A0A077Z9J9_TRITR Loading...

Receptor type tyrosine protein phosphatase

AlphaFold DB , UniProt , Accession A0A077Z9J9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 751 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
1M41.4Very low70.8Confident248 Ų24892.3 Ų92.3100%1.22252%0.524SS*.  0129.10-73.4162142.700107.5
2S58.7Low71.7Confident75 Ų7586 Ų8652%0.52449%0.486SS..  trans-68.4143.1172.632.10000110.4Q7S2-Q7 PolarHBondContact OG-NE2 3.34Å
3N77.5Confident72.1Confident93 Ų9384.3 Ų84.350%0.49747%0.47SS..  trans-66.2128175.5-179.8-14.6000109.4L5 A6 Q7N3-L5 PolarHBondContact O-N 3.29Å; N3-L5 WeakPolarHBondContact OD1-CB 3.48Å; N3-L5 PolarHBondContact OD1-N 3.31Å; N3-A6 HydrophobicContact CB-CB 4.13Å; N3-A6 WeakPolarHBondContact O-CB 3.3Å; N3-A6 PolarHBondContact O-N 3.43Å; N3-Q7 PolarHBondContact O-N 3.31Å
4P73.7Confident72.6Confident95 Ų9582.3 Ų82.362%0.61747%0.47SS*.Hα-helixtrans-60.4-29.9179.224.2-34.9000113.2Q7 C8P4-Q7 PolarHBondContact O-N 3.49Å; P4-C8 WeakPolarHBondContact O-CB 3.33Å; P4-C8 PolarHBondContact O-N 3.24Å
5L73.4Confident73Confident61 Ų6180.8 Ų80.832%0.31946%0.459SS..Hα-helixtrans-63.4-42.2172.4-179.267.1000111.4N3 C8 I9 C28 F29N3-L5 PolarHBondContact O-N 3.29Å; N3-L5 WeakPolarHBondContact OD1-CB 3.48Å; N3-L5 PolarHBondContact OD1-N 3.31Å; L5-C8 WeakPolarHBondContact O-CB 3.45Å; L5-C8 PolarHBondContact O-N 3.26Å; L5-I9 HydrophobicContact CD1-CD1 4.35Å; L5-I9 HydrophobicContact CG-CD1 4.01Å; L5-I9 WeakPolarHBondContact O-CG1 3.35Å; L5-I9 PolarHBondContact O-N 3.43Å; L5-C28 HydrophobicContact CD1-CB 4.1Å; L5-C28 WeakPolarHBondContact CD1-O 3.47Å; L5-F29 HydrophobicContact CD1-CD1 4.44Å; L5-F29 HydrophobicContact CD1-CE1 4.22Å; L5-F29 HydrophobicContact CD1-CZ 4.46Å; L5-F29 HydrophobicContact CD2-CE1 3.76Å; L5-F29 HydrophobicContact CD2-CZ 4.16Å
6A69.7Low73.3Confident41 Ų4176.1 Ų76.134%0.33943%0.433SS..Hα-helixtrans-67.6-36.6177.500000111.8N3 I10N3-A6 HydrophobicContact CB-CB 4.13Å; N3-A6 WeakPolarHBondContact O-CB 3.3Å; N3-A6 PolarHBondContact O-N 3.43Å; A6-I10 WeakPolarHBondContact O-CB 3.24Å; A6-I10 WeakPolarHBondContact O-CD1 3.28Å; A6-I10 WeakPolarHBondContact O-CG1 3.43Å; A6-I10 PolarHBondContact O-N 2.95Å
7Q74.8Confident73.4Confident102 Ų10275.9 Ų75.948%0.47743%0.427SS..Hα-helixtrans-63.2-43.6171-71.2-177.3-40.100111.4S2 N3 P4 I9 I10 S11S2-Q7 PolarHBondContact OG-NE2 3.34Å; N3-Q7 PolarHBondContact O-N 3.31Å; P4-Q7 PolarHBondContact O-N 3.49Å; Q7-I9 PolarHBondContact O-N 2.98Å; Q7-I10 PolarHBondContact O-N 3.31Å; Q7-S11 WeakPolarHBondContact O-CB 3.14Å; Q7-S11 PolarHBondContact O-N 2.57Å; Q7-S11 PolarHBondContact O-OG 3.4Å
8C76.5Confident73.6Confident53 Ų5379.4 Ų79.436%0.35844%0.439SS..Hα-helixtrans-57.8-49.3175.7-167.30000111.9P4 L5 S11 Y12 C28P4-C8 WeakPolarHBondContact O-CB 3.33Å; P4-C8 PolarHBondContact O-N 3.24Å; L5-C8 WeakPolarHBondContact O-CB 3.45Å; L5-C8 PolarHBondContact O-N 3.26Å; C8-S11 PolarHBondContact O-N 3.17Å; C8-Y12 WeakPolarHBondContact O-CB 3.43Å; C8-Y12 PolarHBondContact O-N 2.85Å; C8-C28 VanDerWaalsContact SG-SG 3.62Å
9I78.3Confident73.5Confident51 Ų5178.5 Ų78.526%0.26243%0.429SS..Hα-helixtrans-61.3-47178.6-66.8164.6000111.3L5 Q7 S11 Y12 F13 C28 F29L5-I9 HydrophobicContact CD1-CD1 4.35Å; L5-I9 HydrophobicContact CG-CD1 4.01Å; L5-I9 WeakPolarHBondContact O-CG1 3.35Å; L5-I9 PolarHBondContact O-N 3.43Å; Q7-I9 PolarHBondContact O-N 2.98Å; I9-S11 PolarHBondContact O-N 3.37Å; I9-Y12 PolarHBondContact O-N 2.61Å; I9-F13 VanDerWaalsContact O-CB 3.27Å; I9-F13 WeakPolarHBondContact O-CB 3.27Å; I9-F13 PolarHBondContact O-N 3.22Å; I9-C28 VanDerWaalsContact CA-SG 3.54Å; I9-C28 HydrophobicContact CD1-CB 4.46Å; I9-C28 HydrophobicContact CG1-CB 3.59Å; I9-C28 VanDerWaalsContact CG1-SG 3.57Å; I9-F29 HydrophobicContact CD1-CE2 4.35Å; I9-F29 HydrophobicContact CD1-CZ 4.26Å
10I77.3Confident73.5Confident117 Ų11783.1 Ų83.160%0.645%0.448SS*.Hα-helixtrans-63.3-43.4179.2-69.3165.2000111.1A6 Q7 A14A6-I10 WeakPolarHBondContact O-CB 3.24Å; A6-I10 WeakPolarHBondContact O-CD1 3.28Å; A6-I10 WeakPolarHBondContact O-CG1 3.43Å; A6-I10 PolarHBondContact O-N 2.95Å; Q7-I10 PolarHBondContact O-N 3.31Å; I10-A14 WeakPolarHBondContact O-CB 3.44Å; I10-A14 PolarHBondContact O-N 2.78Å; I10-A14 VanDerWaalsContact O-N 3.08Å
11S78Confident73.4Confident79 Ų7980.5 Ų80.555%0.55243%0.433SS*.Hα-helixtrans-67.1-41.7178.7-65.10000112.5Q7 C8 I9 L15Q7-S11 WeakPolarHBondContact O-CB 3.14Å; Q7-S11 PolarHBondContact O-N 2.57Å; Q7-S11 PolarHBondContact O-OG 3.4Å; C8-S11 PolarHBondContact O-N 3.17Å; I9-S11 PolarHBondContact O-N 3.37Å; S11-L15 WeakPolarHBondContact O-CB 3.16Å; S11-L15 PolarHBondContact O-N 3.13Å
12Y81.7Confident75Confident17 Ų1776.2 Ų76.27%0.06742%0.416CS..Hα-helixtrans-66.3-47.2177.3175.7-117.1000111.5C8 I9 A14 L15 T16 Y23 N24 F27 T39C8-Y12 WeakPolarHBondContact O-CB 3.43Å; C8-Y12 PolarHBondContact O-N 2.85Å; I9-Y12 PolarHBondContact O-N 2.61Å; Y12-A14 PolarHBondContact O-N 2.98Å; Y12-L15 PolarHBondContact O-N 2.9Å; Y12-L15 VanDerWaalsContact O-N 3.08Å; Y12-T16 HydrophobicContact CD2-CG2 4.12Å; Y12-T16 HydrophobicContact CE1-CG2 4.08Å; Y12-T16 HydrophobicContact CE2-CG2 3.53Å; Y12-T16 PolarHBondContact O-N 3.5Å; Y12-T16 PolarHBondContact O-OG1 3.15Å; Y12-Y23 AromaticContact CD1-CD2 3.96Å; Y12-Y23 HydrophobicContact CD1-CD2 3.96Å; Y12-Y23 AromaticContact CD1-CE2 3.65Å; Y12-Y23 HydrophobicContact CD1-CE2 3.65Å; Y12-Y23 AromaticContact CE1-CD2 3.59Å; Y12-Y23 HydrophobicContact CE1-CD2 3.59Å; Y12-Y23 AromaticContact CE1-CE2 3.66Å; Y12-Y23 HydrophobicContact CE1-CE2 3.66Å; Y12-Y23 HydrophobicContact CE1-CG 4.44Å; Y12-N24 VanDerWaalsContact CE1-O 3.22Å; Y12-N24 WeakPolarHBondContact CE1-O 3.48Å; Y12-N24 PolarHBondContact OH-N 2.8Å; Y12-F27 HydrophobicContact CD1-CB 4.03Å; Y12-F27 AromaticContact CD1-CD1 3.92Å; Y12-F27 HydrophobicContact CD1-CD1 3.92Å; Y12-F27 HydrophobicContact CD1-CG 4.17Å; Y12-F27 AromaticContact CD2-CD1 3.48Å; Y12-F27 HydrophobicContact CD2-CD1 3.48Å; Y12-F27 VanDerWaalsContact CD2-CD1 3.48Å; Y12-F27 HydrophobicContact CD2-CD2 4.29Å; Y12-F27 AromaticContact CD2-CE1 3.6Å; Y12-F27 HydrophobicContact CD2-CE1 3.6Å; Y12-F27 HydrophobicContact CD2-CE2 4.37Å; Y12-F27 AromaticContact CD2-CG 3.86Å; Y12-F27 HydrophobicContact CD2-CG 3.86Å; Y12-F27 HydrophobicContact CD2-CZ 4.06Å; Y12-F27 HydrophobicContact CE1-CB 3.65Å; Y12-F27 HydrophobicContact CE1-CD1 4.26Å; Y12-F27 HydrophobicContact CE1-CG 4.04Å; Y12-F27 HydrophobicContact CE2-CB 4.19Å; Y12-F27 AromaticContact CE2-CD1 3.86Å; Y12-F27 HydrophobicContact CE2-CD1 3.86Å; Y12-F27 AromaticContact CE2-CD2 3.88Å; Y12-F27 HydrophobicContact CE2-CD2 3.88Å; Y12-F27 HydrophobicContact CE2-CE1 4.17Å; Y12-F27 HydrophobicContact CE2-CE2 4.16Å; Y12-F27 AromaticContact CE2-CG 3.71Å; Y12-F27 HydrophobicContact CE2-CG 3.71Å; Y12-F27 HydrophobicContact CE2-CZ 4.31Å; Y12-F27 HydrophobicContact CG-CB 4.46Å; Y12-F27 AromaticContact CG-CD1 3.53Å; Y12-F27 HydrophobicContact CG-CD1 3.53Å; Y12-F27 AromaticContact CG-CE1 3.95Å; Y12-F27 HydrophobicContact CG-CE1 3.95Å; Y12-F27 HydrophobicContact CG-CG 4.1Å; Y12-F27 AromaticContact CZ-CG 3.81Å; Y12-T39 HydrophobicContact CE2-CG2 4.25Å
13F76.9Confident75.8Confident64 Ų6477.3 Ų77.328%0.28141%0.409SS..Hα-helixtrans-59.1-45.7177.7-179.7-91.2000112.7I9 L15 T16 Q17 Y23I9-F13 VanDerWaalsContact O-CB 3.27Å; I9-F13 WeakPolarHBondContact O-CB 3.27Å; I9-F13 PolarHBondContact O-N 3.22Å; F13-L15 PolarHBondContact O-N 2.87Å; F13-T16 WeakPolarHBondContact CA-OG1 3.45Å; F13-T16 PolarHBondContact O-N 2.83Å; F13-T16 PolarHBondContact O-OG1 3.11Å; F13-Q17 HydrophobicContact CD1-CG 4.37Å; F13-Q17 HydrophobicContact CE1-CG 3.99Å; F13-Q17 VanDerWaalsContact CE1-OE1 3.28Å; F13-Q17 HydrophobicContact CZ-CG 4.16Å; F13-Q17 WeakPolarHBondContact O-CG 3.14Å; F13-Q17 PolarHBondContact O-N 2.64Å; F13-Y23 HydrophobicContact CB-CE2 4.13Å; F13-Y23 HydrophobicContact CD2-CD2 4.07Å; F13-Y23 AromaticContact CD2-CE2 3.93Å; F13-Y23 HydrophobicContact CD2-CE2 3.93Å
14A79.1Confident75.6Confident56 Ų5675.9 Ų75.946%0.46340%0.401SS..Hα-helixtrans-60.9-34.1176.300000112.1I10 Y12 H18I10-A14 WeakPolarHBondContact O-CB 3.44Å; I10-A14 PolarHBondContact O-N 2.78Å; I10-A14 VanDerWaalsContact O-N 3.08Å; Y12-A14 PolarHBondContact O-N 2.98Å; A14-H18 WeakPolarHBondContact O-CB 3.24Å; A14-H18 PolarHBondContact O-N 3.44Å; A14-H18 VanDerWaalsContact O-N 3.07Å
15L78Confident75.4Confident60 Ų6074.7 Ų74.731%0.31439%0.393SS..Hα-helixtrans-77.5-41.9-179.7-159.9156.9000111.8S11 Y12 F13 Q17 H18 Y19 L21 I43S11-L15 WeakPolarHBondContact O-CB 3.16Å; S11-L15 PolarHBondContact O-N 3.13Å; Y12-L15 PolarHBondContact O-N 2.9Å; Y12-L15 VanDerWaalsContact O-N 3.08Å; F13-L15 PolarHBondContact O-N 2.87Å; L15-Q17 VanDerWaalsContact C-N 3.27Å; L15-Q17 PolarHBondContact O-N 2.75Å; L15-H18 PolarHBondContact O-N 2.87Å; L15-Y19 HydrophobicContact CD2-CD2 3.66Å; L15-Y19 HydrophobicContact CD2-CE2 4.15Å; L15-Y19 HydrophobicContact CG-CD2 3.97Å; L15-Y19 HydrophobicContact CG-CE2 4.1Å; L15-Y19 WeakPolarHBondContact O-CD2 3.1Å; L15-Y19 PolarHBondContact O-N 2.81Å; L15-Y19 VanDerWaalsContact O-N 3.11Å; L15-L21 HydrophobicContact CD2-CD1 4.47Å; L15-I43 HydrophobicContact CD1-CD1 4.36Å; L15-I43 HydrophobicContact CD2-CD1 3.3Å; L15-I43 HydrophobicContact CD2-CG1 3.59Å; L15-I43 HydrophobicContact CD2-CG2 4.25Å; L15-I43 HydrophobicContact CG-CD1 4.49Å
16T78.4Confident75.2Confident6 Ų676.4 Ų76.44%0.03740%0.403CS..Hα-helixtrans-60.5-37.5173.246.70000111.9Y12 F13 Q20 L21 Y23Y12-T16 HydrophobicContact CD2-CG2 4.12Å; Y12-T16 HydrophobicContact CE1-CG2 4.08Å; Y12-T16 HydrophobicContact CE2-CG2 3.53Å; Y12-T16 PolarHBondContact O-N 3.5Å; Y12-T16 PolarHBondContact O-OG1 3.15Å; F13-T16 WeakPolarHBondContact CA-OG1 3.45Å; F13-T16 PolarHBondContact O-N 2.83Å; F13-T16 PolarHBondContact O-OG1 3.11Å; T16-Q20 WeakPolarHBondContact O-CA 3.39Å; T16-Q20 PolarHBondContact O-N 2.85Å; T16-Q20 VanDerWaalsContact O-N 3.08Å; T16-L21 HydrophobicContact CG2-CB 4.22Å; T16-L21 PolarHBondContact O-N 3.28Å; T16-Y23 HydrophobicContact CG2-CD2 4.37Å
17Q75.1Confident75.4Confident72 Ų7276 Ų7634%0.33639%0.394SS..Hα-helixtrans-65.8-48.2173.2-71.5-135.9-92.900112.7F13 L15 Y19 Q20 T172F13-Q17 HydrophobicContact CD1-CG 4.37Å; F13-Q17 HydrophobicContact CE1-CG 3.99Å; F13-Q17 VanDerWaalsContact CE1-OE1 3.28Å; F13-Q17 HydrophobicContact CZ-CG 4.16Å; F13-Q17 WeakPolarHBondContact O-CG 3.14Å; F13-Q17 PolarHBondContact O-N 2.64Å; L15-Q17 VanDerWaalsContact C-N 3.27Å; L15-Q17 PolarHBondContact O-N 2.75Å; Q17-Y19 VanDerWaalsContact C-N 3.26Å; Q17-Y19 PolarHBondContact O-N 3.38Å; Q17-Q20 PolarHBondContact O-N 3.33Å; Q17-T172 PolarHBondContact NE2-O 2.93Å
18H75.9Confident75.3Confident139 Ų13971.8 Ų71.864%0.64438%0.375SS*.Hα-helixtrans-62.6-29.8-177.5-173.6-68.8000113.4A14 L15A14-H18 WeakPolarHBondContact O-CB 3.24Å; A14-H18 PolarHBondContact O-N 3.44Å; A14-H18 VanDerWaalsContact O-N 3.07Å; L15-H18 PolarHBondContact O-N 2.87Å
19Y72.7Confident74.9Confident62 Ų6275.6 Ų75.624%0.24339%0.386CS..THydrogen-bonded Turntrans-112.111.2-176.9-65.6-75.5000114.4L15 Q17 L21 I43 I47L15-Y19 HydrophobicContact CD2-CD2 3.66Å; L15-Y19 HydrophobicContact CD2-CE2 4.15Å; L15-Y19 HydrophobicContact CG-CD2 3.97Å; L15-Y19 HydrophobicContact CG-CE2 4.1Å; L15-Y19 WeakPolarHBondContact O-CD2 3.1Å; L15-Y19 PolarHBondContact O-N 2.81Å; L15-Y19 VanDerWaalsContact O-N 3.11Å; Q17-Y19 VanDerWaalsContact C-N 3.26Å; Q17-Y19 PolarHBondContact O-N 3.38Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; Y19-L21 PolarHBondContact O-N 3.27Å; Y19-I43 HydrophobicContact CD2-CG2 4.4Å; Y19-I43 HydrophobicContact CE2-CG2 4.28Å; Y19-I47 HydrophobicContact CE1-CD1 4.35Å; Y19-I47 HydrophobicContact CE1-CG1 3.7Å
20Q73.1Confident74.2Confident171 Ų17174.3 Ų74.380%0.79938%0.381SS*.THydrogen-bonded Turntrans49.946.5-179.1-60.4-177-8.800113.1T16 Q17T16-Q20 WeakPolarHBondContact O-CA 3.39Å; T16-Q20 PolarHBondContact O-N 2.85Å; T16-Q20 VanDerWaalsContact O-N 3.08Å; Q17-Q20 PolarHBondContact O-N 3.33Å
21L72.5Confident73.5Confident28 Ų2872.5 Ų72.515%0.14739%0.392CS..  trans-98.9146.8179.5-59.5174000111L15 T16 Y19 Y23 I43 Y46L15-L21 HydrophobicContact CD2-CD1 4.47Å; T16-L21 HydrophobicContact CG2-CB 4.22Å; T16-L21 PolarHBondContact O-N 3.28Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; Y19-L21 PolarHBondContact O-N 3.27Å; L21-Y23 PolarHBondContact O-N 2.93Å; L21-I43 HydrophobicContact CD1-CD1 4.44Å; L21-I43 HydrophobicContact CD1-CG1 3.61Å; L21-Y46 HydrophobicContact CD2-CD2 3.87Å; L21-Y46 HydrophobicContact CD2-CE2 3.72Å
22D74.7Confident73Confident159 Ų15972 Ų7285%0.8538%0.383SS*.  trans-58.9125.9172.3-76.9-42.4000111.1N24D22-N24 PolarHBondContact O-N 3.17Å
23Y74.8Confident72.4Confident98 Ų9875.9 Ų75.938%0.38441%0.41SS..  trans-82.2109.2-178.7175.1-96.3000110.9Y12 F13 T16 L21 P25Y12-Y23 AromaticContact CD1-CD2 3.96Å; Y12-Y23 HydrophobicContact CD1-CD2 3.96Å; Y12-Y23 AromaticContact CD1-CE2 3.65Å; Y12-Y23 HydrophobicContact CD1-CE2 3.65Å; Y12-Y23 AromaticContact CE1-CD2 3.59Å; Y12-Y23 HydrophobicContact CE1-CD2 3.59Å; Y12-Y23 AromaticContact CE1-CE2 3.66Å; Y12-Y23 HydrophobicContact CE1-CE2 3.66Å; Y12-Y23 HydrophobicContact CE1-CG 4.44Å; F13-Y23 HydrophobicContact CB-CE2 4.13Å; F13-Y23 HydrophobicContact CD2-CD2 4.07Å; F13-Y23 AromaticContact CD2-CE2 3.93Å; F13-Y23 HydrophobicContact CD2-CE2 3.93Å; T16-Y23 HydrophobicContact CG2-CD2 4.37Å; L21-Y23 PolarHBondContact O-N 2.93Å; Y23-P25 HydrophobicContact CE1-CB 3.92Å; Y23-P25 WeakPolarHBondContact O-CD 3.27Å
24N73.3Confident72.1Confident62 Ų6281.6 Ų81.633%0.33243%0.43SS..  trans-92.8107.7172.3-178.1-6.8000110.2Y12 D22 D26 F27Y12-N24 VanDerWaalsContact CE1-O 3.22Å; Y12-N24 WeakPolarHBondContact CE1-O 3.48Å; Y12-N24 PolarHBondContact OH-N 2.8Å; D22-N24 PolarHBondContact O-N 3.17Å; N24-D26 PolarHBondContact O-N 2.89Å; N24-D26 VanDerWaalsContact O-N 3.15Å; N24-D26 WeakPolarHBondContact OD1-CB 3.48Å; N24-D26 PolarHBondContact OD1-N 2.74Å; N24-F27 WeakPolarHBondContact O-CB 3.33Å; N24-F27 PolarHBondContact O-N 2.81Å; N24-F27 VanDerWaalsContact O-N 3.11Å
25P69.1Low71.4Confident70 Ų7082.6 Ų82.646%0.45543%0.425SS..G310 helixtrans-60.2-27.3-179.125.7-34.6000113.3Y23 F27 F29Y23-P25 HydrophobicContact CE1-CB 3.92Å; Y23-P25 WeakPolarHBondContact O-CD 3.27Å; P25-F27 VanDerWaalsContact C-N 3.3Å; P25-F27 PolarHBondContact O-N 2.85Å; P25-F29 WeakPolarHBondContact O-CD2 3.34Å
26D69.8Low70.9Confident98 Ų9882.5 Ų82.552%0.52442%0.422SS..G310 helixtrans-77.1-12-179-68.6-42.1000113.2N24 C28 F29 S30N24-D26 PolarHBondContact O-N 2.89Å; N24-D26 VanDerWaalsContact O-N 3.15Å; N24-D26 WeakPolarHBondContact OD1-CB 3.48Å; N24-D26 PolarHBondContact OD1-N 2.74Å; D26-C28 PolarHBondContact O-N 2.96Å; D26-C28 VanDerWaalsContact O-N 3.1Å; D26-F29 CarbonylContact O-C 3.57Å; D26-F29 WeakPolarHBondContact O-CA 3.41Å; D26-F29 PolarHBondContact O-N 3.38Å; D26-S30 WeakPolarHBondContact O-CB 3.19Å; D26-S30 PolarHBondContact O-N 2.69Å
27F73.3Confident70.7Confident32 Ų3286.3 Ų86.314%0.1444%0.442CS..G310 helixtrans-52.4-38.8179.9179.7-88.5000112.9Y12 N24 P25 F29 K36 T39Y12-F27 HydrophobicContact CD1-CB 4.03Å; Y12-F27 AromaticContact CD1-CD1 3.92Å; Y12-F27 HydrophobicContact CD1-CD1 3.92Å; Y12-F27 HydrophobicContact CD1-CG 4.17Å; Y12-F27 AromaticContact CD2-CD1 3.48Å; Y12-F27 HydrophobicContact CD2-CD1 3.48Å; Y12-F27 VanDerWaalsContact CD2-CD1 3.48Å; Y12-F27 HydrophobicContact CD2-CD2 4.29Å; Y12-F27 AromaticContact CD2-CE1 3.6Å; Y12-F27 HydrophobicContact CD2-CE1 3.6Å; Y12-F27 HydrophobicContact CD2-CE2 4.37Å; Y12-F27 AromaticContact CD2-CG 3.86Å; Y12-F27 HydrophobicContact CD2-CG 3.86Å; Y12-F27 HydrophobicContact CD2-CZ 4.06Å; Y12-F27 HydrophobicContact CE1-CB 3.65Å; Y12-F27 HydrophobicContact CE1-CD1 4.26Å; Y12-F27 HydrophobicContact CE1-CG 4.04Å; Y12-F27 HydrophobicContact CE2-CB 4.19Å; Y12-F27 AromaticContact CE2-CD1 3.86Å; Y12-F27 HydrophobicContact CE2-CD1 3.86Å; Y12-F27 AromaticContact CE2-CD2 3.88Å; Y12-F27 HydrophobicContact CE2-CD2 3.88Å; Y12-F27 HydrophobicContact CE2-CE1 4.17Å; Y12-F27 HydrophobicContact CE2-CE2 4.16Å; Y12-F27 AromaticContact CE2-CG 3.71Å; Y12-F27 HydrophobicContact CE2-CG 3.71Å; Y12-F27 HydrophobicContact CE2-CZ 4.31Å; Y12-F27 HydrophobicContact CG-CB 4.46Å; Y12-F27 AromaticContact CG-CD1 3.53Å; Y12-F27 HydrophobicContact CG-CD1 3.53Å; Y12-F27 AromaticContact CG-CE1 3.95Å; Y12-F27 HydrophobicContact CG-CE1 3.95Å; Y12-F27 HydrophobicContact CG-CG 4.1Å; Y12-F27 AromaticContact CZ-CG 3.81Å; N24-F27 WeakPolarHBondContact O-CB 3.33Å; N24-F27 PolarHBondContact O-N 2.81Å; N24-F27 VanDerWaalsContact O-N 3.11Å; P25-F27 VanDerWaalsContact C-N 3.3Å; P25-F27 PolarHBondContact O-N 2.85Å; F27-F29 VanDerWaalsContact C-N 3.33Å; F27-K36 HydrophobicContact CD2-CG 4.21Å; F27-K36 HydrophobicContact CE2-CB 4.34Å; F27-K36 HydrophobicContact CE2-CG 3.78Å; F27-K36 HydrophobicContact CZ-CG 4.07Å; F27-K36 WeakPolarHBondContact O-CE 3.31Å; F27-K36 PolarHBondContact O-NZ 3.3Å; F27-T39 HydrophobicContact CE2-CG2 4.19Å
28C72.4Confident70.6Confident14 Ų1487 Ų8710%0.09545%0.448CS..G310 helixtrans-79.1-15.4179.2-62.60000113.9L5 C8 I9 D26L5-C28 HydrophobicContact CD1-CB 4.1Å; L5-C28 WeakPolarHBondContact CD1-O 3.47Å; C8-C28 VanDerWaalsContact SG-SG 3.62Å; I9-C28 VanDerWaalsContact CA-SG 3.54Å; I9-C28 HydrophobicContact CD1-CB 4.46Å; I9-C28 HydrophobicContact CG1-CB 3.59Å; I9-C28 VanDerWaalsContact CG1-SG 3.57Å; D26-C28 PolarHBondContact O-N 2.96Å; D26-C28 VanDerWaalsContact O-N 3.1Å
29F69.3Low70.2Confident133 Ų13381.5 Ų81.558%0.58342%0.424SS*.THydrogen-bonded Turntrans-106.8-24.2-178-62-85.1000113.3L5 I9 P25 D26 F27L5-F29 HydrophobicContact CD1-CD1 4.44Å; L5-F29 HydrophobicContact CD1-CE1 4.22Å; L5-F29 HydrophobicContact CD1-CZ 4.46Å; L5-F29 HydrophobicContact CD2-CE1 3.76Å; L5-F29 HydrophobicContact CD2-CZ 4.16Å; I9-F29 HydrophobicContact CD1-CE2 4.35Å; I9-F29 HydrophobicContact CD1-CZ 4.26Å; P25-F29 WeakPolarHBondContact O-CD2 3.34Å; D26-F29 CarbonylContact O-C 3.57Å; D26-F29 WeakPolarHBondContact O-CA 3.41Å; D26-F29 PolarHBondContact O-N 3.38Å; F27-F29 VanDerWaalsContact C-N 3.33Å
30S62.7Low70.3Confident23 Ų2383.4 Ų83.416%0.16144%0.437CS..  trans-71.1138.2-172.185.40000112.3D26 E35 K36D26-S30 WeakPolarHBondContact O-CB 3.19Å; D26-S30 PolarHBondContact O-N 2.69Å; S30-E35 WeakPolarHBondContact CB-OE2 3.22Å; S30-E35 PolarHBondContact OG-OE2 2.98Å; S30-K36 PolarHBondContact O-NZ 3.48Å
31G62.7Low70.4Confident80 Ų8082.5 Ų82.583%0.82543%0.427SS*.  trans-84.6-9.2178.700000114.2P33G31-P33 WeakPolarHBondContact O-CD 3.2Å
32D67.6Low70.5Confident67 Ų6786.2 Ų86.236%0.35844%0.443SS..  trans-83120-172.8-165.9-14.3000111.6R34 E35D32-R34 PolarHBondContact O-N 3.32Å; D32-R34 VanDerWaalsContact OD1-CB 3.23Å; D32-R34 WeakPolarHBondContact OD1-CB 3.34Å; D32-R34 VanDerWaalsContact OD1-CG 3.24Å; D32-R34 WeakPolarHBondContact OD1-CG 3.29Å; D32-R34 PolarHBondContact OD1-N 2.85Å; D32-E35 HydrophobicContact CB-CG 4.45Å
33P69.6Low70.3Confident100 Ų10079.8 Ų79.865%0.64941%0.409SS*.Hα-helixtrans-62.9-20.4172-21.434.6000113.9G31 L37G31-P33 WeakPolarHBondContact O-CD 3.2Å; P33-L37 WeakPolarHBondContact O-CB 3.43Å; P33-L37 PolarHBondContact O-N 3.29Å
34R69.1Low70.3Confident183 Ų18380.6 Ų80.669%0.69142%0.42SS*.Hα-helixtrans-71.7-44.4-174.1-65.6170.6171-170.5-2.1113D32 K36 L37 N38D32-R34 PolarHBondContact O-N 3.32Å; D32-R34 VanDerWaalsContact OD1-CB 3.23Å; D32-R34 WeakPolarHBondContact OD1-CB 3.34Å; D32-R34 VanDerWaalsContact OD1-CG 3.24Å; D32-R34 WeakPolarHBondContact OD1-CG 3.29Å; D32-R34 PolarHBondContact OD1-N 2.85Å; R34-K36 VanDerWaalsContact C-N 3.31Å; R34-K36 PolarHBondContact O-N 3.15Å; R34-L37 PolarHBondContact O-N 3.48Å; R34-N38 PolarHBondContact O-N 3.22Å
35E65Low70.4Confident77 Ų7780.1 Ų80.136%0.3642%0.421SS..Hα-helixtrans-58.7-48.4175.2-62.2-178.4138.300110S30 D32 L37 N38 T39S30-E35 WeakPolarHBondContact CB-OE2 3.22Å; S30-E35 PolarHBondContact OG-OE2 2.98Å; D32-E35 HydrophobicContact CB-CG 4.45Å; E35-L37 VanDerWaalsContact C-N 3.32Å; E35-L37 PolarHBondContact O-N 3.33Å; E35-N38 WeakPolarHBondContact O-CB 3.28Å; E35-N38 PolarHBondContact O-N 2.97Å; E35-T39 PolarHBondContact O-N 3.44Å; E35-T39 PolarHBondContact O-OG1 3.25Å
36K68.2Low70.4Confident59 Ų5981 Ų8126%0.25742%0.416SS..Hα-helixtrans-61-39.7179.2-70.8167.7179.7174.90112.2F27 S30 R34 I40F27-K36 HydrophobicContact CD2-CG 4.21Å; F27-K36 HydrophobicContact CE2-CB 4.34Å; F27-K36 HydrophobicContact CE2-CG 3.78Å; F27-K36 HydrophobicContact CZ-CG 4.07Å; F27-K36 WeakPolarHBondContact O-CE 3.31Å; F27-K36 PolarHBondContact O-NZ 3.3Å; S30-K36 PolarHBondContact O-NZ 3.48Å; R34-K36 VanDerWaalsContact C-N 3.31Å; R34-K36 PolarHBondContact O-N 3.15Å; K36-I40 WeakPolarHBondContact O-CB 3.44Å; K36-I40 WeakPolarHBondContact O-CD1 3.33Å; K36-I40 WeakPolarHBondContact O-CG1 3.37Å; K36-I40 PolarHBondContact O-N 2.91Å; K36-I40 VanDerWaalsContact O-N 3.14Å
37L73.6Confident70.5Confident86 Ų8679.1 Ų79.145%0.4541%0.405SS..Hα-helixtrans-66.5-36174.3-166.875.3000112.6P33 R34 E35 R41P33-L37 WeakPolarHBondContact O-CB 3.43Å; P33-L37 PolarHBondContact O-N 3.29Å; R34-L37 PolarHBondContact O-N 3.48Å; E35-L37 VanDerWaalsContact C-N 3.32Å; E35-L37 PolarHBondContact O-N 3.33Å; L37-R41 WeakPolarHBondContact O-CD 3.36Å; L37-R41 VanDerWaalsContact O-CG 3.32Å; L37-R41 WeakPolarHBondContact O-CG 3.31Å; L37-R41 PolarHBondContact O-N 3.38Å; L37-R41 VanDerWaalsContact O-N 3.16Å
38N73.1Confident70.4Confident87 Ų8779.6 Ų79.647%0.46542%0.42SS..Hα-helixtrans-68.7-49.3178.2-72.9-11.9000111.3R34 E35 I40 R41 E42R34-N38 PolarHBondContact O-N 3.22Å; E35-N38 WeakPolarHBondContact O-CB 3.28Å; E35-N38 PolarHBondContact O-N 2.97Å; N38-I40 VanDerWaalsContact C-N 3.29Å; N38-I40 PolarHBondContact O-N 3.48Å; N38-R41 WeakPolarHBondContact O-CB 3.3Å; N38-R41 PolarHBondContact O-N 2.96Å; N38-E42 PolarHBondContact O-N 3.11Å
39T67.5Low70.4Confident22 Ų2284.7 Ų84.714%0.13544%0.437CS..Hα-helixtrans-59.3-40.8176.8-45.90000111.5Y12 F27 E35 R41 E42 I43Y12-T39 HydrophobicContact CE2-CG2 4.25Å; F27-T39 HydrophobicContact CE2-CG2 4.19Å; E35-T39 PolarHBondContact O-N 3.44Å; E35-T39 PolarHBondContact O-OG1 3.25Å; T39-R41 VanDerWaalsContact C-N 3.3Å; T39-R41 PolarHBondContact O-N 3.01Å; T39-E42 PolarHBondContact O-N 2.8Å; T39-I43 HydrophobicContact CG2-CD1 4.12Å; T39-I43 VanDerWaalsContact O-CD1 3.3Å; T39-I43 WeakPolarHBondContact O-CD1 3.47Å; T39-I43 VanDerWaalsContact O-CG1 3.22Å; T39-I43 WeakPolarHBondContact O-CG1 3.36Å; T39-I43 PolarHBondContact O-N 3.14Å
40I74.6Confident69.9Low103 Ų10382.1 Ų82.153%0.52844%0.441SS..Hα-helixtrans-59.1-39174.8-72167.3000111.9K36 N38 D44K36-I40 WeakPolarHBondContact O-CB 3.44Å; K36-I40 WeakPolarHBondContact O-CD1 3.33Å; K36-I40 WeakPolarHBondContact O-CG1 3.37Å; K36-I40 PolarHBondContact O-N 2.91Å; K36-I40 VanDerWaalsContact O-N 3.14Å; N38-I40 VanDerWaalsContact C-N 3.29Å; N38-I40 PolarHBondContact O-N 3.48Å; I40-D44 WeakPolarHBondContact O-CB 3.38Å; I40-D44 PolarHBondContact O-N 3.42Å
41R76.4Confident69.8Low151 Ų15187.4 Ų87.457%0.5747%0.467SS*.Hα-helixtrans-69.8-35.1176.2-73.4164.9168.6176.4-5.9113.2L37 N38 T39 D44 S45L37-R41 WeakPolarHBondContact O-CD 3.36Å; L37-R41 VanDerWaalsContact O-CG 3.32Å; L37-R41 WeakPolarHBondContact O-CG 3.31Å; L37-R41 PolarHBondContact O-N 3.38Å; L37-R41 VanDerWaalsContact O-N 3.16Å; N38-R41 WeakPolarHBondContact O-CB 3.3Å; N38-R41 PolarHBondContact O-N 2.96Å; T39-R41 VanDerWaalsContact C-N 3.3Å; T39-R41 PolarHBondContact O-N 3.01Å; R41-D44 PolarHBondContact O-N 3.34Å; R41-S45 WeakPolarHBondContact O-CB 3.33Å; R41-S45 PolarHBondContact O-N 3.27Å
42E73.2Confident69.5Low106 Ų10687 Ų8750%0.49545%0.452SS..Hα-helixtrans-66.1-43176.1-70.7173.5150.700111.1N38 T39 S45 Y46N38-E42 PolarHBondContact O-N 3.11Å; T39-E42 PolarHBondContact O-N 2.8Å; E42-S45 WeakPolarHBondContact O-CB 3.49Å; E42-S45 PolarHBondContact O-N 3.18Å; E42-S45 PolarHBondContact O-OG 2.76Å; E42-Y46 PolarHBondContact O-N 3.42Å
43I71.6Confident68.3Low25 Ų2589.8 Ų89.813%0.12847%0.466CS..Hα-helixtrans-59.6-48.5173.4-61.6157.5000110.6L15 Y19 L21 T39 S45 Y46 I47L15-I43 HydrophobicContact CD1-CD1 4.36Å; L15-I43 HydrophobicContact CD2-CD1 3.3Å; L15-I43 HydrophobicContact CD2-CG1 3.59Å; L15-I43 HydrophobicContact CD2-CG2 4.25Å; L15-I43 HydrophobicContact CG-CD1 4.49Å; Y19-I43 HydrophobicContact CD2-CG2 4.4Å; Y19-I43 HydrophobicContact CE2-CG2 4.28Å; L21-I43 HydrophobicContact CD1-CD1 4.44Å; L21-I43 HydrophobicContact CD1-CG1 3.61Å; T39-I43 HydrophobicContact CG2-CD1 4.12Å; T39-I43 VanDerWaalsContact O-CD1 3.3Å; T39-I43 WeakPolarHBondContact O-CD1 3.47Å; T39-I43 VanDerWaalsContact O-CG1 3.22Å; T39-I43 WeakPolarHBondContact O-CG1 3.36Å; T39-I43 PolarHBondContact O-N 3.14Å; I43-S45 VanDerWaalsContact C-N 3.28Å; I43-S45 PolarHBondContact O-N 2.93Å; I43-Y46 PolarHBondContact O-N 2.94Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.42Å; I43-I47 WeakPolarHBondContact O-CG1 3.34Å; I43-I47 PolarHBondContact O-N 3.27Å
44D74.3Confident66.6Low114 Ų11490.8 Ų90.861%0.6147%0.473SS*.Hα-helixtrans-61.3-36.3177.4-160.343.3000111.7I40 R41 Y46 G48I40-D44 WeakPolarHBondContact O-CB 3.38Å; I40-D44 PolarHBondContact O-N 3.42Å; R41-D44 PolarHBondContact O-N 3.34Å; D44-Y46 VanDerWaalsContact C-N 3.34Å; D44-Y46 PolarHBondContact O-N 3.41Å; D44-G48 PolarHBondContact O-N 3.24Å
45S75.7Confident65.2Low53 Ų5387.7 Ų87.737%0.37147%0.474SS..Hα-helixtrans-67.2-30.3173.388.70000113.9R41 E42 I43 R49R41-S45 WeakPolarHBondContact O-CB 3.33Å; R41-S45 PolarHBondContact O-N 3.27Å; E42-S45 WeakPolarHBondContact O-CB 3.49Å; E42-S45 PolarHBondContact O-N 3.18Å; E42-S45 PolarHBondContact O-OG 2.76Å; I43-S45 VanDerWaalsContact C-N 3.28Å; I43-S45 PolarHBondContact O-N 2.93Å; S45-R49 WeakPolarHBondContact O-CG 3.47Å; S45-R49 PolarHBondContact O-N 2.86Å; S45-R49 PolarHBondContact O-NE 2.79Å; S45-R49 PolarHBondContact OG-NH2 3.2Å; S45-R49 VanDerWaalsContact OG-NH2 3.11Å
46Y68Low63.6Low87 Ų8792.3 Ų92.334%0.34150%0.496SS..Hα-helixtrans-79.4-44177.8-102.1-68.5000110.8L21 E42 I43 D44 G48 R49 A50L21-Y46 HydrophobicContact CD2-CD2 3.87Å; L21-Y46 HydrophobicContact CD2-CE2 3.72Å; E42-Y46 PolarHBondContact O-N 3.42Å; I43-Y46 PolarHBondContact O-N 2.94Å; D44-Y46 VanDerWaalsContact C-N 3.34Å; D44-Y46 PolarHBondContact O-N 3.41Å; Y46-G48 VanDerWaalsContact C-N 3.3Å; Y46-G48 PolarHBondContact O-N 3.37Å; Y46-R49 VanDerWaalsContact CD2-NH2 3.28Å; Y46-R49 PolarHBondContact O-N 3.26Å; Y46-A50 WeakPolarHBondContact O-CB 3.23Å; Y46-A50 PolarHBondContact O-N 3.34Å
47I72.5Confident62Low59 Ų5998.9 Ų98.930%0.30353%0.527SS..Hα-helixtrans-61.2-41.2172.6-66171000110.1Y19 I43 A50 N51Y19-I47 HydrophobicContact CE1-CD1 4.35Å; Y19-I47 HydrophobicContact CE1-CG1 3.7Å; I43-I47 HydrophobicContact CG2-CD1 3.77Å; I43-I47 HydrophobicContact CG2-CG1 4.42Å; I43-I47 WeakPolarHBondContact O-CG1 3.34Å; I43-I47 PolarHBondContact O-N 3.27Å; I47-A50 PolarHBondContact O-N 2.9Å; I47-N51 WeakPolarHBondContact CG2-ND2 3.29Å; I47-N51 WeakPolarHBondContact O-CB 3.37Å; I47-N51 PolarHBondContact O-N 2.82Å; I47-N51 VanDerWaalsContact O-N 3.09Å; I47-N51 PolarHBondContact O-ND2 2.94Å
48G72.4Confident59.9Low43 Ų4399.6 Ų99.644%0.44354%0.539SS..Hα-helixtrans-57.8-49.2174.300000112.8D44 Y46 N51 S52D44-G48 PolarHBondContact O-N 3.24Å; Y46-G48 VanDerWaalsContact C-N 3.3Å; Y46-G48 PolarHBondContact O-N 3.37Å; G48-N51 PolarHBondContact O-N 3.35Å; G48-S52 PolarHBondContact O-N 2.89Å; G48-S52 PolarHBondContact O-OG 2.86Å
49R70.6Confident57.8Low120 Ų120106.8 Ų106.845%0.45356%0.56SS.*Hα-helixtrans-62.8-48.7176.2-78.5176.2-77.1155.5-4.4112.5S45 Y46 N51 S52S45-R49 WeakPolarHBondContact O-CG 3.47Å; S45-R49 PolarHBondContact O-N 2.86Å; S45-R49 PolarHBondContact O-NE 2.79Å; S45-R49 PolarHBondContact OG-NH2 3.2Å; S45-R49 VanDerWaalsContact OG-NH2 3.11Å; Y46-R49 VanDerWaalsContact CD2-NH2 3.28Å; Y46-R49 PolarHBondContact O-N 3.26Å; R49-N51 PolarHBondContact O-N 3.49Å; R49-S52 WeakPolarHBondContact CA-OG 3.28Å; R49-S52 PolarHBondContact O-N 3.5Å; R49-S52 PolarHBondContact O-OG 3.29Å
50A59Low56.1Low80 Ų80111.1 Ų111.166%0.66159%0.591SS**Hα-helixtrans-62.9-24.9-178.500000113.7Y46 I47Y46-A50 WeakPolarHBondContact O-CB 3.23Å; Y46-A50 PolarHBondContact O-N 3.34Å; I47-A50 PolarHBondContact O-N 2.9Å
51N62.1Low53.9Low134 Ų134114.4 Ų114.472%0.71761%0.609SS**THydrogen-bonded Turntrans-93.5-2.8175.2-72.1-76.2000114I47 G48 R49I47-N51 WeakPolarHBondContact CG2-ND2 3.29Å; I47-N51 WeakPolarHBondContact O-CB 3.37Å; I47-N51 PolarHBondContact O-N 2.82Å; I47-N51 VanDerWaalsContact O-N 3.09Å; I47-N51 PolarHBondContact O-ND2 2.94Å; G48-N51 PolarHBondContact O-N 3.35Å; R49-N51 PolarHBondContact O-N 3.49Å
52S55.7Low51.5Low72 Ų72116.2 Ų116.250%0.50362%0.624SS.*THydrogen-bonded Turntrans-100.1-4.7-177.859.60000115.7G48 R49 P54G48-S52 PolarHBondContact O-N 2.89Å; G48-S52 PolarHBondContact O-OG 2.86Å; R49-S52 WeakPolarHBondContact CA-OG 3.28Å; R49-S52 PolarHBondContact O-N 3.5Å; R49-S52 PolarHBondContact O-OG 3.29Å; S52-P54 WeakPolarHBondContact O-CD 3.47Å
53D41.3Very low49.6Very low124 Ų124116.3 Ų116.366%0.66363%0.633SS**  trans-109.178.3-178.6-72.7-41.1000113.9V55D53-V55 PolarHBondContact O-N 3.22Å
54P34.8Very low47.7Very low121 Ų121123.3 Ų123.379%0.78667%0.665SS**  trans-88.976.5170.536.2-34.2000110.9S52S52-P54 WeakPolarHBondContact O-CD 3.47Å
55V40.7Very low45.6Very low118 Ų118128.4 Ų128.472%0.71568%0.678SS**  trans-112.6119.2-178.6-176.50000112.2D53D53-V55 PolarHBondContact O-N 3.22Å
56E30.9Very low43.5Very low175 Ų175132 Ų13282%0.81869%0.693SS**  trans-68.4129.1174-55.3167.1105.400111.1
57H33.7Very low41.9Very low197 Ų197135.9 Ų135.991%0.91272%0.718SS**  trans-141.181.2156.2-108.158.9000110.7
58S29.6Very low39.9Very low101 Ų101137.8 Ų137.871%0.70674%0.742SS**  trans-129.988.4174.354.40000111.2
59R30.5Very low37.8Very low237 Ų237146.9 Ų146.989%0.89477%0.765SS**  trans-170.7129.6164-106.3150.9-164.1-164.65.6112.1
60S30.2Very low36.1Very low114 Ų114150.2 Ų150.280%0.79779%0.785SS**  trans62.5144.5172.769.70000115.6
61L28.5Very low34.8Very low171 Ų171153 Ų15390%0.89579%0.79SS**  cis-125.8137.710.6-72.3160000112.2
62Q27.1Very low33.3Very low190 Ų190152.2 Ų152.289%0.88879%0.791SS**  trans-163.8144.4167.6-155.3179.816.800107.5
63P33Very low32.3Very low107 Ų107158.7 Ų158.770%0.69581%0.806SS**  cis-114.8164.1-8.338.9-27000114.2
64Q31.9Very low31.8Very low172 Ų172163.2 Ų163.280%0.80482%0.815SS**  trans-136.2163.9148-82.4-174.5-28.800108
65Y30.5Very low31.7Very low221 Ų221163.1 Ų163.187%0.86782%0.815SS**  trans70.541.7-174.4-54.6-76.3000116.7
66D31.1Very low31.2Very low128 Ų128163.6 Ų163.668%0.68482%0.818SS**  -88165.5124.6-94.5-52.9000108.2
67I33.8Very low31.1Very low170 Ų170161.5 Ų161.587%0.87282%0.817SS**  trans78.475.8-173.3-44.2167.2000114.1
68A29.8Very low31.1Very low98 Ų98156.4 Ų156.481%0.8181%0.809SS**  trans-150.633.8157.600000111.8
69Y29.7Very low31Very low234 Ų234156.7 Ų156.792%0.91881%0.811SS**  trans-124.368.6-175.5-103.5-79.2000111.3
70E34.1Very low31.2Very low190 Ų190154.7 Ų154.789%0.88881%0.812SS**SBendtrans-165.9150.8156.5-113.9161.4-149.500111
71N31.7Very low31.3Very low140 Ų140157.7 Ų157.775%0.74981%0.813SS**  trans65.691.8171.8-15631.3000119.1
72P31.3Very low31.4Very low116 Ų116161 Ų16175%0.75381%0.814SS**  trans-94.387.9173.836.1-31.2000113
73Y34.6Very low31.4Very low209 Ų209159.6 Ų159.682%0.8281%0.809SS**  trans-163.7123159.1-93.3-66.5000110.3
74Y30.5Very low31.7Very low218 Ų218159.2 Ų159.286%0.85581%0.807SS**  trans135.7126.3161.6-91-75.4000111.5
75P32.7Very low32.2Very low119 Ų119157.1 Ų157.177%0.77381%0.808SS**  trans-77.2133.3170.531.8-32.9000110.4
76V30.3Very low32.2Very low129 Ų129151.3 Ų151.378%0.78281%0.805SS**  trans-102.2104.9174.5179.90000108.9
77V29.4Very low32.5Very low130 Ų130152.9 Ų152.979%0.78881%0.814SS**  trans-75124.2162.51770000107.5
78A32.2Very low32.5Very low91 Ų91152 Ų15275%0.75281%0.811SS**  trans-123.570.4179.700000110.7
79S28.8Very low32.7Very low106 Ų106152.6 Ų152.674%0.74181%0.809SS**  trans-80.5114.4159.854.70000108.4
80E33.3Very low32.9Very low196 Ų196146 Ų14692%0.91680%0.803SS**  trans-138.2125.6167.6-140.8166.8-144.300110.7
81E33.8Very low32.9Very low177 Ų177141.1 Ų141.183%0.82779%0.79SS**  trans-97126.1-166.5-175.4174.9-167.200110M83E81-M83 PolarHBondContact O-N 3.32Å
82W29.7Very low33.1Very low241 Ų241145.8 Ų145.891%0.91380%0.797SS**  trans-82.677.6-168.5-135.777.6000112.7
83M28.1Very low33.4Very low159 Ų159143.9 Ų143.978%0.78379%0.787SS**PPolyproline II helixtrans-74.7127.9168.9-69.1-168.471.400111.1E81E81-M83 PolarHBondContact O-N 3.32Å
84P39.5Very low33.5Very low100 Ų100141 Ų14165%0.64979%0.786SS**PPolyproline II helixtrans-76.2151.1174.532.1-34.8000111.7
85P40.6Very low33.9Very low127 Ų127135.8 Ų135.883%0.82578%0.776SS**PPolyproline II helixtrans-70.5145.8174.730.7-34.9000111.4
86A31.9Very low34.3Very low99 Ų99136.5 Ų136.582%0.81877%0.773SS**  trans-107.6131.817200000110
87D37Very low34.8Very low161 Ų161136.8 Ų136.886%0.86177%0.77SS**  trans-125139.4168.2-91.3-37.4000109.9
88D34Very low35.3Very low151 Ų151135.5 Ų135.581%0.80776%0.759SS**  trans-16.5127.5174.4-63.1-31.2000117.5
89S34Very low35.7Very low111 Ų111138.3 Ų138.378%0.77676%0.757SS**  173.2153.668.841.90000113
90A34.1Very low36.1Very low95 Ų95139.7 Ų139.779%0.78576%0.756SS**  trans52.1137.7151.600000121.4
91S34.2Very low36.3Very low88 Ų88133.8 Ų133.862%0.61574%0.741SS**  cis-179.3152.3-5.351.50000111.7
92W36Very low36.4Very low238 Ų238133.8 Ų133.890%0.90274%0.741SS**  trans64.7148.8167.6-49.499.9000117.8
93S36.5Very low36.6Very low76 Ų76127.1 Ų127.153%0.53173%0.731SS.*  cis-178.6151.8-26.755.20000110.6
94N37.3Very low36.9Very low150 Ų150124.7 Ų124.780%0.80273%0.729SS**  trans71.1149156.3-57.6-9.8000117.2
95V38.8Very low36.6Very low107 Ų107124.7 Ų124.765%0.64873%0.732SS**  cis-157.3159.2-2.8114.90000111
96D40.2Very low36.4Very low134 Ų134125.4 Ų125.472%0.71773%0.729SS**  trans-8.9160154.9-19.4-42000119
97D41Very low36.5Very low135 Ų135127.9 Ų127.972%0.72273%0.727SS**  cis-165.4-171.110.1-141.6-11.5000107.7
98N39.4Very low36.4Very low103 Ų103128.4 Ų128.455%0.55173%0.727SS**  cis-163.5174.97.6-139.1-33.5000114.8
99Q40.9Very low36.3Very low150 Ų150128.4 Ų128.470%0.70173%0.725SS**  trans-12.8163.5147.9-75.4167.464.300121.6
100N37.9Very low36.6Very low136 Ų136128.9 Ų128.973%0.72773%0.726SS**  cis-159.2179.56.1-131.1-34.7000116.2
101A36.8Very low36.7Very low72 Ų72131.5 Ų131.560%0.59573%0.727SS**  trans-59.1-176.5172.500000116.9
102Q36.2Very low36.9Very low177 Ų177132.6 Ų132.683%0.82773%0.734SS**  cis-168.9163.815-146161.225.700114.1
103S34.3Very low37.1Very low101 Ų101128.4 Ų128.471%0.70673%0.729SS**  trans74.9124.1141.766.50000125.4
104S34.1Very low37.3Very low107 Ų107136.4 Ų136.475%0.74875%0.75SS**  85.1104.6125.8-63.40000125.2
105S34.3Very low37.3Very low100 Ų100133.5 Ų133.570%0.69975%0.747SS**  88.2146.6122.276.40000123.3
106N36Very low37Very low142 Ų142133.2 Ų133.276%0.75976%0.755SS**  trans83.899.1152.9-63-27.1000122.7
107L32.8Very low36.8Very low151 Ų151131 Ų13179%0.79176%0.756SS**  82.4144.2115.7-13779.4000122.4
108M35.5Very low36.6Very low173 Ų173130.2 Ų130.285%0.85276%0.758SS**  trans83.1147.5162.1-71.7-178.1171.200120.4
109I32.9Very low36.5Very low150 Ų150134.5 Ų134.577%0.76977%0.772SS**  trans-122.2157.9-170.3-53.8160.8000108.1
110P39.6Very low36.2Very low122 Ų122133.5 Ų133.579%0.79277%0.771SS**  trans-136.1163.1133.438.1-27.8000114.6
111D35.3Very low35.9Very low150 Ų150133.8 Ų133.880%0.80277%0.772SS**  trans-90.6155.3-167.7-40.2-96.1000116.1
112S39.6Very low35.8Very low110 Ų110138.5 Ų138.577%0.76979%0.786SS**  trans-174.7104.7138.259.20000110.5
113N39.9Very low35.5Very low151 Ų151138.3 Ų138.381%0.80779%0.785SS**  79.7108.682-82.4-25.2000116.5
114Y39.9Very low35.8Very low244 Ų244139 Ų13996%0.95779%0.787SS**  trans-146.9145.2131.9-107.6-82.1000109.1
115A37Very low35.8Very low89 Ų89137.7 Ų137.774%0.73679%0.791SS**  trans-77.4149.1-168.400000113.5
116A33.6Very low35.8Very low101 Ų101140.9 Ų140.984%0.83580%0.799SS**  69.4144.953.100000113.6
117A35.5Very low35.9Very low88 Ų88140 Ų14073%0.72780%0.801SS**  cis-155.1168.818.100000114.1
118P36.4Very low36Very low118 Ų118136 Ų13677%0.76680%0.796SS**  trans-107.1155.3165.638.6-30.8000114
119F37.4Very low36Very low193 Ų193132.7 Ų132.785%0.84679%0.79SS**  trans-152.7129.7162.4-99.5-95.1000106.2
120D34.6Very low36.1Very low128 Ų128131.6 Ų131.668%0.68479%0.79SS**  86.7103.753.9-93.8-14.3000116
121I32.4Very low36Very low143 Ų143132.5 Ų132.573%0.73379%0.788SS**  trans53.4117.6138.7-53.9166.7000119.5
122L34.7Very low35.9Very low171 Ų171130.4 Ų130.490%0.89579%0.786SS**  -172.1130127.8-103.5165000113.6
123E30.5Very low35.6Very low172 Ų172128.6 Ų128.680%0.80478%0.784SS**  trans-108.6-175.8164.8-126.4-161.8-178.700108.3
124P39.9Very low35.2Very low116 Ų116128 Ų12875%0.75379%0.786SS**  cis-131.3-173.5-17.938.3-20.4000113.4
125G35.1Very low34.9Very low80 Ų80123.5 Ų123.583%0.82578%0.778SS**  trans165.395.8162.800000120
126L33.6Very low35Very low167 Ų167123.6 Ų123.687%0.87477%0.771SS**  trans-85.4175.1156.9-88163.8000110.1
127P38.7Very low34.8Very low122 Ų122126 Ų12679%0.79277%0.769SS**  cis-149.2176.524.544.3-24.2000119.7
128G34.9Very low34.5Very low68 Ų68128.2 Ų128.270%0.70177%0.769SS**  trans92.1159.6145.700000118.6
129S34.1Very low34.2Very low103 Ų103129.8 Ų129.872%0.7277%0.766SS**  cis-172.3148.3-8.856.50000112.7
130V35.4Very low34Very low128 Ų128126.6 Ų126.678%0.77676%0.756SS**  trans59.3154.6163.7-79.20000118.8
131D36.8Very low33.9Very low140 Ų140128.6 Ų128.675%0.74976%0.762SS**  cis-148.1178.48.5-134.9-35.8000115.4
132S34Very low34.1Very low107 Ų107126.6 Ų126.675%0.74876%0.758SS**  trans-22.7156.7169.463.80000121.2
133G33.7Very low34Very low71 Ų71122.6 Ų122.673%0.73275%0.749SS**  cis151157.1-6.700000116.3
134V31.5Very low34.1Very low140 Ų140120.3 Ų120.385%0.84874%0.743SS**  trans65.992148.3-167.50000121.5
135N32.6Very low33.8Very low148 Ų148124.8 Ų124.879%0.79175%0.746SS**  75.4178.6116.1-126.423.9000120.3
136P39.5Very low33.5Very low91 Ų91130.9 Ų130.959%0.59175%0.746SS**  -134.4-159.2-107.244-23.7000115.7
137L29.1Very low33.4Very low152 Ų152130.3 Ų130.380%0.79674%0.743SS**  trans74.3150.6-179.8-51.9164.6000112.9
138D30.1Very low33Very low135 Ų135130.5 Ų130.572%0.72274%0.742SS**  cis-151-160.9-6.8-128.4-42.8000107.3
139E30.5Very low32.6Very low150 Ų150132.5 Ų132.570%0.70175%0.745SS**  cis-161.5158.98.2-137.8-176.1160.900109
140I31.3Very low32.3Very low126 Ų126133.3 Ų133.365%0.64675%0.748SS**  trans55119.4149.1-72161.3000120.5
141E32.6Very low31.9Very low171 Ų171138.4 Ų138.480%0.79975%0.753SS**  72.9158.266.1-90-144.4147.700116.8
142P37.6Very low31.4Very low100 Ų100140 Ų14065%0.64975%0.753SS**  cis-140.7-151.4-32.340-20.3000113.3
143A33Very low31.2Very low87 Ų87143.8 Ų143.872%0.71976%0.76SS**  trans85.2144.4164.900000117.2
144D32.6Very low30.8Very low125 Ų125147.1 Ų147.167%0.66876%0.756SS**  cis-160.3179.70.5-144.3-23.8000113
145Y33.7Very low30.9Very low210 Ų210146 Ų14682%0.82476%0.755SS**  trans89.6108.9166.7-70.1-75.8000121.9
146Y29.1Very low30.8Very low207 Ų207147 Ų14781%0.81276%0.759SS**  trans-71.4157164-65-116.3000112.8
147L30.9Very low30.6Very low155 Ų155148 Ų14881%0.81276%0.757SS**  176.4134.5106.8-93.2166000116
148T29Very low30.9Very low127 Ų127146.1 Ų146.178%0.77975%0.748SS**  trans57.9119.8153.147.60000121.3
149S26.5Very low31.3Very low110 Ų110145.3 Ų145.377%0.76974%0.738SS**PPolyproline II helixtrans-82.3153.6163.492.90000112.7
150P29.7Very low31.6Very low120 Ų120145.2 Ų145.278%0.77974%0.735SS**PPolyproline II helixtrans-72.7165.9152.4-8.226000110.9
151R26.6Very low32.1Very low235 Ų235143.3 Ų143.389%0.88773%0.726SS**PPolyproline II helixtrans-87.1164.3178.6-73.7175.8169.1147.9-4.6112.1E153R151-E153 PolarHBondContact O-N 3.16Å
152K26.7Very low32.5Very low172 Ų172140.6 Ų140.675%0.74871%0.712SS**PPolyproline II helixtrans-46.7124.1151.9-72.1178.2155.9-155.40110E154K152-E154 WeakPolarHBondContact CD-OE1 3.36Å; K152-E154 IonicContact NZ-OE1 2.92Å; K152-E154 PolarHBondContact NZ-OE1 2.74Å
153E27.9Very low32.5Very low188 Ų188142 Ų14288%0.87971%0.71SS**  trans-107.6107.6148.7-71.5-165.713600107.2R151 S155R151-E153 PolarHBondContact O-N 3.16Å; E153-S155 PolarHBondContact O-N 3.3Å
