanDerWaalsContact C-N 3.26Å; I117-Q119 PolarHBondContact O-N 3.31Å; I117-I120 PolarHBondContact O-N 3.48Å; I117-K121 WeakPolarHBondContact O-CG 3.38Å; I117-K121 PolarHBondContact O-N 3.46Å; I117-K141 HydrophobicContact CD1-CG 4.32Å; I117-K141 HydrophobicContact CG1-CB 4.32Å; I117-K141 HydrophobicContact CG1-CD 4.45Å; I117-K141 HydrophobicContact CG1-CG 3.97Å; I117-A145 HydrophobicContact CG2-CB 4.22Å
118S98.8Very high98.7Very high64 Ų6435.5 Ų35.545%0.44821%0.209SC..Hα-helixtrans-62.4-33.5175.950.90000112.6Q116 H122Q116-S118 VanDerWaalsContact C-N 3.25Å; Q116-S118 WeakPolarHBondContact CG-OG 3.45Å; Q116-S118 PolarHBondContact NE2-OG 3.46Å; Q116-S118 PolarHBondContact O-N 3.29Å; S118-H122 PolarHBondContact O-N 3.47Å; S118-H122 VanDerWaalsContact O-N 3.08Å
119Q98.8Very high98.6Very high44 Ų4438.7 Ų38.721%0.20622%0.224CC..Hα-helixtrans-78.2-33.7176.7-58.8-169.840.600111.8K92 Y110 Q116 I117 K121 H122 A123K92-Q119 HydrophobicContact CB-CB 4.5Å; K92-Q119 HydrophobicContact CB-CG 4.04Å; Y110-Q119 WeakPolarHBondContact OH-CB 3.46Å; Y110-Q119 PolarHBondContact OH-OE1 2.99Å; Y110-Q119 VanDerWaalsContact OH-OE1 3.14Å; Q116-Q119 HydrophobicContact CB-CG 4.18Å; Q116-Q119 WeakPolarHBondContact O-CA 3.25Å; Q116-Q119 WeakPolarHBondContact O-CB 3.37Å; Q116-Q119 PolarHBondContact O-N 3.26Å; I117-Q119 VanDerWaalsContact C-N 3.26Å; I117-Q119 PolarHBondContact O-N 3.31Å; Q119-K121 VanDerWaalsContact C-N 3.34Å; Q119-H122 WeakPolarHBondContact O-CB 3.36Å; Q119-H122 PolarHBondContact O-N 3.19Å; Q119-A123 PolarHBondContact O-N 3.26Å
120I98.9Very high98.6Very high0 Ų040.5 Ų40.50%023%0.233CC..Hα-helixtrans-59.4-46.2169.1-62173.7000110.3K115 Q116 I117 H122 A123 A124 M131 K141 A145 H146K115-I120 HydrophobicContact CB-CD1 3.95Å; K115-I120 HydrophobicContact CB-CG1 3.58Å; K115-I120 HydrophobicContact CD-CG1 4.29Å; Q116-I120 PolarHBondContact O-N 2.98Å; I117-I120 PolarHBondContact O-N 3.48Å; I120-H122 VanDerWaalsContact C-N 3.28Å; I120-H122 PolarHBondContact O-N 3.06Å; I120-A123 PolarHBondContact O-N 2.94Å; I120-A124 PolarHBondContact O-N 3.09Å; I120-M131 HydrophobicContact CG2-CE 4.11Å; I120-M131 HydrophobicContact CG2-SD 4.4Å; I120-K141 HydrophobicContact CD1-CB 3.96Å; I120-A145 HydrophobicContact CB-CB 4.27Å; I120-A145 HydrophobicContact CG2-CB 3.75Å; I120-H146 HydrophobicContact CG2-CB 3.66Å
121K98.8Very high98.6Very high123 Ų12340.5 Ų40.554%0.53523%0.233SC..Hα-helixtrans-60.8-38.2175.6-71.4-177.3177.9-1740112.2I117 Q119 A124 S125 A145I117-K121 WeakPolarHBondContact O-CG 3.38Å; I117-K121 PolarHBondContact O-N 3.46Å; Q119-K121 VanDerWaalsContact C-N 3.34Å; K121-A124 PolarHBondContact O-N 3.3Å; K121-S125 PolarHBondContact O-N 3.37Å; K121-S125 PolarHBondContact O-OG 3.04Å; K121-A145 HydrophobicContact CG-CB 3.93Å
122H98.8Very high98.7Very high32 Ų3240.2 Ų40.215%0.14823%0.23CC..Hα-helixtrans-62.9-49.1175.8-177.967.9000111.5K92 S118 Q119 I120 A124 S125 S126K92-H122 HydrophobicContact CD-CB 4.39Å; S118-H122 PolarHBondContact O-N 3.47Å; S118-H122 VanDerWaalsContact O-N 3.08Å; Q119-H122 WeakPolarHBondContact O-CB 3.36Å; Q119-H122 PolarHBondContact O-N 3.19Å; I120-H122 VanDerWaalsContact C-N 3.28Å; I120-H122 PolarHBondContact O-N 3.06Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 3.32Å; H122-S125 WeakPolarHBondContact CA-OG 3.35Å; H122-S125 PolarHBondContact O-N 3.23Å; H122-S125 VanDerWaalsContact O-N 3.13Å; H122-S125 PolarHBondContact O-OG 3.44Å; H122-S126 PolarHBondContact CE1-OG 2.97Å; H122-S126 VanDerWaalsContact CE1-OG 3.31Å; H122-S126 PolarHBondContact NE2-OG 3.16Å; H122-S126 WeakPolarHBondContact O-CB 3.44Å; H122-S126 PolarHBondContact O-N 3.36Å; H122-S126 PolarHBondContact O-OG 2.98Å; H122-S126 VanDerWaalsContact O-OG 3.09Å
123A98.8Very high98.7Very high0 Ų038.3 Ų38.30%022%0.22CC..Hα-helixtrans-55.2-45.6175.800000111.6I95 Y110 Q119 I120 S125 S126 G127 V128 M131I95-A123 HydrophobicContact CD1-CB 4.28Å; Y110-A123 HydrophobicContact CD1-CB 3.78Å; Y110-A123 HydrophobicContact CE1-CB 4.16Å; Q119-A123 PolarHBondContact O-N 3.26Å; I120-A123 PolarHBondContact O-N 2.94Å; A123-S125 PolarHBondContact O-N 3.18Å; A123-S126 CarbonylContact O-C 3.54Å; A123-S126 PolarHBondContact O-N 3.01Å; A123-G127 PolarHBondContact O-N 3.48Å; A123-G127 VanDerWaalsContact O-N 3.17Å; A123-V128 HydrophobicContact CB-CB 4.13Å; A123-V128 PolarHBondContact O-N 3.13Å; A123-M131 HydrophobicContact CB-SD 4.38Å
124A98.6Very high98.7Very high31 Ų3139 Ų3926%0.25622%0.224SC..Hα-helixtrans-59.4-46.817500000112.8I120 K121 H122 S126 G127 H146I120-A124 PolarHBondContact O-N 3.09Å; K121-A124 PolarHBondContact O-N 3.3Å; H122-A124 VanDerWaalsContact C-N 3.29Å; H122-A124 PolarHBondContact O-N 3.32Å; A124-S126 VanDerWaalsContact C-N 3.26Å; A124-S126 PolarHBondContact O-N 3.17Å; A124-G127 PolarHBondContact O-N 2.91Å; A124-H146 HydrophobicContact CB-CB 3.94Å
125S98.5Very high98.7Very high95 Ų9537.8 Ų37.866%0.66422%0.216SC*.Hα-helixtrans-67.9-26.6179.362.20000113.6K121 H122 A123K121-S125 PolarHBondContact O-N 3.37Å; K121-S125 PolarHBondContact O-OG 3.04Å; H122-S125 WeakPolarHBondContact CA-OG 3.35Å; H122-S125 PolarHBondContact O-N 3.23Å; H122-S125 VanDerWaalsContact O-N 3.13Å; H122-S125 PolarHBondContact O-OG 3.44Å; A123-S125 PolarHBondContact O-N 3.18Å
126S97.8Very high98.7Very high28 Ų2841.8 Ų41.820%0.19624%0.235CC..THydrogen-bonded Turntrans-93.96.6-179.7-580000113Q99 H122 A123 A124 V128Q99-S126 PolarHBondContact NE2-O 2.57Å; H122-S126 PolarHBondContact CE1-OG 2.97Å; H122-S126 VanDerWaalsContact CE1-OG 3.31Å; H122-S126 PolarHBondContact NE2-OG 3.16Å; H122-S126 WeakPolarHBondContact O-CB 3.44Å; H122-S126 PolarHBondContact O-N 3.36Å; H122-S126 PolarHBondContact O-OG 2.98Å; H122-S126 VanDerWaalsContact O-OG 3.09Å; A123-S126 CarbonylContact O-C 3.54Å; A123-S126 PolarHBondContact O-N 3.01Å; A124-S126 VanDerWaalsContact C-N 3.26Å; A124-S126 PolarHBondContact O-N 3.17Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 2.7Å
127G98.4Very high98.7Very high34 Ų3440.5 Ų40.535%0.35124%0.235SC..THydrogen-bonded Turntrans769.6177.500000115.5P105 A123 A124 Q129P105-G127 WeakPolarHBondContact CB-O 3.33Å; A123-G127 PolarHBondContact O-N 3.48Å; A123-G127 VanDerWaalsContact O-N 3.17Å; A124-G127 PolarHBondContact O-N 2.91Å; G127-Q129 PolarHBondContact O-N 2.97Å
128V98.8Very high98.7Very high0 Ų038 Ų380%022%0.222CC..  trans-78.3109.8176.6179.30000108.6I95 P105 I108 A123 S126 H146I95-V128 HydrophobicContact CG2-CG2 3.94Å; P105-V128 HydrophobicContact CB-CG2 4.23Å; I108-V128 HydrophobicContact CB-CG1 4.29Å; I108-V128 HydrophobicContact CB-CG2 4.37Å; I108-V128 HydrophobicContact CD1-CG2 4.19Å; I108-V128 HydrophobicContact CG2-CG1 3.86Å; I108-V128 HydrophobicContact CG2-CG2 4.24Å; A123-V128 HydrophobicContact CB-CB 4.13Å; A123-V128 PolarHBondContact O-N 3.13Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 2.7Å; V128-H146 PolarHBondContact O-NE2 2.85Å
129Q98.6Very high98.7Very high68 Ų6834.9 Ų34.932%0.31820%0.201SC..  trans-95.2-36.8-171.8-62.7-59.1106.200113.7G127 H146 K148 A149 K150G127-Q129 PolarHBondContact O-N 2.97Å; Q129-H146 PolarHBondContact OE1-CE1 2.9Å; Q129-H146 VanDerWaalsContact OE1-CE1 3.25Å; Q129-K148 PolarHBondContact NE2-O 3.09Å; Q129-K148 VanDerWaalsContact NE2-O 3.15Å; Q129-A149 WeakPolarHBondContact O-CA 3.36Å; Q129-K150 HydrophobicContact CB-CG 4.36Å; Q129-K150 PolarHBondContact O-N 2.9Å
130M98.8Very high98.7Very high38 Ų3837 Ų3719%0.18721%0.211CC..EExtended strand (participates in β ladder)trans-83.6124.1-175.6-69.3-174.1-66.700111I109 Y110 K150 L231I109-M130 HydrophobicContact CG1-CB 4.2Å; Y110-M130 PolarHBondContact N-O 3.41Å; M130-K150 WeakPolarHBondContact CA-O 3.17Å; M130-K150 HydrophobicContact CG-CB 4.22Å; M130-L231 HydrophobicContact SD-CD2 3.84Å
131M98.9Very high98.7Very high0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-142.6147.2177.1-48.2-169.3-73.500111.4Y110 K115 I120 A123 V142 H146 A149 K150 L151 V152Y110-M131 HydrophobicContact CD1-CG 4.4Å; Y110-M131 HydrophobicContact CD1-SD 4.06Å; Y110-M131 WeakPolarHBondContact O-CA 3.17Å; K115-M131 HydrophobicContact CD-SD 4.19Å; I120-M131 HydrophobicContact CG2-CE 4.11Å; I120-M131 HydrophobicContact CG2-SD 4.4Å; A123-M131 HydrophobicContact CB-SD 4.38Å; M131-V142 HydrophobicContact CE-CG1 4.25Å; M131-V142 HydrophobicContact CE-CG2 3.99Å; M131-H146 HydrophobicContact CE-CB 4.05Å; M131-A149 HydrophobicContact CE-CB 3.51Å; M131-K150 PolarHBondContact N-O 2.72Å; M131-K150 VanDerWaalsContact N-O 3.16Å; M131-L151 HydrophobicContact CB-CD2 4.27Å; M131-L151 HydrophobicContact CE-CD2 4.28Å; M131-L151 WeakPolarHBondContact O-CA 3.27Å; M131-V152 PolarHBondContact O-N 3.2Å
132T98.9Very high98.7Very high1 Ų132.9 Ų32.91%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-86.9158.4174.959.30000112.6I109 Y110 A111 N112 K115 V152I109-T132 HydrophobicContact CD1-CG2 4.43Å; Y110-T132 PolarHBondContact O-N 2.95Å; Y110-T132 VanDerWaalsContact O-N 3.15Å; A111-T132 VanDerWaalsContact CA-OG1 3.26Å; A111-T132 WeakPolarHBondContact CA-OG1 3.42Å; A111-T132 HydrophobicContact CB-CG2 3.82Å; A111-T132 PolarHBondContact O-OG1 3.27Å; N112-T132 VanDerWaalsContact C-OG1 3.28Å; N112-T132 PolarHBondContact N-OG1 2.97Å; K115-T132 PolarHBondContact NZ-O 3.1Å; T132-V152 CarbonylContact C-O 3.47Å; T132-V152 VanDerWaalsContact CA-O 3.23Å; T132-V152 WeakPolarHBondContact CA-O 3.27Å; T132-V152 HydrophobicContact CG2-CB 4.19Å
133F98.9Very high98.7Very high0 Ų032.9 Ų32.90%020%0.199CC..EExtended strand (participates in β ladder)trans-155.2159.6170.180.2-69.1000110.4E138 L139 L151 V152 L153 R154 L180 I191F133-E138 HydrophobicContact CB-CB 4.03Å; F133-E138 HydrophobicContact CB-CG 3.78Å; F133-L139 HydrophobicContact CD2-CD1 4.5Å; F133-L139 HydrophobicContact CD2-CD2 3.65Å; F133-L139 HydrophobicContact CD2-CG 3.8Å; F133-L139 HydrophobicContact CE2-CD1 3.95Å; F133-L139 HydrophobicContact CE2-CD2 3.42Å; F133-L139 VanDerWaalsContact CE2-CD2 3.42Å; F133-L139 HydrophobicContact CE2-CG 3.68Å; F133-L139 HydrophobicContact CG-CD2 4.29Å; F133-L139 HydrophobicContact CZ-CD2 3.89Å; F133-L151 HydrophobicContact CD1-CB 3.83Å; F133-L151 HydrophobicContact CD1-CD1 4.24Å; F133-L151 HydrophobicContact CD1-CD2 4.48Å; F133-L151 HydrophobicContact CD1-CG 4.42Å; F133-L151 HydrophobicContact CE1-CB 3.86Å; F133-L151 HydrophobicContact CE1-CD1 4.4Å; F133-V152 WeakPolarHBondContact CD1-O 3.25Å; F133-V152 PolarHBondContact N-O 3.18Å; F133-L153 HydrophobicContact CD2-CD1 4.44Å; F133-L153 HydrophobicContact CE1-CB 3.71Å; F133-L153 HydrophobicContact CE1-CD1 4.08Å; F133-L153 HydrophobicContact CE1-CG 4.47Å; F133-L153 HydrophobicContact CE2-CD1 3.9Å; F133-L153 HydrophobicContact CZ-CB 3.96Å; F133-L153 HydrophobicContact CZ-CD1 3.71Å; F133-L153 HydrophobicContact CZ-CG 4.31Å; F133-R154 PolarHBondContact O-N 3.22Å; F133-L180 HydrophobicContact CE2-CB 4.09Å; F133-L180 HydrophobicContact CE2-CD1 4.26Å; F133-L180 HydrophobicContact CE2-CD2 4.46Å; F133-I191 HydrophobicContact CE1-CD1 3.61Å; F133-I191 HydrophobicContact CE1-CG2 4.47Å; F133-I191 HydrophobicContact CZ-CD1 3.62Å; F133-I191 HydrophobicContact CZ-CG1 4.46Å
134D98.6Very high98.7Very high18 Ų1840.9 Ų40.910%0.09623%0.23CC..  trans-146.511.4176.558.36.6000113.3P113 R154 F170 G171 L180P113-D134 HydrophobicContact CB-CB 4.46Å; P113-D134 WeakPolarHBondContact CB-OD2 3.36Å; D134-R154 HydrophobicContact CB-CB 4.41Å; D134-F170 WeakPolarHBondContact OD2-CA 3.44Å; D134-G171 PolarHBondContact OD2-N 3.15Å; D134-L180 WeakPolarHBondContact O-CD1 3.3Å
135S98.7Very high98.7Very high38 Ų3840.1 Ų40.127%0.26622%0.223SC..SBendtrans-145.7154.8-177.568.10000113.4V137 E138 L139 L180S135-V137 VanDerWaalsContact C-N 3.34Å; S135-V137 PolarHBondContact O-N 3.37Å; S135-E138 WeakPolarHBondContact O-CB 3.37Å; S135-E138 PolarHBondContact O-N 2.87Å; S135-L139 PolarHBondContact O-N 2.91Å; S135-L180 VanDerWaalsContact C-CD2 3.42Å
136E98.7Very high98.7Very high87 Ų8736 Ų3641%0.40719%0.193SC..Hα-helixtrans-64.2-38.9179.7169.6173.1-164.400111.9E138 L139 M140 L180 R183E136-E138 PolarHBondContact O-N 2.81Å; E136-L139 WeakPolarHBondContact O-CB 3.24Å; E136-L139 PolarHBondContact O-N 2.91Å; E136-M140 HydrophobicContact CG-CE 3.76Å; E136-M140 PolarHBondContact O-N 3.09Å; E136-M140 VanDerWaalsContact O-N 3.08Å; E136-M140 WeakPolarHBondContact OE1-CE 3.23Å; E136-L180 HydrophobicContact CB-CD2 4.11Å; E136-L180 VanDerWaalsContact N-CD2 3.25Å; E136-R183 HydrophobicContact CG-CG 3.99Å; E136-R183 IonicContact OE1-CZ 3.73Å; E136-R183 IonicContact OE1-NE 2.86Å; E136-R183 PolarHBondContact OE1-NE 3.25Å; E136-R183 IonicContact OE1-NH2 3.86Å
137V98.7Very high98.7Very high93 Ų9338.1 Ų38.156%0.56421%0.207SC*.Hα-helixtrans-62.4-33.4178.8177.30000110.8S135 M140 K141S135-V137 VanDerWaalsContact C-N 3.34Å; S135-V137 PolarHBondContact O-N 3.37Å; V137-M140 PolarHBondContact O-N 2.67Å; V137-K141 HydrophobicContact CG1-CD 4.12Å; V137-K141 WeakPolarHBondContact O-CD 3.32Å; V137-K141 WeakPolarHBondContact O-CG 3.38Å; V137-K141 PolarHBondContact O-N 2.97Å
138E98.9Very high98.7Very high3 Ų344.4 Ų44.41%0.01422%0.224CC..Hα-helixtrans-64.7-41.8174.1-158.271.1-17300111.6P113 K115 F133 S135 E136 M140 K141 V142P113-E138 WeakPolarHBondContact O-CG 3.49Å; K115-E138 WeakPolarHBondContact CB-OE1 3.42Å; K115-E138 VanDerWaalsContact CE-OE1 3.26Å; K115-E138 WeakPolarHBondContact CE-OE1 3.37Å; K115-E138 PolarHBondContact N-OE1 3.06Å; K115-E138 IonicContact NZ-OE1 3.29Å; K115-E138 PolarHBondContact NZ-OE1 3.28Å; F133-E138 HydrophobicContact CB-CB 4.03Å; F133-E138 HydrophobicContact CB-CG 3.78Å; S135-E138 WeakPolarHBondContact O-CB 3.37Å; S135-E138 PolarHBondContact O-N 2.87Å; E136-E138 PolarHBondContact O-N 2.81Å; E138-M140 VanDerWaalsContact C-N 3.33Å; E138-M140 PolarHBondContact O-N 3.09Å; E138-K141 WeakPolarHBondContact O-CB 3.5Å; E138-K141 PolarHBondContact O-N 2.77Å; E138-K141 VanDerWaalsContact O-N 3.13Å; E138-K141 IonicContact OE1-NZ 2.71Å; E138-K141 WeakPolarHBondContact OE2-CE 3.39Å; E138-K141 IonicContact OE2-NZ 2.8Å; E138-K141 PolarHBondContact OE2-NZ 2.59Å; E138-V142 VanDerWaalsContact O-CG2 3.31Å; E138-V142 WeakPolarHBondContact O-CG2 3.25Å; E138-V142 PolarHBondContact O-N 2.86Å
139L98.9Very high98.7Very high0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-57.7-45.1173.3-65.6173.6000111.4F133 S135 E136 K141 V142 A143 L151 L180 R183 A184 L187 L189 I191F133-L139 HydrophobicContact CD2-CD1 4.5Å; F133-L139 HydrophobicContact CD2-CD2 3.65Å; F133-L139 HydrophobicContact CD2-CG 3.8Å; F133-L139 HydrophobicContact CE2-CD1 3.95Å; F133-L139 HydrophobicContact CE2-CD2 3.42Å; F133-L139 VanDerWaalsContact CE2-CD2 3.42Å; F133-L139 HydrophobicContact CE2-CG 3.68Å; F133-L139 HydrophobicContact CG-CD2 4.29Å; F133-L139 HydrophobicContact CZ-CD2 3.89Å; S135-L139 PolarHBondContact O-N 2.91Å; E136-L139 WeakPolarHBondContact O-CB 3.24Å; E136-L139 PolarHBondContact O-N 2.91Å; L139-K141 VanDerWaalsContact C-N 3.29Å; L139-K141 PolarHBondContact O-N 3.16Å; L139-V142 PolarHBondContact O-N 3.46Å; L139-A143 WeakPolarHBondContact O-CB 3.32Å; L139-A143 PolarHBondContact O-N 3Å; L139-L151 HydrophobicContact CD2-CD1 3.6Å; L139-L180 HydrophobicContact CD1-CD2 4.23Å; L139-L180 WeakPolarHBondContact CD1-O 3.36Å; L139-R183 HydrophobicContact CD1-CB 4.01Å; L139-R183 HydrophobicContact CD1-CG 4.01Å; L139-A184 HydrophobicContact CD1-CB 4.13Å; L139-A184 HydrophobicContact CD2-CB 4.04Å; L139-L187 HydrophobicContact CB-CD1 3.79Å; L139-L189 HydrophobicContact CB-CD1 4Å; L139-L189 HydrophobicContact CD2-CD1 3.73Å; L139-L189 HydrophobicContact CG-CD1 4.49Å; L139-I191 HydrophobicContact CD2-CD1 4.4Å
140M98.8Very high98.7Very high87 Ų8745.7 Ų45.743%0.42923%0.229SC..Hα-helixtrans-60.3-38.9176.8-63.5178.2-176.400112.2E136 V137 E138 R144E136-M140 HydrophobicContact CG-CE 3.76Å; E136-M140 PolarHBondContact O-N 3.09Å; E136-M140 VanDerWaalsContact O-N 3.08Å; E136-M140 WeakPolarHBondContact OE1-CE 3.23Å; V137-M140 PolarHBondContact O-N 2.67Å; E138-M140 VanDerWaalsContact C-N 3.33Å; E138-M140 PolarHBondContact O-N 3.09Å; M140-R144 PolarHBondContact O-N 3.2Å
141K98.9Very high98.7Very high37 Ų3743.9 Ų43.916%0.16122%0.22CC..Hα-helixtrans-66.7-43.5176.8-70.415857.6-173.30111.3K115 I117 I120 V137 E138 L139 R144 A145K115-K141 WeakPolarHBondContact O-CE 3.31Å; K115-K141 PolarHBondContact O-NZ 3.09Å; I117-K141 HydrophobicContact CD1-CG 4.32Å; I117-K141 HydrophobicContact CG1-CB 4.32Å; I117-K141 HydrophobicContact CG1-CD 4.45Å; I117-K141 HydrophobicContact CG1-CG 3.97Å; I120-K141 HydrophobicContact CD1-CB 3.96Å; V137-K141 HydrophobicContact CG1-CD 4.12Å; V137-K141 WeakPolarHBondContact O-CD 3.32Å; V137-K141 WeakPolarHBondContact O-CG 3.38Å; V137-K141 PolarHBondContact O-N 2.97Å; E138-K141 WeakPolarHBondContact O-CB 3.5Å; E138-K141 PolarHBondContact O-N 2.77Å; E138-K141 VanDerWaalsContact O-N 3.13Å; E138-K141 IonicContact OE1-NZ 2.71Å; E138-K141 WeakPolarHBondContact OE2-CE 3.39Å; E138-K141 IonicContact OE2-NZ 2.8Å; E138-K141 PolarHBondContact OE2-NZ 2.59Å; L139-K141 VanDerWaalsContact C-N 3.29Å; L139-K141 PolarHBondContact O-N 3.16Å; K141-R144 PolarHBondContact O-N 3.19Å; K141-A145 VanDerWaalsContact O-CB 3.29Å; K141-A145 WeakPolarHBondContact O-CB 3.36Å; K141-A145 PolarHBondContact O-N 2.91Å
142V98.8Very high98.8Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-65.5-48.4178.4175.50000110.9M131 E138 L139 R144 A145 H146 A149 L151 L189M131-V142 HydrophobicContact CE-CG1 4.25Å; M131-V142 HydrophobicContact CE-CG2 3.99Å; E138-V142 VanDerWaalsContact O-CG2 3.31Å; E138-V142 WeakPolarHBondContact O-CG2 3.25Å; E138-V142 PolarHBondContact O-N 2.86Å; L139-V142 PolarHBondContact O-N 3.46Å; V142-R144 PolarHBondContact O-N 3.29Å; V142-R144 VanDerWaalsContact O-N 3.07Å; V142-A145 PolarHBondContact O-N 2.9Å; V142-A145 VanDerWaalsContact O-N 3.1Å; V142-H146 VanDerWaalsContact CG1-O 3.24Å; V142-H146 WeakPolarHBondContact CG1-O 3.4Å; V142-H146 CarbonylContact O-C 3.01Å; V142-H146 WeakPolarHBondContact O-CA 3.49Å; V142-H146 PolarHBondContact O-N 3.38Å; V142-A149 HydrophobicContact CG1-CB 3.82Å; V142-L151 HydrophobicContact CB-CD1 4.45Å; V142-L151 HydrophobicContact CG1-CD1 4.07Å; V142-L151 HydrophobicContact CG1-CD2 4.08Å; V142-L151 HydrophobicContact CG1-CG 4.34Å; V142-L151 HydrophobicContact CG2-CD1 4.49Å; V142-L151 HydrophobicContact CG2-CD2 4Å; V142-L189 HydrophobicContact CB-CD1 4.49Å; V142-L189 HydrophobicContact CG1-CD1 4.48Å; V142-L189 HydrophobicContact CG1-CD2 3.92Å
143A98.8Very high98.8Very high33 Ų3343.9 Ų43.927%0.27322%0.22SC..Hα-helixtrans-52.1-36.2177.500000112.5L139 L189L139-A143 WeakPolarHBondContact O-CB 3.32Å; L139-A143 PolarHBondContact O-N 3Å; A143-L189 HydrophobicContact CB-CD1 4.23Å; A143-L189 HydrophobicContact CB-CD2 4.4Å
144R98.6Very high98.8Very high168 Ų16844.8 Ų44.863%0.63422%0.223SC*.Hα-helixtrans-82.8-39.2177.7-173.7178.162.5-167.2-6.1114.3M140 K141 V142M140-R144 PolarHBondContact O-N 3.2Å; K141-R144 PolarHBondContact O-N 3.19Å; V142-R144 PolarHBondContact O-N 3.29Å; V142-R144 VanDerWaalsContact O-N 3.07Å
145A98.8Very high98.7Very high14 Ų1444.1 Ų44.112%0.11622%0.22CC..Hα-helixtrans-107-24.5-165.100000114.6I117 I120 K121 K141 V142I117-A145 HydrophobicContact CG2-CB 4.22Å; I120-A145 HydrophobicContact CB-CB 4.27Å; I120-A145 HydrophobicContact CG2-CB 3.75Å; K121-A145 HydrophobicContact CG-CB 3.93Å; K141-A145 VanDerWaalsContact O-CB 3.29Å; K141-A145 WeakPolarHBondContact O-CB 3.36Å; K141-A145 PolarHBondContact O-N 2.91Å; V142-A145 PolarHBondContact O-N 2.9Å; V142-A145 VanDerWaalsContact O-N 3.1Å
146H98.7Very high98.6Very high8 Ų844.3 Ų44.34%0.03722%0.219CC..  trans-152.263.5179.4-166.21.2000110.7I120 A124 V128 Q129 M131 V142 K148 A149I120-H146 HydrophobicContact CG2-CB 3.66Å; A124-H146 HydrophobicContact CB-CB 3.94Å; V128-H146 PolarHBondContact O-NE2 2.85Å; Q129-H146 PolarHBondContact OE1-CE1 2.9Å; Q129-H146 VanDerWaalsContact OE1-CE1 3.25Å; M131-H146 HydrophobicContact CE-CB 4.05Å; V142-H146 VanDerWaalsContact CG1-O 3.24Å; V142-H146 WeakPolarHBondContact CG1-O 3.4Å; V142-H146 CarbonylContact O-C 3.01Å; V142-H146 WeakPolarHBondContact O-CA 3.49Å; V142-H146 PolarHBondContact O-N 3.38Å; H146-K148 PolarHBondContact O-N 3.05Å; H146-A149 HydrophobicContact CB-CB 4.34Å; H146-A149 VanDerWaalsContact O-CB 3.26Å; H146-A149 WeakPolarHBondContact O-CB 3.45Å; H146-A149 PolarHBondContact O-N 3.29Å
147P98.4Very high98.2Very high74 Ų7440.8 Ų40.848%0.48120%0.204SC..THydrogen-bonded Turntrans-63.7-15.2-172.424.2-34.6000114.3
148K98.5Very high97.5Very high166 Ų16641 Ų4172%0.72220%0.202SC*.THydrogen-bonded Turntrans-98.27.6178.8-65.2-176.6178.2-178.10113.3Q129 H146Q129-K148 PolarHBondContact NE2-O 3.09Å; Q129-K148 VanDerWaalsContact NE2-O 3.15Å; H146-K148 PolarHBondContact O-N 3.05Å
149A98.7Very high96.6Very high0 Ų041.7 Ų41.70%021%0.205CC..  trans-57.5150.217700000111.7Q129 M131 V142 H146 L151Q129-A149 WeakPolarHBondContact O-CA 3.36Å; M131-A149 HydrophobicContact CE-CB 3.51Å; V142-A149 HydrophobicContact CG1-CB 3.82Å; H146-A149 HydrophobicContact CB-CB 4.34Å; H146-A149 VanDerWaalsContact O-CB 3.26Å; H146-A149 WeakPolarHBondContact O-CB 3.45Å; H146-A149 PolarHBondContact O-N 3.29Å; A149-L151 HydrophobicContact CB-CD2 4.1Å; A149-L151 HydrophobicContact CB-CG 4.39Å
150K98.8Very high95.7Very high95 Ų9544 Ų4441%0.41322%0.221SC..EExtended strand (participates in β ladder)trans-100.9100.8170-59.1-53.6-173.21770106.9Q129 M130 M131 A190 V192Q129-K150 HydrophobicContact CB-CG 4.36Å; Q129-K150 PolarHBondContact O-N 2.9Å; M130-K150 WeakPolarHBondContact CA-O 3.17Å; M130-K150 HydrophobicContact CG-CB 4.22Å; M131-K150 PolarHBondContact N-O 2.72Å; M131-K150 VanDerWaalsContact N-O 3.16Å; K150-A190 HydrophobicContact CD-CB 4.1Å; K150-V192 HydrophobicContact CB-CG1 3.85Å; K150-V192 HydrophobicContact CB-CG2 3.86Å; K150-V192 HydrophobicContact CD-CG1 3.81Å; K150-V192 HydrophobicContact CG-CG1 4.25Å
151L98.9Very high94.7Very high0 Ų044.8 Ų44.80%022%0.222CC..EExtended strand (participates in β ladder)trans-87.5137.3-171.3-67.7-178.9000111.7M131 F133 L139 V142 A149 L189 A190 I191 V192M131-L151 HydrophobicContact CB-CD2 4.27Å; M131-L151 HydrophobicContact CE-CD2 4.28Å; M131-L151 WeakPolarHBondContact O-CA 3.27Å; F133-L151 HydrophobicContact CD1-CB 3.83Å; F133-L151 HydrophobicContact CD1-CD1 4.24Å; F133-L151 HydrophobicContact CD1-CD2 4.48Å; F133-L151 HydrophobicContact CD1-CG 4.42Å; F133-L151 HydrophobicContact CE1-CB 3.86Å; F133-L151 HydrophobicContact CE1-CD1 4.4Å; L139-L151 HydrophobicContact CD2-CD1 3.6Å; V142-L151 HydrophobicContact CB-CD1 4.45Å; V142-L151 HydrophobicContact CG1-CD1 4.07Å; V142-L151 HydrophobicContact CG1-CD2 4.08Å; V142-L151 HydrophobicContact CG1-CG 4.34Å; V142-L151 HydrophobicContact CG2-CD1 4.49Å; V142-L151 HydrophobicContact CG2-CD2 4Å; A149-L151 HydrophobicContact CB-CD2 4.1Å; A149-L151 HydrophobicContact CB-CG 4.39Å; L151-L189 HydrophobicContact CD1-CB 4.31Å; L151-L189 HydrophobicContact CD1-CD1 4.14Å; L151-A190 WeakPolarHBondContact CB-O 3.28Å; L151-A190 PolarHBondContact N-O 2.89Å; L151-I191 HydrophobicContact CB-CD1 3.6Å; L151-I191 HydrophobicContact CD1-CD1 3.86Å; L151-I191 HydrophobicContact CG-CD1 4.36Å; L151-I191 CarbonylContact O-C 3.54Å; L151-I191 WeakPolarHBondContact O-CA 3.49Å; L151-V192 WeakPolarHBondContact O-CG2 3.33Å; L151-V192 PolarHBondContact O-N 3.09Å
152V98.9Very high93.7Very high0 Ų043.4 Ų43.40%022%0.218CC..EExtended strand (participates in β ladder)trans-112.4117.5175.3-174.90000107.9I109 M131 T132 F133 R154 V192 L231I109-V152 HydrophobicContact CD1-CG2 4.4Å; M131-V152 PolarHBondContact O-N 3.2Å; T132-V152 CarbonylContact C-O 3.47Å; T132-V152 VanDerWaalsContact CA-O 3.23Å; T132-V152 WeakPolarHBondContact CA-O 3.27Å; T132-V152 HydrophobicContact CG2-CB 4.19Å; F133-V152 WeakPolarHBondContact CD1-O 3.25Å; F133-V152 PolarHBondContact N-O 3.18Å; V152-R154 PolarHBondContact O-N 3.41Å; V152-V192 HydrophobicContact CG2-CG2 4.12Å; V152-L231 HydrophobicContact CG2-CD2 3.7Å
153L98.9Very high92.8Very high0 Ų046.8 Ų46.80%024%0.239CC..EExtended strand (participates in β ladder)trans-78.2118.3-178.3174.957.9000109.6F133 A172 L180 L181 I191 G193 V194 S195 V218F133-L153 HydrophobicContact CD2-CD1 4.44Å; F133-L153 HydrophobicContact CE1-CB 3.71Å; F133-L153 HydrophobicContact CE1-CD1 4.08Å; F133-L153 HydrophobicContact CE1-CG 4.47Å; F133-L153 HydrophobicContact CE2-CD1 3.9Å; F133-L153 HydrophobicContact CZ-CB 3.96Å; F133-L153 HydrophobicContact CZ-CD1 3.71Å; F133-L153 HydrophobicContact CZ-CG 4.31Å; L153-A172 HydrophobicContact CD1-CB 4.21Å; L153-L180 HydrophobicContact CD1-CB 4.49Å; L153-L180 HydrophobicContact CD1-CD1 3.65Å; L153-L181 HydrophobicContact CD2-CD2 4.26Å; L153-L181 HydrophobicContact CD2-CG 4.26Å; L153-I191 HydrophobicContact CB-CG2 4.49Å; L153-G193 PolarHBondContact N-O 3.13Å; L153-V194 CarbonylContact O-C 3.4Å; L153-V194 VanDerWaalsContact O-CA 3.26Å; L153-V194 WeakPolarHBondContact O-CA 3.39Å; L153-V194 WeakPolarHBondContact O-CG1 3.41Å; L153-S195 PolarHBondContact O-N 3.23Å; L153-V218 HydrophobicContact CD2-CG1 3.84Å
154R98.9Very high91.7Very high20 Ų2046.2 Ų46.28%0.07523%0.232CC..EExtended strand (participates in β ladder)trans-84.7124.8176.1-174.4176.5175.7158.8-1.7110.5F133 D134 V152 G171 A172 S195F133-R154 PolarHBondContact O-N 3.22Å; D134-R154 HydrophobicContact CB-CB 4.41Å; V152-R154 PolarHBondContact O-N 3.41Å; R154-G171 WeakPolarHBondContact O-CA 3.41Å; R154-A172 PolarHBondContact O-N 2.87Å; R154-S195 CarbonylContact C-O 3.54Å; R154-S195 VanDerWaalsContact CA-O 3.26Å; R154-S195 WeakPolarHBondContact CA-O 3.38Å
155I98.5Very high91Very high4 Ų445.4 Ų45.42%0.02123%0.229CC..BIsolated β-bridgetrans-101156.7177.363.5170000112.1A172 V194 S195 F196 D214 A215 V218I155-A172 WeakPolarHBondContact CA-O 2.92Å; I155-V194 HydrophobicContact CD1-CG1 4.06Å; I155-V194 HydrophobicContact CG1-CG1 4.02Å; I155-V194 HydrophobicContact CG2-CG1 3.82Å; I155-S195 PolarHBondContact N-O 3.31Å; I155-F196 HydrophobicContact CD1-CB 4.43Å; I155-F196 HydrophobicContact CG1-CB 3.8Å; I155-D214 HydrophobicContact CD1-CB 3.85Å; I155-A215 HydrophobicContact CD1-CB 4.15Å; I155-V218 HydrophobicContact CG2-CG2 4.02Å