154E27.3Very low33Very low140 Ų140146.8 Ų146.865%0.65472%0.717SS**  trans-78.4105.4172-73.9164.3177.300107K152 L156K152-E154 WeakPolarHBondContact CD-OE1 3.36Å; K152-E154 IonicContact NZ-OE1 2.92Å; K152-E154 PolarHBondContact NZ-OE1 2.74Å; E154-L156 PolarHBondContact O-N 2.88Å
155S32.3Very low33.3Very low118 Ų118145.6 Ų145.683%0.82571%0.71SS**  trans-68.691.8179.342.30000110.5E153 M157E153-S155 PolarHBondContact O-N 3.3Å; S155-M157 VanDerWaalsContact C-N 3.31Å; S155-M157 PolarHBondContact O-N 2.81Å
156L30.8Very low33.2Very low168 Ų168138 Ų13888%0.8870%0.696SS**  trans-57.493.2167.6-88.1155000109.5E154 N158E154-L156 PolarHBondContact O-N 2.88Å; L156-N158 PolarHBondContact O-N 2.95Å
157M34.4Very low33.3Very low113 Ų113134.9 Ų134.956%0.55769%0.692SS**  trans-62129.2-177-157.81568200109.5S155 F162S155-M157 VanDerWaalsContact C-N 3.31Å; S155-M157 PolarHBondContact O-N 2.81Å; M157-F162 HydrophobicContact CE-CE2 3.44Å; M157-F162 VanDerWaalsContact CE-CE2 3.44Å; M157-F162 HydrophobicContact CE-CZ 3.66Å
158N36.3Very low33.6Very low112 Ų112133 Ų13360%0.59968%0.682SS**  trans-87136.7-161.5-143.8-20.4000109.8L156 K160 D161L156-N158 PolarHBondContact O-N 2.95Å; N158-K160 PolarHBondContact O-N 3.28Å; N158-D161 PolarHBondContact N-OD2 3.1Å; N158-D161 WeakPolarHBondContact O-CB 3.28Å; N158-D161 VanDerWaalsContact O-CG 3.28Å; N158-D161 PolarHBondContact O-N 3.4Å
159K37.9Very low33.9Very low118 Ų118133.5 Ų133.551%0.51368%0.679SS.*G310 helixtrans-63.8-15.7-165.8-163.8157.1-175.5162.40114.8E452K159-E452 WeakPolarHBondContact CE-OE1 3.46Å; K159-E452 IonicContact NZ-OE1 3.06Å; K159-E452 PolarHBondContact NZ-OE1 2.97Å; K159-E452 IonicContact NZ-OE2 2.92Å; K159-E452 PolarHBondContact NZ-OE2 2.69Å
160K37.4Very low34.1Very low148 Ų148137.3 Ų137.364%0.64369%0.685SS**G310 helixtrans-70.3-28.5174.3-69.9-171.2167.6-166.30114N158 F162 E163N158-K160 PolarHBondContact O-N 3.28Å; K160-F162 PolarHBondContact O-N 3.28Å; K160-E163 PolarHBondContact O-N 3.26Å
161D41.6Very low34.2Very low86 Ų86134.8 Ų134.846%0.4668%0.68SS.*G310 helixtrans-72.2-7.6-170.1-47.9-22.8000112.1N158N158-D161 PolarHBondContact N-OD2 3.1Å; N158-D161 WeakPolarHBondContact O-CB 3.28Å; N158-D161 VanDerWaalsContact O-CG 3.28Å; N158-D161 PolarHBondContact O-N 3.4Å
162F40.9Very low34.4Very low114 Ų114129.4 Ų129.450%0.567%0.674SS.*G310 helixtrans-100-21.2169.8-79.9-74.4000114.2M157 K160 I165M157-F162 HydrophobicContact CE-CE2 3.44Å; M157-F162 VanDerWaalsContact CE-CE2 3.44Å; M157-F162 HydrophobicContact CE-CZ 3.66Å; K160-F162 PolarHBondContact O-N 3.28Å; F162-I165 PolarHBondContact O-N 3.49Å
163E38.9Very low34.6Very low128 Ų128123.7 Ų123.760%0.59866%0.664SS**G310 helixtrans-74.4-26.6-174.4-68-177.7145.100112.2K160 I165K160-E163 PolarHBondContact O-N 3.26Å; E163-I165 VanDerWaalsContact C-N 3.31Å; E163-I165 PolarHBondContact O-N 2.82Å
164E41.7Very low34.9Very low188 Ų188122.5 Ų122.588%0.87966%0.658SS**G310 helixtrans-79.4-3.8177.2-67.8-168.9144.700114.6
165I39.8Very low35.3Very low100 Ų100123.9 Ų123.951%0.51366%0.662SS.*G310 helixtrans-104.9-8.2-175.7-62.3177.8000112.4F162 E163 W616F162-I165 PolarHBondContact O-N 3.49Å; E163-I165 VanDerWaalsContact C-N 3.31Å; E163-I165 PolarHBondContact O-N 2.82Å; I165-W616 HydrophobicContact CD1-CZ2 4.46Å
166G31.4Very low35.2Very low52 Ų52125.4 Ų125.454%0.53666%0.656SS.*SBendtrans-130.2-2-158.500000119.8
167I32.1Very low35.3Very low141 Ų141124.9 Ų124.972%0.72365%0.649SS**  trans-141.8102.8174.3-50.2178.6000111.2
168I36Very low35Very low116 Ų116129.4 Ų129.460%0.59567%0.666SS**  trans-111.4102.6155.6-62.6-180000106.5
169D35Very low34.9Very low137 Ų137131.1 Ų131.173%0.73367%0.673SS**  trans-71.4158.7170.8-162.20.8000110G171D169-G171 VanDerWaalsContact C-N 3.3Å; D169-G171 PolarHBondContact O-N 2.67Å
170Q30.7Very low34.3Very low190 Ų190134.3 Ų134.389%0.88869%0.69SS**SBendtrans-74.877.6-172.4-68.1-174.8-18.600111.9
171G31.6Very low34.1Very low66 Ų66133 Ų13368%0.6869%0.694SS**  trans-148.2110-176.400000114D169D169-G171 VanDerWaalsContact C-N 3.3Å; D169-G171 PolarHBondContact O-N 2.67Å
172T31.7Very low33.4Very low122 Ų122140.3 Ų140.375%0.74872%0.715SS**  trans-45.9138174.152.60000114.8Q17Q17-T172 PolarHBondContact NE2-O 2.93Å
173G31.6Very low33Very low53 Ų53142.8 Ų142.855%0.54673%0.733SS.*  trans149.2115.5156.500000117.6
174H32.7Very low32.7Very low162 Ų162140.6 Ų140.675%0.7573%0.73SS**  trans-57141.5176-78.9-57.7000115
175K36.7Very low32Very low169 Ų169139.6 Ų139.674%0.73573%0.73SS**  trans-138.2127.4143-71-176.2-178.5162.30110.3
176E29.6Very low31.6Very low150 Ų150143.3 Ų143.370%0.70174%0.743SS**  trans-77.6121.9174.1-63.9-175.7151.900110.1R599E176-R599 IonicContact OE1-CZ 2.72Å; E176-R599 IonicContact OE1-NH1 2.82Å; E176-R599 IonicContact OE1-NH2 2.81Å; E176-R599 PolarHBondContact OE1-NH2 3.37Å
177H33.6Very low31.6Very low157 Ų157149.4 Ų149.473%0.72776%0.758SS**  trans-108.6114.1173.6-91.1-111000111.1I179H177-I179 PolarHBondContact O-N 2.78Å
178K27.4Very low31.4Very low209 Ų209150.9 Ų150.991%0.90977%0.766SS**  trans-96.691.3-173.3-171.6174.1-172.9168.90110.7
179I34.9Very low31.2Very low148 Ų148151.1 Ų151.176%0.75978%0.775SS**PPolyproline II helixtrans-98.3137.6-178.2-59.7-179.9000110.3H177H177-I179 PolarHBondContact O-N 2.78Å
180Q26.1Very low30.9Very low185 Ų185151 Ų15186%0.86478%0.779SS**PPolyproline II helixtrans-96.6117.1175.7-65-178.9-66.800110.2
181T31.6Very low31Very low119 Ų119150.4 Ų150.473%0.7378%0.777SS**PPolyproline II helixtrans-68.2135.6167.237.10000110.8I615T181-I615 HydrophobicContact CG2-CD1 4.37Å
182R28.5Very low31.1Very low241 Ų241152.4 Ų152.491%0.90978%0.781SS**PPolyproline II helixtrans-100.9135.7162.7-71.7-173.2178.5-166.71.6108.2
183L31.8Very low31.3Very low165 Ų165151.3 Ų151.386%0.86478%0.775SS**PPolyproline II helixtrans-93.4148.2165.4-71.4162.1000109.2
184P31.4Very low31.4Very low82 Ų82160.2 Ų160.253%0.53279%0.793SS.*PPolyproline II helixtrans-76.5158.716932.3-32.7000111.7E618P184-E618 WeakPolarHBondContact CG-OE1 3.35Å
185D28.2Very low31.3Very low167 Ų167163.5 Ų163.589%0.89380%0.8SS**PPolyproline II helixtrans-83.2122.3177.4-69.4-60000111.3
186F31Very low31.1Very low179 Ų179162.3 Ų162.379%0.78580%0.802SS**PPolyproline II helixtrans-92.2136.4175.6-128.6-93000111.5
187Q30.8Very low31.1Very low180 Ų180160.6 Ų160.684%0.84181%0.807SS**PPolyproline II helixtrans-95.6142.6174.9-69-172.6-16.800111.4
188L28.1Very low31Very low172 Ų172162.6 Ų162.690%0.90182%0.816SS**PPolyproline II helixtrans-94.6128.4-177-76.2146.9000112.2
189P31.6Very low31Very low120 Ų120157.8 Ų157.878%0.77981%0.809SS**PPolyproline II helixtrans-80.3169.6154.1-13.731.5000112.2
190T30.4Very low30.8Very low134 Ų134157.6 Ų157.682%0.82281%0.814SS**PPolyproline II helixtrans-95.5168.2-163.9-14.50000115.4
191E31.3Very low30.9Very low178 Ų178157.4 Ų157.483%0.83281%0.813SS**  trans-40.1153.5173.5-52.6168.1151.100114.3
192S34.3Very low30.6Very low109 Ų109159.3 Ų159.376%0.76282%0.818SS**  178.3-168.364.468.50000111.3
193P36.4Very low30.6Very low99 Ų99158 Ų15864%0.64382%0.819SS**  -142.2133.8-114.436.5-12.6000118.3
194W33.4Very low30.3Very low239 Ų239160.9 Ų160.991%0.90582%0.819SS**  trans-146128.9161.6-69.4102.6000113.3
195Y29.9Very low30.3Very low231 Ų231165 Ų16591%0.90684%0.836SS**  trans-160.4118.1157.4-138.5-82000108.6
196D33.1Very low30.3Very low144 Ų144162.3 Ų162.377%0.7783%0.827SS**  trans-89.5155.5170.1-89.8-52.9000110.6
197S30.2Very low30.4Very low115 Ų115159 Ų15980%0.80483%0.833SS**  trans-104.8146.7-171.361.20000113.1
198E31.5Very low30.3Very low199 Ų199157.9 Ų157.993%0.9383%0.833SS**  trans-142.9163154.7-131.9175.5-145.900111.5
199S27.4Very low30.6Very low107 Ų107157.5 Ų157.575%0.74883%0.83SS**  trans-109.9147.4-144.465.30000116.3
200V29.1Very low30.4Very low145 Ų145162.6 Ų162.688%0.87983%0.834SS**  trans-127.4145.7165.8-1760000109.7
201Q28.6Very low30.5Very low181 Ų181162 Ų16285%0.84683%0.832SS**PPolyproline II helixtrans-94137.7-161.8-60.3178.50.800114.1
202L25.9Very low30.5Very low158 Ų158159.1 Ų159.183%0.82783%0.829SS**PPolyproline II helixtrans-75.5134.2173.7-83.784.3000113
203F27.4Very low30.4Very low213 Ų213158.4 Ų158.493%0.93482%0.824SS**PPolyproline II helixtrans-87.7132.8155.9-103.7-98.6000110.5
204R27.4Very low30.2Very low227 Ų227160.1 Ų160.186%0.85782%0.821SS**PPolyproline II helixtrans-103.5139.6173.4-72.6-176177175-0.2111.5
205L30.7Very low30.1Very low169 Ų169152.3 Ų152.389%0.88581%0.807SS**PPolyproline II helixtrans-95.8154.9164.8-77.2169.8000111.3
206P28.7Very low30.2Very low110 Ų110149 Ų14971%0.71480%0.8SS**PPolyproline II helixtrans-81.8142.6-163.630.9-35.7000114.7N208P206-N208 VanDerWaalsContact C-N 3.32Å; P206-N208 PolarHBondContact O-N 2.65Å
207A31.9Very low30.3Very low110 Ų110147.2 Ų147.291%0.90978%0.782SS**SBendtrans-8056.1-169.800000114.9
208N30.1Very low30.7Very low156 Ų156148.7 Ų148.783%0.83478%0.78SS**  trans-146.254-175.1-136.4-9.7000115.4P206P206-N208 VanDerWaalsContact C-N 3.32Å; P206-N208 PolarHBondContact O-N 2.65Å
209I32.8Very low31.2Very low163 Ų163143.3 Ų143.384%0.83676%0.764SS**  trans-125128166.6-58.1179.5000108.2
210R28.4Very low32.3Very low228 Ų228142 Ų14286%0.8675%0.749SS**PPolyproline II helixtrans-79.6140.7173-64.9-177.7-177.1-179.91.1109.3
211P31.6Very low34.1Very low121 Ų121138.5 Ų138.579%0.78673%0.725SS**PPolyproline II helixtrans-61.8133.6175.226.2-33.8000110.4
212P31.2Very low36.3Very low118 Ų118132.1 Ų132.177%0.76669%0.693SS**PPolyproline II helixtrans-68.6155.9174.829.5-34.4000110.9
213S32.5Very low39Very low94 Ų94124.6 Ų124.666%0.65765%0.654SS**PPolyproline II helixtrans-71.4154179.951.10000112.5A215S213-A215 PolarHBondContact O-N 2.69Å
214F33.3Very low41.8Very low135 Ų135114.5 Ų114.559%0.59261%0.61SS**G310 helixtrans-59.7-2.2-172.1-148.4-97.4000116W217F214-W217 HydrophobicContact CD2-CZ2 4.04Å; F214-W217 HydrophobicContact CE1-CE3 4.4Å; F214-W217 HydrophobicContact CE1-CH2 4.27Å; F214-W217 HydrophobicContact CE1-CZ2 4.43Å; F214-W217 HydrophobicContact CE1-CZ3 4.25Å; F214-W217 AromaticContact CE2-CH2 3.7Å; F214-W217 HydrophobicContact CE2-CH2 3.7Å; F214-W217 AromaticContact CE2-CZ2 3.58Å; F214-W217 HydrophobicContact CE2-CZ2 3.58Å; F214-W217 HydrophobicContact CE2-CZ3 4.46Å; F214-W217 HydrophobicContact CZ-CE3 4.42Å; F214-W217 AromaticContact CZ-CH2 3.52Å; F214-W217 HydrophobicContact CZ-CH2 3.52Å; F214-W217 AromaticContact CZ-CZ2 3.8Å; F214-W217 HydrophobicContact CZ-CZ2 3.8Å; F214-W217 AromaticContact CZ-CZ3 3.86Å; F214-W217 HydrophobicContact CZ-CZ3 3.86Å
215A30.2Very low44.4Very low74 Ų74103.7 Ų103.761%0.61257%0.569SS**G310 helixtrans-84.6-6.8-168.400000115.4S213S213-A215 PolarHBondContact O-N 2.69Å
216H32.8Very low46.8Very low163 Ų16399.2 Ų99.276%0.75554%0.54SS*.G310 helixtrans-91.92.4-171.1-111.6-75.7000115.7I218H216-I218 PolarHBondContact O-N 3.3Å
217W35.1Very low49.2Very low105 Ų10594.1 Ų94.140%0.39851%0.507SS..THydrogen-bonded Turntrans-75.517.9-167-69.322.2000116.1F214F214-W217 HydrophobicContact CD2-CZ2 4.04Å; F214-W217 HydrophobicContact CE1-CE3 4.4Å; F214-W217 HydrophobicContact CE1-CH2 4.27Å; F214-W217 HydrophobicContact CE1-CZ2 4.43Å; F214-W217 HydrophobicContact CE1-CZ3 4.25Å; F214-W217 AromaticContact CE2-CH2 3.7Å; F214-W217 HydrophobicContact CE2-CH2 3.7Å; F214-W217 AromaticContact CE2-CZ2 3.58Å; F214-W217 HydrophobicContact CE2-CZ2 3.58Å; F214-W217 HydrophobicContact CE2-CZ3 4.46Å; F214-W217 HydrophobicContact CZ-CE3 4.42Å; F214-W217 AromaticContact CZ-CH2 3.52Å; F214-W217 HydrophobicContact CZ-CH2 3.52Å; F214-W217 AromaticContact CZ-CZ2 3.8Å; F214-W217 HydrophobicContact CZ-CZ2 3.8Å; F214-W217 AromaticContact CZ-CZ3 3.86Å; F214-W217 HydrophobicContact CZ-CZ3 3.86Å
218I37.4Very low51.1Low147 Ų14792 Ų9275%0.75448%0.48SS*.THydrogen-bonded Turntrans-95-22-157.4-63.5177.9000114.7H216H216-I218 PolarHBondContact O-N 3.3Å
219S43.1Very low53.1Low86 Ų8691.2 Ų91.260%0.60147%0.466SS*.SBendtrans-107.7-26-16659.30000117.7
220N50.6Low54.8Low78 Ų7886.4 Ų86.442%0.41745%0.446SS..  trans-118.2137.4-162.1-58.42.9000111.9R222 E269N220-R222 PolarHBondContact O-N 3.2Å; N220-E269 PolarHBondContact ND2-OE1 3.17Å
221D65.8Low56.5Low73 Ų7376.3 Ų76.339%0.3941%0.409SS..PPolyproline II helixtrans-77.3116.5179.9-71.7-44.7000110.9A294 V322 K324D221-A294 HydrophobicContact CB-CB 4.34Å; D221-V322 HydrophobicContact CB-CG1 4.07Å; D221-K324 WeakPolarHBondContact OD1-CD 3.27Å; D221-K324 WeakPolarHBondContact OD1-CG 3.1Å; D221-K324 IonicContact OD1-NZ 2.63Å; D221-K324 PolarHBondContact OD1-NZ 3.14Å; D221-K324 IonicContact OD2-NZ 3.76Å; D221-K324 PolarHBondContact OD2-NZ 3.29Å; D221-K324 VanDerWaalsContact OD2-NZ 3.09Å
222R76.4Confident58.1Low47 Ų4775.5 Ų75.518%0.17741%0.406CS..EExtended strand (participates in β ladder)trans-99.7144.3179.8-65.6175.168.1880.8110.6N220 N258 S267 F268 V322 A323N220-R222 PolarHBondContact O-N 3.2Å; R222-N258 PolarHBondContact NH1-O 3.14Å; R222-N258 PolarHBondContact NH2-O 3.23Å; R222-S267 PolarHBondContact NH2-O 3.43Å; R222-S267 VanDerWaalsContact NH2-O 3.13Å; R222-S267 PolarHBondContact NH2-OG 3.22Å; R222-F268 CarbonylContact C-O 3.57Å; R222-F268 WeakPolarHBondContact CA-O 3.27Å; R222-V322 CarbonylContact O-C 3.6Å; R222-V322 WeakPolarHBondContact O-CA 3.28Å; R222-A323 PolarHBondContact N-O 2.7Å; R222-A323 PolarHBondContact O-N 3.02Å
223V82.4Confident60Low0 Ų073 Ų730%039%0.387CS..EExtended strand (participates in β ladder)trans-81.1138.5164178.70000108.1I225 S267 F268 V270 A294 V297 A298V223-I225 HydrophobicContact CG1-CG1 4.35Å; V223-S267 WeakPolarHBondContact O-CA 3.33Å; V223-S267 WeakPolarHBondContact O-CB 3.36Å; V223-F268 HydrophobicContact CB-CD2 4.1Å; V223-F268 HydrophobicContact CB-CE1 4.39Å; V223-F268 HydrophobicContact CB-CE2 3.68Å; V223-F268 HydrophobicContact CB-CZ 3.85Å; V223-F268 HydrophobicContact CG1-CE1 4.18Å; V223-F268 HydrophobicContact CG1-CE2 4.03Å; V223-F268 HydrophobicContact CG1-CZ 3.68Å; V223-F268 HydrophobicContact CG2-CE2 3.96Å; V223-F268 HydrophobicContact CG2-CZ 4.43Å; V223-F268 PolarHBondContact N-O 3.06Å; V223-F268 PolarHBondContact O-N 3.45Å; V223-V270 HydrophobicContact CG2-CG2 3.77Å; V223-A294 HydrophobicContact CG2-CB 3.91Å; V223-A294 WeakPolarHBondContact CG2-O 3.34Å; V223-V297 HydrophobicContact CG2-CB 4.18Å; V223-V297 HydrophobicContact CG2-CG1 4.14Å; V223-A298 HydrophobicContact CG1-CB 4.13Å
224Y85.5Confident61.9Low1 Ų173.4 Ų73.40%0.00439%0.387CS..EExtended strand (participates in β ladder)trans-124.3146.7168.180.3-87.4000111.8E265 L266 E319 T320 G321 A323 R328 P330Y224-E265 HydrophobicContact CD2-CG 4.47Å; Y224-L266 WeakPolarHBondContact CA-O 3.5Å; Y224-E319 HydrophobicContact CE2-CG 4.23Å; Y224-E319 VanDerWaalsContact CE2-OE1 3.28Å; Y224-E319 WeakPolarHBondContact CE2-OE1 3.41Å; Y224-E319 PolarHBondContact OH-OE1 2.84Å; Y224-T320 WeakPolarHBondContact O-CA 3.45Å; Y224-G321 WeakPolarHBondContact CD1-O 3.22Å; Y224-G321 VanDerWaalsContact CE1-CA 3.42Å; Y224-G321 PolarHBondContact N-O 2.71Å; Y224-G321 PolarHBondContact O-N 3.48Å; Y224-A323 HydrophobicContact CD1-CB 3.86Å; Y224-R328 HydrophobicContact CE1-CB 3.9Å; Y224-R328 HydrophobicContact CE1-CG 4.3Å; Y224-P330 WeakPolarHBondContact OH-CA 3.4Å
225I83Confident63.8Low0 Ų073.9 Ų73.90%039%0.391CS..EExtended strand (participates in β ladder)trans-134.6122.4-178.6-55.7174.6000108V223 F227 F240 L244 E265 L266 F268 T301 I317 T320V223-I225 HydrophobicContact CG1-CG1 4.35Å; I225-F227 HydrophobicContact CB-CE2 3.97Å; I225-F227 HydrophobicContact CB-CZ 4.36Å; I225-F227 HydrophobicContact CG2-CD2 4.17Å; I225-F227 HydrophobicContact CG2-CE1 4.28Å; I225-F227 HydrophobicContact CG2-CE2 3.46Å; I225-F227 VanDerWaalsContact CG2-CE2 3.46Å; I225-F227 HydrophobicContact CG2-CZ 3.53Å; I225-F240 HydrophobicContact CD1-CE1 3.78Å; I225-F240 HydrophobicContact CD1-CZ 4.02Å; I225-L244 HydrophobicContact CD1-CD1 4.36Å; I225-E265 WeakPolarHBondContact O-CA 3.49Å; I225-L266 HydrophobicContact CD1-CD2 4.45Å; I225-L266 PolarHBondContact N-O 3.08Å; I225-L266 PolarHBondContact O-N 3.44Å; I225-F268 HydrophobicContact CD1-CE1 3.7Å; I225-F268 HydrophobicContact CD1-CZ 4.26Å; I225-F268 HydrophobicContact CG1-CE1 4.43Å; I225-T301 HydrophobicContact CD1-CG2 3.52Å; I225-T301 HydrophobicContact CG1-CG2 4.39Å; I225-I317 HydrophobicContact CG2-CB 4.47Å; I225-I317 HydrophobicContact CG2-CD1 3.46Å; I225-I317 VanDerWaalsContact CG2-CD1 3.46Å; I225-I317 HydrophobicContact CG2-CG1 3.59Å; I225-I317 HydrophobicContact CG2-CG2 4.12Å; I225-T320 HydrophobicContact CG1-CG2 4.15Å; I225-T320 HydrophobicContact CG2-CG2 4.25Å
226R79.3Confident65.8Low74 Ų7472.9 Ų72.928%0.27938%0.375SS..EExtended strand (participates in β ladder)trans-109.2125.1-176.2-178.9177.8-69.6169.7-11.2110.7E265 I317 I318 E319R226-E265 IonicContact CZ-OE2 2.74Å; R226-E265 IonicContact NE-OE2 3.71Å; R226-E265 PolarHBondContact NE-OE2 2.91Å; R226-E265 IonicContact NH2-OE2 3.52Å; R226-E265 PolarHBondContact NH2-OE2 3.09Å; R226-I317 WeakPolarHBondContact O-CA 3.21Å; R226-I318 PolarHBondContact O-N 2.96Å; R226-E319 HydrophobicContact CB-CB 4.24Å; R226-E319 IonicContact CZ-OE1 2.88Å; R226-E319 IonicContact CZ-OE2 3.95Å; R226-E319 PolarHBondContact N-O 2.92Å; R226-E319 IonicContact NE-OE2 2.92Å; R226-E319 VanDerWaalsContact NH1-CD 3.27Å; R226-E319 IonicContact NH1-OE1 3.3Å; R226-E319 PolarHBondContact NH1-OE1 3.19Å; R226-E319 VanDerWaalsContact NH1-OE1 3.14Å; R226-E319 IonicContact NH1-OE2 3.39Å; R226-E319 PolarHBondContact NH1-OE2 2.71Å
227F79.2Confident67.7Low4 Ų466 Ų662%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-105.3156.7-175.8-62.2-96.8000112.1I225 R229 L231 F240 N264 L266 M305 A315 R316 I317I225-F227 HydrophobicContact CB-CE2 3.97Å; I225-F227 HydrophobicContact CB-CZ 4.36Å; I225-F227 HydrophobicContact CG2-CD2 4.17Å; I225-F227 HydrophobicContact CG2-CE1 4.28Å; I225-F227 HydrophobicContact CG2-CE2 3.46Å; I225-F227 VanDerWaalsContact CG2-CE2 3.46Å; I225-F227 HydrophobicContact CG2-CZ 3.53Å; F227-R229 PolarHBondContact O-N 3.3Å; F227-L231 HydrophobicContact CD1-CD1 4.33Å; F227-L231 HydrophobicContact CD2-CD1 3.51Å; F227-L231 HydrophobicContact CD2-CG 4.47Å; F227-L231 HydrophobicContact CE1-CD1 4.23Å; F227-L231 HydrophobicContact CE2-CD1 3.4Å; F227-L231 VanDerWaalsContact CE2-CD1 3.4Å; F227-L231 HydrophobicContact CG-CD1 3.99Å; F227-L231 HydrophobicContact CZ-CD1 3.78Å; F227-F240 HydrophobicContact CZ-CD1 4.43Å; F227-F240 HydrophobicContact CZ-CE1 4.07Å; F227-F240 HydrophobicContact CZ-CZ 4.31Å; F227-N264 PolarHBondContact N-O 2.8Å; F227-N264 PolarHBondContact O-ND2 2.96Å; F227-N264 VanDerWaalsContact O-ND2 3.14Å; F227-L266 HydrophobicContact CE2-CB 3.91Å; F227-M305 HydrophobicContact CE1-CE 4.09Å; F227-A315 HydrophobicContact CD1-CB 4.06Å; F227-R316 CarbonylContact C-O 3.51Å; F227-R316 WeakPolarHBondContact CA-O 3.22Å; F227-I317 HydrophobicContact CD1-CG1 3.99Å; F227-I317 HydrophobicContact CE1-CD1 4.36Å; F227-I317 HydrophobicContact CE1-CG1 3.67Å; F227-I317 HydrophobicContact CZ-CG1 4.17Å
228N73.2Confident69.7Low66 Ų6666 Ų6635%0.35335%0.349SS..SBendtrans-71.7-7.2176.874.4-24.2000114.7A315 R316 I318N228-A315 WeakPolarHBondContact OD1-CA 3.06Å; N228-R316 PolarHBondContact N-O 2.89Å; N228-R316 PolarHBondContact OD1-N 3.31Å; N228-I318 HydrophobicContact CB-CD1 3.93Å; N228-I318 HydrophobicContact CB-CG1 4.14Å
229R72Confident71.5Confident139 Ų13963.6 Ų63.653%0.52534%0.337SS..SBendtrans-143.5162.7178.4-66.2-172.9179.3175.73.7110.2F227 N314F227-R229 PolarHBondContact O-N 3.3Å; R229-N314 WeakPolarHBondContact CD-O 3.23Å; R229-N314 PolarHBondContact NH1-OD1 3.23Å
230S67.4Low73.1Confident61 Ų6159.8 Ų59.843%0.42731%0.31SS..  trans-66.8128.7173.5177.50000110.5S232 G263 N264S230-S232 VanDerWaalsContact C-N 3.3Å; S230-S232 PolarHBondContact O-N 3.15Å; S230-S232 VanDerWaalsContact O-N 3.09Å; S230-S232 PolarHBondContact OG-OG 3.39Å; S230-G263 WeakPolarHBondContact CA-O 3.49Å; S230-N264 WeakPolarHBondContact CA-OD1 3.47Å; S230-N264 PolarHBondContact N-OD1 3.02Å
231L65.5Low74.6Confident17 Ų1756.7 Ų56.79%0.08929%0.293CS..  trans-81.382.2168.4-86.6163.8000108.5F227 D233 M236 V237 V261 G263F227-L231 HydrophobicContact CD1-CD1 4.33Å; F227-L231 HydrophobicContact CD2-CD1 3.51Å; F227-L231 HydrophobicContact CD2-CG 4.47Å; F227-L231 HydrophobicContact CE1-CD1 4.23Å; F227-L231 HydrophobicContact CE2-CD1 3.4Å; F227-L231 VanDerWaalsContact CE2-CD1 3.4Å; F227-L231 HydrophobicContact CG-CD1 3.99Å; F227-L231 HydrophobicContact CZ-CD1 3.78Å; L231-D233 VanDerWaalsContact C-N 3.34Å; L231-M236 HydrophobicContact CD2-CB 4.4Å; L231-M236 HydrophobicContact CD2-CG 3.94Å; L231-M236 HydrophobicContact CD2-SD 3.75Å; L231-V237 HydrophobicContact CB-CG2 4.08Å; L231-V237 HydrophobicContact CD1-CG2 4.44Å; L231-V237 HydrophobicContact CD2-CG2 4.23Å; L231-V237 HydrophobicContact CG-CG2 4.49Å; L231-V261 HydrophobicContact CB-CG1 4.17Å; L231-G263 PolarHBondContact N-O 3.3Å
232S64.9Low75.2Confident103 Ų10356.5 Ų56.572%0.7229%0.292SS*.  trans-87-3.1-176.4-51.20000114S230S230-S232 VanDerWaalsContact C-N 3.3Å; S230-S232 PolarHBondContact O-N 3.15Å; S230-S232 VanDerWaalsContact O-N 3.09Å; S230-S232 PolarHBondContact OG-OG 3.39Å
233D71.5Confident75.3Confident67 Ų6756.9 Ų56.936%0.35830%0.295SS..  trans-118.1117.5-170.4177.50.2000110.3L231 E235 M236 V237L231-D233 VanDerWaalsContact C-N 3.34Å; D233-E235 VanDerWaalsContact C-N 3.34Å; D233-E235 PolarHBondContact O-N 2.63Å; D233-E235 PolarHBondContact OD1-N 3.42Å; D233-M236 HydrophobicContact CB-CB 4.03Å; D233-M236 PolarHBondContact O-N 2.74Å; D233-V237 WeakPolarHBondContact O-CG2 3.37Å; D233-V237 PolarHBondContact O-N 3.35Å
234P71.8Confident75.2Confident102 Ų10256.9 Ų56.966%0.66230%0.295SS*.Hα-helixtrans-69.7-26-179.429.6-35000113.7V237 Q238P234-V237 PolarHBondContact O-N 3.45Å; P234-Q238 PolarHBondContact O-N 2.85Å
235E72.8Confident74.8Confident144 Ų14459.4 Ų59.467%0.67331%0.31SS*.Hα-helixtrans-70.9-41.3177.1-66.7-172.4166.100110.4D233 V237 Q238 N239D233-E235 VanDerWaalsContact C-N 3.34Å; D233-E235 PolarHBondContact O-N 2.63Å; D233-E235 PolarHBondContact OD1-N 3.42Å; E235-V237 VanDerWaalsContact C-N 3.27Å; E235-V237 PolarHBondContact O-N 3.34Å; E235-Q238 PolarHBondContact O-N 3.19Å; E235-N239 WeakPolarHBondContact O-CB 3.49Å; E235-N239 PolarHBondContact O-N 3.17Å; E235-N239 PolarHBondContact O-ND2 3.4Å
236M71.4Confident74.6Confident54 Ų5465.1 Ų65.127%0.26634%0.34SS..Hα-helixtrans-61.6-34.7173.7-167.3177.7-57.800112.6L231 D233 F240 A312L231-M236 HydrophobicContact CD2-CB 4.4Å; L231-M236 HydrophobicContact CD2-CG 3.94Å; L231-M236 HydrophobicContact CD2-SD 3.75Å; D233-M236 HydrophobicContact CB-CB 4.03Å; D233-M236 PolarHBondContact O-N 2.74Å; M236-F240 WeakPolarHBondContact O-CB 3.37Å; M236-F240 PolarHBondContact O-N 2.98Å; M236-A312 HydrophobicContact CG-CB 4.44Å; M236-A312 HydrophobicContact SD-CB 4.13Å
237V73.8Confident74.4Confident19 Ų1963.3 Ų63.312%0.11534%0.341CS..Hα-helixtrans-70.4-44174.2173.90000111.2L231 D233 P234 E235 F240 M241 V261 L266L231-V237 HydrophobicContact CB-CG2 4.08Å; L231-V237 HydrophobicContact CD1-CG2 4.44Å; L231-V237 HydrophobicContact CD2-CG2 4.23Å; L231-V237 HydrophobicContact CG-CG2 4.49Å; D233-V237 WeakPolarHBondContact O-CG2 3.37Å; D233-V237 PolarHBondContact O-N 3.35Å; P234-V237 PolarHBondContact O-N 3.45Å; E235-V237 VanDerWaalsContact C-N 3.27Å; E235-V237 PolarHBondContact O-N 3.34Å; V237-F240 PolarHBondContact O-N 2.79Å; V237-M241 WeakPolarHBondContact O-CG 3.4Å; V237-M241 PolarHBondContact O-N 3.08Å; V237-V261 HydrophobicContact CG1-CG2 3.92Å; V237-V261 HydrophobicContact CG2-CG2 4Å; V237-L266 HydrophobicContact CG1-CD1 3.99Å
238Q76.7Confident74.4Confident105 Ų10563.3 Ų63.349%0.49134%0.341SS..Hα-helixtrans-62.7-51.1178.5-172.461.651.300111.3P234 E235 F240 M241 D242P234-Q238 PolarHBondContact O-N 2.85Å; E235-Q238 PolarHBondContact O-N 3.19Å; Q238-F240 PolarHBondContact O-N 2.91Å; Q238-F240 VanDerWaalsContact O-N 3.14Å; Q238-M241 PolarHBondContact O-N 2.96Å; Q238-D242 PolarHBondContact NE2-OD1 2.86Å; Q238-D242 PolarHBondContact NE2-OD2 2.88Å; Q238-D242 VanDerWaalsContact O-CG 3.24Å; Q238-D242 PolarHBondContact O-N 3.49Å
239N74.5Confident74.4Confident95 Ų9560.2 Ų60.251%0.50833%0.325SS..Hα-helixtrans-55.9-33.7177-68.1-20.6000112.4E235 F243E235-N239 WeakPolarHBondContact O-CB 3.49Å; E235-N239 PolarHBondContact O-N 3.17Å; E235-N239 PolarHBondContact O-ND2 3.4Å; N239-F243 WeakPolarHBondContact O-CB 3.48Å; N239-F243 PolarHBondContact O-N 3.31Å
240F78.5Confident74.5Confident7 Ų759 Ų593%0.03133%0.328CS..Hα-helixtrans-74.3-39.7175.2-175.8-106.2000113.4I225 F227 M236 V237 Q238 D242 F243 L244 L266 T301 M305 V311 I317I225-F240 HydrophobicContact CD1-CE1 3.78Å; I225-F240 HydrophobicContact CD1-CZ 4.02Å; F227-F240 HydrophobicContact CZ-CD1 4.43Å; F227-F240 HydrophobicContact CZ-CE1 4.07Å; F227-F240 HydrophobicContact CZ-CZ 4.31Å; M236-F240 WeakPolarHBondContact O-CB 3.37Å; M236-F240 PolarHBondContact O-N 2.98Å; V237-F240 PolarHBondContact O-N 2.79Å; Q238-F240 PolarHBondContact O-N 2.91Å; Q238-F240 VanDerWaalsContact O-N 3.14Å; F240-D242 VanDerWaalsContact C-N 3.34Å; F240-F243 PolarHBondContact O-N 3.45Å; F240-L244 HydrophobicContact CD1-CD1 4.07Å; F240-L244 HydrophobicContact CD1-CG 4.48Å; F240-L244 HydrophobicContact CE1-CD1 3.49Å; F240-L244 VanDerWaalsContact CE1-CD1 3.49Å; F240-L244 HydrophobicContact CE1-CG 4.04Å; F240-L244 HydrophobicContact CE2-CD2 4.41Å; F240-L244 HydrophobicContact CE2-CG 4.37Å; F240-L244 HydrophobicContact CZ-CD1 3.83Å; F240-L244 HydrophobicContact CZ-CD2 4.03Å; F240-L244 HydrophobicContact CZ-CG 3.98Å; F240-L244 WeakPolarHBondContact O-CG 3.2Å; F240-L244 PolarHBondContact O-N 3.3Å; F240-L266 HydrophobicContact CD1-CD2 3.51Å; F240-L266 HydrophobicContact CE1-CD2 3.58Å; F240-T301 HydrophobicContact CZ-CG2 4.25Å; F240-M305 HydrophobicContact CD2-CE 3.85Å; F240-M305 HydrophobicContact CE2-CE 3.39Å; F240-M305 HydrophobicContact CE2-CG 4.27Å; F240-M305 HydrophobicContact CZ-CE 4.19Å; F240-V311 HydrophobicContact CB-CG1 4.07Å; F240-V311 HydrophobicContact CD2-CB 4.4Å; F240-V311 HydrophobicContact CD2-CG1 4.04Å; F240-I317 HydrophobicContact CZ-CD1 4.46Å
241M80.6Confident74.7Confident12 Ų1260.6 Ų60.66%0.05934%0.336CS..Hα-helixtrans-65.7-37.1172.7-67.1-52.6-51.300112V237 Q238 L244 T245 F256 V259 L266 F268V237-M241 WeakPolarHBondContact O-CG 3.4Å; V237-M241 PolarHBondContact O-N 3.08Å; Q238-M241 PolarHBondContact O-N 2.96Å; M241-L244 PolarHBondContact O-N 3.44Å; M241-L244 HydrophobicContact SD-CD1 4.38Å; M241-T245 WeakPolarHBondContact O-CB 3.32Å; M241-T245 PolarHBondContact O-N 3.47Å; M241-T245 PolarHBondContact O-OG1 3.12Å; M241-F256 HydrophobicContact CE-CB 3.38Å; M241-F256 HydrophobicContact CE-CD2 4.17Å; M241-F256 HydrophobicContact CE-CG 4.01Å; M241-V259 HydrophobicContact CE-CG2 3.83Å; M241-V259 HydrophobicContact CG-CG1 4.15Å; M241-V259 HydrophobicContact CG-CG2 4.3Å; M241-V259 HydrophobicContact SD-CG1 4.03Å; M241-V259 HydrophobicContact SD-CG2 4.16Å; M241-L266 HydrophobicContact SD-CD1 4.44Å; M241-L266 HydrophobicContact SD-CD2 3.93Å; M241-F268 HydrophobicContact CE-CB 4.3Å; M241-F268 HydrophobicContact CE-CD1 4.01Å; M241-F268 HydrophobicContact CE-CE1 4.49Å; M241-F268 HydrophobicContact CE-CG 4.08Å; M241-F268 HydrophobicContact SD-CD1 4.05Å; M241-F268 HydrophobicContact SD-CE1 4.49Å
242D78Confident74.9Confident70 Ų7063 Ų6337%0.37435%0.346SS..Hα-helixtrans-67.9-41.6177-63.4-19.5000110.8Q238 F240 T245 L246Q238-D242 PolarHBondContact NE2-OD1 2.86Å; Q238-D242 PolarHBondContact NE2-OD2 2.88Å; Q238-D242 VanDerWaalsContact O-CG 3.24Å; Q238-D242 PolarHBondContact O-N 3.49Å; F240-D242 VanDerWaalsContact C-N 3.34Å; D242-T245 WeakPolarHBondContact O-CB 3.49Å; D242-T245 PolarHBondContact O-N 3.02Å; D242-L246 PolarHBondContact O-N 3.21Å
243F79.9Confident75.4Confident54 Ų5460.8 Ų60.824%0.23733%0.327CS..Hα-helixtrans-60.1-45.7171.2174-97.3000112.6N239 F240 T245 L246 A247 V311N239-F243 WeakPolarHBondContact O-CB 3.48Å; N239-F243 PolarHBondContact O-N 3.31Å; F240-F243 PolarHBondContact O-N 3.45Å; F243-T245 VanDerWaalsContact C-N 3.28Å; F243-T245 PolarHBondContact O-N 2.92Å; F243-L246 PolarHBondContact O-N 3.15Å; F243-A247 HydrophobicContact CE1-CB 4.45Å; F243-A247 HydrophobicContact CZ-CB 4.37Å; F243-A247 VanDerWaalsContact O-CB 3.3Å; F243-A247 WeakPolarHBondContact O-CB 3.5Å; F243-A247 PolarHBondContact O-N 3.41Å; F243-V311 HydrophobicContact CB-CG1 4.19Å; F243-V311 HydrophobicContact CB-CG2 4.05Å; F243-V311 HydrophobicContact CD1-CG2 3.95Å; F243-V311 HydrophobicContact CD2-CG2 3.71Å; F243-V311 HydrophobicContact CE1-CG2 4.35Å; F243-V311 HydrophobicContact CE2-CG2 4.13Å; F243-V311 HydrophobicContact CG-CG2 3.61Å; F243-V311 HydrophobicContact CZ-CG2 4.43Å
244L79.7Confident75.7Confident1 Ų157.8 Ų57.81%0.00531%0.31CS..Hα-helixtrans-62.9-36.6174.7-69.9179.5000111.9I225 F240 M241 A247 I248 G249 F256 F268 T301I225-L244 HydrophobicContact CD1-CD1 4.36Å; F240-L244 HydrophobicContact CD1-CD1 4.07Å; F240-L244 HydrophobicContact CD1-CG 4.48Å; F240-L244 HydrophobicContact CE1-CD1 3.49Å; F240-L244 VanDerWaalsContact CE1-CD1 3.49Å; F240-L244 HydrophobicContact CE1-CG 4.04Å; F240-L244 HydrophobicContact CE2-CD2 4.41Å; F240-L244 HydrophobicContact CE2-CG 4.37Å; F240-L244 HydrophobicContact CZ-CD1 3.83Å; F240-L244 HydrophobicContact CZ-CD2 4.03Å; F240-L244 HydrophobicContact CZ-CG 3.98Å; F240-L244 WeakPolarHBondContact O-CG 3.2Å; F240-L244 PolarHBondContact O-N 3.3Å; M241-L244 PolarHBondContact O-N 3.44Å; M241-L244 HydrophobicContact SD-CD1 4.38Å; L244-A247 PolarHBondContact O-N 3.13Å; L244-I248 HydrophobicContact CD2-CD1 3.9Å; L244-I248 WeakPolarHBondContact O-CA 3.4Å; L244-I248 WeakPolarHBondContact O-CB 3.28Å; L244-I248 PolarHBondContact O-N 3.16Å; L244-G249 PolarHBondContact O-N 2.91Å; L244-G249 VanDerWaalsContact O-N 3.1Å; L244-F256 HydrophobicContact CB-CD2 4.31Å; L244-F256 HydrophobicContact CB-CE2 4.01Å; L244-F256 WeakPolarHBondContact O-CE2 3.33Å; L244-F268 HydrophobicContact CD1-CE1 3.77Å; L244-F268 HydrophobicContact CD1-CZ 3.88Å; L244-T301 HydrophobicContact CD2-CG2 3.69Å
245T78.1Confident76Confident53 Ų5355.3 Ų55.333%0.32529%0.293SS..Iπ-helixtrans-64.9-42.7177-57.60000111M241 D242 F243 G249 I250M241-T245 WeakPolarHBondContact O-CB 3.32Å; M241-T245 PolarHBondContact O-N 3.47Å; M241-T245 PolarHBondContact O-OG1 3.12Å; D242-T245 WeakPolarHBondContact O-CB 3.49Å; D242-T245 PolarHBondContact O-N 3.02Å; F243-T245 VanDerWaalsContact C-N 3.28Å; F243-T245 PolarHBondContact O-N 2.92Å; T245-G249 CarbonylContact O-C 3.6Å; T245-G249 WeakPolarHBondContact O-CA 3.43Å; T245-G249 PolarHBondContact O-N 3.12Å; T245-G249 VanDerWaalsContact O-N 3.17Å; T245-I250 HydrophobicContact CG2-CG1 4.47Å; T245-I250 WeakPolarHBondContact O-CG1 3.35Å; T245-I250 PolarHBondContact O-N 2.96Å
246L77Confident76.5Confident121 Ų12149.5 Ų49.563%0.63427%0.266SS*.Iπ-helixtrans-66.1-45.9173.4-80.2158.2000113D242 F243 I250 P251D242-L246 PolarHBondContact O-N 3.21Å; F243-L246 PolarHBondContact O-N 3.15Å; L246-I250 HydrophobicContact CD2-CD1 4.14Å; L246-P251 WeakPolarHBondContact O-CD 3.46Å
247A76Confident76.7Confident36 Ų3650 Ų5030%0.29827%0.27SS..Iπ-helixtrans-85.5-23.1-17100000115F243 L244 L304F243-A247 HydrophobicContact CE1-CB 4.45Å; F243-A247 HydrophobicContact CZ-CB 4.37Å; F243-A247 VanDerWaalsContact O-CB 3.3Å; F243-A247 WeakPolarHBondContact O-CB 3.5Å; F243-A247 PolarHBondContact O-N 3.41Å; L244-A247 PolarHBondContact O-N 3.13Å; A247-L304 HydrophobicContact CB-CD1 3.84Å; A247-L304 HydrophobicContact CB-CD2 4.37Å
248I79.1Confident76.9Confident3 Ų354.3 Ų54.32%0.01529%0.292CS..Iπ-helixtrans-130.8-45.1-176.1-47.4179.2000111.7L244 K252 F256 V297 E300 T301 L304L244-I248 HydrophobicContact CD2-CD1 3.9Å; L244-I248 WeakPolarHBondContact O-CA 3.4Å; L244-I248 WeakPolarHBondContact O-CB 3.28Å; L244-I248 PolarHBondContact O-N 3.16Å; I248-K252 PolarHBondContact O-N 3.25Å; I248-F256 HydrophobicContact CB-CZ 4.11Å; I248-F256 HydrophobicContact CG2-CZ 4.23Å; I248-V297 HydrophobicContact CG2-CG1 4.49Å; I248-E300 HydrophobicContact CD1-CB 4.47Å; I248-T301 WeakPolarHBondContact CD1-OG1 3.25Å; I248-L304 HydrophobicContact CD1-CD1 3.78Å; I248-L304 HydrophobicContact CG1-CD1 3.51Å
249G74Confident77Confident1 Ų152.2 Ų52.21%0.0129%0.287CS..Iπ-helixtrans-64.8-53.2-173.300000113.7L244 T245 K252 N253 V254L244-G249 PolarHBondContact O-N 2.91Å; L244-G249 VanDerWaalsContact O-N 3.1Å; T245-G249 CarbonylContact O-C 3.6Å; T245-G249 WeakPolarHBondContact O-CA 3.43Å; T245-G249 PolarHBondContact O-N 3.12Å; T245-G249 VanDerWaalsContact O-N 3.17Å; G249-K252 PolarHBondContact O-N 3.05Å; G249-N253 WeakPolarHBondContact O-CA 3.4Å; G249-N253 PolarHBondContact O-N 3.48Å; G249-V254 CarbonylContact C-O 3.52Å; G249-V254 VanDerWaalsContact CA-O 3.22Å; G249-V254 WeakPolarHBondContact CA-O 3.45Å; G249-V254 PolarHBondContact O-N 3Å
250I73.2Confident77.3Confident115 Ų11550.9 Ų50.959%0.5928%0.279SS*.Hα-helixtrans-64.7-50-179.8-67.3170.1000111.8T245 L246 K252 N253T245-I250 HydrophobicContact CG2-CG1 4.47Å; T245-I250 WeakPolarHBondContact O-CG1 3.35Å; T245-I250 PolarHBondContact O-N 2.96Å; L246-I250 HydrophobicContact CD2-CD1 4.14Å; I250-K252 PolarHBondContact O-N 3.34Å; I250-K252 VanDerWaalsContact O-N 3.07Å; I250-N253 PolarHBondContact O-N 3.09Å
251P72.1Confident77.2Confident93 Ų9352.9 Ų52.960%0.60429%0.292SS*.Hα-helixtrans-60.6-20.1179.7-26.536000115.1L246L246-P251 WeakPolarHBondContact O-CD 3.46Å
252K70.2Confident77Confident67 Ų6758.9 Ų58.929%0.29132%0.32SS..Hα-helixtrans-1204.3-175.6-65.3-171.9174.7-174.90115.2I248 G249 I250 V254 V292 E300I248-K252 PolarHBondContact O-N 3.25Å; G249-K252 PolarHBondContact O-N 3.05Å; I250-K252 PolarHBondContact O-N 3.34Å; I250-K252 VanDerWaalsContact O-N 3.07Å; K252-V254 HydrophobicContact CB-CG2 3.5Å; K252-V254 WeakPolarHBondContact O-CG2 3.4Å; K252-V292 HydrophobicContact CB-CG2 4.27Å; K252-V292 HydrophobicContact CD-CG2 4.43Å; K252-E300 IonicContact NZ-OE1 2.7Å; K252-E300 PolarHBondContact NZ-OE1 3.16Å; K252-E300 IonicContact NZ-OE2 2.67Å; K252-E300 PolarHBondContact NZ-OE2 3.05Å
253N75.3Confident76.9Confident58 Ų5857.2 Ų57.231%0.3132%0.319SS..THydrogen-bonded Turntrans55.553.5-178.6-169.775.4000112.7G249 I250 L273 I286G249-N253 WeakPolarHBondContact O-CA 3.4Å; G249-N253 PolarHBondContact O-N 3.48Å; I250-N253 PolarHBondContact O-N 3.09Å; N253-L273 VanDerWaalsContact CG-CB 3.49Å; N253-L273 VanDerWaalsContact ND2-CB 3.31Å; N253-L273 WeakPolarHBondContact ND2-CB 3.15Å; N253-L273 PolarHBondContact ND2-O 3.48Å; N253-L273 WeakPolarHBondContact O-CB 3.38Å; N253-L273 PolarHBondContact O-N 2.65Å; N253-L273 VanDerWaalsContact O-N 3.13Å; N253-L273 WeakPolarHBondContact OD1-CB 3.35Å; N253-I286 HydrophobicContact CB-CD1 4.1Å
254V77.7Confident76.8Confident3 Ų358 Ų582%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-131.2138.3-178.5-129.70000110.8G249 K252 V270 S271 V292G249-V254 CarbonylContact C-O 3.52Å; G249-V254 VanDerWaalsContact CA-O 3.22Å; G249-V254 WeakPolarHBondContact CA-O 3.45Å; G249-V254 PolarHBondContact O-N 3Å; K252-V254 HydrophobicContact CB-CG2 3.5Å; K252-V254 WeakPolarHBondContact O-CG2 3.4Å; V254-V270 HydrophobicContact CB-CG1 4.48Å; V254-V270 HydrophobicContact CG1-CG1 3.44Å; V254-V270 VanDerWaalsContact CG1-CG1 3.44Å; V254-S271 CarbonylContact C-O 3.55Å; V254-S271 WeakPolarHBondContact CA-O 3.47Å; V254-S271 WeakPolarHBondContact CG1-O 3.2Å; V254-V292 HydrophobicContact CG2-CG2 4.16Å
255T77.3Confident76.9Confident50 Ų5059.1 Ų59.131%0.30733%0.331SS..EExtended strand (participates in β ladder)trans-101.7154.6170.252.20000111.7D257 S271 L273T255-D257 PolarHBondContact OG1-OD2 3.19Å; T255-S271 PolarHBondContact N-O 3.37Å; T255-S271 PolarHBondContact O-N 3.39Å; T255-S271 WeakPolarHBondContact OG1-CB 3.4Å; T255-S271 PolarHBondContact OG1-O 2.89Å; T255-L273 HydrophobicContact CG2-CD1 3.91Å; T255-L273 HydrophobicContact CG2-CG 3.86Å
256F82.4Confident77.2Confident22 Ų2256.6 Ų56.610%0.09632%0.315CS..EExtended strand (participates in β ladder)trans-110.3101.6176.5-55.1-55000110.2M241 L244 I248 F268 E269 V270 V297M241-F256 HydrophobicContact CE-CB 3.38Å; M241-F256 HydrophobicContact CE-CD2 4.17Å; M241-F256 HydrophobicContact CE-CG 4.01Å; L244-F256 HydrophobicContact CB-CD2 4.31Å; L244-F256 HydrophobicContact CB-CE2 4.01Å; L244-F256 WeakPolarHBondContact O-CE2 3.33Å; I248-F256 HydrophobicContact CB-CZ 4.11Å; I248-F256 HydrophobicContact CG2-CZ 4.23Å; F256-F268 HydrophobicContact CB-CD2 4.03Å; F256-F268 HydrophobicContact CB-CG 4.42Å; F256-F268 AromaticContact CD1-CD2 3.64Å; F256-F268 HydrophobicContact CD1-CD2 3.64Å; F256-F268 AromaticContact CD1-CE2 3.53Å; F256-F268 HydrophobicContact CD1-CE2 3.53Å; F256-F268 HydrophobicContact CE1-CD2 4.48Å; F256-F268 AromaticContact CE1-CE2 3.94Å; F256-F268 HydrophobicContact CE1-CE2 3.94Å; F256-F268 HydrophobicContact CG-CD2 4.07Å; F256-F268 HydrophobicContact CG-CE2 4.14Å; F256-E269 CarbonylContact C-O 3.47Å; F256-E269 WeakPolarHBondContact CA-O 3.4Å; F256-V270 HydrophobicContact CD1-CG2 4.26Å; F256-V270 HydrophobicContact CE1-CG2 4.34Å; F256-V297 HydrophobicContact CE1-CG1 3.99Å; F256-V297 HydrophobicContact CZ-CG1 4.45Å
257D77.4Confident77.5Confident65 Ų6551.8 Ų51.835%0.34829%0.292SS..EExtended strand (participates in β ladder)trans-104169.5-172.5-67.1-68.5000111.7T255 V259 E269 S271T255-D257 PolarHBondContact OG1-OD2 3.19Å; D257-V259 PolarHBondContact O-N 3.16Å; D257-E269 PolarHBondContact N-O 3.25Å; D257-E269 WeakPolarHBondContact O-CB 3.35Å; D257-E269 PolarHBondContact O-N 3.22Å; D257-S271 WeakPolarHBondContact OD2-CB 3.48Å; D257-S271 PolarHBondContact OD2-OG 3.43Å
258N76.8Confident78Confident109 Ų10950 Ų5058%0.58328%0.278SS*.EExtended strand (participates in β ladder)trans49.238.7173.5-67.5-36.5000114.6R222 N260 E269R222-N258 PolarHBondContact NH1-O 3.14Å; R222-N258 PolarHBondContact NH2-O 3.23Å; N258-N260 PolarHBondContact O-N 3.46Å; N258-E269 HydrophobicContact CB-CB 4.22Å; N258-E269 PolarHBondContact ND2-OE2 3.09Å
259V79.7Confident78.1Confident62 Ų6251.4 Ų51.438%0.37628%0.284SS..EExtended strand (participates in β ladder)trans-57.4127.3177.3-172.70000110.1M241 D257 L266 S267 F268M241-V259 HydrophobicContact CE-CG2 3.83Å; M241-V259 HydrophobicContact CG-CG1 4.15Å; M241-V259 HydrophobicContact CG-CG2 4.3Å; M241-V259 HydrophobicContact SD-CG1 4.03Å; M241-V259 HydrophobicContact SD-CG2 4.16Å; D257-V259 PolarHBondContact O-N 3.16Å; V259-L266 HydrophobicContact CG1-CD1 3.63Å; V259-S267 CarbonylContact C-O 3.57Å; V259-S267 WeakPolarHBondContact CA-O 3.3Å; V259-F268 HydrophobicContact CG2-CB 4.12Å
260N79.5Confident78.3Confident67 Ų6752.8 Ų52.836%0.35829%0.292SS..EExtended strand (participates in β ladder)trans-142.6131.2-177.8-169.416.5000110.6N258 S267N258-N260 PolarHBondContact O-N 3.46Å; N260-S267 PolarHBondContact N-O 2.94Å; N260-S267 PolarHBondContact O-N 2.85Å; N260-S267 PolarHBondContact O-OG 2.95Å
261V77.4Confident78.2Confident49 Ų4949 Ų4930%0.29728%0.276SS..EExtended strand (participates in β ladder)trans-114.2126.4-175.4-177.70000109.5L231 V237 E265 L266L231-V261 HydrophobicContact CB-CG1 4.17Å; V237-V261 HydrophobicContact CG1-CG2 3.92Å; V237-V261 HydrophobicContact CG2-CG2 4Å; V261-E265 CarbonylContact C-O 3.56Å; V261-E265 WeakPolarHBondContact CA-O 3.44Å; V261-L266 HydrophobicContact CG2-CD1 3.64Å
262H75.3Confident78.1Confident138 Ų13848.5 Ų48.564%0.63927%0.268SS*.EExtended strand (participates in β ladder)trans-130.782.6179.2-132.8-62.5000110.8N264 E265H262-N264 PolarHBondContact O-N 3.32Å; H262-N264 VanDerWaalsContact O-N 3.15Å; H262-E265 PolarHBondContact N-O 3.38Å; H262-E265 PolarHBondContact O-N 3.17Å
263G77.7Confident77.8Confident35 Ų3549.3 Ų49.336%0.36128%0.275SS..THydrogen-bonded Turntrans68-106.3-17900000112.3S230 L231 E265S230-G263 WeakPolarHBondContact CA-O 3.49Å; L231-G263 PolarHBondContact N-O 3.3Å; G263-E265 VanDerWaalsContact C-N 3.26Å; G263-E265 PolarHBondContact O-N 3.1Å
264N77.8Confident76.6Confident71 Ų7157.1 Ų57.138%0.3830%0.3SS..THydrogen-bonded Turntrans-84.97.5-179.5-7646.7000113.7F227 S230 H262F227-N264 PolarHBondContact N-O 2.8Å; F227-N264 PolarHBondContact O-ND2 2.96Å; F227-N264 VanDerWaalsContact O-ND2 3.14Å; S230-N264 WeakPolarHBondContact CA-OD1 3.47Å; S230-N264 PolarHBondContact N-OD1 3.02Å; H262-N264 PolarHBondContact O-N 3.32Å; H262-N264 VanDerWaalsContact O-N 3.15Å
265E80.7Confident74.9Confident23 Ų2366 Ų6611%0.10734%0.341CS..EExtended strand (participates in β ladder)trans-132.2131.7-169.3-16716387.800112.7Y224 I225 R226 V261 H262 G263 R328Y224-E265 HydrophobicContact CD2-CG 4.47Å; I225-E265 WeakPolarHBondContact O-CA 3.49Å; R226-E265 IonicContact CZ-OE2 2.74Å; R226-E265 IonicContact NE-OE2 3.71Å; R226-E265 PolarHBondContact NE-OE2 2.91Å; R226-E265 IonicContact NH2-OE2 3.52Å; R226-E265 PolarHBondContact NH2-OE2 3.09Å; V261-E265 CarbonylContact C-O 3.56Å; V261-E265 WeakPolarHBondContact CA-O 3.44Å; H262-E265 PolarHBondContact N-O 3.38Å; H262-E265 PolarHBondContact O-N 3.17Å; G263-E265 VanDerWaalsContact C-N 3.26Å; G263-E265 PolarHBondContact O-N 3.1Å; E265-R328 IonicContact OE1-CZ 3.23Å; E265-R328 IonicContact OE1-NH1 2.74Å; E265-R328 PolarHBondContact OE1-NH1 2.86Å; E265-R328 IonicContact OE1-NH2 3.8Å; E265-R328 PolarHBondContact OE1-NH2 2.85Å; E265-R328 IonicContact OE2-CZ 2.8Å; E265-R328 IonicContact OE2-NH1 3.91Å; E265-R328 PolarHBondContact OE2-NH1 3.49Å
266L84.4Confident72.9Confident0 Ų067.3 Ų67.30%037%0.365CS..EExtended strand (participates in β ladder)trans-104.5139169.5179.670.6000108.1Y224 I225 F227 V237 F240 M241 V259 V261 F268Y224-L266 WeakPolarHBondContact CA-O 3.5Å; I225-L266 HydrophobicContact CD1-CD2 4.45Å; I225-L266 PolarHBondContact N-O 3.08Å; I225-L266 PolarHBondContact O-N 3.44Å; F227-L266 HydrophobicContact CE2-CB 3.91Å; V237-L266 HydrophobicContact CG1-CD1 3.99Å; F240-L266 HydrophobicContact CD1-CD2 3.51Å; F240-L266 HydrophobicContact CE1-CD2 3.58Å; M241-L266 HydrophobicContact SD-CD1 4.44Å; M241-L266 HydrophobicContact SD-CD2 3.93Å; V259-L266 HydrophobicContact CG1-CD1 3.63Å; V261-L266 HydrophobicContact CG2-CD1 3.64Å; L266-F268 HydrophobicContact CD2-CD1 4.42Å; L266-F268 HydrophobicContact CG-CD1 4.4Å
267S83.2Confident70.5Confident20 Ų2069 Ų6914%0.1439%0.388CS..EExtended strand (participates in β ladder)trans-138.7141170.965.80000111.5R222 V223 V259 N260R222-S267 PolarHBondContact NH2-O 3.43Å; R222-S267 VanDerWaalsContact NH2-O 3.13Å; R222-S267 PolarHBondContact NH2-OG 3.22Å; V223-S267 WeakPolarHBondContact O-CA 3.33Å; V223-S267 WeakPolarHBondContact O-CB 3.36Å; V259-S267 CarbonylContact C-O 3.57Å; V259-S267 WeakPolarHBondContact CA-O 3.3Å; N260-S267 PolarHBondContact N-O 2.94Å; N260-S267 PolarHBondContact O-N 2.85Å; N260-S267 PolarHBondContact O-OG 2.95Å
268F86.9Confident68.4Low0 Ų072.1 Ų72.10%041%0.412CS..EExtended strand (participates in β ladder)trans-143.9162.7178.855-96.5000111.1R222 V223 I225 M241 L244 F256 V259 L266 V270 V297R222-F268 CarbonylContact C-O 3.57Å; R222-F268 WeakPolarHBondContact CA-O 3.27Å; V223-F268 HydrophobicContact CB-CD2 4.1Å; V223-F268 HydrophobicContact CB-CE1 4.39Å; V223-F268 HydrophobicContact CB-CE2 3.68Å; V223-F268 HydrophobicContact CB-CZ 3.85Å; V223-F268 HydrophobicContact CG1-CE1 4.18Å; V223-F268 HydrophobicContact CG1-CE2 4.03Å; V223-F268 HydrophobicContact CG1-CZ 3.68Å; V223-F268 HydrophobicContact CG2-CE2 3.96Å; V223-F268 HydrophobicContact CG2-CZ 4.43Å; V223-F268 PolarHBondContact N-O 3.06Å; V223-F268 PolarHBondContact O-N 3.45Å; I225-F268 HydrophobicContact CD1-CE1 3.7Å; I225-F268 HydrophobicContact CD1-CZ 4.26Å; I225-F268 HydrophobicContact CG1-CE1 4.43Å; M241-F268 HydrophobicContact CE-CB 4.3Å; M241-F268 HydrophobicContact CE-CD1 4.01Å; M241-F268 HydrophobicContact CE-CE1 4.49Å; M241-F268 HydrophobicContact CE-CG 4.08Å; M241-F268 HydrophobicContact SD-CD1 4.05Å; M241-F268 HydrophobicContact SD-CE1 4.49Å; L244-F268 HydrophobicContact CD1-CE1 3.77Å; L244-F268 HydrophobicContact CD1-CZ 3.88Å; F256-F268 HydrophobicContact CB-CD2 4.03Å; F256-F268 HydrophobicContact CB-CG 4.42Å; F256-F268 AromaticContact CD1-CD2 3.64Å; F256-F268 HydrophobicContact CD1-CD2 3.64Å; F256-F268 AromaticContact CD1-CE2 3.53Å; F256-F268 HydrophobicContact CD1-CE2 3.53Å; F256-F268 HydrophobicContact CE1-CD2 4.48Å; F256-F268 AromaticContact CE1-CE2 3.94Å; F256-F268 HydrophobicContact CE1-CE2 3.94Å; F256-F268 HydrophobicContact CG-CD2 4.07Å; F256-F268 HydrophobicContact CG-CE2 4.14Å; V259-F268 HydrophobicContact CG2-CB 4.12Å; L266-F268 HydrophobicContact CD2-CD1 4.42Å; L266-F268 HydrophobicContact CG-CD1 4.4Å; F268-V270 HydrophobicContact CD2-CG2 4.26Å; F268-V270 HydrophobicContact CE2-CG2 4.19Å; F268-V297 HydrophobicContact CE2-CG1 4.09Å; F268-V297 HydrophobicContact CZ-CG1 4.37Å
269E81Confident66.1Low31 Ų3178.7 Ų78.715%0.14543%0.429CS..EExtended strand (participates in β ladder)trans-102.4149.6178-166.9167.9169.900109.5N220 F256 D257 N258N220-E269 PolarHBondContact ND2-OE1 3.17Å; F256-E269 CarbonylContact C-O 3.47Å; F256-E269 WeakPolarHBondContact CA-O 3.4Å; D257-E269 PolarHBondContact N-O 3.25Å; D257-E269 WeakPolarHBondContact O-CB 3.35Å; D257-E269 PolarHBondContact O-N 3.22Å; N258-E269 HydrophobicContact CB-CB 4.22Å; N258-E269 PolarHBondContact ND2-OE2 3.09Å
270V78.1Confident63.8Low31 Ų3184.6 Ų84.619%0.18845%0.452CS..EExtended strand (participates in β ladder)trans-115114.6-173.8178.80000108.6V223 V254 F256 F268 V297V223-V270 HydrophobicContact CG2-CG2 3.77Å; V254-V270 HydrophobicContact CB-CG1 4.48Å; V254-V270 HydrophobicContact CG1-CG1 3.44Å; V254-V270 VanDerWaalsContact CG1-CG1 3.44Å; F256-V270 HydrophobicContact CD1-CG2 4.26Å; F256-V270 HydrophobicContact CE1-CG2 4.34Å; F268-V270 HydrophobicContact CD2-CG2 4.26Å; F268-V270 HydrophobicContact CE2-CG2 4.19Å; V270-V297 HydrophobicContact CG1-CG2 4.2Å; V270-V297 HydrophobicContact CG2-CG1 4.43Å; V270-V297 HydrophobicContact CG2-CG2 4.37Å
271S71.7Confident61.3Low34 Ų3486.7 Ų86.724%0.23847%0.472CS..EExtended strand (participates in β ladder)trans-119.9134.7-174.4-50.20000111.9V254 T255 D257 L273V254-S271 CarbonylContact C-O 3.55Å; V254-S271 WeakPolarHBondContact CA-O 3.47Å; V254-S271 WeakPolarHBondContact CG1-O 3.2Å; T255-S271 PolarHBondContact N-O 3.37Å; T255-S271 PolarHBondContact O-N 3.39Å; T255-S271 WeakPolarHBondContact OG1-CB 3.4Å; T255-S271 PolarHBondContact OG1-O 2.89Å; D257-S271 WeakPolarHBondContact OD2-CB 3.48Å; D257-S271 PolarHBondContact OD2-OG 3.43Å; S271-L273 PolarHBondContact O-N 3.17Å
272D70.7Confident59.1Low84 Ų8495.4 Ų95.445%0.44950%0.501SS..EExtended strand (participates in β ladder)trans-64.5131.6171.6-58.5-54000110.5R274D272-R274 PolarHBondContact O-N 2.89Å
273L63.1Low56.8Low83 Ų8394 Ų9444%0.43551%0.513SS..  trans-66.3101.1178.7-123.6145.6000110.4N253 T255 S271N253-L273 VanDerWaalsContact CG-CB 3.49Å; N253-L273 VanDerWaalsContact ND2-CB 3.31Å; N253-L273 WeakPolarHBondContact ND2-CB 3.15Å; N253-L273 PolarHBondContact ND2-O 3.48Å; N253-L273 WeakPolarHBondContact O-CB 3.38Å; N253-L273 PolarHBondContact O-N 2.65Å; N253-L273 VanDerWaalsContact O-N 3.13Å; N253-L273 WeakPolarHBondContact OD1-CB 3.35Å; T255-L273 HydrophobicContact CG2-CD1 3.91Å; T255-L273 HydrophobicContact CG2-CG 3.86Å; S271-L273 PolarHBondContact O-N 3.17Å
274R50.4Low54.7Low223 Ų223101.1 Ų101.184%0.84254%0.535SS*.  trans-70.7129.5179.7-82.6-176.4166.4-178.5-3.6112D272 G276D272-R274 PolarHBondContact O-N 2.89Å; R274-G276 PolarHBondContact O-N 3.08Å
275E42.3Very low52.5Low189 Ų189107.1 Ų107.188%0.88356%0.557SS**THydrogen-bonded Turntrans-57.7107.3167.5-60.7-178.6139.300110.1
276G34.4Very low50.3Low78 Ų78111.3 Ų111.380%0.80458%0.579SS**THydrogen-bonded Turntrans158.2-15-178.600000116.4R274R274-G276 PolarHBondContact O-N 3.08Å
277G32.5Very low47.8Very low56 Ų56117 Ų11758%0.57761%0.614SS**SBendtrans-66.3155.3172.200000113.2R279G277-R279 PolarHBondContact O-N 2.8Å
278P32.4Very low45.5Very low132 Ų132125.2 Ų125.286%0.85765%0.648SS**PPolyproline II helixtrans-64.7125.2177.827.5-33.9000110.7Q280P278-Q280 PolarHBondContact O-N 2.83Å
279R28.3Very low43.1Very low247 Ų247134 Ų13493%0.93269%0.688SS**PPolyproline II helixtrans-61.5116.3-176.2-70.1175.4171.3166.9-4.5112G277G277-R279 PolarHBondContact O-N 2.8Å
280Q32.3Very low41.3Very low186 Ų186140.9 Ų140.987%0.86972%0.721SS**PPolyproline II helixtrans-95.8150144.4-73.7-172.2-16.500109.1P278 Y282P278-Q280 PolarHBondContact O-N 2.83Å; Q280-Y282 PolarHBondContact O-N 3.25Å
281S27Very low40.1Very low110 Ų110147.3 Ų147.377%0.76975%0.746SS**SBendtrans-101.986.7-152.652.70000114
282Y31.8Very low39.6Very low232 Ų232146.9 Ų146.991%0.9174%0.742SS**  trans-130.3125.4156.5-66.5-75.2000108.6Q280Q280-Y282 PolarHBondContact O-N 3.25Å
283A26.6Very low39.5Very low108 Ų108149.1 Ų149.189%0.89375%0.75SS**  trans-106.9103.4-169.700000111.2
284F33.1Very low39.9Very low185 Ų185145.8 Ų145.881%0.81173%0.734SS**  trans-122.5132.3170.1-144-94000109.9I286F284-I286 PolarHBondContact O-N 3.07Å
285K30.9Very low40.9Very low197 Ų197137.3 Ų137.386%0.85771%0.709SS**  trans-80.3100.3177-85.8178.7174.9172.20109.5T287K285-T287 PolarHBondContact O-N 3.21Å
286I35.4Very low42.3Very low111 Ų111132.4 Ų132.457%0.56969%0.686SS**  trans-69.9127.2176.9-56.9176.3000109.8N253 F284N253-I286 HydrophobicContact CB-CD1 4.1Å; F284-I286 PolarHBondContact O-N 3.07Å
287T31.6Very low44.2Very low120 Ų120128.7 Ų128.774%0.73665%0.648SS**  trans-108.4121.7177.7-62.10000110.4K285K285-T287 PolarHBondContact O-N 3.21Å
288K36Very low46.3Very low192 Ų192126 Ų12684%0.83562%0.62SS**SBendtrans54.4108.3176.4-69.6178.5179.6171.10116Q290K288-Q290 PolarHBondContact O-N 2.91Å; K288-Q290 VanDerWaalsContact O-N 3.15Å
289Q34.5Very low48.4Very low184 Ų184122.2 Ų122.286%0.8659%0.591SS**  trans-60112.4170.2-66.2170.3-10.600111.4
290Q44.2Very low50.5Low177 Ų177113 Ų11383%0.82756%0.559SS**  trans-111.1115.7166.7-170.8171.59.700109K288 V292K288-Q290 PolarHBondContact O-N 2.91Å; K288-Q290 VanDerWaalsContact O-N 3.15Å; Q290-V292 PolarHBondContact O-N 3.07Å; Q290-V292 VanDerWaalsContact O-N 3.15Å
291K52Low52.6Low165 Ų165104.1 Ų104.172%0.71752%0.518SS*.  trans-68.1111.6-171.6-167.7176.4-172.7-179.80111.5
292V61.1Low54.8Low25 Ų25100.3 Ų100.315%0.15249%0.486CS..  trans-71.3135.7-175.6-173.50000110.4K252 V254 Q290 V297K252-V292 HydrophobicContact CB-CG2 4.27Å; K252-V292 HydrophobicContact CD-CG2 4.43Å; V254-V292 HydrophobicContact CG2-CG2 4.16Å; Q290-V292 PolarHBondContact O-N 3.07Å; Q290-V292 VanDerWaalsContact O-N 3.15Å; V292-V297 HydrophobicContact CG1-CG2 3.8Å
293Q70.2Confident56.8Low132 Ų13293.4 Ų93.462%0.61746%0.463SS*.  trans-95.7143175.9-62-173.72000111.3S295 Q296 V297Q293-S295 WeakPolarHBondContact CB-OG 3.42Å; Q293-S295 PolarHBondContact O-N 2.87Å; Q293-S295 VanDerWaalsContact O-N 3.15Å; Q293-S295 PolarHBondContact OE1-OG 2.87Å; Q293-Q296 WeakPolarHBondContact O-CB 3.19Å; Q293-Q296 PolarHBondContact O-N 3.48Å; Q293-V297 PolarHBondContact O-N 3.09Å
294A70Confident58.9Low13 Ų1390.4 Ų90.411%0.10743%0.431CS..Hα-helixtrans-56.1-31176.200000113.1D221 V223 Q296 V297 A298 V322D221-A294 HydrophobicContact CB-CB 4.34Å; V223-A294 HydrophobicContact CG2-CB 3.91Å; V223-A294 WeakPolarHBondContact CG2-O 3.34Å; A294-Q296 VanDerWaalsContact C-N 3.35Å; A294-Q296 PolarHBondContact O-N 3.04Å; A294-V297 PolarHBondContact O-N 2.94Å; A294-A298 WeakPolarHBondContact O-CB 3.08Å; A294-A298 PolarHBondContact O-N 3.4Å; A294-V322 HydrophobicContact CB-CG1 4.35Å; A294-V322 HydrophobicContact CB-CG2 4.24Å
295S71.5Confident60.4Low45 Ų4583.5 Ų83.532%0.31540%0.402SS..Hα-helixtrans-60.5-39.417348.40000113.2Q293 A298 E299Q293-S295 WeakPolarHBondContact CB-OG 3.42Å; Q293-S295 PolarHBondContact O-N 2.87Å; Q293-S295 VanDerWaalsContact O-N 3.15Å; Q293-S295 PolarHBondContact OE1-OG 2.87Å; S295-A298 PolarHBondContact O-N 2.83Å; S295-E299 PolarHBondContact O-N 3.47Å
296Q73.2Confident61.8Low85 Ų8581.1 Ų81.140%0.39739%0.392SS..Hα-helixtrans-70.9-41.6177.9-174.9174.73.200111.2Q293 A294 A298 E299 E300Q293-Q296 WeakPolarHBondContact O-CB 3.19Å; Q293-Q296 PolarHBondContact O-N 3.48Å; A294-Q296 VanDerWaalsContact C-N 3.35Å; A294-Q296 PolarHBondContact O-N 3.04Å; Q296-A298 VanDerWaalsContact C-N 3.32Å; Q296-A298 PolarHBondContact O-N 3.28Å; Q296-E299 PolarHBondContact O-N 3.1Å; Q296-E300 VanDerWaalsContact CG-OE1 3.3Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.24Å; Q296-E300 PolarHBondContact NE2-OE1 2.92Å; Q296-E300 WeakPolarHBondContact O-CB 3.22Å; Q296-E300 WeakPolarHBondContact O-CG 3.27Å; Q296-E300 PolarHBondContact O-N 3.23Å
297V74.4Confident62.9Low0 Ų083.7 Ų83.70%040%0.401CS..Hα-helixtrans-61.8-39.8174.1179.70000111.2V223 I248 F256 F268 V270 V292 Q293 A294 T301V223-V297 HydrophobicContact CG2-CB 4.18Å; V223-V297 HydrophobicContact CG2-CG1 4.14Å; I248-V297 HydrophobicContact CG2-CG1 4.49Å; F256-V297 HydrophobicContact CE1-CG1 3.99Å; F256-V297 HydrophobicContact CZ-CG1 4.45Å; F268-V297 HydrophobicContact CE2-CG1 4.09Å; F268-V297 HydrophobicContact CZ-CG1 4.37Å; V270-V297 HydrophobicContact CG1-CG2 4.2Å; V270-V297 HydrophobicContact CG2-CG1 4.43Å; V270-V297 HydrophobicContact CG2-CG2 4.37Å; V292-V297 HydrophobicContact CG1-CG2 3.8Å; Q293-V297 PolarHBondContact O-N 3.09Å; A294-V297 PolarHBondContact O-N 2.94Å; V297-T301 VanDerWaalsContact O-CB 3.29Å; V297-T301 WeakPolarHBondContact O-CB 3.32Å; V297-T301 PolarHBondContact O-N 2.95Å; V297-T301 PolarHBondContact O-OG1 3.42Å
298A75.7Confident63.8Low0 Ų078.9 Ų78.90%037%0.373CS..Hα-helixtrans-66.8-38.3176.800000113.3V223 A294 S295 Q296 Y302 T320V223-A298 HydrophobicContact CG1-CB 4.13Å; A294-A298 WeakPolarHBondContact O-CB 3.08Å; A294-A298 PolarHBondContact O-N 3.4Å; S295-A298 PolarHBondContact O-N 2.83Å; Q296-A298 VanDerWaalsContact C-N 3.32Å; Q296-A298 PolarHBondContact O-N 3.28Å; A298-Y302 PolarHBondContact O-N 2.95Å; A298-T320 WeakPolarHBondContact O-CB 3.48Å; A298-T320 PolarHBondContact O-OG1 2.71Å
299E76.9Confident64.8Low53 Ų5375.1 Ų75.125%0.24837%0.368CS..Hα-helixtrans-67.1-48174.5-177.880.1174.800110.9S295 Q296 Y302 Q303 T331 R332S295-E299 PolarHBondContact O-N 3.47Å; Q296-E299 PolarHBondContact O-N 3.1Å; E299-Y302 WeakPolarHBondContact O-CB 3.36Å; E299-Y302 PolarHBondContact O-N 2.92Å; E299-Q303 VanDerWaalsContact O-CG 3.23Å; E299-Q303 WeakPolarHBondContact O-CG 3.24Å; E299-Q303 PolarHBondContact O-N 3.09Å; E299-Q303 VanDerWaalsContact O-N 3.11Å; E299-T331 HydrophobicContact CB-CG2 4.34Å; E299-T331 WeakPolarHBondContact OE2-CG2 3.25Å; E299-R332 VanDerWaalsContact CD-NE 3.27Å; E299-R332 IonicContact OE1-CZ 3.57Å; E299-R332 IonicContact OE1-NE 2.69Å; E299-R332 PolarHBondContact OE1-NE 2.73Å; E299-R332 IonicContact OE1-NH2 3.71Å; E299-R332 PolarHBondContact OE1-NH2 2.66Å; E299-R332 IonicContact OE2-CZ 3.73Å; E299-R332 IonicContact OE2-NE 3.88Å; E299-R332 PolarHBondContact OE2-NE 2.93Å
300E72.9Confident65.6Low52 Ų5272.9 Ų72.924%0.24336%0.36CS..Hα-helixtrans-69.1-37.5-178.1-73.7165.5-176.200112.6I248 K252 Q296 Y302 Q303 L304I248-E300 HydrophobicContact CD1-CB 4.47Å; K252-E300 IonicContact NZ-OE1 2.7Å; K252-E300 PolarHBondContact NZ-OE1 3.16Å; K252-E300 IonicContact NZ-OE2 2.67Å; K252-E300 PolarHBondContact NZ-OE2 3.05Å; Q296-E300 VanDerWaalsContact CG-OE1 3.3Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.24Å; Q296-E300 PolarHBondContact NE2-OE1 2.92Å; Q296-E300 WeakPolarHBondContact O-CB 3.22Å; Q296-E300 WeakPolarHBondContact O-CG 3.27Å; Q296-E300 PolarHBondContact O-N 3.23Å; E300-Y302 PolarHBondContact O-N 2.84Å; E300-Q303 WeakPolarHBondContact O-CB 3.2Å; E300-Q303 PolarHBondContact O-N 3.43Å; E300-L304 WeakPolarHBondContact O-CG 3.31Å; E300-L304 PolarHBondContact O-N 3.31Å
301T74.7Confident66.2Low1 Ų165.8 Ų65.81%0.00633%0.329CS..Hα-helixtrans-59.4-36.5172.3-56.80000111.8I225 F240 L244 I248 V297 M305 I317I225-T301 HydrophobicContact CD1-CG2 3.52Å; I225-T301 HydrophobicContact CG1-CG2 4.39Å; F240-T301 HydrophobicContact CZ-CG2 4.25Å; L244-T301 HydrophobicContact CD2-CG2 3.69Å; I248-T301 WeakPolarHBondContact CD1-OG1 3.25Å; V297-T301 VanDerWaalsContact O-CB 3.29Å; V297-T301 WeakPolarHBondContact O-CB 3.32Å; V297-T301 PolarHBondContact O-N 2.95Å; V297-T301 PolarHBondContact O-OG1 3.42Å; T301-M305 PolarHBondContact O-N 3.31Å; T301-I317 HydrophobicContact CG2-CD1 4.46Å
302Y74.6Confident66.3Low29 Ų2958.5 Ų58.511%0.11430%0.299CS..Hα-helixtrans-71.8-30.3175.1-170.1-83.8000112.9A298 E299 E300 K306 I317 T320 R332A298-Y302 PolarHBondContact O-N 2.95Å; E299-Y302 WeakPolarHBondContact O-CB 3.36Å; E299-Y302 PolarHBondContact O-N 2.92Å; E300-Y302 PolarHBondContact O-N 2.84Å; Y302-K306 HydrophobicContact CE1-CD 4.41Å; Y302-I317 HydrophobicContact CD2-CG2 4.36Å; Y302-T320 HydrophobicContact CD2-CG2 4.18Å; Y302-R332 HydrophobicContact CD1-CB 4.03Å; Y302-R332 VanDerWaalsContact CD1-CD 3.4Å; Y302-R332 HydrophobicContact CD1-CG 4.33Å; Y302-R332 HydrophobicContact CD2-CB 3.84Å; Y302-R332 HydrophobicContact CE1-CB 3.97Å; Y302-R332 HydrophobicContact CE1-CG 4.43Å; Y302-R332 HydrophobicContact CE2-CB 3.8Å; Y302-R332 HydrophobicContact CG-CB 3.96Å
303Q73.1Confident66.1Low88 Ų8862.6 Ų62.641%0.41133%0.327SS..Hα-helixtrans-72.7-47176.5-59.2-95.256.500110.8E299 E300 M305 K306E299-Q303 VanDerWaalsContact O-CG 3.23Å; E299-Q303 WeakPolarHBondContact O-CG 3.24Å; E299-Q303 PolarHBondContact O-N 3.09Å; E299-Q303 VanDerWaalsContact O-N 3.11Å; E300-Q303 WeakPolarHBondContact O-CB 3.2Å; E300-Q303 PolarHBondContact O-N 3.43Å; Q303-M305 PolarHBondContact O-N 2.9Å; Q303-K306 WeakPolarHBondContact O-CB 3.45Å; Q303-K306 PolarHBondContact O-N 3.38Å; Q303-K306 VanDerWaalsContact O-N 3.11Å
304L70.1Confident65.6Low44 Ų4461.2 Ų61.223%0.2332%0.323CS..Hα-helixtrans-63.5-42.6-179.5-72.3162.2000112.5A247 I248 E300 K306 Q307 S308A247-L304 HydrophobicContact CB-CD1 3.84Å; A247-L304 HydrophobicContact CB-CD2 4.37Å; I248-L304 HydrophobicContact CD1-CD1 3.78Å; I248-L304 HydrophobicContact CG1-CD1 3.51Å; E300-L304 WeakPolarHBondContact O-CG 3.31Å; E300-L304 PolarHBondContact O-N 3.31Å; L304-K306 PolarHBondContact O-N 3.39Å; L304-Q307 PolarHBondContact O-N 3.29Å; L304-S308 PolarHBondContact O-N 3.24Å
305M64.5Low65.1Low40 Ų4061 Ų6120%0.19732%0.322CS..Hα-helixtrans-71.1-6.4175.5-101.8-107.6-172.500114.6F227 F240 T301 Q303 I317F227-M305 HydrophobicContact CE1-CE 4.09Å; F240-M305 HydrophobicContact CD2-CE 3.85Å; F240-M305 HydrophobicContact CE2-CE 3.39Å; F240-M305 HydrophobicContact CE2-CG 4.27Å; F240-M305 HydrophobicContact CZ-CE 4.19Å; T301-M305 PolarHBondContact O-N 3.31Å; Q303-M305 PolarHBondContact O-N 2.9Å; M305-I317 HydrophobicContact CB-CD1 3.75Å; M305-I317 HydrophobicContact CE-CD1 4.17Å; M305-I317 HydrophobicContact CE-CG1 4.29Å; M305-I317 HydrophobicContact CG-CD1 3.47Å; M305-I317 VanDerWaalsContact CG-CD1 3.47Å; M305-I317 HydrophobicContact CG-CG1 4.25Å; M305-I317 HydrophobicContact SD-CD1 3.68Å; M305-I317 HydrophobicContact SD-CG1 3.78Å
306K61.9Low64.8Low148 Ų14867.7 Ų67.764%0.64334%0.34SS*.Hα-helixtrans-82.1-21.2164.4-88.5-173.8164.1-164.90113.4Y302 Q303 L304Y302-K306 HydrophobicContact CE1-CD 4.41Å; Q303-K306 WeakPolarHBondContact O-CB 3.45Å; Q303-K306 PolarHBondContact O-N 3.38Å; Q303-K306 VanDerWaalsContact O-N 3.11Å; L304-K306 PolarHBondContact O-N 3.39Å
307Q57.5Low64.7Low164 Ų16464.4 Ų64.477%0.76633%0.325SS*.Hα-helixtrans-101.6-17-172.8-67.4174.7-30.700112.9L304L304-Q307 PolarHBondContact O-N 3.29Å
308S51.2Low64.7Low20 Ų2067.1 Ų67.114%0.1434%0.339CS..  trans-132.8119.3-177.3162.60000111.8L304 I310L304-S308 PolarHBondContact O-N 3.24Å; S308-I310 VanDerWaalsContact C-N 3.25Å; S308-I310 VanDerWaalsContact OG-CB 3.32Å; S308-I310 WeakPolarHBondContact OG-CB 3.33Å; S308-I310 WeakPolarHBondContact OG-CG1 3.27Å; S308-I310 PolarHBondContact OG-N 3.41Å
309P55.6Low64.6Low112 Ų11268.1 Ų68.173%0.72734%0.344SS*.  trans-85.65.3164.836-35.4000112.8V311P309-V311 PolarHBondContact O-N 2.95Å
310I53Low64.8Low138 Ų13865.6 Ų65.671%0.70833%0.332SS*.THydrogen-bonded Turntrans-70.7-36-157.5-58.3172.2000112.6S308S308-I310 VanDerWaalsContact C-N 3.25Å; S308-I310 VanDerWaalsContact OG-CB 3.32Å; S308-I310 WeakPolarHBondContact OG-CB 3.33Å; S308-I310 WeakPolarHBondContact OG-CG1 3.27Å; S308-I310 PolarHBondContact OG-N 3.41Å
311V55.5Low65.2Low27 Ų2763.1 Ų63.116%0.16432%0.321CS..THydrogen-bonded Turntrans-88.4-18.7-163.5-161.80000113.6F240 F243 P309F240-V311 HydrophobicContact CB-CG1 4.07Å; F240-V311 HydrophobicContact CD2-CB 4.4Å; F240-V311 HydrophobicContact CD2-CG1 4.04Å; F243-V311 HydrophobicContact CB-CG1 4.19Å; F243-V311 HydrophobicContact CB-CG2 4.05Å; F243-V311 HydrophobicContact CD1-CG2 3.95Å; F243-V311 HydrophobicContact CD2-CG2 3.71Å; F243-V311 HydrophobicContact CE1-CG2 4.35Å; F243-V311 HydrophobicContact CE2-CG2 4.13Å; F243-V311 HydrophobicContact CG-CG2 3.61Å; F243-V311 HydrophobicContact CZ-CG2 4.43Å; P309-V311 PolarHBondContact O-N 2.95Å
312A54.9Low65.4Low12 Ų1264 Ų6410%0.09933%0.326CS..  trans-152.888.7177.700000111.9M236 N314 A315M236-A312 HydrophobicContact CG-CB 4.44Å; M236-A312 HydrophobicContact SD-CB 4.13Å; A312-N314 PolarHBondContact O-N 3.06Å; A312-A315 HydrophobicContact CB-CB 3.93Å; A312-A315 PolarHBondContact O-N 3.23Å; A312-A315 VanDerWaalsContact O-N 3.14Å
313P57.8Low65.3Low112 Ų11263.3 Ų63.373%0.72733%0.326SS*.THydrogen-bonded Turntrans-55.5-21.1-174.5-28.735.3000115.6
314N59.1Low65Low102 Ų10263.7 Ų63.755%0.54533%0.326SS..THydrogen-bonded Turntrans-114.6-6.3-175.1-79.8-72.8000114.9R229 A312R229-N314 WeakPolarHBondContact CD-O 3.23Å; R229-N314 PolarHBondContact NH1-OD1 3.23Å; A312-N314 PolarHBondContact O-N 3.06Å
315A59Low64.8Low10 Ų1063 Ų638%0.08333%0.33CS..  trans-121.2115.2-173.700000111.3F227 N228 A312F227-A315 HydrophobicContact CD1-CB 4.06Å; N228-A315 WeakPolarHBondContact OD1-CA 3.06Å; A312-A315 HydrophobicContact CB-CB 3.93Å; A312-A315 PolarHBondContact O-N 3.23Å; A312-A315 VanDerWaalsContact O-N 3.14Å
316R66.2Low64.5Low185 Ų18569.1 Ų69.170%0.69836%0.358SS*.  trans-102.6135.8174.2-68.5-174.5178.6-176.8-1.8110.2F227 N228F227-R316 CarbonylContact C-O 3.51Å; F227-R316 WeakPolarHBondContact CA-O 3.22Å; N228-R316 PolarHBondContact N-O 2.89Å; N228-R316 PolarHBondContact OD1-N 3.31Å
317I70.7Confident64.3Low16 Ų1667 Ų678%0.08235%0.354CS..EExtended strand (participates in β ladder)trans-65.1131.3167.5-65.5178.5000109.1I225 R226 F227 F240 T301 Y302 M305 T320I225-I317 HydrophobicContact CG2-CB 4.47Å; I225-I317 HydrophobicContact CG2-CD1 3.46Å; I225-I317 VanDerWaalsContact CG2-CD1 3.46Å; I225-I317 HydrophobicContact CG2-CG1 3.59Å; I225-I317 HydrophobicContact CG2-CG2 4.12Å; R226-I317 WeakPolarHBondContact O-CA 3.21Å; F227-I317 HydrophobicContact CD1-CG1 3.99Å; F227-I317 HydrophobicContact CE1-CD1 4.36Å; F227-I317 HydrophobicContact CE1-CG1 3.67Å; F227-I317 HydrophobicContact CZ-CG1 4.17Å; F240-I317 HydrophobicContact CZ-CD1 4.46Å; T301-I317 HydrophobicContact CG2-CD1 4.46Å; Y302-I317 HydrophobicContact CD2-CG2 4.36Å; M305-I317 HydrophobicContact CB-CD1 3.75Å; M305-I317 HydrophobicContact CE-CD1 4.17Å; M305-I317 HydrophobicContact CE-CG1 4.29Å; M305-I317 HydrophobicContact CG-CD1 3.47Å; M305-I317 VanDerWaalsContact CG-CD1 3.47Å; M305-I317 HydrophobicContact CG-CG1 4.25Å; M305-I317 HydrophobicContact SD-CD1 3.68Å; M305-I317 HydrophobicContact SD-CG1 3.78Å; I317-T320 HydrophobicContact CG2-CG2 3.87Å
318I73Confident64.8Low57 Ų5764.3 Ų64.329%0.29234%0.337SS..EExtended strand (participates in β ladder)trans-93.5-36.9171.7-65.8177000110.1R226 N228 M334R226-I318 PolarHBondContact O-N 2.96Å; N228-I318 HydrophobicContact CB-CD1 3.93Å; N228-I318 HydrophobicContact CB-CG1 4.14Å; I318-M334 WeakPolarHBondContact O-CB 3.4Å; I318-M334 PolarHBondContact O-N 2.89Å
319E75.4Confident65.7Low21 Ų2169.5 Ų69.510%0.09835%0.354CS..EExtended strand (participates in β ladder)trans-160.1139.8-163.6176.1-169.3151.700110.2Y224 R226 P330 R332Y224-E319 HydrophobicContact CE2-CG 4.23Å; Y224-E319 VanDerWaalsContact CE2-OE1 3.28Å; Y224-E319 WeakPolarHBondContact CE2-OE1 3.41Å; Y224-E319 PolarHBondContact OH-OE1 2.84Å; R226-E319 HydrophobicContact CB-CB 4.24Å; R226-E319 IonicContact CZ-OE1 2.88Å; R226-E319 IonicContact CZ-OE2 3.95Å; R226-E319 PolarHBondContact N-O 2.92Å; R226-E319 IonicContact NE-OE2 2.92Å; R226-E319 VanDerWaalsContact NH1-CD 3.27Å; R226-E319 IonicContact NH1-OE1 3.3Å; R226-E319 PolarHBondContact NH1-OE1 3.19Å; R226-E319 VanDerWaalsContact NH1-OE1 3.14Å; R226-E319 IonicContact NH1-OE2 3.39Å; R226-E319 PolarHBondContact NH1-OE2 2.71Å; E319-P330 HydrophobicContact CG-CB 3.94Å; E319-R332 VanDerWaalsContact CA-O 3.32Å; E319-R332 WeakPolarHBondContact CA-O 3.31Å
320T80.5Confident66.2Low0 Ų067.8 Ų67.80%034%0.343CS..EExtended strand (participates in β ladder)trans-125.3150.8165.860.60000109.8Y224 I225 A298 Y302 I317 T331 R332Y224-T320 WeakPolarHBondContact O-CA 3.45Å; I225-T320 HydrophobicContact CG1-CG2 4.15Å; I225-T320 HydrophobicContact CG2-CG2 4.25Å; A298-T320 WeakPolarHBondContact O-CB 3.48Å; A298-T320 PolarHBondContact O-OG1 2.71Å; Y302-T320 HydrophobicContact CD2-CG2 4.18Å; I317-T320 HydrophobicContact CG2-CG2 3.87Å; T320-T331 PolarHBondContact O-N 2.7Å; T320-R332 PolarHBondContact N-O 2.86Å; T320-R332 VanDerWaalsContact N-O 3.15Å; T320-R332 PolarHBondContact O-N 2.81Å
321G81.1Confident66.8Low0 Ų063.8 Ų63.80%033%0.325CS..EExtended strand (participates in β ladder)trans-169.4-174.8178.200000114Y224 Y329Y224-G321 WeakPolarHBondContact CD1-O 3.22Å; Y224-G321 VanDerWaalsContact CE1-CA 3.42Å; Y224-G321 PolarHBondContact N-O 2.71Å; Y224-G321 PolarHBondContact O-N 3.48Å; G321-Y329 WeakPolarHBondContact CA-O 3.41Å
322V79.8Confident66.9Low19 Ų1966.3 Ų66.312%0.11533%0.332CS..EExtended strand (participates in β ladder)trans-105.9132.8173.8-175.10000108.9D221 R222 A294 Y329D221-V322 HydrophobicContact CB-CG1 4.07Å; R222-V322 CarbonylContact O-C 3.6Å; R222-V322 WeakPolarHBondContact O-CA 3.28Å; A294-V322 HydrophobicContact CB-CG1 4.35Å; A294-V322 HydrophobicContact CB-CG2 4.24Å; V322-Y329 PolarHBondContact N-O 2.9Å; V322-Y329 PolarHBondContact O-N 3.34Å
323A71Confident67Low14 Ų1467.9 Ų67.912%0.11634%0.342CS..EExtended strand (participates in β ladder)trans-110.9137.2176.200000110.4R222 Y224 D327 R328R222-A323 PolarHBondContact N-O 2.7Å; R222-A323 PolarHBondContact O-N 3.02Å; Y224-A323 HydrophobicContact CD1-CB 3.86Å; A323-D327 WeakPolarHBondContact CA-O 3.45Å; A323-R328 HydrophobicContact CB-CG 4.44Å
324K67.4Low66.6Low96 Ų9667.9 Ų67.942%0.41733%0.333SS..EExtended strand (participates in β ladder)trans-137.489.7-178.1-158-178-167.687.10109.1D221 D327 Y329D221-K324 WeakPolarHBondContact OD1-CD 3.27Å; D221-K324 WeakPolarHBondContact OD1-CG 3.1Å; D221-K324 IonicContact OD1-NZ 2.63Å; D221-K324 PolarHBondContact OD1-NZ 3.14Å; D221-K324 IonicContact OD2-NZ 3.76Å; D221-K324 PolarHBondContact OD2-NZ 3.29Å; D221-K324 VanDerWaalsContact OD2-NZ 3.09Å; K324-D327 PolarHBondContact N-O 3.22Å; K324-Y329 HydrophobicContact CB-CE2 4.29Å
325G66.1Low66.3Low31 Ų3171 Ų7132%0.3235%0.345SS..THydrogen-bonded Turntrans73.6-127.2-166.400000111.3
326E58.9Low65.8Low167 Ų16777 Ų7778%0.7838%0.375SS*.THydrogen-bonded Turntrans-82.1-23.3173.4-63.6-169.1139.200112.9
327D57.1Low65.1Low103 Ų10370.7 Ų70.755%0.55137%0.368SS*.EExtended strand (participates in β ladder)trans-71.3141.4-178.6-78.1-40.7000112.3A323 K324 Y329A323-D327 WeakPolarHBondContact CA-O 3.45Å; K324-D327 PolarHBondContact N-O 3.22Å; D327-Y329 HydrophobicContact CB-CE2 4.09Å
328R66.8Low64.5Low108 Ų10877.5 Ų77.541%0.40840%0.397SS..EExtended strand (participates in β ladder)trans-135.5123.8-172.5-65.1162.6-178.4-124.3-7.3110.5Y224 E265 A323 P330Y224-R328 HydrophobicContact CE1-CB 3.9Å; Y224-R328 HydrophobicContact CE1-CG 4.3Å; E265-R328 IonicContact OE1-CZ 3.23Å; E265-R328 IonicContact OE1-NH1 2.74Å; E265-R328 PolarHBondContact OE1-NH1 2.86Å; E265-R328 IonicContact OE1-NH2 3.8Å; E265-R328 PolarHBondContact OE1-NH2 2.85Å; E265-R328 IonicContact OE2-CZ 2.8Å; E265-R328 IonicContact OE2-NH1 3.91Å; E265-R328 PolarHBondContact OE2-NH1 3.49Å; A323-R328 HydrophobicContact CB-CG 4.44Å; R328-P330 WeakPolarHBondContact O-CD 3.2Å
329Y71.2Confident63.8Low129 Ų12981.1 Ų81.151%0.50642%0.417SS..EExtended strand (participates in β ladder)trans-114.396-177.4-53.5-71.7000109.2G321 V322 K324 D327 T331G321-Y329 WeakPolarHBondContact CA-O 3.41Å; V322-Y329 PolarHBondContact N-O 2.9Å; V322-Y329 PolarHBondContact O-N 3.34Å; K324-Y329 HydrophobicContact CB-CE2 4.29Å; D327-Y329 HydrophobicContact CB-CE2 4.09Å; Y329-T331 PolarHBondContact O-N 3.41Å
330P65.8Low63.3Low76 Ų7687.5 Ų87.549%0.49444%0.44SS..EExtended strand (participates in β ladder)trans-66.2122.3179.525.9-33.4000110.1Y224 E319 R328Y224-P330 WeakPolarHBondContact OH-CA 3.4Å; E319-P330 HydrophobicContact CG-CB 3.94Å; R328-P330 WeakPolarHBondContact O-CD 3.2Å
331T65Low63.1Low55 Ų5591 Ų9134%0.33746%0.458SS..EExtended strand (participates in β ladder)trans-80.1-40.1174.9-430000109.8E299 T320 Y329E299-T331 HydrophobicContact CB-CG2 4.34Å; E299-T331 WeakPolarHBondContact OE2-CG2 3.25Å; T320-T331 PolarHBondContact O-N 2.7Å; Y329-T331 PolarHBondContact O-N 3.41Å
332R58.9Low62.9Low80 Ų8094.6 Ų94.630%0.30248%0.481SS..EExtended strand (participates in β ladder)trans-142.7144.9168.9-68.7-173.8177.8-163.4-3112.2E299 Y302 E319 T320E299-R332 VanDerWaalsContact CD-NE 3.27Å; E299-R332 IonicContact OE1-CZ 3.57Å; E299-R332 IonicContact OE1-NE 2.69Å; E299-R332 PolarHBondContact OE1-NE 2.73Å; E299-R332 IonicContact OE1-NH2 3.71Å; E299-R332 PolarHBondContact OE1-NH2 2.66Å; E299-R332 IonicContact OE2-CZ 3.73Å; E299-R332 IonicContact OE2-NE 3.88Å; E299-R332 PolarHBondContact OE2-NE 2.93Å; Y302-R332 HydrophobicContact CD1-CB 4.03Å; Y302-R332 VanDerWaalsContact CD1-CD 3.4Å; Y302-R332 HydrophobicContact CD1-CG 4.33Å; Y302-R332 HydrophobicContact CD2-CB 3.84Å; Y302-R332 HydrophobicContact CE1-CB 3.97Å; Y302-R332 HydrophobicContact CE1-CG 4.43Å; Y302-R332 HydrophobicContact CE2-CB 3.8Å; Y302-R332 HydrophobicContact CG-CB 3.96Å; E319-R332 VanDerWaalsContact CA-O 3.32Å; E319-R332 WeakPolarHBondContact CA-O 3.31Å; T320-R332 PolarHBondContact N-O 2.86Å; T320-R332 VanDerWaalsContact N-O 3.15Å; T320-R332 PolarHBondContact O-N 2.81Å
333S55.3Low62.9Low44 Ų4498.5 Ų98.531%0.30851%0.505SS..EExtended strand (participates in β ladder)trans-134.2148175.8164.40000110.3E335S333-E335 VanDerWaalsContact C-N 3.31Å; S333-E335 PolarHBondContact O-N 3.18Å
334M51.4Low63.5Low112 Ų112102.3 Ų102.355%0.55252%0.523SS*.SBendtrans-80.76.8-175.3-159.2171.264.600115.2I318 N336I318-M334 WeakPolarHBondContact O-CB 3.4Å; I318-M334 PolarHBondContact O-N 2.89Å; M334-N336 PolarHBondContact O-N 2.83Å
335E51.8Low64.5Low169 Ų169102.4 Ų102.479%0.7953%0.527SS*.THydrogen-bonded Turntrans-69.9-20.6-167-77.9-168.7109.200117.5S333 G337S333-E335 VanDerWaalsContact C-N 3.31Å; S333-E335 PolarHBondContact O-N 3.18Å; E335-G337 PolarHBondContact O-N 2.59Å
336N49.1Very low65.7Low134 Ų134105 Ų10572%0.71754%0.536SS*.THydrogen-bonded Turntrans-778.9-168.1-78.1-41.9000116.3M334 K338M334-N336 PolarHBondContact O-N 2.83Å; N336-K338 PolarHBondContact O-N 2.85Å
337G51.8Low67.2Low53 Ų53100.5 Ų100.555%0.54652%0.523SS..THydrogen-bonded Turntrans-67.415.9-174.900000117.7E335 W340E335-G337 PolarHBondContact O-N 2.59Å; G337-W340 PolarHBondContact O-NE1 2.97Å
338K57.4Low69Low159 Ų159101 Ų10169%0.69153%0.525SS*.THydrogen-bonded Turntrans-127.5-7-177.6-69.7179.2-178.2170.80115.6N336 W340 I341N336-K338 PolarHBondContact O-N 2.85Å; K338-W340 PolarHBondContact O-N 3.18Å; K338-W340 VanDerWaalsContact O-N 3.14Å; K338-I341 HydrophobicContact CB-CD1 4.15Å; K338-I341 HydrophobicContact CG-CD1 4.21Å; K338-I341 PolarHBondContact O-N 3.26Å
339L59.1Low70.3Confident134 Ų134101.4 Ų101.470%0.70254%0.535SS*.THydrogen-bonded Turntrans-65.5-18.3-175-12185.2000114.7P342L339-P342 WeakPolarHBondContact O-CD 3.41Å; L339-P342 WeakPolarHBondContact O-CG 3.5Å
340W63.8Low71.4Confident155 Ų155100.7 Ų100.759%0.58754%0.539SS*.Hα-helixtrans-78.4-21.2-179.956.2-84.9000113.7G337 K338 V343 L344G337-W340 PolarHBondContact O-NE1 2.97Å; K338-W340 PolarHBondContact O-N 3.18Å; K338-W340 VanDerWaalsContact O-N 3.14Å; W340-V343 WeakPolarHBondContact O-CB 3.44Å; W340-V343 PolarHBondContact O-N 2.79Å; W340-V343 VanDerWaalsContact O-N 3.16Å; W340-L344 HydrophobicContact CE3-CD1 3.54Å; W340-L344 HydrophobicContact CE3-CG 4.28Å; W340-L344 HydrophobicContact CZ3-CD1 3.54Å; W340-L344 PolarHBondContact O-N 2.68Å
341I75.7Confident72.8Confident74 Ų74102 Ų10238%0.37954%0.542SS..Hα-helixtrans-58.4-52.1-179.6-60.2172.7000112.2K338 V343 L344 I345K338-I341 HydrophobicContact CB-CD1 4.15Å; K338-I341 HydrophobicContact CG-CD1 4.21Å; K338-I341 PolarHBondContact O-N 3.26Å; I341-V343 VanDerWaalsContact C-N 3.26Å; I341-V343 PolarHBondContact O-N 2.73Å; I341-L344 PolarHBondContact O-N 2.93Å; I341-I345 HydrophobicContact CG2-CD1 4.07Å; I341-I345 WeakPolarHBondContact O-CG1 3.38Å; I341-I345 PolarHBondContact O-N 3.25Å; I341-I345 VanDerWaalsContact O-N 3.13Å
342P77.8Confident74.2Confident74 Ų74104 Ų10448%0.48155%0.548SS..Hα-helixtrans-63.3-30175.624.4-34.9000113.3L339 I345 V346L339-P342 WeakPolarHBondContact O-CD 3.41Å; L339-P342 WeakPolarHBondContact O-CG 3.5Å; P342-I345 PolarHBondContact O-N 2.71Å; P342-V346 WeakPolarHBondContact O-CG2 3.1Å; P342-V346 PolarHBondContact O-N 3.16Å
343V79Confident75.9Confident102 Ų102102.4 Ų102.462%0.61855%0.552SS**Hα-helixtrans-67.5-43.3177.7-176.50000110.9W340 I341 V346 S347W340-V343 WeakPolarHBondContact O-CB 3.44Å; W340-V343 PolarHBondContact O-N 2.79Å; W340-V343 VanDerWaalsContact O-N 3.16Å; I341-V343 VanDerWaalsContact C-N 3.26Å; I341-V343 PolarHBondContact O-N 2.73Å; V343-V346 PolarHBondContact O-N 3.38Å; V343-S347 WeakPolarHBondContact O-CB 3.26Å; V343-S347 PolarHBondContact O-N 2.86Å
344L84.1Confident77.7Confident94 Ų94106 Ų10649%0.49257%0.567SS.*Hα-helixtrans-61.2-43.1172.4-78.5-178.6000112W340 I341 V346 S347 L348W340-L344 HydrophobicContact CE3-CD1 3.54Å; W340-L344 HydrophobicContact CE3-CG 4.28Å; W340-L344 HydrophobicContact CZ3-CD1 3.54Å; W340-L344 PolarHBondContact O-N 2.68Å; I341-L344 PolarHBondContact O-N 2.93Å; L344-V346 PolarHBondContact O-N 2.87Å; L344-S347 WeakPolarHBondContact O-CB 3.48Å; L344-S347 PolarHBondContact O-N 3.1Å; L344-L348 WeakPolarHBondContact O-CB 3.41Å; L344-L348 PolarHBondContact O-N 3.03Å
345I89.4Confident79.7Confident97 Ų97105 Ų10550%0.49756%0.563SS.*Hα-helixtrans-60.3-45.2179-67.8166.3000111I341 P342 L348 L349I341-I345 HydrophobicContact CG2-CD1 4.07Å; I341-I345 WeakPolarHBondContact O-CG1 3.38Å; I341-I345 PolarHBondContact O-N 3.25Å; I341-I345 VanDerWaalsContact O-N 3.13Å; P342-I345 PolarHBondContact O-N 2.71Å; I345-L348 PolarHBondContact O-N 3.49Å; I345-L349 HydrophobicContact CG2-CD1 4.07Å; I345-L349 VanDerWaalsContact O-CG 3.3Å; I345-L349 WeakPolarHBondContact O-CG 3.2Å; I345-L349 PolarHBondContact O-N 2.86Å
346V91.1Very high81.7Confident87 Ų87101.3 Ų101.353%0.52755%0.548SS..Hα-helixtrans-64.4-41.3176.6172.60000111.6P342 V343 L344 L349 L350P342-V346 WeakPolarHBondContact O-CG2 3.1Å; P342-V346 PolarHBondContact O-N 3.16Å; V343-V346 PolarHBondContact O-N 3.38Å; L344-V346 PolarHBondContact O-N 2.87Å; V346-L349 PolarHBondContact O-N 2.84Å; V346-L350 HydrophobicContact CG1-CD1 4.19Å; V346-L350 WeakPolarHBondContact O-CG 3.4Å; V346-L350 PolarHBondContact O-N 2.78Å; V346-L350 VanDerWaalsContact O-N 3.07Å
347S89.4Confident83.7Confident71 Ų7199.8 Ų99.850%0.49754%0.539SS..Hα-helixtrans-60.1-46.4175.9-1730000112.2V343 L344 L349 L350 L351V343-S347 WeakPolarHBondContact O-CB 3.26Å; V343-S347 PolarHBondContact O-N 2.86Å; L344-S347 WeakPolarHBondContact O-CB 3.48Å; L344-S347 PolarHBondContact O-N 3.1Å; S347-L349 PolarHBondContact O-N 3.03Å; S347-L350 PolarHBondContact O-N 3.13Å; S347-L351 PolarHBondContact O-N 3.48Å
348L94.2Very high85.7Confident113 Ų113104.6 Ų104.659%0.59255%0.545SS*.Hα-helixtrans-64.4-38.2179-122.9136.1000112.4L344 I345 L351 M352L344-L348 WeakPolarHBondContact O-CB 3.41Å; L344-L348 PolarHBondContact O-N 3.03Å; I345-L348 PolarHBondContact O-N 3.49Å; L348-L351 PolarHBondContact O-N 3.48Å; L348-M352 WeakPolarHBondContact O-CB 3.36Å; L348-M352 VanDerWaalsContact O-CG 3.3Å; L348-M352 WeakPolarHBondContact O-CG 3.47Å; L348-M352 PolarHBondContact O-N 2.85Å
349L94.7Very high87.2Confident118 Ų11899.6 Ų99.662%0.61853%0.534SS*.Hα-helixtrans-65.3-40.1175-72.3169.1000112.3I345 V346 S347 A353I345-L349 HydrophobicContact CG2-CD1 4.07Å; I345-L349 VanDerWaalsContact O-CG 3.3Å; I345-L349 WeakPolarHBondContact O-CG 3.2Å; I345-L349 PolarHBondContact O-N 2.86Å; V346-L349 PolarHBondContact O-N 2.84Å; S347-L349 PolarHBondContact O-N 3.03Å; L349-A353 WeakPolarHBondContact O-CB 3.42Å; L349-A353 PolarHBondContact O-N 3.12Å
350L94.7Very high88.5Confident114 Ų11497.3 Ų97.360%0.59752%0.521SS*.Hα-helixtrans-66-42.5174.8-73.2168.3000112V346 S347 A353 L354V346-L350 HydrophobicContact CG1-CD1 4.19Å; V346-L350 WeakPolarHBondContact O-CG 3.4Å; V346-L350 PolarHBondContact O-N 2.78Å; V346-L350 VanDerWaalsContact O-N 3.07Å; S347-L350 PolarHBondContact O-N 3.13Å; L350-A353 PolarHBondContact O-N 3.14Å; L350-L354 PolarHBondContact O-N 2.81Å; L350-L354 VanDerWaalsContact O-N 3.08Å
351L94.8Very high89.5Confident104 Ų10497.2 Ų97.255%0.54552%0.521SS..Hα-helixtrans-61.6-45.2176.3-161.995.9000111.3S347 L348 A353 L354 I355S347-L351 PolarHBondContact O-N 3.48Å; L348-L351 PolarHBondContact O-N 3.48Å; L351-A353 VanDerWaalsContact C-N 3.35Å; L351-A353 PolarHBondContact O-N 2.84Å; L351-L354 PolarHBondContact O-N 2.87Å; L351-I355 HydrophobicContact CD2-CD1 4.12Å; L351-I355 HydrophobicContact CG-CD1 4.3Å; L351-I355 WeakPolarHBondContact O-CG1 3.49Å; L351-I355 PolarHBondContact O-N 3.49Å
352M94.9Very high89.9Confident95 Ų9595.5 Ų95.547%0.46852%0.518SS..Hα-helixtrans-62.6-38.9176-74.8-63.3-67.400112.5L348 I355 I356L348-M352 WeakPolarHBondContact O-CB 3.36Å; L348-M352 VanDerWaalsContact O-CG 3.3Å; L348-M352 WeakPolarHBondContact O-CG 3.47Å; L348-M352 PolarHBondContact O-N 2.85Å; M352-I355 PolarHBondContact O-N 3.49Å; M352-I355 HydrophobicContact SD-CD1 4.46Å; M352-I356 WeakPolarHBondContact O-CD1 3.38Å; M352-I356 VanDerWaalsContact O-CG1 3.28Å; M352-I356 WeakPolarHBondContact O-CG1 3.34Å; M352-I356 PolarHBondContact O-N 3.43Å
353A93.4Very high90.1Very high47 Ų4798.6 Ų98.639%0.38852%0.521SS..Hα-helixtrans-63-40.6175.500000112.4L349 L350 L351 I356 L357L349-A353 WeakPolarHBondContact O-CB 3.42Å; L349-A353 PolarHBondContact O-N 3.12Å; L350-A353 PolarHBondContact O-N 3.14Å; L351-A353 VanDerWaalsContact C-N 3.35Å; L351-A353 PolarHBondContact O-N 2.84Å; A353-I356 PolarHBondContact O-N 3.37Å; A353-L357 WeakPolarHBondContact O-CG 3.31Å; A353-L357 PolarHBondContact O-N 3.19Å
354L94.3Very high90.1Very high119 Ų119102.1 Ų102.162%0.62352%0.523SS*.Hα-helixtrans-64.1-43.3174-81.4167.1000112.3L350 L351 I356 L357 F358L350-L354 PolarHBondContact O-N 2.81Å; L350-L354 VanDerWaalsContact O-N 3.08Å; L351-L354 PolarHBondContact O-N 2.87Å; L354-I356 VanDerWaalsContact C-N 3.34Å; L354-I356 PolarHBondContact O-N 3.25Å; L354-L357 PolarHBondContact O-N 3.21Å; L354-F358 WeakPolarHBondContact O-CB 3.45Å; L354-F358 PolarHBondContact O-N 3.07Å
355I93.9Very high89.4Confident91 Ų91101.5 Ų101.547%0.46753%0.527SS..Hα-helixtrans-61.8-42.2176.7-68.1165.1000110.8L351 M352 F358 A359L351-I355 HydrophobicContact CD2-CD1 4.12Å; L351-I355 HydrophobicContact CG-CD1 4.3Å; L351-I355 WeakPolarHBondContact O-CG1 3.49Å; L351-I355 PolarHBondContact O-N 3.49Å; M352-I355 PolarHBondContact O-N 3.49Å; M352-I355 HydrophobicContact SD-CD1 4.46Å; I355-F358 PolarHBondContact O-N 2.89Å; I355-A359 WeakPolarHBondContact O-CB 3.31Å; I355-A359 PolarHBondContact O-N 3.31Å
356I93.1Very high88.4Confident92 Ų92107.5 Ų107.547%0.47254%0.543SS..Hα-helixtrans-65.1-42176.5-69164.4000111.3M352 A353 L354 A359 M360M352-I356 WeakPolarHBondContact O-CD1 3.38Å; M352-I356 VanDerWaalsContact O-CG1 3.28Å; M352-I356 WeakPolarHBondContact O-CG1 3.34Å; M352-I356 PolarHBondContact O-N 3.43Å; A353-I356 PolarHBondContact O-N 3.37Å; L354-I356 VanDerWaalsContact C-N 3.34Å; L354-I356 PolarHBondContact O-N 3.25Å; I356-A359 PolarHBondContact O-N 2.87Å; I356-M360 HydrophobicContact CG2-CE 4.38Å; I356-M360 WeakPolarHBondContact O-CB 3.34Å; I356-M360 WeakPolarHBondContact O-CG 3.35Å; I356-M360 PolarHBondContact O-N 3.03Å
357L91.9Very high87.1Confident102 Ų102112 Ų11253%0.53455%0.551SS.*Hα-helixtrans-60.8-44.8174.5-80.1163.5000111.9A353 L354 M360 Y361A353-L357 WeakPolarHBondContact O-CG 3.31Å; A353-L357 PolarHBondContact O-N 3.19Å; L354-L357 PolarHBondContact O-N 3.21Å; L357-M360 HydrophobicContact CD2-CE 3.91Å; L357-M360 PolarHBondContact O-N 3.41Å; L357-Y361 WeakPolarHBondContact O-CB 3.36Å; L357-Y361 PolarHBondContact O-N 3.42Å