156T95.2Very high90.1Very high41 Ų4147.1 Ų47.125%0.25224%0.236SC..PPolyproline II helixtrans-70.9148172.451.20000111.5G171 A172T156-G171 VanDerWaalsContact CG2-C 3.41Å; T156-G171 WeakPolarHBondContact CG2-O 3.49Å; T156-A172 PolarHBondContact N-O 3.41Å; T156-A172 PolarHBondContact OG1-O 3.1Å
157T89.9Confident89.1Confident14 Ų1448 Ų489%0.08624%0.243CC..  trans-124160.3169.858.30000111D159 S167 F196 H197 V198 A211T157-D159 PolarHBondContact O-N 3.02Å; T157-S167 PolarHBondContact N-OG 3.45Å; T157-S167 WeakPolarHBondContact O-CB 3.26Å; T157-S167 PolarHBondContact O-OG 3.42Å; T157-S167 PolarHBondContact OG1-OG 3.49Å; T157-F196 HydrophobicContact CG2-CB 3.68Å; T157-F196 HydrophobicContact CG2-CD2 4.08Å; T157-F196 HydrophobicContact CG2-CG 4.17Å; T157-H197 PolarHBondContact OG1-O 2.82Å; T157-H197 VanDerWaalsContact OG1-O 3.08Å; T157-V198 HydrophobicContact CG2-CG1 4.45Å; T157-A211 HydrophobicContact CG2-CB 3.7Å
158D85.7Confident88.2Confident98 Ų9850.7 Ų50.752%0.52426%0.258SS..  trans-74.691165.5-177.74.7000110.4S160 T207D158-S160 VanDerWaalsContact C-N 3.33Å; D158-S160 WeakPolarHBondContact OD1-CB 3.26Å; D158-S160 PolarHBondContact OD1-N 3.42Å; D158-S160 VanDerWaalsContact OD1-N 3.1Å; D158-S160 PolarHBondContact OD1-OG 3.23Å; D158-T207 WeakPolarHBondContact O-CG2 3.37Å; D158-T207 PolarHBondContact O-OG1 3.34Å
159D78.5Confident87.5Confident16 Ų1650.3 Ų50.39%0.08626%0.256CS..  trans-95.318.1177.867.7-1.6000113T157 K161 A162 R165 L166 S167T157-D159 PolarHBondContact O-N 3.02Å; D159-K161 PolarHBondContact O-N 2.78Å; D159-A162 HydrophobicContact CB-CB 4.21Å; D159-A162 WeakPolarHBondContact O-CB 3.31Å; D159-A162 PolarHBondContact O-N 3.36Å; D159-R165 WeakPolarHBondContact O-CG 3.31Å; D159-R165 VanDerWaalsContact OD2-CA 3.24Å; D159-R165 WeakPolarHBondContact OD2-CA 2.89Å; D159-R165 WeakPolarHBondContact OD2-CB 3.35Å; D159-L166 PolarHBondContact OD2-N 3.12Å; D159-S167 WeakPolarHBondContact OD2-CB 3.23Å; D159-S167 PolarHBondContact OD2-N 3.36Å; D159-S167 PolarHBondContact OD2-OG 3.26Å
160S80.2Confident87.2Confident49 Ų4951.8 Ų51.834%0.34326%0.263SS..THydrogen-bonded Turntrans-57.1-27.9-177.659.80000113.4D158 R165D158-S160 VanDerWaalsContact C-N 3.33Å; D158-S160 WeakPolarHBondContact OD1-CB 3.26Å; D158-S160 PolarHBondContact OD1-N 3.42Å; D158-S160 VanDerWaalsContact OD1-N 3.1Å; D158-S160 PolarHBondContact OD1-OG 3.23Å; S160-R165 PolarHBondContact O-NE 3.25Å; S160-R165 PolarHBondContact O-NH2 3.5Å
161K78.8Confident87Confident103 Ų10348.1 Ų48.145%0.44825%0.252SS..THydrogen-bonded Turntrans-102.29.9180-61.4179.9-173.7172.40114.1D159 T203 D204D159-K161 PolarHBondContact O-N 2.78Å; K161-T203 PolarHBondContact O-N 2.96Å; K161-T203 PolarHBondContact O-OG1 2.98Å; K161-D204 HydrophobicContact CB-CB 4.29Å; K161-D204 HydrophobicContact CD-CB 3.51Å; K161-D204 WeakPolarHBondContact CD-OD2 3.09Å; K161-D204 IonicContact NZ-OD2 2.8Å; K161-D204 PolarHBondContact NZ-OD2 3.1Å
162A78.3Confident87Confident9 Ų948.3 Ų48.37%0.07425%0.253CS..EExtended strand (participates in β ladder)trans-87.9147.4171.800000111D159 V198D159-A162 HydrophobicContact CB-CB 4.21Å; D159-A162 WeakPolarHBondContact O-CB 3.31Å; D159-A162 PolarHBondContact O-N 3.36Å; A162-V198 WeakPolarHBondContact CB-O 3.34Å
163V78Confident86.9Confident71 Ų7151.5 Ų51.543%0.4327%0.273SS..EExtended strand (participates in β ladder)trans-63.4-46.8173.9174.60000110.4S200 G201 H333V163-S200 WeakPolarHBondContact CB-O 3.39Å; V163-S200 PolarHBondContact N-O 3.04Å; V163-G201 PolarHBondContact N-O 3.33Å; V163-H333 HydrophobicContact CG1-CB 3.61Å
164C77.6Confident86.9Confident21 Ų2154.3 Ų54.314%0.14229%0.288CS..EExtended strand (participates in β ladder)trans-111.9112.9174-60.30000110.7G199 S200C164-G199 VanDerWaalsContact O-CA 3.31Å; C164-G199 WeakPolarHBondContact O-CA 3.47Å; C164-S200 PolarHBondContact N-O 3.11Å; C164-S200 PolarHBondContact O-N 3.39Å
165R83.4Confident86.8Confident151 Ų15161.4 Ų61.457%0.5732%0.319SS*.  trans-83.6131.9178.8-58.2-168.7-176.3162.2-1111.6D159 S160D159-R165 WeakPolarHBondContact O-CG 3.31Å; D159-R165 VanDerWaalsContact OD2-CA 3.24Å; D159-R165 WeakPolarHBondContact OD2-CA 2.89Å; D159-R165 WeakPolarHBondContact OD2-CB 3.35Å; S160-R165 PolarHBondContact O-NE 3.25Å; S160-R165 PolarHBondContact O-NH2 3.5Å
166L79.1Confident86.8Confident50 Ų5063.9 Ų63.926%0.26234%0.335SS..  trans-118.4-26.3-177.9-59.2178.8000112.7D159 V168 K169 F170 H197D159-L166 PolarHBondContact OD2-N 3.12Å; L166-V168 PolarHBondContact O-N 3.26Å; L166-K169 PolarHBondContact O-N 3.43Å; L166-F170 PolarHBondContact O-N 3.19Å; L166-H197 HydrophobicContact CD1-CB 4.46Å
167S78.6Confident86.9Confident25 Ų2562 Ų6218%0.17532%0.323CS..THydrogen-bonded Turntrans-65-22.7-176.8-69.20000113.4T157 D159 K169 F170T157-S167 PolarHBondContact N-OG 3.45Å; T157-S167 WeakPolarHBondContact O-CB 3.26Å; T157-S167 PolarHBondContact O-OG 3.42Å; T157-S167 PolarHBondContact OG1-OG 3.49Å; D159-S167 WeakPolarHBondContact OD2-CB 3.23Å; D159-S167 PolarHBondContact OD2-N 3.36Å; D159-S167 PolarHBondContact OD2-OG 3.26Å; S167-K169 PolarHBondContact O-N 3.31Å; S167-F170 CarbonylContact C-O 3.51Å; S167-F170 VanDerWaalsContact CA-O 3.31Å; S167-F170 WeakPolarHBondContact CA-O 3.39Å
168V78.8Confident87.3Confident132 Ų13264.4 Ų64.480%0.833%0.33SS*.THydrogen-bonded Turntrans-64.3-26.9172.6700000112.3L166L166-V168 PolarHBondContact O-N 3.26Å
169K84.7Confident88Confident157 Ų15764.6 Ų64.668%0.68333%0.331SS*.THydrogen-bonded Turntrans-106.7-32.4-175.7-175177.2177.4-177.30112.9L166 S167L166-K169 PolarHBondContact O-N 3.43Å; S167-K169 PolarHBondContact O-N 3.31Å
170F92Very high88.9Confident32 Ų3264.1 Ų64.114%0.1433%0.328CS..SBendtrans-135156.3-170.9-60.8-61.2000112.7P113 C114 D134 L166 S167P113-F170 HydrophobicContact CB-CD1 4.06Å; P113-F170 HydrophobicContact CB-CE1 4.45Å; P113-F170 HydrophobicContact CG-CB 4.46Å; P113-F170 HydrophobicContact CG-CD1 3.81Å; P113-F170 HydrophobicContact CG-CE1 4.26Å; P113-F170 HydrophobicContact CG-CG 4.23Å; C114-F170 HydrophobicContact CB-CE1 4.46Å; D134-F170 WeakPolarHBondContact OD2-CA 3.44Å; L166-F170 PolarHBondContact O-N 3.19Å; S167-F170 CarbonylContact C-O 3.51Å; S167-F170 VanDerWaalsContact CA-O 3.31Å; S167-F170 WeakPolarHBondContact CA-O 3.39Å
171G95.1Very high89.8Confident18 Ų1861.8 Ų61.819%0.18631%0.312CS..  trans102.7138.6175.800000112.7D134 R154 T156D134-G171 PolarHBondContact OD2-N 3.15Å; R154-G171 WeakPolarHBondContact O-CA 3.41Å; T156-G171 VanDerWaalsContact CG2-C 3.41Å; T156-G171 WeakPolarHBondContact CG2-O 3.49Å
172A97.4Very high90.8Very high3 Ų360 Ų603%0.02531%0.305CS..BIsolated β-bridgetrans-91137.9172.600000110.6L153 R154 I155 T156 T176 L180L153-A172 HydrophobicContact CD1-CB 4.21Å; R154-A172 PolarHBondContact O-N 2.87Å; I155-A172 WeakPolarHBondContact CA-O 2.92Å; T156-A172 PolarHBondContact N-O 3.41Å; T156-A172 PolarHBondContact OG1-O 3.1Å; A172-T176 HydrophobicContact CB-CG2 4.12Å; A172-L180 HydrophobicContact CB-CD1 3.76Å
173T97.9Very high91.8Very high67 Ų6762.8 Ų62.841%0.41131%0.314SS..  trans-63.7162.6167.5710000110.2K175 T176 S177T173-K175 PolarHBondContact O-N 2.95Å; T173-T176 PolarHBondContact O-N 2.99Å; T173-T176 VanDerWaalsContact O-N 3.13Å; T173-T176 PolarHBondContact OG1-N 3.41Å; T173-T176 VanDerWaalsContact OG1-N 3.1Å; T173-T176 PolarHBondContact OG1-OG1 2.96Å; T173-S177 WeakPolarHBondContact O-CB 3.26Å; T173-S177 PolarHBondContact O-N 3.37Å; T173-S177 PolarHBondContact O-OG 2.88Å
174L97.5Very high92.8Very high59 Ų5959.4 Ų59.431%0.30929%0.293SS..Hα-helixtrans-55.7-39.8174.6-66.6-179.3000112.5S177 R178 D214 V218 M221L174-S177 WeakPolarHBondContact O-CB 3.46Å; L174-S177 PolarHBondContact O-N 3.36Å; L174-R178 PolarHBondContact O-N 3.07Å; L174-D214 HydrophobicContact CD2-CB 4.12Å; L174-V218 HydrophobicContact CD2-CG2 3.56Å; L174-M221 HydrophobicContact CB-CE 4.45Å
175K97.2Very high93.7Very high170 Ų17063.4 Ų63.474%0.73931%0.308SS*.Hα-helixtrans-63.3-47.2176.2-175.8-177.8178.8-177.30111.7T173 S177T173-K175 PolarHBondContact O-N 2.95Å; K175-S177 VanDerWaalsContact C-N 3.31Å
176T98.3Very high94.5Very high56 Ų5662.7 Ų62.734%0.34431%0.311SS..Hα-helixtrans-65.3-37.8177.7-54.40000111.1A172 T173 R178 L179 L180A172-T176 HydrophobicContact CB-CG2 4.12Å; T173-T176 PolarHBondContact O-N 2.99Å; T173-T176 VanDerWaalsContact O-N 3.13Å; T173-T176 PolarHBondContact OG1-N 3.41Å; T173-T176 VanDerWaalsContact OG1-N 3.1Å; T173-T176 PolarHBondContact OG1-OG1 2.96Å; T176-R178 VanDerWaalsContact C-N 3.32Å; T176-R178 PolarHBondContact O-N 3.15Å; T176-L179 WeakPolarHBondContact O-CB 3.43Å; T176-L179 PolarHBondContact O-N 3.35Å; T176-L179 VanDerWaalsContact O-N 3.12Å; T176-L180 HydrophobicContact CG2-CD1 4.01Å; T176-L180 HydrophobicContact CG2-CG 4.16Å; T176-L180 WeakPolarHBondContact O-CG 3.36Å; T176-L180 PolarHBondContact O-N 2.83Å
177S98.8Very high95.4Very high0 Ų062.6 Ų62.60%031%0.311CS..Hα-helixtrans-56.9-44.6179.8-63.50000111.7T173 L174 K175 L179 L180 L181T173-S177 WeakPolarHBondContact O-CB 3.26Å; T173-S177 PolarHBondContact O-N 3.37Å; T173-S177 PolarHBondContact O-OG 2.88Å; L174-S177 WeakPolarHBondContact O-CB 3.46Å; L174-S177 PolarHBondContact O-N 3.36Å; K175-S177 VanDerWaalsContact C-N 3.31Å; S177-L179 PolarHBondContact O-N 2.89Å; S177-L180 PolarHBondContact O-N 3.3Å; S177-L181 VanDerWaalsContact O-CG 3.31Å; S177-L181 WeakPolarHBondContact O-CG 3.43Å; S177-L181 PolarHBondContact O-N 3.42Å
178R98.6Very high96.3Very high66 Ų6668.6 Ų68.625%0.24934%0.341CS..Hα-helixtrans-55.6-49.6174.4179.662.7-165.1-168.1-3.9112.4L174 T176 L180 L181 E182 M221 E224L174-R178 PolarHBondContact O-N 3.07Å; T176-R178 VanDerWaalsContact C-N 3.32Å; T176-R178 PolarHBondContact O-N 3.15Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.39Å; R178-L181 PolarHBondContact O-N 3.42Å; R178-E182 IonicContact CZ-OE1 2.67Å; R178-E182 VanDerWaalsContact CZ-OE1 3.26Å; R178-E182 IonicContact NE-OE1 3.16Å; R178-E182 PolarHBondContact NE-OE1 3.34Å; R178-E182 IonicContact NH2-OE1 3.69Å; R178-E182 PolarHBondContact NH2-OE1 2.92Å; R178-E182 WeakPolarHBondContact O-CG 3.45Å; R178-E182 PolarHBondContact O-N 3.38Å; R178-E182 VanDerWaalsContact O-N 3.09Å; R178-M221 HydrophobicContact CB-SD 3.82Å; R178-M221 PolarHBondContact NH1-O 3.37Å; R178-E224 IonicContact CZ-OE2 3.24Å; R178-E224 IonicContact NH1-OE2 2.9Å; R178-E224 PolarHBondContact NH1-OE2 2.9Å
179L98.8Very high97.3Very high101 Ų10162.6 Ų62.653%0.52930%0.304SS..Hα-helixtrans-62.9-37.8179.8-60174.6000111.9T176 S177 R183T176-L179 WeakPolarHBondContact O-CB 3.43Å; T176-L179 PolarHBondContact O-N 3.35Å; T176-L179 VanDerWaalsContact O-N 3.12Å; S177-L179 PolarHBondContact O-N 2.89Å; L179-R183 VanDerWaalsContact O-CB 3.31Å; L179-R183 WeakPolarHBondContact O-CB 3.26Å; L179-R183 PolarHBondContact O-N 2.87Å
180L98.9Very high97.9Very high6 Ų656.7 Ų56.73%0.03129%0.285CS..Hα-helixtrans-67.4-38.6177.3-69.9175.9000112.5F133 D134 S135 E136 L139 L153 A172 T176 S177 R178 R183 A184F133-L180 HydrophobicContact CE2-CB 4.09Å; F133-L180 HydrophobicContact CE2-CD1 4.26Å; F133-L180 HydrophobicContact CE2-CD2 4.46Å; D134-L180 WeakPolarHBondContact O-CD1 3.3Å; S135-L180 VanDerWaalsContact C-CD2 3.42Å; E136-L180 HydrophobicContact CB-CD2 4.11Å; E136-L180 VanDerWaalsContact N-CD2 3.25Å; L139-L180 HydrophobicContact CD1-CD2 4.23Å; L139-L180 WeakPolarHBondContact CD1-O 3.36Å; L153-L180 HydrophobicContact CD1-CB 4.49Å; L153-L180 HydrophobicContact CD1-CD1 3.65Å; A172-L180 HydrophobicContact CB-CD1 3.76Å; T176-L180 HydrophobicContact CG2-CD1 4.01Å; T176-L180 HydrophobicContact CG2-CG 4.16Å; T176-L180 WeakPolarHBondContact O-CG 3.36Å; T176-L180 PolarHBondContact O-N 2.83Å; S177-L180 PolarHBondContact O-N 3.3Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.39Å; L180-R183 PolarHBondContact O-N 3.43Å; L180-A184 WeakPolarHBondContact O-CB 3.44Å; L180-A184 PolarHBondContact O-N 3.16Å
181L98.9Very high98.2Very high0 Ų055.4 Ų55.40%028%0.279CS..Hα-helixtrans-65.8-44.3175.9-67.4171.2000111.4L153 S177 R178 R183 A184 K185 I191 V218 M221 L225 F227 M229L153-L181 HydrophobicContact CD2-CD2 4.26Å; L153-L181 HydrophobicContact CD2-CG 4.26Å; S177-L181 VanDerWaalsContact O-CG 3.31Å; S177-L181 WeakPolarHBondContact O-CG 3.43Å; S177-L181 PolarHBondContact O-N 3.42Å; R178-L181 PolarHBondContact O-N 3.42Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 3.06Å; L181-A184 PolarHBondContact O-N 3.3Å; L181-K185 PolarHBondContact O-N 3.03Å; L181-I191 HydrophobicContact CD2-CB 4.21Å; L181-I191 HydrophobicContact CD2-CG1 4.12Å; L181-I191 HydrophobicContact CD2-CG2 3.89Å; L181-V218 HydrophobicContact CD1-CG1 4.18Å; L181-M221 HydrophobicContact CD1-CB 3.85Å; L181-L225 HydrophobicContact CB-CD1 3.45Å; L181-L225 VanDerWaalsContact CB-CD1 3.45Å; L181-F227 HydrophobicContact CB-CE2 4.08Å; L181-F227 HydrophobicContact CD2-CD2 4.23Å; L181-F227 HydrophobicContact CD2-CE2 4.18Å; L181-F227 WeakPolarHBondContact O-CE2 3.42Å; L181-F227 WeakPolarHBondContact O-CZ 3.14Å; L181-M229 HydrophobicContact CD1-CE 4.24Å; L181-M229 HydrophobicContact CD2-CE 3.37Å; L181-M229 HydrophobicContact CG-CE 4.46Å
182E98.8Very high98.4Very high66 Ų6655 Ų5531%0.30827%0.273SS..Hα-helixtrans-58-48173.8-71.8170.917300110.4R178 A184 K185 E186 L225R178-E182 IonicContact CZ-OE1 2.67Å; R178-E182 VanDerWaalsContact CZ-OE1 3.26Å; R178-E182 IonicContact NE-OE1 3.16Å; R178-E182 PolarHBondContact NE-OE1 3.34Å; R178-E182 IonicContact NH2-OE1 3.69Å; R178-E182 PolarHBondContact NH2-OE1 2.92Å; R178-E182 WeakPolarHBondContact O-CG 3.45Å; R178-E182 PolarHBondContact O-N 3.38Å; R178-E182 VanDerWaalsContact O-N 3.09Å; E182-A184 PolarHBondContact O-N 2.98Å; E182-K185 WeakPolarHBondContact O-CB 3.26Å; E182-K185 PolarHBondContact O-N 2.73Å; E182-K185 VanDerWaalsContact O-N 3.13Å; E182-E186 WeakPolarHBondContact O-CG 3.48Å; E182-E186 PolarHBondContact O-N 3.31Å; E182-L225 HydrophobicContact CG-CD1 3.86Å; E182-L225 HydrophobicContact CG-CD2 3.92Å
183R98.8Very high98.5Very high67 Ų6754.9 Ų54.925%0.25327%0.272SS..Hα-helixtrans-64.3-38.3179.3-17153.6170.5147.87.8113.5E136 L139 L179 L180 L181 K185 E186 L187E136-R183 HydrophobicContact CG-CG 3.99Å; E136-R183 IonicContact OE1-CZ 3.73Å; E136-R183 IonicContact OE1-NE 2.86Å; E136-R183 PolarHBondContact OE1-NE 3.25Å; E136-R183 IonicContact OE1-NH2 3.86Å; L139-R183 HydrophobicContact CD1-CB 4.01Å; L139-R183 HydrophobicContact CD1-CG 4.01Å; L179-R183 VanDerWaalsContact O-CB 3.31Å; L179-R183 WeakPolarHBondContact O-CB 3.26Å; L179-R183 PolarHBondContact O-N 2.87Å; L180-R183 PolarHBondContact O-N 3.43Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 3.06Å; R183-K185 VanDerWaalsContact C-N 3.29Å; R183-K185 PolarHBondContact O-N 3.36Å; R183-E186 WeakPolarHBondContact CD-OE2 3.27Å; R183-E186 IonicContact CZ-OE2 3.66Å; R183-E186 IonicContact NE-OE2 3.83Å; R183-E186 IonicContact NH1-OE2 2.75Å; R183-E186 PolarHBondContact NH1-OE2 2.8Å; R183-E186 PolarHBondContact O-N 3.26Å; R183-L187 HydrophobicContact CG-CD1 4.2Å; R183-L187 WeakPolarHBondContact O-CG 3.3Å; R183-L187 PolarHBondContact O-N 2.87Å; R183-L187 VanDerWaalsContact O-N 3.13Å
184A98.8Very high98.5Very high0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-64.1-36.7175.200000111.6L139 L180 L181 E182 L187 D188 L189 I191 F227L139-A184 HydrophobicContact CD1-CB 4.13Å; L139-A184 HydrophobicContact CD2-CB 4.04Å; L180-A184 WeakPolarHBondContact O-CB 3.44Å; L180-A184 PolarHBondContact O-N 3.16Å; L181-A184 PolarHBondContact O-N 3.3Å; E182-A184 PolarHBondContact O-N 2.98Å; A184-L187 PolarHBondContact O-N 2.86Å; A184-D188 PolarHBondContact O-N 2.83Å; A184-L189 HydrophobicContact CB-CB 4.33Å; A184-L189 PolarHBondContact O-N 3.38Å; A184-I191 HydrophobicContact CB-CD1 3.57Å; A184-I191 HydrophobicContact CB-CG1 3.59Å; A184-F227 HydrophobicContact CB-CZ 4.16Å
185K98.3Very high98.6Very high105 Ų10549 Ų4946%0.45724%0.239SC..Hα-helixtrans-64.5-44175.4-166.172.7176.3-157.70111.7L181 E182 R183 L187 D188 L225 F227L181-K185 PolarHBondContact O-N 3.03Å; E182-K185 WeakPolarHBondContact O-CB 3.26Å; E182-K185 PolarHBondContact O-N 2.73Å; E182-K185 VanDerWaalsContact O-N 3.13Å; R183-K185 VanDerWaalsContact C-N 3.29Å; R183-K185 PolarHBondContact O-N 3.36Å; K185-L187 PolarHBondContact O-N 3.44Å; K185-D188 PolarHBondContact O-N 2.94Å; K185-L225 VanDerWaalsContact CE-O 3.31Å; K185-L225 WeakPolarHBondContact CE-O 3.41Å; K185-L225 PolarHBondContact NZ-O 2.69Å; K185-F227 HydrophobicContact CB-CE2 4.39Å; K185-F227 HydrophobicContact CB-CZ 3.98Å; K185-F227 HydrophobicContact CD-CE1 4.38Å; K185-F227 HydrophobicContact CD-CE2 4.46Å; K185-F227 HydrophobicContact CD-CZ 4.03Å
186E98.6Very high98.7Very high136 Ų13640.9 Ų40.964%0.63620%0.204SC*.Hα-helixtrans-60.9-33.2175.6-67.6172.9-179.900113E182 R183 D188E182-E186 WeakPolarHBondContact O-CG 3.48Å; E182-E186 PolarHBondContact O-N 3.31Å; R183-E186 WeakPolarHBondContact CD-OE2 3.27Å; R183-E186 IonicContact CZ-OE2 3.66Å; R183-E186 IonicContact NE-OE2 3.83Å; R183-E186 IonicContact NH1-OE2 2.75Å; R183-E186 PolarHBondContact NH1-OE2 2.8Å; R183-E186 PolarHBondContact O-N 3.26Å; E186-D188 VanDerWaalsContact C-N 3.34Å
187L98.6Very high98.6Very high49 Ų4939.1 Ų39.126%0.25719%0.191SC..THydrogen-bonded Turntrans-88.83.3180-67172.7000113.7L139 R183 A184 K185 L189L139-L187 HydrophobicContact CB-CD1 3.79Å; R183-L187 HydrophobicContact CG-CD1 4.2Å; R183-L187 WeakPolarHBondContact O-CG 3.3Å; R183-L187 PolarHBondContact O-N 2.87Å; R183-L187 VanDerWaalsContact O-N 3.13Å; A184-L187 PolarHBondContact O-N 2.86Å; K185-L187 PolarHBondContact O-N 3.44Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 HydrophobicContact CB-CD1 4.02Å; L187-L189 HydrophobicContact CB-CG 4.04Å; L187-L189 HydrophobicContact CD1-CD1 4.27Å; L187-L189 PolarHBondContact O-N 2.73Å
188D98.4Very high98.2Very high150 Ų15039.1 Ų39.180%0.80219%0.191SC*.THydrogen-bonded Turntrans54.239-175.3-163.436.6000113.4A184 K185 E186A184-D188 PolarHBondContact O-N 2.83Å; K185-D188 PolarHBondContact O-N 2.94Å; E186-D188 VanDerWaalsContact C-N 3.34Å
189L98.6Very high97.2Very high6 Ų636 Ų363%0.03118%0.179CC..  trans-96.8139.1178.2-69.9174.8000111.4L139 V142 A143 L151 A184 L187 I191 F227L139-L189 HydrophobicContact CB-CD1 4Å; L139-L189 HydrophobicContact CD2-CD1 3.73Å; L139-L189 HydrophobicContact CG-CD1 4.49Å; V142-L189 HydrophobicContact CB-CD1 4.49Å; V142-L189 HydrophobicContact CG1-CD1 4.48Å; V142-L189 HydrophobicContact CG1-CD2 3.92Å; A143-L189 HydrophobicContact CB-CD1 4.23Å; A143-L189 HydrophobicContact CB-CD2 4.4Å; L151-L189 HydrophobicContact CD1-CB 4.31Å; L151-L189 HydrophobicContact CD1-CD1 4.14Å; A184-L189 HydrophobicContact CB-CB 4.33Å; A184-L189 PolarHBondContact O-N 3.38Å; L187-L189 VanDerWaalsContact C-N 3.26Å; L187-L189 HydrophobicContact CB-CD1 4.02Å; L187-L189 HydrophobicContact CB-CG 4.04Å; L187-L189 HydrophobicContact CD1-CD1 4.27Å; L187-L189 PolarHBondContact O-N 2.73Å; L189-I191 PolarHBondContact O-N 2.99Å; L189-F227 WeakPolarHBondContact O-CE1 3.13Å
190A98.5Very high96.3Very high34 Ų3431.7 Ų31.728%0.28116%0.158SC..EExtended strand (participates in β ladder)trans-83.4110.6177.600000111.3K150 L151K150-A190 HydrophobicContact CD-CB 4.1Å; L151-A190 WeakPolarHBondContact CB-O 3.28Å; L151-A190 PolarHBondContact N-O 2.89Å
191I98.8Very high95Very high4 Ų432.6 Ų32.62%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-92.6120.6165.5-46.7-51.1000108.4F133 L139 L151 L153 L181 A184 L189 F227 M229F133-I191 HydrophobicContact CE1-CD1 3.61Å; F133-I191 HydrophobicContact CE1-CG2 4.47Å; F133-I191 HydrophobicContact CZ-CD1 3.62Å; F133-I191 HydrophobicContact CZ-CG1 4.46Å; L139-I191 HydrophobicContact CD2-CD1 4.4Å; L151-I191 HydrophobicContact CB-CD1 3.6Å; L151-I191 HydrophobicContact CD1-CD1 3.86Å; L151-I191 HydrophobicContact CG-CD1 4.36Å; L151-I191 CarbonylContact O-C 3.54Å; L151-I191 WeakPolarHBondContact O-CA 3.49Å; L153-I191 HydrophobicContact CB-CG2 4.49Å; L181-I191 HydrophobicContact CD2-CB 4.21Å; L181-I191 HydrophobicContact CD2-CG1 4.12Å; L181-I191 HydrophobicContact CD2-CG2 3.89Å; A184-I191 HydrophobicContact CB-CD1 3.57Å; A184-I191 HydrophobicContact CB-CG1 3.59Å; L189-I191 PolarHBondContact O-N 2.99Å; I191-F227 HydrophobicContact CB-CD1 3.95Å; I191-F227 HydrophobicContact CB-CE1 4.03Å; I191-F227 HydrophobicContact CB-CG 4.34Å; I191-F227 HydrophobicContact CB-CZ 4.46Å; I191-F227 HydrophobicContact CG1-CD1 4.28Å; I191-F227 HydrophobicContact CG1-CE1 3.82Å; I191-F227 HydrophobicContact CG1-CZ 3.94Å; I191-M229 HydrophobicContact CB-CE 4.37Å; I191-M229 HydrophobicContact CG2-CE 3.75Å
192V98.8Very high94.1Very high10 Ų1033 Ų336%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-110-8.8-173.9-62.30000113.9K150 L151 V152 M229 H230 L231K150-V192 HydrophobicContact CB-CG1 3.85Å; K150-V192 HydrophobicContact CB-CG2 3.86Å; K150-V192 HydrophobicContact CD-CG1 3.81Å; K150-V192 HydrophobicContact CG-CG1 4.25Å; L151-V192 WeakPolarHBondContact O-CG2 3.33Å; L151-V192 PolarHBondContact O-N 3.09Å; V152-V192 HydrophobicContact CG2-CG2 4.12Å; V192-M229 CarbonylContact O-C 3.52Å; V192-M229 VanDerWaalsContact O-CA 3.28Å; V192-M229 WeakPolarHBondContact O-CA 3.33Å; V192-H230 PolarHBondContact O-N 2.83Å; V192-L231 PolarHBondContact O-N 3.04Å; V192-L231 VanDerWaalsContact O-N 3.1Å
193G98.8Very high93.3Very high0 Ų034.2 Ų34.20%018%0.184CC..EExtended strand (participates in β ladder)trans-178.9-178.4-171.300000115L153 L231L153-G193 PolarHBondContact N-O 3.13Å; G193-L231 CarbonylContact C-O 3.46Å; G193-L231 WeakPolarHBondContact CA-O 3.28Å
194V98.9Very high92.8Very high0 Ų032.8 Ų32.80%018%0.181CC..EExtended strand (participates in β ladder)trans-127.3139.3178.3-178.80000108.9L153 I155 A215 V218 F219 M229 L231 D233L153-V194 CarbonylContact O-C 3.4Å; L153-V194 VanDerWaalsContact O-CA 3.26Å; L153-V194 WeakPolarHBondContact O-CA 3.39Å; L153-V194 WeakPolarHBondContact O-CG1 3.41Å; I155-V194 HydrophobicContact CD1-CG1 4.06Å; I155-V194 HydrophobicContact CG1-CG1 4.02Å; I155-V194 HydrophobicContact CG2-CG1 3.82Å; V194-A215 HydrophobicContact CB-CB 4.28Å; V194-A215 HydrophobicContact CG1-CB 3.86Å; V194-V218 HydrophobicContact CG2-CB 3.94Å; V194-V218 HydrophobicContact CG2-CG1 3.55Å; V194-F219 HydrophobicContact CB-CD2 4.1Å; V194-F219 HydrophobicContact CB-CE2 3.78Å; V194-F219 HydrophobicContact CG2-CD2 3.58Å; V194-F219 HydrophobicContact CG2-CE2 3.7Å; V194-M229 HydrophobicContact CG2-SD 4.22Å; V194-L231 PolarHBondContact N-O 3.33Å; V194-L231 VanDerWaalsContact N-O 3.09Å; V194-D233 PolarHBondContact O-N 3.31Å
195S98.9Very high92.5Very high2 Ų234 Ų341%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-121.9157169730000112L153 R154 I155 D233L153-S195 PolarHBondContact O-N 3.23Å; R154-S195 CarbonylContact C-O 3.54Å; R154-S195 VanDerWaalsContact CA-O 3.26Å; R154-S195 WeakPolarHBondContact CA-O 3.38Å; I155-S195 PolarHBondContact N-O 3.31Å; S195-D233 CarbonylContact C-O 3.51Å; S195-D233 VanDerWaalsContact CA-O 3.23Å; S195-D233 WeakPolarHBondContact CA-O 3.41Å
196F98.4Very high92.3Very high1 Ų134 Ų340%0.00419%0.191CC..  trans-146.7168.6168.961.9-103000110.2I155 T157 V198 F208 A211 I212 A215 L232 D233 I234 G235I155-F196 HydrophobicContact CD1-CB 4.43Å; I155-F196 HydrophobicContact CG1-CB 3.8Å; T157-F196 HydrophobicContact CG2-CB 3.68Å; T157-F196 HydrophobicContact CG2-CD2 4.08Å; T157-F196 HydrophobicContact CG2-CG 4.17Å; F196-V198 HydrophobicContact CD2-CG1 4.09Å; F196-V198 HydrophobicContact CE2-CG1 4.06Å; F196-F208 AromaticContact CE2-CD1 3.92Å; F196-F208 HydrophobicContact CE2-CD1 3.92Å; F196-F208 HydrophobicContact CE2-CE1 4.37Å; F196-F208 HydrophobicContact CZ-CD1 4.48Å; F196-A211 HydrophobicContact CB-CB 4.41Å; F196-A211 HydrophobicContact CD1-CB 3.9Å; F196-A211 HydrophobicContact CD2-CB 3.52Å; F196-A211 HydrophobicContact CE1-CB 3.95Å; F196-A211 HydrophobicContact CE2-CB 3.59Å; F196-A211 HydrophobicContact CG-CB 3.69Å; F196-A211 HydrophobicContact CZ-CB 3.8Å; F196-I212 HydrophobicContact CE1-CG1 4.07Å; F196-I212 HydrophobicContact CZ-CG1 3.78Å; F196-A215 HydrophobicContact CD1-CB 4.4Å; F196-L232 HydrophobicContact CE1-CD1 4.29Å; F196-D233 PolarHBondContact N-O 3.21Å; F196-D233 VanDerWaalsContact N-O 3.1Å; F196-I234 HydrophobicContact CE1-CB 4.3Å; F196-I234 HydrophobicContact CE1-CG2 4.1Å; F196-I234 HydrophobicContact CE2-CB 4.03Å; F196-I234 VanDerWaalsContact CE2-O 3.27Å; F196-I234 WeakPolarHBondContact CE2-O 3.41Å; F196-I234 HydrophobicContact CZ-CB 3.62Å; F196-I234 HydrophobicContact CZ-CG2 3.74Å; F196-I234 CarbonylContact O-C 3.31Å; F196-G235 WeakPolarHBondContact O-CA 3.43Å; F196-G235 PolarHBondContact O-N 3.16Å
197H96.1Very high92.1Very high18 Ų1828.1 Ų28.18%0.08316%0.164CC..  trans-148.7116172.9-172-39.9000109.7T157 L166 G199T157-H197 PolarHBondContact OG1-O 2.82Å; T157-H197 VanDerWaalsContact OG1-O 3.08Å; L166-H197 HydrophobicContact CD1-CB 4.46Å; H197-G199 VanDerWaalsContact CE1-C 3.49Å; H197-G199 PolarHBondContact CE1-O 3.3Å; H197-G199 PolarHBondContact ND1-N 2.97Å; H197-G199 VanDerWaalsContact ND1-N 3.1Å; H197-G199 PolarHBondContact O-N 3.49Å
198V90.8Very high92Very high0 Ų025.8 Ų25.80%015%0.152CC..  trans-74.317.3-173.5-56.70000115.1T157 A162 F196 C202 T207 F208T157-V198 HydrophobicContact CG2-CG1 4.45Å; A162-V198 WeakPolarHBondContact CB-O 3.34Å; F196-V198 HydrophobicContact CD2-CG1 4.09Å; F196-V198 HydrophobicContact CE2-CG1 4.06Å; V198-C202 HydrophobicContact CG2-CB 3.88Å; V198-T207 HydrophobicContact CB-CG2 3.78Å; V198-T207 HydrophobicContact CG1-CG2 3.73Å; V198-F208 HydrophobicContact CB-CE2 4.42Å; V198-F208 HydrophobicContact CB-CZ 4.39Å; V198-F208 HydrophobicContact CG1-CD1 3.85Å; V198-F208 HydrophobicContact CG1-CD2 4.21Å; V198-F208 HydrophobicContact CG1-CE1 3.99Å; V198-F208 HydrophobicContact CG1-CE2 4.36Å; V198-F208 HydrophobicContact CG1-CG 3.97Å; V198-F208 HydrophobicContact CG1-CZ 4.25Å; V198-F208 HydrophobicContact CG2-CD1 4.37Å; V198-F208 HydrophobicContact CG2-CD2 4.04Å; V198-F208 HydrophobicContact CG2-CE1 3.78Å; V198-F208 HydrophobicContact CG2-CE2 3.41Å; V198-F208 VanDerWaalsContact CG2-CE2 3.41Å; V198-F208 HydrophobicContact CG2-CG 4.49Å; V198-F208 HydrophobicContact CG2-CZ 3.26Å