358F92.3Very high85.3Confident154 Ų154115.2 Ų115.268%0.67556%0.563SS**Hα-helixtrans-65.4-41.7177.3-170.1-98.7000112L354 I355 Y361 A362L354-F358 WeakPolarHBondContact O-CB 3.45Å; L354-F358 PolarHBondContact O-N 3.07Å; I355-F358 PolarHBondContact O-N 2.89Å; F358-Y361 WeakPolarHBondContact O-CB 3.3Å; F358-Y361 PolarHBondContact O-N 2.91Å; F358-A362 WeakPolarHBondContact O-CB 3.19Å; F358-A362 PolarHBondContact O-N 2.9Å
359A89.7Confident82.7Confident55 Ų55113.1 Ų113.146%0.45557%0.568SS.*Hα-helixtrans-63-41.5174.800000112.2I355 I356 A362 Y363I355-A359 WeakPolarHBondContact O-CB 3.31Å; I355-A359 PolarHBondContact O-N 3.31Å; I356-A359 PolarHBondContact O-N 2.87Å; A359-A362 PolarHBondContact O-N 3.48Å; A359-Y363 VanDerWaalsContact O-CB 3.28Å; A359-Y363 WeakPolarHBondContact O-CB 3.26Å; A359-Y363 PolarHBondContact O-N 3.27Å
360M87Confident80Confident86 Ų86111.6 Ų111.642%0.42458%0.581SS.*Hα-helixtrans-63.9-38.5173.2-76.6-163-64.100112.7I356 L357 R364I356-M360 HydrophobicContact CG2-CE 4.38Å; I356-M360 WeakPolarHBondContact O-CB 3.34Å; I356-M360 WeakPolarHBondContact O-CG 3.35Å; I356-M360 PolarHBondContact O-N 3.03Å; L357-M360 HydrophobicContact CD2-CE 3.91Å; L357-M360 PolarHBondContact O-N 3.41Å; M360-R364 WeakPolarHBondContact O-CB 3.38Å; M360-R364 PolarHBondContact O-N 3.44Å
361Y84.2Confident77.4Confident152 Ų152115.4 Ų115.460%0.59659%0.592SS**Hα-helixtrans-64.3-49.9175.4179.6-96.9000111.1L357 F358 Y363 R364 S365L357-Y361 WeakPolarHBondContact O-CB 3.36Å; L357-Y361 PolarHBondContact O-N 3.42Å; F358-Y361 WeakPolarHBondContact O-CB 3.3Å; F358-Y361 PolarHBondContact O-N 2.91Å; Y361-Y363 VanDerWaalsContact C-N 3.34Å; Y361-Y363 PolarHBondContact O-N 2.9Å; Y361-R364 PolarHBondContact O-N 2.96Å; Y361-S365 WeakPolarHBondContact O-CB 3.36Å; Y361-S365 PolarHBondContact O-N 3.36Å
362A83.8Confident74.6Confident38 Ų38116.3 Ų116.331%0.31461%0.608SS.*Hα-helixtrans-60.8-39.9176.200000112.5F358 A359 S365 R366F358-A362 WeakPolarHBondContact O-CB 3.19Å; F358-A362 PolarHBondContact O-N 2.9Å; A359-A362 PolarHBondContact O-N 3.48Å; A362-S365 PolarHBondContact O-N 2.95Å; A362-R366 WeakPolarHBondContact O-CG 3.39Å; A362-R366 PolarHBondContact O-N 3.47Å
363Y82.2Confident71.8Confident139 Ų139119.4 Ų119.455%0.54562%0.619SS.*Hα-helixtrans-65.9-44.4175.8-179-96.2000112.2A359 Y361 S365 R366 R367A359-Y363 VanDerWaalsContact O-CB 3.28Å; A359-Y363 WeakPolarHBondContact O-CB 3.26Å; A359-Y363 PolarHBondContact O-N 3.27Å; Y361-Y363 VanDerWaalsContact C-N 3.34Å; Y361-Y363 PolarHBondContact O-N 2.9Å; Y363-S365 VanDerWaalsContact C-N 3.34Å; Y363-S365 PolarHBondContact O-N 3.45Å; Y363-R366 PolarHBondContact O-N 2.56Å; Y363-R367 WeakPolarHBondContact O-CB 3.25Å; Y363-R367 PolarHBondContact O-N 2.64Å; Y363-R367 PolarHBondContact OH-NH1 2.78Å
364R78.2Confident68.9Low176 Ų176128 Ų12866%0.66465%0.648SS**Hα-helixtrans-60.3-42.9172.3-81.9-176.9165122.2-3.9111.7M360 Y361 R366 R367 N368M360-R364 WeakPolarHBondContact O-CB 3.38Å; M360-R364 PolarHBondContact O-N 3.44Å; Y361-R364 PolarHBondContact O-N 2.96Å; R364-R366 VanDerWaalsContact C-N 3.31Å; R364-R366 PolarHBondContact O-N 3.28Å; R364-R367 PolarHBondContact O-N 3.29Å; R364-N368 PolarHBondContact O-N 3.23Å
365S71.4Confident66Low82 Ų82124.2 Ų124.257%0.57364%0.637SS**Hα-helixtrans-64.6-31.4177.5-168.20000113.1Y361 A362 Y363Y361-S365 WeakPolarHBondContact O-CB 3.36Å; Y361-S365 PolarHBondContact O-N 3.36Å; A362-S365 PolarHBondContact O-N 2.95Å; Y363-S365 VanDerWaalsContact C-N 3.34Å; Y363-S365 PolarHBondContact O-N 3.45Å
366R67.4Low63.1Low222 Ų222125.7 Ų125.784%0.83865%0.645SS**Hα-helixtrans-80.3-28174.4-75.6-177.8175.8-174.7-0.6113.6A362 Y363 R364A362-R366 WeakPolarHBondContact O-CG 3.39Å; A362-R366 PolarHBondContact O-N 3.47Å; Y363-R366 PolarHBondContact O-N 2.56Å; R364-R366 VanDerWaalsContact C-N 3.31Å; R364-R366 PolarHBondContact O-N 3.28Å
367R64.7Low60.2Low182 Ų182128 Ų12869%0.68766%0.658SS**Hα-helixtrans-78.3-23.4-178.2-167.5164175.4159.6-6113.4Y363 R364 G369Y363-R367 WeakPolarHBondContact O-CB 3.25Å; Y363-R367 PolarHBondContact O-N 2.64Å; Y363-R367 PolarHBondContact OH-NH1 2.78Å; R364-R367 PolarHBondContact O-N 3.29Å; R367-G369 VanDerWaalsContact C-N 3.34Å; R367-G369 PolarHBondContact O-N 3.09Å
368N51Low57.9Low139 Ų139127.2 Ų127.274%0.74366%0.661SS**SBendtrans-8570.8170.4-75.7-3.3000111.3R364R364-N368 PolarHBondContact O-N 3.23Å
369G39Very low55.4Low69 Ų69123.3 Ų123.371%0.71165%0.653SS**  trans-67.6153.3178.800000114.2R367R367-G369 VanDerWaalsContact C-N 3.34Å; R367-G369 PolarHBondContact O-N 3.09Å
370G37.8Very low53.2Low85 Ų85127 Ų12788%0.87666%0.664SS**SBendtrans90.518.6156.500000118.4
371K41.7Very low51.3Low194 Ų194125.1 Ų125.184%0.84367%0.667SS**SBendtrans-129.8139.1164.5-68-171.4179.3-177.60111.2F373K371-F373 PolarHBondContact O-N 3.42Å; K371-F373 VanDerWaalsContact O-N 3.16Å
372S34.3Very low49.8Very low124 Ų124123.2 Ų123.287%0.86766%0.663SS**  trans-66.2109.4-177.4420000111.2
373F37.4Very low49Very low159 Ų159127.4 Ų127.470%0.69767%0.674SS**  trans-129.631.1175.5-140.4-104.2000113.5K371 G375 I376K371-F373 PolarHBondContact O-N 3.42Å; K371-F373 VanDerWaalsContact O-N 3.16Å; F373-G375 PolarHBondContact O-N 2.9Å; F373-I376 HydrophobicContact CD1-CD1 4.02Å; F373-I376 HydrophobicContact CD1-CG1 3.81Å; F373-I376 HydrophobicContact CE1-CD1 3.93Å; F373-I376 HydrophobicContact CE1-CG1 3.61Å
374F32.1Very low48.3Very low229 Ų229125.2 Ų125.2100%1.00468%0.675SS**  trans-69.277.2154-97.3-91.4000108.2
375G32.8Very low48.1Very low38 Ų38120.8 Ų120.839%0.39267%0.667SS.*  trans-161.79.9-170.600000115F373 N377F373-G375 PolarHBondContact O-N 2.9Å; G375-N377 PolarHBondContact O-N 3.07Å
376I34.2Very low48.2Very low122 Ų122122.4 Ų122.463%0.62667%0.666SS**  trans-90.258.7171-46.2-179000108.8F373F373-I376 HydrophobicContact CD1-CD1 4.02Å; F373-I376 HydrophobicContact CD1-CG1 3.81Å; F373-I376 HydrophobicContact CE1-CD1 3.93Å; F373-I376 HydrophobicContact CE1-CG1 3.61Å
377N31.4Very low48.5Very low142 Ų142116.1 Ų116.176%0.75965%0.649SS**SBendtrans-146.8152.5172-90-32.4000108.2G375 S379G375-N377 PolarHBondContact O-N 3.07Å; N377-S379 PolarHBondContact O-N 3.17Å
378S43Very low48.9Very low85 Ų85115.1 Ų115.159%0.59465%0.647SS**SBendtrans52.5-49.3-175.878.10000118.5L380 G381 Q382S378-L380 PolarHBondContact O-N 3.28Å; S378-G381 PolarHBondContact O-N 2.92Å; S378-G381 VanDerWaalsContact O-N 3.16Å; S378-Q382 PolarHBondContact O-N 3.09Å; S378-Q382 PolarHBondContact OG-OE1 3.06Å
379S41.4Very low50.2Low71 Ų71113 Ų11350%0.49763%0.632SS.*Hα-helixtrans-60-42.4-161.660.40000115.7N377 K383N377-S379 PolarHBondContact O-N 3.17Å; S379-K383 WeakPolarHBondContact O-CB 3.28Å; S379-K383 PolarHBondContact O-N 3.35Å
380L43.5Very low51.9Low133 Ų133112.3 Ų112.370%0.69661%0.61SS**Hα-helixtrans-73-36179.2-169.363.9000112S378 K383 V384S378-L380 PolarHBondContact O-N 3.28Å; L380-K383 PolarHBondContact O-N 3.36Å; L380-V384 WeakPolarHBondContact O-CG2 3.31Å; L380-V384 PolarHBondContact O-N 3.44Å
381G45.6Very low53.6Low46 Ų46113.5 Ų113.547%0.47460%0.596SS.*Hα-helixtrans-65.4-49173.400000111.5S378 K383 V384 V385S378-G381 PolarHBondContact O-N 2.92Å; S378-G381 VanDerWaalsContact O-N 3.16Å; G381-K383 PolarHBondContact O-N 3.01Å; G381-V384 PolarHBondContact O-N 2.99Å; G381-V385 WeakPolarHBondContact O-CG2 3.29Å; G381-V385 PolarHBondContact O-N 2.9Å
382Q54Low54.9Low112 Ų112106.8 Ų106.852%0.52357%0.573SS.*Hα-helixtrans-59.2-35.1173.9-74.1-176.2-77.100112.2S378 V385 Q386S378-Q382 PolarHBondContact O-N 3.09Å; S378-Q382 PolarHBondContact OG-OE1 3.06Å; Q382-V385 PolarHBondContact O-N 2.83Å; Q382-Q386 VanDerWaalsContact O-CB 3.3Å; Q382-Q386 WeakPolarHBondContact O-CB 3.34Å; Q382-Q386 VanDerWaalsContact O-CG 3.27Å; Q382-Q386 WeakPolarHBondContact O-CG 3.5Å; Q382-Q386 PolarHBondContact O-N 2.9Å
383K66.4Low57Low126 Ų126106.7 Ų106.755%0.54855%0.554SS.*Hα-helixtrans-70.5-40.8176.9-165.2170.3-175.3179.90112.7S379 L380 G381 Q386 D387S379-K383 WeakPolarHBondContact O-CB 3.28Å; S379-K383 PolarHBondContact O-N 3.35Å; L380-K383 PolarHBondContact O-N 3.36Å; G381-K383 PolarHBondContact O-N 3.01Å; K383-Q386 PolarHBondContact O-N 3.3Å; K383-D387 WeakPolarHBondContact O-CB 3.23Å; K383-D387 PolarHBondContact O-N 3.28Å
384V67.9Low58.7Low94 Ų94106.4 Ų106.457%0.5755%0.548SS*.Hα-helixtrans-64.5-39.9172.9171.60000111.3L380 G381 D387 Y388L380-V384 WeakPolarHBondContact O-CG2 3.31Å; L380-V384 PolarHBondContact O-N 3.44Å; G381-V384 PolarHBondContact O-N 2.99Å; V384-D387 PolarHBondContact O-N 3.27Å; V384-Y388 VanDerWaalsContact O-CB 3.28Å; V384-Y388 WeakPolarHBondContact O-CB 3.4Å; V384-Y388 PolarHBondContact O-N 3.4Å
385V72.6Confident60.2Low82 Ų82103.5 Ų103.550%0.49754%0.537SS..Hα-helixtrans-65.2-42.3174.2172.30000111.3G381 Q382 Y388 E389G381-V385 WeakPolarHBondContact O-CG2 3.29Å; G381-V385 PolarHBondContact O-N 2.9Å; Q382-V385 PolarHBondContact O-N 2.83Å; V385-Y388 PolarHBondContact O-N 2.86Å; V385-E389 WeakPolarHBondContact O-CB 3.49Å; V385-E389 PolarHBondContact O-N 3.26Å
386Q73.4Confident61.3Low117 Ų117110 Ų11055%0.54756%0.56SS.*Hα-helixtrans-67.8-39.5176-77.8178.3-12.400112.9Q382 K383 Y388 E390Q382-Q386 VanDerWaalsContact O-CB 3.3Å; Q382-Q386 WeakPolarHBondContact O-CB 3.34Å; Q382-Q386 VanDerWaalsContact O-CG 3.27Å; Q382-Q386 WeakPolarHBondContact O-CG 3.5Å; Q382-Q386 PolarHBondContact O-N 2.9Å; K383-Q386 PolarHBondContact O-N 3.3Å; Q386-Y388 VanDerWaalsContact C-N 3.32Å; Q386-E390 WeakPolarHBondContact O-CB 3.23Å; Q386-E390 PolarHBondContact O-N 3.37Å
387D74.3Confident62.6Low90 Ų90108.2 Ų108.248%0.48156%0.557SS.*Hα-helixtrans-67.3-33.4174.3-76.6-34000111K383 V384 L391K383-D387 WeakPolarHBondContact O-CB 3.23Å; K383-D387 PolarHBondContact O-N 3.28Å; V384-D387 PolarHBondContact O-N 3.27Å; D387-L391 WeakPolarHBondContact O-CB 3.47Å; D387-L391 VanDerWaalsContact O-CG 3.31Å; D387-L391 WeakPolarHBondContact O-CG 3.04Å; D387-L391 PolarHBondContact O-N 3.26Å
388Y73.3Confident63.1Low161 Ų161103.3 Ų103.363%0.63154%0.541SS*.Hα-helixtrans-71.9-46.6173.1-175.1-98.9000112.5V384 V385 Q386 E390 L391 C392V384-Y388 VanDerWaalsContact O-CB 3.28Å; V384-Y388 WeakPolarHBondContact O-CB 3.4Å; V384-Y388 PolarHBondContact O-N 3.4Å; V385-Y388 PolarHBondContact O-N 2.86Å; Q386-Y388 VanDerWaalsContact C-N 3.32Å; Y388-E390 VanDerWaalsContact C-N 3.27Å; Y388-E390 PolarHBondContact O-N 3.48Å; Y388-L391 WeakPolarHBondContact O-CB 3.49Å; Y388-L391 PolarHBondContact O-N 2.94Å; Y388-C392 PolarHBondContact O-N 2.83Å; Y388-C392 PolarHBondContact O-SG 3.48Å; Y388-C392 VanDerWaalsContact O-SG 3.37Å
389E78.9Confident62.9Low93 Ų93108.8 Ų108.844%0.43555%0.554SS.*Hα-helixtrans-55.8-44.2170.8-84.6-173-154.600111.3V385 C392 R393V385-E389 WeakPolarHBondContact O-CB 3.49Å; V385-E389 PolarHBondContact O-N 3.26Å; E389-C392 PolarHBondContact O-N 3.41Å; E389-R393 WeakPolarHBondContact O-CB 3.42Å; E389-R393 PolarHBondContact O-N 2.85Å; E389-R393 IonicContact OE2-CZ 3.99Å; E389-R393 IonicContact OE2-NH2 2.87Å; E389-R393 PolarHBondContact OE2-NH2 3.35Å
390E74.2Confident62.8Low55 Ų55111.3 Ų111.326%0.25757%0.566SS.*Hα-helixtrans-71.2-31.7-179.8-177.962.4-171.200111.7Q386 Y388 R393 R394Q386-E390 WeakPolarHBondContact O-CB 3.23Å; Q386-E390 PolarHBondContact O-N 3.37Å; Y388-E390 VanDerWaalsContact C-N 3.27Å; Y388-E390 PolarHBondContact O-N 3.48Å; E390-R393 WeakPolarHBondContact OE2-CD 3.42Å; E390-R393 IonicContact OE2-CZ 3.81Å; E390-R393 IonicContact OE2-NH1 2.81Å; E390-R393 PolarHBondContact OE2-NH1 3.24Å; E390-R394 VanDerWaalsContact CG-CZ 3.46Å; E390-R394 VanDerWaalsContact CG-NH2 3.3Å; E390-R394 VanDerWaalsContact O-CB 3.24Å; E390-R394 WeakPolarHBondContact O-CB 3.46Å; E390-R394 WeakPolarHBondContact O-CD 3.23Å; E390-R394 WeakPolarHBondContact O-CG 3.22Å; E390-R394 PolarHBondContact O-N 2.86Å; E390-R394 IonicContact OE1-CZ 2.72Å; E390-R394 IonicContact OE1-NE 2.81Å; E390-R394 PolarHBondContact OE1-NE 3.49Å; E390-R394 IonicContact OE1-NH2 3.18Å; E390-R394 PolarHBondContact OE1-NH2 3.31Å
391L72.5Confident62.4Low110 Ų110116.5 Ų116.558%0.57658%0.576SS**Hα-helixtrans-64-48167.3-86.2163.6000111.7D387 Y388 R394 H395D387-L391 WeakPolarHBondContact O-CB 3.47Å; D387-L391 VanDerWaalsContact O-CG 3.31Å; D387-L391 WeakPolarHBondContact O-CG 3.04Å; D387-L391 PolarHBondContact O-N 3.26Å; Y388-L391 WeakPolarHBondContact O-CB 3.49Å; Y388-L391 PolarHBondContact O-N 2.94Å; L391-R394 CarbonylContact O-C 3.58Å; L391-R394 PolarHBondContact O-N 2.97Å; L391-H395 PolarHBondContact O-N 2.76Å
392C70.7Confident62Low53 Ų53117.9 Ų117.936%0.35857%0.572SS.*Hα-helixtrans-61.9-43.6175.3-68.90000111.5Y388 E389 R394 H395 M396Y388-C392 PolarHBondContact O-N 2.83Å; Y388-C392 PolarHBondContact O-SG 3.48Å; Y388-C392 VanDerWaalsContact O-SG 3.37Å; E389-C392 PolarHBondContact O-N 3.41Å; C392-R394 VanDerWaalsContact C-N 3.33Å; C392-R394 PolarHBondContact O-N 3.1Å; C392-H395 PolarHBondContact O-N 3.4Å; C392-H395 VanDerWaalsContact O-N 3.15Å; C392-M396 WeakPolarHBondContact O-CB 3.31Å; C392-M396 VanDerWaalsContact O-CG 3.24Å; C392-M396 WeakPolarHBondContact O-CG 3.47Å; C392-M396 PolarHBondContact O-N 2.72Å
393R78.3Confident61.3Low123 Ų123117 Ų11746%0.46458%0.576SS.*Hα-helixtrans-62.5-37.3175.8-167179.7-63.2118.82.3111.3E389 E390 S397E389-R393 WeakPolarHBondContact O-CB 3.42Å; E389-R393 PolarHBondContact O-N 2.85Å; E389-R393 IonicContact OE2-CZ 3.99Å; E389-R393 IonicContact OE2-NH2 2.87Å; E389-R393 PolarHBondContact OE2-NH2 3.35Å; E390-R393 WeakPolarHBondContact OE2-CD 3.42Å; E390-R393 IonicContact OE2-CZ 3.81Å; E390-R393 IonicContact OE2-NH1 2.81Å; E390-R393 PolarHBondContact OE2-NH1 3.24Å; R393-S397 VanDerWaalsContact O-CB 3.28Å; R393-S397 WeakPolarHBondContact O-CB 3.46Å; R393-S397 PolarHBondContact O-N 2.83Å; R393-S397 PolarHBondContact O-OG 3.17Å
394R71.5Confident60.1Low153 Ų153119.1 Ų119.158%0.57759%0.588SS**Hα-helixtrans-74-29.3172.4-75169.8-169.3172.98.5113.7E390 L391 C392 G398E390-R394 VanDerWaalsContact CG-CZ 3.46Å; E390-R394 VanDerWaalsContact CG-NH2 3.3Å; E390-R394 VanDerWaalsContact O-CB 3.24Å; E390-R394 WeakPolarHBondContact O-CB 3.46Å; E390-R394 WeakPolarHBondContact O-CD 3.23Å; E390-R394 WeakPolarHBondContact O-CG 3.22Å; E390-R394 PolarHBondContact O-N 2.86Å; E390-R394 IonicContact OE1-CZ 2.72Å; E390-R394 IonicContact OE1-NE 2.81Å; E390-R394 PolarHBondContact OE1-NE 3.49Å; E390-R394 IonicContact OE1-NH2 3.18Å; E390-R394 PolarHBondContact OE1-NH2 3.31Å; L391-R394 CarbonylContact O-C 3.58Å; L391-R394 PolarHBondContact O-N 2.97Å; C392-R394 VanDerWaalsContact C-N 3.33Å; C392-R394 PolarHBondContact O-N 3.1Å; R394-G398 WeakPolarHBondContact O-CA 3.43Å; R394-G398 PolarHBondContact O-N 3.49Å
395H64.6Low59.1Low168 Ų168120.1 Ų120.178%0.77860%0.596SS**Hα-helixtrans-70.1-42.9171.7-134.4104.5000110.8L391 C392 G398L391-H395 PolarHBondContact O-N 2.76Å; C392-H395 PolarHBondContact O-N 3.4Å; C392-H395 VanDerWaalsContact O-N 3.15Å; H395-G398 PolarHBondContact O-N 2.96Å
396M55.7Low57.6Low175 Ų175121.2 Ų121.286%0.86260%0.599SS**Hα-helixtrans-74.6-31.2179.8-66.6-75.7-98.400113.7C392C392-M396 WeakPolarHBondContact O-CB 3.31Å; C392-M396 VanDerWaalsContact O-CG 3.24Å; C392-M396 WeakPolarHBondContact O-CG 3.47Å; C392-M396 PolarHBondContact O-N 2.72Å
397S61.8Low56Low83 Ų83124.7 Ų124.758%0.5861%0.607SS**Hα-helixtrans-94-6.6173.562.80000113.8R393 K399R393-S397 VanDerWaalsContact O-CB 3.28Å; R393-S397 WeakPolarHBondContact O-CB 3.46Å; R393-S397 PolarHBondContact O-N 2.83Å; R393-S397 PolarHBondContact O-OG 3.17Å; S397-K399 PolarHBondContact O-N 2.84Å
398G41.1Very low54.6Low40 Ų40127 Ų12741%0.41262%0.619SS.*  trans-70.891.5-178.200000111.8R394 H395 V400R394-G398 WeakPolarHBondContact O-CA 3.43Å; R394-G398 PolarHBondContact O-N 3.49Å; H395-G398 PolarHBondContact O-N 2.96Å; G398-V400 PolarHBondContact O-N 2.89Å
399K38.4Very low53.3Low199 Ų199124.1 Ų124.187%0.86562%0.618SS**  trans-57.294.5176.1-69.4176.5-179.7173.50111.3S397 R401S397-K399 PolarHBondContact O-N 2.84Å; K399-R401 PolarHBondContact O-N 2.84Å; K399-R401 VanDerWaalsContact O-N 3.17Å
400V40.1Very low51.6Low124 Ų124125.3 Ų125.375%0.75263%0.625SS**  trans-51.9120174.1176.70000108.8G398 I402G398-V400 PolarHBondContact O-N 2.89Å; V400-I402 VanDerWaalsContact C-N 3.27Å; V400-I402 HydrophobicContact CG1-CG1 4.47Å; V400-I402 PolarHBondContact O-N 2.9Å
401R36Very low50.2Low243 Ų243124.6 Ų124.692%0.91763%0.633SS**  trans-78.679.7177.7-68.8-173.1-179-172.82.1109.4K399K399-R401 PolarHBondContact O-N 2.84Å; K399-R401 VanDerWaalsContact O-N 3.17Å
402I37Very low49.2Very low74 Ų74124 Ų12438%0.37963%0.634SS.*  trans-51.1130.7173.8-61170.8000109.2V400 L406 M410V400-I402 VanDerWaalsContact C-N 3.27Å; V400-I402 HydrophobicContact CG1-CG1 4.47Å; V400-I402 PolarHBondContact O-N 2.9Å; I402-L406 HydrophobicContact CG2-CB 3.69Å; I402-M410 HydrophobicContact CD1-SD 3.79Å
403P39.7Very low47.8Very low93 Ų93127.1 Ų127.160%0.60465%0.646SS**  trans-54146.3176.8-28.536.4000113P405 L406P403-P405 WeakPolarHBondContact O-CD 2.74Å; P403-P405 VanDerWaalsContact O-N 3.1Å; P403-L406 PolarHBondContact O-N 3.26Å
404Q41.1Very low46.3Very low171 Ų171125 Ų12580%0.79966%0.655SS**G310 helixtrans-52.9-35.2-165.5-71.3-179.9-22.200116.7L406 R407Q404-L406 VanDerWaalsContact C-N 3.32Å; Q404-L406 PolarHBondContact O-N 3.3Å; Q404-R407 PolarHBondContact O-N 2.82Å
405P45.8Very low45.2Very low116 Ų116126 Ų12675%0.75367%0.667SS**G310 helixtrans-60.5-32.5-178.5-26.836.3000115.4P403P403-P405 WeakPolarHBondContact O-CD 2.74Å; P403-P405 VanDerWaalsContact O-N 3.1Å
406L40.5Very low44.3Very low105 Ų105128.8 Ų128.855%0.5567%0.67SS.*G310 helixtrans-85.3-13.1-173.4-93.5148000114.1I402 P403 Q404 N408 V409I402-L406 HydrophobicContact CG2-CB 3.69Å; P403-L406 PolarHBondContact O-N 3.26Å; Q404-L406 VanDerWaalsContact C-N 3.32Å; Q404-L406 PolarHBondContact O-N 3.3Å; L406-N408 VanDerWaalsContact C-N 3.28Å; L406-N408 PolarHBondContact O-N 3.23Å; L406-V409 PolarHBondContact O-N 3.35Å
407R41.3Very low43.7Very low190 Ų190127.3 Ų127.372%0.71767%0.665SS**Hα-helixtrans-67.1-26-169.6-162.9172.3-175.5-177.2-0.5113.9Q404Q404-R407 PolarHBondContact O-N 2.82Å
408N45Very low42.4Very low137 Ų137126.9 Ų126.973%0.73367%0.673SS**Hα-helixtrans-82.4-17.6-176.4-66.5-4.3000113.6L406L406-N408 VanDerWaalsContact C-N 3.28Å; L406-N408 PolarHBondContact O-N 3.23Å
409V46.2Very low42.3Very low101 Ų101130 Ų13061%0.61269%0.689SS**Hα-helixtrans-90.5-37-176.7-175.90000111.8L406 T412L406-V409 PolarHBondContact O-N 3.35Å; V409-T412 PolarHBondContact O-OG1 2.94Å
410M43Very low42.5Very low119 Ų119129.9 Ų129.959%0.58669%0.691SS**Hα-helixtrans-75.4-25.6177.8-63.4-178.777.800113.2I402 T412 A414I402-M410 HydrophobicContact CD1-SD 3.79Å; M410-T412 PolarHBondContact O-N 2.86Å; M410-A414 PolarHBondContact O-N 3.39Å
411G44.6Very low42.3Very low40 Ų40130 Ų13041%0.41269%0.693SS.*Hα-helixtrans-65.6-37.2-176.800000114.3
412T50.3Low42.4Very low98 Ų98123.3 Ų123.360%0.60168%0.683SS**Hα-helixtrans-78.9-18.1-177.146.50000114.1V409 M410V409-T412 PolarHBondContact O-OG1 2.94Å; M410-T412 PolarHBondContact O-N 2.86Å
413L42.8Very low42.5Very low118 Ų118128.8 Ų128.862%0.61871%0.707SS**Hα-helixtrans-92.3-42.3-176.4-147.1158.4000111.5Q415 R416 L417L413-Q415 PolarHBondContact O-N 2.74Å; L413-R416 PolarHBondContact O-N 3.49Å; L413-L417 HydrophobicContact CD2-CD1 4.08Å
414A46.5Very low42.5Very low79 Ų79129.5 Ų129.565%0.65371%0.712SS**Hα-helixtrans-61.6-29.3174.800000113.2M410 R416M410-A414 PolarHBondContact O-N 3.39Å; A414-R416 PolarHBondContact O-N 3.3Å
415Q47.6Very low42.5Very low174 Ų174126.9 Ų126.981%0.81371%0.712SS**THydrogen-bonded Turntrans-80.43.7-176.8-155.1168.63.900114.2L413L413-Q415 PolarHBondContact O-N 2.74Å
416R46.6Very low42.5Very low225 Ų225127 Ų12785%0.84971%0.713SS**THydrogen-bonded Turntrans-109.8-3.8179-80-175.1167.9-176.9-2.9115.4L413 A414L413-R416 PolarHBondContact O-N 3.49Å; A414-R416 PolarHBondContact O-N 3.3Å
417L42.9Very low42.6Very low145 Ų145127.6 Ų127.676%0.75972%0.723SS**SBendtrans-124.422.1-165.1-79.7162.1000114.6L413L413-L417 HydrophobicContact CD2-CD1 4.08Å
418G34.6Very low42.6Very low73 Ų73123.4 Ų123.475%0.75372%0.72SS**  trans-145.545.9-167.300000117
419S39.2Very low42.4Very low105 Ų105126.3 Ų126.373%0.73473%0.729SS**  trans-156.893.8170.758.90000115.4
420Q41Very low41.9Very low198 Ų198126.9 Ų126.993%0.92574%0.738SS**  trans-168.8159.4139.8-107.4152.4111.600110.8
421T37.2Very low41.5Very low127 Ų127133.1 Ų133.178%0.77976%0.755SS**  trans-135.4162.2-166.5530000112.9
422S37.9Very low40.9Very low102 Ų102136.2 Ų136.271%0.71377%0.77SS**  trans72.7128.7153.737.50000121
423E39.2Very low40.3Very low188 Ų188137.6 Ų137.688%0.87978%0.779SS**  trans86.7148.5151.6-68.6-172.416800121
424P38.9Very low40Very low109 Ų109138.7 Ų138.771%0.70879%0.785SS**  trans-137.2162.2-136.141.5-23.9000119.6
425S41.1Very low39.4Very low115 Ų115140.5 Ų140.580%0.80479%0.793SS**  trans68.1161160.173.90000118.5
426P45.7Very low38.8Very low119 Ų119137.5 Ų137.577%0.77379%0.791SS**  cis-119.4-177.5-5.824.6-0.8000114.2
427P42.8Very low38.1Very low117 Ų117133 Ų13376%0.7679%0.789SS**  trans-113.8-160-171.244.6-35000113
428P42Very low37.7Very low102 Ų102131.3 Ų131.366%0.66279%0.789SS**  cis-125.2160.9-37.327.3-9.2000113.3
429H40Very low37.6Very low198 Ų198132.6 Ų132.692%0.91779%0.786SS**  trans-143.3150.8158.3-88.2-65.4000114
430S35.9Very low37.1Very low114 Ų114132.1 Ų132.180%0.79778%0.782SS**  trans-70.9140.3-169.643.30000115.7
431R34.8Very low37.1Very low249 Ų249126.8 Ų126.894%0.9476%0.763SS**  trans-159135.2134.2-125.7174.3-175.4161.82.4112.4
432S32.1Very low36.9Very low106 Ų106128.9 Ų128.974%0.74176%0.764SS**  trans-93.9144.5166.843.10000110.3
433T36.4Very low37Very low127 Ų127127.2 Ų127.278%0.77976%0.756SS**  trans-165.3109.7148.5350000110.4
434N38.3Very low37.2Very low141 Ų141121.5 Ų121.575%0.75473%0.734SS**  trans53.3126.7132.6-56.315.1000122.3
435S32.8Very low37.4Very low116 Ų116120.3 Ų120.381%0.81173%0.725SS**  trans56.9117.5132.866.80000121.3
436S35.9Very low37.3Very low112 Ų112119.8 Ų119.878%0.78371%0.71SS**  -154.5127.3129.962.60000111.3
437V31.9Very low36.9Very low131 Ų131122.2 Ų122.279%0.79471%0.708SS**  trans-49.4133.6171.21770000111.2
438S33.8Very low36.9Very low109 Ų109122.8 Ų122.876%0.76270%0.703SS**  trans-126116.4172.664.60000111.4C440S438-C440 PolarHBondContact O-N 3.24Å
439S32.7Very low36.7Very low100 Ų100125.4 Ų125.470%0.69971%0.705SS**  trans-56.8127.7177.2450000112.5T441S439-T441 PolarHBondContact O-N 2.57Å
440C29.6Very low36.4Very low95 Ų95124.6 Ų124.664%0.64269%0.693SS**  trans-72.489.5173.3-1690000109.7S438 T444S438-C440 PolarHBondContact O-N 3.24Å; C440-T444 VanDerWaalsContact SG-CB 3.57Å
441T39.3Very low36.3Very low86 Ų86123.1 Ų123.153%0.52868%0.68SS.*  trans-79.8162.9171.759.10000110.7S439 A443 T444S439-T441 PolarHBondContact O-N 2.57Å; T441-A443 PolarHBondContact O-N 2.69Å; T441-T444 PolarHBondContact O-N 3.36Å
442Q34.9Very low36.4Very low171 Ų171118.5 Ų118.580%0.79967%0.669SS**Hα-helixtrans-51.3-25.6-175.2-74.6170.6-49.900114.7T444 V445 E446Q442-T444 PolarHBondContact O-N 3.01Å; Q442-V445 PolarHBondContact O-N 3.48Å; Q442-V445 VanDerWaalsContact O-N 3.09Å; Q442-E446 PolarHBondContact O-N 3.45Å
443A38.8Very low36.2Very low67 Ų67119.8 Ų119.855%0.55466%0.663SS**Hα-helixtrans-59.8-29175.400000113.9T441 K447T441-A443 PolarHBondContact O-N 2.69Å; A443-K447 PolarHBondContact O-N 3.43Å
444T44Very low36.4Very low67 Ų67118 Ų11841%0.41165%0.654SS.*Hα-helixtrans-74.2-37.7174.4-530000111.3C440 T441 Q442 K447 I448C440-T444 VanDerWaalsContact SG-CB 3.57Å; T441-T444 PolarHBondContact O-N 3.36Å; Q442-T444 PolarHBondContact O-N 3.01Å; T444-K447 WeakPolarHBondContact O-CB 3.48Å; T444-K447 PolarHBondContact O-N 3.08Å; T444-I448 WeakPolarHBondContact O-CG1 3.35Å; T444-I448 PolarHBondContact O-N 2.83Å; T444-I448 VanDerWaalsContact O-N 3.15Å
445V42.1Very low36.5Very low84 Ų84117.7 Ų117.751%0.50966%0.657SS.*Hα-helixtrans-67.1-44.4177-176.10000110.6Q442 K447 I448 F449Q442-V445 PolarHBondContact O-N 3.48Å; Q442-V445 VanDerWaalsContact O-N 3.09Å; V445-K447 PolarHBondContact O-N 3.21Å; V445-I448 PolarHBondContact O-N 2.94Å; V445-I448 VanDerWaalsContact O-N 3.13Å; V445-F449 PolarHBondContact O-N 3Å
446E40.2Very low37.2Very low105 Ų105118.5 Ų118.549%0.49165%0.647SS.*Hα-helixtrans-58.9-31.8172.1-79.1-145.798.900113Q442 F449 R450Q442-E446 PolarHBondContact O-N 3.45Å; E446-F449 PolarHBondContact O-N 3.49Å; E446-R450 WeakPolarHBondContact O-CB 3.44Å; E446-R450 VanDerWaalsContact O-CG 3.28Å; E446-R450 WeakPolarHBondContact O-CG 3.28Å; E446-R450 PolarHBondContact O-N 3.5Å; E446-R450 IonicContact OE1-CZ 3.26Å; E446-R450 IonicContact OE1-NE 2.78Å; E446-R450 PolarHBondContact OE1-NE 3.43Å; E446-R450 IonicContact OE1-NH2 2.76Å; E446-R450 PolarHBondContact OE1-NH2 3.16Å; E446-R450 IonicContact OE2-NH2 2.69Å
447K37.7Very low38.2Very low169 Ų169114.3 Ų114.374%0.73562%0.618SS**Hα-helixtrans-73.1-31.7177.7-163.6177.2-179-172.90112.6A443 T444 V445A443-K447 PolarHBondContact O-N 3.43Å; T444-K447 WeakPolarHBondContact O-CB 3.48Å; T444-K447 PolarHBondContact O-N 3.08Å; V445-K447 PolarHBondContact O-N 3.21Å
448I42.8Very low39.9Very low129 Ų129111.7 Ų111.766%0.66261%0.605SS**Hα-helixtrans-72.3-35.7173.5-65.9165.4000110.7T444 V445 R450T444-I448 WeakPolarHBondContact O-CG1 3.35Å; T444-I448 PolarHBondContact O-N 2.83Å; T444-I448 VanDerWaalsContact O-N 3.15Å; V445-I448 PolarHBondContact O-N 2.94Å; V445-I448 VanDerWaalsContact O-N 3.13Å; I448-R450 VanDerWaalsContact C-N 3.32Å; I448-R450 PolarHBondContact O-N 3.38Å
449F37.9Very low41.9Very low157 Ų157106.8 Ų106.869%0.68957%0.571SS**THydrogen-bonded Turntrans-82.61.6-179-124.6-95.2000115.1V445 E446V445-F449 PolarHBondContact O-N 3Å; E446-F449 PolarHBondContact O-N 3.49Å
450R33.2Very low44.2Very low181 Ų181105 Ų10568%0.68355%0.554SS**THydrogen-bonded Turntrans-124.238.2-175.9-68.3-171.1-167.4-164.310.2114.8E446 I448E446-R450 WeakPolarHBondContact O-CB 3.44Å; E446-R450 VanDerWaalsContact O-CG 3.28Å; E446-R450 WeakPolarHBondContact O-CG 3.28Å; E446-R450 PolarHBondContact O-N 3.5Å; E446-R450 IonicContact OE1-CZ 3.26Å; E446-R450 IonicContact OE1-NE 2.78Å; E446-R450 PolarHBondContact OE1-NE 3.43Å; E446-R450 IonicContact OE1-NH2 2.76Å; E446-R450 PolarHBondContact OE1-NH2 3.16Å; E446-R450 IonicContact OE2-NH2 2.69Å; I448-R450 VanDerWaalsContact C-N 3.32Å; I448-R450 PolarHBondContact O-N 3.38Å
451T32.7Very low46.8Very low83 Ų83103.6 Ų103.651%0.50954%0.542SS..  trans-141.595.616224.60000110.3E453T451-E453 HydrophobicContact CG2-CB 4.48Å; T451-E453 HydrophobicContact CG2-CG 4.04Å; T451-E453 PolarHBondContact O-N 3.4Å; T451-E453 VanDerWaalsContact O-N 3.16Å
452E36.7Very low49Very low153 Ų153103.1 Ų103.172%0.71554%0.542SS*.  trans-7939156.2-72.9169.6150.300110.4K159K159-E452 WeakPolarHBondContact CE-OE1 3.46Å; K159-E452 IonicContact NZ-OE1 3.06Å; K159-E452 PolarHBondContact NZ-OE1 2.97Å; K159-E452 IonicContact NZ-OE2 2.92Å; K159-E452 PolarHBondContact NZ-OE2 2.69Å
453E29.5Very low51.4Low133 Ų13395.2 Ų95.262%0.62151%0.505SS*.  trans-72.7141.1163.7-73.2-178.9156.400107.5T451T451-E453 HydrophobicContact CG2-CB 4.48Å; T451-E453 HydrophobicContact CG2-CG 4.04Å; T451-E453 PolarHBondContact O-N 3.4Å; T451-E453 VanDerWaalsContact O-N 3.16Å
454P40Very low53.7Low90 Ų9092 Ų9258%0.58448%0.479SS*.  trans-58.1146.6170.128.2-34000108.4H456P454-H456 PolarHBondContact O-CD2 3.02Å; P454-H456 VanDerWaalsContact O-CD2 3.27Å; P454-H456 PolarHBondContact O-N 3.46Å
455V40.5Very low55.8Low133 Ų13394 Ų9481%0.80648%0.483SS*.  trans-63.496.9167.9177.90000106.3S457V455-S457 PolarHBondContact O-N 2.83Å
456H48Very low57.9Low133 Ų13395.6 Ų95.662%0.61649%0.487SS*.  trans-63.7104.1-177.8-77.9-77.9000108.1P454 S458P454-H456 PolarHBondContact O-CD2 3.02Å; P454-H456 VanDerWaalsContact O-CD2 3.27Å; P454-H456 PolarHBondContact O-N 3.46Å; H456-S458 PolarHBondContact O-N 3.31Å; H456-S458 VanDerWaalsContact O-N 3.14Å
457S57.1Low60.2Low25 Ų2591 Ų9118%0.17547%0.465CS..  trans-52.1119.5173.353.50000108.7V455 M459 I744V455-S457 PolarHBondContact O-N 2.83Å; S457-M459 PolarHBondContact O-N 2.92Å; S457-I744 VanDerWaalsContact OG-CG2 3.22Å; S457-I744 WeakPolarHBondContact OG-CG2 3.21Å
458S66.2Low62.6Low75 Ų7583.6 Ų83.652%0.52443%0.434SS..SBendtrans-70.4-9.7-179.259.20000113.3H456 N701 K702 G703H456-S458 PolarHBondContact O-N 3.31Å; H456-S458 VanDerWaalsContact O-N 3.14Å; S458-N701 PolarHBondContact OG-O 3.43Å; S458-K702 PolarHBondContact OG-O 3.1Å; S458-G703 WeakPolarHBondContact OG-CA 3.38Å; S458-G703 PolarHBondContact OG-N 3.3Å
459M76.9Confident64.8Low7 Ų781.4 Ų81.43%0.03443%0.43CS..  trans-64.7123.5168.2-176.2-172.575.600111.3S457 T463 G464 I467 I700 V741 I744 V745S457-M459 PolarHBondContact O-N 2.92Å; M459-T463 HydrophobicContact CG-CG2 3.98Å; M459-G464 VanDerWaalsContact SD-CA 3.55Å; M459-I467 HydrophobicContact SD-CD1 4.1Å; M459-I700 HydrophobicContact SD-CG2 3.67Å; M459-V741 HydrophobicContact CE-CG1 4.1Å; M459-V741 HydrophobicContact SD-CG1 4.23Å; M459-I744 HydrophobicContact CE-CB 4.23Å; M459-I744 HydrophobicContact CE-CG2 3.56Å; M459-V745 HydrophobicContact CE-CG2 3.9Å
460D81.1Confident67.1Low63 Ų6377.9 Ų77.934%0.33741%0.412SS..  trans-77.6163171.771.289.6000112.4S462 T463 G464D460-S462 VanDerWaalsContact C-N 3.26Å; D460-S462 PolarHBondContact O-N 2.76Å; D460-S462 WeakPolarHBondContact OD1-CA 3.29Å; D460-S462 WeakPolarHBondContact OD1-CB 3.47Å; D460-S462 PolarHBondContact OD1-N 2.95Å; D460-S462 PolarHBondContact OD1-OG 3.33Å; D460-T463 PolarHBondContact O-N 3.01Å; D460-T463 PolarHBondContact OD1-N 2.81Å; D460-T463 VanDerWaalsContact OD2-CB 3.3Å; D460-T463 WeakPolarHBondContact OD2-CB 3.04Å; D460-T463 PolarHBondContact OD2-OG1 3.45Å; D460-G464 PolarHBondContact O-N 3.28Å
461V83.6Confident69.7Low65 Ų6569.2 Ų69.239%0.39438%0.38SS..Hα-helixtrans-58.8-33.9-177.2-178.50000112.7H465 I748V461-H465 PolarHBondContact O-N 3.03Å; V461-H465 VanDerWaalsContact O-N 3.11Å; V461-H465 PolarHBondContact O-ND1 2.86Å; V461-I748 HydrophobicContact CG2-CB 4.15Å; V461-I748 HydrophobicContact CG2-CD1 3.86Å; V461-I748 HydrophobicContact CG2-CG2 3.65Å
462S85.5Confident72.3Confident76 Ų7668.9 Ų68.953%0.53137%0.372SS..Hα-helixtrans-75.4-43-178.874.60000111.7D460 G464 H465 M466D460-S462 VanDerWaalsContact C-N 3.26Å; D460-S462 PolarHBondContact O-N 2.76Å; D460-S462 WeakPolarHBondContact OD1-CA 3.29Å; D460-S462 WeakPolarHBondContact OD1-CB 3.47Å; D460-S462 PolarHBondContact OD1-N 2.95Å; D460-S462 PolarHBondContact OD1-OG 3.33Å; S462-G464 VanDerWaalsContact C-N 3.29Å; S462-G464 PolarHBondContact O-N 2.73Å; S462-H465 PolarHBondContact O-N 3.21Å; S462-M466 WeakPolarHBondContact O-CG 3.09Å; S462-M466 PolarHBondContact O-N 2.84Å
463T85.2Confident74.7Confident5 Ų565 Ų653%0.03136%0.356CS..Hα-helixtrans-58.1-42.3171.1-60.40000110.9M459 D460 H465 M466 I467 K705M459-T463 HydrophobicContact CG-CG2 3.98Å; D460-T463 PolarHBondContact O-N 3.01Å; D460-T463 PolarHBondContact OD1-N 2.81Å; D460-T463 VanDerWaalsContact OD2-CB 3.3Å; D460-T463 WeakPolarHBondContact OD2-CB 3.04Å; D460-T463 PolarHBondContact OD2-OG1 3.45Å; T463-H465 PolarHBondContact O-N 2.92Å; T463-M466 PolarHBondContact O-N 3.28Å; T463-I467 HydrophobicContact CG2-CD1 3.91Å; T463-I467 WeakPolarHBondContact O-CG1 3.35Å; T463-I467 PolarHBondContact O-N 3.2Å; T463-K705 HydrophobicContact CG2-CB 4.34Å; T463-K705 HydrophobicContact CG2-CG 4.45Å
464G86.3Confident77.3Confident0 Ų059.3 Ų59.30%033%0.33CS..Hα-helixtrans-59.3-42.5174.500000113.9M459 D460 S462 I467 L468M459-G464 VanDerWaalsContact SD-CA 3.55Å; D460-G464 PolarHBondContact O-N 3.28Å; S462-G464 VanDerWaalsContact C-N 3.29Å; S462-G464 PolarHBondContact O-N 2.73Å; G464-I467 PolarHBondContact O-N 3.33Å; G464-L468 VanDerWaalsContact O-CG 3.29Å; G464-L468 WeakPolarHBondContact O-CG 3.44Å; G464-L468 PolarHBondContact O-N 2.99Å
465H88.2Confident79.5Confident107 Ų10757.5 Ų57.550%0.49532%0.315SS..Hα-helixtrans-69.5-33.5175.6-76.382000113V461 S462 T463 S469V461-H465 PolarHBondContact O-N 3.03Å; V461-H465 VanDerWaalsContact O-N 3.11Å; V461-H465 PolarHBondContact O-ND1 2.86Å; S462-H465 PolarHBondContact O-N 3.21Å; T463-H465 PolarHBondContact O-N 2.92Å; H465-S469 VanDerWaalsContact O-CB 3.31Å; H465-S469 WeakPolarHBondContact O-CB 3.27Å; H465-S469 PolarHBondContact O-N 3.28Å
466M87.1Confident81.7Confident119 Ų11958.1 Ų58.159%0.58631%0.307SS*.Hα-helixtrans-64.9-45.7173.6-68.2-168.4-61.100111.4S462 T463 S469 Y470S462-M466 WeakPolarHBondContact O-CG 3.09Å; S462-M466 PolarHBondContact O-N 2.84Å; T463-M466 PolarHBondContact O-N 3.28Å; M466-S469 PolarHBondContact O-N 3.49Å; M466-Y470 PolarHBondContact O-N 2.61Å
467I87.3Confident83.5Confident8 Ų853.8 Ų53.84%0.04129%0.289CS..Hα-helixtrans-63.2-43177.1-66.9168.4000110.7M459 T463 G464 Y470 L471 I700 L707 V741M459-I467 HydrophobicContact SD-CD1 4.1Å; T463-I467 HydrophobicContact CG2-CD1 3.91Å; T463-I467 WeakPolarHBondContact O-CG1 3.35Å; T463-I467 PolarHBondContact O-N 3.2Å; G464-I467 PolarHBondContact O-N 3.33Å; I467-Y470 WeakPolarHBondContact O-CB 3.48Å; I467-Y470 PolarHBondContact O-N 2.88Å; I467-L471 HydrophobicContact CG2-CD1 3.73Å; I467-L471 HydrophobicContact CG2-CG 4.36Å; I467-L471 VanDerWaalsContact O-CG 3.28Å; I467-L471 WeakPolarHBondContact O-CG 3.33Å; I467-L471 PolarHBondContact O-N 2.81Å; I467-I700 HydrophobicContact CD1-CG1 4.46Å; I467-L707 HydrophobicContact CG2-CD2 4.33Å; I467-V741 HydrophobicContact CB-CG1 4.43Å; I467-V741 HydrophobicContact CG2-CG1 4.21Å; I467-V741 HydrophobicContact CG2-CG2 4.08Å
468L89.8Confident84.6Confident14 Ų1456 Ų567%0.07331%0.305CS..Hα-helixtrans-62.3-43.7174.6-71.8168.7000112.3G464 Y470 L471 E472 A738 V741 Q742 V745G464-L468 VanDerWaalsContact O-CG 3.29Å; G464-L468 WeakPolarHBondContact O-CG 3.44Å; G464-L468 PolarHBondContact O-N 2.99Å; L468-Y470 VanDerWaalsContact C-N 3.29Å; L468-Y470 PolarHBondContact O-N 2.91Å; L468-L471 PolarHBondContact O-N 3.21Å; L468-E472 VanDerWaalsContact O-CB 3.28Å; L468-E472 WeakPolarHBondContact O-CB 3.4Å; L468-E472 WeakPolarHBondContact O-CG 3.5Å; L468-E472 PolarHBondContact O-N 3.45Å; L468-A738 WeakPolarHBondContact CD2-O 3.45Å; L468-V741 HydrophobicContact CD1-CG1 4.24Å; L468-V741 HydrophobicContact CD2-CB 4.05Å; L468-V741 HydrophobicContact CD2-CG1 3.97Å; L468-V741 HydrophobicContact CG-CB 4.37Å; L468-V741 HydrophobicContact CG-CG1 3.73Å; L468-Q742 HydrophobicContact CD1-CB 4.29Å; L468-Q742 HydrophobicContact CD1-CG 4.33Å; L468-Q742 HydrophobicContact CD2-CB 3.91Å; L468-V745 HydrophobicContact CD1-CG2 4.26Å
469S88Confident85.6Confident82 Ų8260 Ų6057%0.57332%0.315SS*.Hα-helixtrans-62.6-34.7176.9-173.40000112.6H465 M466 D473H465-S469 VanDerWaalsContact O-CB 3.31Å; H465-S469 WeakPolarHBondContact O-CB 3.27Å; H465-S469 PolarHBondContact O-N 3.28Å; M466-S469 PolarHBondContact O-N 3.49Å; S469-D473 WeakPolarHBondContact O-CB 3.24Å; S469-D473 PolarHBondContact O-N 2.81Å
470Y86.8Confident86Confident83 Ų8363.1 Ų63.133%0.32533%0.329SS..Hα-helixtrans-66.4-53172.5177.1-83.5000111M466 I467 L468 E472 D473 H474M466-Y470 PolarHBondContact O-N 2.61Å; I467-Y470 WeakPolarHBondContact O-CB 3.48Å; I467-Y470 PolarHBondContact O-N 2.88Å; L468-Y470 VanDerWaalsContact C-N 3.29Å; L468-Y470 PolarHBondContact O-N 2.91Å; Y470-E472 PolarHBondContact O-N 3.42Å; Y470-D473 WeakPolarHBondContact O-CB 3.49Å; Y470-D473 PolarHBondContact O-N 2.98Å; Y470-D473 VanDerWaalsContact O-N 3.15Å; Y470-H474 AromaticContact CD1-CE1 3.99Å; Y470-H474 AromaticContact CD1-ND1 3.82Å; Y470-H474 AromaticContact CD2-CE1 3.75Å; Y470-H474 AromaticContact CE1-CE1 3.62Å; Y470-H474 AromaticContact CE1-ND1 3.68Å; Y470-H474 AromaticContact CE2-CE1 3.39Å; Y470-H474 WeakPolarHBondContact CE2-CE1 3.34Å; Y470-H474 AromaticContact CZ-CE1 3.29Å; Y470-H474 AromaticContact CZ-ND1 3.86Å; Y470-H474 AromaticContact CZ-NE2 3.69Å; Y470-H474 PolarHBondContact O-N 2.93Å; Y470-H474 PolarHBondContact O-ND1 3.28Å
471L88.4Confident86.4Confident0 Ų060.5 Ų60.50%032%0.315CS..Hα-helixtrans-64.1-41.6-176.6-66.3167.2000111.9I467 L468 D473 H474 L475 I709 L734 V737 A738I467-L471 HydrophobicContact CG2-CD1 3.73Å; I467-L471 HydrophobicContact CG2-CG 4.36Å; I467-L471 VanDerWaalsContact O-CG 3.28Å; I467-L471 WeakPolarHBondContact O-CG 3.33Å; I467-L471 PolarHBondContact O-N 2.81Å; L468-L471 PolarHBondContact O-N 3.21Å; L471-D473 VanDerWaalsContact C-N 3.29Å; L471-D473 PolarHBondContact O-N 3.07Å; L471-H474 PolarHBondContact O-N 3.4Å; L471-L475 WeakPolarHBondContact O-CB 3.46Å; L471-L475 WeakPolarHBondContact O-CG 3.32Å; L471-L475 PolarHBondContact O-N 2.89Å; L471-I709 HydrophobicContact CD2-CD1 3.7Å; L471-L734 HydrophobicContact CD2-CD2 3.64Å; L471-V737 HydrophobicContact CD1-CB 4.27Å; L471-V737 HydrophobicContact CD1-CG1 3.74Å; L471-A738 HydrophobicContact CB-CB 4.14Å; L471-A738 HydrophobicContact CD1-CB 4.07Å
472E87.3Confident86.7Confident76 Ų7660.4 Ų60.436%0.35531%0.31SS..Hα-helixtrans-63.7-31.1175.1-79.2-170.9-143.700113L468 Y470 K476L468-E472 VanDerWaalsContact O-CB 3.28Å; L468-E472 WeakPolarHBondContact O-CB 3.4Å; L468-E472 WeakPolarHBondContact O-CG 3.5Å; L468-E472 PolarHBondContact O-N 3.45Å; Y470-E472 PolarHBondContact O-N 3.42Å; E472-K476 VanDerWaalsContact O-CB 3.25Å; E472-K476 WeakPolarHBondContact O-CB 3.46Å; E472-K476 WeakPolarHBondContact O-CD 3.43Å; E472-K476 WeakPolarHBondContact O-CG 3.39Å; E472-K476 PolarHBondContact O-N 3Å; E472-K476 VanDerWaalsContact O-N 3.09Å; E472-K476 IonicContact OE2-NZ 2.69Å; E472-K476 PolarHBondContact OE2-NZ 3.3Å
473D86.1Confident86.9Confident70 Ų7064.4 Ų64.437%0.37432%0.318SS..Hα-helixtrans-71.9-36176.3179.543.8000112.2S469 Y470 L471 T477 K480S469-D473 WeakPolarHBondContact O-CB 3.24Å; S469-D473 PolarHBondContact O-N 2.81Å; Y470-D473 WeakPolarHBondContact O-CB 3.49Å; Y470-D473 PolarHBondContact O-N 2.98Å; Y470-D473 VanDerWaalsContact O-N 3.15Å; L471-D473 VanDerWaalsContact C-N 3.29Å; L471-D473 PolarHBondContact O-N 3.07Å; D473-T477 VanDerWaalsContact O-CB 3.23Å; D473-T477 WeakPolarHBondContact O-CB 3.4Å; D473-T477 PolarHBondContact O-N 2.97Å; D473-T477 PolarHBondContact O-OG1 3.38Å; D473-K480 IonicContact OD1-NZ 3.4Å; D473-K480 PolarHBondContact OD1-NZ 2.95Å; D473-K480 IonicContact OD2-NZ 2.85Å; D473-K480 PolarHBondContact OD2-NZ 2.94Å
474H83.2Confident87.1Confident14 Ų1466.5 Ų66.57%0.06533%0.327CS..Hα-helixtrans-73.4-46.8175.5-66.870.4000111Y470 L471 K476 T477 E484 L734Y470-H474 AromaticContact CD1-CE1 3.99Å; Y470-H474 AromaticContact CD1-ND1 3.82Å; Y470-H474 AromaticContact CD2-CE1 3.75Å; Y470-H474 AromaticContact CE1-CE1 3.62Å; Y470-H474 AromaticContact CE1-ND1 3.68Å; Y470-H474 AromaticContact CE2-CE1 3.39Å; Y470-H474 WeakPolarHBondContact CE2-CE1 3.34Å; Y470-H474 AromaticContact CZ-CE1 3.29Å; Y470-H474 AromaticContact CZ-ND1 3.86Å; Y470-H474 AromaticContact CZ-NE2 3.69Å; Y470-H474 PolarHBondContact O-N 2.93Å; Y470-H474 PolarHBondContact O-ND1 3.28Å; L471-H474 PolarHBondContact O-N 3.4Å; H474-K476 VanDerWaalsContact C-N 3.26Å; H474-K476 PolarHBondContact O-N 3.31Å; H474-T477 CarbonylContact O-C 3.55Å; H474-T477 PolarHBondContact O-N 3.29Å; H474-T477 VanDerWaalsContact O-N 3.1Å; H474-E484 IonicContact CD2-OE1 3.38Å; H474-E484 IonicContact CD2-OE2 3.32Å; H474-E484 IonicContact NE2-OE1 3.66Å; H474-E484 PolarHBondContact NE2-OE1 3.42Å; H474-L734 HydrophobicContact CB-CD1 4.23Å
475L86Confident87.4Confident52 Ų5267.8 Ų67.827%0.27233%0.332SS..Hα-helixtrans-64.2-25.2177.3-70.2170.3000113.7L471 E731 L734 A738L471-L475 WeakPolarHBondContact O-CB 3.46Å; L471-L475 WeakPolarHBondContact O-CG 3.32Å; L471-L475 PolarHBondContact O-N 2.89Å; L475-E731 HydrophobicContact CD2-CG 3.75Å; L475-L734 HydrophobicContact CD1-CB 4.44Å; L475-L734 HydrophobicContact CD2-CB 3.77Å; L475-L734 HydrophobicContact CD2-CD1 4.44Å; L475-L734 HydrophobicContact CG-CB 4.1Å; L475-A738 HydrophobicContact CD1-CB 4.27Å
476K87.7Confident87.6Confident147 Ų14767.5 Ų67.564%0.63933%0.33SS*.Hα-helixtrans-89-12.2174.8-68.8166.4-161166.90113.7E472 H474E472-K476 VanDerWaalsContact O-CB 3.25Å; E472-K476 WeakPolarHBondContact O-CB 3.46Å; E472-K476 WeakPolarHBondContact O-CD 3.43Å; E472-K476 WeakPolarHBondContact O-CG 3.39Å; E472-K476 PolarHBondContact O-N 3Å; E472-K476 VanDerWaalsContact O-N 3.09Å; E472-K476 IonicContact OE2-NZ 2.69Å; E472-K476 PolarHBondContact OE2-NZ 3.3Å; H474-K476 VanDerWaalsContact C-N 3.26Å; H474-K476 PolarHBondContact O-N 3.31Å
477T84.8Confident87.8Confident41 Ų4164.5 Ų64.525%0.25232%0.324SS..  trans-123.581.2-172.1-42.80000111.2D473 H474 E479 K480 L481D473-T477 VanDerWaalsContact O-CB 3.23Å; D473-T477 WeakPolarHBondContact O-CB 3.4Å; D473-T477 PolarHBondContact O-N 2.97Å; D473-T477 PolarHBondContact O-OG1 3.38Å; H474-T477 CarbonylContact O-C 3.55Å; H474-T477 PolarHBondContact O-N 3.29Å; H474-T477 VanDerWaalsContact O-N 3.1Å; T477-E479 PolarHBondContact O-N 3.46Å; T477-E479 VanDerWaalsContact O-N 3.08Å; T477-K480 HydrophobicContact CG2-CB 4.37Å; T477-K480 HydrophobicContact CG2-CD 3.92Å; T477-K480 HydrophobicContact CG2-CG 3.76Å; T477-K480 WeakPolarHBondContact O-CB 3.37Å; T477-K480 PolarHBondContact O-N 3.09Å; T477-L481 PolarHBondContact O-N 3.38Å
478S80.9Confident87.9Confident71 Ų7164.3 Ų64.350%0.49732%0.323SS..Hα-helixtrans-45.4-43178-169.30000112.8K480 L481 E482S478-K480 VanDerWaalsContact C-N 3.25Å; S478-K480 PolarHBondContact O-N 3.24Å; S478-K480 VanDerWaalsContact O-N 3.17Å; S478-L481 PolarHBondContact O-N 2.87Å; S478-L481 VanDerWaalsContact O-N 3.17Å; S478-E482 VanDerWaalsContact O-CB 3.3Å; S478-E482 WeakPolarHBondContact O-CB 3.48Å; S478-E482 WeakPolarHBondContact O-CG 3.43Å; S478-E482 PolarHBondContact O-N 3.19Å; S478-E482 PolarHBondContact OG-OE1 3.47Å
479E87.3Confident87.8Confident159 Ų15969.7 Ų69.774%0.74335%0.347SS*.Hα-helixtrans-58-31.1179.3-61.9-176.1179.700114.3T477 K483T477-E479 PolarHBondContact O-N 3.46Å; T477-E479 VanDerWaalsContact O-N 3.08Å; E479-K483 WeakPolarHBondContact O-CB 3.37Å; E479-K483 PolarHBondContact O-N 2.96Å
480K86.1Confident87.7Confident73 Ų7371.8 Ų71.832%0.31735%0.352SS..Hα-helixtrans-74.7-51.4175.1-69.4176.1-174163.70110.4D473 T477 S478 E482 K483 E484D473-K480 IonicContact OD1-NZ 3.4Å; D473-K480 PolarHBondContact OD1-NZ 2.95Å; D473-K480 IonicContact OD2-NZ 2.85Å; D473-K480 PolarHBondContact OD2-NZ 2.94Å; T477-K480 HydrophobicContact CG2-CB 4.37Å; T477-K480 HydrophobicContact CG2-CD 3.92Å; T477-K480 HydrophobicContact CG2-CG 3.76Å; T477-K480 WeakPolarHBondContact O-CB 3.37Å; T477-K480 PolarHBondContact O-N 3.09Å; S478-K480 VanDerWaalsContact C-N 3.25Å; S478-K480 PolarHBondContact O-N 3.24Å; S478-K480 VanDerWaalsContact O-N 3.17Å; K480-E482 VanDerWaalsContact C-N 3.34Å; K480-E482 PolarHBondContact O-N 2.89Å; K480-K483 WeakPolarHBondContact O-CB 3.37Å; K480-K483 PolarHBondContact O-N 3.29Å; K480-E484 PolarHBondContact O-N 3.06Å
481L88.4Confident87.8Confident8 Ų870.9 Ų70.94%0.04235%0.348CS..Hα-helixtrans-57.6-46.8-179.9-177.263.6000111.7T477 S478 K483 E484 W485 I727 F730 E731 L734T477-L481 PolarHBondContact O-N 3.38Å; S478-L481 PolarHBondContact O-N 2.87Å; S478-L481 VanDerWaalsContact O-N 3.17Å; L481-K483 VanDerWaalsContact C-N 3.33Å; L481-K483 PolarHBondContact O-N 3.42Å; L481-E484 PolarHBondContact O-N 3.35Å; L481-W485 WeakPolarHBondContact O-CB 3.43Å; L481-W485 PolarHBondContact O-N 2.82Å; L481-I727 HydrophobicContact CG-CD1 4.36Å; L481-I727 HydrophobicContact CG-CG1 4.3Å; L481-F730 HydrophobicContact CD1-CD1 3.53Å; L481-F730 HydrophobicContact CD1-CE1 3.8Å; L481-E731 HydrophobicContact CD2-CB 3.9Å; L481-E731 HydrophobicContact CD2-CG 3.78Å; L481-L734 HydrophobicContact CD1-CD1 3.45Å; L481-L734 VanDerWaalsContact CD1-CD1 3.45Å
482E90.4Very high87.6Confident63 Ų6379.2 Ų79.229%0.29439%0.385SS..Hα-helixtrans-61.7-37.9174-77.9179.1-117.600113S478 K480 K486 I727S478-E482 VanDerWaalsContact O-CB 3.3Å; S478-E482 WeakPolarHBondContact O-CB 3.48Å; S478-E482 WeakPolarHBondContact O-CG 3.43Å; S478-E482 PolarHBondContact O-N 3.19Å; S478-E482 PolarHBondContact OG-OE1 3.47Å; K480-E482 VanDerWaalsContact C-N 3.34Å; K480-E482 PolarHBondContact O-N 2.89Å; E482-K486 VanDerWaalsContact O-CB 3.27Å; E482-K486 WeakPolarHBondContact O-CB 3.41Å; E482-K486 VanDerWaalsContact O-CD 3.22Å; E482-K486 WeakPolarHBondContact O-CD 3.42Å; E482-K486 WeakPolarHBondContact O-CG 3.45Å; E482-K486 PolarHBondContact O-N 3.31Å; E482-K486 IonicContact OE2-NZ 2.8Å; E482-K486 PolarHBondContact OE2-NZ 3.16Å; E482-I727 HydrophobicContact CB-CD1 4.41Å; E482-I727 HydrophobicContact CG-CD1 3.88Å
483K90Very high87.3Confident160 Ų16075.7 Ų75.770%0.69637%0.369SS*.Hα-helixtrans-70.2-40.8179.8-180-169.7171.1-160.10111.2E479 K480 L481 A487E479-K483 WeakPolarHBondContact O-CB 3.37Å; E479-K483 PolarHBondContact O-N 2.96Å; K480-K483 WeakPolarHBondContact O-CB 3.37Å; K480-K483 PolarHBondContact O-N 3.29Å; L481-K483 VanDerWaalsContact C-N 3.33Å; L481-K483 PolarHBondContact O-N 3.42Å; K483-A487 PolarHBondContact O-N 2.64Å
484E89.2Confident87Confident49 Ų4980 Ų8023%0.22939%0.391CS..Hα-helixtrans-64.6-47.3172.3-72.8173.2-172.900110.6H474 K480 L481 K486 A487 M488 F730H474-E484 IonicContact CD2-OE1 3.38Å; H474-E484 IonicContact CD2-OE2 3.32Å; H474-E484 IonicContact NE2-OE1 3.66Å; H474-E484 PolarHBondContact NE2-OE1 3.42Å; K480-E484 PolarHBondContact O-N 3.06Å; L481-E484 PolarHBondContact O-N 3.35Å; E484-K486 PolarHBondContact O-N 2.88Å; E484-A487 WeakPolarHBondContact O-CA 3.46Å; E484-A487 WeakPolarHBondContact O-CB 3.35Å; E484-A487 PolarHBondContact O-N 3.34Å; E484-M488 WeakPolarHBondContact O-CG 3.29Å; E484-M488 PolarHBondContact O-N 3.05Å; E484-F730 HydrophobicContact CB-CE1 4.44Å
485W92.7Very high86.4Confident28 Ų2883.2 Ų83.211%0.10641%0.407CS..Hα-helixtrans-59.3-42.5176.4-175-102.6000112.8L481 A487 M488 E489 L713 V724 H725 S726 I727 F730L481-W485 WeakPolarHBondContact O-CB 3.43Å; L481-W485 PolarHBondContact O-N 2.82Å; W485-A487 PolarHBondContact O-N 3.41Å; W485-M488 HydrophobicContact CE3-CB 4.45Å; W485-M488 CarbonylContact O-C 3.56Å; W485-M488 WeakPolarHBondContact O-CB 3.21Å; W485-M488 PolarHBondContact O-N 3.29Å; W485-M488 VanDerWaalsContact O-N 3.09Å; W485-E489 WeakPolarHBondContact O-CB 3.34Å; W485-E489 PolarHBondContact O-N 2.9Å; W485-L713 HydrophobicContact CZ3-CD2 4.33Å; W485-V724 HydrophobicContact CH2-CG1 4.2Å; W485-V724 HydrophobicContact CZ3-CG1 4.02Å; W485-H725 WeakPolarHBondContact CZ2-O 3.37Å; W485-S726 VanDerWaalsContact CH2-C 3.47Å; W485-S726 WeakPolarHBondContact CH2-O 3.14Å; W485-S726 VanDerWaalsContact CZ2-C 3.44Å; W485-I727 HydrophobicContact CB-CB 4.44Å; W485-I727 HydrophobicContact CB-CD1 3.87Å; W485-I727 HydrophobicContact CB-CG1 3.97Å; W485-I727 HydrophobicContact CD2-CB 3.98Å; W485-I727 HydrophobicContact CD2-CG1 4.35Å; W485-I727 HydrophobicContact CG-CB 3.8Å; W485-I727 HydrophobicContact CG-CD1 4.06Å; W485-I727 HydrophobicContact CG-CG1 3.87Å; W485-F730 HydrophobicContact CE3-CB 3.82Å; W485-F730 HydrophobicContact CE3-CD1 4.21Å; W485-F730 HydrophobicContact CE3-CG 4.03Å; W485-F730 HydrophobicContact CZ3-CB 3.89Å; W485-F730 HydrophobicContact CZ3-CG 4.31Å
486K92.5Very high86.2Confident101 Ų10189.3 Ų89.344%0.43943%0.426SS..Hα-helixtrans-65.1-25.7175.4-72.5159.8-164165.10112.7E482 E484 N490E482-K486 VanDerWaalsContact O-CB 3.27Å; E482-K486 WeakPolarHBondContact O-CB 3.41Å; E482-K486 VanDerWaalsContact O-CD 3.22Å; E482-K486 WeakPolarHBondContact O-CD 3.42Å; E482-K486 WeakPolarHBondContact O-CG 3.45Å; E482-K486 PolarHBondContact O-N 3.31Å; E482-K486 IonicContact OE2-NZ 2.8Å; E482-K486 PolarHBondContact OE2-NZ 3.16Å; E484-K486 PolarHBondContact O-N 2.88Å; K486-N490 PolarHBondContact O-ND2 2.74Å
487A90.9Very high86.4Confident56 Ų5684.3 Ų84.346%0.46341%0.41SS..Hα-helixtrans-73-46168.400000111.1K483 E484 W485 E489 N490 Y491K483-A487 PolarHBondContact O-N 2.64Å; E484-A487 WeakPolarHBondContact O-CA 3.46Å; E484-A487 WeakPolarHBondContact O-CB 3.35Å; E484-A487 PolarHBondContact O-N 3.34Å; W485-A487 PolarHBondContact O-N 3.41Å; A487-E489 PolarHBondContact O-N 2.81Å; A487-N490 PolarHBondContact O-N 3.39Å; A487-Y491 PolarHBondContact O-N 3.16Å; A487-Y491 VanDerWaalsContact O-N 3.14Å
488M90Very high86.8Confident4 Ų483.7 Ų83.72%0.0241%0.406CS..Hα-helixtrans-60.9-42176.8-61.2-63.191.600112.7E484 W485 N490 Y491 A710 L713 E714 R717E484-M488 WeakPolarHBondContact O-CG 3.29Å; E484-M488 PolarHBondContact O-N 3.05Å; W485-M488 HydrophobicContact CE3-CB 4.45Å; W485-M488 CarbonylContact O-C 3.56Å; W485-M488 WeakPolarHBondContact O-CB 3.21Å; W485-M488 PolarHBondContact O-N 3.29Å; W485-M488 VanDerWaalsContact O-N 3.09Å; M488-N490 PolarHBondContact O-N 2.86Å; M488-Y491 WeakPolarHBondContact O-CB 2.83Å; M488-Y491 PolarHBondContact O-N 3.14Å; M488-A710 HydrophobicContact CE-CB 4.48Å; M488-A710 HydrophobicContact SD-CB 4.43Å; M488-L713 HydrophobicContact CB-CD2 4.45Å; M488-L713 HydrophobicContact CG-CD2 3.97Å; M488-L713 HydrophobicContact SD-CB 4.28Å; M488-L713 HydrophobicContact SD-CD2 4.07Å; M488-L713 HydrophobicContact SD-CG 4.14Å; M488-E714 HydrophobicContact CE-CG 3.53Å; M488-E714 WeakPolarHBondContact CE-OE1 3.4Å; M488-E714 HydrophobicContact SD-CG 3.81Å; M488-R717 VanDerWaalsContact C-NH1 3.26Å; M488-R717 PolarHBondContact O-NH1 3.45Å
489E88.2Confident87.4Confident127 Ų12787.3 Ų87.359%0.59342%0.415SS*.Hα-helixtrans-57.9-32.4177.6-176.2177-151.200112.7W485 A487W485-E489 WeakPolarHBondContact O-CB 3.34Å; W485-E489 PolarHBondContact O-N 2.9Å; A487-E489 PolarHBondContact O-N 2.81Å
490N84.6Confident87.7Confident126 Ų12680.4 Ų80.467%0.67439%0.385SS*.Hα-helixtrans-91.9-5.5176-71.9-85000113.4K486 A487 M488K486-N490 PolarHBondContact O-ND2 2.74Å; A487-N490 PolarHBondContact O-N 3.39Å; M488-N490 PolarHBondContact O-N 2.86Å
491Y89.2Confident88.1Confident63 Ų6377 Ų7725%0.24737%0.371CS..  trans-67.7135.2-179.1-171.2-86.8000111.5A487 M488 E714 R717 D718A487-Y491 PolarHBondContact O-N 3.16Å; A487-Y491 VanDerWaalsContact O-N 3.14Å; M488-Y491 WeakPolarHBondContact O-CB 2.83Å; M488-Y491 PolarHBondContact O-N 3.14Å; Y491-E714 HydrophobicContact CD2-CB 4.35Å; Y491-E714 HydrophobicContact CD2-CG 3.7Å; Y491-E714 WeakPolarHBondContact CD2-OE1 3.3Å; Y491-E714 HydrophobicContact CE1-CB 4.37Å; Y491-E714 HydrophobicContact CE2-CB 3.76Å; Y491-E714 HydrophobicContact CE2-CG 3.51Å; Y491-E714 WeakPolarHBondContact CE2-OE1 3.48Å; Y491-E714 HydrophobicContact CG-CG 4.36Å; Y491-R717 HydrophobicContact CD1-CB 4Å; Y491-R717 HydrophobicContact CE1-CB 4.15Å; Y491-D718 PolarHBondContact OH-OD1 3.39Å; Y491-D718 VanDerWaalsContact OH-OD1 3.1Å; Y491-D718 PolarHBondContact OH-OD2 3.49Å
492K83.4Confident88.2Confident176 Ų17680.5 Ų80.577%0.76540%0.396SS*.  trans-137.7126.6171.1-63.1-173.8-179.4-174.70108.3
493A82.2Confident88.4Confident2 Ų281.1 Ų81.12%0.01740%0.401CS..  trans-55.5143.7171.100000110.7Q495 W496 Y517 D718A493-Q495 PolarHBondContact O-N 2.94Å; A493-W496 VanDerWaalsContact O-CD1 3.28Å; A493-Y517 HydrophobicContact CB-CE2 4.21Å; A493-D718 WeakPolarHBondContact CA-OD1 3.44Å; A493-D718 WeakPolarHBondContact CB-OD1 3.48Å
494D78.9Confident88.5Confident159 Ų15979.3 Ų79.385%0.8541%0.405SS*.THydrogen-bonded Turntrans-61.8-25.8173.3-82.8-27.2000111.9
495Q71.6Confident88.7Confident82 Ų8282.6 Ų82.638%0.38342%0.421SS..THydrogen-bonded Turntrans-108.649.1-172.3-61.4-172.8-12.900113.1A493 S497A493-Q495 PolarHBondContact O-N 2.94Å; Q495-S497 VanDerWaalsContact C-N 3.29Å; Q495-S497 PolarHBondContact O-N 3.18Å
496W81.3Confident88.8Confident180 Ų18081.3 Ų81.368%0.68242%0.416SS*.  trans-78.911-170.458.1-87.4000116.8A493 Y517A493-W496 VanDerWaalsContact O-CD1 3.28Å; W496-Y517 HydrophobicContact CB-CE1 4.13Å
497S92.2Very high88.7Confident43 Ų4383.1 Ų83.130%0.30143%0.431SS..  trans-64.9135.8-176.9-167.90000112.3Q495 Y517 D518Q495-S497 VanDerWaalsContact C-N 3.29Å; Q495-S497 PolarHBondContact O-N 3.18Å; S497-Y517 CarbonylContact O-C 3.46Å; S497-Y517 VanDerWaalsContact O-CA 3.22Å; S497-Y517 WeakPolarHBondContact O-CA 3.45Å; S497-D518 WeakPolarHBondContact CB-OD2 3.36Å; S497-D518 PolarHBondContact O-N 3.42Å; S497-D518 PolarHBondContact OG-OD2 3.16Å
498T93.1Very high88.7Confident28 Ų2882.7 Ų82.717%0.17243%0.431CS..  trans-139.632.2-179.955.40000111.8A500 A501 S502 L515 Y517 D518 M721T498-A500 PolarHBondContact O-N 2.87Å; T498-A501 PolarHBondContact O-N 3.27Å; T498-S502 PolarHBondContact O-N 3.21Å; T498-S502 PolarHBondContact O-OG 3.24Å; T498-L515 HydrophobicContact CG2-CB 4.05Å; T498-Y517 HydrophobicContact CG2-CD1 3.84Å; T498-Y517 HydrophobicContact CG2-CE1 4.4Å; T498-D518 WeakPolarHBondContact CA-OD2 3.45Å; T498-D518 PolarHBondContact N-OD2 2.92Å; T498-D518 VanDerWaalsContact N-OD2 3.1Å; T498-M721 HydrophobicContact CG2-CE 3.6Å
499E93.6Very high89Confident146 Ų14682.6 Ų82.668%0.68243%0.431SS*.THydrogen-bonded Turntrans-64.1-40.4-175.7-65.7-172.6169.500111.8A501 S502 L503 D518E499-A501 VanDerWaalsContact C-N 3.32Å; E499-A501 PolarHBondContact O-N 2.99Å; E499-S502 CarbonylContact O-C 3.59Å; E499-S502 WeakPolarHBondContact O-CB 3.49Å; E499-S502 PolarHBondContact O-N 3.09Å; E499-L503 PolarHBondContact O-N 3.17Å; E499-D518 PolarHBondContact N-OD1 2.94Å; E499-D518 PolarHBondContact N-OD2 2.85Å
500A93.8Very high89.4Confident14 Ų1478.7 Ų78.712%0.11641%0.414CS..G310 helixtrans-64.6-37.9178.700000112.1T498 S502 L503 N506 D518T498-A500 PolarHBondContact O-N 2.87Å; A500-S502 PolarHBondContact O-N 2.96Å; A500-L503 PolarHBondContact O-N 2.96Å; A500-N506 PolarHBondContact O-ND2 3.48Å; A500-D518 WeakPolarHBondContact CB-OD1 3.43Å; A500-D518 PolarHBondContact N-OD1 2.8Å
501A94Very high89.8Confident3 Ų375.5 Ų75.53%0.02539%0.393CS..G310 helixtrans-69.5-17.4175.600000113.4T498 E499 N510 L515 P516 Y535T498-A501 PolarHBondContact O-N 3.27Å; E499-A501 VanDerWaalsContact C-N 3.32Å; E499-A501 PolarHBondContact O-N 2.99Å; A501-N510 PolarHBondContact O-ND2 3.39Å; A501-N510 VanDerWaalsContact O-ND2 3.16Å; A501-L515 HydrophobicContact CB-CB 3.94Å; A501-L515 HydrophobicContact CB-CD1 3.96Å; A501-L515 HydrophobicContact CB-CD2 4.27Å; A501-L515 HydrophobicContact CB-CG 4.27Å; A501-P516 HydrophobicContact CB-CG 4.45Å; A501-Y535 HydrophobicContact CB-CE2 3.7Å; A501-Y535 VanDerWaalsContact CB-OH 3.29Å; A501-Y535 WeakPolarHBondContact CB-OH 3.33Å
502S91.2Very high89.9Confident81 Ų8174.1 Ų74.157%0.56639%0.392SS*.G310 helixtrans-100.20.6-179-55.20000113.6T498 E499 A500T498-S502 PolarHBondContact O-N 3.21Å; T498-S502 PolarHBondContact O-OG 3.24Å; E499-S502 CarbonylContact O-C 3.59Å; E499-S502 WeakPolarHBondContact O-CB 3.49Å; E499-S502 PolarHBondContact O-N 3.09Å; A500-S502 PolarHBondContact O-N 2.96Å
503L94.3Very high90.3Very high75 Ų7572 Ų7239%0.39339%0.394SS..SBendtrans-69.4142.9179.9-66.7174.3000112.1E499 A500 E505 N506E499-L503 PolarHBondContact O-N 3.17Å; A500-L503 PolarHBondContact O-N 2.96Å; L503-E505 HydrophobicContact CB-CG 3.89Å; L503-E505 HydrophobicContact CD1-CG 4.41Å; L503-E505 PolarHBondContact O-N 3.32Å; L503-E505 VanDerWaalsContact O-N 3.07Å; L503-N506 PolarHBondContact O-N 3.5Å
504P92.9Very high90.9Very high122 Ų12272.2 Ų72.279%0.79240%0.395SS*.G310 helixtrans-59.7-20.6178.3-25.935.1000115.6N506P504-N506 VanDerWaalsContact C-N 3.26Å
505E92.9Very high91.7Very high119 Ų11965.9 Ų65.956%0.55636%0.361SS*.G310 helixtrans-74.1-15.2173.657173.2-13700113.8L503L503-E505 HydrophobicContact CB-CG 3.89Å; L503-E505 HydrophobicContact CD1-CG 4.41Å; L503-E505 PolarHBondContact O-N 3.32Å; L503-E505 VanDerWaalsContact O-N 3.07Å
506N94.7Very high92.9Very high1 Ų162 Ų621%0.00534%0.343CS..G310 helixtrans-110.86.7-178.6-59.7-36000112.3A500 L503 P504 K509 S533 Y535A500-N506 PolarHBondContact O-ND2 3.48Å; L503-N506 PolarHBondContact O-N 3.5Å; P504-N506 VanDerWaalsContact C-N 3.26Å; N506-K509 WeakPolarHBondContact O-CB 3.46Å; N506-K509 PolarHBondContact O-N 2.94Å; N506-S533 PolarHBondContact OD1-OG 3.21Å; N506-Y535 HydrophobicContact CB-CD1 3.72Å; N506-Y535 HydrophobicContact CB-CE1 4.21Å; N506-Y535 HydrophobicContact CB-CG 4Å; N506-Y535 VanDerWaalsContact CG-CB 3.41Å; N506-Y535 VanDerWaalsContact CG-CG 3.5Å; N506-Y535 WeakPolarHBondContact ND2-CB 3.5Å; N506-Y535 WeakPolarHBondContact OD1-CB 3.49Å
507D89.2Confident93.6Very high139 Ų13954.1 Ų54.174%0.74331%0.313SS*.THydrogen-bonded Turntrans-59.1139.2168.5-172.320.3000110.5K509D507-K509 PolarHBondContact O-N 2.87Å
508G91.6Very high93.7Very high46 Ų4654 Ų5447%0.47431%0.309SS..THydrogen-bonded Turntrans69.30.9-170.700000116.3
509K95.9Very high93.6Very high2 Ų258.7 Ų58.71%0.00933%0.329CS..SBendtrans-91.73.8170.5-68.1-165.9168.4-139.30114.6N506 D507 S533 Y535 Y560 T561 D564N506-K509 WeakPolarHBondContact O-CB 3.46Å; N506-K509 PolarHBondContact O-N 2.94Å; D507-K509 PolarHBondContact O-N 2.87Å; K509-S533 PolarHBondContact NZ-OG 3.49Å; K509-Y535 HydrophobicContact CB-CD1 3.89Å; K509-Y535 HydrophobicContact CB-CE1 4.02Å; K509-Y535 HydrophobicContact CD-CD1 3.83Å; K509-Y535 PolarHBondContact NZ-O 3.21Å; K509-Y560 HydrophobicContact CG-CD1 4.24Å; K509-Y560 HydrophobicContact CG-CE1 3.99Å; K509-T561 HydrophobicContact CB-CG2 4.04Å; K509-T561 HydrophobicContact CG-CG2 4.16Å; K509-D564 WeakPolarHBondContact CE-OD2 3.44Å; K509-D564 IonicContact NZ-OD1 2.71Å; K509-D564 IonicContact NZ-OD2 2.7Å; K509-D564 PolarHBondContact NZ-OD2 3.24Å
510N96.2Very high93.6Very high45 Ų4555.4 Ų55.424%0.24131%0.311CS..  trans-119.9127.5177.3-59-47.8000109.7A501 L515 Y535 E555A501-N510 PolarHBondContact O-ND2 3.39Å; A501-N510 VanDerWaalsContact O-ND2 3.16Å; N510-L515 HydrophobicContact CB-CD2 4.15Å; N510-Y535 VanDerWaalsContact OD1-CE1 3.28Å; N510-Y535 WeakPolarHBondContact OD1-CE1 3.28Å; N510-Y535 PolarHBondContact OD1-OH 3.31Å; N510-E555 WeakPolarHBondContact CA-OE2 3.41Å
511R93.6Very high93.7Very high60 Ų6056.8 Ų56.823%0.22631%0.313CS..SBendtrans-79.4-26.9172.8-178.3177-68.8-82.91.1112.7E555 G556 P557 E589 K590R511-E555 VanDerWaalsContact N-CD 3.31Å; R511-E555 PolarHBondContact N-OE1 2.77Å; R511-E555 VanDerWaalsContact N-OE1 3.17Å; R511-E555 PolarHBondContact N-OE2 3.17Å; R511-G556 PolarHBondContact NE-O 2.8Å; R511-P557 PolarHBondContact NH2-O 3.06Å; R511-E589 IonicContact CZ-OE2 2.61Å; R511-E589 VanDerWaalsContact CZ-OE2 3.26Å; R511-E589 PolarHBondContact NH1-O 2.75Å; R511-E589 IonicContact NH1-OE2 3.06Å; R511-E589 PolarHBondContact NH1-OE2 3.09Å; R511-E589 IonicContact NH2-OE2 3.76Å; R511-E589 PolarHBondContact NH2-OE2 2.77Å; R511-K590 VanDerWaalsContact CD-O 3.3Å; R511-K590 WeakPolarHBondContact CD-O 3.5Å; R511-K590 PolarHBondContact NE-O 3.31Å
512S91Very high93.8Very high34 Ų3456.8 Ų56.824%0.23831%0.313CS..SBendtrans-140.9175.7-172.4770000113V514S512-V514 PolarHBondContact O-N 3.49Å; S512-V514 WeakPolarHBondContact OG-CB 3.17Å; S512-V514 PolarHBondContact OG-N 2.94Å; S512-V514 VanDerWaalsContact OG-N 3.16Å
513T93Very high94.1Very high131 Ų13156.5 Ų56.580%0.80431%0.308SS*.SBendtrans-73.8-5.6171.749.10000113.9L515T513-L515 PolarHBondContact O-N 2.86Å
514V93.8Very high94.2Very high7 Ų753.2 Ų53.24%0.04229%0.291CS..  trans-82104.1175.1177.40000108.9S512 N537 D682 A684 M721 C722S512-V514 PolarHBondContact O-N 3.49Å; S512-V514 WeakPolarHBondContact OG-CB 3.17Å; S512-V514 PolarHBondContact OG-N 2.94Å; S512-V514 VanDerWaalsContact OG-N 3.16Å; V514-N537 PolarHBondContact O-ND2 2.92Å; V514-N537 PolarHBondContact O-OD1 3.02Å; V514-D682 HydrophobicContact CB-CB 4.35Å; V514-D682 HydrophobicContact CG2-CB 4.03Å; V514-A684 HydrophobicContact CB-CB 4.46Å; V514-A684 HydrophobicContact CG1-CB 3.54Å; V514-A684 HydrophobicContact CG2-CB 4.17Å; V514-M721 HydrophobicContact CB-CG 4.48Å; V514-M721 HydrophobicContact CG1-CG 3.93Å; V514-C722 HydrophobicContact CG2-CB 4.25Å
515L95.4Very high94.4Very high25 Ų2550.5 Ų50.513%0.13127%0.272CS..PPolyproline II helixtrans-103.2155-178.5-54.9-177.3000111.4T498 A501 N510 T513 M721T498-L515 HydrophobicContact CG2-CB 4.05Å; A501-L515 HydrophobicContact CB-CB 3.94Å; A501-L515 HydrophobicContact CB-CD1 3.96Å; A501-L515 HydrophobicContact CB-CD2 4.27Å; A501-L515 HydrophobicContact CB-CG 4.27Å; N510-L515 HydrophobicContact CB-CD2 4.15Å; T513-L515 PolarHBondContact O-N 2.86Å; L515-M721 HydrophobicContact CB-CE 3.88Å; L515-M721 PolarHBondContact N-SD 3.24Å; L515-M721 VanDerWaalsContact N-SD 3.4Å; L515-M721 WeakPolarHBondContact O-CG 3.32Å
516P96.5Very high94.6Very high0 Ų049.7 Ų49.70%027%0.267CS..PPolyproline II helixtrans-77.7145170.435.6-31.9000109.6A501 R521 Y535 N537 S539A501-P516 HydrophobicContact CB-CG 4.45Å; P516-R521 HydrophobicContact CB-CB 3.8Å; P516-R521 HydrophobicContact CG-CB 3.99Å; P516-Y535 VanDerWaalsContact CD-OH 3.23Å; P516-Y535 WeakPolarHBondContact CD-OH 3.49Å; P516-Y535 HydrophobicContact CG-CE2 3.9Å; P516-N537 VanDerWaalsContact CD-OD1 3.31Å; P516-N537 WeakPolarHBondContact CD-OD1 3.29Å; P516-S539 WeakPolarHBondContact CB-OG 3.39Å
517Y95.9Very high94.5Very high15 Ų1555 Ų556%0.05930%0.304CS..PPolyproline II helixtrans-70.5145171.2-60-50.2000110.8A493 W496 S497 T498 Q519 Y520 R521 R717 D718 M721A493-Y517 HydrophobicContact CB-CE2 4.21Å; W496-Y517 HydrophobicContact CB-CE1 4.13Å; S497-Y517 CarbonylContact O-C 3.46Å; S497-Y517 VanDerWaalsContact O-CA 3.22Å; S497-Y517 WeakPolarHBondContact O-CA 3.45Å; T498-Y517 HydrophobicContact CG2-CD1 3.84Å; T498-Y517 HydrophobicContact CG2-CE1 4.4Å; Y517-Q519 PolarHBondContact O-N 2.83Å; Y517-Q519 VanDerWaalsContact O-N 3.1Å; Y517-Y520 CarbonylContact O-C 3.54Å; Y517-Y520 WeakPolarHBondContact O-CA 3.28Å; Y517-Y520 PolarHBondContact O-N 2.74Å; Y517-R521 PolarHBondContact O-N 2.98Å; Y517-R717 VanDerWaalsContact CE2-O 3.31Å; Y517-R717 WeakPolarHBondContact CE2-O 3.34Å; Y517-R717 PolarHBondContact OH-O 2.96Å; Y517-D718 WeakPolarHBondContact CD2-O 3.36Å; Y517-M721 HydrophobicContact CE1-CB 3.95Å; Y517-M721 HydrophobicContact CE1-CE 4.21Å; Y517-M721 WeakPolarHBondContact OH-CA 3.49Å; Y517-M721 WeakPolarHBondContact OH-CB 3.46Å
518D95.1Very high94.7Very high40 Ų4051.1 Ų51.121%0.21429%0.287CS..THydrogen-bonded Turntrans-59.1-30.2-174.7-62.3-44.8000113.2S497 T498 E499 A500S497-D518 WeakPolarHBondContact CB-OD2 3.36Å; S497-D518 PolarHBondContact O-N 3.42Å; S497-D518 PolarHBondContact OG-OD2 3.16Å; T498-D518 WeakPolarHBondContact CA-OD2 3.45Å; T498-D518 PolarHBondContact N-OD2 2.92Å; T498-D518 VanDerWaalsContact N-OD2 3.1Å; E499-D518 PolarHBondContact N-OD1 2.94Å; E499-D518 PolarHBondContact N-OD2 2.85Å; A500-D518 WeakPolarHBondContact CB-OD1 3.43Å; A500-D518 PolarHBondContact N-OD1 2.8Å
519Q91.8Very high94.8Very high127 Ų12749.4 Ų49.459%0.59327%0.268SS*.THydrogen-bonded Turntrans-83.5-20.5176.4-57-171.253.100113.2Y517Y517-Q519 PolarHBondContact O-N 2.83Å; Y517-Q519 VanDerWaalsContact O-N 3.1Å
520Y92.4Very high94.6Very high77 Ų7753.7 Ų53.730%0.30229%0.287SS..SBendtrans-126.648.8-177.8-65.6-81.9000110.6Y517 S539 Q719Y517-Y520 CarbonylContact O-C 3.54Å; Y517-Y520 WeakPolarHBondContact O-CA 3.28Å; Y517-Y520 PolarHBondContact O-N 2.74Å; Y520-S539 VanDerWaalsContact O-CA 3.26Å; Y520-S539 WeakPolarHBondContact O-CA 3.49Å; Y520-S539 WeakPolarHBondContact O-CB 3.31Å; Y520-S539 PolarHBondContact O-OG 3.43Å; Y520-Q719 WeakPolarHBondContact CB-O 3.42Å; Y520-Q719 HydrophobicContact CD1-CB 4.32Å; Y520-Q719 HydrophobicContact CD1-CG 4.08Å; Y520-Q719 HydrophobicContact CE1-CG 4.02Å; Y520-Q719 HydrophobicContact CG-CB 4.42Å
521R95.4Very high94.4Very high43 Ų4355.8 Ų55.816%0.16230%0.296CS..  trans-111.7142.6170.974.9-177.2-171.197.3-12.2111.2P516 Y517 T523 D534 A538P516-R521 HydrophobicContact CB-CB 3.8Å; P516-R521 HydrophobicContact CG-CB 3.99Å; Y517-R521 PolarHBondContact O-N 2.98Å; R521-T523 PolarHBondContact O-N 2.63Å; R521-D534 IonicContact CZ-OD1 2.63Å; R521-D534 IonicContact NH1-OD1 3.09Å; R521-D534 PolarHBondContact NH1-OD1 3.47Å; R521-D534 IonicContact NH2-OD1 3.85Å; R521-D534 PolarHBondContact NH2-OD1 3.28Å; R521-D534 IonicContact NH2-OD2 2.74Å; R521-D534 PolarHBondContact NH2-OD2 2.93Å; R521-A538 CarbonylContact C-O 3.54Å; R521-A538 WeakPolarHBondContact CA-O 3.45Å
522V97.1Very high94.4Very high3 Ų354.9 Ų54.92%0.01831%0.305CS..  trans-66.8132.8163.9179.30000108L524 I536 A538 V552 M568 Q572V522-L524 HydrophobicContact CG1-CD2 4.21Å; V522-I536 HydrophobicContact CB-CG2 3.99Å; V522-I536 HydrophobicContact CG1-CG2 4.04Å; V522-A538 HydrophobicContact CB-CB 4.2Å; V522-A538 HydrophobicContact CG2-CB 3.88Å; V522-A538 PolarHBondContact N-O 3.32Å; V522-V552 HydrophobicContact CG2-CG1 3.85Å; V522-V552 HydrophobicContact CG2-CG2 4.48Å; V522-M568 HydrophobicContact CB-SD 4.38Å; V522-M568 HydrophobicContact CG1-CG 4.06Å; V522-M568 HydrophobicContact CG1-SD 4.18Å; V522-M568 HydrophobicContact CG2-SD 4.16Å; V522-Q572 HydrophobicContact CG1-CG 4.39Å
523T97.1Very high94.5Very high76 Ų7653.7 Ų53.747%0.46630%0.297SS..BIsolated β-bridgetrans-119.6116.9-178.6-58.10000108R521 D534R521-T523 PolarHBondContact O-N 2.63Å; T523-D534 WeakPolarHBondContact CA-O 3.33Å; T523-D534 HydrophobicContact CG2-CB 3.73Å
524L97.6Very high94.7Very high5 Ų548.3 Ų48.33%0.02626%0.263CS..  trans-86.7152.7-175.4-60.1-179.2000112.4V522 K526 D534 I536 D564 Q567 M568 E571V522-L524 HydrophobicContact CG1-CD2 4.21Å; L524-K526 PolarHBondContact O-N 2.86Å; L524-K526 VanDerWaalsContact O-N 3.08Å; L524-D534 PolarHBondContact N-O 3.5Å; L524-D534 WeakPolarHBondContact O-CA 3.43Å; L524-D534 VanDerWaalsContact O-CB 3.28Å; L524-D534 WeakPolarHBondContact O-CB 3.39Å; L524-I536 HydrophobicContact CD1-CB 4.06Å; L524-I536 HydrophobicContact CD1-CG2 4.02Å; L524-I536 HydrophobicContact CD2-CG2 4.13Å; L524-I536 HydrophobicContact CG-CB 4.48Å; L524-I536 HydrophobicContact CG-CG2 3.91Å; L524-D564 HydrophobicContact CD1-CB 3.84Å; L524-Q567 HydrophobicContact CD1-CB 4.47Å; L524-Q567 HydrophobicContact CD2-CG 4.28Å; L524-M568 HydrophobicContact CD2-CB 4.01Å; L524-E571 WeakPolarHBondContact CA-OE2 3.28Å
525T97.2Very high94.9Very high66 Ų6648 Ų4841%0.40526%0.261SS..  trans-70.1106.6176.2-430000111.2S527 S528 N529 Q567 E571T525-S527 VanDerWaalsContact C-N 3.27Å; T525-S527 WeakPolarHBondContact CG2-OG 3.45Å; T525-S527 PolarHBondContact O-N 2.85Å; T525-S527 VanDerWaalsContact O-N 3.16Å; T525-S528 PolarHBondContact O-N 3.01Å; T525-N529 PolarHBondContact O-N 2.88Å; T525-Q567 PolarHBondContact O-NE2 2.84Å; T525-E571 WeakPolarHBondContact CB-OE1 3.49Å; T525-E571 PolarHBondContact N-OE1 2.85Å; T525-E571 PolarHBondContact N-OE2 2.85Å; T525-E571 PolarHBondContact OG1-OE1 2.81Å; T525-E571 PolarHBondContact OG1-OE2 2.91Å
526K95.9Very high95.1Very high102 Ų10247.1 Ų47.144%0.44326%0.257SS..G310 helixtrans-51.1-41-178.8-63.8-165.6179.1-170.80114L524 S528 N529 G532 D534L524-K526 PolarHBondContact O-N 2.86Å; L524-K526 VanDerWaalsContact O-N 3.08Å; K526-S528 PolarHBondContact O-N 2.92Å; K526-N529 PolarHBondContact O-N 3.49Å; K526-G532 WeakPolarHBondContact CB-O 3.36Å; K526-G532 WeakPolarHBondContact CD-O 3.13Å; K526-G532 WeakPolarHBondContact CG-O 3.49Å; K526-D534 HydrophobicContact CD-CB 4.36Å; K526-D534 WeakPolarHBondContact CE-OD2 3.44Å; K526-D534 HydrophobicContact CG-CB 3.88Å; K526-D534 IonicContact NZ-OD2 2.65Å; K526-D534 PolarHBondContact NZ-OD2 2.83Å
527S93.8Very high95.1Very high113 Ų11347.2 Ų47.279%0.7926%0.257SS*.G310 helixtrans-68.1-15.9-179.659.50000114.5T525T525-S527 VanDerWaalsContact C-N 3.27Å; T525-S527 WeakPolarHBondContact CG2-OG 3.45Å; T525-S527 PolarHBondContact O-N 2.85Å; T525-S527 VanDerWaalsContact O-N 3.16Å
528S91.7Very high95.2Very high56 Ų5646.5 Ų46.539%0.39225%0.254SS..G310 helixtrans-109.5-1.5-180-530000112.4T525 K526T525-S528 PolarHBondContact O-N 3.01Å; K526-S528 PolarHBondContact O-N 2.92Å
529N94.7Very high95.4Very high11 Ų1144.6 Ų44.66%0.05924%0.244CC..SBendtrans-90.9138.9-177.2-175.5-99.7000111.8T525 K526 H531 G532 S533 D564 Q567T525-N529 PolarHBondContact O-N 2.88Å; K526-N529 PolarHBondContact O-N 3.49Å; N529-H531 PolarHBondContact O-N 3.23Å; N529-H531 WeakPolarHBondContact OD1-CA 3Å; N529-H531 PolarHBondContact OD1-N 2.58Å; N529-G532 PolarHBondContact O-N 3.46Å; N529-G532 VanDerWaalsContact O-N 3.17Å; N529-G532 PolarHBondContact OD1-N 2.94Å; N529-S533 VanDerWaalsContact CB-O 3.28Å; N529-S533 WeakPolarHBondContact CB-O 3.29Å; N529-S533 VanDerWaalsContact CG-O 3.25Å; N529-S533 PolarHBondContact OD1-N 3.49Å; N529-S533 PolarHBondContact OD1-O 2.81Å; N529-D564 PolarHBondContact ND2-OD1 2.74Å; N529-Q567 VanDerWaalsContact CA-OE1 3.3Å; N529-Q567 PolarHBondContact ND2-OE1 2.87Å
530Q92.4Very high95.6Very high91 Ų9139.8 Ų39.843%0.42522%0.224SC..THydrogen-bonded Turntrans-55.8-28.9-179.6-176.1173.5-67.400113.8H604Q530-H604 HydrophobicContact CB-CB 4.26Å
531H91.8Very high95.8Very high89 Ų8936.1 Ų36.141%0.41221%0.21SC..THydrogen-bonded Turntrans-116.46.1-175.9-66.1-67.5000113.4N529 S533 Y560N529-H531 PolarHBondContact O-N 3.23Å; N529-H531 WeakPolarHBondContact OD1-CA 3Å; N529-H531 PolarHBondContact OD1-N 2.58Å; H531-S533 PolarHBondContact O-N 2.93Å; H531-Y560 AromaticContact CD2-CE2 3.97Å; H531-Y560 AromaticContact CE1-CE2 3.86Å; H531-Y560 AromaticContact NE2-CE2 3.45Å; H531-Y560 WeakPolarHBondContact NE2-CE2 3.45Å; H531-Y560 AromaticContact NE2-CZ 3.95Å
532G92.6Very high95.7Very high41 Ų4134.9 Ų34.942%0.42321%0.207SC..SBendtrans69.18.1-176.600000114.9K526 N529K526-G532 WeakPolarHBondContact CB-O 3.36Å; K526-G532 WeakPolarHBondContact CD-O 3.13Å; K526-G532 WeakPolarHBondContact CG-O 3.49Å; N529-G532 PolarHBondContact O-N 3.46Å; N529-G532 VanDerWaalsContact O-N 3.17Å; N529-G532 PolarHBondContact OD1-N 2.94Å
533S94.3Very high95.3Very high9 Ų935.2 Ų35.26%0.06321%0.209CC..  trans-86153.5179.8172.10000110.7N506 K509 N529 H531 Y535N506-S533 PolarHBondContact OD1-OG 3.21Å; K509-S533 PolarHBondContact NZ-OG 3.49Å; N529-S533 VanDerWaalsContact CB-O 3.28Å; N529-S533 WeakPolarHBondContact CB-O 3.29Å; N529-S533 VanDerWaalsContact CG-O 3.25Å; N529-S533 PolarHBondContact OD1-N 3.49Å; N529-S533 PolarHBondContact OD1-O 2.81Å; H531-S533 PolarHBondContact O-N 2.93Å; S533-Y535 PolarHBondContact OG-N 2.88Å
534D96.9Very high94.7Very high19 Ų1938 Ų3810%0.10222%0.216CC..  trans-98.1-1.8168.964.742000113.1R521 T523 L524 K526R521-D534 IonicContact CZ-OD1 2.63Å; R521-D534 IonicContact NH1-OD1 3.09Å; R521-D534 PolarHBondContact NH1-OD1 3.47Å; R521-D534 IonicContact NH2-OD1 3.85Å; R521-D534 PolarHBondContact NH2-OD1 3.28Å; R521-D534 IonicContact NH2-OD2 2.74Å; R521-D534 PolarHBondContact NH2-OD2 2.93Å; T523-D534 WeakPolarHBondContact CA-O 3.33Å; T523-D534 HydrophobicContact CG2-CB 3.73Å; L524-D534 PolarHBondContact N-O 3.5Å; L524-D534 WeakPolarHBondContact O-CA 3.43Å; L524-D534 VanDerWaalsContact O-CB 3.28Å; L524-D534 WeakPolarHBondContact O-CB 3.39Å; K526-D534 HydrophobicContact CD-CB 4.36Å; K526-D534 WeakPolarHBondContact CE-OD2 3.44Å; K526-D534 HydrophobicContact CG-CB 3.88Å; K526-D534 IonicContact NZ-OD2 2.65Å; K526-D534 PolarHBondContact NZ-OD2 2.83Å
535Y97.9Very high94Very high0 Ų039.4 Ų39.40%022%0.224CC..BIsolated β-bridgetrans-94.7133.6-166.5-175.8-96.2000113.3A501 N506 K509 N510 P516 S533 N537A501-Y535 HydrophobicContact CB-CE2 3.7Å; A501-Y535 VanDerWaalsContact CB-OH 3.29Å; A501-Y535 WeakPolarHBondContact CB-OH 3.33Å; N506-Y535 HydrophobicContact CB-CD1 3.72Å; N506-Y535 HydrophobicContact CB-CE1 4.21Å; N506-Y535 HydrophobicContact CB-CG 4Å; N506-Y535 VanDerWaalsContact CG-CB 3.41Å; N506-Y535 VanDerWaalsContact CG-CG 3.5Å; N506-Y535 WeakPolarHBondContact ND2-CB 3.5Å; N506-Y535 WeakPolarHBondContact OD1-CB 3.49Å; K509-Y535 HydrophobicContact CB-CD1 3.89Å; K509-Y535 HydrophobicContact CB-CE1 4.02Å; K509-Y535 HydrophobicContact CD-CD1 3.83Å; K509-Y535 PolarHBondContact NZ-O 3.21Å; N510-Y535 VanDerWaalsContact OD1-CE1 3.28Å; N510-Y535 WeakPolarHBondContact OD1-CE1 3.28Å; N510-Y535 PolarHBondContact OD1-OH 3.31Å; P516-Y535 VanDerWaalsContact CD-OH 3.23Å; P516-Y535 WeakPolarHBondContact CD-OH 3.49Å; P516-Y535 HydrophobicContact CG-CE2 3.9Å; S533-Y535 PolarHBondContact OG-N 2.88Å; Y535-N537 HydrophobicContact CE1-CB 4.47Å
536I98Very high93.3Very high7 Ų741.5 Ų41.54%0.03624%0.238CC..  trans-142.7143.6162.9-178.5163.1000108.3V522 L524 A538 D564 F565 M568V522-I536 HydrophobicContact CB-CG2 3.99Å; V522-I536 HydrophobicContact CG1-CG2 4.04Å; L524-I536 HydrophobicContact CD1-CB 4.06Å; L524-I536 HydrophobicContact CD1-CG2 4.02Å; L524-I536 HydrophobicContact CD2-CG2 4.13Å; L524-I536 HydrophobicContact CG-CB 4.48Å; L524-I536 HydrophobicContact CG-CG2 3.91Å; I536-A538 VanDerWaalsContact C-N 3.26Å; I536-A538 HydrophobicContact CG2-CB 4.41Å; I536-A538 PolarHBondContact O-N 2.89Å; I536-D564 HydrophobicContact CD1-CB 4.14Å; I536-F565 HydrophobicContact CD1-CB 4.29Å; I536-M568 HydrophobicContact CD1-CB 4.11Å; I536-M568 HydrophobicContact CD1-CE 4.03Å; I536-M568 HydrophobicContact CD1-SD 4.06Å; I536-M568 HydrophobicContact CG2-SD 4.39Å
537N97.9Very high92.7Very high1 Ų145.1 Ų45.11%0.00525%0.249CC..SBendtrans-75.778.5174.5-174.90.5000111.3V514 P516 Y535 E555 R720V514-N537 PolarHBondContact O-ND2 2.92Å; V514-N537 PolarHBondContact O-OD1 3.02Å; P516-N537 VanDerWaalsContact CD-OD1 3.31Å; P516-N537 WeakPolarHBondContact CD-OD1 3.29Å; Y535-N537 HydrophobicContact CE1-CB 4.47Å; N537-E555 HydrophobicContact CB-CB 4.47Å; N537-E555 HydrophobicContact CB-CG 3.89Å; N537-E555 WeakPolarHBondContact CB-OE2 3.5Å; N537-E555 PolarHBondContact ND2-OE2 3.47Å; N537-E555 PolarHBondContact O-N 2.83Å; N537-E555 VanDerWaalsContact O-N 3.14Å; N537-R720 VanDerWaalsContact OD1-CZ 3.32Å; N537-R720 PolarHBondContact OD1-NH1 2.99Å; N537-R720 PolarHBondContact OD1-NH2 2.79Å
538A98.2Very high92.4Very high0 Ų044.6 Ų44.60%023%0.231CC..EExtended strand (participates in β ladder)trans-148.8149.5174.600000111.8R521 V522 I536 V552 A553 A554 M568R521-A538 CarbonylContact C-O 3.54Å; R521-A538 WeakPolarHBondContact CA-O 3.45Å; V522-A538 HydrophobicContact CB-CB 4.2Å; V522-A538 HydrophobicContact CG2-CB 3.88Å; V522-A538 PolarHBondContact N-O 3.32Å; I536-A538 VanDerWaalsContact C-N 3.26Å; I536-A538 HydrophobicContact CG2-CB 4.41Å; I536-A538 PolarHBondContact O-N 2.89Å; A538-V552 HydrophobicContact CB-CG1 3.89Å; A538-A553 CarbonylContact C-O 3.6Å; A538-A553 VanDerWaalsContact CA-O 3.27Å; A538-A553 WeakPolarHBondContact CA-O 3.27Å; A538-A554 HydrophobicContact CB-CB 3.69Å; A538-M568 HydrophobicContact CB-CE 4.22Å; A538-M568 HydrophobicContact CB-SD 3.45Å; A538-M568 WeakPolarHBondContact CB-SD 3.36Å
539S97.9Very high92.5Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-126.6128.5-178.9-62.80000111.3P516 Y520 V552 A553 R720P516-S539 WeakPolarHBondContact CB-OG 3.39Å; Y520-S539 VanDerWaalsContact O-CA 3.26Å; Y520-S539 WeakPolarHBondContact O-CA 3.49Å; Y520-S539 WeakPolarHBondContact O-CB 3.31Å; Y520-S539 PolarHBondContact O-OG 3.43Å; S539-V552 CarbonylContact O-C 3.58Å; S539-V552 WeakPolarHBondContact O-CA 3.1Å; S539-A553 PolarHBondContact N-O 2.92Å; S539-A553 PolarHBondContact O-N 3.28Å; S539-R720 PolarHBondContact OG-NH1 3.46Å
540P96.8Very high92.5Very high27 Ų2744.1 Ų44.118%0.17523%0.227CC..EExtended strand (participates in β ladder)trans-70.1130.8169.430.2-32.3000109.9P549P540-P549 HydrophobicContact CB-CB 3.78Å; P540-P549 HydrophobicContact CB-CG 4.04Å
541I96.4Very high92.7Very high0 Ų039.9 Ų39.90%021%0.207CC..EExtended strand (participates in β ladder)trans-115.6119.3-177.8-51.4-60.7000110.2V550 Y551 A553 I691 M695 L716 Q719 R720 M723I541-V550 PolarHBondContact O-N 3.43Å; I541-Y551 HydrophobicContact CB-CD2 4.13Å; I541-Y551 HydrophobicContact CG2-CD2 4.05Å; I541-Y551 PolarHBondContact N-O 2.97Å; I541-Y551 PolarHBondContact O-N 2.88Å; I541-A553 HydrophobicContact CD1-CB 4.21Å; I541-A553 HydrophobicContact CG1-CB 3.84Å; I541-I691 HydrophobicContact CG1-CD1 4.47Å; I541-I691 HydrophobicContact CG2-CG2 4.26Å; I541-M695 HydrophobicContact CG2-CE 4.25Å; I541-L716 HydrophobicContact CG2-CD2 3.5Å; I541-Q719 HydrophobicContact CD1-CB 3.74Å; I541-R720 HydrophobicContact CD1-CB 4.19Å; I541-M723 HydrophobicContact CD1-CE 4.29Å; I541-M723 HydrophobicContact CG1-CE 4.48Å
542C93.1Very high93Very high16 Ų1635.6 Ų35.611%0.10819%0.187CC..  trans-98.7143179.1-62.90000111.4H715 Q719C542-H715 PolarHBondContact O-NE2 3.32Å; C542-Q719 PolarHBondContact O-NE2 2.85Å
543D89.4Confident93.3Very high10 Ų1033.7 Ų33.75%0.05317%0.167CC..SBendtrans-95.1-63.5175.4166.836.2000111.9V550 M695 R699 K702D543-V550 HydrophobicContact CB-CG2 3.88Å; D543-M695 HydrophobicContact CB-CE 4.25Å; D543-M695 HydrophobicContact CB-CG 4.43Å; D543-R699 PolarHBondContact O-NH2 3.39Å; D543-R699 VanDerWaalsContact O-NH2 3.08Å; D543-R699 IonicContact OD1-CZ 3.52Å; D543-R699 VanDerWaalsContact OD1-CZ 3.3Å; D543-R699 IonicContact OD1-NE 2.65Å; D543-R699 PolarHBondContact OD1-NE 2.95Å; D543-R699 IonicContact OD1-NH2 3.72Å; D543-R699 PolarHBondContact OD1-NH2 3.33Å; D543-K702 IonicContact OD2-NZ 3.3Å; D543-K702 PolarHBondContact OD2-NZ 2.98Å
544H83.6Confident93.5Very high135 Ų13533.3 Ų33.363%0.62517%0.165SC*.SBendtrans-137.5-17.4-171.363.1-78.4000113.8K702H544-K702 PolarHBondContact CE1-NZ 3.39Å; H544-K702 VanDerWaalsContact CE1-NZ 3.34Å; H544-K702 PolarHBondContact ND1-NZ 3.43Å; H544-K702 VanDerWaalsContact ND1-NZ 3.19Å
545D83Confident93.5Very high34 Ų3432.8 Ų32.818%0.18216%0.161CC..  trans-121.1113173.5-170.7-20.3000108.1R547 Y548D545-R547 PolarHBondContact O-N 2.97Å; D545-R547 VanDerWaalsContact OD1-CB 3.29Å; D545-R547 WeakPolarHBondContact OD1-CB 3.44Å; D545-R547 WeakPolarHBondContact OD1-CG 3.44Å; D545-R547 IonicContact OD1-CZ 3.16Å; D545-R547 PolarHBondContact OD1-N 3.34Å; D545-R547 IonicContact OD1-NE 3.67Å; D545-R547 PolarHBondContact OD1-NE 2.9Å; D545-R547 IonicContact OD1-NH2 3.69Å; D545-R547 IonicContact OD2-CZ 2.74Å; D545-R547 IonicContact OD2-NE 2.69Å; D545-R547 PolarHBondContact OD2-NE 3.07Å; D545-R547 IonicContact OD2-NH2 3.41Å; D545-R547 PolarHBondContact OD2-NH2 2.9Å; D545-Y548 PolarHBondContact O-N 3.38Å
546P83.2Confident93.5Very high110 Ų11032.8 Ų32.871%0.71416%0.161SC*.THydrogen-bonded Turntrans-71.9-7.2-177.930.3-35.8000113.3
547R84.1Confident93.4Very high178 Ų17832.5 Ų32.567%0.67216%0.16SC*.THydrogen-bonded Turntrans-85.3-17.2-179.4-55.6171-64.1171.94.8113.3D545D545-R547 PolarHBondContact O-N 2.97Å; D545-R547 VanDerWaalsContact OD1-CB 3.29Å; D545-R547 WeakPolarHBondContact OD1-CB 3.44Å; D545-R547 WeakPolarHBondContact OD1-CG 3.44Å; D545-R547 IonicContact OD1-CZ 3.16Å; D545-R547 PolarHBondContact OD1-N 3.34Å; D545-R547 IonicContact OD1-NE 3.67Å; D545-R547 PolarHBondContact OD1-NE 2.9Å; D545-R547 IonicContact OD1-NH2 3.69Å; D545-R547 IonicContact OD2-CZ 2.74Å; D545-R547 IonicContact OD2-NE 2.69Å; D545-R547 PolarHBondContact OD2-NE 3.07Å; D545-R547 IonicContact OD2-NH2 3.41Å; D545-R547 PolarHBondContact OD2-NH2 2.9Å
548Y86.6Confident93.3Very high103 Ų10333.5 Ų33.540%0.40417%0.167SC..SBendtrans-136.994.4-174.8-60.1-64.9000109.4D545 V550 Q673D545-Y548 PolarHBondContact O-N 3.38Å; Y548-V550 PolarHBondContact O-N 3.25Å; Y548-Q673 HydrophobicContact CD1-CB 4.39Å; Y548-Q673 HydrophobicContact CD1-CG 3.88Å; Y548-Q673 HydrophobicContact CE1-CG 3.93Å; Y548-Q673 VanDerWaalsContact CE1-NE2 3.29Å; Y548-Q673 HydrophobicContact CG-CG 4.49Å; Y548-Q673 PolarHBondContact OH-NE2 3.05Å
549P92.9Very high93.2Very high30 Ų3036.7 Ų36.720%0.19519%0.194CC..  trans-59.5136.3175.525-33.1000110P540P540-P549 HydrophobicContact CB-CB 3.78Å; P540-P549 HydrophobicContact CB-CG 4.04Å
550V94.7Very high93Very high27 Ų2741.6 Ų41.616%0.16421%0.213CC..SBendtrans-85.9-28.7180-172.80000110I541 D543 Y548 P675 I676I541-V550 PolarHBondContact O-N 3.43Å; D543-V550 HydrophobicContact CB-CG2 3.88Å; Y548-V550 PolarHBondContact O-N 3.25Å; V550-P675 WeakPolarHBondContact O-CA 3.49Å; V550-I676 PolarHBondContact O-N 3.18Å
551Y97.3Very high93Very high1 Ų140.5 Ų40.50%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-136.3162.1-179.8-32.5-79.9000110.9I541 I676 I678 I691 D694 M695I541-Y551 HydrophobicContact CB-CD2 4.13Å; I541-Y551 HydrophobicContact CG2-CD2 4.05Å; I541-Y551 PolarHBondContact N-O 2.97Å; I541-Y551 PolarHBondContact O-N 2.88Å; Y551-I676 CarbonylContact C-O 3.59Å; Y551-I676 WeakPolarHBondContact CA-O 3.48Å; Y551-I676 HydrophobicContact CD1-CB 4.39Å; Y551-I678 HydrophobicContact CD1-CD1 3.64Å; Y551-I678 HydrophobicContact CE1-CD1 4.47Å; Y551-I678 HydrophobicContact CG-CD1 4.05Å; Y551-I691 HydrophobicContact CD2-CG1 4.39Å; Y551-I691 HydrophobicContact CD2-CG2 3.82Å; Y551-I691 HydrophobicContact CE2-CG2 3.9Å; Y551-I691 HydrophobicContact CG-CD1 4.43Å; Y551-I691 HydrophobicContact CG-CG1 4.23Å; Y551-I691 HydrophobicContact CG-CG2 4.48Å; Y551-D694 WeakPolarHBondContact CE1-OD2 3.08Å; Y551-D694 PolarHBondContact OH-OD2 3.17Å; Y551-M695 HydrophobicContact CE2-CE 4.12Å