199G79.2Confident92Very high0 Ų020.2 Ų20.20%012%0.123CC..  trans76164.6-168.200000114.5C164 H197 G237C164-G199 VanDerWaalsContact O-CA 3.31Å; C164-G199 WeakPolarHBondContact O-CA 3.47Å; H197-G199 VanDerWaalsContact CE1-C 3.49Å; H197-G199 PolarHBondContact CE1-O 3.3Å; H197-G199 PolarHBondContact ND1-N 2.97Å; H197-G199 VanDerWaalsContact ND1-N 3.1Å; H197-G199 PolarHBondContact O-N 3.49Å; G199-G237 VanDerWaalsContact O-CA 3.23Å; G199-G237 WeakPolarHBondContact O-CA 3.46Å
200S78.5Confident91.9Very high12 Ų1225 Ų258%0.08415%0.145CC..EExtended strand (participates in β ladder)trans-86.7138.5175.5173.90000110.6V163 C164 R277V163-S200 WeakPolarHBondContact CB-O 3.39Å; V163-S200 PolarHBondContact N-O 3.04Å; C164-S200 PolarHBondContact N-O 3.11Å; C164-S200 PolarHBondContact O-N 3.39Å; S200-R277 PolarHBondContact OG-NE 2.88Å; S200-R277 PolarHBondContact OG-NH2 3.49Å
201G72.9Confident91.9Very high25 Ų2523.4 Ų23.426%0.25813%0.132SC..EExtended strand (participates in β ladder)trans67.543.1-17700000111.6V163 T203V163-G201 PolarHBondContact N-O 3.33Å; G201-T203 PolarHBondContact O-N 3.17Å
202C79.6Confident91.9Very high9 Ų923.2 Ų23.26%0.06113%0.131CC..EExtended strand (participates in β ladder)trans-59.9131175.4-171.50000109.5V198 D204 L246V198-C202 HydrophobicContact CG2-CB 3.88Å; C202-D204 PolarHBondContact SG-O 3Å; C202-L246 WeakPolarHBondContact O-CD2 3.49Å
203T81.1Confident91.9Very high91 Ų9124.1 Ų24.156%0.55814%0.138SC*.SBendtrans-105.8-1.1-179.1600000113.5K161 G201K161-T203 PolarHBondContact O-N 2.96Å; K161-T203 PolarHBondContact O-OG1 2.98Å; G201-T203 PolarHBondContact O-N 3.17Å
204D88.9Confident91.9Very high36 Ų3625.9 Ų25.919%0.19315%0.147CC..  trans-130.2106.7179.1-174.1-0.9000110.5K161 C202 E206 T207K161-D204 HydrophobicContact CB-CB 4.29Å; K161-D204 HydrophobicContact CD-CB 3.51Å; K161-D204 WeakPolarHBondContact CD-OD2 3.09Å; K161-D204 IonicContact NZ-OD2 2.8Å; K161-D204 PolarHBondContact NZ-OD2 3.1Å; C202-D204 PolarHBondContact SG-O 3Å; D204-E206 PolarHBondContact O-N 2.88Å; D204-E206 WeakPolarHBondContact OD1-CB 3.26Å; D204-E206 PolarHBondContact OD1-N 3.38Å; D204-T207 WeakPolarHBondContact O-CB 3.34Å; D204-T207 PolarHBondContact O-N 3.12Å; D204-T207 PolarHBondContact O-OG1 3.19Å
205P92.1Very high91.9Very high25 Ų2525.9 Ų25.916%0.16215%0.147CC..THydrogen-bonded Turntrans-68.9-19.3-175.332.2-37000112.7T207 F208 L246 I251 V254P205-T207 PolarHBondContact O-N 2.86Å; P205-F208 WeakPolarHBondContact O-CB 3.12Å; P205-F208 PolarHBondContact O-N 3.2Å; P205-F208 VanDerWaalsContact O-N 3.09Å; P205-L246 HydrophobicContact CB-CD2 4.3Å; P205-L246 HydrophobicContact CG-CD1 4.17Å; P205-L246 HydrophobicContact CG-CD2 4.44Å; P205-I251 HydrophobicContact CB-CG1 4.34Å; P205-V254 HydrophobicContact CB-CG2 3.67Å
206E94.2Very high91.9Very high107 Ų10728.4 Ų28.450%0.516%0.156SC..Hα-helixtrans-64.4-22.2176.4-68-60.7138.900112.9D204 F208 V209 Q210D204-E206 PolarHBondContact O-N 2.88Å; D204-E206 WeakPolarHBondContact OD1-CB 3.26Å; D204-E206 PolarHBondContact OD1-N 3.38Å; E206-F208 PolarHBondContact O-N 3.44Å; E206-V209 WeakPolarHBondContact O-CB 3.49Å; E206-V209 PolarHBondContact O-N 3.29Å; E206-Q210 PolarHBondContact O-N 3.08Å
207T94Very high91.9Very high11 Ų1130.6 Ų30.67%0.06717%0.171CC..Hα-helixtrans-58.2-35.4172.9-60.90000111.7D158 V198 D204 P205 A211D158-T207 WeakPolarHBondContact O-CG2 3.37Å; D158-T207 PolarHBondContact O-OG1 3.34Å; V198-T207 HydrophobicContact CB-CG2 3.78Å; V198-T207 HydrophobicContact CG1-CG2 3.73Å; D204-T207 WeakPolarHBondContact O-CB 3.34Å; D204-T207 PolarHBondContact O-N 3.12Å; D204-T207 PolarHBondContact O-OG1 3.19Å; P205-T207 PolarHBondContact O-N 2.86Å; T207-A211 WeakPolarHBondContact O-CB 3.27Å; T207-A211 PolarHBondContact O-N 3.34Å
208F96.9Very high92Very high1 Ų129.8 Ų29.80%0.00417%0.167CC..Hα-helixtrans-66.5-42.4173.9-79.8-84.4000111.7F196 V198 P205 E206 Q210 A211 I212 F238 I251 I255F196-F208 AromaticContact CE2-CD1 3.92Å; F196-F208 HydrophobicContact CE2-CD1 3.92Å; F196-F208 HydrophobicContact CE2-CE1 4.37Å; F196-F208 HydrophobicContact CZ-CD1 4.48Å; V198-F208 HydrophobicContact CB-CE2 4.42Å; V198-F208 HydrophobicContact CB-CZ 4.39Å; V198-F208 HydrophobicContact CG1-CD1 3.85Å; V198-F208 HydrophobicContact CG1-CD2 4.21Å; V198-F208 HydrophobicContact CG1-CE1 3.99Å; V198-F208 HydrophobicContact CG1-CE2 4.36Å; V198-F208 HydrophobicContact CG1-CG 3.97Å; V198-F208 HydrophobicContact CG1-CZ 4.25Å; V198-F208 HydrophobicContact CG2-CD1 4.37Å; V198-F208 HydrophobicContact CG2-CD2 4.04Å; V198-F208 HydrophobicContact CG2-CE1 3.78Å; V198-F208 HydrophobicContact CG2-CE2 3.41Å; V198-F208 VanDerWaalsContact CG2-CE2 3.41Å; V198-F208 HydrophobicContact CG2-CG 4.49Å; V198-F208 HydrophobicContact CG2-CZ 3.26Å; P205-F208 WeakPolarHBondContact O-CB 3.12Å; P205-F208 PolarHBondContact O-N 3.2Å; P205-F208 VanDerWaalsContact O-N 3.09Å; E206-F208 PolarHBondContact O-N 3.44Å; F208-Q210 VanDerWaalsContact C-N 3.34Å; F208-Q210 PolarHBondContact O-N 3.29Å; F208-A211 PolarHBondContact O-N 2.8Å; F208-I212 WeakPolarHBondContact O-CB 3.44Å; F208-I212 WeakPolarHBondContact O-CD1 3.49Å; F208-I212 VanDerWaalsContact O-CG1 3.22Å; F208-I212 WeakPolarHBondContact O-CG1 3.34Å; F208-I212 PolarHBondContact O-N 3.06Å; F208-F238 HydrophobicContact CE1-CE1 4.22Å; F208-F238 AromaticContact CE1-CZ 3.98Å; F208-F238 HydrophobicContact CE1-CZ 3.98Å; F208-F238 HydrophobicContact CZ-CD1 4.44Å; F208-F238 AromaticContact CZ-CE1 3.91Å; F208-F238 HydrophobicContact CZ-CE1 3.91Å; F208-F238 HydrophobicContact CZ-CZ 4Å; F208-I251 HydrophobicContact CD2-CG2 3.77Å; F208-I251 HydrophobicContact CE2-CG2 3.52Å; F208-I251 HydrophobicContact CZ-CG2 4.18Å; F208-I255 HydrophobicContact CB-CD1 4.18Å; F208-I255 HydrophobicContact CB-CG1 3.77Å; F208-I255 HydrophobicContact CD1-CD1 3.62Å; F208-I255 HydrophobicContact CD1-CG1 4.11Å; F208-I255 HydrophobicContact CD2-CD1 4.15Å; F208-I255 HydrophobicContact CE1-CD1 3.94Å; F208-I255 HydrophobicContact CE2-CD1 4.4Å; F208-I255 HydrophobicContact CG-CD1 3.74Å; F208-I255 HydrophobicContact CG-CG1 3.91Å; F208-I255 HydrophobicContact CZ-CD1 4.3Å
209V97.9Very high92.4Very high32 Ų3230.1 Ų30.119%0.19417%0.169CC..Hα-helixtrans-60.8-46.2-179.7-179.20000110.4E206 I212 S213 V254 A258E206-V209 WeakPolarHBondContact O-CB 3.49Å; E206-V209 PolarHBondContact O-N 3.29Å; V209-I212 PolarHBondContact O-N 2.88Å; V209-S213 PolarHBondContact O-N 2.79Å; V209-V254 HydrophobicContact CG2-CB 4.09Å; V209-V254 HydrophobicContact CG2-CG2 4.07Å; V209-A258 HydrophobicContact CB-CB 4.5Å; V209-A258 HydrophobicContact CG1-CB 4.2Å; V209-A258 HydrophobicContact CG2-CB 4.29Å
210Q97.4Very high93.3Very high106 Ų10633.6 Ų33.650%0.49519%0.188SC..Hα-helixtrans-62.6-45.1176.3-174.160.254.600111.6E206 F208 I212 S213 D214E206-Q210 PolarHBondContact O-N 3.08Å; F208-Q210 VanDerWaalsContact C-N 3.34Å; F208-Q210 PolarHBondContact O-N 3.29Å; Q210-I212 VanDerWaalsContact C-N 3.34Å; Q210-I212 PolarHBondContact O-N 2.92Å; Q210-S213 WeakPolarHBondContact O-CB 3.48Å; Q210-S213 PolarHBondContact O-N 2.98Å; Q210-S213 VanDerWaalsContact O-N 3.15Å; Q210-D214 PolarHBondContact NE2-OD1 3.1Å; Q210-D214 PolarHBondContact O-N 3.1Å
211A97.9Very high94.3Very high1 Ų134.5 Ų34.51%0.00819%0.191CC..Hα-helixtrans-63.7-37.6179.700000112.9T157 F196 T207 F208 D214 A215T157-A211 HydrophobicContact CG2-CB 3.7Å; F196-A211 HydrophobicContact CB-CB 4.41Å; F196-A211 HydrophobicContact CD1-CB 3.9Å; F196-A211 HydrophobicContact CD2-CB 3.52Å; F196-A211 HydrophobicContact CE1-CB 3.95Å; F196-A211 HydrophobicContact CE2-CB 3.59Å; F196-A211 HydrophobicContact CG-CB 3.69Å; F196-A211 HydrophobicContact CZ-CB 3.8Å; T207-A211 WeakPolarHBondContact O-CB 3.27Å; T207-A211 PolarHBondContact O-N 3.34Å; F208-A211 PolarHBondContact O-N 2.8Å; A211-D214 PolarHBondContact O-N 3Å; A211-A215 WeakPolarHBondContact O-CB 3.4Å; A211-A215 PolarHBondContact O-N 3.13Å
212I98.8Very high95.5Very high0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-63.7-43.7172.9-68.5164.2000110.3F196 F208 V209 Q210 A215 R216 I255 A258 L259 Y262 F263F196-I212 HydrophobicContact CE1-CG1 4.07Å; F196-I212 HydrophobicContact CZ-CG1 3.78Å; F208-I212 WeakPolarHBondContact O-CB 3.44Å; F208-I212 WeakPolarHBondContact O-CD1 3.49Å; F208-I212 VanDerWaalsContact O-CG1 3.22Å; F208-I212 WeakPolarHBondContact O-CG1 3.34Å; F208-I212 PolarHBondContact O-N 3.06Å; V209-I212 PolarHBondContact O-N 2.88Å; Q210-I212 VanDerWaalsContact C-N 3.34Å; Q210-I212 PolarHBondContact O-N 2.92Å; I212-A215 PolarHBondContact O-N 2.98Å; I212-R216 PolarHBondContact O-N 2.86Å; I212-I255 HydrophobicContact CD1-CG2 4.26Å; I212-A258 HydrophobicContact CB-CB 4.47Å; I212-A258 HydrophobicContact CD1-CB 3.79Å; I212-A258 HydrophobicContact CG2-CB 4.26Å; I212-L259 HydrophobicContact CD1-CD2 3.83Å; I212-L259 HydrophobicContact CD1-CG 4.2Å; I212-L259 HydrophobicContact CG1-CD2 4.15Å; I212-L259 HydrophobicContact CG2-CD2 4.21Å; I212-Y262 HydrophobicContact CG2-CD2 3.81Å; I212-Y262 HydrophobicContact CG2-CG 4.16Å; I212-F263 HydrophobicContact CG2-CD2 3.92Å; I212-F263 HydrophobicContact CG2-CE2 3.89Å; I212-F263 WeakPolarHBondContact O-CE2 3.35Å
213S98.6Very high96.4Very high30 Ų3035.9 Ų35.921%0.2120%0.2CC..Hα-helixtrans-61.9-43.2175.8-173.60000112.1V209 Q210 R216 C217 Y262V209-S213 PolarHBondContact O-N 2.79Å; Q210-S213 WeakPolarHBondContact O-CB 3.48Å; Q210-S213 PolarHBondContact O-N 2.98Å; Q210-S213 VanDerWaalsContact O-N 3.15Å; S213-R216 WeakPolarHBondContact O-CB 3.27Å; S213-R216 PolarHBondContact O-N 3.26Å; S213-C217 PolarHBondContact O-N 3.02Å; S213-Y262 WeakPolarHBondContact OG-CE1 3.35Å; S213-Y262 PolarHBondContact OG-OH 3Å
214D98.6Very high97.2Very high36 Ų3638.2 Ų38.219%0.19321%0.205CC..Hα-helixtrans-67.4-39.2178.6-71.6-10.8000111.4I155 L174 Q210 A211 R216 C217 V218I155-D214 HydrophobicContact CD1-CB 3.85Å; L174-D214 HydrophobicContact CD2-CB 4.12Å; Q210-D214 PolarHBondContact NE2-OD1 3.1Å; Q210-D214 PolarHBondContact O-N 3.1Å; A211-D214 PolarHBondContact O-N 3Å; D214-R216 VanDerWaalsContact C-N 3.32Å; D214-R216 PolarHBondContact O-N 3.44Å; D214-C217 WeakPolarHBondContact O-CB 3.17Å; D214-C217 PolarHBondContact O-N 3.28Å; D214-V218 PolarHBondContact O-N 3.44Å; D214-V218 VanDerWaalsContact O-N 3.12Å
215A98.8Very high97.7Very high0 Ų038.1 Ų38.10%020%0.204CC..Hα-helixtrans-59.2-43.7173.100000111.1I155 V194 F196 A211 I212 C217 V218 F219 L232 F263I155-A215 HydrophobicContact CD1-CB 4.15Å; V194-A215 HydrophobicContact CB-CB 4.28Å; V194-A215 HydrophobicContact CG1-CB 3.86Å; F196-A215 HydrophobicContact CD1-CB 4.4Å; A211-A215 WeakPolarHBondContact O-CB 3.4Å; A211-A215 PolarHBondContact O-N 3.13Å; I212-A215 PolarHBondContact O-N 2.98Å; A215-C217 VanDerWaalsContact C-N 3.29Å; A215-C217 PolarHBondContact O-N 3.02Å; A215-V218 PolarHBondContact O-N 3.02Å; A215-V218 VanDerWaalsContact O-N 3.08Å; A215-F219 VanDerWaalsContact O-CD2 3.31Å; A215-F219 WeakPolarHBondContact O-CD2 3.35Å; A215-F219 PolarHBondContact O-N 3.37Å; A215-L232 HydrophobicContact CB-CD1 3.67Å; A215-F263 HydrophobicContact CB-CE2 4.41Å; A215-F263 HydrophobicContact CB-CZ 4.16Å
216R98.7Very high98Very high56 Ų5639.5 Ų39.521%0.21122%0.223CC..Hα-helixtrans-56.4-43.9175.3-178.864.4-97.7173-8.7111.9I212 S213 D214 V218 F219 D220 Y262 F263I212-R216 PolarHBondContact O-N 2.86Å; S213-R216 WeakPolarHBondContact O-CB 3.27Å; S213-R216 PolarHBondContact O-N 3.26Å; D214-R216 VanDerWaalsContact C-N 3.32Å; D214-R216 PolarHBondContact O-N 3.44Å; R216-V218 VanDerWaalsContact C-N 3.3Å; R216-V218 PolarHBondContact O-N 3.31Å; R216-F219 VanDerWaalsContact NH2-CB 3.26Å; R216-F219 WeakPolarHBondContact O-CB 3.35Å; R216-F219 PolarHBondContact O-N 2.95Å; R216-D220 IonicContact CZ-OD1 3.58Å; R216-D220 IonicContact NE-OD1 2.77Å; R216-D220 PolarHBondContact NE-OD1 2.82Å; R216-D220 IonicContact NE-OD2 2.93Å; R216-D220 IonicContact NH2-OD1 3.26Å; R216-D220 PolarHBondContact NH2-OD1 3.28Å; R216-D220 VanDerWaalsContact O-CG 3.26Å; R216-D220 PolarHBondContact O-N 3.16Å; R216-Y262 HydrophobicContact CB-CD1 4.03Å; R216-Y262 HydrophobicContact CB-CG 4.47Å; R216-Y262 WeakPolarHBondContact CD-O 3.5Å; R216-Y262 HydrophobicContact CG-CD1 4.08Å; R216-F263 HydrophobicContact CB-CE2 4.16Å; R216-F263 HydrophobicContact CB-CZ 4Å
217C98.7Very high98.2Very high47 Ų4735.4 Ų35.432%0.31820%0.203SC..Hα-helixtrans-58.8-42176.6-171.10000111.8S213 D214 A215 D220 M221S213-C217 PolarHBondContact O-N 3.02Å; D214-C217 WeakPolarHBondContact O-CB 3.17Å; D214-C217 PolarHBondContact O-N 3.28Å; A215-C217 VanDerWaalsContact C-N 3.29Å; A215-C217 PolarHBondContact O-N 3.02Å; C217-D220 PolarHBondContact O-N 3.16Å; C217-M221 WeakPolarHBondContact O-CG 3.26Å; C217-M221 PolarHBondContact O-N 2.99Å; C217-M221 VanDerWaalsContact SG-CE 3.51Å
218V98.8Very high98.3Very high0 Ų041.5 Ų41.50%024%0.236CC..Hα-helixtrans-69.8-35.8176.8176.50000112.6L153 I155 L174 L181 V194 D214 A215 R216 D220 M221 G222L153-V218 HydrophobicContact CD2-CG1 3.84Å; I155-V218 HydrophobicContact CG2-CG2 4.02Å; L174-V218 HydrophobicContact CD2-CG2 3.56Å; L181-V218 HydrophobicContact CD1-CG1 4.18Å; V194-V218 HydrophobicContact CG2-CB 3.94Å; V194-V218 HydrophobicContact CG2-CG1 3.55Å; D214-V218 PolarHBondContact O-N 3.44Å; D214-V218 VanDerWaalsContact O-N 3.12Å; A215-V218 PolarHBondContact O-N 3.02Å; A215-V218 VanDerWaalsContact O-N 3.08Å; R216-V218 VanDerWaalsContact C-N 3.3Å; R216-V218 PolarHBondContact O-N 3.31Å; V218-D220 VanDerWaalsContact C-N 3.3Å; V218-D220 PolarHBondContact O-N 3.08Å; V218-M221 PolarHBondContact O-N 3.25Å; V218-G222 PolarHBondContact O-N 2.62Å
219F98.8Very high98.4Very high7 Ų742 Ų423%0.03124%0.238CC..Hα-helixtrans-60.1-40.8171.3-90.6-108.3000111.7V194 A215 R216 G222 A223 M229 L231 L232 F263 I269V194-F219 HydrophobicContact CB-CD2 4.1Å; V194-F219 HydrophobicContact CB-CE2 3.78Å; V194-F219 HydrophobicContact CG2-CD2 3.58Å; V194-F219 HydrophobicContact CG2-CE2 3.7Å; A215-F219 VanDerWaalsContact O-CD2 3.31Å; A215-F219 WeakPolarHBondContact O-CD2 3.35Å; A215-F219 PolarHBondContact O-N 3.37Å; R216-F219 VanDerWaalsContact NH2-CB 3.26Å; R216-F219 WeakPolarHBondContact O-CB 3.35Å; R216-F219 PolarHBondContact O-N 2.95Å; F219-G222 PolarHBondContact O-N 2.84Å; F219-A223 PolarHBondContact O-N 3.19Å; F219-M229 HydrophobicContact CB-SD 4.43Å; F219-M229 HydrophobicContact CD1-CB 3.44Å; F219-M229 VanDerWaalsContact CD1-CB 3.44Å; F219-M229 HydrophobicContact CD1-CG 4.44Å; F219-M229 HydrophobicContact CD1-SD 4.19Å; F219-M229 HydrophobicContact CD2-SD 4.33Å; F219-M229 HydrophobicContact CE1-CB 3.41Å; F219-M229 VanDerWaalsContact CE1-CB 3.41Å; F219-M229 HydrophobicContact CG-CB 4.23Å; F219-M229 HydrophobicContact CG-SD 4.04Å; F219-M229 HydrophobicContact CZ-CB 4.2Å; F219-L231 VanDerWaalsContact CZ-O 3.26Å; F219-L231 WeakPolarHBondContact CZ-O 3.45Å; F219-L232 HydrophobicContact CE2-CB 4.44Å; F219-L232 HydrophobicContact CE2-CD1 4.27Å; F219-L232 HydrophobicContact CZ-CB 4.29Å; F219-F263 HydrophobicContact CD1-CE1 4.1Å; F219-F263 AromaticContact CD2-CE1 3.7Å; F219-F263 HydrophobicContact CD2-CE1 3.7Å; F219-F263 AromaticContact CD2-CZ 3.87Å; F219-F263 HydrophobicContact CD2-CZ 3.87Å; F219-F263 HydrophobicContact CE1-CE1 4.14Å; F219-F263 AromaticContact CE2-CE1 3.71Å; F219-F263 HydrophobicContact CE2-CE1 3.71Å; F219-F263 AromaticContact CE2-CZ 3.95Å; F219-F263 HydrophobicContact CE2-CZ 3.95Å; F219-F263 AromaticContact CG-CE1 3.88Å; F219-F263 HydrophobicContact CG-CE1 3.88Å; F219-F263 HydrophobicContact CG-CZ 4.41Å; F219-F263 AromaticContact CZ-CE1 3.93Å; F219-F263 HydrophobicContact CZ-CE1 3.93Å; F219-I269 HydrophobicContact CD1-CD1 4.31Å; F219-I269 HydrophobicContact CE1-CD1 3.64Å; F219-I269 HydrophobicContact CZ-CD1 4.47Å
220D98.7Very high98.4Very high74 Ų7444.7 Ų44.740%0.39625%0.248SC..Hα-helixtrans-64.8-45.3177.3-61-23.1000111.2R216 C217 V218 G222 A223 E224R216-D220 IonicContact CZ-OD1 3.58Å; R216-D220 IonicContact NE-OD1 2.77Å; R216-D220 PolarHBondContact NE-OD1 2.82Å; R216-D220 IonicContact NE-OD2 2.93Å; R216-D220 IonicContact NH2-OD1 3.26Å; R216-D220 PolarHBondContact NH2-OD1 3.28Å; R216-D220 VanDerWaalsContact O-CG 3.26Å; R216-D220 PolarHBondContact O-N 3.16Å; C217-D220 PolarHBondContact O-N 3.16Å; V218-D220 VanDerWaalsContact C-N 3.3Å; V218-D220 PolarHBondContact O-N 3.08Å; D220-G222 PolarHBondContact O-N 2.62Å; D220-A223 PolarHBondContact O-N 3.03Å; D220-A223 VanDerWaalsContact O-N 3.14Å; D220-E224 WeakPolarHBondContact O-CG 3.33Å; D220-E224 PolarHBondContact O-N 2.93Å; D220-E224 VanDerWaalsContact O-N 3.1Å
221M98.8Very high98.5Very high31 Ų3139.9 Ų39.915%0.15323%0.226CC..Hα-helixtrans-57.9-37.4172.2-64.9-179.8-157.900112.2L174 R178 L181 C217 V218 L225L174-M221 HydrophobicContact CB-CE 4.45Å; R178-M221 HydrophobicContact CB-SD 3.82Å; R178-M221 PolarHBondContact NH1-O 3.37Å; L181-M221 HydrophobicContact CD1-CB 3.85Å; C217-M221 WeakPolarHBondContact O-CG 3.26Å; C217-M221 PolarHBondContact O-N 2.99Å; C217-M221 VanDerWaalsContact SG-CE 3.51Å; V218-M221 PolarHBondContact O-N 3.25Å; M221-L225 PolarHBondContact O-N 3.21Å
222G98.7Very high98.5Very high0 Ų039.9 Ų39.90%023%0.226CC..Hα-helixtrans-63.8-44.8175.900000112.3V218 F219 D220 E224 L225 G226 F227V218-G222 PolarHBondContact O-N 2.62Å; F219-G222 PolarHBondContact O-N 2.84Å; D220-G222 PolarHBondContact O-N 2.62Å; G222-E224 PolarHBondContact O-N 2.92Å; G222-L225 CarbonylContact O-C 3.58Å; G222-L225 PolarHBondContact O-N 2.95Å; G222-L225 VanDerWaalsContact O-N 3.15Å; G222-G226 PolarHBondContact O-N 2.88Å; G222-F227 WeakPolarHBondContact O-CB 3.31Å; G222-F227 WeakPolarHBondContact O-CD2 3.43Å; G222-F227 PolarHBondContact O-N 3.34Å
223A98.4Very high98.5Very high62 Ų6239.9 Ų39.951%0.51223%0.226SC..Hα-helixtrans-62.3-40.8178.700000112.2F219 D220 L225 G226F219-A223 PolarHBondContact O-N 3.19Å; D220-A223 PolarHBondContact O-N 3.03Å; D220-A223 VanDerWaalsContact O-N 3.14Å; A223-L225 PolarHBondContact O-N 2.82Å; A223-G226 WeakPolarHBondContact O-CA 3.38Å; A223-G226 PolarHBondContact O-N 3.32Å
224E98.6Very high98.5Very high141 Ų14138.4 Ų38.466%0.65922%0.216SC*.Hα-helixtrans-57.6-33.7174.1-68.5172.2-173.400113.1R178 D220 G222 G226R178-E224 IonicContact CZ-OE2 3.24Å; R178-E224 IonicContact NH1-OE2 2.9Å; R178-E224 PolarHBondContact NH1-OE2 2.9Å; D220-E224 WeakPolarHBondContact O-CG 3.33Å; D220-E224 PolarHBondContact O-N 2.93Å; D220-E224 VanDerWaalsContact O-N 3.1Å; G222-E224 PolarHBondContact O-N 2.92Å; E224-G226 VanDerWaalsContact C-N 3.3Å
225L98.3Very high98.5Very high34 Ų3436.7 Ų36.718%0.17821%0.207CC..THydrogen-bonded Turntrans-89.13.1178-66.1167.8000112.7L181 E182 K185 M221 G222 A223 F227L181-L225 HydrophobicContact CB-CD1 3.45Å; L181-L225 VanDerWaalsContact CB-CD1 3.45Å; E182-L225 HydrophobicContact CG-CD1 3.86Å; E182-L225 HydrophobicContact CG-CD2 3.92Å; K185-L225 VanDerWaalsContact CE-O 3.31Å; K185-L225 WeakPolarHBondContact CE-O 3.41Å; K185-L225 PolarHBondContact NZ-O 2.69Å; M221-L225 PolarHBondContact O-N 3.21Å; G222-L225 CarbonylContact O-C 3.58Å; G222-L225 PolarHBondContact O-N 2.95Å; G222-L225 VanDerWaalsContact O-N 3.15Å; A223-L225 PolarHBondContact O-N 2.82Å; L225-F227 HydrophobicContact CB-CD2 3.9Å; L225-F227 HydrophobicContact CB-CE2 3.92Å; L225-F227 HydrophobicContact CD1-CE2 4.44Å
226G98.1Very high98.3Very high53 Ų5336.8 Ų36.855%0.54621%0.207SC..THydrogen-bonded Turntrans75.128.4178.800000114.2G222 A223 E224G222-G226 PolarHBondContact O-N 2.88Å; A223-G226 WeakPolarHBondContact O-CA 3.38Å; A223-G226 PolarHBondContact O-N 3.32Å; E224-G226 VanDerWaalsContact C-N 3.3Å
227F98.4Very high98Very high21 Ų2134.6 Ų34.69%0.09220%0.202CC..  trans-84135.4165.8-65.5-72.6000110.3L181 A184 K185 L189 I191 G222 L225 M229L181-F227 HydrophobicContact CB-CE2 4.08Å; L181-F227 HydrophobicContact CD2-CD2 4.23Å; L181-F227 HydrophobicContact CD2-CE2 4.18Å; L181-F227 WeakPolarHBondContact O-CE2 3.42Å; L181-F227 WeakPolarHBondContact O-CZ 3.14Å; A184-F227 HydrophobicContact CB-CZ 4.16Å; K185-F227 HydrophobicContact CB-CE2 4.39Å; K185-F227 HydrophobicContact CB-CZ 3.98Å; K185-F227 HydrophobicContact CD-CE1 4.38Å; K185-F227 HydrophobicContact CD-CE2 4.46Å; K185-F227 HydrophobicContact CD-CZ 4.03Å; L189-F227 WeakPolarHBondContact O-CE1 3.13Å; I191-F227 HydrophobicContact CB-CD1 3.95Å; I191-F227 HydrophobicContact CB-CE1 4.03Å; I191-F227 HydrophobicContact CB-CG 4.34Å; I191-F227 HydrophobicContact CB-CZ 4.46Å; I191-F227 HydrophobicContact CG1-CD1 4.28Å; I191-F227 HydrophobicContact CG1-CE1 3.82Å; I191-F227 HydrophobicContact CG1-CZ 3.94Å; G222-F227 WeakPolarHBondContact O-CB 3.31Å; G222-F227 WeakPolarHBondContact O-CD2 3.43Å; G222-F227 PolarHBondContact O-N 3.34Å; L225-F227 HydrophobicContact CB-CD2 3.9Å; L225-F227 HydrophobicContact CB-CE2 3.92Å; L225-F227 HydrophobicContact CD1-CE2 4.44Å; F227-M229 HydrophobicContact CB-CE 4.35Å; F227-M229 HydrophobicContact CB-CG 4.23Å; F227-M229 PolarHBondContact O-N 2.9Å
228N96.7Very high97.9Very high140 Ų14032.5 Ų32.575%0.74919%0.188SC*.  trans-98.177.2171.2-173.331.5000109.7H230N228-H230 PolarHBondContact O-ND1 3.06Å
229M98.6Very high97.7Very high12 Ų1233.3 Ų33.36%0.05919%0.193CC..  trans-73.5134.4179.1-65.3-178.7-174.400110.6L181 I191 V192 V194 F219 F227 I269L181-M229 HydrophobicContact CD1-CE 4.24Å; L181-M229 HydrophobicContact CD2-CE 3.37Å; L181-M229 HydrophobicContact CG-CE 4.46Å; I191-M229 HydrophobicContact CB-CE 4.37Å; I191-M229 HydrophobicContact CG2-CE 3.75Å; V192-M229 CarbonylContact O-C 3.52Å; V192-M229 VanDerWaalsContact O-CA 3.28Å; V192-M229 WeakPolarHBondContact O-CA 3.33Å; V194-M229 HydrophobicContact CG2-SD 4.22Å; F219-M229 HydrophobicContact CB-SD 4.43Å; F219-M229 HydrophobicContact CD1-CB 3.44Å; F219-M229 VanDerWaalsContact CD1-CB 3.44Å; F219-M229 HydrophobicContact CD1-CG 4.44Å; F219-M229 HydrophobicContact CD1-SD 4.19Å; F219-M229 HydrophobicContact CD2-SD 4.33Å; F219-M229 HydrophobicContact CE1-CB 3.41Å; F219-M229 VanDerWaalsContact CE1-CB 3.41Å; F219-M229 HydrophobicContact CG-CB 4.23Å; F219-M229 HydrophobicContact CG-SD 4.04Å; F219-M229 HydrophobicContact CZ-CB 4.2Å; F227-M229 HydrophobicContact CB-CE 4.35Å; F227-M229 HydrophobicContact CB-CG 4.23Å; F227-M229 PolarHBondContact O-N 2.9Å; M229-I269 WeakPolarHBondContact O-CD1 3.22Å
230H98.3Very high97.6Very high88 Ų8833.1 Ų33.141%0.40719%0.193SC..  trans-141.68.8-173.956-86.7000113.1V192 N228 N270V192-H230 PolarHBondContact O-N 2.83Å; N228-H230 PolarHBondContact O-ND1 3.06Å; H230-N270 PolarHBondContact O-N 2.72Å
231L98.8Very high97.4Very high5 Ų530.6 Ų30.63%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-128.7118.3-179.5-175.669.8000110.8M130 V152 V192 G193 V194 F219 N270 I272M130-L231 HydrophobicContact SD-CD2 3.84Å; V152-L231 HydrophobicContact CG2-CD2 3.7Å; V192-L231 PolarHBondContact O-N 3.04Å; V192-L231 VanDerWaalsContact O-N 3.1Å; G193-L231 CarbonylContact C-O 3.46Å; G193-L231 WeakPolarHBondContact CA-O 3.28Å; V194-L231 PolarHBondContact N-O 3.33Å; V194-L231 VanDerWaalsContact N-O 3.09Å; F219-L231 VanDerWaalsContact CZ-O 3.26Å; F219-L231 WeakPolarHBondContact CZ-O 3.45Å; L231-N270 WeakPolarHBondContact CA-O 3.49Å; L231-N270 HydrophobicContact CD1-CB 4.2Å; L231-I272 HydrophobicContact CD1-CD1 4.19Å; L231-I272 HydrophobicContact CD1-CG1 4.14Å; L231-I272 HydrophobicContact CD1-CG2 3.85Å; L231-I272 HydrophobicContact CD2-CD1 4.45Å
232L98.9Very high97Very high0 Ų032.8 Ų32.80%019%0.191CC..EExtended strand (participates in β ladder)trans-107.2130.5166.5176.467.3000108.7F196 A215 F219 I234 L259 F263 I269 N270 I271 I272F196-L232 HydrophobicContact CE1-CD1 4.29Å; A215-L232 HydrophobicContact CB-CD1 3.67Å; F219-L232 HydrophobicContact CE2-CB 4.44Å; F219-L232 HydrophobicContact CE2-CD1 4.27Å; F219-L232 HydrophobicContact CZ-CB 4.29Å; L232-I234 HydrophobicContact CD2-CG2 4.09Å; L232-I234 HydrophobicContact CG-CG2 4.12Å; L232-L259 HydrophobicContact CD2-CD2 3.74Å; L232-F263 HydrophobicContact CD1-CE2 4.24Å; L232-F263 HydrophobicContact CD1-CZ 4.14Å; L232-F263 HydrophobicContact CD2-CD2 3.54Å; L232-F263 HydrophobicContact CD2-CE2 3.58Å; L232-F263 HydrophobicContact CD2-CG 4.02Å; L232-F263 HydrophobicContact CD2-CZ 4.09Å; L232-F263 HydrophobicContact CG-CE2 4.49Å; L232-I269 HydrophobicContact CB-CG2 4Å; L232-N270 PolarHBondContact N-O 3.27Å; L232-I271 HydrophobicContact CB-CG1 4.46Å; L232-I271 HydrophobicContact CB-CG2 4.47Å; L232-I271 HydrophobicContact CD2-CG2 4.27Å; L232-I271 HydrophobicContact CG-CG2 4.45Å; L232-I271 CarbonylContact O-C 3.05Å; L232-I271 VanDerWaalsContact O-CA 3.32Å; L232-I271 WeakPolarHBondContact O-CA 3.46Å; L232-I272 PolarHBondContact O-N 2.74Å
233D98.9Very high96.6Very high0 Ų035.7 Ų35.70%021%0.206CC..EExtended strand (participates in β ladder)trans-119114.4174.6177.50.1000110V194 S195 F196 G235 I272 E274V194-D233 PolarHBondContact O-N 3.31Å; S195-D233 CarbonylContact C-O 3.51Å; S195-D233 VanDerWaalsContact CA-O 3.23Å; S195-D233 WeakPolarHBondContact CA-O 3.41Å; F196-D233 PolarHBondContact N-O 3.21Å; F196-D233 VanDerWaalsContact N-O 3.1Å; D233-G235 VanDerWaalsContact C-N 3.28Å; D233-G235 PolarHBondContact O-N 3.15Å; D233-G235 PolarHBondContact OD1-N 3.14Å; D233-I272 WeakPolarHBondContact CA-O 3.18Å; D233-I272 HydrophobicContact CB-CD1 3.97Å; D233-I272 HydrophobicContact CB-CG1 3.55Å; D233-E274 VanDerWaalsContact OD2-OE1 3.05Å
234I98.7Very high96.2Very high0 Ų035.1 Ų35.10%020%0.197CC..  trans-87.53.7-176.169.2173.4000113.4V62 F196 L232 F238 I255 L259 I271 I272 A273V62-I234 HydrophobicContact CG1-CD1 4.01Å; V62-I234 HydrophobicContact CG1-CG1 4.34Å; V62-I234 HydrophobicContact CG2-CD1 4.34Å; F196-I234 HydrophobicContact CE1-CB 4.3Å; F196-I234 HydrophobicContact CE1-CG2 4.1Å; F196-I234 HydrophobicContact CE2-CB 4.03Å; F196-I234 VanDerWaalsContact CE2-O 3.27Å; F196-I234 WeakPolarHBondContact CE2-O 3.41Å; F196-I234 HydrophobicContact CZ-CB 3.62Å; F196-I234 HydrophobicContact CZ-CG2 3.74Å; F196-I234 CarbonylContact O-C 3.31Å; L232-I234 HydrophobicContact CD2-CG2 4.09Å; L232-I234 HydrophobicContact CG-CG2 4.12Å; I234-F238 HydrophobicContact CD1-CZ 4.09Å; I234-I255 HydrophobicContact CD1-CD1 4.41Å; I234-I255 HydrophobicContact CD1-CG2 4.2Å; I234-L259 HydrophobicContact CG2-CD2 4.35Å; I234-I271 HydrophobicContact CG2-CG2 4.17Å; I234-I272 PolarHBondContact N-O 3.37Å; I234-A273 HydrophobicContact CD1-CB 4.14Å; I234-A273 HydrophobicContact CG1-CB 3.57Å