552V98Very high93.1Very high0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-123.7114.8161.9169.20000107V522 A538 S539 M568 P675 I676 I677 I678V522-V552 HydrophobicContact CG2-CG1 3.85Å; V522-V552 HydrophobicContact CG2-CG2 4.48Å; A538-V552 HydrophobicContact CB-CG1 3.89Å; S539-V552 CarbonylContact O-C 3.58Å; S539-V552 WeakPolarHBondContact O-CA 3.1Å; V552-M568 HydrophobicContact CG1-CE 4.39Å; V552-M568 HydrophobicContact CG1-SD 3.72Å; V552-P675 HydrophobicContact CG2-CB 4.03Å; V552-P675 HydrophobicContact CG2-CG 4.06Å; V552-I676 PolarHBondContact N-O 3.25Å; V552-I677 HydrophobicContact CB-CG1 4.01Å; V552-I677 HydrophobicContact CG1-CG1 4.39Å; V552-I677 WeakPolarHBondContact O-CA 2.84Å; V552-I678 PolarHBondContact O-N 3.36Å
553A98.5Very high93.3Very high0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-87116.2176.800000109.1A538 S539 I541 I678 T687 I691 M723A538-A553 CarbonylContact C-O 3.6Å; A538-A553 VanDerWaalsContact CA-O 3.27Å; A538-A553 WeakPolarHBondContact CA-O 3.27Å; S539-A553 PolarHBondContact N-O 2.92Å; S539-A553 PolarHBondContact O-N 3.28Å; I541-A553 HydrophobicContact CD1-CB 4.21Å; I541-A553 HydrophobicContact CG1-CB 3.84Å; A553-I678 WeakPolarHBondContact CA-O 3.35Å; A553-T687 HydrophobicContact CB-CG2 3.7Å; A553-I691 HydrophobicContact CB-CD1 3.98Å; A553-M723 HydrophobicContact CB-CE 4.26Å
554A98.3Very high93.7Very high2 Ų240 Ų402%0.01720%0.204CC..EExtended strand (participates in β ladder)trans-127.7155.8-174.100000112.1A538 M568 I678 H679 G683A538-A554 HydrophobicContact CB-CB 3.69Å; A554-M568 HydrophobicContact CB-CE 3.93Å; A554-I678 PolarHBondContact N-O 2.69Å; A554-H679 HydrophobicContact CB-CB 4.34Å; A554-H679 VanDerWaalsContact O-CA 3.29Å; A554-H679 WeakPolarHBondContact O-CA 3.48Å; A554-H679 WeakPolarHBondContact O-CB 3.37Å; A554-G683 WeakPolarHBondContact O-CA 3.47Å
555E97.3Very high94.4Very high7 Ų733.7 Ų33.73%0.03318%0.175CC..PPolyproline II helixtrans-69.1163.8166.775.5172.4-149.600111.9N510 R511 N537 P557 S681N510-E555 WeakPolarHBondContact CA-OE2 3.41Å; R511-E555 VanDerWaalsContact N-CD 3.31Å; R511-E555 PolarHBondContact N-OE1 2.77Å; R511-E555 VanDerWaalsContact N-OE1 3.17Å; R511-E555 PolarHBondContact N-OE2 3.17Å; N537-E555 HydrophobicContact CB-CB 4.47Å; N537-E555 HydrophobicContact CB-CG 3.89Å; N537-E555 WeakPolarHBondContact CB-OE2 3.5Å; N537-E555 PolarHBondContact ND2-OE2 3.47Å; N537-E555 PolarHBondContact O-N 2.83Å; N537-E555 VanDerWaalsContact O-N 3.14Å; E555-P557 WeakPolarHBondContact O-CD 3.22Å; E555-S681 WeakPolarHBondContact CA-O 3.35Å; E555-S681 WeakPolarHBondContact CB-O 3.26Å
556G97.6Very high95.1Very high0 Ų032.1 Ų32.10%017%0.166CC..PPolyproline II helixtrans-70.3117.7170.400000110.3R511 C680 S681R511-G556 PolarHBondContact NE-O 2.8Å; G556-C680 WeakPolarHBondContact CA-O 3.31Å; G556-C680 PolarHBondContact N-O 2.63Å; G556-C680 VanDerWaalsContact N-O 3.09Å; G556-S681 PolarHBondContact N-O 3.24Å
557P97.6Very high95.8Very high2 Ų227 Ų271%0.01313%0.132CC..PPolyproline II helixtrans-51.9149.6-174.1-31.237.6000113.5R511 E555 F565 F592 Y594R511-P557 PolarHBondContact NH2-O 3.06Å; E555-P557 WeakPolarHBondContact O-CD 3.22Å; P557-F565 HydrophobicContact CB-CB 4.31Å; P557-F565 HydrophobicContact CB-CG 4.47Å; P557-F565 HydrophobicContact CG-CB 3.82Å; P557-F565 HydrophobicContact CG-CD1 4.08Å; P557-F565 HydrophobicContact CG-CD2 3.42Å; P557-F565 VanDerWaalsContact CG-CD2 3.42Å; P557-F565 HydrophobicContact CG-CE2 3.93Å; P557-F565 HydrophobicContact CG-CG 3.5Å; P557-F565 VanDerWaalsContact CG-CG 3.5Å; P557-F565 HydrophobicContact CG-CZ 4.45Å; P557-F592 WeakPolarHBondContact O-CB 3.29Å; P557-F592 PolarHBondContact O-N 2.94Å; P557-Y594 HydrophobicContact CB-CD1 4.07Å; P557-Y594 HydrophobicContact CB-CG 4.47Å; P557-Y594 HydrophobicContact CG-CD1 3.66Å; P557-Y594 HydrophobicContact CG-CE1 4.07Å; P557-Y594 HydrophobicContact CG-CG 4.17Å
558S95.7Very high96.5Very high22 Ų2218.5 Ų18.515%0.15410%0.1CC..PPolyproline II helixtrans-97.7169.5168.376.60000110.4Y560 T561 A562 F592S558-Y560 PolarHBondContact O-N 2.74Å; S558-Y560 PolarHBondContact OG-N 2.97Å; S558-Y560 VanDerWaalsContact OG-N 3.14Å; S558-T561 PolarHBondContact N-OG1 2.86Å; S558-T561 PolarHBondContact O-N 2.88Å; S558-T561 PolarHBondContact OG-N 3.13Å; S558-T561 VanDerWaalsContact OG-N 3.09Å; S558-T561 PolarHBondContact OG-OG1 2.83Å; S558-A562 WeakPolarHBondContact O-CB 3.27Å; S558-A562 PolarHBondContact O-N 3.09Å; S558-F592 VanDerWaalsContact C-CB 3.49Å
559A94.9Very high97Very high67 Ų6713.6 Ų13.655%0.5548%0.081SC*.THydrogen-bonded Turntrans-58.1-17.5170.500000113.1F592A559-F592 HydrophobicContact CB-CD1 4.44Å; A559-F592 HydrophobicContact CB-CD2 3.71Å; A559-F592 HydrophobicContact CB-CE2 3.82Å; A559-F592 HydrophobicContact CB-CG 4.05Å; A559-F592 HydrophobicContact CB-CZ 4.24Å
560Y94.7Very high97.2Very high103 Ų10313.3 Ų13.340%0.4048%0.076SC..THydrogen-bonded Turntrans-91.1-41.3175.2-170-126.9000112.5K509 H531 S558K509-Y560 HydrophobicContact CG-CD1 4.24Å; K509-Y560 HydrophobicContact CG-CE1 3.99Å; H531-Y560 AromaticContact CD2-CE2 3.97Å; H531-Y560 AromaticContact CE1-CE2 3.86Å; H531-Y560 AromaticContact NE2-CE2 3.45Å; H531-Y560 WeakPolarHBondContact NE2-CE2 3.45Å; H531-Y560 AromaticContact NE2-CZ 3.95Å; S558-Y560 PolarHBondContact O-N 2.74Å; S558-Y560 PolarHBondContact OG-N 2.97Å; S558-Y560 VanDerWaalsContact OG-N 3.14Å
561T96.8Very high97.3Very high3 Ų314.7 Ų14.72%0.0188%0.081CC..THydrogen-bonded Turntrans-90.5-1.2-176.7550000114.4K509 S558 A563 D564 F565K509-T561 HydrophobicContact CB-CG2 4.04Å; K509-T561 HydrophobicContact CG-CG2 4.16Å; S558-T561 PolarHBondContact N-OG1 2.86Å; S558-T561 PolarHBondContact O-N 2.88Å; S558-T561 PolarHBondContact OG-N 3.13Å; S558-T561 VanDerWaalsContact OG-N 3.09Å; S558-T561 PolarHBondContact OG-OG1 2.83Å; T561-A563 VanDerWaalsContact C-N 3.29Å; T561-A563 PolarHBondContact O-N 3.27Å; T561-D564 WeakPolarHBondContact O-CB 3.28Å; T561-D564 PolarHBondContact O-N 2.93Å; T561-D564 VanDerWaalsContact O-N 3.13Å; T561-F565 PolarHBondContact O-N 3.15Å
562A97.4Very high97.2Very high4 Ų417.2 Ų17.23%0.0339%0.093CC..Hα-helixtrans-57.1-36.3177.900000114S558 W566 F592 Y603S558-A562 WeakPolarHBondContact O-CB 3.27Å; S558-A562 PolarHBondContact O-N 3.09Å; A562-W566 VanDerWaalsContact O-CD1 3.26Å; A562-W566 PolarHBondContact O-N 3.3Å; A562-F592 HydrophobicContact CB-CD1 4.06Å; A562-F592 HydrophobicContact CB-CE1 4.21Å; A562-Y603 HydrophobicContact CB-CD1 4.44Å
563A97.4Very high97.1Very high11 Ų1118.5 Ų18.59%0.09111%0.106CC..Hα-helixtrans-70.6-42.2174.800000112.3T561 F565 W566 Q567 H604T561-A563 VanDerWaalsContact C-N 3.29Å; T561-A563 PolarHBondContact O-N 3.27Å; A563-F565 VanDerWaalsContact C-N 3.27Å; A563-F565 PolarHBondContact O-N 3.29Å; A563-W566 PolarHBondContact O-N 2.88Å; A563-Q567 PolarHBondContact O-N 2.92Å; A563-H604 HydrophobicContact CB-CB 3.98Å
564D97.9Very high97Very high1 Ų118.5 Ų18.51%0.00511%0.106CC..Hα-helixtrans-61.6-36.8175-61.2-17.3000111K509 L524 N529 I536 T561 Q567 M568K509-D564 WeakPolarHBondContact CE-OD2 3.44Å; K509-D564 IonicContact NZ-OD1 2.71Å; K509-D564 IonicContact NZ-OD2 2.7Å; K509-D564 PolarHBondContact NZ-OD2 3.24Å; L524-D564 HydrophobicContact CD1-CB 3.84Å; N529-D564 PolarHBondContact ND2-OD1 2.74Å; I536-D564 HydrophobicContact CD1-CB 4.14Å; T561-D564 WeakPolarHBondContact O-CB 3.28Å; T561-D564 PolarHBondContact O-N 2.93Å; T561-D564 VanDerWaalsContact O-N 3.13Å; D564-Q567 WeakPolarHBondContact O-CB 3.4Å; D564-Q567 PolarHBondContact O-N 3.32Å; D564-M568 PolarHBondContact O-N 3.24Å
565F98.4Very high96.9Very high3 Ų319.9 Ų19.91%0.01311%0.113CC..Hα-helixtrans-65.3-44.2176.3-177.9-91.7000112.3I536 P557 T561 A563 Q567 M568 V569 I577 Y594 I677I536-F565 HydrophobicContact CD1-CB 4.29Å; P557-F565 HydrophobicContact CB-CB 4.31Å; P557-F565 HydrophobicContact CB-CG 4.47Å; P557-F565 HydrophobicContact CG-CB 3.82Å; P557-F565 HydrophobicContact CG-CD1 4.08Å; P557-F565 HydrophobicContact CG-CD2 3.42Å; P557-F565 VanDerWaalsContact CG-CD2 3.42Å; P557-F565 HydrophobicContact CG-CE2 3.93Å; P557-F565 HydrophobicContact CG-CG 3.5Å; P557-F565 VanDerWaalsContact CG-CG 3.5Å; P557-F565 HydrophobicContact CG-CZ 4.45Å; T561-F565 PolarHBondContact O-N 3.15Å; A563-F565 VanDerWaalsContact C-N 3.27Å; A563-F565 PolarHBondContact O-N 3.29Å; F565-Q567 VanDerWaalsContact C-N 3.32Å; F565-Q567 PolarHBondContact O-N 3.43Å; F565-M568 HydrophobicContact CD2-CE 3.52Å; F565-M568 HydrophobicContact CE2-CE 3.69Å; F565-M568 HydrophobicContact CG-CE 4.4Å; F565-M568 WeakPolarHBondContact O-CB 3.39Å; F565-M568 PolarHBondContact O-N 3.09Å; F565-V569 HydrophobicContact CD1-CG2 4.13Å; F565-V569 HydrophobicContact CE1-CG2 3.83Å; F565-V569 HydrophobicContact CZ-CG2 4.34Å; F565-V569 WeakPolarHBondContact O-CG2 3.49Å; F565-V569 PolarHBondContact O-N 2.92Å; F565-I577 HydrophobicContact CE1-CD1 4.1Å; F565-I577 HydrophobicContact CZ-CD1 4.41Å; F565-I577 HydrophobicContact CZ-CG2 4.17Å; F565-Y594 AromaticContact CD1-CD2 3.89Å; F565-Y594 HydrophobicContact CD1-CD2 3.89Å; F565-Y594 HydrophobicContact CD1-CE2 4.1Å; F565-Y594 HydrophobicContact CD1-CG 4.31Å; F565-Y594 AromaticContact CE1-CD2 3.68Å; F565-Y594 HydrophobicContact CE1-CD2 3.68Å; F565-Y594 HydrophobicContact CE1-CE1 4.47Å; F565-Y594 AromaticContact CE1-CE2 3.4Å; F565-Y594 HydrophobicContact CE1-CE2 3.4Å; F565-Y594 HydrophobicContact CE1-CG 4.36Å; F565-Y594 AromaticContact CE1-CZ 3.82Å; F565-Y594 HydrophobicContact CZ-CE2 4.04Å; F565-Y594 AromaticContact CZ-CZ 4Å; F565-I677 HydrophobicContact CE2-CG2 3.83Å; F565-I677 HydrophobicContact CZ-CG2 3.86Å
566W98.2Very high96.9Very high0 Ų019.5 Ų19.50%011%0.111CC..Hα-helixtrans-69.7-29.5174.2-74.8108.7000113A562 A563 V569 W570 I577 Y594 Y603 F606 V608 F625 L627A562-W566 VanDerWaalsContact O-CD1 3.26Å; A562-W566 PolarHBondContact O-N 3.3Å; A563-W566 PolarHBondContact O-N 2.88Å; W566-V569 HydrophobicContact CE3-CB 4.07Å; W566-V569 HydrophobicContact CE3-CG1 4.04Å; W566-V569 HydrophobicContact CE3-CG2 4.16Å; W566-V569 HydrophobicContact CZ3-CG1 4.07Å; W566-V569 HydrophobicContact CZ3-CG2 4.47Å; W566-V569 PolarHBondContact O-N 2.96Å; W566-W570 WeakPolarHBondContact O-CB 3.42Å; W566-W570 PolarHBondContact O-N 3.38Å; W566-I577 HydrophobicContact CH2-CD1 4.2Å; W566-I577 HydrophobicContact CZ3-CD1 4.27Å; W566-Y594 AromaticContact CZ2-CD2 3.95Å; W566-Y594 HydrophobicContact CZ2-CD2 3.95Å; W566-Y594 HydrophobicContact CZ2-CE2 4.33Å; W566-Y594 AromaticContact NE1-CD2 3.94Å; W566-Y594 PolarHBondContact NE1-O 2.84Å; W566-Y603 AromaticContact CD1-CD2 3.17Å; W566-Y603 AromaticContact CD1-CE2 3.77Å; W566-Y603 AromaticContact CD1-CG 3.61Å; W566-Y603 HydrophobicContact CG-CD2 4.01Å; W566-Y603 AromaticContact NE1-CD2 3.28Å; W566-Y603 VanDerWaalsContact NE1-CD2 3.28Å; W566-Y603 AromaticContact NE1-CE2 3.33Å; W566-Y603 VanDerWaalsContact NE1-CE2 3.33Å; W566-F606 HydrophobicContact CB-CB 4.1Å; W566-F606 HydrophobicContact CB-CD2 4Å; W566-F606 HydrophobicContact CB-CG 4.14Å; W566-V608 HydrophobicContact CD2-CG2 3.78Å; W566-V608 HydrophobicContact CE3-CG2 4.07Å; W566-V608 HydrophobicContact CG-CG2 4.3Å; W566-V608 HydrophobicContact CH2-CG1 3.94Å; W566-V608 HydrophobicContact CH2-CG2 4.14Å; W566-V608 HydrophobicContact CZ2-CB 4.47Å; W566-V608 HydrophobicContact CZ2-CG1 3.84Å; W566-V608 HydrophobicContact CZ2-CG2 3.85Å; W566-V608 HydrophobicContact CZ3-CG2 4.24Å; W566-F625 HydrophobicContact CH2-CD2 4.07Å; W566-F625 HydrophobicContact CH2-CE2 4.5Å; W566-F625 HydrophobicContact CH2-CG 4.41Å; W566-L627 HydrophobicContact CE3-CD1 3.84Å; W566-L627 HydrophobicContact CE3-CD2 4.01Å; W566-L627 HydrophobicContact CZ3-CD1 4.22Å; W566-L627 HydrophobicContact CZ3-CD2 4.11Å
567Q98.1Very high97Very high2 Ų219.5 Ų19.51%0.00911%0.111CC..Hα-helixtrans-61.6-45.7167.5-170.6178.4-3.700111.1L524 T525 N529 A563 D564 F565 W570 E571 F606L524-Q567 HydrophobicContact CD1-CB 4.47Å; L524-Q567 HydrophobicContact CD2-CG 4.28Å; T525-Q567 PolarHBondContact O-NE2 2.84Å; N529-Q567 VanDerWaalsContact CA-OE1 3.3Å; N529-Q567 PolarHBondContact ND2-OE1 2.87Å; A563-Q567 PolarHBondContact O-N 2.92Å; D564-Q567 WeakPolarHBondContact O-CB 3.4Å; D564-Q567 PolarHBondContact O-N 3.32Å; F565-Q567 VanDerWaalsContact C-N 3.32Å; F565-Q567 PolarHBondContact O-N 3.43Å; Q567-W570 PolarHBondContact O-N 3.41Å; Q567-E571 HydrophobicContact CG-CG 4.2Å; Q567-E571 WeakPolarHBondContact CG-OE1 3.49Å; Q567-E571 PolarHBondContact NE2-OE1 2.99Å; Q567-E571 WeakPolarHBondContact O-CB 3.34Å; Q567-E571 WeakPolarHBondContact O-CG 3.4Å; Q567-E571 PolarHBondContact O-N 3.48Å; Q567-F606 HydrophobicContact CB-CE2 3.78Å; Q567-F606 HydrophobicContact CB-CZ 4.26Å; Q567-F606 HydrophobicContact CG-CE2 4.28Å; Q567-F606 HydrophobicContact CG-CZ 4.37Å
568M98Very high97Very high0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-58.7-48.7174.5175.7174.570.400112.4V522 L524 I536 A538 V552 A554 D564 F565 W570 E571 Q572 I677V522-M568 HydrophobicContact CB-SD 4.38Å; V522-M568 HydrophobicContact CG1-CG 4.06Å; V522-M568 HydrophobicContact CG1-SD 4.18Å; V522-M568 HydrophobicContact CG2-SD 4.16Å; L524-M568 HydrophobicContact CD2-CB 4.01Å; I536-M568 HydrophobicContact CD1-CB 4.11Å; I536-M568 HydrophobicContact CD1-CE 4.03Å; I536-M568 HydrophobicContact CD1-SD 4.06Å; I536-M568 HydrophobicContact CG2-SD 4.39Å; A538-M568 HydrophobicContact CB-CE 4.22Å; A538-M568 HydrophobicContact CB-SD 3.45Å; A538-M568 WeakPolarHBondContact CB-SD 3.36Å; V552-M568 HydrophobicContact CG1-CE 4.39Å; V552-M568 HydrophobicContact CG1-SD 3.72Å; A554-M568 HydrophobicContact CB-CE 3.93Å; D564-M568 PolarHBondContact O-N 3.24Å; F565-M568 HydrophobicContact CD2-CE 3.52Å; F565-M568 HydrophobicContact CE2-CE 3.69Å; F565-M568 HydrophobicContact CG-CE 4.4Å; F565-M568 WeakPolarHBondContact O-CB 3.39Å; F565-M568 PolarHBondContact O-N 3.09Å; M568-W570 PolarHBondContact O-N 3.26Å; M568-E571 PolarHBondContact O-N 2.77Å; M568-Q572 HydrophobicContact CG-CG 3.95Å; M568-Q572 VanDerWaalsContact O-CB 3.3Å; M568-Q572 WeakPolarHBondContact O-CB 3.32Å; M568-Q572 WeakPolarHBondContact O-CG 3.49Å; M568-Q572 PolarHBondContact O-N 2.86Å; M568-I677 HydrophobicContact CE-CD1 4.23Å; M568-I677 HydrophobicContact CE-CG1 4.48Å; M568-I677 HydrophobicContact CE-CG2 4.16Å; M568-I677 HydrophobicContact CG-CD1 4.38Å
569V97.9Very high97.1Very high0 Ų018.4 Ų18.40%010%0.103CC..Hα-helixtrans-55.4-40.2175.8174.20000110.8F565 W566 S574 I577 L627 V638 I677F565-V569 HydrophobicContact CD1-CG2 4.13Å; F565-V569 HydrophobicContact CE1-CG2 3.83Å; F565-V569 HydrophobicContact CZ-CG2 4.34Å; F565-V569 WeakPolarHBondContact O-CG2 3.49Å; F565-V569 PolarHBondContact O-N 2.92Å; W566-V569 HydrophobicContact CE3-CB 4.07Å; W566-V569 HydrophobicContact CE3-CG1 4.04Å; W566-V569 HydrophobicContact CE3-CG2 4.16Å; W566-V569 HydrophobicContact CZ3-CG1 4.07Å; W566-V569 HydrophobicContact CZ3-CG2 4.47Å; W566-V569 PolarHBondContact O-N 2.96Å; V569-S574 PolarHBondContact O-N 3.05Å; V569-I577 HydrophobicContact CG1-CD1 4.5Å; V569-I577 HydrophobicContact CG2-CD1 3.9Å; V569-I577 HydrophobicContact CG2-CG1 4.4Å; V569-L627 HydrophobicContact CG1-CD2 3.94Å; V569-V638 HydrophobicContact CG1-CG1 4.23Å; V569-V638 HydrophobicContact CG1-CG2 4.12Å; V569-I677 HydrophobicContact CB-CD1 4.16Å; V569-I677 HydrophobicContact CG2-CD1 3.54Å
570W97Very high97.3Very high25 Ų2515.2 Ų15.210%0.0958%0.077CC..Hα-helixtrans-72-46.5178.6-170-94.1000113.5W566 Q567 M568 F606 L627 N629 D634 R636W566-W570 WeakPolarHBondContact O-CB 3.42Å; W566-W570 PolarHBondContact O-N 3.38Å; Q567-W570 PolarHBondContact O-N 3.41Å; M568-W570 PolarHBondContact O-N 3.26Å; W570-F606 HydrophobicContact CB-CD1 4.25Å; W570-F606 HydrophobicContact CB-CE1 3.51Å; W570-F606 HydrophobicContact CB-CZ 3.9Å; W570-F606 AromaticContact CD1-CE1 3.99Å; W570-F606 HydrophobicContact CD2-CD1 4.44Å; W570-F606 AromaticContact CD2-CE1 3.89Å; W570-F606 HydrophobicContact CD2-CE1 3.89Å; W570-F606 HydrophobicContact CE3-CD1 4.43Å; W570-F606 HydrophobicContact CE3-CE1 4.33Å; W570-F606 HydrophobicContact CG-CD1 4.35Å; W570-F606 AromaticContact CG-CE1 3.48Å; W570-F606 HydrophobicContact CG-CE1 3.48Å; W570-F606 VanDerWaalsContact CG-CE1 3.48Å; W570-F606 HydrophobicContact CG-CZ 4.13Å; W570-L627 HydrophobicContact CE3-CD2 3.81Å; W570-L627 HydrophobicContact CE3-CG 3.97Å; W570-L627 HydrophobicContact CZ3-CD2 4.33Å; W570-L627 HydrophobicContact CZ3-CG 4.14Å; W570-N629 HydrophobicContact CD2-CB 4.19Å; W570-N629 HydrophobicContact CE3-CB 4.28Å; W570-N629 HydrophobicContact CH2-CB 3.7Å; W570-N629 HydrophobicContact CZ2-CB 3.58Å; W570-N629 HydrophobicContact CZ3-CB 4.04Å; W570-N629 PolarHBondContact NE1-ND2 3.27Å; W570-D634 HydrophobicContact CH2-CB 3.56Å; W570-D634 HydrophobicContact CZ2-CB 3.62Å; W570-R636 HydrophobicContact CH2-CG 3.98Å; W570-R636 HydrophobicContact CZ3-CB 4.33Å; W570-R636 HydrophobicContact CZ3-CG 3.73Å; W570-R636 VanDerWaalsContact O-CZ 3.27Å; W570-R636 PolarHBondContact O-NH1 2.96Å; W570-R636 PolarHBondContact O-NH2 2.61Å
571E96.5Very high97.4Very high55 Ų5510.3 Ų10.326%0.2576%0.058SC..Hα-helixtrans-75.5-36.5-174.3-69.8-179.1170.500112.4L524 T525 Q567 M568 G573L524-E571 WeakPolarHBondContact CA-OE2 3.28Å; T525-E571 WeakPolarHBondContact CB-OE1 3.49Å; T525-E571 PolarHBondContact N-OE1 2.85Å; T525-E571 PolarHBondContact N-OE2 2.85Å; T525-E571 PolarHBondContact OG1-OE1 2.81Å; T525-E571 PolarHBondContact OG1-OE2 2.91Å; Q567-E571 HydrophobicContact CG-CG 4.2Å; Q567-E571 WeakPolarHBondContact CG-OE1 3.49Å; Q567-E571 PolarHBondContact NE2-OE1 2.99Å; Q567-E571 WeakPolarHBondContact O-CB 3.34Å; Q567-E571 WeakPolarHBondContact O-CG 3.4Å; Q567-E571 PolarHBondContact O-N 3.48Å; M568-E571 PolarHBondContact O-N 2.77Å; E571-G573 PolarHBondContact O-N 3.06Å
572Q95.4Very high97.3Very high54 Ų5415 Ų1525%0.2528%0.078SC..THydrogen-bonded Turntrans-76.6-4.8177.2-61.8-59.7-57.300113.9V522 M568 S574 P675V522-Q572 HydrophobicContact CG1-CG 4.39Å; M568-Q572 HydrophobicContact CG-CG 3.95Å; M568-Q572 VanDerWaalsContact O-CB 3.3Å; M568-Q572 WeakPolarHBondContact O-CB 3.32Å; M568-Q572 WeakPolarHBondContact O-CG 3.49Å; M568-Q572 PolarHBondContact O-N 2.86Å; Q572-S574 PolarHBondContact O-N 2.94Å; Q572-P675 HydrophobicContact CB-CG 4.2Å; Q572-P675 WeakPolarHBondContact O-CD 3.49Å
573G94.8Very high97.2Very high27 Ų2717 Ų1728%0.2789%0.088SC..THydrogen-bonded Turntrans737.1-178.300000114.9E571 L575 S674E571-G573 PolarHBondContact O-N 3.06Å; G573-L575 PolarHBondContact O-N 2.79Å; G573-S674 PolarHBondContact O-OG 3.26Å
574S96.6Very high97.1Very high0 Ų021.5 Ų21.50%011%0.11CC..  trans-65.9121-171.4-68.90000113.5V569 Q572 P675V569-S574 PolarHBondContact O-N 3.05Å; Q572-S574 PolarHBondContact O-N 2.94Å; S574-P675 WeakPolarHBondContact CB-O 3.48Å; S574-P675 PolarHBondContact OG-O 3.01Å
575L96.7Very high96.8Very high31 Ų3122.3 Ų22.316%0.16211%0.113CC..  trans-97.1-4.4173.6-52.8-174.2000113.4G573 R636 V638 T639 Y669 S674G573-L575 PolarHBondContact O-N 2.79Å; L575-R636 HydrophobicContact CD2-CB 4.42Å; L575-V638 WeakPolarHBondContact O-CA 3.47Å; L575-T639 PolarHBondContact O-N 3.08Å; L575-Y669 HydrophobicContact CD1-CD1 3.91Å; L575-Y669 HydrophobicContact CD1-CE1 3.78Å; L575-S674 PolarHBondContact N-OG 3.24Å
576V97.9Very high96.4Very high0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-133.6127.6-174.1-170.20000110.2T639 F641 V665 S668 R670 I676 I677V576-T639 WeakPolarHBondContact CA-O 3.3Å; V576-F641 HydrophobicContact CG1-CD2 3.87Å; V576-F641 HydrophobicContact CG1-CE2 3.95Å; V576-V665 HydrophobicContact CG1-CG1 4.35Å; V576-S668 VanDerWaalsContact CG2-OG 3.31Å; V576-S668 WeakPolarHBondContact CG2-OG 3.43Å; V576-R670 HydrophobicContact CG2-CB 4.04Å; V576-I676 HydrophobicContact CB-CG1 4.4Å; V576-I676 HydrophobicContact CB-CG2 4.18Å; V576-I676 HydrophobicContact CG1-CG2 3.94Å; V576-I677 PolarHBondContact O-N 3.05Å
577I98.5Very high95.9Very high0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-118.3138.3173.6-57.8168.2000108.2F565 W566 V569 Y594 V638 T639 Q640 F641 I677F565-I577 HydrophobicContact CE1-CD1 4.1Å; F565-I577 HydrophobicContact CZ-CD1 4.41Å; F565-I577 HydrophobicContact CZ-CG2 4.17Å; W566-I577 HydrophobicContact CH2-CD1 4.2Å; W566-I577 HydrophobicContact CZ3-CD1 4.27Å; V569-I577 HydrophobicContact CG1-CD1 4.5Å; V569-I577 HydrophobicContact CG2-CD1 3.9Å; V569-I577 HydrophobicContact CG2-CG1 4.4Å; I577-Y594 WeakPolarHBondContact CG2-OH 3.49Å; I577-V638 HydrophobicContact CD1-CG1 3.67Å; I577-V638 HydrophobicContact CG1-CG1 3.93Å; I577-T639 PolarHBondContact N-O 3.13Å; I577-Q640 HydrophobicContact CB-CB 4.35Å; I577-Q640 HydrophobicContact CB-CG 4.41Å; I577-Q640 HydrophobicContact CG2-CG 4.33Å; I577-Q640 CarbonylContact O-C 3.05Å; I577-Q640 WeakPolarHBondContact O-CA 3.07Å; I577-F641 PolarHBondContact O-N 3.2Å; I577-I677 CarbonylContact C-O 3.57Å; I577-I677 WeakPolarHBondContact CA-O 3.33Å; I577-I677 HydrophobicContact CG1-CB 4.43Å; I577-I677 HydrophobicContact CG2-CG2 4.43Å
578V98.6Very high95.6Very high0 Ų041.5 Ų41.50%021%0.212CC..EExtended strand (participates in β ladder)trans-121110.6174.3179.70000108L580 F641 F661 V665 I676 I677 I678 H679 Y690V578-L580 HydrophobicContact CG1-CD2 3.68Å; V578-L580 HydrophobicContact CG1-CG 4.01Å; V578-F641 CarbonylContact C-O 3.56Å; V578-F641 WeakPolarHBondContact CA-O 3.14Å; V578-F661 HydrophobicContact CG1-CE1 3.76Å; V578-F661 HydrophobicContact CG1-CZ 3.9Å; V578-V665 HydrophobicContact CG2-CG1 3.9Å; V578-V665 HydrophobicContact CG2-CG2 4.09Å; V578-I676 HydrophobicContact CG2-CG2 3.68Å; V578-I677 PolarHBondContact N-O 2.99Å; V578-I678 HydrophobicContact CB-CB 4.38Å; V578-I678 HydrophobicContact CB-CG1 4.04Å; V578-I678 HydrophobicContact CB-CG2 4.22Å; V578-I678 HydrophobicContact CG1-CG2 4.26Å; V578-I678 HydrophobicContact CG2-CG1 4.27Å; V578-I678 WeakPolarHBondContact O-CA 3.38Å; V578-H679 PolarHBondContact O-N 3.23Å; V578-Y690 HydrophobicContact CG1-CE1 4.25Å
579N98.3Very high95.4Very high0 Ų045.8 Ų45.80%023%0.232CC..EExtended strand (participates in β ladder)trans-96.2127.3170.1-178.313.8000109.5T581 F641 H642 Y643 H679N579-T581 PolarHBondContact ND2-O 2.92Å; N579-T581 WeakPolarHBondContact OD1-CG2 3.35Å; N579-T581 PolarHBondContact OD1-N 2.8Å; N579-T581 PolarHBondContact OD1-O 2.89Å; N579-T581 VanDerWaalsContact OD1-O 3.09Å; N579-F641 PolarHBondContact N-O 2.78Å; N579-H642 HydrophobicContact CB-CB 4.43Å; N579-H642 PolarHBondContact ND2-CD2 3.41Å; N579-H642 PolarHBondContact ND2-NE2 3.48Å; N579-H642 WeakPolarHBondContact O-CA 2.82Å; N579-Y643 PolarHBondContact O-N 3.31Å; N579-H679 VanDerWaalsContact CB-NE2 3.33Å; N579-H679 WeakPolarHBondContact CB-NE2 3.41Å; N579-H679 PolarHBondContact OD1-CE1 3.48Å; N579-H679 PolarHBondContact OD1-NE2 3.1Å
580L98.2Very high95.3Very high0 Ų046.3 Ų46.30%024%0.235CC..  trans-113.110.4179.9-56.1172.7000113.4V578 W646 F661 I678 H679 C680 R686 Y690V578-L580 HydrophobicContact CG1-CD2 3.68Å; V578-L580 HydrophobicContact CG1-CG 4.01Å; L580-W646 HydrophobicContact CB-CE3 4.44Å; L580-W646 HydrophobicContact CD1-CZ3 4.2Å; L580-W646 HydrophobicContact CD2-CE3 4.23Å; L580-W646 HydrophobicContact CD2-CZ3 4.26Å; L580-F661 HydrophobicContact CD2-CE1 4.04Å; L580-I678 HydrophobicContact CD1-CG2 3.91Å; L580-H679 PolarHBondContact N-O 3.31Å; L580-C680 HydrophobicContact CB-CB 4.25Å; L580-R686 HydrophobicContact CB-CB 4.17Å; L580-R686 HydrophobicContact CD1-CB 4.35Å; L580-R686 WeakPolarHBondContact CD1-O 3.48Å; L580-R686 PolarHBondContact O-NH1 2.83Å; L580-Y690 HydrophobicContact CD1-CG 4.03Å; L580-Y690 HydrophobicContact CD2-CD2 4.2Å; L580-Y690 HydrophobicContact CD2-CG 4.41Å
581T96.5Very high95.3Very high0 Ų045.1 Ų45.10%023%0.23CC..SBendtrans-129.3148178-171.90000112N579 E585 K590 C591 H642 C680 R686N579-T581 PolarHBondContact ND2-O 2.92Å; N579-T581 WeakPolarHBondContact OD1-CG2 3.35Å; N579-T581 PolarHBondContact OD1-N 2.8Å; N579-T581 PolarHBondContact OD1-O 2.89Å; N579-T581 VanDerWaalsContact OD1-O 3.09Å; T581-E585 PolarHBondContact OG1-OE1 2.72Å; T581-K590 WeakPolarHBondContact OG1-CB 3.37Å; T581-C591 HydrophobicContact CG2-CB 3.74Å; T581-H642 PolarHBondContact O-NE2 2.9Å; T581-C680 VanDerWaalsContact CG2-C 3.41Å; T581-C680 VanDerWaalsContact CG2-O 3.3Å; T581-C680 WeakPolarHBondContact CG2-O 3.35Å; T581-R686 PolarHBondContact OG1-NH1 2.99Å; T581-R686 PolarHBondContact OG1-NH2 2.85Å
582K95.8Very high95.3Very high101 Ų10145.2 Ų45.244%0.43923%0.23SC..  trans-69.1164160.5-56178.7-171.4177.10109.4I584 E585 L644K582-I584 VanDerWaalsContact C-N 3.35Å; K582-E585 HydrophobicContact CB-CG 3.81Å; K582-E585 HydrophobicContact CD-CG 4.46Å; K582-E585 HydrophobicContact CG-CG 4.39Å; K582-E585 PolarHBondContact N-OE1 3.35Å; K582-L644 WeakPolarHBondContact CE-O 3.47Å; K582-L644 HydrophobicContact CG-CD2 4.41Å
583L95.8Very high95.3Very high46 Ų4644.8 Ų44.824%0.24123%0.228CC..SBendtrans-63.1-42.4173.8-62171.5000111.7E589 K590 C591 Q593 W595L583-E589 CarbonylContact O-C 3.56Å; L583-E589 WeakPolarHBondContact O-CA 3.3Å; L583-K590 PolarHBondContact O-N 3.11Å; L583-C591 WeakPolarHBondContact CA-O 3.39Å; L583-C591 HydrophobicContact CD2-CB 4.47Å; L583-C591 VanDerWaalsContact CD2-O 3.23Å; L583-C591 WeakPolarHBondContact CD2-O 3.5Å; L583-C591 PolarHBondContact O-N 2.99Å; L583-Q593 HydrophobicContact CD1-CB 4Å; L583-Q593 HydrophobicContact CD1-CG 4.41Å; L583-Q593 VanDerWaalsContact CD1-OE1 3.31Å; L583-Q593 HydrophobicContact CD2-CB 3.84Å; L583-W595 HydrophobicContact CD1-CZ2 4.34Å; L583-W595 HydrophobicContact CD2-CH2 3.55Å; L583-W595 HydrophobicContact CD2-CZ2 4.03Å; L583-W595 HydrophobicContact CD2-CZ3 4.23Å; L583-W595 HydrophobicContact CG-CH2 4.21Å; L583-W595 HydrophobicContact CG-CZ2 4.39Å
584I94.8Very high95.5Very high107 Ų10743.5 Ų43.555%0.54922%0.215SC..EExtended strand (participates in β ladder)trans-128.9130.3-179.7-60.4173.3000109K582 E588K582-I584 VanDerWaalsContact C-N 3.35Å; I584-E588 VanDerWaalsContact CA-O 3.27Å; I584-E588 WeakPolarHBondContact CA-O 3.05Å
585E91.9Very high95.5Very high18 Ų1843.7 Ų43.78%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-138.9138.7175.5-56.8-179.316800108T581 K582 N587 E588 K590 R686T581-E585 PolarHBondContact OG1-OE1 2.72Å; K582-E585 HydrophobicContact CB-CG 3.81Å; K582-E585 HydrophobicContact CD-CG 4.46Å; K582-E585 HydrophobicContact CG-CG 4.39Å; K582-E585 PolarHBondContact N-OE1 3.35Å; E585-N587 PolarHBondContact O-N 3.38Å; E585-N587 VanDerWaalsContact O-N 3.1Å; E585-E588 PolarHBondContact N-O 3.38Å; E585-E588 PolarHBondContact O-N 3.38Å; E585-K590 HydrophobicContact CB-CG 3.75Å; E585-K590 HydrophobicContact CG-CG 3.99Å; E585-R686 VanDerWaalsContact CD-NH1 3.29Å; E585-R686 IonicContact OE1-CZ 3.1Å; E585-R686 IonicContact OE1-NH1 3.19Å; E585-R686 PolarHBondContact OE1-NH1 3.26Å; E585-R686 IonicContact OE1-NH2 2.81Å; E585-R686 IonicContact OE2-CZ 3.41Å; E585-R686 VanDerWaalsContact OE2-CZ 3.23Å; E585-R686 IonicContact OE2-NH1 2.86Å; E585-R686 PolarHBondContact OE2-NH1 2.61Å; E585-R686 IonicContact OE2-NH2 3.84Å; E585-R686 PolarHBondContact OE2-NH2 2.82Å
586N88.5Confident95.5Very high128 Ų12842.4 Ų42.468%0.68421%0.209SC*.THydrogen-bonded Turntrans53.129.7-177.3-57.6-24.4000115.1E588N586-E588 VanDerWaalsContact C-N 3.27Å; N586-E588 PolarHBondContact O-N 2.88Å
587N87.8Confident95Very high164 Ų16447.7 Ų47.788%0.87724%0.237SC*.THydrogen-bonded Turntrans68.29.7-172.3-55.3-37.4000116E585E585-N587 PolarHBondContact O-N 3.38Å; E585-N587 VanDerWaalsContact O-N 3.1Å
588E91.8Very high94.2Very high115 Ų11554 Ų5454%0.53727%0.271SS..EExtended strand (participates in β ladder)trans-105144.2174.5-61.4-176162.700111.5I584 E585 N586 K590I584-E588 VanDerWaalsContact CA-O 3.27Å; I584-E588 WeakPolarHBondContact CA-O 3.05Å; E585-E588 PolarHBondContact N-O 3.38Å; E585-E588 PolarHBondContact O-N 3.38Å; N586-E588 VanDerWaalsContact C-N 3.27Å; N586-E588 PolarHBondContact O-N 2.88Å; E588-K590 HydrophobicContact CB-CD 4.29Å; E588-K590 PolarHBondContact O-N 2.96Å; E588-K590 IonicContact OE2-NZ 3.2Å; E588-K590 PolarHBondContact OE2-NZ 3.3Å
589E94.2Very high93.4Very high91 Ų9162.3 Ų62.343%0.42530%0.302SS..EExtended strand (participates in β ladder)trans-72.7114.5170.8-167.9-153-12400109.6R511 L583R511-E589 IonicContact CZ-OE2 2.61Å; R511-E589 VanDerWaalsContact CZ-OE2 3.26Å; R511-E589 PolarHBondContact NH1-O 2.75Å; R511-E589 IonicContact NH1-OE2 3.06Å; R511-E589 PolarHBondContact NH1-OE2 3.09Å; R511-E589 IonicContact NH2-OE2 3.76Å; R511-E589 PolarHBondContact NH2-OE2 2.77Å; L583-E589 CarbonylContact O-C 3.56Å; L583-E589 WeakPolarHBondContact O-CA 3.3Å
590K95.3Very high93.2Very high10 Ų1064.6 Ų64.64%0.04332%0.318CS..SBendtrans-96.1-24.9176.4-56-48.6-171.5166.30112.5R511 T581 L583 E585 E588 E648R511-K590 VanDerWaalsContact CD-O 3.3Å; R511-K590 WeakPolarHBondContact CD-O 3.5Å; R511-K590 PolarHBondContact NE-O 3.31Å; T581-K590 WeakPolarHBondContact OG1-CB 3.37Å; L583-K590 PolarHBondContact O-N 3.11Å; E585-K590 HydrophobicContact CB-CG 3.75Å; E585-K590 HydrophobicContact CG-CG 3.99Å; E588-K590 HydrophobicContact CB-CD 4.29Å; E588-K590 PolarHBondContact O-N 2.96Å; E588-K590 IonicContact OE2-NZ 3.2Å; E588-K590 PolarHBondContact OE2-NZ 3.3Å; K590-E648 WeakPolarHBondContact CD-OE1 3.04Å; K590-E648 VanDerWaalsContact CE-CD 3.43Å; K590-E648 WeakPolarHBondContact CE-OE1 3.36Å; K590-E648 WeakPolarHBondContact CE-OE2 3.33Å; K590-E648 IonicContact NZ-OE1 3.14Å; K590-E648 PolarHBondContact NZ-OE1 2.92Å; K590-E648 IonicContact NZ-OE2 2.67Å; K590-E648 PolarHBondContact NZ-OE2 3.44Å
591C97Very high93.1Very high1 Ų168.4 Ų68.41%0.00734%0.336CS..SBendtrans-152.6134173.8-174.70000109.4T581 L583T581-C591 HydrophobicContact CG2-CB 3.74Å; L583-C591 WeakPolarHBondContact CA-O 3.39Å; L583-C591 HydrophobicContact CD2-CB 4.47Å; L583-C591 VanDerWaalsContact CD2-O 3.23Å; L583-C591 WeakPolarHBondContact CD2-O 3.5Å; L583-C591 PolarHBondContact O-N 2.99Å
592F96.7Very high93.1Very high56 Ų5672 Ų7225%0.24636%0.358CS..  trans-69.6150.2167.2176.5-103000109.7P557 S558 A559 A562 Y594P557-F592 WeakPolarHBondContact O-CB 3.29Å; P557-F592 PolarHBondContact O-N 2.94Å; S558-F592 VanDerWaalsContact C-CB 3.49Å; A559-F592 HydrophobicContact CB-CD1 4.44Å; A559-F592 HydrophobicContact CB-CD2 3.71Å; A559-F592 HydrophobicContact CB-CE2 3.82Å; A559-F592 HydrophobicContact CB-CG 4.05Å; A559-F592 HydrophobicContact CB-CZ 4.24Å; A562-F592 HydrophobicContact CB-CD1 4.06Å; A562-F592 HydrophobicContact CB-CE1 4.21Å; F592-Y594 PolarHBondContact O-N 3.08Å
593Q96.9Very high93.1Very high46 Ų4667.9 Ų67.922%0.21534%0.339CS..  trans-77.586.2176.2-177.5163.5-29.900110.8L583 W595 D597L583-Q593 HydrophobicContact CD1-CB 4Å; L583-Q593 HydrophobicContact CD1-CG 4.41Å; L583-Q593 VanDerWaalsContact CD1-OE1 3.31Å; L583-Q593 HydrophobicContact CD2-CB 3.84Å; Q593-W595 HydrophobicContact CG-CD2 3.94Å; Q593-W595 HydrophobicContact CG-CG 4.19Å; Q593-W595 HydrophobicContact CG-CZ2 4.04Å; Q593-W595 VanDerWaalsContact CG-O 3.28Å; Q593-W595 WeakPolarHBondContact CG-O 3.48Å; Q593-W595 PolarHBondContact NE2-O 3.07Å; Q593-W595 PolarHBondContact O-N 3.25Å; Q593-W595 VanDerWaalsContact O-N 3.08Å; Q593-D597 PolarHBondContact NE2-OD1 3.43Å
594Y97.6Very high93.1Very high0 Ų069.5 Ų69.50%035%0.346CS..  trans-75.818177.565.1-95.5000114.1P557 F565 W566 I577 F592 Y603 Q640 H679P557-Y594 HydrophobicContact CB-CD1 4.07Å; P557-Y594 HydrophobicContact CB-CG 4.47Å; P557-Y594 HydrophobicContact CG-CD1 3.66Å; P557-Y594 HydrophobicContact CG-CE1 4.07Å; P557-Y594 HydrophobicContact CG-CG 4.17Å; F565-Y594 AromaticContact CD1-CD2 3.89Å; F565-Y594 HydrophobicContact CD1-CD2 3.89Å; F565-Y594 HydrophobicContact CD1-CE2 4.1Å; F565-Y594 HydrophobicContact CD1-CG 4.31Å; F565-Y594 AromaticContact CE1-CD2 3.68Å; F565-Y594 HydrophobicContact CE1-CD2 3.68Å; F565-Y594 HydrophobicContact CE1-CE1 4.47Å; F565-Y594 AromaticContact CE1-CE2 3.4Å; F565-Y594 HydrophobicContact CE1-CE2 3.4Å; F565-Y594 HydrophobicContact CE1-CG 4.36Å; F565-Y594 AromaticContact CE1-CZ 3.82Å; F565-Y594 HydrophobicContact CZ-CE2 4.04Å; F565-Y594 AromaticContact CZ-CZ 4Å; W566-Y594 AromaticContact CZ2-CD2 3.95Å; W566-Y594 HydrophobicContact CZ2-CD2 3.95Å; W566-Y594 HydrophobicContact CZ2-CE2 4.33Å; W566-Y594 AromaticContact NE1-CD2 3.94Å; W566-Y594 PolarHBondContact NE1-O 2.84Å; I577-Y594 WeakPolarHBondContact CG2-OH 3.49Å; F592-Y594 PolarHBondContact O-N 3.08Å; Y594-Y603 VanDerWaalsContact C-OH 3.23Å; Y594-Y603 WeakPolarHBondContact O-CE2 3.38Å; Y594-Y603 PolarHBondContact O-OH 3.11Å; Y594-Q640 PolarHBondContact OH-NE2 3.27Å; Y594-H679 AromaticContact CE1-CE1 3.73Å; Y594-H679 AromaticContact CE1-NE2 3.44Å; Y594-H679 WeakPolarHBondContact CE1-NE2 3.3Å; Y594-H679 AromaticContact CZ-NE2 3.49Å; Y594-H679 PolarHBondContact OH-NE2 2.98Å
595W97.8Very high93.2Very high4 Ų465.5 Ų65.52%0.01533%0.327CS..SBendtrans-139146.2-179.46678.6000112.5L583 Q593 Y603 F625 H642L583-W595 HydrophobicContact CD1-CZ2 4.34Å; L583-W595 HydrophobicContact CD2-CH2 3.55Å; L583-W595 HydrophobicContact CD2-CZ2 4.03Å; L583-W595 HydrophobicContact CD2-CZ3 4.23Å; L583-W595 HydrophobicContact CG-CH2 4.21Å; L583-W595 HydrophobicContact CG-CZ2 4.39Å; Q593-W595 HydrophobicContact CG-CD2 3.94Å; Q593-W595 HydrophobicContact CG-CG 4.19Å; Q593-W595 HydrophobicContact CG-CZ2 4.04Å; Q593-W595 VanDerWaalsContact CG-O 3.28Å; Q593-W595 WeakPolarHBondContact CG-O 3.48Å; Q593-W595 PolarHBondContact NE2-O 3.07Å; Q593-W595 PolarHBondContact O-N 3.25Å; Q593-W595 VanDerWaalsContact O-N 3.08Å; W595-Y603 VanDerWaalsContact C-OH 3.29Å; W595-Y603 VanDerWaalsContact CA-OH 3.23Å; W595-Y603 WeakPolarHBondContact CA-OH 3.35Å; W595-Y603 PolarHBondContact N-OH 3.05Å; W595-F625 HydrophobicContact CB-CE1 3.81Å; W595-F625 HydrophobicContact CB-CE2 4.32Å; W595-F625 HydrophobicContact CB-CZ 3.45Å; W595-F625 VanDerWaalsContact CB-CZ 3.45Å; W595-F625 HydrophobicContact CG-CE1 4.46Å; W595-F625 AromaticContact CG-CZ 3.9Å; W595-F625 HydrophobicContact CG-CZ 3.9Å; W595-H642 AromaticContact CH2-CE1 3.71Å; W595-H642 AromaticContact CZ2-CE1 3.92Å
596P95.3Very high93.4Very high4 Ų465 Ų653%0.02633%0.325CS..  trans-68.4135.9178.628-36.4000112.3N598 E601 V608 L610P596-N598 VanDerWaalsContact C-N 3.33Å; P596-E601 HydrophobicContact CB-CB 3.98Å; P596-V608 HydrophobicContact CG-CG1 4.26Å; P596-L610 HydrophobicContact CG-CB 4.31Å
597D87.1Confident93.9Very high111 Ų11161 Ų6159%0.59430%0.302SS*.SBendtrans-65.8-36.4165.8-81-28.7000112.2Q593Q593-D597 PolarHBondContact NE2-OD1 3.43Å
598N83.1Confident94.4Very high133 Ų13353.2 Ų53.271%0.71126%0.26SS*.SBendtrans-147.9136.6-170.6-79.1-87.6000111.1P596 S600P596-N598 VanDerWaalsContact C-N 3.33Å; N598-S600 PolarHBondContact O-N 3.07Å
599R81.3Confident94.6Very high174 Ų17449.8 Ų49.866%0.65724%0.244SC*.SBendtrans59.6-96.8180-60.5-179.3178.1-90.4-16.6112.8E176 H609 L610E176-R599 IonicContact OE1-CZ 2.72Å; E176-R599 IonicContact OE1-NH1 2.82Å; E176-R599 IonicContact OE1-NH2 2.81Å; E176-R599 PolarHBondContact OE1-NH2 3.37Å; R599-H609 VanDerWaalsContact O-CA 3.28Å; R599-H609 WeakPolarHBondContact O-CA 3.43Å; R599-L610 PolarHBondContact O-N 3.08Å; R599-L610 VanDerWaalsContact O-N 3.09Å
600S93.6Very high94.8Very high47 Ų4747.3 Ų47.333%0.32923%0.234SC..EExtended strand (participates in β ladder)trans-153.4158.7-17945.20000113.6N598 E607 V608 H609N598-S600 PolarHBondContact O-N 3.07Å; S600-E607 PolarHBondContact OG-OE1 3.23Å; S600-V608 CarbonylContact C-O 3.48Å; S600-V608 WeakPolarHBondContact CA-O 3.49Å; S600-V608 WeakPolarHBondContact CB-O 3.38Å; S600-H609 WeakPolarHBondContact CB-ND1 3.44Å; S600-H609 PolarHBondContact OG-ND1 3.08Å
601E96.8Very high94.8Very high81 Ų8150.7 Ų50.738%0.37926%0.255SS..EExtended strand (participates in β ladder)trans-133156.7169-173.2168.8-170.700109.4P596 Y603 V608P596-E601 HydrophobicContact CB-CB 3.98Å; E601-Y603 HydrophobicContact CB-CE1 4.36Å; E601-Y603 HydrophobicContact CB-CE2 4.21Å; E601-Y603 VanDerWaalsContact CD-OH 3.25Å; E601-Y603 HydrophobicContact CG-CD1 4.38Å; E601-Y603 HydrophobicContact CG-CE1 3.67Å; E601-Y603 HydrophobicContact CG-CE2 4.35Å; E601-Y603 PolarHBondContact OE2-OH 3.45Å; E601-V608 PolarHBondContact N-O 2.87Å; E601-V608 PolarHBondContact O-N 3.41Å
602V96.5Very high94.6Very high75 Ų7553.3 Ų53.346%0.45527%0.273SS..EExtended strand (participates in β ladder)trans-119.4113-177.3-176.50000110.4H604 F606 E607 L630V602-H604 WeakPolarHBondContact CG1-O 3.35Å; V602-F606 CarbonylContact C-O 3.57Å; V602-F606 WeakPolarHBondContact CA-O 3.28Å; V602-E607 HydrophobicContact CG2-CB 4.12Å; V602-E607 HydrophobicContact CG2-CG 4.03Å; V602-L630 HydrophobicContact CG1-CD1 3.67Å
603Y96.5Very high94.5Very high14 Ų1455 Ų556%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-103.5100.6176.1-47.1-74.1000108.6A562 W566 Y594 W595 E601 S605 F606 V608A562-Y603 HydrophobicContact CB-CD1 4.44Å; W566-Y603 AromaticContact CD1-CD2 3.17Å; W566-Y603 AromaticContact CD1-CE2 3.77Å; W566-Y603 AromaticContact CD1-CG 3.61Å; W566-Y603 HydrophobicContact CG-CD2 4.01Å; W566-Y603 AromaticContact NE1-CD2 3.28Å; W566-Y603 VanDerWaalsContact NE1-CD2 3.28Å; W566-Y603 AromaticContact NE1-CE2 3.33Å; W566-Y603 VanDerWaalsContact NE1-CE2 3.33Å; Y594-Y603 VanDerWaalsContact C-OH 3.23Å; Y594-Y603 WeakPolarHBondContact O-CE2 3.38Å; Y594-Y603 PolarHBondContact O-OH 3.11Å; W595-Y603 VanDerWaalsContact C-OH 3.29Å; W595-Y603 VanDerWaalsContact CA-OH 3.23Å; W595-Y603 WeakPolarHBondContact CA-OH 3.35Å; W595-Y603 PolarHBondContact N-OH 3.05Å; E601-Y603 HydrophobicContact CB-CE1 4.36Å; E601-Y603 HydrophobicContact CB-CE2 4.21Å; E601-Y603 VanDerWaalsContact CD-OH 3.25Å; E601-Y603 HydrophobicContact CG-CD1 4.38Å; E601-Y603 HydrophobicContact CG-CE1 3.67Å; E601-Y603 HydrophobicContact CG-CE2 4.35Å; E601-Y603 PolarHBondContact OE2-OH 3.45Å; Y603-S605 PolarHBondContact O-N 3.02Å; Y603-F606 PolarHBondContact N-O 3.06Å; Y603-F606 WeakPolarHBondContact O-CB 3.35Å; Y603-F606 WeakPolarHBondContact O-CD2 3.34Å; Y603-F606 PolarHBondContact O-N 3.36Å; Y603-V608 HydrophobicContact CD2-CB 4.4Å; Y603-V608 HydrophobicContact CD2-CG2 3.72Å; Y603-V608 HydrophobicContact CE2-CB 4.04Å; Y603-V608 HydrophobicContact CE2-CG2 3.78Å
604H95.8Very high94.4Very high80 Ų8057.3 Ų57.337%0.3729%0.293SS..THydrogen-bonded Turntrans51.5-106.8-171.1-169.957.4000113.3Q530 A563 V602Q530-H604 HydrophobicContact CB-CB 4.26Å; A563-H604 HydrophobicContact CB-CB 3.98Å; V602-H604 WeakPolarHBondContact CG1-O 3.35Å
605S95.2Very high94.3Very high23 Ų2361.6 Ų61.616%0.16131%0.314CS..THydrogen-bonded Turntrans-936179.4-66.70000113.7Y603 L630 T631Y603-S605 PolarHBondContact O-N 3.02Å; S605-L630 WeakPolarHBondContact O-CB 3.39Å; S605-L630 PolarHBondContact O-N 2.67Å; S605-T631 PolarHBondContact OG-OG1 2.78Å
606F97.6Very high93.9Very high8 Ų865 Ų654%0.03533%0.328CS..EExtended strand (participates in β ladder)trans-116.2112.3-173.3-56.5-70.3000111W566 Q567 W570 V602 Y603 L627 K628 N629W566-F606 HydrophobicContact CB-CB 4.1Å; W566-F606 HydrophobicContact CB-CD2 4Å; W566-F606 HydrophobicContact CB-CG 4.14Å; Q567-F606 HydrophobicContact CB-CE2 3.78Å; Q567-F606 HydrophobicContact CB-CZ 4.26Å; Q567-F606 HydrophobicContact CG-CE2 4.28Å; Q567-F606 HydrophobicContact CG-CZ 4.37Å; W570-F606 HydrophobicContact CB-CD1 4.25Å; W570-F606 HydrophobicContact CB-CE1 3.51Å; W570-F606 HydrophobicContact CB-CZ 3.9Å; W570-F606 AromaticContact CD1-CE1 3.99Å; W570-F606 HydrophobicContact CD2-CD1 4.44Å; W570-F606 AromaticContact CD2-CE1 3.89Å; W570-F606 HydrophobicContact CD2-CE1 3.89Å; W570-F606 HydrophobicContact CE3-CD1 4.43Å; W570-F606 HydrophobicContact CE3-CE1 4.33Å; W570-F606 HydrophobicContact CG-CD1 4.35Å; W570-F606 AromaticContact CG-CE1 3.48Å; W570-F606 HydrophobicContact CG-CE1 3.48Å; W570-F606 VanDerWaalsContact CG-CE1 3.48Å; W570-F606 HydrophobicContact CG-CZ 4.13Å; V602-F606 CarbonylContact C-O 3.57Å; V602-F606 WeakPolarHBondContact CA-O 3.28Å; Y603-F606 PolarHBondContact N-O 3.06Å; Y603-F606 WeakPolarHBondContact O-CB 3.35Å; Y603-F606 WeakPolarHBondContact O-CD2 3.34Å; Y603-F606 PolarHBondContact O-N 3.36Å; F606-L627 HydrophobicContact CB-CD1 3.97Å; F606-L627 HydrophobicContact CD1-CD1 4.33Å; F606-K628 WeakPolarHBondContact CA-O 3.38Å; F606-N629 HydrophobicContact CE1-CB 4.4Å
607E97.6Very high93.7Very high44 Ų4467 Ų6721%0.20634%0.341CS..EExtended strand (participates in β ladder)trans-89.7120.8169.3-176.4176.5-162.100108.9S600 V602 H609 K628 L630S600-E607 PolarHBondContact OG-OE1 3.23Å; V602-E607 HydrophobicContact CG2-CB 4.12Å; V602-E607 HydrophobicContact CG2-CG 4.03Å; E607-H609 WeakPolarHBondContact CG-NE2 3.36Å; E607-H609 IonicContact OE1-CE1 2.76Å; E607-H609 PolarHBondContact OE1-CE1 3.2Å; E607-H609 IonicContact OE1-NE2 2.68Å; E607-H609 PolarHBondContact OE1-NE2 2.9Å; E607-H609 IonicContact OE2-NE2 2.66Å; E607-K628 HydrophobicContact CB-CB 4.41Å; E607-K628 PolarHBondContact N-O 2.85Å; E607-K628 PolarHBondContact O-N 3.05Å; E607-L630 HydrophobicContact CB-CD1 4.29Å; E607-L630 HydrophobicContact CB-CD2 3.94Å; E607-L630 HydrophobicContact CB-CG 4.18Å
608V98.2Very high94Very high0 Ų067.8 Ų67.80%034%0.341CS..EExtended strand (participates in β ladder)trans-110.4122.1-178.7-179.40000107.8W566 P596 S600 E601 Y603 F625 L627W566-V608 HydrophobicContact CD2-CG2 3.78Å; W566-V608 HydrophobicContact CE3-CG2 4.07Å; W566-V608 HydrophobicContact CG-CG2 4.3Å; W566-V608 HydrophobicContact CH2-CG1 3.94Å; W566-V608 HydrophobicContact CH2-CG2 4.14Å; W566-V608 HydrophobicContact CZ2-CB 4.47Å; W566-V608 HydrophobicContact CZ2-CG1 3.84Å; W566-V608 HydrophobicContact CZ2-CG2 3.85Å; W566-V608 HydrophobicContact CZ3-CG2 4.24Å; P596-V608 HydrophobicContact CG-CG1 4.26Å; S600-V608 CarbonylContact C-O 3.48Å; S600-V608 WeakPolarHBondContact CA-O 3.49Å; S600-V608 WeakPolarHBondContact CB-O 3.38Å; E601-V608 PolarHBondContact N-O 2.87Å; E601-V608 PolarHBondContact O-N 3.41Å; Y603-V608 HydrophobicContact CD2-CB 4.4Å; Y603-V608 HydrophobicContact CD2-CG2 3.72Å; Y603-V608 HydrophobicContact CE2-CB 4.04Å; Y603-V608 HydrophobicContact CE2-CG2 3.78Å; V608-F625 HydrophobicContact CG1-CB 4.15Å; V608-F625 HydrophobicContact CG1-CD1 3.75Å; V608-F625 HydrophobicContact CG1-CE1 4.38Å; V608-F625 HydrophobicContact CG1-CG 4.03Å; V608-L627 HydrophobicContact CG2-CD1 3.9Å
609H97.6Very high94.5Very high44 Ų4463.4 Ų63.420%0.20432%0.317CS..EExtended strand (participates in β ladder)trans-109.6132.5173.3-54.3-108.2000110.6R599 S600 E607 V611 F625 Y626R599-H609 VanDerWaalsContact O-CA 3.28Å; R599-H609 WeakPolarHBondContact O-CA 3.43Å; S600-H609 WeakPolarHBondContact CB-ND1 3.44Å; S600-H609 PolarHBondContact OG-ND1 3.08Å; E607-H609 WeakPolarHBondContact CG-NE2 3.36Å; E607-H609 IonicContact OE1-CE1 2.76Å; E607-H609 PolarHBondContact OE1-CE1 3.2Å; E607-H609 IonicContact OE1-NE2 2.68Å; E607-H609 PolarHBondContact OE1-NE2 2.9Å; E607-H609 IonicContact OE2-NE2 2.66Å; H609-V611 PolarHBondContact O-N 3.44Å; H609-F625 CarbonylContact O-C 3.55Å; H609-F625 VanDerWaalsContact O-CA 3.27Å; H609-F625 WeakPolarHBondContact O-CA 3.45Å; H609-Y626 HydrophobicContact CB-CD1 4.49Å; H609-Y626 AromaticContact CD2-CD1 3.56Å; H609-Y626 PolarHBondContact N-O 3.31Å; H609-Y626 PolarHBondContact O-N 3.09Å
610L96.9Very high95.2Very high39 Ų3955.3 Ų55.320%0.20429%0.287CS..EExtended strand (participates in β ladder)trans-78112.2169179.261.4000109P596 R599 S612 R623 F625P596-L610 HydrophobicContact CG-CB 4.31Å; R599-L610 PolarHBondContact O-N 3.08Å; R599-L610 VanDerWaalsContact O-N 3.09Å; L610-S612 WeakPolarHBondContact CD1-O 3.39Å; L610-R623 HydrophobicContact CD1-CB 4Å; L610-R623 HydrophobicContact CD1-CG 4.16Å; L610-F625 HydrophobicContact CB-CD1 4.42Å; L610-F625 HydrophobicContact CB-CE1 4.29Å; L610-F625 HydrophobicContact CD1-CD1 4.13Å; L610-F625 HydrophobicContact CD1-CE1 3.73Å; L610-F625 HydrophobicContact CD1-CZ 4.48Å
611V95.1Very high95.3Very high80 Ų8053.7 Ų53.749%0.48528%0.275SS..EExtended strand (participates in β ladder)trans-89.1-43-179.2-176.40000110.8H609 S624H609-V611 PolarHBondContact O-N 3.44Å; V611-S624 WeakPolarHBondContact CB-O 3.4Å; V611-S624 PolarHBondContact N-O 3.01Å
612S94.2Very high95.3Very high56 Ų5650.6 Ų50.639%0.39226%0.261SS..EExtended strand (participates in β ladder)trans-154.515217559.30000111.9L610 R623 S624L610-S612 WeakPolarHBondContact CD1-O 3.39Å; S612-R623 CarbonylContact O-C 3.59Å; S612-R623 VanDerWaalsContact O-CA 3.28Å; S612-R623 WeakPolarHBondContact O-CA 3.34Å; S612-S624 PolarHBondContact N-O 3.24Å; S612-S624 PolarHBondContact O-N 3.01Å; S612-S624 WeakPolarHBondContact OG-CB 3.4Å; S612-S624 PolarHBondContact OG-OG 2.69Å
613E95.1Very high95.3Very high92 Ų9248 Ų4843%0.4324%0.243SC..EExtended strand (participates in β ladder)trans-125.8131165.3-179.8177.978.800107.9L621 V622 R623E613-L621 HydrophobicContact CG-CD1 4.3Å; E613-V622 WeakPolarHBondContact CA-O 3.22Å; E613-R623 HydrophobicContact CB-CG 4.19Å; E613-R623 HydrophobicContact CG-CG 4.02Å; E613-R623 IonicContact OE2-CZ 2.73Å; E613-R623 IonicContact OE2-NE 2.93Å; E613-R623 PolarHBondContact OE2-NE 3.08Å; E613-R623 IonicContact OE2-NH2 3.49Å; E613-R623 PolarHBondContact OE2-NH2 3.29Å
614H94.4Very high95.3Very high95 Ų9548.3 Ų48.344%0.4425%0.248SC..EExtended strand (participates in β ladder)trans-129.6108.8178.8-173.2-148.7000110W616 L621 V622H614-W616 AromaticContact CE1-CD2 3.92Å; H614-W616 AromaticContact CE1-CE2 3.76Å; H614-W616 AromaticContact CE1-CZ2 3.86Å; H614-W616 AromaticContact ND1-CD2 3.94Å; H614-W616 AromaticContact ND1-CE2 3.4Å; H614-W616 AromaticContact ND1-CZ2 3.61Å; H614-W616 AromaticContact ND1-NE1 3.49Å; H614-W616 PolarHBondContact ND1-NE1 3.45Å; H614-W616 PolarHBondContact O-N 2.91Å; H614-L621 CarbonylContact O-C 3.57Å; H614-L621 WeakPolarHBondContact O-CA 3.3Å; H614-V622 PolarHBondContact N-O 2.97Å; H614-V622 PolarHBondContact O-N 3.44Å
615I94.3Very high95.4Very high89 Ų8944.5 Ų44.546%0.45623%0.23SC..EExtended strand (participates in β ladder)trans-79.4115.2173.4-56.1170.7000107.5T181 C617 L621T181-I615 HydrophobicContact CG2-CD1 4.37Å; I615-C617 WeakPolarHBondContact CG2-O 3.42Å; I615-L621 HydrophobicContact CB-CB 4.44Å; I615-L621 HydrophobicContact CG1-CB 4.12Å; I615-L621 HydrophobicContact CG1-CD2 4.42Å
616W90.6Very high95.5Very high77 Ų7747.4 Ų47.429%0.29224%0.238SC..  trans-87.9-39.5-178.4-75.487.6000112I165 H614 Y620 K664I165-W616 HydrophobicContact CD1-CZ2 4.46Å; H614-W616 AromaticContact CE1-CD2 3.92Å; H614-W616 AromaticContact CE1-CE2 3.76Å; H614-W616 AromaticContact CE1-CZ2 3.86Å; H614-W616 AromaticContact ND1-CD2 3.94Å; H614-W616 AromaticContact ND1-CE2 3.4Å; H614-W616 AromaticContact ND1-CZ2 3.61Å; H614-W616 AromaticContact ND1-NE1 3.49Å; H614-W616 PolarHBondContact ND1-NE1 3.45Å; H614-W616 PolarHBondContact O-N 2.91Å; W616-Y620 HydrophobicContact CB-CD2 3.95Å; W616-Y620 HydrophobicContact CB-CE2 3.39Å; W616-Y620 AromaticContact CD1-CE2 3.91Å; W616-Y620 HydrophobicContact CG-CD2 4.28Å; W616-Y620 AromaticContact CG-CE2 3.67Å; W616-Y620 HydrophobicContact CG-CE2 3.67Å; W616-Y620 PolarHBondContact N-O 3.27Å; W616-K664 HydrophobicContact CD2-CD 4.02Å; W616-K664 HydrophobicContact CE3-CD 4.34Å; W616-K664 VanDerWaalsContact CE3-NZ 3.3Å; W616-K664 HydrophobicContact CG-CD 4.45Å; W616-K664 HydrophobicContact CZ2-CD 4.19Å
617C91.2Very high95.5Very high45 Ų4547 Ų4730%0.30424%0.236SC..SBendtrans-155.7-175.9173.961.40000108.9I615 D619 Y620I615-C617 WeakPolarHBondContact CG2-O 3.42Å; C617-D619 PolarHBondContact O-N 3.03Å; C617-D619 PolarHBondContact SG-N 3.04Å; C617-Y620 PolarHBondContact N-O 3.46Å; C617-Y620 VanDerWaalsContact SG-CD1 3.55Å; C617-Y620 WeakPolarHBondContact SG-CE1 3.43Å
618E91.7Very high95.5Very high127 Ų12747.2 Ų47.259%0.59324%0.236SC*.SBendtrans-66-24176-61.4179.6176.200112.4P184P184-E618 WeakPolarHBondContact CG-OE1 3.35Å
619D94.1Very high95.4Very high41 Ų4147.7 Ų47.722%0.21924%0.239CC..SBendtrans-82.2-26-177.2-55.6-47000114.8C617 Y643 L644 S645 S657C617-D619 PolarHBondContact O-N 3.03Å; C617-D619 PolarHBondContact SG-N 3.04Å; D619-Y643 HydrophobicContact CB-CE2 4.28Å; D619-L644 PolarHBondContact O-N 3.37Å; D619-S645 WeakPolarHBondContact CA-OG 3.06Å; D619-S645 PolarHBondContact O-N 2.9Å; D619-S645 WeakPolarHBondContact OD1-CB 3.37Å; D619-S645 PolarHBondContact OD1-OG 2.97Å; D619-S657 VanDerWaalsContact CB-OG 3.31Å; D619-S657 WeakPolarHBondContact CB-OG 3.32Å; D619-S657 VanDerWaalsContact CG-OG 3.27Å; D619-S657 VanDerWaalsContact OD2-CB 3.29Å; D619-S657 WeakPolarHBondContact OD2-CB 3.5Å; D619-S657 PolarHBondContact OD2-OG 3.14Å
620Y95.4Very high95.4Very high5 Ų548.5 Ų48.52%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-160.6154.6-179.463.7-92.5000115W616 C617 H642 Y643 E660 F661 K664W616-Y620 HydrophobicContact CB-CD2 3.95Å; W616-Y620 HydrophobicContact CB-CE2 3.39Å; W616-Y620 AromaticContact CD1-CE2 3.91Å; W616-Y620 HydrophobicContact CG-CD2 4.28Å; W616-Y620 AromaticContact CG-CE2 3.67Å; W616-Y620 HydrophobicContact CG-CE2 3.67Å; W616-Y620 PolarHBondContact N-O 3.27Å; C617-Y620 PolarHBondContact N-O 3.46Å; C617-Y620 VanDerWaalsContact SG-CD1 3.55Å; C617-Y620 WeakPolarHBondContact SG-CE1 3.43Å; Y620-H642 WeakPolarHBondContact CA-O 3.45Å; Y620-H642 VanDerWaalsContact CB-O 3.26Å; Y620-H642 WeakPolarHBondContact CB-O 3.23Å; Y620-Y643 HydrophobicContact CD1-CD2 4.13Å; Y620-Y643 HydrophobicContact CD1-CE2 4.12Å; Y620-Y643 HydrophobicContact CG-CD2 4.42Å; Y620-E660 PolarHBondContact OH-OE1 3.01Å; Y620-F661 HydrophobicContact CD1-CB 4.01Å; Y620-F661 AromaticContact CD1-CD2 4Å; Y620-F661 HydrophobicContact CD1-CD2 4Å; Y620-F661 HydrophobicContact CD1-CG 4.44Å; Y620-F661 AromaticContact CD2-CD2 3.73Å; Y620-F661 HydrophobicContact CD2-CD2 3.73Å; Y620-F661 HydrophobicContact CD2-CE2 4.43Å; Y620-F661 HydrophobicContact CE1-CB 4.08Å; Y620-F661 HydrophobicContact CE2-CD2 4.39Å; Y620-F661 HydrophobicContact CG-CB 4.38Å; Y620-F661 AromaticContact CG-CD2 3.52Å; Y620-F661 HydrophobicContact CG-CD2 3.52Å; Y620-F661 HydrophobicContact CG-CE2 4.24Å; Y620-F661 HydrophobicContact CG-CG 4.39Å; Y620-K664 HydrophobicContact CE2-CD 3.97Å; Y620-K664 WeakPolarHBondContact OH-CE 3.44Å
621L96.7Very high95.2Very high13 Ų1351.7 Ų51.77%0.06827%0.265CS..EExtended strand (participates in β ladder)trans-127.9164.9172.262.481.7000111.2E613 H614 I615 R623 H642 L644E613-L621 HydrophobicContact CG-CD1 4.3Å; H614-L621 CarbonylContact O-C 3.57Å; H614-L621 WeakPolarHBondContact O-CA 3.3Å; I615-L621 HydrophobicContact CB-CB 4.44Å; I615-L621 HydrophobicContact CG1-CB 4.12Å; I615-L621 HydrophobicContact CG1-CD2 4.42Å; L621-R623 HydrophobicContact CD1-CG 3.85Å; L621-H642 HydrophobicContact CD1-CB 3.73Å; L621-H642 HydrophobicContact CG-CB 4.17Å; L621-H642 PolarHBondContact N-O 3.41Å; L621-H642 PolarHBondContact O-N 3.17Å; L621-L644 HydrophobicContact CD2-CD1 4.2Å
622V97.2Very high95.2Very high16 Ų1651.3 Ų51.310%0.09726%0.264CS..EExtended strand (participates in β ladder)trans-128.2133.2175.8-179.10000109.4E613 H614 T639 Q640 F641E613-V622 WeakPolarHBondContact CA-O 3.22Å; H614-V622 PolarHBondContact N-O 2.97Å; H614-V622 PolarHBondContact O-N 3.44Å; V622-T639 HydrophobicContact CG1-CG2 3.5Å; V622-T639 VanDerWaalsContact CG1-CG2 3.5Å; V622-Q640 CarbonylContact C-O 3.59Å; V622-Q640 WeakPolarHBondContact CA-O 3.36Å; V622-F641 HydrophobicContact CG1-CD1 4.28Å; V622-F641 HydrophobicContact CG1-CE1 4.1Å; V622-F641 HydrophobicContact CG1-CZ 4.29Å; V622-F641 HydrophobicContact CG2-CD1 3.45Å; V622-F641 VanDerWaalsContact CG2-CD1 3.45Å; V622-F641 HydrophobicContact CG2-CE1 3.62Å; V622-F641 HydrophobicContact CG2-CG 4.28Å
623R96.9Very high95.3Very high20 Ų2053.8 Ų53.88%0.07527%0.269CS..EExtended strand (participates in β ladder)trans-115.9140.3174.2-61.4-178.3-177122.1-5.8110.6L610 S612 E613 L621 F625 T639 Q640 H642L610-R623 HydrophobicContact CD1-CB 4Å; L610-R623 HydrophobicContact CD1-CG 4.16Å; S612-R623 CarbonylContact O-C 3.59Å; S612-R623 VanDerWaalsContact O-CA 3.28Å; S612-R623 WeakPolarHBondContact O-CA 3.34Å; E613-R623 HydrophobicContact CB-CG 4.19Å; E613-R623 HydrophobicContact CG-CG 4.02Å; E613-R623 IonicContact OE2-CZ 2.73Å; E613-R623 IonicContact OE2-NE 2.93Å; E613-R623 PolarHBondContact OE2-NE 3.08Å; E613-R623 IonicContact OE2-NH2 3.49Å; E613-R623 PolarHBondContact OE2-NH2 3.29Å; L621-R623 HydrophobicContact CD1-CG 3.85Å; R623-F625 HydrophobicContact CB-CE1 4.42Å; R623-F625 HydrophobicContact CB-CE2 4.05Å; R623-F625 HydrophobicContact CB-CZ 3.91Å; R623-F625 HydrophobicContact CG-CZ 4.47Å; R623-T639 CarbonylContact O-C 3.5Å; R623-T639 WeakPolarHBondContact O-CA 3.23Å; R623-Q640 HydrophobicContact CB-CB 4.4Å; R623-Q640 PolarHBondContact N-O 3.04Å; R623-Q640 PolarHBondContact O-N 2.76Å; R623-H642 PolarHBondContact NH1-ND1 3.04Å; R623-H642 VanDerWaalsContact NH1-ND1 3.13Å
624S96.2Very high95.4Very high21 Ų2153.7 Ų53.715%0.14727%0.271CS..EExtended strand (participates in β ladder)trans-106.5120.8168.7-61.40000109.1V611 S612V611-S624 WeakPolarHBondContact CB-O 3.4Å; V611-S624 PolarHBondContact N-O 3.01Å; S612-S624 PolarHBondContact N-O 3.24Å; S612-S624 PolarHBondContact O-N 3.01Å; S612-S624 WeakPolarHBondContact OG-CB 3.4Å; S612-S624 PolarHBondContact OG-OG 2.69Å
625F97.5Very high95.5Very high0 Ų052 Ų520%027%0.268CS..EExtended strand (participates in β ladder)trans-104.6142.1175-61.2-65.2000111.1W566 W595 V608 H609 L610 R623 T637 V638 Q640W566-F625 HydrophobicContact CH2-CD2 4.07Å; W566-F625 HydrophobicContact CH2-CE2 4.5Å; W566-F625 HydrophobicContact CH2-CG 4.41Å; W595-F625 HydrophobicContact CB-CE1 3.81Å; W595-F625 HydrophobicContact CB-CE2 4.32Å; W595-F625 HydrophobicContact CB-CZ 3.45Å; W595-F625 VanDerWaalsContact CB-CZ 3.45Å; W595-F625 HydrophobicContact CG-CE1 4.46Å; W595-F625 AromaticContact CG-CZ 3.9Å; W595-F625 HydrophobicContact CG-CZ 3.9Å; V608-F625 HydrophobicContact CG1-CB 4.15Å; V608-F625 HydrophobicContact CG1-CD1 3.75Å; V608-F625 HydrophobicContact CG1-CE1 4.38Å; V608-F625 HydrophobicContact CG1-CG 4.03Å; H609-F625 CarbonylContact O-C 3.55Å; H609-F625 VanDerWaalsContact O-CA 3.27Å; H609-F625 WeakPolarHBondContact O-CA 3.45Å; L610-F625 HydrophobicContact CB-CD1 4.42Å; L610-F625 HydrophobicContact CB-CE1 4.29Å; L610-F625 HydrophobicContact CD1-CD1 4.13Å; L610-F625 HydrophobicContact CD1-CE1 3.73Å; L610-F625 HydrophobicContact CD1-CZ 4.48Å; R623-F625 HydrophobicContact CB-CE1 4.42Å; R623-F625 HydrophobicContact CB-CE2 4.05Å; R623-F625 HydrophobicContact CB-CZ 3.91Å; R623-F625 HydrophobicContact CG-CZ 4.47Å; F625-T637 CarbonylContact O-C 3.58Å; F625-T637 WeakPolarHBondContact O-CA 3.48Å; F625-V638 WeakPolarHBondContact CB-O 3.27Å; F625-V638 PolarHBondContact N-O 3Å; F625-V638 PolarHBondContact O-N 3.2Å; F625-Q640 HydrophobicContact CD2-CB 4.23Å; F625-Q640 HydrophobicContact CE2-CB 3.61Å; F625-Q640 HydrophobicContact CE2-CG 4.46Å
626Y96.9Very high95.5Very high84 Ų8450.9 Ų50.933%0.32926%0.258SS..EExtended strand (participates in β ladder)trans-101.3111.9162.8172.4-95.1000107.2H609 K628 T635H609-Y626 HydrophobicContact CB-CD1 4.49Å; H609-Y626 AromaticContact CD2-CD1 3.56Å; H609-Y626 PolarHBondContact N-O 3.31Å; H609-Y626 PolarHBondContact O-N 3.09Å; Y626-K628 HydrophobicContact CE1-CB 4.41Å; Y626-T635 HydrophobicContact CE1-CG2 4.35Å; Y626-T635 HydrophobicContact CE2-CG2 4.1Å; Y626-T635 VanDerWaalsContact OH-CG2 3.29Å; Y626-T635 WeakPolarHBondContact OH-CG2 3.41Å
627L97.7Very high95.8Very high0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-102.8121.5-175.417263.1000108.7W566 V569 W570 F606 V608 T635 R636 V638W566-L627 HydrophobicContact CE3-CD1 3.84Å; W566-L627 HydrophobicContact CE3-CD2 4.01Å; W566-L627 HydrophobicContact CZ3-CD1 4.22Å; W566-L627 HydrophobicContact CZ3-CD2 4.11Å; V569-L627 HydrophobicContact CG1-CD2 3.94Å; W570-L627 HydrophobicContact CE3-CD2 3.81Å; W570-L627 HydrophobicContact CE3-CG 3.97Å; W570-L627 HydrophobicContact CZ3-CD2 4.33Å; W570-L627 HydrophobicContact CZ3-CG 4.14Å; F606-L627 HydrophobicContact CB-CD1 3.97Å; F606-L627 HydrophobicContact CD1-CD1 4.33Å; V608-L627 HydrophobicContact CG2-CD1 3.9Å; L627-T635 CarbonylContact O-C 3.58Å; L627-T635 WeakPolarHBondContact O-CA 3.48Å; L627-R636 PolarHBondContact N-O 3.2Å; L627-R636 PolarHBondContact O-N 3.14Å; L627-V638 HydrophobicContact CB-CG2 4.17Å; L627-V638 HydrophobicContact CD2-CG2 3.82Å
628K97.6Very high96.1Very high47 Ų4747.9 Ų47.920%0.20425%0.246CC..EExtended strand (participates in β ladder)trans-117.4127.7179-179.6-178.1179.7-168.20110.7F606 E607 Y626 L630 T635F606-K628 WeakPolarHBondContact CA-O 3.38Å; E607-K628 HydrophobicContact CB-CB 4.41Å; E607-K628 PolarHBondContact N-O 2.85Å; E607-K628 PolarHBondContact O-N 3.05Å; Y626-K628 HydrophobicContact CE1-CB 4.41Å; K628-L630 HydrophobicContact CD-CD2 4.2Å; K628-L630 HydrophobicContact CG-CD2 4.47Å; K628-T635 HydrophobicContact CB-CG2 4.18Å; K628-T635 HydrophobicContact CG-CG2 3.98Å
629N96.9Very high96.4Very high11 Ų1142.7 Ų42.76%0.05922%0.224CC..EExtended strand (participates in β ladder)trans-81.6116.6168.5-174.7-42.8000108.9W570 F606 T631 T632 Q633 D634W570-N629 HydrophobicContact CD2-CB 4.19Å; W570-N629 HydrophobicContact CE3-CB 4.28Å; W570-N629 HydrophobicContact CH2-CB 3.7Å; W570-N629 HydrophobicContact CZ2-CB 3.58Å; W570-N629 HydrophobicContact CZ3-CB 4.04Å; W570-N629 PolarHBondContact NE1-ND2 3.27Å; F606-N629 HydrophobicContact CE1-CB 4.4Å; N629-T631 VanDerWaalsContact C-N 3.3Å; N629-T631 PolarHBondContact O-N 2.76Å; N629-T631 WeakPolarHBondContact OD1-CA 3.5Å; N629-T631 VanDerWaalsContact OD1-CB 3.31Å; N629-T631 WeakPolarHBondContact OD1-CB 3.28Å; N629-T631 PolarHBondContact OD1-N 2.82Å; N629-T632 PolarHBondContact OD1-N 3.21Å; N629-Q633 WeakPolarHBondContact O-CA 3.45Å; N629-Q633 PolarHBondContact O-N 3.29Å; N629-D634 PolarHBondContact N-O 2.91Å
630L96.2Very high96.5Very high60 Ų6040.8 Ų40.831%0.31421%0.213SC..THydrogen-bonded Turntrans-74.6-20.1-178.6-62.5178.1000113V602 S605 E607 K628 Q633V602-L630 HydrophobicContact CG1-CD1 3.67Å; S605-L630 WeakPolarHBondContact O-CB 3.39Å; S605-L630 PolarHBondContact O-N 2.67Å; E607-L630 HydrophobicContact CB-CD1 4.29Å; E607-L630 HydrophobicContact CB-CD2 3.94Å; E607-L630 HydrophobicContact CB-CG 4.18Å; K628-L630 HydrophobicContact CD-CD2 4.2Å; K628-L630 HydrophobicContact CG-CD2 4.47Å; L630-Q633 PolarHBondContact O-NE2 2.83Å
631T94Very high96.7Very high106 Ų10641 Ų4165%0.6522%0.215SC*.THydrogen-bonded Turntrans-81.5-46.2177.8-510000111.5S605 N629S605-T631 PolarHBondContact OG-OG1 2.78Å; N629-T631 VanDerWaalsContact C-N 3.3Å; N629-T631 PolarHBondContact O-N 2.76Å; N629-T631 WeakPolarHBondContact OD1-CA 3.5Å; N629-T631 VanDerWaalsContact OD1-CB 3.31Å; N629-T631 WeakPolarHBondContact OD1-CB 3.28Å; N629-T631 PolarHBondContact OD1-N 2.82Å
632T94.8Very high96.8Very high73 Ų7340.8 Ų40.845%0.44821%0.213SC..THydrogen-bonded Turntrans-95.2-15.3-178.9690000114.1N629 D634N629-T632 PolarHBondContact OD1-N 3.21Å; T632-D634 WeakPolarHBondContact CB-OD2 3.22Å; T632-D634 PolarHBondContact O-N 2.86Å; T632-D634 WeakPolarHBondContact OG1-CB 3.49Å; T632-D634 VanDerWaalsContact OG1-CG 3.28Å; T632-D634 PolarHBondContact OG1-N 3.03Å; T632-D634 PolarHBondContact OG1-OD2 3.1Å
633Q95.6Very high96.8Very high108 Ų10840.1 Ų40.151%0.50521%0.209SC..  trans64.83.9-169.5-57.5-67-58.400115.4N629 L630N629-Q633 WeakPolarHBondContact O-CA 3.45Å; N629-Q633 PolarHBondContact O-N 3.29Å; L630-Q633 PolarHBondContact O-NE2 2.83Å
634D97.1Very high96.7Very high89 Ų8941.3 Ų41.348%0.47622%0.216SC..  trans-65155.4172.1-63.1-55.2000112.1W570 N629 T632W570-D634 HydrophobicContact CH2-CB 3.56Å; W570-D634 HydrophobicContact CZ2-CB 3.62Å; N629-D634 PolarHBondContact N-O 2.91Å; T632-D634 WeakPolarHBondContact CB-OD2 3.22Å; T632-D634 PolarHBondContact O-N 2.86Å; T632-D634 WeakPolarHBondContact OG1-CB 3.49Å; T632-D634 VanDerWaalsContact OG1-CG 3.28Å; T632-D634 PolarHBondContact OG1-N 3.03Å; T632-D634 PolarHBondContact OG1-OD2 3.1Å
635T96.6Very high96.6Very high59 Ų5941.9 Ų41.936%0.36222%0.22SC..EExtended strand (participates in β ladder)trans-135.8150.5-176.1600000111.9Y626 L627 K628Y626-T635 HydrophobicContact CE1-CG2 4.35Å; Y626-T635 HydrophobicContact CE2-CG2 4.1Å; Y626-T635 VanDerWaalsContact OH-CG2 3.29Å; Y626-T635 WeakPolarHBondContact OH-CG2 3.41Å; L627-T635 CarbonylContact O-C 3.58Å; L627-T635 WeakPolarHBondContact O-CA 3.48Å; K628-T635 HydrophobicContact CB-CG2 4.18Å; K628-T635 HydrophobicContact CG-CG2 3.98Å
636R95.7Very high96.4Very high67 Ų6742 Ų4225%0.25322%0.221SC..EExtended strand (participates in β ladder)trans-144.9155.3177.1-60.1-176-165.9166.27.6110.9W570 L575 L627W570-R636 HydrophobicContact CH2-CG 3.98Å; W570-R636 HydrophobicContact CZ3-CB 4.33Å; W570-R636 HydrophobicContact CZ3-CG 3.73Å; W570-R636 VanDerWaalsContact O-CZ 3.27Å; W570-R636 PolarHBondContact O-NH1 2.96Å; W570-R636 PolarHBondContact O-NH2 2.61Å; L575-R636 HydrophobicContact CD2-CB 4.42Å; L627-R636 PolarHBondContact N-O 3.2Å; L627-R636 PolarHBondContact O-N 3.14Å
637T95.8Very high96.2Very high58 Ų5841 Ų4136%0.35623%0.225SC..EExtended strand (participates in β ladder)trans-98.6129.8165.9-54.90000108.9F625F625-T637 CarbonylContact O-C 3.58Å; F625-T637 WeakPolarHBondContact O-CA 3.48Å
638V97.1Very high95.7Very high0 Ų042.5 Ų42.50%023%0.232CC..EExtended strand (participates in β ladder)trans-125.8127.4179.4-179.60000109.1V569 L575 I577 F625 L627V569-V638 HydrophobicContact CG1-CG1 4.23Å; V569-V638 HydrophobicContact CG1-CG2 4.12Å; L575-V638 WeakPolarHBondContact O-CA 3.47Å; I577-V638 HydrophobicContact CD1-CG1 3.67Å; I577-V638 HydrophobicContact CG1-CG1 3.93Å; F625-V638 WeakPolarHBondContact CB-O 3.27Å; F625-V638 PolarHBondContact N-O 3Å; F625-V638 PolarHBondContact O-N 3.2Å; L627-V638 HydrophobicContact CB-CG2 4.17Å; L627-V638 HydrophobicContact CD2-CG2 3.82Å
639T97.5Very high95.1Very high19 Ų1948 Ų4812%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-104.2119.1-178.3-550000110.4L575 V576 I577 V622 R623 F641L575-T639 PolarHBondContact O-N 3.08Å; V576-T639 WeakPolarHBondContact CA-O 3.3Å; I577-T639 PolarHBondContact N-O 3.13Å; V622-T639 HydrophobicContact CG1-CG2 3.5Å; V622-T639 VanDerWaalsContact CG1-CG2 3.5Å; R623-T639 CarbonylContact O-C 3.5Å; R623-T639 WeakPolarHBondContact O-CA 3.23Å; T639-F641 HydrophobicContact CG2-CD2 4.01Å; T639-F641 HydrophobicContact CG2-CE2 3.47Å; T639-F641 VanDerWaalsContact CG2-CE2 3.47Å; T639-F641 HydrophobicContact CG2-CZ 3.91Å
640Q98.1Very high94.8Very high0 Ų048.3 Ų48.30%026%0.263CS..EExtended strand (participates in β ladder)trans-95.8119.9172.3-179.2-164.664.900109.9I577 Y594 V622 R623 F625I577-Q640 HydrophobicContact CB-CB 4.35Å; I577-Q640 HydrophobicContact CB-CG 4.41Å; I577-Q640 HydrophobicContact CG2-CG 4.33Å; I577-Q640 CarbonylContact O-C 3.05Å; I577-Q640 WeakPolarHBondContact O-CA 3.07Å; Y594-Q640 PolarHBondContact OH-NE2 3.27Å; V622-Q640 CarbonylContact C-O 3.59Å; V622-Q640 WeakPolarHBondContact CA-O 3.36Å; R623-Q640 HydrophobicContact CB-CB 4.4Å; R623-Q640 PolarHBondContact N-O 3.04Å; R623-Q640 PolarHBondContact O-N 2.76Å; F625-Q640 HydrophobicContact CD2-CB 4.23Å; F625-Q640 HydrophobicContact CE2-CB 3.61Å; F625-Q640 HydrophobicContact CE2-CG 4.46Å
641F98.4Very high94.7Very high11 Ų1147.6 Ų47.65%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-94.1121.7167.1-68.9-95.8000108.1V576 I577 V578 N579 V622 T639 F661 K664 V665V576-F641 HydrophobicContact CG1-CD2 3.87Å; V576-F641 HydrophobicContact CG1-CE2 3.95Å; I577-F641 PolarHBondContact O-N 3.2Å; V578-F641 CarbonylContact C-O 3.56Å; V578-F641 WeakPolarHBondContact CA-O 3.14Å; N579-F641 PolarHBondContact N-O 2.78Å; V622-F641 HydrophobicContact CG1-CD1 4.28Å; V622-F641 HydrophobicContact CG1-CE1 4.1Å; V622-F641 HydrophobicContact CG1-CZ 4.29Å; V622-F641 HydrophobicContact CG2-CD1 3.45Å; V622-F641 VanDerWaalsContact CG2-CD1 3.45Å; V622-F641 HydrophobicContact CG2-CE1 3.62Å; V622-F641 HydrophobicContact CG2-CG 4.28Å; T639-F641 HydrophobicContact CG2-CD2 4.01Å; T639-F641 HydrophobicContact CG2-CE2 3.47Å; T639-F641 VanDerWaalsContact CG2-CE2 3.47Å; T639-F641 HydrophobicContact CG2-CZ 3.91Å; F641-F661 HydrophobicContact CB-CE2 3.64Å; F641-F661 HydrophobicContact CB-CZ 3.66Å; F641-F661 HydrophobicContact CD1-CE2 4.48Å; F641-K664 HydrophobicContact CE1-CB 3.91Å; F641-V665 HydrophobicContact CB-CG2 3.79Å; F641-V665 HydrophobicContact CD1-CG2 3.66Å; F641-V665 HydrophobicContact CD2-CG2 3.93Å; F641-V665 HydrophobicContact CE1-CG2 4.23Å; F641-V665 HydrophobicContact CE2-CG2 4.45Å; F641-V665 HydrophobicContact CG-CG2 3.52Å
642H98Very high94.7Very high8 Ų842.7 Ų42.74%0.03723%0.232CC..EExtended strand (participates in β ladder)trans-122.9108.3-172.7-173.9177.1000109.8N579 T581 W595 Y620 L621 R623 L644N579-H642 HydrophobicContact CB-CB 4.43Å; N579-H642 PolarHBondContact ND2-CD2 3.41Å; N579-H642 PolarHBondContact ND2-NE2 3.48Å; N579-H642 WeakPolarHBondContact O-CA 2.82Å; T581-H642 PolarHBondContact O-NE2 2.9Å; W595-H642 AromaticContact CH2-CE1 3.71Å; W595-H642 AromaticContact CZ2-CE1 3.92Å; Y620-H642 WeakPolarHBondContact CA-O 3.45Å; Y620-H642 VanDerWaalsContact CB-O 3.26Å; Y620-H642 WeakPolarHBondContact CB-O 3.23Å; L621-H642 HydrophobicContact CD1-CB 3.73Å; L621-H642 HydrophobicContact CG-CB 4.17Å; L621-H642 PolarHBondContact N-O 3.41Å; L621-H642 PolarHBondContact O-N 3.17Å; R623-H642 PolarHBondContact NH1-ND1 3.04Å; R623-H642 VanDerWaalsContact NH1-ND1 3.13Å; H642-L644 WeakPolarHBondContact NE2-CD2 3.28Å
643Y97.6Very high94.4Very high1 Ų144.6 Ų44.60%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-91.8127.5177.6-160.1-89.9000110.1N579 D619 Y620 W646 P652 L658 F661N579-Y643 PolarHBondContact O-N 3.31Å; D619-Y643 HydrophobicContact CB-CE2 4.28Å; Y620-Y643 HydrophobicContact CD1-CD2 4.13Å; Y620-Y643 HydrophobicContact CD1-CE2 4.12Å; Y620-Y643 HydrophobicContact CG-CD2 4.42Å; Y643-W646 HydrophobicContact CD1-CB 3.8Å; Y643-W646 HydrophobicContact CE1-CB 3.93Å; Y643-P652 HydrophobicContact CE1-CB 4.16Å; Y643-P652 HydrophobicContact CE1-CG 4.19Å; Y643-L658 HydrophobicContact CD1-CD1 4.37Å; Y643-L658 HydrophobicContact CD2-CD1 3.95Å; Y643-L658 HydrophobicContact CE1-CD1 4.25Å; Y643-L658 HydrophobicContact CE2-CB 4.34Å; Y643-L658 HydrophobicContact CE2-CD1 3.83Å; Y643-L658 HydrophobicContact CG-CD1 4.22Å; Y643-L658 PolarHBondContact OH-N 2.88Å; Y643-F661 HydrophobicContact CD2-CB 4Å; Y643-F661 AromaticContact CD2-CD1 3.94Å; Y643-F661 HydrophobicContact CD2-CD1 3.94Å; Y643-F661 AromaticContact CD2-CD2 3.84Å; Y643-F661 HydrophobicContact CD2-CD2 3.84Å; Y643-F661 HydrophobicContact CD2-CE1 4.31Å; Y643-F661 HydrophobicContact CD2-CE2 4.18Å; Y643-F661 AromaticContact CD2-CG 3.69Å; Y643-F661 HydrophobicContact CD2-CG 3.69Å; Y643-F661 HydrophobicContact CD2-CZ 4.41Å; Y643-F661 HydrophobicContact CE2-CB 4.15Å; Y643-F661 HydrophobicContact CE2-CG 4.33Å
644L95.4Very high94Very high45 Ų4543.2 Ų43.224%0.23624%0.241CC..  trans-109.6-24.4-169.6-61170.9000112.7K582 D619 L621 H642 W646K582-L644 WeakPolarHBondContact CE-O 3.47Å; K582-L644 HydrophobicContact CG-CD2 4.41Å; D619-L644 PolarHBondContact O-N 3.37Å; L621-L644 HydrophobicContact CD2-CD1 4.2Å; H642-L644 WeakPolarHBondContact NE2-CD2 3.28Å; L644-W646 PolarHBondContact O-N 3.24Å
645S93.7Very high93.9Very high33 Ų3340 Ų4023%0.23123%0.225CC..SBendtrans-94.536.3-176.6-70.20000114D619 P652 P653D619-S645 WeakPolarHBondContact CA-OG 3.06Å; D619-S645 PolarHBondContact O-N 2.9Å; D619-S645 WeakPolarHBondContact OD1-CB 3.37Å; D619-S645 PolarHBondContact OD1-OG 2.97Å; S645-P652 WeakPolarHBondContact O-CA 3.47Å; S645-P653 VanDerWaalsContact O-CD 3.27Å; S645-P653 WeakPolarHBondContact O-CD 3.39Å
646W94.7Very high93.7Very high2 Ų243.7 Ų43.71%0.00824%0.236CC..  trans-123106.8173.8-162.5-19.1000110L580 Y643 L644 G650 P652 L658 R686 T689L580-W646 HydrophobicContact CB-CE3 4.44Å; L580-W646 HydrophobicContact CD1-CZ3 4.2Å; L580-W646 HydrophobicContact CD2-CE3 4.23Å; L580-W646 HydrophobicContact CD2-CZ3 4.26Å; Y643-W646 HydrophobicContact CD1-CB 3.8Å; Y643-W646 HydrophobicContact CE1-CB 3.93Å; L644-W646 PolarHBondContact O-N 3.24Å; W646-G650 PolarHBondContact NE1-O 3.2Å; W646-G650 VanDerWaalsContact NE1-O 3.09Å; W646-P652 HydrophobicContact CB-CG 4.18Å; W646-P652 HydrophobicContact CD2-CG 3.61Å; W646-P652 HydrophobicContact CE3-CG 3.93Å; W646-P652 HydrophobicContact CG-CG 3.73Å; W646-L658 HydrophobicContact CE3-CD1 3.99Å; W646-L658 HydrophobicContact CE3-CD2 4.36Å; W646-L658 HydrophobicContact CH2-CD2 4.04Å; W646-L658 HydrophobicContact CZ3-CD1 3.84Å; W646-L658 HydrophobicContact CZ3-CD2 3.66Å; W646-L658 HydrophobicContact CZ3-CG 4.43Å; W646-R686 HydrophobicContact CD2-CB 4.07Å; W646-R686 HydrophobicContact CD2-CG 4Å; W646-R686 HydrophobicContact CE3-CB 4.35Å; W646-R686 HydrophobicContact CG-CG 4.13Å; W646-R686 HydrophobicContact CH2-CB 4.34Å; W646-R686 WeakPolarHBondContact CH2-O 3.37Å; W646-R686 HydrophobicContact CZ2-CB 4.04Å; W646-R686 HydrophobicContact CZ2-CG 4.23Å; W646-R686 HydrophobicContact CZ3-CB 4.48Å; W646-R686 PolarHBondContact O-NH1 2.75Å; W646-T689 HydrophobicContact CH2-CG2 3.75Å; W646-T689 HydrophobicContact CZ2-CG2 3.69Å
647P92.4Very high93.7Very high63 Ų6341 Ų4141%0.40923%0.228SC..  trans-68.6157.8174.531-35.9000111.6V651P647-V651 WeakPolarHBondContact CD-O 3.4Å
648E87.2Confident93.7Very high33 Ų3338.4 Ų38.415%0.15421%0.212CC..SBendtrans-60.6-60.6172.6-170.1173-123.100112.5K590 G650K590-E648 WeakPolarHBondContact CD-OE1 3.04Å; K590-E648 VanDerWaalsContact CE-CD 3.43Å; K590-E648 WeakPolarHBondContact CE-OE1 3.36Å; K590-E648 WeakPolarHBondContact CE-OE2 3.33Å; K590-E648 IonicContact NZ-OE1 3.14Å; K590-E648 PolarHBondContact NZ-OE1 2.92Å; K590-E648 IonicContact NZ-OE2 2.67Å; K590-E648 PolarHBondContact NZ-OE2 3.44Å; E648-G650 PolarHBondContact O-N 3.5Å
649E84Confident93.7Very high163 Ų16338.7 Ų38.776%0.76221%0.213SC*.SBendtrans-8260.8-179.5-61.4-56.4145.600111.4
650G90.5Very high93.5Very high16 Ų1641.4 Ų41.417%0.16522%0.224CC..SBendtrans156.9-142.6171.900000115.5W646 E648 Q729W646-G650 PolarHBondContact NE1-O 3.2Å; W646-G650 VanDerWaalsContact NE1-O 3.09Å; E648-G650 PolarHBondContact O-N 3.5Å; G650-Q729 PolarHBondContact O-NE2 2.81Å
651V94.6Very high93.4Very high46 Ų4641.4 Ų41.428%0.27922%0.224SC..  trans-133.5158.5-167.9-60.10000111.4P647 E728 Q729 F732P647-V651 WeakPolarHBondContact CD-O 3.4Å; V651-E728 HydrophobicContact CG1-CB 4.34Å; V651-E728 WeakPolarHBondContact CG1-O 3.27Å; V651-Q729 HydrophobicContact CG1-CG 4.06Å; V651-F732 HydrophobicContact CB-CB 4.1Å; V651-F732 HydrophobicContact CB-CD1 4.49Å; V651-F732 HydrophobicContact CB-CD2 3.86Å; V651-F732 HydrophobicContact CB-CE2 4.44Å; V651-F732 HydrophobicContact CB-CG 3.89Å; V651-F732 HydrophobicContact CG1-CB 3.69Å; V651-F732 HydrophobicContact CG1-CD2 4.4Å; V651-F732 HydrophobicContact CG1-CG 4Å; V651-F732 HydrophobicContact CG2-CD2 4.1Å
652P94.3Very high93.3Very high3 Ų341.4 Ų41.42%0.01922%0.224CC..  trans-60.8145.1173.1-19.932.2000111.6Y643 S645 W646 N654 L658 F732Y643-P652 HydrophobicContact CE1-CB 4.16Å; Y643-P652 HydrophobicContact CE1-CG 4.19Å; S645-P652 WeakPolarHBondContact O-CA 3.47Å; W646-P652 HydrophobicContact CB-CG 4.18Å; W646-P652 HydrophobicContact CD2-CG 3.61Å; W646-P652 HydrophobicContact CE3-CG 3.93Å; W646-P652 HydrophobicContact CG-CG 3.73Å; P652-N654 PolarHBondContact O-N 3.02Å; P652-L658 HydrophobicContact CG-CD2 4.44Å; P652-F732 HydrophobicContact CB-CE2 4.38Å; P652-F732 HydrophobicContact CB-CZ 3.91Å; P652-F732 VanDerWaalsContact CD-CZ 3.48Å; P652-F732 HydrophobicContact CG-CE1 3.89Å; P652-F732 HydrophobicContact CG-CE2 4.42Å; P652-F732 HydrophobicContact CG-CZ 3.67Å; P652-F732 WeakPolarHBondContact O-CE2 3.37Å
653P88.7Confident93.2Very high112 Ų11245.2 Ų45.273%0.72724%0.238SC*.SBendtrans-69.3-5.1-177.229.7-36.7000114.2S645S645-P653 VanDerWaalsContact O-CD 3.27Å; S645-P653 WeakPolarHBondContact O-CD 3.39Å
654N86.8Confident93Very high80 Ų8046.7 Ų46.743%0.42824%0.244SC..  trans-157.4118.7-178.1-173-8.8000111.3P652 K656 S657P652-N654 PolarHBondContact O-N 3.02Å; N654-K656 PolarHBondContact O-N 3.36Å; N654-K656 WeakPolarHBondContact OD1-CB 3.48Å; N654-K656 PolarHBondContact OD1-N 3.01Å; N654-S657 PolarHBondContact O-N 3.16Å
655T94.4Very high93.1Very high21 Ų2144.5 Ų44.513%0.12923%0.233CC..Hα-helixtrans-51.7-42.2173.652.40000112.2S657 L658 L659 F732 D739T655-S657 VanDerWaalsContact C-N 3.27Å; T655-S657 PolarHBondContact O-N 3.32Å; T655-L658 PolarHBondContact O-N 3.4Å; T655-L659 WeakPolarHBondContact O-CG 3.4Å; T655-L659 PolarHBondContact O-N 2.94Å; T655-F732 HydrophobicContact CG2-CD2 4.25Å; T655-F732 HydrophobicContact CG2-CE2 3.73Å; T655-F732 HydrophobicContact CG2-CZ 4.18Å; T655-D739 VanDerWaalsContact CB-OD2 3.28Å; T655-D739 WeakPolarHBondContact CB-OD2 3.45Å; T655-D739 PolarHBondContact OG1-OD2 2.82Å
656K93.8Very high93.1Very high136 Ų13645.4 Ų45.459%0.59124%0.235SC*.Hα-helixtrans-57.1-37.7-175.2-174.1-168.8169.6-164.40112.9N654 L659 E660N654-K656 PolarHBondContact O-N 3.36Å; N654-K656 WeakPolarHBondContact OD1-CB 3.48Å; N654-K656 PolarHBondContact OD1-N 3.01Å; K656-L659 PolarHBondContact O-N 3.01Å; K656-E660 PolarHBondContact O-N 3.38Å
657S94.3Very high93Very high12 Ų1252.9 Ų52.98%0.08427%0.268CS..Hα-helixtrans-71.6-44.3-176.3-161.60000111.2D619 N654 T655 L659 E660 F661D619-S657 VanDerWaalsContact CB-OG 3.31Å; D619-S657 WeakPolarHBondContact CB-OG 3.32Å; D619-S657 VanDerWaalsContact CG-OG 3.27Å; D619-S657 VanDerWaalsContact OD2-CB 3.29Å; D619-S657 WeakPolarHBondContact OD2-CB 3.5Å; D619-S657 PolarHBondContact OD2-OG 3.14Å; N654-S657 PolarHBondContact O-N 3.16Å; T655-S657 VanDerWaalsContact C-N 3.27Å; T655-S657 PolarHBondContact O-N 3.32Å; S657-L659 VanDerWaalsContact C-N 3.34Å; S657-L659 PolarHBondContact O-N 3.07Å; S657-E660 PolarHBondContact O-N 3.26Å; S657-F661 WeakPolarHBondContact O-CB 3.35Å; S657-F661 PolarHBondContact O-N 3.45Å
658L96.1Very high92.9Very high3 Ų351 Ų512%0.01626%0.256CS..Hα-helixtrans-64.5-37.4173.3-164.872.6000112Y643 W646 P652 T655 F661 R662 Y690 I693 F732Y643-L658 HydrophobicContact CD1-CD1 4.37Å; Y643-L658 HydrophobicContact CD2-CD1 3.95Å; Y643-L658 HydrophobicContact CE1-CD1 4.25Å; Y643-L658 HydrophobicContact CE2-CB 4.34Å; Y643-L658 HydrophobicContact CE2-CD1 3.83Å; Y643-L658 HydrophobicContact CG-CD1 4.22Å; Y643-L658 PolarHBondContact OH-N 2.88Å; W646-L658 HydrophobicContact CE3-CD1 3.99Å; W646-L658 HydrophobicContact CE3-CD2 4.36Å; W646-L658 HydrophobicContact CH2-CD2 4.04Å; W646-L658 HydrophobicContact CZ3-CD1 3.84Å; W646-L658 HydrophobicContact CZ3-CD2 3.66Å; W646-L658 HydrophobicContact CZ3-CG 4.43Å; P652-L658 HydrophobicContact CG-CD2 4.44Å; T655-L658 PolarHBondContact O-N 3.4Å; L658-F661 HydrophobicContact CD1-CD1 4.14Å; L658-F661 PolarHBondContact O-N 2.99Å; L658-R662 VanDerWaalsContact O-CB 3.25Å; L658-R662 WeakPolarHBondContact O-CB 3.19Å; L658-R662 PolarHBondContact O-N 3.5Å; L658-Y690 HydrophobicContact CD1-CD2 4.05Å; L658-Y690 HydrophobicContact CD1-CE2 4.36Å; L658-Y690 HydrophobicContact CD2-CD2 4.38Å; L658-Y690 HydrophobicContact CG-CD2 4.31Å; L658-I693 HydrophobicContact CD2-CD1 4.03Å; L658-F732 HydrophobicContact CD2-CE1 3.77Å; L658-F732 HydrophobicContact CD2-CZ 4.4Å
659L96.1Very high92.7Very high5 Ų558.2 Ų58.23%0.02628%0.283CS..Hα-helixtrans-67.5-36.6174.8-68.8173.9000112.7T655 K656 S657 R663 I693 L697 C736 D739 E740T655-L659 WeakPolarHBondContact O-CG 3.4Å; T655-L659 PolarHBondContact O-N 2.94Å; K656-L659 PolarHBondContact O-N 3.01Å; S657-L659 VanDerWaalsContact C-N 3.34Å; S657-L659 PolarHBondContact O-N 3.07Å; L659-R663 VanDerWaalsContact O-CG 3.23Å; L659-R663 WeakPolarHBondContact O-CG 3.44Å; L659-R663 PolarHBondContact O-N 2.91Å; L659-I693 HydrophobicContact CD2-CG2 4.38Å; L659-L697 HydrophobicContact CD2-CD1 3.86Å; L659-C736 HydrophobicContact CD2-CB 4.17Å; L659-D739 HydrophobicContact CD1-CB 3.86Å; L659-E740 HydrophobicContact CD1-CB 4.38Å; L659-E740 HydrophobicContact CD2-CB 4.25Å
660E94.4Very high92.7Very high77 Ų7753.9 Ų53.936%0.3626%0.26SS..Hα-helixtrans-68.1-45.6171.8-167.1-177.1147.200111.7Y620 K656 S657 R662 R663 K664Y620-E660 PolarHBondContact OH-OE1 3.01Å; K656-E660 PolarHBondContact O-N 3.38Å; S657-E660 PolarHBondContact O-N 3.26Å; E660-R662 PolarHBondContact O-N 3.06Å; E660-R663 WeakPolarHBondContact O-CB 3.44Å; E660-R663 PolarHBondContact O-N 3.37Å; E660-R663 VanDerWaalsContact O-N 3.09Å; E660-K664 PolarHBondContact O-N 3.26Å; E660-K664 VanDerWaalsContact OE1-CE 3.3Å; E660-K664 WeakPolarHBondContact OE1-CE 3.41Å; E660-K664 IonicContact OE1-NZ 3.42Å; E660-K664 PolarHBondContact OE1-NZ 3.37Å
661F96.3Very high92.2Very high0 Ų055.8 Ų55.80%027%0.271CS..Hα-helixtrans-53.8-50.7174.3174.6-101000111.3V578 L580 Y620 F641 Y643 S657 L658 R663 K664 V665 Y690V578-F661 HydrophobicContact CG1-CE1 3.76Å; V578-F661 HydrophobicContact CG1-CZ 3.9Å; L580-F661 HydrophobicContact CD2-CE1 4.04Å; Y620-F661 HydrophobicContact CD1-CB 4.01Å; Y620-F661 AromaticContact CD1-CD2 4Å; Y620-F661 HydrophobicContact CD1-CD2 4Å; Y620-F661 HydrophobicContact CD1-CG 4.44Å; Y620-F661 AromaticContact CD2-CD2 3.73Å; Y620-F661 HydrophobicContact CD2-CD2 3.73Å; Y620-F661 HydrophobicContact CD2-CE2 4.43Å; Y620-F661 HydrophobicContact CE1-CB 4.08Å; Y620-F661 HydrophobicContact CE2-CD2 4.39Å; Y620-F661 HydrophobicContact CG-CB 4.38Å; Y620-F661 AromaticContact CG-CD2 3.52Å; Y620-F661 HydrophobicContact CG-CD2 3.52Å; Y620-F661 HydrophobicContact CG-CE2 4.24Å; Y620-F661 HydrophobicContact CG-CG 4.39Å; F641-F661 HydrophobicContact CB-CE2 3.64Å; F641-F661 HydrophobicContact CB-CZ 3.66Å; F641-F661 HydrophobicContact CD1-CE2 4.48Å; Y643-F661 HydrophobicContact CD2-CB 4Å; Y643-F661 AromaticContact CD2-CD1 3.94Å; Y643-F661 HydrophobicContact CD2-CD1 3.94Å; Y643-F661 AromaticContact CD2-CD2 3.84Å; Y643-F661 HydrophobicContact CD2-CD2 3.84Å; Y643-F661 HydrophobicContact CD2-CE1 4.31Å; Y643-F661 HydrophobicContact CD2-CE2 4.18Å; Y643-F661 AromaticContact CD2-CG 3.69Å; Y643-F661 HydrophobicContact CD2-CG 3.69Å; Y643-F661 HydrophobicContact CD2-CZ 4.41Å; Y643-F661 HydrophobicContact CE2-CB 4.15Å; Y643-F661 HydrophobicContact CE2-CG 4.33Å; S657-F661 WeakPolarHBondContact O-CB 3.35Å; S657-F661 PolarHBondContact O-N 3.45Å; L658-F661 HydrophobicContact CD1-CD1 4.14Å; L658-F661 PolarHBondContact O-N 2.99Å; F661-R663 VanDerWaalsContact C-N 3.33Å; F661-R663 PolarHBondContact O-N 3.07Å; F661-K664 WeakPolarHBondContact O-CA 3.3Å; F661-K664 PolarHBondContact O-N 3.45Å; F661-V665 HydrophobicContact CD1-CG2 4.35Å; F661-V665 HydrophobicContact CE1-CG2 4.17Å; F661-V665 HydrophobicContact CZ-CG2 4.37Å; F661-V665 WeakPolarHBondContact O-CG2 3.22Å; F661-V665 PolarHBondContact O-N 3.15Å; F661-Y690 AromaticContact CD1-CE2 3.88Å; F661-Y690 HydrophobicContact CD1-CE2 3.88Å; F661-Y690 AromaticContact CE1-CE2 3.92Å; F661-Y690 HydrophobicContact CE1-CE2 3.92Å
662R96.6Very high91.2Very high10 Ų1062.7 Ų62.74%0.03830%0.3CS..Hα-helixtrans-54.1-45.1173.1-178.7-167.3169.5-101-14.8112.3L658 E660 K664 V665 N666 Y690 D694 L697 N698L658-R662 VanDerWaalsContact O-CB 3.25Å; L658-R662 WeakPolarHBondContact O-CB 3.19Å; L658-R662 PolarHBondContact O-N 3.5Å; E660-R662 PolarHBondContact O-N 3.06Å; R662-K664 VanDerWaalsContact C-N 3.27Å; R662-K664 PolarHBondContact O-N 3.42Å; R662-V665 PolarHBondContact O-N 3.11Å; R662-N666 PolarHBondContact NH2-ND2 3.36Å; R662-N666 PolarHBondContact O-N 3.43Å; R662-Y690 HydrophobicContact CB-CE2 4.28Å; R662-D694 IonicContact CZ-OD1 2.78Å; R662-D694 IonicContact NE-OD1 3.59Å; R662-D694 PolarHBondContact NE-OD1 3.23Å; R662-D694 IonicContact NH2-OD1 3.17Å; R662-D694 PolarHBondContact NH2-OD1 3.11Å; R662-L697 VanDerWaalsContact CZ-CB 3.41Å; R662-N698 PolarHBondContact NH2-OD1 2.87Å
663R94.5Very high90.5Very high88 Ų8868.4 Ų68.433%0.33233%0.327SS..Hα-helixtrans-65.6-25.3177-72.1173-167.1131.1-16.6113.2L659 E660 F661 K667 E740L659-R663 VanDerWaalsContact O-CG 3.23Å; L659-R663 WeakPolarHBondContact O-CG 3.44Å; L659-R663 PolarHBondContact O-N 2.91Å; E660-R663 WeakPolarHBondContact O-CB 3.44Å; E660-R663 PolarHBondContact O-N 3.37Å; E660-R663 VanDerWaalsContact O-N 3.09Å; F661-R663 VanDerWaalsContact C-N 3.33Å; F661-R663 PolarHBondContact O-N 3.07Å; R663-K667 WeakPolarHBondContact O-CB 3.32Å; R663-K667 WeakPolarHBondContact O-CD 3.44Å; R663-K667 VanDerWaalsContact O-CG 3.23Å; R663-K667 WeakPolarHBondContact O-CG 3.2Å; R663-E740 IonicContact CZ-OE1 2.66Å; R663-E740 IonicContact CZ-OE2 3.92Å; R663-E740 IonicContact NE-OE1 2.65Å; R663-E740 PolarHBondContact NE-OE1 3.26Å; R663-E740 IonicContact NE-OE2 3.65Å; R663-E740 PolarHBondContact NE-OE2 2.92Å; R663-E740 IonicContact NH1-OE2 3.04Å; R663-E740 IonicContact NH2-OE1 2.62Å; R663-E740 PolarHBondContact NH2-OE1 2.61Å; R663-E740 IonicContact NH2-OE2 2.73Å; R663-E740 PolarHBondContact NH2-OE2 2.67Å