235G97.8Very high95.9Very high0 Ų038.3 Ų38.30%021%0.208CC..  trans66.2-153.6175.300000114.3F196 D233 A273 E274F196-G235 WeakPolarHBondContact O-CA 3.43Å; F196-G235 PolarHBondContact O-N 3.16Å; D233-G235 VanDerWaalsContact C-N 3.28Å; D233-G235 PolarHBondContact O-N 3.15Å; D233-G235 PolarHBondContact OD1-N 3.14Å; G235-A273 WeakPolarHBondContact O-CB 3.35Å; G235-E274 PolarHBondContact O-N 3.24Å
236G95.7Very high95.6Very high1 Ų138 Ų381%0.0121%0.207CC..  trans-112.2-155.8-178.200000113.6E274G236-E274 WeakPolarHBondContact CA-O 3.42Å
237G91.6Very high95.5Very high11 Ų1138.6 Ų38.611%0.11319%0.194CC..  trans108.5-8.817700000115.2G199G199-G237 VanDerWaalsContact O-CA 3.23Å; G199-G237 WeakPolarHBondContact O-CA 3.46Å
238F96.3Very high95.4Very high3 Ų337.7 Ų37.71%0.01319%0.19CC..  trans-62.2139.6177.4-51.3-79000112.3W55 L59 F208 I234 F248 I251 I255 A273 P275 Y278W55-F238 AromaticContact CH2-CD2 3.96Å; W55-F238 HydrophobicContact CH2-CD2 3.96Å; W55-F238 AromaticContact CH2-CE2 3.59Å; W55-F238 HydrophobicContact CH2-CE2 3.59Å; W55-F238 AromaticContact CH2-CZ 3.96Å; W55-F238 HydrophobicContact CH2-CZ 3.96Å; W55-F238 AromaticContact CZ3-CD2 3.78Å; W55-F238 HydrophobicContact CZ3-CD2 3.78Å; W55-F238 AromaticContact CZ3-CE2 3.9Å; W55-F238 HydrophobicContact CZ3-CE2 3.9Å; W55-F238 HydrophobicContact CZ3-CG 4.17Å; W55-F238 HydrophobicContact CZ3-CZ 4.35Å; L59-F238 HydrophobicContact CD1-CE1 4.36Å; L59-F238 HydrophobicContact CD1-CZ 4.42Å; F208-F238 HydrophobicContact CE1-CE1 4.22Å; F208-F238 AromaticContact CE1-CZ 3.98Å; F208-F238 HydrophobicContact CE1-CZ 3.98Å; F208-F238 HydrophobicContact CZ-CD1 4.44Å; F208-F238 AromaticContact CZ-CE1 3.91Å; F208-F238 HydrophobicContact CZ-CE1 3.91Å; F208-F238 HydrophobicContact CZ-CZ 4Å; I234-F238 HydrophobicContact CD1-CZ 4.09Å; F238-F248 HydrophobicContact CB-CD2 4.15Å; F238-F248 HydrophobicContact CB-CE2 4.38Å; F238-F248 AromaticContact CD1-CD2 3.98Å; F238-F248 HydrophobicContact CD1-CD2 3.98Å; F238-F248 AromaticContact CD1-CE2 3.86Å; F238-F248 HydrophobicContact CD1-CE2 3.86Å; F238-F248 HydrophobicContact CE1-CE2 4.48Å; F238-F248 HydrophobicContact CG-CD2 4.36Å; F238-F248 HydrophobicContact CG-CE2 4.22Å; F238-I251 HydrophobicContact CD1-CG2 4.04Å; F238-I251 HydrophobicContact CE1-CG2 3.93Å; F238-I255 HydrophobicContact CE1-CD1 3.77Å; F238-I255 HydrophobicContact CZ-CD1 4.23Å; F238-A273 HydrophobicContact CE2-CB 4.36Å; F238-P275 HydrophobicContact CD2-CB 4.26Å; F238-Y278 HydrophobicContact CB-CD2 4.2Å; F238-Y278 HydrophobicContact CB-CG 4.44Å
239P95.9Very high95.4Very high17 Ų1734.9 Ų34.911%0.1117%0.173CC..  trans-67.4147.3179.329.6-36000111.5V244 F248 I251 Y278P239-V244 HydrophobicContact CB-CB 4.49Å; P239-V244 HydrophobicContact CB-CG1 4.28Å; P239-V244 HydrophobicContact CB-CG2 3.7Å; P239-V244 HydrophobicContact CG-CG2 4.28Å; P239-F248 HydrophobicContact CG-CB 4.21Å; P239-I251 HydrophobicContact CG-CD1 4.38Å; P239-Y278 WeakPolarHBondContact O-CD2 3.19Å
240G96.1Very high95.3Very high3 Ų338.7 Ų38.73%0.03119%0.19CC..SBendtrans-105.5-2.4-179.300000115.7K51 R277 S282K51-G240 PolarHBondContact NZ-O 2.93Å; G240-R277 WeakPolarHBondContact CA-O 3.45Å; G240-S282 PolarHBondContact O-N 3.08Å; G240-S282 PolarHBondContact O-OG 3.43Å
241S94.1Very high95.3Very high21 Ų2134.6 Ų34.615%0.14717%0.171CC..SBendtrans-141.1166.4178.169.70000110.4D243 V244 N385S241-D243 VanDerWaalsContact C-N 3.25Å; S241-D243 PolarHBondContact OG-N 3.49Å; S241-V244 WeakPolarHBondContact O-CG2 3.34Å; S241-N385 WeakPolarHBondContact CB-OD1 3.47Å
242E91.3Very high95.2Very high76 Ų7634.7 Ų34.736%0.35517%0.172SC..SBendtrans-81.6-2.4171.2-62.9-57.214100112.3R54 V244 K247R54-E242 IonicContact CZ-OE1 2.62Å; R54-E242 VanDerWaalsContact CZ-OE1 3.25Å; R54-E242 IonicContact NH1-OE1 3.8Å; R54-E242 PolarHBondContact NH1-OE1 3.41Å; R54-E242 IonicContact NH2-OE1 2.97Å; R54-E242 PolarHBondContact NH2-OE1 2.85Å; E242-V244 PolarHBondContact O-N 3.45Å; E242-V244 VanDerWaalsContact O-N 3.09Å; E242-K247 PolarHBondContact O-NZ 3.3Å
243D89.8Confident95.1Very high61 Ų6138.1 Ų38.133%0.32620%0.196SC..SBendtrans-89.350.2179.3-170.828.9000111.9S241 K337S241-D243 VanDerWaalsContact C-N 3.25Å; S241-D243 PolarHBondContact OG-N 3.49Å; D243-K337 IonicContact OD1-NZ 3.61Å; D243-K337 PolarHBondContact OD1-NZ 3.07Å; D243-K337 VanDerWaalsContact OD2-CE 3.32Å; D243-K337 WeakPolarHBondContact OD2-CE 2.99Å; D243-K337 IonicContact OD2-NZ 2.73Å; D243-K337 PolarHBondContact OD2-NZ 3.2Å
244V90.4Very high95.1Very high51 Ų5139.7 Ų39.731%0.30921%0.206SC..SBendtrans-138.8155.1179.7-63.40000110.3P239 S241 E242 L246 K247P239-V244 HydrophobicContact CB-CB 4.49Å; P239-V244 HydrophobicContact CB-CG1 4.28Å; P239-V244 HydrophobicContact CB-CG2 3.7Å; P239-V244 HydrophobicContact CG-CG2 4.28Å; S241-V244 WeakPolarHBondContact O-CG2 3.34Å; E242-V244 PolarHBondContact O-N 3.45Å; E242-V244 VanDerWaalsContact O-N 3.09Å; V244-L246 WeakPolarHBondContact CG2-O 3.33Å; V244-K247 HydrophobicContact CG2-CD 4.22Å; V244-K247 PolarHBondContact O-NZ 3.1Å
245K90.9Very high95.1Very high208 Ų20839.7 Ų39.790%0.90421%0.206SC*.SBendtrans-70.3-45.3177.7-174.5179.8177.6-175.90112.5
246L92.1Very high95.1Very high27 Ų2741.5 Ų41.514%0.14122%0.215CC..SBendtrans-99.1113.4179.7-177.565.9000109.3C202 P205 V244 E250 I251C202-L246 WeakPolarHBondContact O-CD2 3.49Å; P205-L246 HydrophobicContact CB-CD2 4.3Å; P205-L246 HydrophobicContact CG-CD1 4.17Å; P205-L246 HydrophobicContact CG-CD2 4.44Å; V244-L246 WeakPolarHBondContact CG2-O 3.33Å; L246-E250 HydrophobicContact CD1-CB 3.81Å; L246-I251 HydrophobicContact CD1-CG1 4.33Å; L246-I251 HydrophobicContact CD2-CD1 3.9Å; L246-I251 HydrophobicContact CD2-CG1 3.65Å; L246-I251 HydrophobicContact CG-CD1 4.08Å; L246-I251 HydrophobicContact CG-CG1 3.78Å
247K95.6Very high95.3Very high65 Ų6545 Ų4528%0.28324%0.238SC..  trans-80.7164.4-178.3-54.8-53.4-169.4-1610112.1E242 V244 E250 I251E242-K247 PolarHBondContact O-NZ 3.3Å; V244-K247 HydrophobicContact CG2-CD 4.22Å; V244-K247 PolarHBondContact O-NZ 3.1Å; K247-E250 HydrophobicContact CB-CG 4.25Å; K247-E250 WeakPolarHBondContact CB-OE2 3.47Å; K247-E250 WeakPolarHBondContact CG-OE2 3.36Å; K247-E250 PolarHBondContact N-OE2 2.84Å; K247-E250 PolarHBondContact O-N 3.33Å; K247-I251 PolarHBondContact O-N 3.25Å
248F96.9Very high95.6Very high3 Ų344.7 Ų44.71%0.01324%0.235CC..Hα-helixtrans-59.4-50.5177.6175.9-118.7000112.2R54 W55 A58 L59 F238 P239 E250 I251 T252 Y278R54-F248 HydrophobicContact CG-CD1 4.2Å; R54-F248 HydrophobicContact CG-CE1 4.14Å; W55-F248 HydrophobicContact CD2-CZ 4.48Å; W55-F248 AromaticContact CE3-CE2 3.97Å; W55-F248 HydrophobicContact CE3-CE2 3.97Å; W55-F248 AromaticContact CE3-CZ 3.81Å; W55-F248 HydrophobicContact CE3-CZ 3.81Å; W55-F248 HydrophobicContact CZ3-CE2 4Å; W55-F248 HydrophobicContact CZ3-CZ 4.28Å; A58-F248 HydrophobicContact CB-CD1 4.26Å; A58-F248 HydrophobicContact CB-CE1 3.43Å; A58-F248 VanDerWaalsContact CB-CE1 3.43Å; A58-F248 HydrophobicContact CB-CZ 3.96Å; L59-F248 HydrophobicContact CD1-CE2 4.35Å; L59-F248 HydrophobicContact CD1-CZ 4.28Å; F238-F248 HydrophobicContact CB-CD2 4.15Å; F238-F248 HydrophobicContact CB-CE2 4.38Å; F238-F248 AromaticContact CD1-CD2 3.98Å; F238-F248 HydrophobicContact CD1-CD2 3.98Å; F238-F248 AromaticContact CD1-CE2 3.86Å; F238-F248 HydrophobicContact CD1-CE2 3.86Å; F238-F248 HydrophobicContact CE1-CE2 4.48Å; F238-F248 HydrophobicContact CG-CD2 4.36Å; F238-F248 HydrophobicContact CG-CE2 4.22Å; P239-F248 HydrophobicContact CG-CB 4.21Å; F248-E250 VanDerWaalsContact C-N 3.27Å; F248-E250 PolarHBondContact O-N 3.46Å; F248-I251 WeakPolarHBondContact O-CB 3.31Å; F248-I251 PolarHBondContact O-N 2.9Å; F248-I251 VanDerWaalsContact O-N 3.1Å; F248-T252 HydrophobicContact CD1-CG2 4.36Å; F248-T252 HydrophobicContact CD2-CG2 3.92Å; F248-T252 HydrophobicContact CE1-CG2 4Å; F248-T252 HydrophobicContact CE2-CG2 3.5Å; F248-T252 VanDerWaalsContact CE2-CG2 3.5Å; F248-T252 HydrophobicContact CG-CG2 4.34Å; F248-T252 HydrophobicContact CZ-CG2 3.55Å; F248-T252 WeakPolarHBondContact O-CG2 3.46Å; F248-T252 PolarHBondContact O-N 3.02Å; F248-Y278 HydrophobicContact CB-CE2 4.33Å; F248-Y278 AromaticContact CD1-CE2 3.69Å; F248-Y278 HydrophobicContact CD1-CE2 3.69Å; F248-Y278 AromaticContact CD2-CD2 3.86Å; F248-Y278 HydrophobicContact CD2-CD2 3.86Å; F248-Y278 AromaticContact CD2-CE2 3.55Å; F248-Y278 HydrophobicContact CD2-CE2 3.55Å; F248-Y278 AromaticContact CE1-CE2 3.73Å; F248-Y278 HydrophobicContact CE1-CE2 3.73Å; F248-Y278 AromaticContact CE1-CZ 3.85Å; F248-Y278 WeakPolarHBondContact CE1-OH 3.45Å; F248-Y278 HydrophobicContact CE2-CD2 4.02Å; F248-Y278 AromaticContact CE2-CE2 3.62Å; F248-Y278 HydrophobicContact CE2-CE2 3.62Å; F248-Y278 HydrophobicContact CG-CD2 4.23Å; F248-Y278 AromaticContact CG-CE2 3.58Å; F248-Y278 HydrophobicContact CG-CE2 3.58Å; F248-Y278 AromaticContact CZ-CE2 3.71Å; F248-Y278 HydrophobicContact CZ-CE2 3.71Å; F248-Y278 AromaticContact CZ-CZ 3.82Å
249E97.1Very high95.7Very high80 Ų8044.6 Ų44.637%0.37423%0.234SC..Hα-helixtrans-64.9-31-177.1-74.674.2-169.200112.9R54 I251 T252 S253R54-E249 IonicContact CZ-OE1 2.67Å; R54-E249 VanDerWaalsContact CZ-OE1 3.29Å; R54-E249 IonicContact CZ-OE2 3.2Å; R54-E249 IonicContact NE-OE1 2.87Å; R54-E249 PolarHBondContact NE-OE1 2.82Å; R54-E249 IonicContact NE-OE2 3.89Å; R54-E249 VanDerWaalsContact NH2-CD 3.3Å; R54-E249 IonicContact NH2-OE1 2.63Å; R54-E249 PolarHBondContact NH2-OE1 3.02Å; R54-E249 VanDerWaalsContact NH2-OE1 3.16Å; R54-E249 IonicContact NH2-OE2 2.75Å; R54-E249 PolarHBondContact NH2-OE2 3.13Å; E249-I251 VanDerWaalsContact C-N 3.35Å; E249-T252 WeakPolarHBondContact CA-OG1 3.47Å; E249-T252 PolarHBondContact O-N 3.42Å; E249-T252 PolarHBondContact O-OG1 3.31Å; E249-S253 WeakPolarHBondContact O-CB 3.32Å; E249-S253 PolarHBondContact O-N 2.98Å
250E96.5Very high95.8Very high92 Ų9247.8 Ų47.843%0.4325%0.25SS..Hα-helixtrans-62.8-44.6174.2-65.8178.3104.100110.5L246 K247 F248 S253L246-E250 HydrophobicContact CD1-CB 3.81Å; K247-E250 HydrophobicContact CB-CG 4.25Å; K247-E250 WeakPolarHBondContact CB-OE2 3.47Å; K247-E250 WeakPolarHBondContact CG-OE2 3.36Å; K247-E250 PolarHBondContact N-OE2 2.84Å; K247-E250 PolarHBondContact O-N 3.33Å; F248-E250 VanDerWaalsContact C-N 3.27Å; F248-E250 PolarHBondContact O-N 3.46Å; E250-S253 PolarHBondContact O-N 3.26Å; E250-S253 PolarHBondContact O-OG 3.1Å
251I97.2Very high95.9Very high2 Ų254.7 Ų54.71%0.0128%0.279CS..Hα-helixtrans-63.3-48.9174.3-62.6168.2000110.9P205 F208 F238 P239 L246 K247 F248 E249 S253 V254 I255P205-I251 HydrophobicContact CB-CG1 4.34Å; F208-I251 HydrophobicContact CD2-CG2 3.77Å; F208-I251 HydrophobicContact CE2-CG2 3.52Å; F208-I251 HydrophobicContact CZ-CG2 4.18Å; F238-I251 HydrophobicContact CD1-CG2 4.04Å; F238-I251 HydrophobicContact CE1-CG2 3.93Å; P239-I251 HydrophobicContact CG-CD1 4.38Å; L246-I251 HydrophobicContact CD1-CG1 4.33Å; L246-I251 HydrophobicContact CD2-CD1 3.9Å; L246-I251 HydrophobicContact CD2-CG1 3.65Å; L246-I251 HydrophobicContact CG-CD1 4.08Å; L246-I251 HydrophobicContact CG-CG1 3.78Å; K247-I251 PolarHBondContact O-N 3.25Å; F248-I251 WeakPolarHBondContact O-CB 3.31Å; F248-I251 PolarHBondContact O-N 2.9Å; F248-I251 VanDerWaalsContact O-N 3.1Å; E249-I251 VanDerWaalsContact C-N 3.35Å; I251-S253 VanDerWaalsContact C-N 3.25Å; I251-S253 PolarHBondContact O-N 3.44Å; I251-V254 VanDerWaalsContact O-CG2 3.27Å; I251-V254 WeakPolarHBondContact O-CG2 3.5Å; I251-V254 PolarHBondContact O-N 3.4Å; I251-I255 HydrophobicContact CG2-CD1 3.57Å; I251-I255 HydrophobicContact CG2-CG1 4.31Å; I251-I255 WeakPolarHBondContact O-CG1 3.39Å; I251-I255 PolarHBondContact O-N 3.06Å; I251-I255 VanDerWaalsContact O-N 3.17Å
252T97.8Very high96.1Very high7 Ų756 Ų564%0.04328%0.282CS..Hα-helixtrans-67.1-29.5-176.963.50000112.2A58 L59 F248 E249 V254 I255 N256A58-T252 HydrophobicContact CB-CG2 4.02Å; L59-T252 HydrophobicContact CD1-CG2 3.82Å; L59-T252 HydrophobicContact CD2-CG2 3.8Å; L59-T252 HydrophobicContact CG-CG2 3.55Å; F248-T252 HydrophobicContact CD1-CG2 4.36Å; F248-T252 HydrophobicContact CD2-CG2 3.92Å; F248-T252 HydrophobicContact CE1-CG2 4Å; F248-T252 HydrophobicContact CE2-CG2 3.5Å; F248-T252 VanDerWaalsContact CE2-CG2 3.5Å; F248-T252 HydrophobicContact CG-CG2 4.34Å; F248-T252 HydrophobicContact CZ-CG2 3.55Å; F248-T252 WeakPolarHBondContact O-CG2 3.46Å; F248-T252 PolarHBondContact O-N 3.02Å; E249-T252 WeakPolarHBondContact CA-OG1 3.47Å; E249-T252 PolarHBondContact O-N 3.42Å; E249-T252 PolarHBondContact O-OG1 3.31Å; T252-V254 VanDerWaalsContact C-N 3.26Å; T252-V254 PolarHBondContact O-N 3.15Å; T252-I255 PolarHBondContact O-N 3.43Å; T252-N256 PolarHBondContact O-N 3.42Å; T252-N256 PolarHBondContact O-ND2 3.44Å
253S97.6Very high96.5Very high72 Ų7252.4 Ų52.450%0.50327%0.265SS..Hα-helixtrans-62.9-28.5177.678.90000113.7E249 E250 I251 P257E249-S253 WeakPolarHBondContact O-CB 3.32Å; E249-S253 PolarHBondContact O-N 2.98Å; E250-S253 PolarHBondContact O-N 3.26Å; E250-S253 PolarHBondContact O-OG 3.1Å; I251-S253 VanDerWaalsContact C-N 3.25Å; I251-S253 PolarHBondContact O-N 3.44Å; S253-P257 WeakPolarHBondContact O-CD 3.46Å; S253-P257 WeakPolarHBondContact O-CG 3.24Å
254V97.9Very high96.8Very high33 Ų3351.8 Ų51.820%0.226%0.264CS..Hα-helixtrans-93.2-28.8175.2-52.10000112.4P205 V209 I251 T252 A258P205-V254 HydrophobicContact CB-CG2 3.67Å; V209-V254 HydrophobicContact CG2-CB 4.09Å; V209-V254 HydrophobicContact CG2-CG2 4.07Å; I251-V254 VanDerWaalsContact O-CG2 3.27Å; I251-V254 WeakPolarHBondContact O-CG2 3.5Å; I251-V254 PolarHBondContact O-N 3.4Å; T252-V254 VanDerWaalsContact C-N 3.26Å; T252-V254 PolarHBondContact O-N 3.15Å; V254-A258 PolarHBondContact O-N 3.3Å
255I98.4Very high96.8Very high0 Ų055.7 Ų55.70%028%0.282CS..Hα-helixtrans-65.2-49.3176.9-72.4174000110.6L59 F208 I212 I234 F238 I251 T252 A258 L259L59-I255 HydrophobicContact CD2-CB 4.38Å; L59-I255 HydrophobicContact CD2-CG2 3.89Å; F208-I255 HydrophobicContact CB-CD1 4.18Å; F208-I255 HydrophobicContact CB-CG1 3.77Å; F208-I255 HydrophobicContact CD1-CD1 3.62Å; F208-I255 HydrophobicContact CD1-CG1 4.11Å; F208-I255 HydrophobicContact CD2-CD1 4.15Å; F208-I255 HydrophobicContact CE1-CD1 3.94Å; F208-I255 HydrophobicContact CE2-CD1 4.4Å; F208-I255 HydrophobicContact CG-CD1 3.74Å; F208-I255 HydrophobicContact CG-CG1 3.91Å; F208-I255 HydrophobicContact CZ-CD1 4.3Å; I212-I255 HydrophobicContact CD1-CG2 4.26Å; I234-I255 HydrophobicContact CD1-CD1 4.41Å; I234-I255 HydrophobicContact CD1-CG2 4.2Å; F238-I255 HydrophobicContact CE1-CD1 3.77Å; F238-I255 HydrophobicContact CZ-CD1 4.23Å; I251-I255 HydrophobicContact CG2-CD1 3.57Å; I251-I255 HydrophobicContact CG2-CG1 4.31Å; I251-I255 WeakPolarHBondContact O-CG1 3.39Å; I251-I255 PolarHBondContact O-N 3.06Å; I251-I255 VanDerWaalsContact O-N 3.17Å; T252-I255 PolarHBondContact O-N 3.43Å; I255-A258 WeakPolarHBondContact O-CB 3.39Å; I255-A258 PolarHBondContact O-N 2.87Å; I255-A258 VanDerWaalsContact O-N 3.1Å; I255-L259 HydrophobicContact CG2-CD1 3.63Å; I255-L259 HydrophobicContact CG2-CG 3.88Å; I255-L259 WeakPolarHBondContact O-CG 3.31Å; I255-L259 PolarHBondContact O-N 2.91Å
256N98.5Very high96.9Very high38 Ų3852.5 Ų52.520%0.20328%0.275CS..Hα-helixtrans-57.4-50.5-174.1-74.7-35.4000112.8A58 T252 A258 L259 D260A58-N256 PolarHBondContact O-ND2 3.31Å; T252-N256 PolarHBondContact O-N 3.42Å; T252-N256 PolarHBondContact O-ND2 3.44Å; N256-A258 VanDerWaalsContact C-N 3.31Å; N256-A258 PolarHBondContact O-N 2.85Å; N256-L259 PolarHBondContact O-N 2.85Å; N256-D260 PolarHBondContact O-N 3.47Å
257P98.5Very high96.9Very high75 Ų7553.5 Ų53.549%0.48728%0.284SS..Hα-helixtrans-61.6-35.2175.3-23.734.3000113.7S253 D260 K261S253-P257 WeakPolarHBondContact O-CD 3.46Å; S253-P257 WeakPolarHBondContact O-CG 3.24Å; P257-D260 PolarHBondContact O-N 3.19Å; P257-K261 VanDerWaalsContact O-CB 3.31Å; P257-K261 WeakPolarHBondContact O-CB 3.45Å; P257-K261 PolarHBondContact O-N 2.75Å
258A98.6Very high96.7Very high5 Ų553.3 Ų53.34%0.04130%0.301CS..Hα-helixtrans-66.6-43.4175.800000111.2V209 I212 V254 I255 N256 D260 K261 Y262V209-A258 HydrophobicContact CB-CB 4.5Å; V209-A258 HydrophobicContact CG1-CB 4.2Å; V209-A258 HydrophobicContact CG2-CB 4.29Å; I212-A258 HydrophobicContact CB-CB 4.47Å; I212-A258 HydrophobicContact CD1-CB 3.79Å; I212-A258 HydrophobicContact CG2-CB 4.26Å; V254-A258 PolarHBondContact O-N 3.3Å; I255-A258 WeakPolarHBondContact O-CB 3.39Å; I255-A258 PolarHBondContact O-N 2.87Å; I255-A258 VanDerWaalsContact O-N 3.1Å; N256-A258 VanDerWaalsContact C-N 3.31Å; N256-A258 PolarHBondContact O-N 2.85Å; A258-D260 VanDerWaalsContact C-N 3.35Å; A258-D260 PolarHBondContact O-N 2.74Å; A258-K261 PolarHBondContact O-N 3.49Å; A258-Y262 HydrophobicContact CB-CD2 4.42Å; A258-Y262 WeakPolarHBondContact O-CB 3.19Å; A258-Y262 WeakPolarHBondContact O-CD2 3.49Å; A258-Y262 PolarHBondContact O-N 3.05Å
259L98.6Very high96.7Very high0 Ų054.5 Ų54.50%031%0.307CS..Hα-helixtrans-61.3-43174.1-66.8-179.3000111.4V62 I212 L232 I234 I255 N256 K261 F263 I271V62-L259 HydrophobicContact CG2-CD1 3.85Å; I212-L259 HydrophobicContact CD1-CD2 3.83Å; I212-L259 HydrophobicContact CD1-CG 4.2Å; I212-L259 HydrophobicContact CG1-CD2 4.15Å; I212-L259 HydrophobicContact CG2-CD2 4.21Å; L232-L259 HydrophobicContact CD2-CD2 3.74Å; I234-L259 HydrophobicContact CG2-CD2 4.35Å; I255-L259 HydrophobicContact CG2-CD1 3.63Å; I255-L259 HydrophobicContact CG2-CG 3.88Å; I255-L259 WeakPolarHBondContact O-CG 3.31Å; I255-L259 PolarHBondContact O-N 2.91Å; N256-L259 PolarHBondContact O-N 2.85Å; L259-K261 VanDerWaalsContact C-N 3.32Å; L259-K261 PolarHBondContact O-N 3.08Å; L259-F263 CarbonylContact O-C 3.44Å; L259-F263 VanDerWaalsContact O-CA 3.26Å; L259-F263 WeakPolarHBondContact O-CA 3.47Å; L259-F263 PolarHBondContact O-N 3.31Å; L259-I271 HydrophobicContact CB-CD1 4.43Å; L259-I271 HydrophobicContact CD1-CD1 4.1Å; L259-I271 HydrophobicContact CD1-CG2 4.35Å; L259-I271 HydrophobicContact CD2-CD1 4.12Å; L259-I271 HydrophobicContact CD2-CG2 4.43Å; L259-I271 HydrophobicContact CG-CD1 4.45Å
260D98.1Very high96.7Very high85 Ų8554.6 Ų54.646%0.45531%0.31SS..Hα-helixtrans-63.7-38.3177.6-67.4-19.5000112.2R61 N256 P257 A258R61-D260 IonicContact CZ-OD1 3Å; R61-D260 IonicContact NH1-OD1 2.68Å; R61-D260 PolarHBondContact NH1-OD1 3.46Å; N256-D260 PolarHBondContact O-N 3.47Å; P257-D260 PolarHBondContact O-N 3.19Å; A258-D260 VanDerWaalsContact C-N 3.35Å; A258-D260 PolarHBondContact O-N 2.74Å
261K98.5Very high96.8Very high148 Ų14850.3 Ų50.364%0.64329%0.29SS*.Hα-helixtrans-69.9-47.2178.7179.3-177.4175.6-1660113P257 A258 L259P257-K261 VanDerWaalsContact O-CB 3.31Å; P257-K261 WeakPolarHBondContact O-CB 3.45Å; P257-K261 PolarHBondContact O-N 2.75Å; A258-K261 PolarHBondContact O-N 3.49Å; L259-K261 VanDerWaalsContact C-N 3.32Å; L259-K261 PolarHBondContact O-N 3.08Å
262Y98.6Very high96.9Very high49 Ų4950.2 Ų50.219%0.19229%0.29CS..Hα-helixtrans-97.6-25-169.4-68.2-73000113.5I212 S213 R216 A258I212-Y262 HydrophobicContact CG2-CD2 3.81Å; I212-Y262 HydrophobicContact CG2-CG 4.16Å; S213-Y262 WeakPolarHBondContact OG-CE1 3.35Å; S213-Y262 PolarHBondContact OG-OH 3Å; R216-Y262 HydrophobicContact CB-CD1 4.03Å; R216-Y262 HydrophobicContact CB-CG 4.47Å; R216-Y262 WeakPolarHBondContact CD-O 3.5Å; R216-Y262 HydrophobicContact CG-CD1 4.08Å; A258-Y262 HydrophobicContact CB-CD2 4.42Å; A258-Y262 WeakPolarHBondContact O-CB 3.19Å; A258-Y262 WeakPolarHBondContact O-CD2 3.49Å; A258-Y262 PolarHBondContact O-N 3.05Å
263F98.3Very high97Very high0 Ų049.9 Ų49.90%029%0.288CS..SBendtrans-139.767-177.3-62.8-81.7000109.7R61 I212 A215 R216 F219 L232 L259 I269R61-F263 PolarHBondContact NH1-O 3.06Å; R61-F263 PolarHBondContact NH2-O 3.35Å; I212-F263 HydrophobicContact CG2-CD2 3.92Å; I212-F263 HydrophobicContact CG2-CE2 3.89Å; I212-F263 WeakPolarHBondContact O-CE2 3.35Å; A215-F263 HydrophobicContact CB-CE2 4.41Å; A215-F263 HydrophobicContact CB-CZ 4.16Å; R216-F263 HydrophobicContact CB-CE2 4.16Å; R216-F263 HydrophobicContact CB-CZ 4Å; F219-F263 HydrophobicContact CD1-CE1 4.1Å; F219-F263 AromaticContact CD2-CE1 3.7Å; F219-F263 HydrophobicContact CD2-CE1 3.7Å; F219-F263 AromaticContact CD2-CZ 3.87Å; F219-F263 HydrophobicContact CD2-CZ 3.87Å; F219-F263 HydrophobicContact CE1-CE1 4.14Å; F219-F263 AromaticContact CE2-CE1 3.71Å; F219-F263 HydrophobicContact CE2-CE1 3.71Å; F219-F263 AromaticContact CE2-CZ 3.95Å; F219-F263 HydrophobicContact CE2-CZ 3.95Å; F219-F263 AromaticContact CG-CE1 3.88Å; F219-F263 HydrophobicContact CG-CE1 3.88Å; F219-F263 HydrophobicContact CG-CZ 4.41Å; F219-F263 AromaticContact CZ-CE1 3.93Å; F219-F263 HydrophobicContact CZ-CE1 3.93Å; L232-F263 HydrophobicContact CD1-CE2 4.24Å; L232-F263 HydrophobicContact CD1-CZ 4.14Å; L232-F263 HydrophobicContact CD2-CD2 3.54Å; L232-F263 HydrophobicContact CD2-CE2 3.58Å; L232-F263 HydrophobicContact CD2-CG 4.02Å; L232-F263 HydrophobicContact CD2-CZ 4.09Å; L232-F263 HydrophobicContact CG-CE2 4.49Å; L259-F263 CarbonylContact O-C 3.44Å; L259-F263 VanDerWaalsContact O-CA 3.26Å; L259-F263 WeakPolarHBondContact O-CA 3.47Å; L259-F263 PolarHBondContact O-N 3.31Å; F263-I269 HydrophobicContact CD1-CG1 4.11Å; F263-I269 HydrophobicContact CD1-CG2 4.2Å
264P96.9Very high97Very high47 Ų4746.8 Ų46.831%0.30527%0.266SS..  trans-62.9158.3-175.528.4-37000112.3D266 S267P264-D266 VanDerWaalsContact CB-OD1 3.27Å; P264-D266 WeakPolarHBondContact CB-OD1 3.39Å; P264-D266 VanDerWaalsContact CG-OD1 3.27Å; P264-D266 WeakPolarHBondContact CG-OD1 3.45Å; P264-D266 PolarHBondContact O-N 2.89Å; P264-S267 VanDerWaalsContact O-CB 3.3Å; P264-S267 WeakPolarHBondContact O-CB 3.42Å; P264-S267 PolarHBondContact O-N 3Å; P264-S267 PolarHBondContact O-OG 3.38Å
265L91.3Very high97.1Very high133 Ų13345.3 Ų45.370%0.69626%0.256SS*.G310 helixtrans-56.7-34.1-174.3-78167000114.1R61 S267R61-L265 HydrophobicContact CG-CD2 4.17Å; L265-S267 PolarHBondContact O-N 2.9Å
266D92.7Very high97Very high141 Ų14145.5 Ų45.575%0.75426%0.259SS*.G310 helixtrans-73.6-11.4179.763.2-18.9000113.8P264 G268P264-D266 VanDerWaalsContact CB-OD1 3.27Å; P264-D266 WeakPolarHBondContact CB-OD1 3.39Å; P264-D266 VanDerWaalsContact CG-OD1 3.27Å; P264-D266 WeakPolarHBondContact CG-OD1 3.45Å; P264-D266 PolarHBondContact O-N 2.89Å; D266-G268 PolarHBondContact O-N 3.33Å
267S91.1Very high97Very high48 Ų4845.6 Ų45.634%0.33626%0.256SS..G310 helixtrans-72.7-10.5176.3680000114P264 L265 I269P264-S267 VanDerWaalsContact O-CB 3.3Å; P264-S267 WeakPolarHBondContact O-CB 3.42Å; P264-S267 PolarHBondContact O-N 3Å; P264-S267 PolarHBondContact O-OG 3.38Å; L265-S267 PolarHBondContact O-N 2.9Å; S267-I269 PolarHBondContact O-N 3.24Å; S267-I269 VanDerWaalsContact OG-CG1 3.25Å; S267-I269 WeakPolarHBondContact OG-CG1 3.49Å
268G91.8Very high97Very high62 Ų6242.1 Ų42.164%0.63923%0.233SC*.  trans69.116.2178.500000114.4D266D266-G268 PolarHBondContact O-N 3.33Å
269I97.1Very high97Very high27 Ų2741.9 Ų41.914%0.13823%0.232CC..  trans-78127.1-179.5-59.9-60.1000110.3F219 M229 L232 F263 S267 I271F219-I269 HydrophobicContact CD1-CD1 4.31Å; F219-I269 HydrophobicContact CE1-CD1 3.64Å; F219-I269 HydrophobicContact CZ-CD1 4.47Å; M229-I269 WeakPolarHBondContact O-CD1 3.22Å; L232-I269 HydrophobicContact CB-CG2 4Å; F263-I269 HydrophobicContact CD1-CG1 4.11Å; F263-I269 HydrophobicContact CD1-CG2 4.2Å; S267-I269 PolarHBondContact O-N 3.24Å; S267-I269 VanDerWaalsContact OG-CG1 3.25Å; S267-I269 WeakPolarHBondContact OG-CG1 3.49Å; I269-I271 HydrophobicContact CG2-CG1 4.1Å
270N97.8Very high97Very high82 Ų8241.9 Ų41.944%0.43923%0.232SC..EExtended strand (participates in β ladder)trans-80.9129167.1-171.919.2000109.2H230 L231 L232H230-N270 PolarHBondContact O-N 2.72Å; L231-N270 WeakPolarHBondContact CA-O 3.49Å; L231-N270 HydrophobicContact CD1-CB 4.2Å; L232-N270 PolarHBondContact N-O 3.27Å
271I98.8Very high97Very high2 Ų238.1 Ų38.11%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-113.8125.9-179.1-49172.4000108.3V62 T63 L232 I234 L259 I269V62-I271 WeakPolarHBondContact CA-O 3.2Å; V62-I271 HydrophobicContact CB-CG2 4.47Å; V62-I271 HydrophobicContact CG1-CG2 4.18Å; V62-I271 HydrophobicContact CG2-CB 4.42Å; V62-I271 HydrophobicContact CG2-CG2 3.9Å; T63-I271 PolarHBondContact N-O 2.66Å; L232-I271 HydrophobicContact CB-CG1 4.46Å; L232-I271 HydrophobicContact CB-CG2 4.47Å; L232-I271 HydrophobicContact CD2-CG2 4.27Å; L232-I271 HydrophobicContact CG-CG2 4.45Å; L232-I271 CarbonylContact O-C 3.05Å; L232-I271 VanDerWaalsContact O-CA 3.32Å; L232-I271 WeakPolarHBondContact O-CA 3.46Å; I234-I271 HydrophobicContact CG2-CG2 4.17Å; L259-I271 HydrophobicContact CB-CD1 4.43Å; L259-I271 HydrophobicContact CD1-CD1 4.1Å; L259-I271 HydrophobicContact CD1-CG2 4.35Å; L259-I271 HydrophobicContact CD2-CD1 4.12Å; L259-I271 HydrophobicContact CD2-CG2 4.43Å; L259-I271 HydrophobicContact CG-CD1 4.45Å; I269-I271 HydrophobicContact CG2-CG1 4.1Å
272I98.9Very high97Very high0 Ų032.2 Ų32.20%019%0.19CC..EExtended strand (participates in β ladder)trans-122.7168.317672169.6000110.1T63 F65 I109 L231 L232 D233 I234T63-I272 VanDerWaalsContact O-CA 3.23Å; T63-I272 WeakPolarHBondContact O-CA 3.37Å; F65-I272 HydrophobicContact CD2-CB 3.87Å; F65-I272 HydrophobicContact CD2-CD1 4.19Å; F65-I272 HydrophobicContact CD2-CG2 4.03Å; F65-I272 HydrophobicContact CE2-CB 4Å; F65-I272 HydrophobicContact CE2-CD1 4.32Å; F65-I272 HydrophobicContact CE2-CG2 3.61Å; F65-I272 HydrophobicContact CG-CD1 4.45Å; F65-I272 HydrophobicContact CZ-CG2 4.44Å; I109-I272 HydrophobicContact CD1-CD1 3.91Å; L231-I272 HydrophobicContact CD1-CD1 4.19Å; L231-I272 HydrophobicContact CD1-CG1 4.14Å; L231-I272 HydrophobicContact CD1-CG2 3.85Å; L231-I272 HydrophobicContact CD2-CD1 4.45Å; L232-I272 PolarHBondContact O-N 2.74Å; D233-I272 WeakPolarHBondContact CA-O 3.18Å; D233-I272 HydrophobicContact CB-CD1 3.97Å; D233-I272 HydrophobicContact CB-CG1 3.55Å; I234-I272 PolarHBondContact N-O 3.37Å
273A98.8Very high97Very high0 Ų030.1 Ų30.10%018%0.182CC..EExtended strand (participates in β ladder)trans-142.4165.8170.500000110.4W55 V62 T63 F65 I234 G235 F238 P275W55-A273 HydrophobicContact CH2-CB 3.57Å; W55-A273 HydrophobicContact CZ2-CB 3.54Å; V62-A273 HydrophobicContact CG1-CB 3.68Å; T63-A273 PolarHBondContact O-N 3.34Å; T63-A273 VanDerWaalsContact O-N 3.09Å; F65-A273 WeakPolarHBondContact CA-O 3.23Å; F65-A273 WeakPolarHBondContact CB-O 3.35Å; F65-A273 PolarHBondContact N-O 3.28Å; I234-A273 HydrophobicContact CD1-CB 4.14Å; I234-A273 HydrophobicContact CG1-CB 3.57Å; G235-A273 WeakPolarHBondContact O-CB 3.35Å; F238-A273 HydrophobicContact CE2-CB 4.36Å; A273-P275 WeakPolarHBondContact O-CD 3.39Å
274E98.7Very high97Very high8 Ų830.1 Ų30.14%0.03718%0.182CC..  trans-11553-178.9-56.9175.7158.300113.1F65 D88 A111 D233 G235 G236 G276F65-E274 CarbonylContact O-C 3.59Å; F65-E274 VanDerWaalsContact O-CA 3.25Å; F65-E274 WeakPolarHBondContact O-CA 3.2Å; D88-E274 HydrophobicContact CB-CB 4.32Å; D88-E274 HydrophobicContact CB-CG 4.12Å; A111-E274 WeakPolarHBondContact CB-OE1 3.49Å; D233-E274 VanDerWaalsContact OD2-OE1 3.05Å; G235-E274 PolarHBondContact O-N 3.24Å; G236-E274 WeakPolarHBondContact CA-O 3.42Å; E274-G276 PolarHBondContact O-N 3.09Å
275P98.3Very high97.1Very high1 Ų129.3 Ų29.31%0.00618%0.177CC..  trans-67.7118.6-178.829.2-36.7000112W55 P64 F65 Y66 A67 F238 A273 Y278 Y279W55-P275 HydrophobicContact CE3-CB 4.4Å; W55-P275 HydrophobicContact CE3-CG 4.33Å; W55-P275 HydrophobicContact CH2-CB 4.07Å; W55-P275 HydrophobicContact CH2-CG 3.84Å; W55-P275 HydrophobicContact CZ2-CG 4.34Å; W55-P275 HydrophobicContact CZ3-CB 3.73Å; W55-P275 HydrophobicContact CZ3-CG 3.85Å; P64-P275 HydrophobicContact CB-CG 3.87Å; F65-P275 WeakPolarHBondContact O-CD 3.33Å; Y66-P275 WeakPolarHBondContact CA-O 3.38Å; Y66-P275 WeakPolarHBondContact CD2-O 3.46Å; A67-P275 PolarHBondContact N-O 3.21Å; F238-P275 HydrophobicContact CD2-CB 4.26Å; A273-P275 WeakPolarHBondContact O-CD 3.39Å; P275-Y278 HydrophobicContact CB-CD1 4.43Å; P275-Y279 HydrophobicContact CB-CD2 4.08Å; P275-Y279 HydrophobicContact CB-CE2 4.09Å; P275-Y279 HydrophobicContact CG-CD2 4Å; P275-Y279 HydrophobicContact CG-CE2 3.57Å
276G98Very high97.5Very high5 Ų523 Ų235%0.05214%0.143CC..SBendtrans-97.5-81.2168.100000111.7C70 E274 Y278 Y279C70-G276 VanDerWaalsContact SG-C 3.51Å; E274-G276 PolarHBondContact O-N 3.09Å; G276-Y278 PolarHBondContact O-N 2.94Å; G276-Y278 VanDerWaalsContact O-N 3.13Å; G276-Y279 PolarHBondContact O-N 3.43Å; G276-Y279 VanDerWaalsContact O-N 3.15Å
277R97.7Very high97.8Very high40 Ų4016.3 Ų16.315%0.15111%0.108CC..Hα-helixtrans-50-40.6-175.9-178.5-172-43.6-70.2-6.3114.1C70 S200 G240 Y279 V280 A281 D332 A388 Y389C70-R277 PolarHBondContact SG-N 3.41Å; S200-R277 PolarHBondContact OG-NE 2.88Å; S200-R277 PolarHBondContact OG-NH2 3.49Å; G240-R277 WeakPolarHBondContact CA-O 3.45Å; R277-Y279 PolarHBondContact O-N 2.85Å; R277-Y279 VanDerWaalsContact O-N 3.16Å; R277-V280 PolarHBondContact O-N 3.43Å; R277-V280 VanDerWaalsContact O-N 3.14Å; R277-A281 HydrophobicContact CG-CB 3.84Å; R277-A281 WeakPolarHBondContact O-CB 3.36Å; R277-A281 PolarHBondContact O-N 2.93Å; R277-D332 IonicContact CZ-OD1 2.59Å; R277-D332 IonicContact CZ-OD2 2.71Å; R277-D332 VanDerWaalsContact CZ-OD2 3.24Å; R277-D332 IonicContact NH1-OD1 3.86Å; R277-D332 IonicContact NH1-OD2 3.96Å; R277-D332 PolarHBondContact NH1-OD2 3.49Å; R277-D332 VanDerWaalsContact NH2-CG 3.29Å; R277-D332 IonicContact NH2-OD1 3.86Å; R277-D332 PolarHBondContact NH2-OD1 3.35Å; R277-D332 IonicContact NH2-OD2 2.82Å; R277-D332 PolarHBondContact NH2-OD2 3.05Å; R277-A388 HydrophobicContact CB-CB 3.98Å; R277-A388 HydrophobicContact CG-CB 3.7Å; R277-Y389 HydrophobicContact CB-CE2 4.31Å
278Y98.4Very high98.1Very high2 Ų214 Ų141%0.0089%0.092CC..Hα-helixtrans-44.2-48179.1174.3-100.3000112.7K51 R54 W55 F238 P239 F248 P275 G276K51-Y278 HydrophobicContact CB-CD1 4.38Å; K51-Y278 HydrophobicContact CB-CE1 3.8Å; K51-Y278 HydrophobicContact CD-CE1 4.38Å; K51-Y278 HydrophobicContact CD-CE2 4.28Å; K51-Y278 WeakPolarHBondContact CD-O 3.42Å; K51-Y278 PolarHBondContact NZ-O 3.44Å; K51-Y278 WeakPolarHBondContact O-CE1 3.36Å; K51-Y278 PolarHBondContact O-OH 2.83Å; R54-Y278 WeakPolarHBondContact CB-OH 3.44Å; W55-Y278 HydrophobicContact CB-CE1 3.98Å; W55-Y278 HydrophobicContact CD2-CE1 4.46Å; W55-Y278 AromaticContact CE3-CD1 3.86Å; W55-Y278 HydrophobicContact CE3-CD1 3.86Å; W55-Y278 AromaticContact CE3-CE1 3.7Å; W55-Y278 HydrophobicContact CE3-CE1 3.7Å; W55-Y278 HydrophobicContact CE3-CG 4.39Å; W55-Y278 HydrophobicContact CZ3-CD1 4.4Å; W55-Y278 PolarHBondContact N-OH 3.12Å; F238-Y278 HydrophobicContact CB-CD2 4.2Å; F238-Y278 HydrophobicContact CB-CG 4.44Å; P239-Y278 WeakPolarHBondContact O-CD2 3.19Å; F248-Y278 HydrophobicContact CB-CE2 4.33Å; F248-Y278 AromaticContact CD1-CE2 3.69Å; F248-Y278 HydrophobicContact CD1-CE2 3.69Å; F248-Y278 AromaticContact CD2-CD2 3.86Å; F248-Y278 HydrophobicContact CD2-CD2 3.86Å; F248-Y278 AromaticContact CD2-CE2 3.55Å; F248-Y278 HydrophobicContact CD2-CE2 3.55Å; F248-Y278 AromaticContact CE1-CE2 3.73Å; F248-Y278 HydrophobicContact CE1-CE2 3.73Å; F248-Y278 AromaticContact CE1-CZ 3.85Å; F248-Y278 WeakPolarHBondContact CE1-OH 3.45Å; F248-Y278 HydrophobicContact CE2-CD2 4.02Å; F248-Y278 AromaticContact CE2-CE2 3.62Å; F248-Y278 HydrophobicContact CE2-CE2 3.62Å; F248-Y278 HydrophobicContact CG-CD2 4.23Å; F248-Y278 AromaticContact CG-CE2 3.58Å; F248-Y278 HydrophobicContact CG-CE2 3.58Å; F248-Y278 AromaticContact CZ-CE2 3.71Å; F248-Y278 HydrophobicContact CZ-CE2 3.71Å; F248-Y278 AromaticContact CZ-CZ 3.82Å; P275-Y278 HydrophobicContact CB-CD1 4.43Å; G276-Y278 PolarHBondContact O-N 2.94Å; G276-Y278 VanDerWaalsContact O-N 3.13Å
279Y98.8Very high98.4Very high0 Ų011.5 Ų11.50%06%0.063CC..Hα-helixtrans-73.6-36.2-174.7-86.6-70.8000113.7I48 K51 H52 P64 Y66 L80 P275 G276 R277I48-Y279 HydrophobicContact CG2-CD1 4.07Å; K51-Y279 HydrophobicContact CB-CD1 4Å; K51-Y279 HydrophobicContact CB-CE1 4.37Å; H52-Y279 HydrophobicContact CB-CE1 3.9Å; H52-Y279 AromaticContact ND1-CE1 3.71Å; H52-Y279 AromaticContact ND1-CZ 3.68Å; H52-Y279 PolarHBondContact ND1-OH 3.4Å; P64-Y279 HydrophobicContact CB-CE2 4.04Å; P64-Y279 WeakPolarHBondContact CB-OH 3.33Å; P64-Y279 VanDerWaalsContact CG-OH 3.24Å; P64-Y279 WeakPolarHBondContact CG-OH 3.42Å; Y66-Y279 AromaticContact CD2-CD2 3.99Å; Y66-Y279 HydrophobicContact CD2-CD2 3.99Å; Y66-Y279 HydrophobicContact CD2-CG 4.36Å; L80-Y279 HydrophobicContact CD2-CD1 3.57Å; L80-Y279 HydrophobicContact CD2-CE1 3.61Å; L80-Y279 HydrophobicContact CD2-CG 4.04Å; P275-Y279 HydrophobicContact CB-CD2 4.08Å; P275-Y279 HydrophobicContact CB-CE2 4.09Å; P275-Y279 HydrophobicContact CG-CD2 4Å; P275-Y279 HydrophobicContact CG-CE2 3.57Å; G276-Y279 PolarHBondContact O-N 3.43Å; G276-Y279 VanDerWaalsContact O-N 3.15Å; R277-Y279 PolarHBondContact O-N 2.85Å; R277-Y279 VanDerWaalsContact O-N 3.16Å
280V98.7Very high98.5Very high0 Ų010.2 Ų10.20%06%0.057CC..Hα-helixtrans-118.9-17.9-159.1-61.60000115Y66 N71 I76 R277 S282 A283 G387 A388Y66-V280 HydrophobicContact CE2-CG1 3.93Å; N71-V280 HydrophobicContact CB-CG2 4.11Å; I76-V280 HydrophobicContact CG2-CG1 3.6Å; R277-V280 PolarHBondContact O-N 3.43Å; R277-V280 VanDerWaalsContact O-N 3.14Å; V280-S282 PolarHBondContact O-N 3.06Å; V280-A283 WeakPolarHBondContact O-CB 3.37Å; V280-A283 PolarHBondContact O-N 3.37Å; V280-G387 WeakPolarHBondContact CG2-O 3.29Å; V280-G387 WeakPolarHBondContact O-CA 3.32Å; V280-A388 HydrophobicContact CG2-CB 4.15Å
281A98.3Very high98.5Very high6 Ų610 Ų105%0.056%0.055CC..G310 helixtrans-57.7-57.7-171.100000112.7R277 A283 N385 M386 G387 A388R277-A281 HydrophobicContact CG-CB 3.84Å; R277-A281 WeakPolarHBondContact O-CB 3.36Å; R277-A281 PolarHBondContact O-N 2.93Å; A281-A283 PolarHBondContact O-N 2.71Å; A281-N385 CarbonylContact O-C 3.49Å; A281-N385 WeakPolarHBondContact O-CA 3.31Å; A281-M386 PolarHBondContact O-N 3.26Å; A281-G387 PolarHBondContact O-N 2.74Å; A281-G387 VanDerWaalsContact O-N 3.09Å; A281-A388 HydrophobicContact CB-CB 3.95Å
282S98.4Very high98.5Very high24 Ų2411.8 Ų11.817%0.1687%0.07CC..G310 helixtrans-71.1-12.5179.853.80000115D47 K51 G240 V280 F284D47-S282 PolarHBondContact OD2-OG 3.34Å; K51-S282 PolarHBondContact NZ-OG 3.36Å; G240-S282 PolarHBondContact O-N 3.08Å; G240-S282 PolarHBondContact O-OG 3.43Å; V280-S282 PolarHBondContact O-N 3.06Å; S282-F284 PolarHBondContact O-N 2.67Å
283A98.6Very high98.5Very high5 Ų514.3 Ų14.34%0.0418%0.081CC..G310 helixtrans-73.3-15.4-177.600000112.6A43 D44 D47 I48 V280 A281A43-A283 CarbonylContact C-O 3.59Å; A43-A283 VanDerWaalsContact CA-O 3.24Å; A43-A283 WeakPolarHBondContact CA-O 3.47Å; D44-A283 PolarHBondContact N-O 3.42Å; D47-A283 HydrophobicContact CB-CB 4.04Å; D47-A283 PolarHBondContact OD2-N 3.05Å; I48-A283 HydrophobicContact CG1-CB 4.07Å; V280-A283 WeakPolarHBondContact O-CB 3.37Å; V280-A283 PolarHBondContact O-N 3.37Å; A281-A283 PolarHBondContact O-N 2.71Å
284F98.7Very high98.3Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-120.1130.5-175.4-70.7-113.6000111.8Y41 V42 A43 N71 I76 S282 N385 M386 G387 I405 Y407Y41-F284 HydrophobicContact CD1-CB 3.91Å; Y41-F284 AromaticContact CD1-CD1 3.84Å; Y41-F284 HydrophobicContact CD1-CD1 3.84Å; Y41-F284 HydrophobicContact CD1-CG 4.39Å; Y41-F284 HydrophobicContact CE1-CB 4.1Å; Y41-F284 HydrophobicContact CE1-CD1 4.32Å; Y41-F284 HydrophobicContact CG-CD1 4.22Å; V42-F284 WeakPolarHBondContact O-CA 3.33Å; A43-F284 HydrophobicContact CB-CD1 3.76Å; A43-F284 HydrophobicContact CB-CD2 4.33Å; A43-F284 HydrophobicContact CB-CE1 3.6Å; A43-F284 HydrophobicContact CB-CE2 4.18Å; A43-F284 HydrophobicContact CB-CG 4.13Å; A43-F284 HydrophobicContact CB-CZ 3.82Å; N71-F284 WeakPolarHBondContact ND2-CZ 3.36Å; I76-F284 HydrophobicContact CD1-CE2 3.61Å; I76-F284 HydrophobicContact CD1-CZ 3.61Å; I76-F284 HydrophobicContact CG1-CE2 4.26Å; I76-F284 HydrophobicContact CG1-CZ 3.96Å; S282-F284 PolarHBondContact O-N 2.67Å; F284-N385 PolarHBondContact O-N 3.17Å; F284-M386 PolarHBondContact O-N 3.34Å; F284-G387 VanDerWaalsContact CB-CA 3.49Å; F284-I405 HydrophobicContact CD1-CG2 4.44Å; F284-I405 HydrophobicContact CE1-CD1 4.29Å; F284-I405 HydrophobicContact CE1-CG2 3.86Å; F284-Y407 HydrophobicContact CZ-CE1 4.32Å
285T98.7Very high98.2Very high30 Ų3023 Ų2318%0.18413%0.125CC..EExtended strand (participates in β ladder)trans-118.2126.6167.5-58.80000109.1L24 Y41 V42 L382 E384L24-T285 HydrophobicContact CD1-CG2 3.58Å; Y41-T285 WeakPolarHBondContact CA-O 3.45Å; V42-T285 PolarHBondContact N-O 3.43Å; V42-T285 PolarHBondContact O-N 3.5Å; T285-L382 HydrophobicContact CG2-CB 4.45Å; T285-E384 HydrophobicContact CG2-CG 4.16Å
286L98.8Very high97.9Very high0 Ų026 Ų260%014%0.143CC..EExtended strand (participates in β ladder)trans-93.2129.8176.4175.760.3000109.6A39 Y41 V288 F326 L382 F383 M386 P403A39-L286 HydrophobicContact CB-CD1 4.44Å; Y41-L286 HydrophobicContact CD1-CB 3.97Å; Y41-L286 HydrophobicContact CD1-CD1 4.47Å; Y41-L286 HydrophobicContact CD2-CD1 4Å; Y41-L286 HydrophobicContact CE1-CB 3.54Å; Y41-L286 HydrophobicContact CE1-CD1 4.26Å; Y41-L286 HydrophobicContact CE1-CG 4.35Å; Y41-L286 HydrophobicContact CE2-CD1 3.71Å; Y41-L286 HydrophobicContact CG-CD1 4.37Å; L286-V288 HydrophobicContact CD1-CG1 4.16Å; L286-V288 HydrophobicContact CD2-CG1 3.9Å; L286-V288 HydrophobicContact CG-CG1 3.82Å; L286-F326 HydrophobicContact CD2-CE1 4.46Å; L286-F326 HydrophobicContact CD2-CE2 3.7Å; L286-F326 HydrophobicContact CD2-CZ 3.64Å; L286-L382 CarbonylContact O-C 3.56Å; L286-L382 WeakPolarHBondContact O-CA 3.43Å; L286-F383 HydrophobicContact CB-CB 4.32Å; L286-F383 PolarHBondContact N-O 3.16Å; L286-F383 PolarHBondContact O-N 2.8Å; L286-M386 HydrophobicContact CB-CB 4.21Å; L286-M386 HydrophobicContact CB-CG 4.31Å; L286-M386 HydrophobicContact CD2-CE 3.98Å; L286-P403 HydrophobicContact CD1-CB 4.21Å; L286-P403 HydrophobicContact CD1-CG 4.08Å
287A98.6Very high97.4Very high0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-106.8125.1167.400000109.2I28 A39 F40 W380 L382I28-A287 HydrophobicContact CD1-CB 4.45Å; A39-A287 VanDerWaalsContact CA-O 3.27Å; A39-A287 WeakPolarHBondContact CA-O 3.31Å; A39-A287 WeakPolarHBondContact CB-O 3.46Å; F40-A287 HydrophobicContact CD1-CB 4.23Å; F40-A287 HydrophobicContact CE1-CB 3.86Å; F40-A287 HydrophobicContact CE2-CB 4.31Å; F40-A287 HydrophobicContact CZ-CB 3.91Å; F40-A287 PolarHBondContact N-O 2.83Å; F40-A287 VanDerWaalsContact N-O 3.07Å; F40-A287 PolarHBondContact O-N 2.67Å; A287-W380 HydrophobicContact CB-CE3 3.81Å; A287-W380 HydrophobicContact CB-CZ3 4.08Å; A287-L382 HydrophobicContact CB-CD2 3.72Å
288V98.6Very high96.1Very high0 Ų034.7 Ų34.70%019%0.186CC..EExtended strand (participates in β ladder)trans-118.2146.5174.5-58.60000110.5A39 L286 V318 D320 F326 W380 I381 F383A39-V288 HydrophobicContact CB-CG1 4.2Å; L286-V288 HydrophobicContact CD1-CG1 4.16Å; L286-V288 HydrophobicContact CD2-CG1 3.9Å; L286-V288 HydrophobicContact CG-CG1 3.82Å; V288-V318 HydrophobicContact CB-CB 4.02Å; V288-V318 HydrophobicContact CB-CG1 4.48Å; V288-V318 HydrophobicContact CB-CG2 4.41Å; V288-V318 HydrophobicContact CG2-CB 3.78Å; V288-V318 HydrophobicContact CG2-CG1 3.78Å; V288-V318 HydrophobicContact CG2-CG2 4.04Å; V288-D320 HydrophobicContact CG1-CB 3.95Å; V288-F326 HydrophobicContact CG1-CE2 4.22Å; V288-F326 HydrophobicContact CG1-CZ 4.44Å; V288-W380 WeakPolarHBondContact O-CA 3.25Å; V288-I381 HydrophobicContact CG2-CB 4.02Å; V288-I381 WeakPolarHBondContact CG2-O 3.4Å; V288-I381 PolarHBondContact N-O 2.93Å; V288-I381 PolarHBondContact O-N 3.17Å; V288-F383 HydrophobicContact CG2-CD2 4.18Å; V288-F383 HydrophobicContact CG2-CE2 3.72Å
289N98.4Very high94.2Very high9 Ų943 Ų435%0.04823%0.225CC..EExtended strand (participates in β ladder)trans-98.7139.7179.5-166.2-102.3000111K37 I291 V318 N319 G378 D379 W380K37-N289 HydrophobicContact CB-CB 4.06Å; K37-N289 VanDerWaalsContact O-CB 3.25Å; K37-N289 WeakPolarHBondContact O-CB 3.32Å; N289-I291 PolarHBondContact O-N 3.41Å; N289-V318 VanDerWaalsContact O-CA 3.22Å; N289-V318 WeakPolarHBondContact O-CA 3.37Å; N289-N319 PolarHBondContact N-OD1 3.07Å; N289-N319 PolarHBondContact O-N 2.87Å; N289-N319 PolarHBondContact O-OD1 2.86Å; N289-G378 VanDerWaalsContact ND2-C 3.3Å; N289-G378 PolarHBondContact ND2-O 2.76Å; N289-G378 WeakPolarHBondContact OD1-CA 3.34Å; N289-D379 PolarHBondContact ND2-O 3.49Å; N289-W380 HydrophobicContact CB-CD2 4.42Å; N289-W380 HydrophobicContact CB-CE3 4.18Å; N289-W380 HydrophobicContact CB-CH2 4.23Å; N289-W380 HydrophobicContact CB-CZ2 4.46Å; N289-W380 HydrophobicContact CB-CZ3 4.09Å
290I98.3Very high92.1Very high0 Ų051.3 Ų51.30%026%0.264CS..EExtended strand (participates in β ladder)trans-74.8109.5171.7-59.4177.2000108.7A292 Y316 Y317 V318 L375 V377 G378 D379 I381I290-A292 WeakPolarHBondContact CG2-O 3.35Å; I290-Y316 HydrophobicContact CD1-CD1 3.99Å; I290-Y316 HydrophobicContact CD1-CE1 4.43Å; I290-Y316 HydrophobicContact CD1-CG 4.28Å; I290-Y316 HydrophobicContact CG2-CD1 3.99Å; I290-Y317 CarbonylContact C-O 3.53Å; I290-Y317 WeakPolarHBondContact CA-O 3.5Å; I290-V318 HydrophobicContact CG1-CG1 4.24Å; I290-L375 HydrophobicContact CD1-CB 3.55Å; I290-L375 HydrophobicContact CD1-CD1 3.73Å; I290-L375 HydrophobicContact CD1-CG 4.3Å; I290-V377 CarbonylContact O-C 3.58Å; I290-V377 WeakPolarHBondContact O-CA 3.48Å; I290-V377 WeakPolarHBondContact O-CG1 3.22Å; I290-G378 PolarHBondContact O-N 3.09Å; I290-D379 HydrophobicContact CD1-CB 4.22Å; I290-D379 PolarHBondContact N-O 3.27Å; I290-I381 HydrophobicContact CD1-CD1 3.99Å; I290-I381 HydrophobicContact CD1-CG1 4.19Å; I290-I381 HydrophobicContact CG1-CD1 4Å; I290-I381 HydrophobicContact CG1-CG1 4.19Å
291I98.4Very high89.7Confident77 Ų7756.9 Ų56.940%0.39530%0.298SS..EExtended strand (participates in β ladder)trans-95.8-23.1-177.757.1170.1000113.2N289 Y317 N319 P358N289-I291 PolarHBondContact O-N 3.41Å; I291-Y317 VanDerWaalsContact CG1-O 3.25Å; I291-Y317 WeakPolarHBondContact CG1-O 3.21Å; I291-Y317 PolarHBondContact N-O 3.31Å; I291-N319 HydrophobicContact CD1-CB 4.36Å; I291-N319 HydrophobicContact CG2-CB 3.86Å; I291-P358 HydrophobicContact CD1-CB 4.15Å
292A98.4Very high87.2Confident41 Ų4160.6 Ų60.634%0.33934%0.337SS..EExtended strand (participates in β ladder)trans-150.5159172.500000111.8I290 Y317I290-A292 WeakPolarHBondContact CG2-O 3.35Å; A292-Y317 HydrophobicContact CB-CD2 3.95Å; A292-Y317 HydrophobicContact CB-CG 4.22Å; A292-Y317 PolarHBondContact N-O 3.17Å; A292-Y317 PolarHBondContact O-N 3.36Å
293K98.1Very high84.8Confident52 Ų5263.3 Ų63.323%0.22636%0.356CS..EExtended strand (participates in β ladder)trans-140.9141-179.8179-177.2178.1178.30110.4M315 Y316 E374 L375 V377K293-M315 CarbonylContact C-O 3.53Å; K293-M315 VanDerWaalsContact CA-O 3.29Å; K293-M315 WeakPolarHBondContact CA-O 3.41Å; K293-Y316 HydrophobicContact CB-CD1 4.31Å; K293-Y316 HydrophobicContact CD-CD1 4.38Å; K293-Y316 HydrophobicContact CD-CE1 3.84Å; K293-Y316 HydrophobicContact CG-CD1 4.01Å; K293-Y316 HydrophobicContact CG-CE1 3.88Å; K293-E374 VanDerWaalsContact NZ-CD 3.33Å; K293-E374 IonicContact NZ-OE1 2.65Å; K293-E374 PolarHBondContact NZ-OE1 3.45Å; K293-L375 WeakPolarHBondContact CD-O 3.36Å; K293-L375 WeakPolarHBondContact CE-O 3.45Å; K293-L375 PolarHBondContact NZ-O 3.35Å; K293-V377 HydrophobicContact CB-CG2 4.23Å
294K96.3Very high82.4Confident114 Ų11470.7 Ų70.750%0.49640%0.395SS..EExtended strand (participates in β ladder)trans-126.9145.6167.6-63.5176.6-177.9166.20110.4M315 Y317K294-M315 HydrophobicContact CB-CB 4.22Å; K294-M315 HydrophobicContact CB-SD 4.45Å; K294-M315 PolarHBondContact N-O 3.1Å; K294-M315 PolarHBondContact O-N 2.96Å; K294-Y317 HydrophobicContact CD-CE2 3.99Å; K294-Y317 HydrophobicContact CG-CE2 4.11Å; K294-Y317 PolarHBondContact NZ-OH 3.26Å
295V95.7Very high79.9Confident77 Ų7777.3 Ų77.347%0.46743%0.43SS..EExtended strand (participates in β ladder)trans-107.8125.3171.2-175.90000107.2L297 K312 L314V295-L297 HydrophobicContact CG1-CD2 4.28Å; V295-K312 HydrophobicContact CG1-CB 4.16Å; V295-K312 HydrophobicContact CG1-CD 4.41Å; V295-L314 HydrophobicContact CB-CD2 4.31Å; V295-L314 HydrophobicContact CG1-CD2 4.17Å; V295-L314 HydrophobicContact CG2-CD2 3.82Å
296V91.3Very high77.4Confident64 Ų6485 Ų8539%0.38846%0.464SS..EExtended strand (participates in β ladder)trans-112.2114.1176.1-179.20000107.5K312 T313 M315V296-K312 WeakPolarHBondContact O-CA 3.22Å; V296-T313 WeakPolarHBondContact CB-OG1 3Å; V296-T313 PolarHBondContact N-O 3.48Å; V296-T313 PolarHBondContact O-N 3.42Å; V296-T313 PolarHBondContact O-OG1 2.89Å; V296-M315 HydrophobicContact CG2-CG 4.23Å; V296-M315 HydrophobicContact CG2-SD 3.83Å
297L88.1Confident74.9Confident123 Ų12392.9 Ų92.964%0.64451%0.506SS*.EExtended strand (participates in β ladder)trans-82.1134.7172.9-59176.7000108.3V295 E299 D311 K312V295-L297 HydrophobicContact CG1-CD2 4.28Å; L297-E299 PolarHBondContact O-N 3.3Å; L297-D311 WeakPolarHBondContact CA-O 3.32Å; L297-K312 HydrophobicContact CD2-CB 3.94Å
298K71.1Confident72.6Confident104 Ų10498 Ų9845%0.45253%0.534SS..PPolyproline II helixtrans-64.3125.6169.2-78.7-176.5178.1179.20107.8Q300 D308 D311K298-Q300 PolarHBondContact O-N 3.03Å; K298-D308 IonicContact NZ-OD2 2.63Å; K298-D308 PolarHBondContact NZ-OD2 3.48Å; K298-D311 PolarHBondContact N-O 3.33Å
299E59Low70.2Confident177 Ų177103 Ų10383%0.82758%0.575SS**PPolyproline II helixtrans-68.1127.9165.2-69.8-175.1167.800107.6L297 T301L297-E299 PolarHBondContact O-N 3.3Å; E299-T301 VanDerWaalsContact C-N 3.29Å; E299-T301 PolarHBondContact O-N 3.37Å
300Q53.8Low68.2Low175 Ų175105.6 Ų105.682%0.81859%0.588SS**  trans-65.189.6174.6-71.8-177.7-6.400109.2K298 G302K298-Q300 PolarHBondContact O-N 3.03Å; Q300-G302 PolarHBondContact O-N 3.42Å
301T47.8Very low67.1Low116 Ų116110.2 Ų110.271%0.71261%0.613SS**  trans-71.8105.6159.3490000105.8E299 S303E299-T301 VanDerWaalsContact C-N 3.29Å; E299-T301 PolarHBondContact O-N 3.37Å; T301-S303 VanDerWaalsContact C-N 3.3Å; T301-S303 PolarHBondContact O-N 3.49Å
302G46.5Very low66.5Low84 Ų84108.9 Ų108.987%0.86660%0.604SS**  trans-58.878.5-169.100000115.7Q300Q300-G302 PolarHBondContact O-N 3.42Å
303S48.4Very low66.2Low82 Ų82108.8 Ų108.857%0.57360%0.6SS**  trans-120.6125.5162.855.50000108.5T301 D305T301-S303 VanDerWaalsContact C-N 3.3Å; T301-S303 PolarHBondContact O-N 3.49Å; S303-D305 PolarHBondContact O-N 3.17Å
304D47.6Very low66Low159 Ų159106.3 Ų106.385%0.8559%0.589SS**  trans-69.745.3-173.6-60.1-41.5000114E306D304-E306 PolarHBondContact O-N 2.69Å
305D47.2Very low66.1Low139 Ų139102.6 Ų102.674%0.74357%0.574SS**  trans-92.791174.1-70.2-31000109.2S303 D307S303-D305 PolarHBondContact O-N 3.17Å; D305-D307 PolarHBondContact O-N 3.05Å
306E45.6Very low66.2Low192 Ų19299 Ų9990%0.89755%0.552SS**THydrogen-bonded Turntrans-7032.5-176.7-68.7-169.9151.700115.6D304D304-E306 PolarHBondContact O-N 2.69Å
307D45.3Very low66.6Low165 Ų16598.2 Ų98.288%0.88254%0.543SS*.THydrogen-bonded Turntrans-127.914.6-169.8-96.7-21.1000117.2D305D305-D307 PolarHBondContact O-N 3.05Å
308D49.9Very low67.1Low109 Ų10992.4 Ų92.458%0.58351%0.512SS*.  trans-118.580.8179.4-131.16.8000112K298 N310K298-D308 IonicContact NZ-OD2 2.63Å; K298-D308 PolarHBondContact NZ-OD2 3.48Å; D308-N310 PolarHBondContact O-N 3.22Å
309A48.8Very low68.4Low105 Ų10588.7 Ų88.787%0.86850%0.497SS*.  trans-65.822-176.700000115.9
310N56.7Low70.3Confident62 Ų6280.7 Ų80.733%0.33246%0.46SS..  trans-141.786.2174.4-101.8-27000112.3D308 K312 C350 Y351D308-N310 PolarHBondContact O-N 3.22Å; N310-K312 PolarHBondContact O-N 2.72Å; N310-C350 PolarHBondContact ND2-O 2.99Å; N310-Y351 WeakPolarHBondContact OD1-CD1 3.03Å; N310-Y351 WeakPolarHBondContact OD1-CE1 3.46Å
311D74.3Confident72.4Confident97 Ų9772.5 Ų72.552%0.51942%0.422SS..  trans-650175.9-83.5-26.3000115.1L297 K298L297-D311 WeakPolarHBondContact CA-O 3.32Å; K298-D311 PolarHBondContact N-O 3.33Å
312K86.4Confident74.9Confident49 Ų4967.4 Ų67.421%0.21339%0.391CS..EExtended strand (participates in β ladder)trans-126.7137.4-178.172.8177-178.5177.80112.9V295 V296 L297 N310 Y351 E374V295-K312 HydrophobicContact CG1-CB 4.16Å; V295-K312 HydrophobicContact CG1-CD 4.41Å; V296-K312 WeakPolarHBondContact O-CA 3.22Å; L297-K312 HydrophobicContact CD2-CB 3.94Å; N310-K312 PolarHBondContact O-N 2.72Å; K312-Y351 HydrophobicContact CD-CD1 4.26Å; K312-Y351 HydrophobicContact CD-CE1 4.03Å; K312-Y351 VanDerWaalsContact CE-CD1 3.43Å; K312-Y351 VanDerWaalsContact CE-OH 3.3Å; K312-Y351 WeakPolarHBondContact CE-OH 3.46Å; K312-Y351 HydrophobicContact CG-CD1 3.77Å; K312-Y351 HydrophobicContact CG-CE1 3.89Å; K312-Y351 VanDerWaalsContact NZ-CZ 3.32Å; K312-Y351 PolarHBondContact NZ-OH 3.09Å; K312-Y351 VanDerWaalsContact NZ-OH 3.15Å; K312-E374 IonicContact NZ-OE2 2.69Å; K312-E374 PolarHBondContact NZ-OE2 2.72Å
313T91.7Very high77.3Confident39 Ų3967.1 Ų67.124%0.23936%0.364CS..EExtended strand (participates in β ladder)trans-114.9151.6166.761.50000109.8V296 S352V296-T313 WeakPolarHBondContact CB-OG1 3Å; V296-T313 PolarHBondContact N-O 3.48Å; V296-T313 PolarHBondContact O-N 3.42Å; V296-T313 PolarHBondContact O-OG1 2.89Å; T313-S352 WeakPolarHBondContact CA-O 3.36Å; T313-S352 WeakPolarHBondContact CB-O 3.32Å
314L95.7Very high79.7Confident1 Ų163.7 Ų63.71%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-117.2139.7-174-58176.2000110.6V295 Y316 Y351 S352 C353 S354 E374V295-L314 HydrophobicContact CB-CD2 4.31Å; V295-L314 HydrophobicContact CG1-CD2 4.17Å; V295-L314 HydrophobicContact CG2-CD2 3.82Å; L314-Y316 HydrophobicContact CB-CE2 4.14Å; L314-Y316 WeakPolarHBondContact CD1-OH 3.46Å; L314-Y351 HydrophobicContact CD1-CD2 3.76Å; L314-Y351 HydrophobicContact CD1-CG 3.9Å; L314-Y351 HydrophobicContact CG-CG 4.46Å; L314-S352 PolarHBondContact N-O 3.2Å; L314-S352 VanDerWaalsContact N-O 3.08Å; L314-C353 CarbonylContact O-C 3.51Å; L314-C353 WeakPolarHBondContact O-CA 3.31Å; L314-S354 PolarHBondContact O-N 3.35Å; L314-E374 HydrophobicContact CD1-CB 4.08Å; L314-E374 HydrophobicContact CD1-CG 3.96Å
315M97.8Very high82.2Confident36 Ų3656.2 Ų56.218%0.17730%0.302CS..EExtended strand (participates in β ladder)trans-118.9123.4173-51.4176.169.800108.7K293 K294 V296 Y317 W356K293-M315 CarbonylContact C-O 3.53Å; K293-M315 VanDerWaalsContact CA-O 3.29Å; K293-M315 WeakPolarHBondContact CA-O 3.41Å; K294-M315 HydrophobicContact CB-CB 4.22Å; K294-M315 HydrophobicContact CB-SD 4.45Å; K294-M315 PolarHBondContact N-O 3.1Å; K294-M315 PolarHBondContact O-N 2.96Å; V296-M315 HydrophobicContact CG2-CG 4.23Å; V296-M315 HydrophobicContact CG2-SD 3.83Å; M315-Y317 HydrophobicContact CB-CE2 4.34Å; M315-W356 HydrophobicContact CE-CD2 4.5Å; M315-W356 HydrophobicContact CE-CZ2 3.66Å
316Y98.5Very high84.6Confident0 Ų049.6 Ų49.60%027%0.266CS..EExtended strand (participates in β ladder)trans-109.9136.3175.5-57.9-67000110.1I290 K293 L314 C353 S354 I355 W356 M372 L375I290-Y316 HydrophobicContact CD1-CD1 3.99Å; I290-Y316 HydrophobicContact CD1-CE1 4.43Å; I290-Y316 HydrophobicContact CD1-CG 4.28Å; I290-Y316 HydrophobicContact CG2-CD1 3.99Å; K293-Y316 HydrophobicContact CB-CD1 4.31Å; K293-Y316 HydrophobicContact CD-CD1 4.38Å; K293-Y316 HydrophobicContact CD-CE1 3.84Å; K293-Y316 HydrophobicContact CG-CD1 4.01Å; K293-Y316 HydrophobicContact CG-CE1 3.88Å; L314-Y316 HydrophobicContact CB-CE2 4.14Å; L314-Y316 WeakPolarHBondContact CD1-OH 3.46Å; Y316-C353 HydrophobicContact CD2-CB 4.15Å; Y316-C353 HydrophobicContact CE2-CB 3.84Å; Y316-S354 PolarHBondContact N-O 3.21Å; Y316-I355 CarbonylContact O-C 3.51Å; Y316-I355 WeakPolarHBondContact O-CA 3.42Å; Y316-W356 PolarHBondContact O-N 3.03Å; Y316-M372 HydrophobicContact CD2-CE 3.93Å; Y316-M372 HydrophobicContact CE2-CE 3.89Å; Y316-L375 HydrophobicContact CE1-CB 3.88Å; Y316-L375 WeakPolarHBondContact CE1-O 3.46Å; Y316-L375 PolarHBondContact OH-N 3.19Å
317Y98.8Very high87.2Confident49 Ų4940.6 Ų40.619%0.19223%0.225CC..EExtended strand (participates in β ladder)trans-110.6129.3173.4-61-98.4000107.9I290 I291 A292 K294 M315 W356I290-Y317 CarbonylContact C-O 3.53Å; I290-Y317 WeakPolarHBondContact CA-O 3.5Å; I291-Y317 VanDerWaalsContact CG1-O 3.25Å; I291-Y317 WeakPolarHBondContact CG1-O 3.21Å; I291-Y317 PolarHBondContact N-O 3.31Å; A292-Y317 HydrophobicContact CB-CD2 3.95Å; A292-Y317 HydrophobicContact CB-CG 4.22Å; A292-Y317 PolarHBondContact N-O 3.17Å; A292-Y317 PolarHBondContact O-N 3.36Å; K294-Y317 HydrophobicContact CD-CE2 3.99Å; K294-Y317 HydrophobicContact CG-CE2 4.11Å; K294-Y317 PolarHBondContact NZ-OH 3.26Å; M315-Y317 HydrophobicContact CB-CE2 4.34Å; Y317-W356 CarbonylContact C-O 3.56Å; Y317-W356 WeakPolarHBondContact CA-O 3.24Å; Y317-W356 HydrophobicContact CD1-CB 3.62Å; Y317-W356 HydrophobicContact CD1-CG 4.29Å; Y317-W356 HydrophobicContact CE1-CB 3.86Å; Y317-W356 HydrophobicContact CE1-CG 4.07Å; Y317-W356 HydrophobicContact CG-CB 4.28Å
318V98.8Very high89.7Confident0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-117.4163.6-179-63.50000111.3V288 N289 I290 D320 I355 W356 G357 P358 I366 I381V288-V318 HydrophobicContact CB-CB 4.02Å; V288-V318 HydrophobicContact CB-CG1 4.48Å; V288-V318 HydrophobicContact CB-CG2 4.41Å; V288-V318 HydrophobicContact CG2-CB 3.78Å; V288-V318 HydrophobicContact CG2-CG1 3.78Å; V288-V318 HydrophobicContact CG2-CG2 4.04Å; N289-V318 VanDerWaalsContact O-CA 3.22Å; N289-V318 WeakPolarHBondContact O-CA 3.37Å; I290-V318 HydrophobicContact CG1-CG1 4.24Å; V318-D320 VanDerWaalsContact C-N 3.34Å; V318-D320 WeakPolarHBondContact CG2-O 3.27Å; V318-D320 PolarHBondContact O-N 2.9Å; V318-I355 HydrophobicContact CG1-CG2 4.11Å; V318-I355 HydrophobicContact CG2-CG2 3.97Å; V318-W356 VanDerWaalsContact CG2-O 3.31Å; V318-W356 WeakPolarHBondContact CG2-O 3.35Å; V318-W356 PolarHBondContact N-O 2.96Å; V318-G357 CarbonylContact O-C 3.5Å; V318-P358 WeakPolarHBondContact O-CB 3.42Å; V318-P358 WeakPolarHBondContact O-CD 3.11Å; V318-I366 HydrophobicContact CG2-CD1 3.46Å; V318-I366 VanDerWaalsContact CG2-CD1 3.46Å; V318-I381 HydrophobicContact CG1-CD1 4.3Å
319N98.6Very high91.9Very high27 Ų2729.9 Ų29.914%0.14417%0.167CC..SBendtrans-88.616.6-172.258-7.6000116K37 A39 N289 I291K37-N319 PolarHBondContact O-ND2 3.2Å; A39-N319 PolarHBondContact N-ND2 3.08Å; A39-N319 VanDerWaalsContact N-ND2 3.18Å; N289-N319 PolarHBondContact N-OD1 3.07Å; N289-N319 PolarHBondContact O-N 2.87Å; N289-N319 PolarHBondContact O-OD1 2.86Å; I291-N319 HydrophobicContact CD1-CB 4.36Å; I291-N319 HydrophobicContact CG2-CB 3.86Å
320D98.8Very high94.2Very high9 Ų929.7 Ų29.75%0.04815%0.151CC..  trans-143.5152.5165.5-166.6-1.3000108.7A39 V288 V318 G324 S325 F326 P358 I366 P403A39-D320 HydrophobicContact CB-CB 4.27Å; V288-D320 HydrophobicContact CG1-CB 3.95Å; V318-D320 VanDerWaalsContact C-N 3.34Å; V318-D320 WeakPolarHBondContact CG2-O 3.27Å; V318-D320 PolarHBondContact O-N 2.9Å; D320-G324 WeakPolarHBondContact OD1-CA 3.48Å; D320-S325 PolarHBondContact OD1-N 3.34Å; D320-S325 WeakPolarHBondContact OD2-CB 3.32Å; D320-S325 PolarHBondContact OD2-N 3.09Å; D320-S325 PolarHBondContact OD2-OG 3.22Å; D320-F326 HydrophobicContact CB-CE2 4.21Å; D320-P358 VanDerWaalsContact C-CD 3.49Å; D320-I366 VanDerWaalsContact O-CD1 3.31Å; D320-I366 WeakPolarHBondContact O-CD1 2.96Å; D320-P403 HydrophobicContact CB-CG 4.49Å; D320-P403 WeakPolarHBondContact OD2-CG 3.48Å
321G98.6Very high95.9Very high2 Ų235.1 Ų35.12%0.02117%0.168CC..  trans-152.5-168.7-167.100000114.4Y323 G324 S325 F326 D364G321-Y323 PolarHBondContact O-N 3.44Å; G321-G324 CarbonylContact O-C 3.55Å; G321-G324 WeakPolarHBondContact O-CA 3.27Å; G321-G324 PolarHBondContact O-N 2.97Å; G321-S325 PolarHBondContact O-N 3.09Å; G321-F326 WeakPolarHBondContact O-CB 3.42Å; G321-F326 PolarHBondContact O-N 3.04Å; G321-D364 VanDerWaalsContact CA-OD1 3.29Å; G321-D364 WeakPolarHBondContact CA-OD1 3.41Å
322V98.6Very high96.9Very high9 Ų931.3 Ų31.36%0.05515%0.148CC..THydrogen-bonded Turntrans-66.6-19.3-174.6-53.40000113.3N327 L330 D364V322-N327 WeakPolarHBondContact O-CA 3.46Å; V322-N327 WeakPolarHBondContact O-CB 3.45Å; V322-N327 PolarHBondContact O-N 2.88Å; V322-L330 HydrophobicContact CB-CD1 4.1Å; V322-L330 HydrophobicContact CG2-CD1 4.23Å; V322-D364 HydrophobicContact CG2-CB 4.11Å; V322-D364 WeakPolarHBondContact CG2-OD1 3.44Å; V322-D364 PolarHBondContact N-OD1 2.67Å
323Y98.6Very high97.2Very high79 Ų7934 Ų3431%0.3116%0.161SC..THydrogen-bonded Turntrans-86.4-18.4172.8-72.6-86.2000113.5G321 T359 D361 S395 F397G321-Y323 PolarHBondContact O-N 3.44Å; Y323-T359 HydrophobicContact CD2-CG2 3.94Å; Y323-T359 HydrophobicContact CG-CG2 4.49Å; Y323-D361 HydrophobicContact CE2-CB 3.97Å; Y323-D361 WeakPolarHBondContact CE2-OD2 3.47Å; Y323-D361 PolarHBondContact OH-OD2 3.5Å; Y323-S395 PolarHBondContact O-N 2.99Å; Y323-S395 PolarHBondContact O-OG 2.67Å; Y323-F397 HydrophobicContact CD1-CB 3.79Å; Y323-F397 AromaticContact CD1-CD1 3.72Å; Y323-F397 HydrophobicContact CD1-CD1 3.72Å; Y323-F397 HydrophobicContact CD1-CE1 4.5Å; Y323-F397 AromaticContact CD1-CG 3.84Å; Y323-F397 HydrophobicContact CD1-CG 3.84Å; Y323-F397 AromaticContact CD2-CD1 3.88Å; Y323-F397 HydrophobicContact CD2-CD1 3.88Å; Y323-F397 HydrophobicContact CD2-CE1 4.41Å; Y323-F397 AromaticContact CE1-CD1 3.83Å; Y323-F397 HydrophobicContact CE1-CD1 3.83Å; Y323-F397 HydrophobicContact CE1-CE1 4.17Å; Y323-F397 HydrophobicContact CE1-CG 4.1Å; Y323-F397 AromaticContact CE2-CD1 3.98Å; Y323-F397 HydrophobicContact CE2-CD1 3.98Å; Y323-F397 HydrophobicContact CE2-CE1 4.08Å; Y323-F397 HydrophobicContact CG-CB 4.02Å; Y323-F397 AromaticContact CG-CD1 3.74Å; Y323-F397 HydrophobicContact CG-CD1 3.74Å; Y323-F397 HydrophobicContact CG-CG 4.18Å; Y323-F397 AromaticContact CZ-CD1 3.96Å; Y323-F397 AromaticContact CZ-CE1 3.95Å
324G98.7Very high97.3Very high10 Ų1033.5 Ų33.510%0.10316%0.161CC..THydrogen-bonded Turntrans-100.2-122.3176.300000110.1D320 G321 F326 N327 A394D320-G324 WeakPolarHBondContact OD1-CA 3.48Å; G321-G324 CarbonylContact O-C 3.55Å; G321-G324 WeakPolarHBondContact O-CA 3.27Å; G321-G324 PolarHBondContact O-N 2.97Å; G324-F326 PolarHBondContact O-N 3.36Å; G324-N327 PolarHBondContact O-ND2 3.29Å; G324-A394 WeakPolarHBondContact O-CB 3.45Å
325S98.8Very high97.2Very high1 Ų140.8 Ų40.81%0.00719%0.194CC..THydrogen-bonded Turntrans-72.2-25.7-173.2-55.70000114.4Y41 D320 G321 N327Y41-S325 WeakPolarHBondContact OH-CB 3.35Å; Y41-S325 PolarHBondContact OH-OG 3.27Å; D320-S325 PolarHBondContact OD1-N 3.34Å; D320-S325 WeakPolarHBondContact OD2-CB 3.32Å; D320-S325 PolarHBondContact OD2-N 3.09Å; D320-S325 PolarHBondContact OD2-OG 3.22Å; G321-S325 PolarHBondContact O-N 3.09Å; S325-N327 PolarHBondContact O-N 3.48Å
326F98.8Very high97.1Very high0 Ų040.5 Ų40.50%019%0.194CC..THydrogen-bonded Turntrans-85.910.4-177.9-60.5-84.6000113.6L286 V288 D320 G321 G324 C328 I329 V336 I366 F383 M386L286-F326 HydrophobicContact CD2-CE1 4.46Å; L286-F326 HydrophobicContact CD2-CE2 3.7Å; L286-F326 HydrophobicContact CD2-CZ 3.64Å; V288-F326 HydrophobicContact CG1-CE2 4.22Å; V288-F326 HydrophobicContact CG1-CZ 4.44Å; D320-F326 HydrophobicContact CB-CE2 4.21Å; G321-F326 WeakPolarHBondContact O-CB 3.42Å; G321-F326 PolarHBondContact O-N 3.04Å; G324-F326 PolarHBondContact O-N 3.36Å; F326-C328 PolarHBondContact O-N 3.19Å; F326-C328 VanDerWaalsContact O-N 3.09Å; F326-I329 HydrophobicContact CB-CD1 4.05Å; F326-I329 HydrophobicContact CD1-CD1 4.33Å; F326-I329 WeakPolarHBondContact O-CB 3.42Å; F326-I329 WeakPolarHBondContact O-CG1 3.15Å; F326-I329 PolarHBondContact O-N 3.01Å; F326-V336 HydrophobicContact CD1-CG1 4.12Å; F326-V336 HydrophobicContact CD1-CG2 4.19Å; F326-V336 HydrophobicContact CE1-CB 4.47Å; F326-V336 HydrophobicContact CE1-CG1 4.35Å; F326-V336 HydrophobicContact CE1-CG2 4.28Å; F326-I366 HydrophobicContact CB-CG1 4.45Å; F326-I366 HydrophobicContact CB-CG2 4.48Å; F326-I366 HydrophobicContact CD1-CG2 3.48Å; F326-I366 VanDerWaalsContact CD1-CG2 3.48Å; F326-I366 HydrophobicContact CD2-CD1 3.78Å; F326-I366 HydrophobicContact CD2-CG1 4.15Å; F326-I366 HydrophobicContact CD2-CG2 4.38Å; F326-I366 HydrophobicContact CE1-CG2 3.65Å; F326-I366 HydrophobicContact CE2-CD1 3.8Å; F326-I366 HydrophobicContact CG-CD1 4.25Å; F326-I366 HydrophobicContact CG-CG1 4.16Å; F326-I366 HydrophobicContact CG-CG2 3.87Å; F326-I366 HydrophobicContact CZ-CD1 4.29Å; F326-I366 HydrophobicContact CZ-CG2 4.18Å; F326-F383 HydrophobicContact CE1-CB 4.42Å; F326-F383 AromaticContact CE1-CD1 3.78Å; F326-F383 HydrophobicContact CE1-CD1 3.78Å; F326-F383 HydrophobicContact CE1-CD2 4Å; F326-F383 AromaticContact CE1-CE1 3.9Å; F326-F383 HydrophobicContact CE1-CE1 3.9Å; F326-F383 HydrophobicContact CE1-CE2 4.13Å; F326-F383 AromaticContact CE1-CG 3.81Å; F326-F383 HydrophobicContact CE1-CG 3.81Å; F326-F383 HydrophobicContact CE1-CZ 4.07Å; F326-F383 HydrophobicContact CZ-CD1 4.23Å; F326-F383 AromaticContact CZ-CD2 3.59Å; F326-F383 HydrophobicContact CZ-CD2 3.59Å; F326-F383 HydrophobicContact CZ-CE1 4.28Å; F326-F383 AromaticContact CZ-CE2 3.67Å; F326-F383 HydrophobicContact CZ-CE2 3.67Å; F326-F383 AromaticContact CZ-CG 3.87Å; F326-F383 HydrophobicContact CZ-CG 3.87Å; F326-F383 HydrophobicContact CZ-CZ 4.01Å; F326-M386 HydrophobicContact CD1-CE 3.93Å; F326-M386 HydrophobicContact CE1-CE 3.91Å; F326-M386 HydrophobicContact CG-CE 4.45Å; F326-M386 HydrophobicContact CZ-CE 4.42Å
327N98.6Very high96.9Very high4 Ų445.1 Ų45.12%0.02122%0.215CC..Hα-helixtrans-56.5-23.3170.378.280.1000112.2V322 G324 S325 I329 L330 Y331 Y389 T390 A393V322-N327 WeakPolarHBondContact O-CA 3.46Å; V322-N327 WeakPolarHBondContact O-CB 3.45Å; V322-N327 PolarHBondContact O-N 2.88Å; G324-N327 PolarHBondContact O-ND2 3.29Å; S325-N327 PolarHBondContact O-N 3.48Å; N327-I329 PolarHBondContact O-N 2.89Å; N327-L330 PolarHBondContact O-N 3.18Å; N327-Y331 HydrophobicContact CB-CD2 3.95Å; N327-Y331 HydrophobicContact CB-CE2 4.21Å; N327-Y331 WeakPolarHBondContact O-CD2 3.25Å; N327-Y331 PolarHBondContact O-N 2.84Å; N327-Y389 PolarHBondContact OD1-O 2.55Å; N327-T390 PolarHBondContact ND2-O 2.81Å; N327-A393 WeakPolarHBondContact OD1-CB 3.45Å
328C97.8Very high96.8Very high3 Ų342.9 Ų42.92%0.0221%0.206CC..Hα-helixtrans-56.9-27.6173.861.30000113.4F326 L330 D332 H333 A334 Y389 T390F326-C328 PolarHBondContact O-N 3.19Å; F326-C328 VanDerWaalsContact O-N 3.09Å; C328-L330 VanDerWaalsContact C-N 3.29Å; C328-L330 PolarHBondContact O-N 3.44Å; C328-D332 HydrophobicContact CB-CB 4.27Å; C328-D332 CarbonylContact O-C 3.59Å; C328-D332 VanDerWaalsContact O-C 3.31Å; C328-D332 WeakPolarHBondContact O-CA 3.19Å; C328-D332 WeakPolarHBondContact O-CB 3.48Å; C328-D332 PolarHBondContact O-N 2.7Å; C328-H333 PolarHBondContact O-N 3Å; C328-A334 HydrophobicContact CB-CB 3.87Å; C328-A334 PolarHBondContact O-N 2.68Å; C328-Y389 WeakPolarHBondContact CB-O 3.49Å; C328-T390 HydrophobicContact CB-CG2 4.21Å
329I97.5Very high96.5Very high45 Ų4544.1 Ų44.123%0.23121%0.213CC..Hα-helixtrans-63.8-40.2174.5-59.9173.8000110F326 N327 H333 V336 I366F326-I329 HydrophobicContact CB-CD1 4.05Å; F326-I329 HydrophobicContact CD1-CD1 4.33Å; F326-I329 WeakPolarHBondContact O-CB 3.42Å; F326-I329 WeakPolarHBondContact O-CG1 3.15Å; F326-I329 PolarHBondContact O-N 3.01Å; N327-I329 PolarHBondContact O-N 2.89Å; I329-H333 WeakPolarHBondContact O-CA 3.49Å; I329-V336 HydrophobicContact CD1-CG2 3.9Å; I329-V336 HydrophobicContact CG1-CG1 4.36Å; I329-V336 HydrophobicContact CG1-CG2 4.41Å; I329-I366 HydrophobicContact CD1-CG2 4.04Å; I329-I366 WeakPolarHBondContact CD1-O 3.03Å
330L96.1Very high96.1Very high101 Ų10143.9 Ų43.953%0.52921%0.212SC..Hα-helixtrans-82.3-45.4-177.5-61.3174000112.3V322 N327 C328V322-L330 HydrophobicContact CB-CD1 4.1Å; V322-L330 HydrophobicContact CG2-CD1 4.23Å; N327-L330 PolarHBondContact O-N 3.18Å; C328-L330 VanDerWaalsContact C-N 3.29Å; C328-L330 PolarHBondContact O-N 3.44Å
331Y93.6Very high95.4Very high176 Ų17645.5 Ų45.569%0.6922%0.219SC*.Hα-helixtrans-97.3-26.5-169.6-65.5-63000114.6N327N327-Y331 HydrophobicContact CB-CD2 3.95Å; N327-Y331 HydrophobicContact CB-CE2 4.21Å; N327-Y331 WeakPolarHBondContact O-CD2 3.25Å; N327-Y331 PolarHBondContact O-N 2.84Å
332D93.8Very high94.5Very high18 Ų1851.7 Ų51.710%0.09625%0.246CC..SBendtrans-115.91.4-177.1-165.553.1000112.2R277 C328 A334R277-D332 IonicContact CZ-OD1 2.59Å; R277-D332 IonicContact CZ-OD2 2.71Å; R277-D332 VanDerWaalsContact CZ-OD2 3.24Å; R277-D332 IonicContact NH1-OD1 3.86Å; R277-D332 IonicContact NH1-OD2 3.96Å; R277-D332 PolarHBondContact NH1-OD2 3.49Å; R277-D332 VanDerWaalsContact NH2-CG 3.29Å; R277-D332 IonicContact NH2-OD1 3.86Å; R277-D332 PolarHBondContact NH2-OD1 3.35Å; R277-D332 IonicContact NH2-OD2 2.82Å; R277-D332 PolarHBondContact NH2-OD2 3.05Å; C328-D332 HydrophobicContact CB-CB 4.27Å; C328-D332 CarbonylContact O-C 3.59Å; C328-D332 VanDerWaalsContact O-C 3.31Å; C328-D332 WeakPolarHBondContact O-CA 3.19Å; C328-D332 WeakPolarHBondContact O-CB 3.48Å; C328-D332 PolarHBondContact O-N 2.7Å; D332-A334 PolarHBondContact O-N 2.75Å
333H94.1Very high93.4Very high106 Ų10662.3 Ų62.349%0.49129%0.285SS..  trans52.737.1-175.7-52-68.4000112.9V163 C328 I329V163-H333 HydrophobicContact CG1-CB 3.61Å; C328-H333 PolarHBondContact O-N 3Å; I329-H333 WeakPolarHBondContact O-CA 3.49Å
334A94Very high92.4Very high28 Ų2860.3 Ų60.323%0.23128%0.282CS..  trans-69137.8-178.700000111.7C328 D332C328-A334 HydrophobicContact CB-CB 3.87Å; C328-A334 PolarHBondContact O-N 2.68Å; D332-A334 PolarHBondContact O-N 2.75Å
335H93.4Very high91.6Very high153 Ų15366.8 Ų66.871%0.70831%0.307SS*.  trans-101.498.1168.7-62.8-70.3000109.2
336V95.4Very high90.4Very high30 Ų3072 Ų7218%0.18234%0.341CS..  trans-81.7143.5-179.9-61.10000111.2F326 I329 I366 V367 F383 M386F326-V336 HydrophobicContact CD1-CG1 4.12Å; F326-V336 HydrophobicContact CD1-CG2 4.19Å; F326-V336 HydrophobicContact CE1-CB 4.47Å; F326-V336 HydrophobicContact CE1-CG1 4.35Å; F326-V336 HydrophobicContact CE1-CG2 4.28Å; I329-V336 HydrophobicContact CD1-CG2 3.9Å; I329-V336 HydrophobicContact CG1-CG1 4.36Å; I329-V336 HydrophobicContact CG1-CG2 4.41Å; V336-I366 HydrophobicContact CG2-CG2 3.89Å; V336-V367 HydrophobicContact CG2-CG2 4.46Å; V336-F383 HydrophobicContact CB-CD1 3.97Å; V336-F383 HydrophobicContact CB-CE1 4.23Å; V336-F383 HydrophobicContact CG2-CD1 4.29Å; V336-F383 HydrophobicContact CG2-CE1 4.05Å; V336-M386 HydrophobicContact CG1-SD 3.96Å
337K94.8Very high89.5Confident98 Ų9879.3 Ų79.343%0.42638%0.38SS..  trans-118.9117179.7-65.8178-176.6171.20109.4D243D243-K337 IonicContact OD1-NZ 3.61Å; D243-K337 PolarHBondContact OD1-NZ 3.07Å; D243-K337 VanDerWaalsContact OD2-CE 3.32Å; D243-K337 WeakPolarHBondContact OD2-CE 2.99Å; D243-K337 IonicContact OD2-NZ 2.73Å; D243-K337 PolarHBondContact OD2-NZ 3.2Å
338P95.2Very high88.6Confident1 Ų182 Ų821%0.00639%0.394CS..  trans-69.2134.3174.729-32.8000109.7I355 F370 M372 I381 F383P338-I355 HydrophobicContact CB-CD1 3.86Å; P338-I355 HydrophobicContact CG-CD1 4.06Å; P338-F370 HydrophobicContact CG-CD1 3.58Å; P338-F370 HydrophobicContact CG-CD2 4.04Å; P338-F370 HydrophobicContact CG-CE1 3.65Å; P338-F370 HydrophobicContact CG-CE2 4.08Å; P338-F370 HydrophobicContact CG-CG 3.8Å; P338-F370 HydrophobicContact CG-CZ 3.9Å; P338-M372 HydrophobicContact CB-SD 4.32Å; P338-M372 HydrophobicContact CG-SD 4.22Å; P338-I381 HydrophobicContact CB-CG2 3.63Å; P338-F383 HydrophobicContact CB-CE1 3.94Å; P338-F383 HydrophobicContact CB-CZ 3.99Å
339V93.6Very high88Confident26 Ų2685.2 Ų85.216%0.15842%0.417CS..EExtended strand (participates in β ladder)trans-118.8129.5175.4178.60000108.3L382V339-L382 HydrophobicContact CB-CB 4.17Å; V339-L382 PolarHBondContact N-O 2.81Å; V339-L382 PolarHBondContact O-N 2.91Å
340L90.4Very high87.6Confident23 Ų2383.6 Ų83.612%0.1241%0.409CS..EExtended strand (participates in β ladder)trans-77.9128.2178.3-55.4-179.5000109.8K342 P344 M372 P373 L375L340-K342 WeakPolarHBondContact CB-O 3.47Å; L340-P344 HydrophobicContact CD1-CG 4.45Å; L340-M372 HydrophobicContact CD2-SD 3.97Å; L340-P373 HydrophobicContact CD1-CG 3.48Å; L340-P373 VanDerWaalsContact CD1-CG 3.48Å; L340-L375 HydrophobicContact CD2-CD1 3.76Å; L340-L375 HydrophobicContact CD2-CD2 4.17Å
341Q84Confident87.3Confident43 Ų4380.1 Ų80.120%0.20139%0.389CS..SBendtrans-64.3-43.4175.2-174.4-85.7-22.400111.2D25 I28 W380 L382D25-Q341 PolarHBondContact OD1-NE2 3.21Å; I28-Q341 HydrophobicContact CD1-CG 3.76Å; Q341-W380 HydrophobicContact CB-CB 4.38Å; Q341-L382 HydrophobicContact CB-CD1 4.06Å; Q341-L382 HydrophobicContact CB-CD2 4.36Å; Q341-L382 HydrophobicContact CB-CG 4.1Å; Q341-L382 HydrophobicContact CG-CD1 4.28Å
342K78.6Confident87.3Confident132 Ų13272.8 Ų72.857%0.57436%0.364SS*.SBendtrans-86.1128.8172.9-61.1178.6-172.7151.60109.1L340 D379L340-K342 WeakPolarHBondContact CB-O 3.47Å; K342-D379 IonicContact NZ-OD1 3.8Å; K342-D379 PolarHBondContact NZ-OD1 3.38Å
343R76Confident87.3Confident231 Ų23172.1 Ų72.187%0.87236%0.36SS*.PPolyproline II helixtrans-60.8129172.4-70.8-172.5-176.6-160.10.2109.4
344P77.3Confident87.4Confident38 Ų3867.9 Ų67.925%0.24734%0.343CS..PPolyproline II helixtrans-62.4147.2173.124.6-30.5000109.9L340 P373L340-P344 HydrophobicContact CD1-CG 4.45Å; P344-P373 HydrophobicContact CB-CG 4.21Å
345K81.4Confident87.7Confident145 Ų14566.5 Ų66.563%0.6333%0.332SS*.PPolyproline II helixtrans-77.3149.5171.2-61.1173.4-177.1170.80108.8D347 D348K345-D347 PolarHBondContact O-N 3.41Å; K345-D347 VanDerWaalsContact O-N 3.09Å; K345-D348 PolarHBondContact N-OD2 3.07Å; K345-D348 WeakPolarHBondContact O-CB 3.45Å; K345-D348 PolarHBondContact O-N 3.41Å
346P75.1Confident87.9Confident112 Ų11261.4 Ų61.473%0.72731%0.306SS*.THydrogen-bonded Turntrans-54.8-31.3-179.2-2735000114.3
347D78.5Confident88.1Confident153 Ų15360.1 Ų60.182%0.81830%0.299SS*.THydrogen-bonded Turntrans-94.84-176.2-54.4-39.5000113.6K345 S349K345-D347 PolarHBondContact O-N 3.41Å; K345-D347 VanDerWaalsContact O-N 3.09Å; D347-S349 PolarHBondContact O-N 3.27Å
348D80.3Confident88.3Confident59 Ų5956.5 Ų56.532%0.31629%0.285SS..PPolyproline II helixtrans-69.3128.1-179.3-73.4-19.5000110.5K345 C350 P373K345-D348 PolarHBondContact N-OD2 3.07Å; K345-D348 WeakPolarHBondContact O-CB 3.45Å; K345-D348 PolarHBondContact O-N 3.41Å; D348-C350 PolarHBondContact O-N 3.48Å; D348-P373 HydrophobicContact CB-CB 4.09Å
349S85.5Confident88.4Confident71 Ų7157.4 Ų57.450%0.49729%0.291SS..PPolyproline II helixtrans-67.3129.8174.1-56.90000110.9D347 Y351 P373D347-S349 PolarHBondContact O-N 3.27Å; S349-Y351 WeakPolarHBondContact CB-OH 3.29Å; S349-Y351 WeakPolarHBondContact O-CE2 3.42Å; S349-P373 WeakPolarHBondContact O-CA 3.47Å
350C87.9Confident88.5Confident11 Ų1162.2 Ų62.27%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-87.6141.6174.5-61.40000110.9N310 D348 C453N310-C350 PolarHBondContact ND2-O 2.99Å; D348-C350 PolarHBondContact O-N 3.48Å; C350-C453 HydrophobicContact CB-CB 4.1Å; C350-C453 WeakPolarHBondContact CB-SG 3.42Å; C350-C453 WeakPolarHBondContact SG-CB 3.46Å; C350-C453 CovalentContact SG-SG 2.02Å; C350-C453 PolarHBondContact SG-SG 3.22Å
351Y90.6Very high88.8Confident28 Ų2863.5 Ų63.511%0.1133%0.331CS..EExtended strand (participates in β ladder)trans-126148.1176-57-74.9000110.5N310 K312 L314 S349 C353 N371 M372 E374N310-Y351 WeakPolarHBondContact OD1-CD1 3.03Å; N310-Y351 WeakPolarHBondContact OD1-CE1 3.46Å; K312-Y351 HydrophobicContact CD-CD1 4.26Å; K312-Y351 HydrophobicContact CD-CE1 4.03Å; K312-Y351 VanDerWaalsContact CE-CD1 3.43Å; K312-Y351 VanDerWaalsContact CE-OH 3.3Å; K312-Y351 WeakPolarHBondContact CE-OH 3.46Å; K312-Y351 HydrophobicContact CG-CD1 3.77Å; K312-Y351 HydrophobicContact CG-CE1 3.89Å; K312-Y351 VanDerWaalsContact NZ-CZ 3.32Å; K312-Y351 PolarHBondContact NZ-OH 3.09Å; K312-Y351 VanDerWaalsContact NZ-OH 3.15Å; L314-Y351 HydrophobicContact CD1-CD2 3.76Å; L314-Y351 HydrophobicContact CD1-CG 3.9Å; L314-Y351 HydrophobicContact CG-CG 4.46Å; S349-Y351 WeakPolarHBondContact CB-OH 3.29Å; S349-Y351 WeakPolarHBondContact O-CE2 3.42Å; Y351-C353 PolarHBondContact O-N 2.96Å; Y351-C353 PolarHBondContact O-SG 2.93Å; Y351-N371 WeakPolarHBondContact O-CA 3.17Å; Y351-M372 PolarHBondContact N-O 3.22Å; Y351-M372 PolarHBondContact O-N 3.21Å; Y351-M372 VanDerWaalsContact O-N 3.11Å; Y351-E374 HydrophobicContact CD2-CB 3.95Å; Y351-E374 HydrophobicContact CE2-CB 3.75Å
352S92.9Very high89.3Confident23 Ų2364.2 Ų64.216%0.16135%0.351CS..EExtended strand (participates in β ladder)trans-68116168.9176.50000109.2T313 L314 R369 N371T313-S352 WeakPolarHBondContact CA-O 3.36Å; T313-S352 WeakPolarHBondContact CB-O 3.32Å; L314-S352 PolarHBondContact N-O 3.2Å; L314-S352 VanDerWaalsContact N-O 3.08Å; S352-R369 PolarHBondContact OG-NH1 2.97Å; S352-N371 WeakPolarHBondContact CA-OD1 3.37Å
353C94.5Very high90.2Very high3 Ų364.7 Ų64.72%0.0236%0.359CS..EExtended strand (participates in β ladder)trans-117.3151.4-175.2-56.30000112.2L314 Y316 Y351 R369 F370 M372L314-C353 CarbonylContact O-C 3.51Å; L314-C353 WeakPolarHBondContact O-CA 3.31Å; Y316-C353 HydrophobicContact CD2-CB 4.15Å; Y316-C353 HydrophobicContact CE2-CB 3.84Å; Y351-C353 PolarHBondContact O-N 2.96Å; Y351-C353 PolarHBondContact O-SG 2.93Å; C353-R369 CarbonylContact O-C 3.52Å; C353-R369 VanDerWaalsContact O-CA 3.3Å; C353-R369 WeakPolarHBondContact O-CA 3.42Å; C353-F370 WeakPolarHBondContact CA-O 3.38Å; C353-F370 VanDerWaalsContact CB-O 3.29Å; C353-F370 WeakPolarHBondContact CB-O 3.44Å; C353-F370 PolarHBondContact N-O 2.99Å; C353-F370 PolarHBondContact O-N 2.99Å; C353-M372 HydrophobicContact CB-CE 4.02Å
354S96.9Very high91.2Very high17 Ų1753.8 Ų53.812%0.11932%0.318CS..EExtended strand (participates in β ladder)trans-120.1147.4165.257.90000110.2L314 Y316 W356 V367 E368L314-S354 PolarHBondContact O-N 3.35Å; Y316-S354 PolarHBondContact N-O 3.21Å; S354-W356 PolarHBondContact OG-NE1 3.01Å; S354-V367 WeakPolarHBondContact CA-O 3.46Å; S354-E368 WeakPolarHBondContact CB-O 3.19Å
355I98.5Very high92.2Very high0 Ų056.4 Ų56.40%032%0.323CS..EExtended strand (participates in β ladder)trans-120.9128.7-179.4-51.4176.8000109.1Y316 V318 P338 I366 V367 M372 I381 F383Y316-I355 CarbonylContact O-C 3.51Å; Y316-I355 WeakPolarHBondContact O-CA 3.42Å; V318-I355 HydrophobicContact CG1-CG2 4.11Å; V318-I355 HydrophobicContact CG2-CG2 3.97Å; P338-I355 HydrophobicContact CB-CD1 3.86Å; P338-I355 HydrophobicContact CG-CD1 4.06Å; I355-I366 HydrophobicContact CG2-CB 4.4Å; I355-I366 HydrophobicContact CG2-CD1 4.2Å; I355-I366 PolarHBondContact O-N 2.58Å; I355-V367 HydrophobicContact CB-CB 3.99Å; I355-V367 HydrophobicContact CB-CG2 4.25Å; I355-V367 HydrophobicContact CD1-CB 4.2Å; I355-V367 HydrophobicContact CD1-CG2 3.99Å; I355-V367 HydrophobicContact CG1-CB 4.11Å; I355-V367 HydrophobicContact CG1-CG2 4.39Å; I355-V367 PolarHBondContact N-O 2.82Å; I355-V367 PolarHBondContact O-N 2.83Å; I355-M372 HydrophobicContact CD1-CE 3.93Å; I355-M372 HydrophobicContact CG1-CE 4.24Å; I355-I381 HydrophobicContact CD1-CD1 4.07Å; I355-F383 HydrophobicContact CD1-CZ 4.46Å
356W98.8Very high93Very high46 Ų4650.1 Ų50.117%0.17430%0.296CS..EExtended strand (participates in β ladder)trans-123.4147.8-173.6-59.178.9000110.5M315 Y316 Y317 V318 S354 G362 D364 R365M315-W356 HydrophobicContact CE-CD2 4.5Å; M315-W356 HydrophobicContact CE-CZ2 3.66Å; Y316-W356 PolarHBondContact O-N 3.03Å; Y317-W356 CarbonylContact C-O 3.56Å; Y317-W356 WeakPolarHBondContact CA-O 3.24Å; Y317-W356 HydrophobicContact CD1-CB 3.62Å; Y317-W356 HydrophobicContact CD1-CG 4.29Å; Y317-W356 HydrophobicContact CE1-CB 3.86Å; Y317-W356 HydrophobicContact CE1-CG 4.07Å; Y317-W356 HydrophobicContact CG-CB 4.28Å; V318-W356 VanDerWaalsContact CG2-O 3.31Å; V318-W356 WeakPolarHBondContact CG2-O 3.35Å; V318-W356 PolarHBondContact N-O 2.96Å; S354-W356 PolarHBondContact OG-NE1 3.01Å; W356-G362 WeakPolarHBondContact CZ3-O 3.45Å; W356-D364 WeakPolarHBondContact CA-O 3.48Å; W356-R365 HydrophobicContact CD2-CB 4.22Å; W356-R365 HydrophobicContact CD2-CG 4Å; W356-R365 HydrophobicContact CE3-CB 3.7Å; W356-R365 HydrophobicContact CE3-CG 3.97Å; W356-R365 HydrophobicContact CH2-CB 4.28Å; W356-R365 HydrophobicContact CH2-CG 4.11Å; W356-R365 HydrophobicContact CZ2-CG 4.11Å; W356-R365 HydrophobicContact CZ3-CB 3.75Å; W356-R365 HydrophobicContact CZ3-CG 4.03Å
357G98.7Very high94.1Very high3 Ų345.5 Ų45.53%0.03127%0.265CS..  trans-78.7-177.617200000112.9V318 D364V318-G357 CarbonylContact O-C 3.5Å; G357-D364 VanDerWaalsContact C-OD2 3.25Å; G357-D364 WeakPolarHBondContact CA-OD1 3.4Å; G357-D364 WeakPolarHBondContact CA-OD2 3.46Å; G357-D364 PolarHBondContact N-O 3.02Å
358P98.6Very high94.8Very high21 Ų2143.8 Ų43.814%0.13625%0.253CS..SBendtrans-87.9-8-170.334.4-36.4000114.1I291 V318 D320 F400I291-P358 HydrophobicContact CD1-CB 4.15Å; V318-P358 WeakPolarHBondContact O-CB 3.42Å; V318-P358 WeakPolarHBondContact O-CD 3.11Å; D320-P358 VanDerWaalsContact C-CD 3.49Å; P358-F400 HydrophobicContact CB-CD1 3.98Å; P358-F400 HydrophobicContact CB-CD2 4.31Å; P358-F400 HydrophobicContact CB-CE1 3.72Å; P358-F400 HydrophobicContact CB-CE2 4.07Å; P358-F400 HydrophobicContact CB-CG 4.28Å; P358-F400 HydrophobicContact CB-CZ 3.76Å; P358-F400 HydrophobicContact CG-CD1 4.06Å; P358-F400 HydrophobicContact CG-CD2 3.99Å; P358-F400 HydrophobicContact CG-CE1 4.28Å; P358-F400 HydrophobicContact CG-CE2 4.22Å; P358-F400 HydrophobicContact CG-CG 3.92Å; P358-F400 HydrophobicContact CG-CZ 4.35Å; P358-F400 VanDerWaalsContact O-CE2 3.31Å; P358-F400 WeakPolarHBondContact O-CE2 3.32Å; P358-F400 WeakPolarHBondContact O-CZ 3.47Å
359T98.4Very high95.4Very high20 Ų2047.8 Ų47.812%0.12326%0.263CS..SBendtrans-76.6166.8-170.970.60000113.2Y323 D361 D364 F397 N398 F400Y323-T359 HydrophobicContact CD2-CG2 3.94Å; Y323-T359 HydrophobicContact CG-CG2 4.49Å; T359-D361 PolarHBondContact O-N 3.47Å; T359-D361 PolarHBondContact OG1-N 3.26Å; T359-D364 VanDerWaalsContact CB-OD2 3.29Å; T359-D364 WeakPolarHBondContact CB-OD2 3.19Å; T359-D364 VanDerWaalsContact CG2-OD2 3.24Å; T359-D364 WeakPolarHBondContact CG2-OD2 3.31Å; T359-D364 PolarHBondContact N-OD2 3.05Å; T359-D364 WeakPolarHBondContact OG1-CB 3.24Å; T359-D364 VanDerWaalsContact OG1-CG 3.23Å; T359-D364 PolarHBondContact OG1-OD2 3.07Å; T359-F397 HydrophobicContact CG2-CD1 4.1Å; T359-N398 WeakPolarHBondContact CB-OD1 3.07Å; T359-N398 HydrophobicContact CG2-CB 4.49Å; T359-F400 HydrophobicContact CG2-CD2 4.05Å; T359-F400 HydrophobicContact CG2-CE2 4.21Å
360C96.6Very high95.7Very high128 Ų12846.5 Ų46.587%0.86525%0.249SC*.SBendtrans-78.54.6173.9-600000113.2N398C360-N398 PolarHBondContact N-OD1 2.81Å
361D95.8Very high95.8Very high49 Ų4947.1 Ų47.126%0.26225%0.251SS..  trans-89.1127.7-179.2-168.9-12.7000111Y323 T359 L363 D364Y323-D361 HydrophobicContact CE2-CB 3.97Å; Y323-D361 WeakPolarHBondContact CE2-OD2 3.47Å; Y323-D361 PolarHBondContact OH-OD2 3.5Å; T359-D361 PolarHBondContact O-N 3.47Å; T359-D361 PolarHBondContact OG1-N 3.26Å; D361-L363 PolarHBondContact O-N 2.76Å; D361-L363 PolarHBondContact OD1-N 2.97Å; D361-D364 HydrophobicContact CB-CB 4.45Å; D361-D364 WeakPolarHBondContact O-CB 3.36Å; D361-D364 PolarHBondContact O-N 2.69Å; D361-D364 VanDerWaalsContact O-N 3.09Å
362G95.5Very high95.8Very high59 Ų5945.8 Ų45.861%0.60825%0.246SC*.THydrogen-bonded Turntrans-67.4-917500000114.2W356W356-G362 WeakPolarHBondContact CZ3-O 3.45Å
363L96.3Very high95.8Very high142 Ų14245.1 Ų45.174%0.74324%0.241SC*.THydrogen-bonded Turntrans-92-5172.7-62.4-179.9000113.5D361 R365D361-L363 PolarHBondContact O-N 2.76Å; D361-L363 PolarHBondContact OD1-N 2.97Å; L363-R365 PolarHBondContact O-N 2.79Å
364D98.2Very high95.7Very high2 Ų248.1 Ų48.11%0.01126%0.255CS..  trans-77.164.6176.6-169.613.9000111.6G321 V322 W356 G357 T359 D361G321-D364 VanDerWaalsContact CA-OD1 3.29Å; G321-D364 WeakPolarHBondContact CA-OD1 3.41Å; V322-D364 HydrophobicContact CG2-CB 4.11Å; V322-D364 WeakPolarHBondContact CG2-OD1 3.44Å; V322-D364 PolarHBondContact N-OD1 2.67Å; W356-D364 WeakPolarHBondContact CA-O 3.48Å; G357-D364 VanDerWaalsContact C-OD2 3.25Å; G357-D364 WeakPolarHBondContact CA-OD1 3.4Å; G357-D364 WeakPolarHBondContact CA-OD2 3.46Å; G357-D364 PolarHBondContact N-O 3.02Å; T359-D364 VanDerWaalsContact CB-OD2 3.29Å; T359-D364 WeakPolarHBondContact CB-OD2 3.19Å; T359-D364 VanDerWaalsContact CG2-OD2 3.24Å; T359-D364 WeakPolarHBondContact CG2-OD2 3.31Å; T359-D364 PolarHBondContact N-OD2 3.05Å; T359-D364 WeakPolarHBondContact OG1-CB 3.24Å; T359-D364 VanDerWaalsContact OG1-CG 3.23Å; T359-D364 PolarHBondContact OG1-OD2 3.07Å; D361-D364 HydrophobicContact CB-CB 4.45Å; D361-D364 WeakPolarHBondContact O-CB 3.36Å; D361-D364 PolarHBondContact O-N 2.69Å; D361-D364 VanDerWaalsContact O-N 3.09Å
365R98.3Very high95.6Very high93 Ų9348.2 Ų48.235%0.35125%0.254SS..EExtended strand (participates in β ladder)trans-116.3119-179.3-170.2175.467.8166.85109W356 L363 E368W356-R365 HydrophobicContact CD2-CB 4.22Å; W356-R365 HydrophobicContact CD2-CG 4Å; W356-R365 HydrophobicContact CE3-CB 3.7Å; W356-R365 HydrophobicContact CE3-CG 3.97Å; W356-R365 HydrophobicContact CH2-CB 4.28Å; W356-R365 HydrophobicContact CH2-CG 4.11Å; W356-R365 HydrophobicContact CZ2-CG 4.11Å; W356-R365 HydrophobicContact CZ3-CB 3.75Å; W356-R365 HydrophobicContact CZ3-CG 4.03Å; L363-R365 PolarHBondContact O-N 2.79Å; R365-E368 VanDerWaalsContact CZ-CD 3.46Å; R365-E368 IonicContact CZ-OE1 3.25Å; R365-E368 VanDerWaalsContact CZ-OE1 3.25Å; R365-E368 IonicContact CZ-OE2 3.97Å; R365-E368 VanDerWaalsContact NH1-CD 3.34Å; R365-E368 IonicContact NH1-OE1 3.55Å; R365-E368 PolarHBondContact NH1-OE1 2.93Å; R365-E368 IonicContact NH2-OE1 2.9Å; R365-E368 PolarHBondContact NH2-OE1 3Å; R365-E368 IonicContact NH2-OE2 3.19Å; R365-E368 PolarHBondContact NH2-OE2 3.39Å
366I98.2Very high95.4Very high12 Ų1253.5 Ų53.56%0.06228%0.278CS..EExtended strand (participates in β ladder)trans-87.4-45.1-175.9-55.5167.6000110.1V318 D320 F326 I329 V336 I355 F383V318-I366 HydrophobicContact CG2-CD1 3.46Å; V318-I366 VanDerWaalsContact CG2-CD1 3.46Å; D320-I366 VanDerWaalsContact O-CD1 3.31Å; D320-I366 WeakPolarHBondContact O-CD1 2.96Å; F326-I366 HydrophobicContact CB-CG1 4.45Å; F326-I366 HydrophobicContact CB-CG2 4.48Å; F326-I366 HydrophobicContact CD1-CG2 3.48Å; F326-I366 VanDerWaalsContact CD1-CG2 3.48Å; F326-I366 HydrophobicContact CD2-CD1 3.78Å; F326-I366 HydrophobicContact CD2-CG1 4.15Å; F326-I366 HydrophobicContact CD2-CG2 4.38Å; F326-I366 HydrophobicContact CE1-CG2 3.65Å; F326-I366 HydrophobicContact CE2-CD1 3.8Å; F326-I366 HydrophobicContact CG-CD1 4.25Å; F326-I366 HydrophobicContact CG-CG1 4.16Å; F326-I366 HydrophobicContact CG-CG2 3.87Å; F326-I366 HydrophobicContact CZ-CD1 4.29Å; F326-I366 HydrophobicContact CZ-CG2 4.18Å; I329-I366 HydrophobicContact CD1-CG2 4.04Å; I329-I366 WeakPolarHBondContact CD1-O 3.03Å; V336-I366 HydrophobicContact CG2-CG2 3.89Å; I355-I366 HydrophobicContact CG2-CB 4.4Å; I355-I366 HydrophobicContact CG2-CD1 4.2Å; I355-I366 PolarHBondContact O-N 2.58Å; I366-F383 HydrophobicContact CG2-CE1 4.46Å; I366-F383 HydrophobicContact CG2-CZ 4.4Å
367V97.1Very high95.4Very high15 Ų1555.6 Ų55.69%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-134119.9-179.6-175.90000109V336 S354 I355 F370V336-V367 HydrophobicContact CG2-CG2 4.46Å; S354-V367 WeakPolarHBondContact CA-O 3.46Å; I355-V367 HydrophobicContact CB-CB 3.99Å; I355-V367 HydrophobicContact CB-CG2 4.25Å; I355-V367 HydrophobicContact CD1-CB 4.2Å; I355-V367 HydrophobicContact CD1-CG2 3.99Å; I355-V367 HydrophobicContact CG1-CB 4.11Å; I355-V367 HydrophobicContact CG1-CG2 4.39Å; I355-V367 PolarHBondContact N-O 2.82Å; I355-V367 PolarHBondContact O-N 2.83Å; V367-F370 HydrophobicContact CG1-CB 3.64Å
368E93.9Very high95.2Very high118 Ų11856.1 Ų56.155%0.55130%0.302SS*.EExtended strand (participates in β ladder)trans-70.2-48.3179.7172.4156.4-133.300112.4S354 R365S354-E368 WeakPolarHBondContact CB-O 3.19Å; R365-E368 VanDerWaalsContact CZ-CD 3.46Å; R365-E368 IonicContact CZ-OE1 3.25Å; R365-E368 VanDerWaalsContact CZ-OE1 3.25Å; R365-E368 IonicContact CZ-OE2 3.97Å; R365-E368 VanDerWaalsContact NH1-CD 3.34Å; R365-E368 IonicContact NH1-OE1 3.55Å; R365-E368 PolarHBondContact NH1-OE1 2.93Å; R365-E368 IonicContact NH2-OE1 2.9Å; R365-E368 PolarHBondContact NH2-OE1 3Å; R365-E368 IonicContact NH2-OE2 3.19Å; R365-E368 PolarHBondContact NH2-OE2 3.39Å
369R92.9Very high95.1Very high143 Ų14356.5 Ų56.554%0.5430%0.302SS..EExtended strand (participates in β ladder)trans-148.1126.8-179.2-174.3178.9-65.6-101.86.7110.6S352 C353S352-R369 PolarHBondContact OG-NH1 2.97Å; C353-R369 CarbonylContact O-C 3.52Å; C353-R369 VanDerWaalsContact O-CA 3.3Å; C353-R369 WeakPolarHBondContact O-CA 3.42Å
370F91.1Very high95Very high43 Ų4356.4 Ų56.419%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-153.8137.5173.3-167.8-91.9000110P338 C353 V367 M372 Y449P338-F370 HydrophobicContact CG-CD1 3.58Å; P338-F370 HydrophobicContact CG-CD2 4.04Å; P338-F370 HydrophobicContact CG-CE1 3.65Å; P338-F370 HydrophobicContact CG-CE2 4.08Å; P338-F370 HydrophobicContact CG-CG 3.8Å; P338-F370 HydrophobicContact CG-CZ 3.9Å; C353-F370 WeakPolarHBondContact CA-O 3.38Å; C353-F370 VanDerWaalsContact CB-O 3.29Å; C353-F370 WeakPolarHBondContact CB-O 3.44Å; C353-F370 PolarHBondContact N-O 2.99Å; C353-F370 PolarHBondContact O-N 2.99Å; V367-F370 HydrophobicContact CG1-CB 3.64Å; F370-M372 HydrophobicContact CD1-CG 3.28Å; F370-M372 HydrophobicContact CD1-SD 3.61Å; F370-M372 HydrophobicContact CE1-CG 3.65Å; F370-M372 HydrophobicContact CE1-SD 3.93Å; F370-M372 HydrophobicContact CG-CG 4.49Å; F370-Y449 HydrophobicContact CE1-CE1 4.47Å; F370-Y449 HydrophobicContact CZ-CE2 4.5Å; F370-Y449 AromaticContact CZ-CZ 3.98Å
371N90.8Very high95.1Very high24 Ų2450.3 Ų50.313%0.12826%0.259CS..EExtended strand (participates in β ladder)trans-87.9121-177.6-68.3-33000110.1Y351 S352 S455Y351-N371 WeakPolarHBondContact O-CA 3.17Å; S352-N371 WeakPolarHBondContact CA-OD1 3.37Å; N371-S455 PolarHBondContact ND2-O 3.4Å; N371-S455 PolarHBondContact ND2-OG 2.83Å; N371-S455 VanDerWaalsContact ND2-OG 3.1Å
372M89.9Confident95.2Very high0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-141.3156.1-179.7-52-165.1-68.300110.6Y316 P338 L340 Y351 C353 I355 F370 L375 I381Y316-M372 HydrophobicContact CD2-CE 3.93Å; Y316-M372 HydrophobicContact CE2-CE 3.89Å; P338-M372 HydrophobicContact CB-SD 4.32Å; P338-M372 HydrophobicContact CG-SD 4.22Å; L340-M372 HydrophobicContact CD2-SD 3.97Å; Y351-M372 PolarHBondContact N-O 3.22Å; Y351-M372 PolarHBondContact O-N 3.21Å; Y351-M372 VanDerWaalsContact O-N 3.11Å; C353-M372 HydrophobicContact CB-CE 4.02Å; I355-M372 HydrophobicContact CD1-CE 3.93Å; I355-M372 HydrophobicContact CG1-CE 4.24Å; F370-M372 HydrophobicContact CD1-CG 3.28Å; F370-M372 HydrophobicContact CD1-SD 3.61Å; F370-M372 HydrophobicContact CE1-CG 3.65Å; F370-M372 HydrophobicContact CE1-SD 3.93Å; F370-M372 HydrophobicContact CG-CG 4.49Å; M372-L375 HydrophobicContact CE-CD1 4.17Å; M372-I381 HydrophobicContact CE-CD1 4.48Å
373P92.3Very high95.3Very high10 Ų1045.8 Ų45.87%0.06522%0.22CC..EExtended strand (participates in β ladder)trans-54.5161161.529.4-39.6000111.6L340 P344 D348 S349 L375L340-P373 HydrophobicContact CD1-CG 3.48Å; L340-P373 VanDerWaalsContact CD1-CG 3.48Å; P344-P373 HydrophobicContact CB-CG 4.21Å; D348-P373 HydrophobicContact CB-CB 4.09Å; S349-P373 WeakPolarHBondContact O-CA 3.47Å; P373-L375 HydrophobicContact CG-CD2 4.47Å; P373-L375 PolarHBondContact O-N 3.31Å
374E92.9Very high95.4Very high65 Ų6541.2 Ų41.230%0.30420%0.195SC..  trans-66.3121.8172.9-175.7162.8-177.900110.7K293 K312 L314 Y351K293-E374 VanDerWaalsContact NZ-CD 3.33Å; K293-E374 IonicContact NZ-OE1 2.65Å; K293-E374 PolarHBondContact NZ-OE1 3.45Å; K312-E374 IonicContact NZ-OE2 2.69Å; K312-E374 PolarHBondContact NZ-OE2 2.72Å; L314-E374 HydrophobicContact CD1-CB 4.08Å; L314-E374 HydrophobicContact CD1-CG 3.96Å; Y351-E374 HydrophobicContact CD2-CB 3.95Å; Y351-E374 HydrophobicContact CE2-CB 3.75Å
375L94.3Very high95.4Very high19 Ų1943.4 Ų43.410%0.09921%0.207CC..  trans-106.1165.9176.7-55.9176.5000110.3I290 K293 Y316 L340 M372 P373 I381I290-L375 HydrophobicContact CD1-CB 3.55Å; I290-L375 HydrophobicContact CD1-CD1 3.73Å; I290-L375 HydrophobicContact CD1-CG 4.3Å; K293-L375 WeakPolarHBondContact CD-O 3.36Å; K293-L375 WeakPolarHBondContact CE-O 3.45Å; K293-L375 PolarHBondContact NZ-O 3.35Å; Y316-L375 HydrophobicContact CE1-CB 3.88Å; Y316-L375 WeakPolarHBondContact CE1-O 3.46Å; Y316-L375 PolarHBondContact OH-N 3.19Å; L340-L375 HydrophobicContact CD2-CD1 3.76Å; L340-L375 HydrophobicContact CD2-CD2 4.17Å; M372-L375 HydrophobicContact CE-CD1 4.17Å; P373-L375 HydrophobicContact CG-CD2 4.47Å; P373-L375 PolarHBondContact O-N 3.31Å; L375-I381 HydrophobicContact CD1-CD1 4.15Å; L375-I381 HydrophobicContact CD1-CG1 4.17Å
376H95.7Very high95.4Very high111 Ų11139.2 Ų39.251%0.51419%0.192SC..  trans-122.6159.7-177.9-60.3-78.6000112.5G378 D379H376-G378 PolarHBondContact O-N 3.34Å; H376-D379 IonicContact CD2-OD2 3.25Å; H376-D379 PolarHBondContact N-OD2 2.82Å; H376-D379 WeakPolarHBondContact O-CB 3.48Å; H376-D379 PolarHBondContact O-N 2.96Å
377V97.2Very high95.4Very high91 Ų9138.7 Ų38.755%0.55219%0.189SC*.THydrogen-bonded Turntrans-57.3132170.2174.90000108.6I290 K293I290-V377 CarbonylContact O-C 3.58Å; I290-V377 WeakPolarHBondContact O-CA 3.48Å; I290-V377 WeakPolarHBondContact O-CG1 3.22Å; K293-V377 HydrophobicContact CB-CG2 4.23Å
378G95.6Very high95.5Very high14 Ų1438.2 Ų38.214%0.14419%0.187CC..THydrogen-bonded Turntrans92.2-10.4-174.400000115.2N289 I290 H376N289-G378 VanDerWaalsContact ND2-C 3.3Å; N289-G378 PolarHBondContact ND2-O 2.76Å; N289-G378 WeakPolarHBondContact OD1-CA 3.34Å; I290-G378 PolarHBondContact O-N 3.09Å; H376-G378 PolarHBondContact O-N 3.34Å
379D95.8Very high95.7Very high28 Ų2835.2 Ų35.215%0.1517%0.171CC..  trans-73.4157.8168.8-74-41.1000111.3N289 I290 K342 H376N289-D379 PolarHBondContact ND2-O 3.49Å; I290-D379 HydrophobicContact CD1-CB 4.22Å; I290-D379 PolarHBondContact N-O 3.27Å; K342-D379 IonicContact NZ-OD1 3.8Å; K342-D379 PolarHBondContact NZ-OD1 3.38Å; H376-D379 IonicContact CD2-OD2 3.25Å; H376-D379 PolarHBondContact N-OD2 2.82Å; H376-D379 WeakPolarHBondContact O-CB 3.48Å; H376-D379 PolarHBondContact O-N 2.96Å
380W97.2Very high96Very high19 Ų1928.5 Ų28.57%0.07215%0.145CC..EExtended strand (participates in β ladder)trans-107.8140-177.6-65.987.4000111.8I28 V31 K37 D38 F40 A287 V288 N289 Q341I28-W380 HydrophobicContact CD1-CB 4.01Å; I28-W380 HydrophobicContact CD1-CD2 4.22Å; I28-W380 HydrophobicContact CD1-CG 3.94Å; I28-W380 HydrophobicContact CG1-CD2 4Å; I28-W380 HydrophobicContact CG1-CG 4.05Å; I28-W380 VanDerWaalsContact CG2-CD1 3.46Å; I28-W380 HydrophobicContact CG2-CG 4.08Å; V31-W380 HydrophobicContact CG2-CZ2 3.75Å; K37-W380 HydrophobicContact CB-CH2 4.08Å; K37-W380 HydrophobicContact CB-CZ2 3.71Å; K37-W380 HydrophobicContact CD-CZ2 4.4Å; K37-W380 HydrophobicContact CG-CZ2 4.11Å; K37-W380 WeakPolarHBondContact O-CH2 3.34Å; D38-W380 WeakPolarHBondContact O-CH2 3.31Å; F40-W380 AromaticContact CD1-CH2 3.95Å; F40-W380 HydrophobicContact CD1-CH2 3.95Å; F40-W380 AromaticContact CD1-CZ3 3.9Å; F40-W380 HydrophobicContact CD1-CZ3 3.9Å; F40-W380 HydrophobicContact CE1-CE3 4.36Å; F40-W380 AromaticContact CE1-CH2 3.77Å; F40-W380 HydrophobicContact CE1-CH2 3.77Å; F40-W380 HydrophobicContact CE1-CZ2 4.42Å; F40-W380 AromaticContact CE1-CZ3 3.73Å; F40-W380 HydrophobicContact CE1-CZ3 3.73Å; A287-W380 HydrophobicContact CB-CE3 3.81Å; A287-W380 HydrophobicContact CB-CZ3 4.08Å; V288-W380 WeakPolarHBondContact O-CA 3.25Å; N289-W380 HydrophobicContact CB-CD2 4.42Å; N289-W380 HydrophobicContact CB-CE3 4.18Å; N289-W380 HydrophobicContact CB-CH2 4.23Å; N289-W380 HydrophobicContact CB-CZ2 4.46Å; N289-W380 HydrophobicContact CB-CZ3 4.09Å; Q341-W380 HydrophobicContact CB-CB 4.38Å
381I97.4Very high96.3Very high0 Ų027.5 Ų27.50%014%0.143CC..EExtended strand (participates in β ladder)trans-116.5133.4169.8-55.2178.1000107.7V288 I290 V318 P338 I355 M372 L375 F383V288-I381 HydrophobicContact CG2-CB 4.02Å; V288-I381 WeakPolarHBondContact CG2-O 3.4Å; V288-I381 PolarHBondContact N-O 2.93Å; V288-I381 PolarHBondContact O-N 3.17Å; I290-I381 HydrophobicContact CD1-CD1 3.99Å; I290-I381 HydrophobicContact CD1-CG1 4.19Å; I290-I381 HydrophobicContact CG1-CD1 4Å; I290-I381 HydrophobicContact CG1-CG1 4.19Å; V318-I381 HydrophobicContact CG1-CD1 4.3Å; P338-I381 HydrophobicContact CB-CG2 3.63Å; I355-I381 HydrophobicContact CD1-CD1 4.07Å; M372-I381 HydrophobicContact CE-CD1 4.48Å; L375-I381 HydrophobicContact CD1-CD1 4.15Å; L375-I381 HydrophobicContact CD1-CG1 4.17Å; I381-F383 HydrophobicContact CB-CE2 4.23Å; I381-F383 HydrophobicContact CG2-CD2 4.28Å; I381-F383 HydrophobicContact CG2-CE2 3.59Å; I381-F383 HydrophobicContact CG2-CZ 3.9Å
382L98.2Very high96.6Very high11 Ų1128.1 Ų28.16%0.05815%0.152CC..EExtended strand (participates in β ladder)trans-103.2145.6-179.1-47.9-177.2000110.3L24 I28 T285 L286 A287 V339 Q341L24-L382 HydrophobicContact CD1-CD2 4.26Å; L24-L382 HydrophobicContact CD2-CD1 3.62Å; L24-L382 HydrophobicContact CD2-CD2 3.74Å; L24-L382 HydrophobicContact CD2-CG 4.34Å; L24-L382 HydrophobicContact CG-CD2 4.47Å; I28-L382 HydrophobicContact CD1-CD2 4.01Å; T285-L382 HydrophobicContact CG2-CB 4.45Å; L286-L382 CarbonylContact O-C 3.56Å; L286-L382 WeakPolarHBondContact O-CA 3.43Å; A287-L382 HydrophobicContact CB-CD2 3.72Å; V339-L382 HydrophobicContact CB-CB 4.17Å; V339-L382 PolarHBondContact N-O 2.81Å; V339-L382 PolarHBondContact O-N 2.91Å; Q341-L382 HydrophobicContact CB-CD1 4.06Å; Q341-L382 HydrophobicContact CB-CD2 4.36Å; Q341-L382 HydrophobicContact CB-CG 4.1Å; Q341-L382 HydrophobicContact CG-CD1 4.28Å
383F98.3Very high97Very high1 Ų130.7 Ų30.70%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-131.8104.9173.3-66.3-91000108.6L286 V288 F326 V336 P338 I355 I366 I381 M386L286-F383 HydrophobicContact CB-CB 4.32Å; L286-F383 PolarHBondContact N-O 3.16Å; L286-F383 PolarHBondContact O-N 2.8Å; V288-F383 HydrophobicContact CG2-CD2 4.18Å; V288-F383 HydrophobicContact CG2-CE2 3.72Å; F326-F383 HydrophobicContact CE1-CB 4.42Å; F326-F383 AromaticContact CE1-CD1 3.78Å; F326-F383 HydrophobicContact CE1-CD1 3.78Å; F326-F383 HydrophobicContact CE1-CD2 4Å; F326-F383 AromaticContact CE1-CE1 3.9Å; F326-F383 HydrophobicContact CE1-CE1 3.9Å; F326-F383 HydrophobicContact CE1-CE2 4.13Å; F326-F383 AromaticContact CE1-CG 3.81Å; F326-F383 HydrophobicContact CE1-CG 3.81Å; F326-F383 HydrophobicContact CE1-CZ 4.07Å; F326-F383 HydrophobicContact CZ-CD1 4.23Å; F326-F383 AromaticContact CZ-CD2 3.59Å; F326-F383 HydrophobicContact CZ-CD2 3.59Å; F326-F383 HydrophobicContact CZ-CE1 4.28Å; F326-F383 AromaticContact CZ-CE2 3.67Å; F326-F383 HydrophobicContact CZ-CE2 3.67Å; F326-F383 AromaticContact CZ-CG 3.87Å; F326-F383 HydrophobicContact CZ-CG 3.87Å; F326-F383 HydrophobicContact CZ-CZ 4.01Å; V336-F383 HydrophobicContact CB-CD1 3.97Å; V336-F383 HydrophobicContact CB-CE1 4.23Å; V336-F383 HydrophobicContact CG2-CD1 4.29Å; V336-F383 HydrophobicContact CG2-CE1 4.05Å; P338-F383 HydrophobicContact CB-CE1 3.94Å; P338-F383 HydrophobicContact CB-CZ 3.99Å; I355-F383 HydrophobicContact CD1-CZ 4.46Å; I366-F383 HydrophobicContact CG2-CE1 4.46Å; I366-F383 HydrophobicContact CG2-CZ 4.4Å; I381-F383 HydrophobicContact CB-CE2 4.23Å; I381-F383 HydrophobicContact CG2-CD2 4.28Å; I381-F383 HydrophobicContact CG2-CE2 3.59Å; I381-F383 HydrophobicContact CG2-CZ 3.9Å; F383-M386 HydrophobicContact CB-CG 3.74Å; F383-M386 WeakPolarHBondContact O-CG 3.15Å
384E97.8Very high97.3Very high46 Ų4630.5 Ų30.522%0.21517%0.172CC..  trans-76.2167176.4-61.4-179.2164.500111.1T285 M386T285-E384 HydrophobicContact CG2-CG 4.16Å; E384-M386 PolarHBondContact O-N 3.27Å
385N98.2Very high97.6Very high48 Ų4829.8 Ų29.826%0.25717%0.174SC..SBendtrans60.828.9176.9-51.3-61000114.4S241 A281 F284 G387S241-N385 WeakPolarHBondContact CB-OD1 3.47Å; A281-N385 CarbonylContact O-C 3.49Å; A281-N385 WeakPolarHBondContact O-CA 3.31Å; F284-N385 PolarHBondContact O-N 3.17Å; N385-G387 PolarHBondContact O-N 3.24Å
386M98.7Very high97.8Very high6 Ų632 Ų323%0.0319%0.189CC..  trans-96.527.6-171.7-79.4-67.1-73.800113.7Y41 A281 F284 L286 F326 V336 F383 E384 T390Y41-M386 HydrophobicContact CE1-CB 3.78Å; Y41-M386 PolarHBondContact OH-O 3.33Å; A281-M386 PolarHBondContact O-N 3.26Å; F284-M386 PolarHBondContact O-N 3.34Å; L286-M386 HydrophobicContact CB-CB 4.21Å; L286-M386 HydrophobicContact CB-CG 4.31Å; L286-M386 HydrophobicContact CD2-CE 3.98Å; F326-M386 HydrophobicContact CD1-CE 3.93Å; F326-M386 HydrophobicContact CE1-CE 3.91Å; F326-M386 HydrophobicContact CG-CE 4.45Å; F326-M386 HydrophobicContact CZ-CE 4.42Å; V336-M386 HydrophobicContact CG1-SD 3.96Å; F383-M386 HydrophobicContact CB-CG 3.74Å; F383-M386 WeakPolarHBondContact O-CG 3.15Å; E384-M386 PolarHBondContact O-N 3.27Å; M386-T390 HydrophobicContact CB-CG2 4.43Å; M386-T390 HydrophobicContact CE-CG2 3.64Å; M386-T390 WeakPolarHBondContact O-CB 3.49Å; M386-T390 VanDerWaalsContact O-CG2 3.32Å; M386-T390 WeakPolarHBondContact O-CG2 3.49Å; M386-T390 PolarHBondContact O-OG1 3.4Å; M386-T390 HydrophobicContact SD-CG2 3.89Å
387G98.5Very high97.9Very high0 Ų031 Ų310%018%0.183CC..  trans-97.1-11.2-174.800000116.4N71 V280 A281 F284 N385N71-G387 PolarHBondContact ND2-O 2.97Å; V280-G387 WeakPolarHBondContact CG2-O 3.29Å; V280-G387 WeakPolarHBondContact O-CA 3.32Å; A281-G387 PolarHBondContact O-N 2.74Å; A281-G387 VanDerWaalsContact O-N 3.09Å; F284-G387 VanDerWaalsContact CB-CA 3.49Å; N385-G387 PolarHBondContact O-N 3.24Å
388A98.4Very high98Very high6 Ų630.1 Ų30.15%0.0518%0.175CC..SBendtrans-114.5125.7-174.500000111.5C70 R277 V280 A281 T390C70-A388 VanDerWaalsContact SG-CB 3.59Å; R277-A388 HydrophobicContact CB-CB 3.98Å; R277-A388 HydrophobicContact CG-CB 3.7Å; V280-A388 HydrophobicContact CG2-CB 4.15Å; A281-A388 HydrophobicContact CB-CB 3.95Å; A388-T390 PolarHBondContact O-N 2.63Å
389Y98.1Very high98.1Very high54 Ų5431.7 Ų31.721%0.21219%0.192CC..SBendtrans56.632.7178.5-50.7-78.8000114C70 R277 N327 C328C70-Y389 HydrophobicContact CB-CE1 4.15Å; C70-Y389 HydrophobicContact CB-CE2 4.34Å; C70-Y389 PolarHBondContact O-N 3.39Å; C70-Y389 VanDerWaalsContact SG-CE2 3.58Å; R277-Y389 HydrophobicContact CB-CE2 4.31Å; N327-Y389 PolarHBondContact OD1-O 2.55Å; C328-Y389 WeakPolarHBondContact CB-O 3.49Å
390T98.8Very high98.2Very high2 Ų234.3 Ų34.31%0.01220%0.202CC..SBendtrans-106.4-88.6177510000109.6N327 C328 M386 A388 A392 A393 A394N327-T390 PolarHBondContact ND2-O 2.81Å; C328-T390 HydrophobicContact CB-CG2 4.21Å; M386-T390 HydrophobicContact CB-CG2 4.43Å; M386-T390 HydrophobicContact CE-CG2 3.64Å; M386-T390 WeakPolarHBondContact O-CB 3.49Å; M386-T390 VanDerWaalsContact O-CG2 3.32Å; M386-T390 WeakPolarHBondContact O-CG2 3.49Å; M386-T390 PolarHBondContact O-OG1 3.4Å; M386-T390 HydrophobicContact SD-CG2 3.89Å; A388-T390 PolarHBondContact O-N 2.63Å; T390-A392 PolarHBondContact O-N 2.77Å; T390-A392 VanDerWaalsContact O-N 3.11Å; T390-A393 PolarHBondContact O-N 3.42Å; T390-A393 VanDerWaalsContact O-N 3.1Å; T390-A394 PolarHBondContact O-N 2.64Å
391V98.4Very high98.3Very high22 Ų2240.5 Ų40.513%0.13323%0.231CC..G310 helixtrans-57.5-30.4-178.2-62.20000113.3Y41 A393 A394 I405Y41-V391 HydrophobicContact CD2-CG1 4.19Å; Y41-V391 HydrophobicContact CE2-CG1 3.54Å; V391-A393 PolarHBondContact O-N 3.1Å; V391-A394 PolarHBondContact O-N 2.86Å; V391-I405 HydrophobicContact CG1-CD1 4.4Å
392A98.1Very high98.3Very high38 Ų3847.3 Ų47.331%0.31426%0.257SS..G310 helixtrans-63-27.7-18000000113.6T390T390-A392 PolarHBondContact O-N 2.77Å; T390-A392 VanDerWaalsContact O-N 3.11Å
393A98.1Very high98.4Very high53 Ų5347.6 Ų47.644%0.43826%0.259SS..G310 helixtrans-115.97.1-178.500000113N327 T390 V391N327-A393 WeakPolarHBondContact OD1-CB 3.45Å; T390-A393 PolarHBondContact O-N 3.42Å; T390-A393 VanDerWaalsContact O-N 3.1Å; V391-A393 PolarHBondContact O-N 3.1Å
394A98.4Very high98.3Very high7 Ų751.3 Ų51.36%0.05828%0.283CS..  trans-71.8135.7179.200000112G324 T390 V391 R402G324-A394 WeakPolarHBondContact O-CB 3.45Å; T390-A394 PolarHBondContact O-N 2.64Å; V391-A394 PolarHBondContact O-N 2.86Å; A394-R402 HydrophobicContact CB-CG 4.46Å; A394-R402 PolarHBondContact O-NE 2.91Å; A394-R402 PolarHBondContact O-NH2 2.73Å
395S98.4Very high98.3Very high49 Ų4951 Ų5134%0.34328%0.282SS..  trans-104.5176.9172.877.30000111.4Y323 F397Y323-S395 PolarHBondContact O-N 2.99Å; Y323-S395 PolarHBondContact O-OG 2.67Å; S395-F397 PolarHBondContact OG-N 2.84Å
396T98.6Very high98.3Very high66 Ų6653.2 Ų53.241%0.40529%0.287SS..  trans-113.139170.860.40000110.8G399 F400 R402T396-G399 PolarHBondContact O-N 3.09Å; T396-F400 WeakPolarHBondContact CA-O 3.34Å; T396-F400 WeakPolarHBondContact CB-O 3.39Å; T396-R402 HydrophobicContact CG2-CG 4.42Å
397F98.4Very high98.2Very high90 Ų9054.6 Ų54.640%0.39529%0.293SS..G310 helixtrans-56142.5177.1-178.7-109.5000110.8Y323 T359 S395 G399Y323-F397 HydrophobicContact CD1-CB 3.79Å; Y323-F397 AromaticContact CD1-CD1 3.72Å; Y323-F397 HydrophobicContact CD1-CD1 3.72Å; Y323-F397 HydrophobicContact CD1-CE1 4.5Å; Y323-F397 AromaticContact CD1-CG 3.84Å; Y323-F397 HydrophobicContact CD1-CG 3.84Å; Y323-F397 AromaticContact CD2-CD1 3.88Å; Y323-F397 HydrophobicContact CD2-CD1 3.88Å; Y323-F397 HydrophobicContact CD2-CE1 4.41Å; Y323-F397 AromaticContact CE1-CD1 3.83Å; Y323-F397 HydrophobicContact CE1-CD1 3.83Å; Y323-F397 HydrophobicContact CE1-CE1 4.17Å; Y323-F397 HydrophobicContact CE1-CG 4.1Å; Y323-F397 AromaticContact CE2-CD1 3.98Å; Y323-F397 HydrophobicContact CE2-CD1 3.98Å; Y323-F397 HydrophobicContact CE2-CE1 4.08Å; Y323-F397 HydrophobicContact CG-CB 4.02Å; Y323-F397 AromaticContact CG-CD1 3.74Å; Y323-F397 HydrophobicContact CG-CD1 3.74Å; Y323-F397 HydrophobicContact CG-CG 4.18Å; Y323-F397 AromaticContact CZ-CD1 3.96Å; Y323-F397 AromaticContact CZ-CE1 3.95Å; T359-F397 HydrophobicContact CG2-CD1 4.1Å; S395-F397 PolarHBondContact OG-N 2.84Å; F397-G399 PolarHBondContact O-N 3.17Å
398N98.3Very high98.2Very high72 Ų7254.7 Ų54.739%0.38529%0.293SS..G310 helixtrans57.69.7-170.4-68.9175.6000115.7T359 C360 F400T359-N398 WeakPolarHBondContact CB-OD1 3.07Å; T359-N398 HydrophobicContact CG2-CB 4.49Å; C360-N398 PolarHBondContact N-OD1 2.81Å; N398-F400 HydrophobicContact CB-CD2 3.78Å; N398-F400 HydrophobicContact CB-CE2 3.62Å
399G98Very high98.1Very high48 Ų4854.4 Ų54.450%0.49529%0.291SS..G310 helixtrans86.31.9175.600000114.9T396 F397 Q401T396-G399 PolarHBondContact O-N 3.09Å; F397-G399 PolarHBondContact O-N 3.17Å; G399-Q401 PolarHBondContact O-N 3.44Å; G399-Q401 PolarHBondContact O-NE2 3.33Å
400F98.5Very high97.9Very high82 Ų8252.6 Ų52.636%0.3629%0.286SS..PPolyproline II helixtrans-67130.2173.8-62.4-72.3000110.4P358 T359 T396 N398P358-F400 HydrophobicContact CB-CD1 3.98Å; P358-F400 HydrophobicContact CB-CD2 4.31Å; P358-F400 HydrophobicContact CB-CE1 3.72Å; P358-F400 HydrophobicContact CB-CE2 4.07Å; P358-F400 HydrophobicContact CB-CG 4.28Å; P358-F400 HydrophobicContact CB-CZ 3.76Å; P358-F400 HydrophobicContact CG-CD1 4.06Å; P358-F400 HydrophobicContact CG-CD2 3.99Å; P358-F400 HydrophobicContact CG-CE1 4.28Å; P358-F400 HydrophobicContact CG-CE2 4.22Å; P358-F400 HydrophobicContact CG-CG 3.92Å; P358-F400 HydrophobicContact CG-CZ 4.35Å; P358-F400 VanDerWaalsContact O-CE2 3.31Å; P358-F400 WeakPolarHBondContact O-CE2 3.32Å; P358-F400 WeakPolarHBondContact O-CZ 3.47Å; T359-F400 HydrophobicContact CG2-CD2 4.05Å; T359-F400 HydrophobicContact CG2-CE2 4.21Å; T396-F400 WeakPolarHBondContact CA-O 3.34Å; T396-F400 WeakPolarHBondContact CB-O 3.39Å; N398-F400 HydrophobicContact CB-CD2 3.78Å; N398-F400 HydrophobicContact CB-CE2 3.62Å
401Q98.6Very high97.7Very high149 Ų14957.7 Ų57.770%0.69631%0.305SS*.PPolyproline II helixtrans-81.8156.3-177.2-60.4-54.2-59.900110.9G399G399-Q401 PolarHBondContact O-N 3.44Å; G399-Q401 PolarHBondContact O-NE2 3.33Å
402R98.6Very high97.4Very high144 Ų14459.7 Ų59.754%0.54332%0.318SS..PPolyproline II helixtrans-70.2141175.1-63.2-173.9-176.5112.8-4.1110A394 T396A394-R402 HydrophobicContact CB-CG 4.46Å; A394-R402 PolarHBondContact O-NE 2.91Å; A394-R402 PolarHBondContact O-NH2 2.73Å; T396-R402 HydrophobicContact CG2-CG 4.42Å
403P98.4Very high97.2Very high16 Ų1658 Ų5810%0.10430%0.304CS..PPolyproline II helixtrans-54.9139.8174.6-2734.8000112.5A39 Y41 L286 D320A39-P403 HydrophobicContact CB-CB 4.16Å; A39-P403 HydrophobicContact CB-CG 3.93Å; A39-P403 WeakPolarHBondContact O-CA 3.32Å; A39-P403 WeakPolarHBondContact O-CB 3.5Å; Y41-P403 HydrophobicContact CD2-CB 3.87Å; Y41-P403 HydrophobicContact CE2-CB 4.09Å; Y41-P403 HydrophobicContact CE2-CG 4.25Å; L286-P403 HydrophobicContact CD1-CB 4.21Å; L286-P403 HydrophobicContact CD1-CG 4.08Å; D320-P403 HydrophobicContact CB-CG 4.49Å; D320-P403 WeakPolarHBondContact OD2-CG 3.48Å
404T97.3Very high97Very high80 Ų8058 Ų5849%0.49129%0.293SS..EExtended strand (participates in β ladder)trans-69.2141.2174.1-640000110F40 Y41 Y406F40-T404 CarbonylContact C-O 3.58Å; F40-T404 WeakPolarHBondContact CA-O 3.4Å; F40-T404 WeakPolarHBondContact CB-O 3.39Å; Y41-T404 PolarHBondContact N-O 3.04Å; T404-Y406 HydrophobicContact CG2-CE1 4.1Å; T404-Y406 HydrophobicContact CG2-CE2 4.14Å
405I98.2Very high96.8Very high40 Ų4063.4 Ų63.421%0.20532%0.317CS..EExtended strand (participates in β ladder)trans-106.3119.3179.3-52.7168.9000109.6Y41 A43 F284 V391 Y407Y41-I405 HydrophobicContact CD2-CG1 4.19Å; Y41-I405 HydrophobicContact CG-CG1 4.46Å; A43-I405 HydrophobicContact CB-CG2 3.72Å; F284-I405 HydrophobicContact CD1-CG2 4.44Å; F284-I405 HydrophobicContact CE1-CD1 4.29Å; F284-I405 HydrophobicContact CE1-CG2 3.86Å; V391-I405 HydrophobicContact CG1-CD1 4.4Å; I405-Y407 HydrophobicContact CB-CE2 4.3Å; I405-Y407 HydrophobicContact CG2-CD1 4.09Å; I405-Y407 HydrophobicContact CG2-CD2 4.46Å; I405-Y407 HydrophobicContact CG2-CE1 3.56Å; I405-Y407 HydrophobicContact CG2-CE2 3.99Å; I405-Y407 HydrophobicContact CG2-CG 4.5Å; I405-Y407 VanDerWaalsContact CG2-CZ 3.5Å
406Y97.3Very high96.5Very high93 Ų9362.1 Ų62.137%0.36531%0.306SS..EExtended strand (participates in β ladder)trans-99.1107173.5-61.3-75.5000110.2K27 F40 Y41 V42 A43 T404K27-Y406 HydrophobicContact CD-CD1 4.44Å; K27-Y406 HydrophobicContact CD-CD2 3.59Å; K27-Y406 HydrophobicContact CD-CE2 3.92Å; K27-Y406 HydrophobicContact CD-CG 3.87Å; F40-Y406 HydrophobicContact CB-CD2 4.11Å; F40-Y406 HydrophobicContact CB-CE2 3.73Å; F40-Y406 AromaticContact CD2-CD2 3.74Å; F40-Y406 HydrophobicContact CD2-CD2 3.74Å; F40-Y406 AromaticContact CD2-CE2 3.92Å; F40-Y406 HydrophobicContact CD2-CE2 3.92Å; F40-Y406 HydrophobicContact CG-CD2 4.22Å; F40-Y406 AromaticContact CG-CE2 3.96Å; F40-Y406 HydrophobicContact CG-CE2 3.96Å; Y41-Y406 WeakPolarHBondContact O-CD2 3.49Å; Y41-Y406 PolarHBondContact O-N 2.87Å; V42-Y406 WeakPolarHBondContact CA-O 3.37Å; A43-Y406 PolarHBondContact N-O 2.79Å; T404-Y406 HydrophobicContact CG2-CE1 4.1Å; T404-Y406 HydrophobicContact CG2-CE2 4.14Å
407Y98Very high96.3Very high36 Ų3659 Ų5914%0.14129%0.287CS..EExtended strand (participates in β ladder)trans-79.4135.4176.7-59.7-73.5000111.2F11 T12 A43 L45 S73 A75 I76 F284 I405F11-Y407 CarbonylContact C-O 3.57Å; F11-Y407 WeakPolarHBondContact CA-O 3.24Å; F11-Y407 WeakPolarHBondContact CB-O 3.24Å; T12-Y407 PolarHBondContact N-O 2.59Å; A43-Y407 HydrophobicContact CB-CD1 3.55Å; A43-Y407 HydrophobicContact CB-CE1 3.79Å; A43-Y407 WeakPolarHBondContact O-CA 3.42Å; L45-Y407 HydrophobicContact CD2-CD1 3.91Å; L45-Y407 HydrophobicContact CG-CD1 4.34Å; S73-Y407 WeakPolarHBondContact CB-OH 3.45Å; S73-Y407 PolarHBondContact OG-OH 3.04Å; A75-Y407 HydrophobicContact CB-CD1 3.92Å; A75-Y407 HydrophobicContact CB-CD2 3.92Å; A75-Y407 HydrophobicContact CB-CE1 3.71Å; A75-Y407 HydrophobicContact CB-CE2 3.69Å; A75-Y407 HydrophobicContact CB-CG 4.03Å; I76-Y407 HydrophobicContact CD1-CE1 4.3Å; F284-Y407 HydrophobicContact CZ-CE1 4.32Å; I405-Y407 HydrophobicContact CB-CE2 4.3Å; I405-Y407 HydrophobicContact CG2-CD1 4.09Å; I405-Y407 HydrophobicContact CG2-CD2 4.46Å; I405-Y407 HydrophobicContact CG2-CE1 3.56Å; I405-Y407 HydrophobicContact CG2-CE2 3.99Å; I405-Y407 HydrophobicContact CG2-CG 4.5Å; I405-Y407 VanDerWaalsContact CG2-CZ 3.5Å
408V97.2Very high96Very high1 Ų156.8 Ų56.81%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-129.6152.5175.1-59.20000110.7T12 L14 A20 I23 V42 A43 D44 L45T12-V408 VanDerWaalsContact O-CA 3.28Å; T12-V408 WeakPolarHBondContact O-CA 3.19Å; L14-V408 HydrophobicContact CD1-CG2 4.43Å; L14-V408 HydrophobicContact CD2-CB 3.88Å; L14-V408 HydrophobicContact CD2-CG1 4.25Å; L14-V408 HydrophobicContact CD2-CG2 4.18Å; L14-V408 HydrophobicContact CG-CB 4.16Å; L14-V408 HydrophobicContact CG-CG2 4.47Å; A20-V408 HydrophobicContact CB-CG2 3.86Å; I23-V408 HydrophobicContact CB-CG1 4.39Å; I23-V408 HydrophobicContact CG1-CG1 4.2Å; I23-V408 HydrophobicContact CG2-CG1 4Å; V42-V408 HydrophobicContact CG1-CG1 4.21Å; V42-V408 HydrophobicContact CG1-CG2 3.95Å; A43-V408 PolarHBondContact O-N 2.91Å; D44-V408 HydrophobicContact CB-CG2 4.19Å; L45-V408 PolarHBondContact N-O 2.71Å
409M96.6Very high95.7Very high0 Ų057 Ų570%028%0.276CS..EExtended strand (participates in β ladder)trans-152.7139.6174.1-162.8178-164.700109.9F11 T12 F13 L14 L45 A413 W414 M417F11-M409 HydrophobicContact CD2-CB 3.77Å; F11-M409 HydrophobicContact CE2-CB 3.84Å; T12-M409 PolarHBondContact O-N 3.17Å; F13-M409 VanDerWaalsContact CA-O 3.3Å; F13-M409 WeakPolarHBondContact CA-O 3.38Å; L14-M409 PolarHBondContact N-O 3.25Å; L45-M409 HydrophobicContact CB-CB 4.29Å; L45-M409 HydrophobicContact CB-CG 4.23Å; L45-M409 HydrophobicContact CB-SD 4.33Å; M409-A413 HydrophobicContact CE-CB 3.9Å; M409-A413 WeakPolarHBondContact CE-O 3.29Å; M409-A413 HydrophobicContact CG-CB 4.06Å; M409-W414 HydrophobicContact SD-CB 3.95Å; M409-W414 HydrophobicContact SD-CE3 3.81Å; M409-M417 HydrophobicContact CE-CB 4.08Å; M409-M417 HydrophobicContact CE-CE 4.17Å; M409-M417 HydrophobicContact CE-SD 4.02Å; M409-M417 HydrophobicContact SD-CE 4.3Å
410S95Very high95.4Very high17 Ų1755 Ų5512%0.11925%0.254CS..EExtended strand (participates in β ladder)trans-74.5152173.274.60000111.4A413 W414S410-A413 PolarHBondContact O-N 2.83Å; S410-A413 VanDerWaalsContact OG-CB 3.27Å; S410-A413 WeakPolarHBondContact OG-CB 3.18Å; S410-A413 PolarHBondContact OG-N 3.31Å; S410-W414 PolarHBondContact O-N 3.07Å
411R93.2Very high95Very high108 Ų10856.4 Ų56.441%0.40826%0.26SS..Hα-helixtrans-57.9-43.1175.4-63.1-178.5-175.7-77-4.5112.8F13 A413 W414 Q415F13-R411 HydrophobicContact CB-CG 4.48Å; F13-R411 HydrophobicContact CD1-CG 3.88Å; F13-R411 HydrophobicContact CE1-CG 4.47Å; F13-R411 HydrophobicContact CG-CG 4.34Å; R411-A413 PolarHBondContact O-N 2.88Å; R411-W414 PolarHBondContact O-N 2.82Å; R411-Q415 WeakPolarHBondContact O-CG 3.33Å; R411-Q415 PolarHBondContact O-N 3.07Å
412P93.4Very high94.5Very high64 Ų6456.5 Ų56.542%0.41626%0.261SS..Hα-helixtrans-60.9-43175.5-25.436.1000112.8W414 Q415 L416 L437P412-W414 VanDerWaalsContact C-N 3.33Å; P412-W414 PolarHBondContact O-N 3.35Å; P412-Q415 PolarHBondContact O-N 3.13Å; P412-L416 WeakPolarHBondContact O-CB 3.39Å; P412-L416 PolarHBondContact O-N 2.8Å; P412-L437 HydrophobicContact CB-CD2 3.94Å
413A93.8Very high94Very high2 Ų255.2 Ų55.22%0.01726%0.261CS..Hα-helixtrans-62.6-41.9177.800000111.5L49 M409 S410 R411 L416 M417L49-A413 HydrophobicContact CD2-CB 3.72Å; L49-A413 VanDerWaalsContact CD2-O 3.25Å; L49-A413 WeakPolarHBondContact CD2-O 3.29Å; M409-A413 HydrophobicContact CE-CB 3.9Å; M409-A413 WeakPolarHBondContact CE-O 3.29Å; M409-A413 HydrophobicContact CG-CB 4.06Å; S410-A413 PolarHBondContact O-N 2.83Å; S410-A413 VanDerWaalsContact OG-CB 3.27Å; S410-A413 WeakPolarHBondContact OG-CB 3.18Å; S410-A413 PolarHBondContact OG-N 3.31Å; R411-A413 PolarHBondContact O-N 2.88Å; A413-L416 PolarHBondContact O-N 2.86Å; A413-M417 WeakPolarHBondContact O-CB 3.3Å; A413-M417 PolarHBondContact O-N 2.84Å
414W93.9Very high93.1Very high55 Ų5556.2 Ų56.221%0.20827%0.274CS..Hα-helixtrans-62.3-45.8176.1173.1-98.5000112.4F9 F11 F13 M409 S410 R411 P412 L416 M417 Q418F9-W414 HydrophobicContact CD2-CH2 4.42Å; F11-W414 AromaticContact CE1-CE3 3.8Å; F11-W414 HydrophobicContact CE1-CE3 3.8Å; F11-W414 HydrophobicContact CE1-CH2 4.2Å; F11-W414 AromaticContact CE1-CZ3 3.45Å; F11-W414 HydrophobicContact CE1-CZ3 3.45Å; F11-W414 VanDerWaalsContact CE1-CZ3 3.45Å; F11-W414 HydrophobicContact CE2-CE3 4.33Å; F11-W414 AromaticContact CZ-CD2 3.98Å; F11-W414 HydrophobicContact CZ-CD2 3.98Å; F11-W414 AromaticContact CZ-CE3 3.32Å; F11-W414 HydrophobicContact CZ-CE3 3.32Å; F11-W414 HydrophobicContact CZ-CH2 4.2Å; F11-W414 AromaticContact CZ-CZ3 3.46Å; F11-W414 HydrophobicContact CZ-CZ3 3.46Å; F11-W414 VanDerWaalsContact CZ-CZ3 3.46Å; F13-W414 HydrophobicContact CE1-CB 3.65Å; F13-W414 HydrophobicContact CE1-CD2 4.25Å; F13-W414 AromaticContact CE1-CG 3.68Å; F13-W414 HydrophobicContact CE1-CG 3.68Å; F13-W414 HydrophobicContact CZ-CB 4.37Å; F13-W414 AromaticContact CZ-CD1 3.97Å; F13-W414 HydrophobicContact CZ-CD2 4.13Å; F13-W414 AromaticContact CZ-CG 3.89Å; F13-W414 HydrophobicContact CZ-CG 3.89Å; M409-W414 HydrophobicContact SD-CB 3.95Å; M409-W414 HydrophobicContact SD-CE3 3.81Å; S410-W414 PolarHBondContact O-N 3.07Å; R411-W414 PolarHBondContact O-N 2.82Å; P412-W414 VanDerWaalsContact C-N 3.33Å; P412-W414 PolarHBondContact O-N 3.35Å; W414-L416 VanDerWaalsContact C-N 3.35Å; W414-L416 PolarHBondContact O-N 2.87Å; W414-M417 HydrophobicContact CD2-CE 4.2Å; W414-M417 HydrophobicContact CE3-CE 3.23Å; W414-M417 HydrophobicContact CH2-CE 4.13Å; W414-M417 HydrophobicContact CZ3-CE 3.19Å; W414-M417 PolarHBondContact O-N 2.85Å; W414-Q418 HydrophobicContact CD2-CG 4.45Å; W414-Q418 HydrophobicContact CZ2-CG 4.23Å; W414-Q418 WeakPolarHBondContact O-CG 3.46Å; W414-Q418 PolarHBondContact O-N 2.9Å
415Q93Very high92Very high119 Ų11955.3 Ų55.356%0.55626%0.263SS*.Hα-helixtrans-59.7-46177.8-73.6170.4-20.100111.5R411 P412 M417 Q418 Q419R411-Q415 WeakPolarHBondContact O-CG 3.33Å; R411-Q415 PolarHBondContact O-N 3.07Å; P412-Q415 PolarHBondContact O-N 3.13Å; Q415-M417 VanDerWaalsContact C-N 3.34Å; Q415-M417 PolarHBondContact O-N 2.95Å; Q415-Q418 PolarHBondContact O-N 2.86Å; Q415-Q419 WeakPolarHBondContact O-CG 3.12Å; Q415-Q419 PolarHBondContact O-N 2.91Å
416L93.4Very high90.1Very high22 Ų2256.7 Ų56.712%0.11527%0.271CS..Hα-helixtrans-62.5-41.2176.9178.656.6000111.7L49 P412 A413 W414 Q418 Q419 I420 V429 L437L49-L416 HydrophobicContact CD1-CD2 4.24Å; L49-L416 HydrophobicContact CD1-CG 4.26Å; L49-L416 HydrophobicContact CD2-CB 4.11Å; L49-L416 HydrophobicContact CD2-CD2 3.94Å; L49-L416 HydrophobicContact CD2-CG 4.13Å; L49-L416 HydrophobicContact CG-CD2 4.34Å; P412-L416 WeakPolarHBondContact O-CB 3.39Å; P412-L416 PolarHBondContact O-N 2.8Å; A413-L416 PolarHBondContact O-N 2.86Å; W414-L416 VanDerWaalsContact C-N 3.35Å; W414-L416 PolarHBondContact O-N 2.87Å; L416-Q418 VanDerWaalsContact C-N 3.34Å; L416-Q418 PolarHBondContact O-N 2.91Å; L416-Q419 WeakPolarHBondContact O-CB 3Å; L416-Q419 PolarHBondContact O-N 2.88Å; L416-I420 HydrophobicContact CD1-CD1 4.21Å; L416-I420 HydrophobicContact CD1-CG1 4.34Å; L416-I420 HydrophobicContact CG-CD1 4.12Å; L416-I420 WeakPolarHBondContact O-CG1 3.47Å; L416-I420 PolarHBondContact O-N 2.8Å; L416-V429 HydrophobicContact CD1-CG1 3.68Å; L416-L437 HydrophobicContact CD2-CD1 4.37Å
417M94.1Very high88Confident1 Ų156 Ų561%0.00528%0.284CS..Hα-helixtrans-61.9-40.4174.4-177.9-179.971.600112.2T79 A82 L83 M409 A413 W414 Q415 I420 K421T79-M417 HydrophobicContact CG2-SD 3.95Å; A82-M417 HydrophobicContact CB-CG 4.03Å; A82-M417 HydrophobicContact CB-SD 3.98Å; L83-M417 HydrophobicContact CD2-CB 4.16Å; L83-M417 HydrophobicContact CD2-CG 3.8Å; L83-M417 HydrophobicContact CG-CG 4.32Å; M409-M417 HydrophobicContact CE-CB 4.08Å; M409-M417 HydrophobicContact CE-CE 4.17Å; M409-M417 HydrophobicContact CE-SD 4.02Å; M409-M417 HydrophobicContact SD-CE 4.3Å; A413-M417 WeakPolarHBondContact O-CB 3.3Å; A413-M417 PolarHBondContact O-N 2.84Å; W414-M417 HydrophobicContact CD2-CE 4.2Å; W414-M417 HydrophobicContact CE3-CE 3.23Å; W414-M417 HydrophobicContact CH2-CE 4.13Å; W414-M417 HydrophobicContact CZ3-CE 3.19Å; W414-M417 PolarHBondContact O-N 2.85Å; Q415-M417 VanDerWaalsContact C-N 3.34Å; Q415-M417 PolarHBondContact O-N 2.95Å; M417-I420 PolarHBondContact O-N 3.19Å; M417-K421 WeakPolarHBondContact O-CB 3.42Å; M417-K421 PolarHBondContact O-N 2.9Å
418Q92.1Very high85.4Confident44 Ų4461.6 Ų61.621%0.20631%0.312CS..Hα-helixtrans-65.5-40.2175.7-64.4-49.1-52.900111.8W414 Q415 L416 K421 E422W414-Q418 HydrophobicContact CD2-CG 4.45Å; W414-Q418 HydrophobicContact CZ2-CG 4.23Å; W414-Q418 WeakPolarHBondContact O-CG 3.46Å; W414-Q418 PolarHBondContact O-N 2.9Å; Q415-Q418 PolarHBondContact O-N 2.86Å; L416-Q418 VanDerWaalsContact C-N 3.34Å; L416-Q418 PolarHBondContact O-N 2.91Å; Q418-K421 PolarHBondContact O-N 2.84Å; Q418-E422 WeakPolarHBondContact O-CG 3.44Å; Q418-E422 PolarHBondContact O-N 3.39Å
419Q91.9Very high83.1Confident75 Ų7562.2 Ų62.235%0.3532%0.315SS..Hα-helixtrans-59.7-48.5175.1-70.8169.2-5.500111.5Q415 L416 K421 E422 Q423Q415-Q419 WeakPolarHBondContact O-CG 3.12Å; Q415-Q419 PolarHBondContact O-N 2.91Å; L416-Q419 WeakPolarHBondContact O-CB 3Å; L416-Q419 PolarHBondContact O-N 2.88Å; Q419-K421 VanDerWaalsContact C-N 3.29Å; Q419-K421 PolarHBondContact O-N 2.91Å; Q419-E422 PolarHBondContact O-N 2.92Å; Q419-Q423 WeakPolarHBondContact O-CB 3.22Å; Q419-Q423 PolarHBondContact O-N 2.02Å
420I91.6Very high80.8Confident6 Ų667.7 Ų67.73%0.03134%0.341CS..Hα-helixtrans-60.3-40.8176.5-67167.2000110.9L49 M53 L83 L416 M417 E422 G424 F425L49-I420 HydrophobicContact CD1-CD1 3.82Å; M53-I420 HydrophobicContact SD-CD1 4.07Å; L83-I420 HydrophobicContact CD2-CD1 3.89Å; L83-I420 HydrophobicContact CD2-CG2 4.39Å; L416-I420 HydrophobicContact CD1-CD1 4.21Å; L416-I420 HydrophobicContact CD1-CG1 4.34Å; L416-I420 HydrophobicContact CG-CD1 4.12Å; L416-I420 WeakPolarHBondContact O-CG1 3.47Å; L416-I420 PolarHBondContact O-N 2.8Å; M417-I420 PolarHBondContact O-N 3.19Å; I420-E422 PolarHBondContact O-N 3.29Å; I420-G424 CarbonylContact O-C 3.24Å; I420-G424 WeakPolarHBondContact O-CA 3.47Å; I420-G424 PolarHBondContact O-N 3.22Å; I420-F425 HydrophobicContact CD1-CD2 4.31Å; I420-F425 HydrophobicContact CD1-CE2 4.28Å; I420-F425 HydrophobicContact CG1-CD2 4.47Å; I420-F425 HydrophobicContact CG2-CD2 4.24Å
421K89.3Confident78.2Confident112 Ų11275 Ų7549%0.48737%0.373SS..Hα-helixtrans-63.8-40.8179-176.5-176.9174.9-173.70112.4A82 M417 Q418 Q419A82-K421 HydrophobicContact CB-CD 4.29Å; A82-K421 WeakPolarHBondContact O-CA 3.37Å; M417-K421 WeakPolarHBondContact O-CB 3.42Å; M417-K421 PolarHBondContact O-N 2.9Å; Q418-K421 PolarHBondContact O-N 2.84Å; Q419-K421 VanDerWaalsContact C-N 3.29Å; Q419-K421 PolarHBondContact O-N 2.91Å
422E88.6Confident75.8Confident152 Ų15276 Ų7671%0.7138%0.383SS*.Hα-helixtrans-80.8-39.2-176.7-72.2176.9179.800112.9Q418 Q419 I420Q418-E422 WeakPolarHBondContact O-CG 3.44Å; Q418-E422 PolarHBondContact O-N 3.39Å; Q419-E422 PolarHBondContact O-N 2.92Å; I420-E422 PolarHBondContact O-N 3.29Å
423Q87Confident73.3Confident117 Ų11777.6 Ų77.655%0.54739%0.387SS..Hα-helixtrans-106.6-9.8-169.1-57.1178.87.200113.1Q419 L426Q419-Q423 WeakPolarHBondContact O-CB 3.22Å; Q419-Q423 PolarHBondContact O-N 2.02Å; Q423-L426 HydrophobicContact CB-CD1 3.98Å; Q423-L426 HydrophobicContact CB-CG 4.43Å
424G80.6Confident70.9Confident36 Ų3681.2 Ų81.237%0.37141%0.409SS..  trans75.6178.9-165.400000111.8I420 L426I420-G424 CarbonylContact O-C 3.24Å; I420-G424 WeakPolarHBondContact O-CA 3.47Å; I420-G424 PolarHBondContact O-N 3.22Å; G424-L426 PolarHBondContact O-N 3.37Å
425F74.1Confident68.4Low61 Ų6183.6 Ų83.627%0.26843%0.43SS..SBendtrans-78.2102.8176.3-153.5-89.3000109H52 M53 H56 I420H52-F425 AromaticContact CD2-CE2 3.75Å; M53-F425 HydrophobicContact CE-CE1 4.4Å; M53-F425 HydrophobicContact CE-CE2 4.01Å; M53-F425 HydrophobicContact CE-CZ 3.53Å; M53-F425 HydrophobicContact SD-CE2 3.38Å; M53-F425 WeakPolarHBondContact SD-CE2 3.42Å; M53-F425 HydrophobicContact SD-CZ 3.5Å; M53-F425 VanDerWaalsContact SD-CZ 3.5Å; H56-F425 HydrophobicContact CB-CD1 4.31Å; H56-F425 HydrophobicContact CB-CE1 3.44Å; H56-F425 VanDerWaalsContact CB-CE1 3.44Å; H56-F425 HydrophobicContact CB-CZ 3.58Å; H56-F425 AromaticContact CD2-CD2 3.79Å; H56-F425 AromaticContact CD2-CE1 3.61Å; H56-F425 AromaticContact CD2-CE2 3.36Å; H56-F425 WeakPolarHBondContact CD2-CE2 3.46Å; H56-F425 AromaticContact CD2-CZ 3.26Å; H56-F425 WeakPolarHBondContact CD2-CZ 3.49Å; H56-F425 AromaticContact CG-CD1 3.94Å; H56-F425 AromaticContact CG-CE1 3.46Å; H56-F425 VanDerWaalsContact CG-CE1 3.46Å; H56-F425 AromaticContact CG-CZ 3.56Å; H56-F425 AromaticContact NE2-CD2 3.81Å; H56-F425 AromaticContact NE2-CE2 3.87Å; H56-F425 AromaticContact NE2-CG 3.99Å; I420-F425 HydrophobicContact CD1-CD2 4.31Å; I420-F425 HydrophobicContact CD1-CE2 4.28Å; I420-F425 HydrophobicContact CG1-CD2 4.47Å; I420-F425 HydrophobicContact CG2-CD2 4.24Å
426L57.5Low65.7Low70 Ų7083.4 Ų83.437%0.36644%0.437SS..  trans-92.2145.2-179.5-65.3172.1000111.3Q423 G424 E428 V429Q423-L426 HydrophobicContact CB-CD1 3.98Å; Q423-L426 HydrophobicContact CB-CG 4.43Å; G424-L426 PolarHBondContact O-N 3.37Å; L426-E428 PolarHBondContact O-N 2.65Å; L426-V429 HydrophobicContact CB-CG2 4.08Å; L426-V429 WeakPolarHBondContact O-CB 3.32Å; L426-V429 PolarHBondContact O-N 2.83Å
427A53.3Low63.4Low77 Ų7783.4 Ų83.464%0.63644%0.437SS*.G310 helixtrans-60.1-29.1175.600000113.3V429 E430A427-V429 PolarHBondContact O-N 3.11Å; A427-E430 VanDerWaalsContact O-CB 3.26Å; A427-E430 WeakPolarHBondContact O-CB 3.48Å; A427-E430 PolarHBondContact O-N 3.22Å; A427-E430 VanDerWaalsContact O-N 3.1Å
428E43.9Very low60.8Low155 Ų15586.7 Ų86.772%0.72446%0.459SS*.G310 helixtrans-68.7-19.3176-67.2-179.9178.400113.3L426 E430 E431 Q432L426-E428 PolarHBondContact O-N 2.65Å; E428-E430 PolarHBondContact O-N 2.69Å; E428-E431 PolarHBondContact O-N 3.11Å; E428-Q432 PolarHBondContact O-N 3.2Å
429V49.6Very low58.2Low14 Ų1492.5 Ų92.59%0.08549%0.49CS..G310 helixtrans-72.8-17.8173.7-171.70000110.7M53 L416 L426 A427 E431M53-V429 HydrophobicContact CE-CB 4.39Å; M53-V429 HydrophobicContact CE-CG1 3.59Å; M53-V429 HydrophobicContact SD-CG1 4.35Å; L416-V429 HydrophobicContact CD1-CG1 3.68Å; L426-V429 HydrophobicContact CB-CG2 4.08Å; L426-V429 WeakPolarHBondContact O-CB 3.32Å; L426-V429 PolarHBondContact O-N 2.83Å; A427-V429 PolarHBondContact O-N 3.11Å; V429-E431 VanDerWaalsContact C-N 3.26Å; V429-E431 PolarHBondContact O-N 2.85Å
430E48.4Very low55.8Low114 Ų11491 Ų9153%0.53349%0.488SS..G310 helixtrans-66.8-27.2170.6-62.4-172.9155.800112.6A427 E428A427-E430 VanDerWaalsContact O-CB 3.26Å; A427-E430 WeakPolarHBondContact O-CB 3.48Å; A427-E430 PolarHBondContact O-N 3.22Å; A427-E430 VanDerWaalsContact O-N 3.1Å; E428-E430 PolarHBondContact O-N 2.69Å
431E40.6Very low53.3Low172 Ų17293.4 Ų93.480%0.80451%0.505SS*.THydrogen-bonded Turntrans-91.8-18.6-179.6-72.2-170.716800113.7E428 V429 D433E428-E431 PolarHBondContact O-N 3.11Å; V429-E431 VanDerWaalsContact C-N 3.26Å; V429-E431 PolarHBondContact O-N 2.85Å; E431-D433 PolarHBondContact O-N 3.08Å
432Q42.7Very low50.8Low129 Ų12990.3 Ų90.360%0.60350%0.5SS*.SBendtrans-73.497.5170.4-77.6-170.63.700109.8E428 V434E428-Q432 PolarHBondContact O-N 3.2Å; Q432-V434 PolarHBondContact O-N 2.88Å
433D41.1Very low48.4Very low96 Ų9687 Ų8751%0.51348%0.481SS..  trans-49.1112.3-165.1-138.1-3.8000114E431 T435 T436E431-D433 PolarHBondContact O-N 3.08Å; D433-T435 VanDerWaalsContact CB-OG1 3.28Å; D433-T435 WeakPolarHBondContact CB-OG1 3.3Å; D433-T435 PolarHBondContact O-N 2.85Å; D433-T435 WeakPolarHBondContact OD1-CG2 3.13Å; D433-T435 PolarHBondContact OD1-OG1 3.42Å; D433-T435 PolarHBondContact OD2-OG1 3.4Å; D433-T436 PolarHBondContact O-N 3.07Å; D433-T436 PolarHBondContact O-OG1 2.78Å
434V43.3Very low45.8Very low78 Ų7890.2 Ų90.247%0.47350%0.496SS..G310 helixtrans-54.4-18.7168.7177.80000111.3Q432 T436 L437Q432-V434 PolarHBondContact O-N 2.88Å; V434-T436 PolarHBondContact O-N 3.09Å; V434-L437 PolarHBondContact O-N 2.82Å
435T39.7Very low43.5Very low105 Ų10592.7 Ų92.764%0.64451%0.508SS*.G310 helixtrans-63.7-19.2174.364.10000113.9D433D433-T435 VanDerWaalsContact CB-OG1 3.28Å; D433-T435 WeakPolarHBondContact CB-OG1 3.3Å; D433-T435 PolarHBondContact O-N 2.85Å; D433-T435 WeakPolarHBondContact OD1-CG2 3.13Å; D433-T435 PolarHBondContact OD1-OG1 3.42Å; D433-T435 PolarHBondContact OD2-OG1 3.4Å
436T37.4Very low41.4Very low115 Ų11592.8 Ų92.871%0.70653%0.526SS*.G310 helixtrans-90.4-13.3177.861.20000113.6D433 V434D433-T436 PolarHBondContact O-N 3.07Å; D433-T436 PolarHBondContact O-OG1 2.78Å; V434-T436 PolarHBondContact O-N 3.09Å
437L44.8Very low40.5Very low23 Ų2393.3 Ų93.312%0.1253%0.528CS..SBendtrans-79130.3168.6-69.7168.5000107.8P412 L416 V434 L439P412-L437 HydrophobicContact CB-CD2 3.94Å; L416-L437 HydrophobicContact CD2-CD1 4.37Å; V434-L437 PolarHBondContact O-N 2.82Å; L437-L439 PolarHBondContact O-N 3.43Å
438P39.4Very low39.7Very low70 Ų7098.5 Ų98.546%0.45554%0.539SS..  trans-52.4135.1179.119.1-30.1000109.2K50K50-P438 WeakPolarHBondContact CE-O 3.47Å; K50-P438 PolarHBondContact NZ-O 2.94Å
439L37Very low39.7Very low165 Ų16594 Ų9486%0.86452%0.516SS*.  trans-45144.8-177.6-79153000111.3L437L437-L439 PolarHBondContact O-N 3.43Å
440S41.7Very low39.3Very low44 Ų4494.7 Ų94.731%0.30852%0.521SS..  trans-54.9144.9171.9123.20000109.3A442S440-A442 PolarHBondContact O-N 3.15Å; S440-A442 PolarHBondContact OG-N 2.75Å
441C40.6Very low39.2Very low56 Ų5694.1 Ų94.138%0.37854%0.536SS..SBendtrans-68.420.1-178.4-64.80000113.2W443C441-W443 PolarHBondContact O-N 2.85Å
442A35.5Very low39.4Very low47 Ų4790.8 Ų90.839%0.38853%0.527SS..  trans-59.2112.7165.800000107.3S440 E444S440-A442 PolarHBondContact O-N 3.15Å; S440-A442 PolarHBondContact OG-N 2.75Å; A442-E444 PolarHBondContact O-N 3.1Å
443W39.2Very low39.5Very low83 Ų8385 Ų8531%0.31450%0.501SS..  trans-39.5126.8162.269.8-48000109.1C441 S445C441-W443 PolarHBondContact O-N 2.85Å; W443-S445 VanDerWaalsContact CE2-CB 3.42Å; W443-S445 PolarHBondContact O-N 3.33Å
444E30.9Very low39.3Very low184 Ų18484 Ų8486%0.8651%0.506SS*.  trans-56.1118.1150.4-82.7-176163.800104.3A442 G446A442-E444 PolarHBondContact O-N 3.1Å; E444-G446 PolarHBondContact O-N 3.03Å
445S33.3Very low39.2Very low89 Ų8984.2 Ų84.262%0.62251%0.511SS*.SBendtrans-69.927.1-171.838.30000114.6W443W443-S445 VanDerWaalsContact CE2-CB 3.42Å; W443-S445 PolarHBondContact O-N 3.33Å
446G30.4Very low39.1Very low63 Ų6383 Ų8365%0.64951%0.512SS*.  trans-104.744.117700000112.7E444 E448E444-G446 PolarHBondContact O-N 3.03Å; G446-E448 PolarHBondContact O-N 2.92Å; G446-E448 VanDerWaalsContact O-N 3.13Å
447I38.4Very low38.8Very low81 Ų8181.6 Ų81.642%0.41551%0.507SS..  trans-77.488.2150.9-58.6180000105.4Y449I447-Y449 VanDerWaalsContact C-N 3.29Å; I447-Y449 PolarHBondContact O-N 2.79Å
448E36Very low38.1Very low185 Ų18586.2 Ų86.286%0.86453%0.53SS*.  trans-62.1100.4160.6-76.3-176168.500106.6G446G446-E448 PolarHBondContact O-N 2.92Å; G446-E448 VanDerWaalsContact O-N 3.13Å
449Y43.1Very low37.6Very low60 Ų6089.7 Ų89.724%0.23555%0.545CS..  trans-53.6145158.6-71.3-83.3000107.6F370 I447 A451 C453F370-Y449 HydrophobicContact CE1-CE1 4.47Å; F370-Y449 HydrophobicContact CZ-CE2 4.5Å; F370-Y449 AromaticContact CZ-CZ 3.98Å; I447-Y449 VanDerWaalsContact C-N 3.29Å; I447-Y449 PolarHBondContact O-N 2.79Å; Y449-A451 PolarHBondContact O-N 2.63Å; Y449-C453 HydrophobicContact CD1-CB 4.19Å; Y449-C453 HydrophobicContact CG-CB 4.23Å
450P41Very low37.4Very low29 Ų2991.8 Ų91.819%0.18856%0.564CS.*  trans-46.2142.8169.6-2431.9000109.4T452 C453P450-T452 PolarHBondContact O-N 3.44Å; P450-C453 WeakPolarHBondContact O-CB 3.48Å; P450-C453 PolarHBondContact O-N 2.82Å
451A47.4Very low37.2Very low102 Ų10294.2 Ų94.284%0.84358%0.577SS**G310 helixtrans-51.6-23-174.600000113.6Y449Y449-A451 PolarHBondContact O-N 2.63Å
452T44.8Very low37Very low102 Ų10296.2 Ų96.263%0.62659%0.587SS**G310 helixtrans-72-15.617551.90000115.4P450P450-T452 PolarHBondContact O-N 3.44Å
453C45.3Very low37.1Very low9 Ų998.9 Ų98.96%0.06160%0.598CS.*G310 helixtrans-102.7-7.5-178.7-1010000113.4C350 Y449 P450 S455C350-C453 HydrophobicContact CB-CB 4.1Å; C350-C453 WeakPolarHBondContact CB-SG 3.42Å; C350-C453 WeakPolarHBondContact SG-CB 3.46Å; C350-C453 CovalentContact SG-SG 2.02Å; C350-C453 PolarHBondContact SG-SG 3.22Å; Y449-C453 HydrophobicContact CD1-CB 4.19Å; Y449-C453 HydrophobicContact CG-CB 4.23Å; P450-C453 WeakPolarHBondContact O-CB 3.48Å; P450-C453 PolarHBondContact O-N 2.82Å; C453-S455 VanDerWaalsContact C-N 3.35Å; C453-S455 PolarHBondContact O-N 2.95Å
454A37.3Very low36.9Very low73 Ų7399.8 Ų99.860%0.60362%0.615SS**  trans-80.65.2-163.200000116.9A456A454-A456 PolarHBondContact O-N 2.72Å
455S39.8Very low37.3Very low83 Ų8394.6 Ų94.658%0.5860%0.6SS**  trans-91.794.3-179.9550000112.2N371 C453N371-S455 PolarHBondContact ND2-O 3.4Å; N371-S455 PolarHBondContact ND2-OG 2.83Å; N371-S455 VanDerWaalsContact ND2-OG 3.1Å; C453-S455 VanDerWaalsContact C-N 3.35Å; C453-S455 PolarHBondContact O-N 2.95Å
456A38.2Very low37.6Very low80 Ų8094.9 Ų94.966%0.66160%0.598SS**  trans-90.7112.2166.100000109.8A454A454-A456 PolarHBondContact O-N 2.72Å
457S30.9Very low38.1Very low86 Ų8697.2 Ų97.260%0.60159%0.594SS**  trans-108.396.1157.30.80000107.3
458I30.7Very low38.1Very low120 Ų12098.5 Ų98.562%0.61561%0.608SS**  trans-102.5101.3170.6-55.6171.7000104.7
459N29.3Very low38.3Very low142 Ų14291.3 Ų91.376%0.75959%0.587SS**  trans-102120.8175.8-94.7-14.2000110.3
460V31.5Very low37.8Very low209 Ų20994.1 Ų94.1100%1.26762%0.619SS**  trans31.10149-166.10000118.6

Retrieved 460 of 460 residues in 160.1 ms (Link to these results)

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