664K94.8Very high90.6Very high32 Ų3263.2 Ų63.214%0.13929%0.293CS..Hα-helixtrans-78.4-44.4170.4-61.8-170.3-152.7-78.50111.3W616 Y620 F641 E660 F661 R662 N666 K667 S668W616-K664 HydrophobicContact CD2-CD 4.02Å; W616-K664 HydrophobicContact CE3-CD 4.34Å; W616-K664 VanDerWaalsContact CE3-NZ 3.3Å; W616-K664 HydrophobicContact CG-CD 4.45Å; W616-K664 HydrophobicContact CZ2-CD 4.19Å; Y620-K664 HydrophobicContact CE2-CD 3.97Å; Y620-K664 WeakPolarHBondContact OH-CE 3.44Å; F641-K664 HydrophobicContact CE1-CB 3.91Å; E660-K664 PolarHBondContact O-N 3.26Å; E660-K664 VanDerWaalsContact OE1-CE 3.3Å; E660-K664 WeakPolarHBondContact OE1-CE 3.41Å; E660-K664 IonicContact OE1-NZ 3.42Å; E660-K664 PolarHBondContact OE1-NZ 3.37Å; F661-K664 WeakPolarHBondContact O-CA 3.3Å; F661-K664 PolarHBondContact O-N 3.45Å; R662-K664 VanDerWaalsContact C-N 3.27Å; R662-K664 PolarHBondContact O-N 3.42Å; K664-N666 PolarHBondContact O-N 3.13Å; K664-K667 PolarHBondContact O-N 3.33Å; K664-K667 VanDerWaalsContact O-N 3.09Å; K664-S668 PolarHBondContact O-N 2.73Å; K664-S668 VanDerWaalsContact O-N 3.17Å
665V96.2Very high91Very high0 Ų059.5 Ų59.50%027%0.273CS..Hα-helixtrans-54.8-49.6174.9173.10000110.9V576 V578 F641 F661 R662 K667 S668 I676V576-V665 HydrophobicContact CG1-CG1 4.35Å; V578-V665 HydrophobicContact CG2-CG1 3.9Å; V578-V665 HydrophobicContact CG2-CG2 4.09Å; F641-V665 HydrophobicContact CB-CG2 3.79Å; F641-V665 HydrophobicContact CD1-CG2 3.66Å; F641-V665 HydrophobicContact CD2-CG2 3.93Å; F641-V665 HydrophobicContact CE1-CG2 4.23Å; F641-V665 HydrophobicContact CE2-CG2 4.45Å; F641-V665 HydrophobicContact CG-CG2 3.52Å; F661-V665 HydrophobicContact CD1-CG2 4.35Å; F661-V665 HydrophobicContact CE1-CG2 4.17Å; F661-V665 HydrophobicContact CZ-CG2 4.37Å; F661-V665 WeakPolarHBondContact O-CG2 3.22Å; F661-V665 PolarHBondContact O-N 3.15Å; R662-V665 PolarHBondContact O-N 3.11Å; V665-K667 PolarHBondContact O-N 3Å; V665-S668 VanDerWaalsContact O-CB 3.29Å; V665-S668 WeakPolarHBondContact O-CB 3.33Å; V665-S668 PolarHBondContact O-N 3.01Å; V665-S668 VanDerWaalsContact O-N 3.07Å; V665-S668 PolarHBondContact O-OG 3.43Å; V665-I676 HydrophobicContact CG1-CD1 4.11Å
666N93.3Very high91.2Very high51 Ų5158.6 Ų58.627%0.27327%0.268SS..THydrogen-bonded Turntrans-74.3-6-180-75.3-24.1000115.2R662 K664 D694R662-N666 PolarHBondContact NH2-ND2 3.36Å; R662-N666 PolarHBondContact O-N 3.43Å; K664-N666 PolarHBondContact O-N 3.13Å; N666-D694 PolarHBondContact ND2-OD1 3.32Å
667K92.8Very high91.4Very high160 Ų16052.1 Ų52.170%0.69624%0.239SC*.THydrogen-bonded Turntrans-100.4-2.9169.4-74.1179.4-180-173.10113R663 K664 V665R663-K667 WeakPolarHBondContact O-CB 3.32Å; R663-K667 WeakPolarHBondContact O-CD 3.44Å; R663-K667 VanDerWaalsContact O-CG 3.23Å; R663-K667 WeakPolarHBondContact O-CG 3.2Å; K664-K667 PolarHBondContact O-N 3.33Å; K664-K667 VanDerWaalsContact O-N 3.09Å; V665-K667 PolarHBondContact O-N 3Å
668S90.3Very high91.6Very high23 Ų2351.6 Ų51.616%0.16124%0.235CC..SBendtrans-69.9154.1178.269.90000112V576 K664 V665 R670V576-S668 VanDerWaalsContact CG2-OG 3.31Å; V576-S668 WeakPolarHBondContact CG2-OG 3.43Å; K664-S668 PolarHBondContact O-N 2.73Å; K664-S668 VanDerWaalsContact O-N 3.17Å; V665-S668 VanDerWaalsContact O-CB 3.29Å; V665-S668 WeakPolarHBondContact O-CB 3.33Å; V665-S668 PolarHBondContact O-N 3.01Å; V665-S668 VanDerWaalsContact O-N 3.07Å; V665-S668 PolarHBondContact O-OG 3.43Å; S668-R670 PolarHBondContact O-N 3.01Å
669Y82.6Confident91.7Very high185 Ų18551.4 Ų51.473%0.72524%0.235SC*.  trans-71.1117178.1179.8-90.8000110.8L575L575-Y669 HydrophobicContact CD1-CD1 3.91Å; L575-Y669 HydrophobicContact CD1-CE1 3.78Å
670R85.6Confident91.7Very high71 Ų7151.2 Ų51.227%0.26823%0.233SC..  trans-149.7154.216965-176.4-172.793.8-7.9110.6V576 S668 S674V576-R670 HydrophobicContact CG2-CB 4.04Å; S668-R670 PolarHBondContact O-N 3.01Å; R670-S674 PolarHBondContact NH1-O 3.33Å
671S79.5Confident91.9Very high57 Ų5748 Ų4840%0.39922%0.22SC..  trans-72.1158.9165.369.90000110Q673 S674S671-Q673 PolarHBondContact O-N 3.16Å; S671-S674 PolarHBondContact O-N 2.91Å; S671-S674 VanDerWaalsContact OG-CB 3.26Å; S671-S674 WeakPolarHBondContact OG-CB 3.38Å; S671-S674 PolarHBondContact OG-N 3.45Å
672Q73.5Confident91.8Very high191 Ų19148.6 Ų48.689%0.89322%0.223SC*.THydrogen-bonded Turntrans-64.5-21.5175.6-70.6-178.3-18.400112.9
673Q79.4Confident91.8Very high123 Ų12348.1 Ų48.158%0.57522%0.221SC*.THydrogen-bonded Turntrans-98.3-2.3-179.8-65.5171.3-40.400113.1Y548 S671 P675Y548-Q673 HydrophobicContact CD1-CB 4.39Å; Y548-Q673 HydrophobicContact CD1-CG 3.88Å; Y548-Q673 HydrophobicContact CE1-CG 3.93Å; Y548-Q673 VanDerWaalsContact CE1-NE2 3.29Å; Y548-Q673 HydrophobicContact CG-CG 4.49Å; Y548-Q673 PolarHBondContact OH-NE2 3.05Å; S671-Q673 PolarHBondContact O-N 3.16Å; Q673-P675 VanDerWaalsContact O-CD 3.31Å; Q673-P675 WeakPolarHBondContact O-CD 3.46Å
674S91.3Very high91.9Very high2 Ų244 Ų441%0.01421%0.205CC..  trans-85.8111173.2160.10000109G573 L575 R670 S671G573-S674 PolarHBondContact O-OG 3.26Å; L575-S674 PolarHBondContact N-OG 3.24Å; R670-S674 PolarHBondContact NH1-O 3.33Å; S671-S674 PolarHBondContact O-N 2.91Å; S671-S674 VanDerWaalsContact OG-CB 3.26Å; S671-S674 WeakPolarHBondContact OG-CB 3.38Å; S671-S674 PolarHBondContact OG-N 3.45Å
675P96Very high91.9Very high3 Ų342.5 Ų42.52%0.01920%0.199CC..PPolyproline II helixtrans-65.5149.3170.925.8-30.3000110.6V550 V552 Q572 S574 Q673V550-P675 WeakPolarHBondContact O-CA 3.49Å; V552-P675 HydrophobicContact CG2-CB 4.03Å; V552-P675 HydrophobicContact CG2-CG 4.06Å; Q572-P675 HydrophobicContact CB-CG 4.2Å; Q572-P675 WeakPolarHBondContact O-CD 3.49Å; S574-P675 WeakPolarHBondContact CB-O 3.48Å; S574-P675 PolarHBondContact OG-O 3.01Å; Q673-P675 VanDerWaalsContact O-CD 3.31Å; Q673-P675 WeakPolarHBondContact O-CD 3.46Å
676I97.5Very high92Very high2 Ų242.6 Ų42.61%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-84.9122.2169.2-55.3175.7000107.8V550 Y551 V552 V576 V578 V665 I678V550-I676 PolarHBondContact O-N 3.18Å; Y551-I676 CarbonylContact C-O 3.59Å; Y551-I676 WeakPolarHBondContact CA-O 3.48Å; Y551-I676 HydrophobicContact CD1-CB 4.39Å; V552-I676 PolarHBondContact N-O 3.25Å; V576-I676 HydrophobicContact CB-CG1 4.4Å; V576-I676 HydrophobicContact CB-CG2 4.18Å; V576-I676 HydrophobicContact CG1-CG2 3.94Å; V578-I676 HydrophobicContact CG2-CG2 3.68Å; V665-I676 HydrophobicContact CG1-CD1 4.11Å; I676-I678 HydrophobicContact CB-CG1 4.41Å; I676-I678 HydrophobicContact CG2-CD1 4.23Å; I676-I678 HydrophobicContact CG2-CG1 3.81Å
677I98.4Very high92.2Very high0 Ų040.1 Ų40.10%019%0.187CC..EExtended strand (participates in β ladder)trans-78.1128.8172.2-71.3162.7000108.1V552 F565 M568 V569 V576 I577 V578V552-I677 HydrophobicContact CB-CG1 4.01Å; V552-I677 HydrophobicContact CG1-CG1 4.39Å; V552-I677 WeakPolarHBondContact O-CA 2.84Å; F565-I677 HydrophobicContact CE2-CG2 3.83Å; F565-I677 HydrophobicContact CZ-CG2 3.86Å; M568-I677 HydrophobicContact CE-CD1 4.23Å; M568-I677 HydrophobicContact CE-CG1 4.48Å; M568-I677 HydrophobicContact CE-CG2 4.16Å; M568-I677 HydrophobicContact CG-CD1 4.38Å; V569-I677 HydrophobicContact CB-CD1 4.16Å; V569-I677 HydrophobicContact CG2-CD1 3.54Å; V576-I677 PolarHBondContact O-N 3.05Å; I577-I677 CarbonylContact C-O 3.57Å; I577-I677 WeakPolarHBondContact CA-O 3.33Å; I577-I677 HydrophobicContact CG1-CB 4.43Å; I577-I677 HydrophobicContact CG2-CG2 4.43Å; V578-I677 PolarHBondContact N-O 2.99Å
678I98.5Very high92.4Very high0 Ų032.5 Ų32.50%015%0.153CC..EExtended strand (participates in β ladder)trans-131.8125-176-54.2170.5000107.7Y551 V552 A553 A554 V578 L580 I676 T687 Y690 I691Y551-I678 HydrophobicContact CD1-CD1 3.64Å; Y551-I678 HydrophobicContact CE1-CD1 4.47Å; Y551-I678 HydrophobicContact CG-CD1 4.05Å; V552-I678 PolarHBondContact O-N 3.36Å; A553-I678 WeakPolarHBondContact CA-O 3.35Å; A554-I678 PolarHBondContact N-O 2.69Å; V578-I678 HydrophobicContact CB-CB 4.38Å; V578-I678 HydrophobicContact CB-CG1 4.04Å; V578-I678 HydrophobicContact CB-CG2 4.22Å; V578-I678 HydrophobicContact CG1-CG2 4.26Å; V578-I678 HydrophobicContact CG2-CG1 4.27Å; V578-I678 WeakPolarHBondContact O-CA 3.38Å; L580-I678 HydrophobicContact CD1-CG2 3.91Å; I676-I678 HydrophobicContact CB-CG1 4.41Å; I676-I678 HydrophobicContact CG2-CD1 4.23Å; I676-I678 HydrophobicContact CG2-CG1 3.81Å; I678-T687 HydrophobicContact CB-CG2 4.25Å; I678-T687 HydrophobicContact CG2-CG2 3.93Å; I678-Y690 HydrophobicContact CD1-CD1 3.93Å; I678-Y690 HydrophobicContact CD1-CE1 3.99Å; I678-Y690 HydrophobicContact CG2-CD1 4.04Å; I678-I691 HydrophobicContact CB-CD1 4.32Å; I678-I691 HydrophobicContact CD1-CD1 3.96Å; I678-I691 HydrophobicContact CD1-CG1 3.48Å; I678-I691 VanDerWaalsContact CD1-CG1 3.48Å; I678-I691 HydrophobicContact CG2-CG1 4.48Å
679H98.4Very high92.8Very high0 Ų031.4 Ų31.40%015%0.146CC..EExtended strand (participates in β ladder)trans-141158.9-179.581.489.8000113.2A554 V578 N579 L580 Y594 T687A554-H679 HydrophobicContact CB-CB 4.34Å; A554-H679 VanDerWaalsContact O-CA 3.29Å; A554-H679 WeakPolarHBondContact O-CA 3.48Å; A554-H679 WeakPolarHBondContact O-CB 3.37Å; V578-H679 PolarHBondContact O-N 3.23Å; N579-H679 VanDerWaalsContact CB-NE2 3.33Å; N579-H679 WeakPolarHBondContact CB-NE2 3.41Å; N579-H679 PolarHBondContact OD1-CE1 3.48Å; N579-H679 PolarHBondContact OD1-NE2 3.1Å; L580-H679 PolarHBondContact N-O 3.31Å; Y594-H679 AromaticContact CE1-CE1 3.73Å; Y594-H679 AromaticContact CE1-NE2 3.44Å; Y594-H679 WeakPolarHBondContact CE1-NE2 3.3Å; Y594-H679 AromaticContact CZ-NE2 3.49Å; Y594-H679 PolarHBondContact OH-NE2 2.98Å; H679-T687 WeakPolarHBondContact CA-OG1 3.44Å
680C96.8Very high93.5Very high0 Ų022.8 Ų22.80%011%0.112CC..  trans-132-126.7167490000108.6G556 L580 T581 D682 G683 R686 T687G556-C680 WeakPolarHBondContact CA-O 3.31Å; G556-C680 PolarHBondContact N-O 2.63Å; G556-C680 VanDerWaalsContact N-O 3.09Å; L580-C680 HydrophobicContact CB-CB 4.25Å; T581-C680 VanDerWaalsContact CG2-C 3.41Å; T581-C680 VanDerWaalsContact CG2-O 3.3Å; T581-C680 WeakPolarHBondContact CG2-O 3.35Å; C680-D682 PolarHBondContact SG-OD1 3.03Å; C680-G683 PolarHBondContact SG-N 2.96Å; C680-G683 VanDerWaalsContact SG-N 3.39Å; C680-R686 HydrophobicContact CB-CB 3.79Å; C680-R686 HydrophobicContact CB-CG 4.42Å; C680-T687 PolarHBondContact N-OG1 3.07Å; C680-T687 PolarHBondContact SG-N 3.25Å; C680-T687 PolarHBondContact SG-OG1 3.41Å
681S96.8Very high94.1Very high11 Ų1119.4 Ų19.48%0.07710%0.099CC..SBendtrans-86.1-67.3170-176.20000110E555 G556E555-S681 WeakPolarHBondContact CA-O 3.35Å; E555-S681 WeakPolarHBondContact CB-O 3.26Å; G556-S681 PolarHBondContact N-O 3.24Å
682D95.6Very high95Very high12 Ų1216.7 Ų16.76%0.0648%0.08CC..SBendtrans-73.9-28.717744.773.9000115.8V514 C680 A684 G685 R720 H725V514-D682 HydrophobicContact CB-CB 4.35Å; V514-D682 HydrophobicContact CG2-CB 4.03Å; C680-D682 PolarHBondContact SG-OD1 3.03Å; D682-A684 PolarHBondContact OD1-N 2.68Å; D682-G685 PolarHBondContact OD1-N 2.96Å; D682-R720 PolarHBondContact O-NH2 2.98Å; D682-H725 VanDerWaalsContact CG-CE1 3.41Å; D682-H725 IonicContact OD1-CE1 2.71Å; D682-H725 IonicContact OD1-NE2 3.48Å; D682-H725 IonicContact OD2-CE1 3.13Å
683G96.3Very high96.1Very high0 Ų07.7 Ų7.70%04%0.038CC..SBendtrans77.918.5-172.700000115.6A554 C680 T687 R720A554-G683 WeakPolarHBondContact O-CA 3.47Å; C680-G683 PolarHBondContact SG-N 2.96Å; C680-G683 VanDerWaalsContact SG-N 3.39Å; G683-T687 WeakPolarHBondContact O-CG2 3.37Å; G683-R720 WeakPolarHBondContact O-CD 3.49Å; G683-R720 PolarHBondContact O-NE 2.9Å
684A95.6Very high96.9Very high0 Ų01.9 Ų1.90%01%0.011CC..SBendtrans-132.7-41.217800000114.6V514 D682 G688 C722 M723 V724V514-A684 HydrophobicContact CB-CB 4.46Å; V514-A684 HydrophobicContact CG1-CB 3.54Å; V514-A684 HydrophobicContact CG2-CB 4.17Å; D682-A684 PolarHBondContact OD1-N 2.68Å; A684-G688 WeakPolarHBondContact O-CA 3.23Å; A684-G688 PolarHBondContact O-N 2.97Å; A684-C722 HydrophobicContact CB-CB 4.42Å; A684-M723 HydrophobicContact CB-SD 4.25Å; A684-M723 WeakPolarHBondContact O-CA 3.48Å; A684-V724 PolarHBondContact O-N 3.46Å
685G95.5Very high97.1Very high1 Ų11.8 Ų1.81%0.011%0.01CC..Hα-helixtrans-69.1-80.8-17600000112.2D682 T687 G688 T689 H725 Q729D682-G685 PolarHBondContact OD1-N 2.96Å; G685-T687 VanDerWaalsContact C-N 3.3Å; G685-T687 PolarHBondContact O-N 3.42Å; G685-G688 PolarHBondContact O-N 3.47Å; G685-T689 WeakPolarHBondContact O-CB 3.47Å; G685-T689 PolarHBondContact O-N 3.15Å; G685-T689 PolarHBondContact O-OG1 3.18Å; G685-H725 WeakPolarHBondContact CA-CD2 3.41Å; G685-H725 PolarHBondContact N-CD2 2.62Å; G685-H725 VanDerWaalsContact N-CD2 3.35Å; G685-H725 PolarHBondContact N-NE2 3.14Å; G685-Q729 PolarHBondContact O-OE1 3.02Å
686R97.6Very high97.1Very high2 Ų21.6 Ų1.61%0.0081%0.009CC..Hα-helixtrans-61.9-39.1177-57.4-178.8-103.7-173.3-8.8111.5L580 T581 E585 W646 C680 T689 Y690L580-R686 HydrophobicContact CB-CB 4.17Å; L580-R686 HydrophobicContact CD1-CB 4.35Å; L580-R686 WeakPolarHBondContact CD1-O 3.48Å; L580-R686 PolarHBondContact O-NH1 2.83Å; T581-R686 PolarHBondContact OG1-NH1 2.99Å; T581-R686 PolarHBondContact OG1-NH2 2.85Å; E585-R686 VanDerWaalsContact CD-NH1 3.29Å; E585-R686 IonicContact OE1-CZ 3.1Å; E585-R686 IonicContact OE1-NH1 3.19Å; E585-R686 PolarHBondContact OE1-NH1 3.26Å; E585-R686 IonicContact OE1-NH2 2.81Å; E585-R686 IonicContact OE2-CZ 3.41Å; E585-R686 VanDerWaalsContact OE2-CZ 3.23Å; E585-R686 IonicContact OE2-NH1 2.86Å; E585-R686 PolarHBondContact OE2-NH1 2.61Å; E585-R686 IonicContact OE2-NH2 3.84Å; E585-R686 PolarHBondContact OE2-NH2 2.82Å; W646-R686 HydrophobicContact CD2-CB 4.07Å; W646-R686 HydrophobicContact CD2-CG 4Å; W646-R686 HydrophobicContact CE3-CB 4.35Å; W646-R686 HydrophobicContact CG-CG 4.13Å; W646-R686 HydrophobicContact CH2-CB 4.34Å; W646-R686 WeakPolarHBondContact CH2-O 3.37Å; W646-R686 HydrophobicContact CZ2-CB 4.04Å; W646-R686 HydrophobicContact CZ2-CG 4.23Å; W646-R686 HydrophobicContact CZ3-CB 4.48Å; W646-R686 PolarHBondContact O-NH1 2.75Å; C680-R686 HydrophobicContact CB-CB 3.79Å; C680-R686 HydrophobicContact CB-CG 4.42Å; R686-T689 PolarHBondContact O-N 3.15Å; R686-Y690 WeakPolarHBondContact O-CB 3.39Å; R686-Y690 PolarHBondContact O-N 2.95Å
687T98.1Very high96.9Very high0 Ų01.5 Ų1.50%01%0.009CC..Hα-helixtrans-61.4-51.2176.7-680000112.7A553 I678 H679 C680 G683 G685 T689 Y690 I691A553-T687 HydrophobicContact CB-CG2 3.7Å; I678-T687 HydrophobicContact CB-CG2 4.25Å; I678-T687 HydrophobicContact CG2-CG2 3.93Å; H679-T687 WeakPolarHBondContact CA-OG1 3.44Å; C680-T687 PolarHBondContact N-OG1 3.07Å; C680-T687 PolarHBondContact SG-N 3.25Å; C680-T687 PolarHBondContact SG-OG1 3.41Å; G683-T687 WeakPolarHBondContact O-CG2 3.37Å; G685-T687 VanDerWaalsContact C-N 3.3Å; G685-T687 PolarHBondContact O-N 3.42Å; T687-T689 VanDerWaalsContact C-N 3.34Å; T687-T689 PolarHBondContact O-N 3.24Å; T687-Y690 PolarHBondContact O-N 3.44Å; T687-I691 HydrophobicContact CG2-CD1 3.77Å; T687-I691 WeakPolarHBondContact O-CB 3.36Å; T687-I691 WeakPolarHBondContact O-CG1 3.09Å; T687-I691 PolarHBondContact O-N 3.42Å
688G97.6Very high96.6Very high0 Ų03.2 Ų3.20%02%0.018CC..Hα-helixtrans-65.3-38.2178.200000112.3A684 G685 I691 L692A684-G688 WeakPolarHBondContact O-CA 3.23Å; A684-G688 PolarHBondContact O-N 2.97Å; G685-G688 PolarHBondContact O-N 3.47Å; G688-I691 PolarHBondContact O-N 2.88Å; G688-L692 VanDerWaalsContact O-CB 3.31Å; G688-L692 WeakPolarHBondContact O-CB 3.45Å; G688-L692 PolarHBondContact O-N 2.66Å
689T97.8Very high96.2Very high0 Ų05.5 Ų5.50%03%0.026CC..Hα-helixtrans-60.3-47.6175.3-52.90000111.5W646 G685 R686 T687 L692 I693 Q729 F732 V733W646-T689 HydrophobicContact CH2-CG2 3.75Å; W646-T689 HydrophobicContact CZ2-CG2 3.69Å; G685-T689 WeakPolarHBondContact O-CB 3.47Å; G685-T689 PolarHBondContact O-N 3.15Å; G685-T689 PolarHBondContact O-OG1 3.18Å; R686-T689 PolarHBondContact O-N 3.15Å; T687-T689 VanDerWaalsContact C-N 3.34Å; T687-T689 PolarHBondContact O-N 3.24Å; T689-L692 PolarHBondContact O-N 2.93Å; T689-I693 HydrophobicContact CG2-CD1 4.27Å; T689-I693 WeakPolarHBondContact O-CD1 3.23Å; T689-I693 VanDerWaalsContact O-CG1 3.31Å; T689-I693 WeakPolarHBondContact O-CG1 3.24Å; T689-I693 PolarHBondContact O-N 2.85Å; T689-I693 VanDerWaalsContact O-N 3.12Å; T689-Q729 HydrophobicContact CG2-CB 4.23Å; T689-Q729 PolarHBondContact OG1-OE1 2.85Å; T689-F732 HydrophobicContact CG2-CD1 4.5Å; T689-V733 HydrophobicContact CG2-CG2 3.72Å
690Y98.3Very high95.8Very high3 Ų35.5 Ų5.51%0.0123%0.027CC..Hα-helixtrans-65.1-43.3176.6-178.5-90000112.6V578 L580 L658 F661 R662 I678 R686 T687 I693 D694V578-Y690 HydrophobicContact CG1-CE1 4.25Å; L580-Y690 HydrophobicContact CD1-CG 4.03Å; L580-Y690 HydrophobicContact CD2-CD2 4.2Å; L580-Y690 HydrophobicContact CD2-CG 4.41Å; L658-Y690 HydrophobicContact CD1-CD2 4.05Å; L658-Y690 HydrophobicContact CD1-CE2 4.36Å; L658-Y690 HydrophobicContact CD2-CD2 4.38Å; L658-Y690 HydrophobicContact CG-CD2 4.31Å; F661-Y690 AromaticContact CD1-CE2 3.88Å; F661-Y690 HydrophobicContact CD1-CE2 3.88Å; F661-Y690 AromaticContact CE1-CE2 3.92Å; F661-Y690 HydrophobicContact CE1-CE2 3.92Å; R662-Y690 HydrophobicContact CB-CE2 4.28Å; I678-Y690 HydrophobicContact CD1-CD1 3.93Å; I678-Y690 HydrophobicContact CD1-CE1 3.99Å; I678-Y690 HydrophobicContact CG2-CD1 4.04Å; R686-Y690 WeakPolarHBondContact O-CB 3.39Å; R686-Y690 PolarHBondContact O-N 2.95Å; T687-Y690 PolarHBondContact O-N 3.44Å; Y690-I693 PolarHBondContact O-N 3.31Å; Y690-D694 PolarHBondContact O-N 3.05Å
691I98.1Very high95.4Very high0 Ų07.7 Ų7.70%04%0.038CC..Hα-helixtrans-63.6-40.9178-74.6170.6000111.4I541 Y551 A553 I678 T687 G688 D694 M695 L716 M723I541-I691 HydrophobicContact CG1-CD1 4.47Å; I541-I691 HydrophobicContact CG2-CG2 4.26Å; Y551-I691 HydrophobicContact CD2-CG1 4.39Å; Y551-I691 HydrophobicContact CD2-CG2 3.82Å; Y551-I691 HydrophobicContact CE2-CG2 3.9Å; Y551-I691 HydrophobicContact CG-CD1 4.43Å; Y551-I691 HydrophobicContact CG-CG1 4.23Å; Y551-I691 HydrophobicContact CG-CG2 4.48Å; A553-I691 HydrophobicContact CB-CD1 3.98Å; I678-I691 HydrophobicContact CB-CD1 4.32Å; I678-I691 HydrophobicContact CD1-CD1 3.96Å; I678-I691 HydrophobicContact CD1-CG1 3.48Å; I678-I691 VanDerWaalsContact CD1-CG1 3.48Å; I678-I691 HydrophobicContact CG2-CG1 4.48Å; T687-I691 HydrophobicContact CG2-CD1 3.77Å; T687-I691 WeakPolarHBondContact O-CB 3.36Å; T687-I691 WeakPolarHBondContact O-CG1 3.09Å; T687-I691 PolarHBondContact O-N 3.42Å; G688-I691 PolarHBondContact O-N 2.88Å; I691-D694 PolarHBondContact O-N 2.65Å; I691-M695 HydrophobicContact CG2-CE 4.46Å; I691-M695 VanDerWaalsContact O-CB 3.22Å; I691-M695 WeakPolarHBondContact O-CB 3.35Å; I691-M695 PolarHBondContact O-N 3.45Å; I691-L716 HydrophobicContact CG2-CD1 4.05Å; I691-L716 HydrophobicContact CG2-CD2 3.58Å; I691-M723 HydrophobicContact CD1-CE 4.08Å
692L97.8Very high94.9Very high0 Ų012.5 Ų12.50%06%0.058CC..Hα-helixtrans-65-45.9178.2-173.959.2000111.2G688 T689 D694 M695 V696 I709 L713 L716 V724 F730 V733G688-L692 VanDerWaalsContact O-CB 3.31Å; G688-L692 WeakPolarHBondContact O-CB 3.45Å; G688-L692 PolarHBondContact O-N 2.66Å; T689-L692 PolarHBondContact O-N 2.93Å; L692-D694 VanDerWaalsContact C-N 3.32Å; L692-D694 PolarHBondContact O-N 2.93Å; L692-M695 PolarHBondContact O-N 2.93Å; L692-V696 HydrophobicContact CD1-CG2 4.09Å; L692-V696 HydrophobicContact CG-CG2 4.48Å; L692-V696 VanDerWaalsContact O-CB 3.27Å; L692-V696 WeakPolarHBondContact O-CB 3.43Å; L692-V696 VanDerWaalsContact O-CG2 3.27Å; L692-V696 WeakPolarHBondContact O-CG2 3.49Å; L692-V696 PolarHBondContact O-N 3.11Å; L692-I709 HydrophobicContact CD2-CG2 4.09Å; L692-I709 HydrophobicContact CG-CG2 4.42Å; L692-L713 HydrophobicContact CD2-CB 4.04Å; L692-L713 HydrophobicContact CD2-CD1 4.27Å; L692-L716 HydrophobicContact CB-CD1 3.75Å; L692-L716 HydrophobicContact CD1-CD1 3.96Å; L692-L716 HydrophobicContact CG-CD1 4.37Å; L692-V724 HydrophobicContact CD2-CG2 4.26Å; L692-F730 HydrophobicContact CD2-CD2 4.44Å; L692-F730 HydrophobicContact CD2-CE2 4.42Å; L692-V733 HydrophobicContact CB-CG2 4.47Å; L692-V733 HydrophobicContact CD2-CB 4.48Å; L692-V733 HydrophobicContact CD2-CG1 3.93Å; L692-V733 HydrophobicContact CD2-CG2 4.07Å; L692-V733 HydrophobicContact CG-CG1 3.91Å; L692-V733 HydrophobicContact CG-CG2 4.48Å
693I97.3Very high94.2Very high2 Ų213.2 Ų13.21%0.017%0.068CC..Hα-helixtrans-56.2-47.1172.9-68.4164.4000110.5L658 L659 T689 Y690 L697 F732 V733 C736L658-I693 HydrophobicContact CD2-CD1 4.03Å; L659-I693 HydrophobicContact CD2-CG2 4.38Å; T689-I693 HydrophobicContact CG2-CD1 4.27Å; T689-I693 WeakPolarHBondContact O-CD1 3.23Å; T689-I693 VanDerWaalsContact O-CG1 3.31Å; T689-I693 WeakPolarHBondContact O-CG1 3.24Å; T689-I693 PolarHBondContact O-N 2.85Å; T689-I693 VanDerWaalsContact O-N 3.12Å; Y690-I693 PolarHBondContact O-N 3.31Å; I693-L697 HydrophobicContact CG2-CD1 3.69Å; I693-L697 VanDerWaalsContact O-CB 3.32Å; I693-L697 WeakPolarHBondContact O-CB 3.47Å; I693-L697 VanDerWaalsContact O-CG 3.24Å; I693-L697 WeakPolarHBondContact O-CG 3.3Å; I693-L697 PolarHBondContact O-N 2.92Å; I693-F732 HydrophobicContact CD1-CD1 4.29Å; I693-F732 HydrophobicContact CD1-CE1 4.29Å; I693-V733 HydrophobicContact CD1-CG2 4.31Å; I693-V733 HydrophobicContact CG1-CB 4.11Å; I693-V733 HydrophobicContact CG1-CG1 3.96Å; I693-V733 HydrophobicContact CG1-CG2 3.94Å; I693-C736 HydrophobicContact CD1-CB 3.85Å; I693-C736 HydrophobicContact CG1-CB 4.08Å; I693-C736 HydrophobicContact CG2-CB 4.16Å
694D96.7Very high93.6Very high1 Ų116.1 Ų16.11%0.0059%0.085CC..Hα-helixtrans-68.7-45-177.9-166.446000113.1Y551 R662 N666 Y690 I691 L692 L697 N698Y551-D694 WeakPolarHBondContact CE1-OD2 3.08Å; Y551-D694 PolarHBondContact OH-OD2 3.17Å; R662-D694 IonicContact CZ-OD1 2.78Å; R662-D694 IonicContact NE-OD1 3.59Å; R662-D694 PolarHBondContact NE-OD1 3.23Å; R662-D694 IonicContact NH2-OD1 3.17Å; R662-D694 PolarHBondContact NH2-OD1 3.11Å; N666-D694 PolarHBondContact ND2-OD1 3.32Å; Y690-D694 PolarHBondContact O-N 3.05Å; I691-D694 PolarHBondContact O-N 2.65Å; L692-D694 VanDerWaalsContact C-N 3.32Å; L692-D694 PolarHBondContact O-N 2.93Å; D694-L697 PolarHBondContact O-N 3.49Å; D694-N698 WeakPolarHBondContact O-CB 3.32Å; D694-N698 PolarHBondContact O-N 3.24Å; D694-N698 PolarHBondContact O-ND2 3.22Å; D694-N698 VanDerWaalsContact O-ND2 3.09Å; D694-N698 PolarHBondContact OD1-ND2 3.34Å; D694-N698 PolarHBondContact OD2-ND2 3.29Å
695M95Very high92.6Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-59.8-49.1177.8-174.6-178.3-68.900111.4I541 D543 Y551 I691 L692 N698 R699 L716I541-M695 HydrophobicContact CG2-CE 4.25Å; D543-M695 HydrophobicContact CB-CE 4.25Å; D543-M695 HydrophobicContact CB-CG 4.43Å; Y551-M695 HydrophobicContact CE2-CE 4.12Å; I691-M695 HydrophobicContact CG2-CE 4.46Å; I691-M695 VanDerWaalsContact O-CB 3.22Å; I691-M695 WeakPolarHBondContact O-CB 3.35Å; I691-M695 PolarHBondContact O-N 3.45Å; L692-M695 PolarHBondContact O-N 2.93Å; M695-N698 PolarHBondContact O-N 3.21Å; M695-R699 WeakPolarHBondContact O-CB 3.3Å; M695-R699 VanDerWaalsContact O-CG 3.28Å; M695-R699 WeakPolarHBondContact O-CG 3.43Å; M695-R699 PolarHBondContact O-N 3.4Å; M695-R699 PolarHBondContact SD-NH2 2.92Å; M695-R699 VanDerWaalsContact SD-NH2 3.44Å; M695-L716 HydrophobicContact CE-CD2 3.68Å
696V95Very high91.6Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-59.5-50.3177.61630000111.3L692 N698 R699 I700 L707 I709 V737L692-V696 HydrophobicContact CD1-CG2 4.09Å; L692-V696 HydrophobicContact CG-CG2 4.48Å; L692-V696 VanDerWaalsContact O-CB 3.27Å; L692-V696 WeakPolarHBondContact O-CB 3.43Å; L692-V696 VanDerWaalsContact O-CG2 3.27Å; L692-V696 WeakPolarHBondContact O-CG2 3.49Å; L692-V696 PolarHBondContact O-N 3.11Å; V696-N698 VanDerWaalsContact C-N 3.31Å; V696-N698 PolarHBondContact O-N 3.06Å; V696-R699 WeakPolarHBondContact O-CB 3.44Å; V696-R699 PolarHBondContact O-N 3.02Å; V696-R699 VanDerWaalsContact O-N 3.17Å; V696-I700 HydrophobicContact CG1-CD1 3.79Å; V696-I700 WeakPolarHBondContact O-CG1 3.49Å; V696-I700 PolarHBondContact O-N 3.17Å; V696-L707 HydrophobicContact CB-CD1 4.45Å; V696-L707 HydrophobicContact CG1-CD1 3.8Å; V696-L707 HydrophobicContact CG1-CD2 3.79Å; V696-L707 HydrophobicContact CG1-CG 4.34Å; V696-L707 HydrophobicContact CG2-CD1 4.36Å; V696-I709 HydrophobicContact CG1-CD1 4.38Å; V696-I709 HydrophobicContact CG1-CG1 4.45Å; V696-I709 HydrophobicContact CG2-CG1 4.06Å; V696-V737 HydrophobicContact CB-CG2 4.22Å; V696-V737 HydrophobicContact CG1-CB 4.28Å; V696-V737 HydrophobicContact CG1-CG1 3.66Å; V696-V737 HydrophobicContact CG1-CG2 3.51Å
697L93.9Very high90.9Very high0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-69.4-29.2-178.8-68.2174.4000112.7L659 R662 I693 D694 I700 N701 V737 E740L659-L697 HydrophobicContact CD2-CD1 3.86Å; R662-L697 VanDerWaalsContact CZ-CB 3.41Å; I693-L697 HydrophobicContact CG2-CD1 3.69Å; I693-L697 VanDerWaalsContact O-CB 3.32Å; I693-L697 WeakPolarHBondContact O-CB 3.47Å; I693-L697 VanDerWaalsContact O-CG 3.24Å; I693-L697 WeakPolarHBondContact O-CG 3.3Å; I693-L697 PolarHBondContact O-N 2.92Å; D694-L697 PolarHBondContact O-N 3.49Å; L697-I700 HydrophobicContact CD2-CD1 4.07Å; L697-N701 WeakPolarHBondContact O-CB 3.42Å; L697-N701 PolarHBondContact O-N 2.88Å; L697-N701 VanDerWaalsContact O-N 3.08Å; L697-N701 PolarHBondContact O-ND2 3.21Å; L697-V737 HydrophobicContact CD2-CB 4.42Å; L697-V737 HydrophobicContact CD2-CG1 4.09Å; L697-V737 HydrophobicContact CD2-CG2 4.34Å; L697-V737 HydrophobicContact CG-CG2 4.31Å; L697-E740 HydrophobicContact CD1-CB 3.92Å; L697-E740 HydrophobicContact CD1-CG 3.96Å; L697-E740 HydrophobicContact CD2-CB 3.62Å; L697-E740 HydrophobicContact CD2-CG 3.81Å; L697-E740 HydrophobicContact CG-CB 4.44Å; L697-E740 HydrophobicContact CG-CG 4.46Å
698N91.8Very high90.5Very high35 Ų3536.1 Ų36.119%0.18718%0.18CC..Hα-helixtrans-71.3-36.7171.4-70.9-25.4000111.7R662 D694 M695 V696 K702R662-N698 PolarHBondContact NH2-OD1 2.87Å; D694-N698 WeakPolarHBondContact O-CB 3.32Å; D694-N698 PolarHBondContact O-N 3.24Å; D694-N698 PolarHBondContact O-ND2 3.22Å; D694-N698 VanDerWaalsContact O-ND2 3.09Å; D694-N698 PolarHBondContact OD1-ND2 3.34Å; D694-N698 PolarHBondContact OD2-ND2 3.29Å; M695-N698 PolarHBondContact O-N 3.21Å; V696-N698 VanDerWaalsContact C-N 3.31Å; V696-N698 PolarHBondContact O-N 3.06Å; N698-K702 WeakPolarHBondContact O-CD 3.31Å; N698-K702 WeakPolarHBondContact O-CG 3.47Å; N698-K702 PolarHBondContact O-N 3.02Å; N698-K702 VanDerWaalsContact O-N 3.11Å
699R91Very high90.2Very high48 Ų4836.2 Ų36.218%0.18118%0.181CC..Hα-helixtrans-62.7-46172-73.3168.5-179.9-166.6-6.4111.5D543 M695 V696 N701 K702 G703 V704 S712D543-R699 PolarHBondContact O-NH2 3.39Å; D543-R699 VanDerWaalsContact O-NH2 3.08Å; D543-R699 IonicContact OD1-CZ 3.52Å; D543-R699 VanDerWaalsContact OD1-CZ 3.3Å; D543-R699 IonicContact OD1-NE 2.65Å; D543-R699 PolarHBondContact OD1-NE 2.95Å; D543-R699 IonicContact OD1-NH2 3.72Å; D543-R699 PolarHBondContact OD1-NH2 3.33Å; M695-R699 WeakPolarHBondContact O-CB 3.3Å; M695-R699 VanDerWaalsContact O-CG 3.28Å; M695-R699 WeakPolarHBondContact O-CG 3.43Å; M695-R699 PolarHBondContact O-N 3.4Å; M695-R699 PolarHBondContact SD-NH2 2.92Å; M695-R699 VanDerWaalsContact SD-NH2 3.44Å; V696-R699 WeakPolarHBondContact O-CB 3.44Å; V696-R699 PolarHBondContact O-N 3.02Å; V696-R699 VanDerWaalsContact O-N 3.17Å; R699-N701 PolarHBondContact O-N 3.36Å; R699-K702 WeakPolarHBondContact O-CB 3.36Å; R699-K702 PolarHBondContact O-N 3Å; R699-G703 PolarHBondContact O-N 3.13Å; R699-V704 HydrophobicContact CB-CB 4.2Å; R699-V704 HydrophobicContact CB-CG2 4.01Å; R699-V704 WeakPolarHBondContact O-CB 3.46Å; R699-V704 WeakPolarHBondContact O-CG2 3.49Å; R699-V704 PolarHBondContact O-N 2.89Å; R699-V704 VanDerWaalsContact O-N 3.15Å; R699-S712 PolarHBondContact NH1-OG 2.83Å
700I90.1Very high90Very high1 Ų137 Ų371%0.00519%0.187CC..Hα-helixtrans-60.1-46.4176.3-68158.7000111.5M459 I467 V696 L697 K702 G703 L707 V737 V741M459-I700 HydrophobicContact SD-CG2 3.67Å; I467-I700 HydrophobicContact CD1-CG1 4.46Å; V696-I700 HydrophobicContact CG1-CD1 3.79Å; V696-I700 WeakPolarHBondContact O-CG1 3.49Å; V696-I700 PolarHBondContact O-N 3.17Å; L697-I700 HydrophobicContact CD2-CD1 4.07Å; I700-K702 VanDerWaalsContact C-N 3.29Å; I700-K702 PolarHBondContact O-N 3.46Å; I700-G703 PolarHBondContact O-N 2.69Å; I700-L707 HydrophobicContact CD1-CD1 4.5Å; I700-L707 HydrophobicContact CD1-CD2 3.94Å; I700-L707 HydrophobicContact CG1-CD1 4.34Å; I700-L707 HydrophobicContact CG1-CD2 4.42Å; I700-V737 HydrophobicContact CD1-CG1 3.8Å; I700-V741 HydrophobicContact CD1-CG2 3.87Å; I700-V741 HydrophobicContact CG2-CG2 4.37Å
701N87.3Confident89.7Confident46 Ų4638.6 Ų38.625%0.24620%0.201CC..Hα-helixtrans-64.6-31.4178.9-79-59.3000113.4S458 L697 R699 G703S458-N701 PolarHBondContact OG-O 3.43Å; L697-N701 WeakPolarHBondContact O-CB 3.42Å; L697-N701 PolarHBondContact O-N 2.88Å; L697-N701 VanDerWaalsContact O-N 3.08Å; L697-N701 PolarHBondContact O-ND2 3.21Å; R699-N701 PolarHBondContact O-N 3.36Å; N701-G703 PolarHBondContact O-N 3.14Å
702K85.7Confident89.5Confident111 Ų11138.8 Ų38.848%0.48320%0.202SC..THydrogen-bonded Turntrans-71.6-6.9171-69167.3-171.8179.10113.9S458 D543 H544 N698 R699 I700S458-K702 PolarHBondContact OG-O 3.1Å; D543-K702 IonicContact OD2-NZ 3.3Å; D543-K702 PolarHBondContact OD2-NZ 2.98Å; H544-K702 PolarHBondContact CE1-NZ 3.39Å; H544-K702 VanDerWaalsContact CE1-NZ 3.34Å; H544-K702 PolarHBondContact ND1-NZ 3.43Å; H544-K702 VanDerWaalsContact ND1-NZ 3.19Å; N698-K702 WeakPolarHBondContact O-CD 3.31Å; N698-K702 WeakPolarHBondContact O-CG 3.47Å; N698-K702 PolarHBondContact O-N 3.02Å; N698-K702 VanDerWaalsContact O-N 3.11Å; R699-K702 WeakPolarHBondContact O-CB 3.36Å; R699-K702 PolarHBondContact O-N 3Å; I700-K702 VanDerWaalsContact C-N 3.29Å; I700-K702 PolarHBondContact O-N 3.46Å
703G82.5Confident89.4Confident27 Ų2738.8 Ų38.828%0.27820%0.202SC..THydrogen-bonded Turntrans89.420.3176.200000114.5S458 R699 I700 N701 K705S458-G703 WeakPolarHBondContact OG-CA 3.38Å; S458-G703 PolarHBondContact OG-N 3.3Å; R699-G703 PolarHBondContact O-N 3.13Å; I700-G703 PolarHBondContact O-N 2.69Å; N701-G703 PolarHBondContact O-N 3.14Å; G703-K705 PolarHBondContact O-N 3.43Å
704V83.9Confident89.3Confident61 Ų6141.9 Ų41.937%0.3722%0.216SC..  trans-64.3124169.1177.70000108.7R699 E706R699-V704 HydrophobicContact CB-CB 4.2Å; R699-V704 HydrophobicContact CB-CG2 4.01Å; R699-V704 WeakPolarHBondContact O-CB 3.46Å; R699-V704 WeakPolarHBondContact O-CG2 3.49Å; R699-V704 PolarHBondContact O-N 2.89Å; R699-V704 VanDerWaalsContact O-N 3.15Å; V704-E706 VanDerWaalsContact CG1-O 3.27Å; V704-E706 WeakPolarHBondContact CG1-O 3.22Å
705K74.2Confident89.2Confident141 Ų14144.8 Ų44.861%0.61323%0.23SC*.  trans-92.8-30-169.8-61-169.2176.2-165.20114.7T463 G703T463-K705 HydrophobicContact CG2-CB 4.34Å; T463-K705 HydrophobicContact CG2-CG 4.45Å; G703-K705 PolarHBondContact O-N 3.43Å
706E73.7Confident89.2Confident175 Ų17544.8 Ų44.882%0.81823%0.23SC*.SBendtrans-112.3127.4-179.4-70.3170.1-169.600107V704V704-E706 VanDerWaalsContact CG1-O 3.27Å; V704-E706 WeakPolarHBondContact CG1-O 3.22Å
707L83.4Confident89.2Confident24 Ų2445.9 Ų45.913%0.12623%0.234CC..  trans-127106.4-170.1-176.277.3000110I467 V696 I700 I709 V737I467-L707 HydrophobicContact CG2-CD2 4.33Å; V696-L707 HydrophobicContact CB-CD1 4.45Å; V696-L707 HydrophobicContact CG1-CD1 3.8Å; V696-L707 HydrophobicContact CG1-CD2 3.79Å; V696-L707 HydrophobicContact CG1-CG 4.34Å; V696-L707 HydrophobicContact CG2-CD1 4.36Å; I700-L707 HydrophobicContact CD1-CD1 4.5Å; I700-L707 HydrophobicContact CD1-CD2 3.94Å; I700-L707 HydrophobicContact CG1-CD1 4.34Å; I700-L707 HydrophobicContact CG1-CD2 4.42Å; L707-I709 HydrophobicContact CD2-CD1 3.8Å; L707-I709 HydrophobicContact CD2-CG1 3.89Å; L707-I709 HydrophobicContact CG-CD1 4.4Å; L707-I709 HydrophobicContact CG-CG1 3.94Å; L707-V737 HydrophobicContact CD2-CG1 4.3Å
708D88.8Confident89.2Confident83 Ų8348.4 Ų48.444%0.44425%0.248SC..  trans-101.3112.8168.1-168.3-28.7000109.1A710 A711 S712D708-A710 WeakPolarHBondContact OD1-CA 3.37Å; D708-A710 WeakPolarHBondContact OD1-CB 3.4Å; D708-A710 PolarHBondContact OD1-N 2.95Å; D708-A711 HydrophobicContact CB-CB 3.97Å; D708-A711 VanDerWaalsContact CG-CB 3.46Å; D708-A711 PolarHBondContact OD1-N 3.07Å; D708-S712 WeakPolarHBondContact O-CB 3.46Å; D708-S712 PolarHBondContact O-N 2.95Å; D708-S712 PolarHBondContact O-OG 3.15Å
709I92.6Very high89.4Confident3 Ų347 Ų472%0.01524%0.24CC..Hα-helixtrans-86.1-26.4-179.8-63.3175.1000110.6L471 L692 V696 L707 S712 L713 F730 V733 L734L471-I709 HydrophobicContact CD2-CD1 3.7Å; L692-I709 HydrophobicContact CD2-CG2 4.09Å; L692-I709 HydrophobicContact CG-CG2 4.42Å; V696-I709 HydrophobicContact CG1-CD1 4.38Å; V696-I709 HydrophobicContact CG1-CG1 4.45Å; V696-I709 HydrophobicContact CG2-CG1 4.06Å; L707-I709 HydrophobicContact CD2-CD1 3.8Å; L707-I709 HydrophobicContact CD2-CG1 3.89Å; L707-I709 HydrophobicContact CG-CD1 4.4Å; L707-I709 HydrophobicContact CG-CG1 3.94Å; I709-S712 PolarHBondContact O-N 3.49Å; I709-L713 PolarHBondContact O-N 2.9Å; I709-F730 HydrophobicContact CG2-CE2 3.95Å; I709-F730 HydrophobicContact CG2-CZ 4.39Å; I709-V733 HydrophobicContact CG2-CG1 4.07Å; I709-L734 HydrophobicContact CB-CD2 4.48Å; I709-L734 HydrophobicContact CD1-CD2 3.61Å; I709-L734 HydrophobicContact CG2-CD2 4.4Å
710A92.8Very high89.6Confident15 Ų1544.8 Ų44.812%0.12423%0.232CC..Hα-helixtrans-71.1-50.6174.500000110.4M488 D708 S712 L713 E714M488-A710 HydrophobicContact CE-CB 4.48Å; M488-A710 HydrophobicContact SD-CB 4.43Å; D708-A710 WeakPolarHBondContact OD1-CA 3.37Å; D708-A710 WeakPolarHBondContact OD1-CB 3.4Å; D708-A710 PolarHBondContact OD1-N 2.95Å; A710-S712 PolarHBondContact O-N 2.77Å; A710-L713 CarbonylContact O-C 3.57Å; A710-L713 WeakPolarHBondContact O-CA 3.47Å; A710-L713 WeakPolarHBondContact O-CB 3.42Å; A710-L713 PolarHBondContact O-N 3.31Å; A710-E714 PolarHBondContact O-N 2.84Å
711A92.9Very high89.8Confident38 Ų3846.2 Ų46.231%0.31424%0.239SC..Hα-helixtrans-62.8-28.9173.300000112.6D708 L713 H715D708-A711 HydrophobicContact CB-CB 3.97Å; D708-A711 VanDerWaalsContact CG-CB 3.46Å; D708-A711 PolarHBondContact OD1-N 3.07Å; A711-L713 VanDerWaalsContact C-N 3.3Å; A711-H715 WeakPolarHBondContact O-CB 3.47Å; A711-H715 PolarHBondContact O-N 3.47Å; A711-H715 VanDerWaalsContact O-N 3.1Å
712S94.1Very high90.1Very high4 Ų447.1 Ų47.13%0.02825%0.248CC..Hα-helixtrans-70.3-25.1170.6-62.60000112.9R699 D708 I709 A710 L716R699-S712 PolarHBondContact NH1-OG 2.83Å; D708-S712 WeakPolarHBondContact O-CB 3.46Å; D708-S712 PolarHBondContact O-N 2.95Å; D708-S712 PolarHBondContact O-OG 3.15Å; I709-S712 PolarHBondContact O-N 3.49Å; A710-S712 PolarHBondContact O-N 2.77Å; S712-L716 WeakPolarHBondContact O-CG 3.38Å
713L95.8Very high90.6Very high0 Ų041.8 Ų41.80%023%0.225CC..Hα-helixtrans-82.8-39.1173.3177.456.1000112W485 M488 L692 I709 A710 A711 H715 L716 R717 M723 V724 F730W485-L713 HydrophobicContact CZ3-CD2 4.33Å; M488-L713 HydrophobicContact CB-CD2 4.45Å; M488-L713 HydrophobicContact CG-CD2 3.97Å; M488-L713 HydrophobicContact SD-CB 4.28Å; M488-L713 HydrophobicContact SD-CD2 4.07Å; M488-L713 HydrophobicContact SD-CG 4.14Å; L692-L713 HydrophobicContact CD2-CB 4.04Å; L692-L713 HydrophobicContact CD2-CD1 4.27Å; I709-L713 PolarHBondContact O-N 2.9Å; A710-L713 CarbonylContact O-C 3.57Å; A710-L713 WeakPolarHBondContact O-CA 3.47Å; A710-L713 WeakPolarHBondContact O-CB 3.42Å; A710-L713 PolarHBondContact O-N 3.31Å; A711-L713 VanDerWaalsContact C-N 3.3Å; L713-H715 VanDerWaalsContact C-N 3.34Å; L713-H715 PolarHBondContact O-N 3.05Å; L713-L716 WeakPolarHBondContact O-CB 3.45Å; L713-L716 PolarHBondContact O-N 3.2Å; L713-R717 HydrophobicContact CD1-CG 4.29Å; L713-R717 WeakPolarHBondContact O-CG 3.29Å; L713-R717 PolarHBondContact O-N 3.04Å; L713-M723 WeakPolarHBondContact CD1-O 3.48Å; L713-V724 HydrophobicContact CD1-CB 3.95Å; L713-V724 HydrophobicContact CD1-CG2 3.62Å; L713-V724 HydrophobicContact CD2-CB 4.44Å; L713-F730 HydrophobicContact CB-CE2 4.45Å; L713-F730 HydrophobicContact CD2-CD2 3.7Å; L713-F730 HydrophobicContact CD2-CE2 3.67Å
714E94.6Very high91.2Very high66 Ų6640.5 Ų40.531%0.30821%0.211SC..Hα-helixtrans-53.7-51.8169.6-66.1-176.2145.800110.3M488 Y491 A710 L716 R717 D718M488-E714 HydrophobicContact CE-CG 3.53Å; M488-E714 WeakPolarHBondContact CE-OE1 3.4Å; M488-E714 HydrophobicContact SD-CG 3.81Å; Y491-E714 HydrophobicContact CD2-CB 4.35Å; Y491-E714 HydrophobicContact CD2-CG 3.7Å; Y491-E714 WeakPolarHBondContact CD2-OE1 3.3Å; Y491-E714 HydrophobicContact CE1-CB 4.37Å; Y491-E714 HydrophobicContact CE2-CB 3.76Å; Y491-E714 HydrophobicContact CE2-CG 3.51Å; Y491-E714 WeakPolarHBondContact CE2-OE1 3.48Å; Y491-E714 HydrophobicContact CG-CG 4.36Å; A710-E714 PolarHBondContact O-N 2.84Å; E714-L716 PolarHBondContact O-N 3.29Å; E714-L716 VanDerWaalsContact O-N 3.09Å; E714-R717 CarbonylContact O-C 3.59Å; E714-R717 WeakPolarHBondContact O-CA 3.21Å; E714-R717 PolarHBondContact O-N 3.15Å; E714-D718 PolarHBondContact O-N 2.85Å
715H93.4Very high91.6Very high62 Ų6241.6 Ų41.629%0.28721%0.212SC..Hα-helixtrans-59-22.3176177.485.4000114.5C542 A711 L713 Q719C542-H715 PolarHBondContact O-NE2 3.32Å; A711-H715 WeakPolarHBondContact O-CB 3.47Å; A711-H715 PolarHBondContact O-N 3.47Å; A711-H715 VanDerWaalsContact O-N 3.1Å; L713-H715 VanDerWaalsContact C-N 3.34Å; L713-H715 PolarHBondContact O-N 3.05Å; H715-Q719 PolarHBondContact NE2-NE2 3.14Å; H715-Q719 PolarHBondContact O-NE2 3Å
716L95.5Very high92.5Very high0 Ų036.2 Ų36.20%019%0.192CC..Hα-helixtrans-82.5-41169.6-70.2177.1000111.9I541 I691 L692 M695 S712 L713 E714 D718 Q719 R720 M723I541-L716 HydrophobicContact CG2-CD2 3.5Å; I691-L716 HydrophobicContact CG2-CD1 4.05Å; I691-L716 HydrophobicContact CG2-CD2 3.58Å; L692-L716 HydrophobicContact CB-CD1 3.75Å; L692-L716 HydrophobicContact CD1-CD1 3.96Å; L692-L716 HydrophobicContact CG-CD1 4.37Å; M695-L716 HydrophobicContact CE-CD2 3.68Å; S712-L716 WeakPolarHBondContact O-CG 3.38Å; L713-L716 WeakPolarHBondContact O-CB 3.45Å; L713-L716 PolarHBondContact O-N 3.2Å; E714-L716 PolarHBondContact O-N 3.29Å; E714-L716 VanDerWaalsContact O-N 3.09Å; L716-D718 PolarHBondContact O-N 2.74Å; L716-Q719 PolarHBondContact O-N 2.79Å; L716-R720 PolarHBondContact O-N 3.33Å; L716-M723 HydrophobicContact CB-CB 4.04Å; L716-M723 HydrophobicContact CB-CE 4.26Å; L716-M723 HydrophobicContact CB-CG 4.29Å; L716-M723 HydrophobicContact CD1-CE 4.47Å; L716-M723 HydrophobicContact CD2-CE 4.13Å
717R95.5Very high93.4Very high23 Ų2329.7 Ų29.79%0.08716%0.163CC..Hα-helixtrans-68.7-18.1177.1-71.5-177.4172.9-160.4-0.5113.3M488 Y491 Y517 L713 E714 R720 M723 V724M488-R717 VanDerWaalsContact C-NH1 3.26Å; M488-R717 PolarHBondContact O-NH1 3.45Å; Y491-R717 HydrophobicContact CD1-CB 4Å; Y491-R717 HydrophobicContact CE1-CB 4.15Å; Y517-R717 VanDerWaalsContact CE2-O 3.31Å; Y517-R717 WeakPolarHBondContact CE2-O 3.34Å; Y517-R717 PolarHBondContact OH-O 2.96Å; L713-R717 HydrophobicContact CD1-CG 4.29Å; L713-R717 WeakPolarHBondContact O-CG 3.29Å; L713-R717 PolarHBondContact O-N 3.04Å; E714-R717 CarbonylContact O-C 3.59Å; E714-R717 WeakPolarHBondContact O-CA 3.21Å; E714-R717 PolarHBondContact O-N 3.15Å; R717-R720 WeakPolarHBondContact CA-O 3.5Å; R717-M723 HydrophobicContact CG-CB 4.14Å; R717-M723 PolarHBondContact NE-O 3.47Å; R717-M723 PolarHBondContact NH2-O 2.95Å; R717-M723 VanDerWaalsContact NH2-O 3.16Å; R717-V724 PolarHBondContact NH2-O 3.47Å
718D94.4Very high93.9Very high54 Ų5433.3 Ų33.329%0.28918%0.179SC..THydrogen-bonded Turntrans-71-29166.9-80.4-36.3000113.9Y491 A493 Y517 E714 L716Y491-D718 PolarHBondContact OH-OD1 3.39Å; Y491-D718 VanDerWaalsContact OH-OD1 3.1Å; Y491-D718 PolarHBondContact OH-OD2 3.49Å; A493-D718 WeakPolarHBondContact CA-OD1 3.44Å; A493-D718 WeakPolarHBondContact CB-OD1 3.48Å; Y517-D718 WeakPolarHBondContact CD2-O 3.36Å; E714-D718 PolarHBondContact O-N 2.85Å; L716-D718 PolarHBondContact O-N 2.74Å
719Q95.2Very high94.3Very high6 Ų629.5 Ų29.53%0.02816%0.159CC..THydrogen-bonded Turntrans-103.1-26.4-172.5-65.4176.389.300113Y520 I541 C542 H715 L716Y520-Q719 WeakPolarHBondContact CB-O 3.42Å; Y520-Q719 HydrophobicContact CD1-CB 4.32Å; Y520-Q719 HydrophobicContact CD1-CG 4.08Å; Y520-Q719 HydrophobicContact CE1-CG 4.02Å; Y520-Q719 HydrophobicContact CG-CB 4.42Å; I541-Q719 HydrophobicContact CD1-CB 3.74Å; C542-Q719 PolarHBondContact O-NE2 2.85Å; H715-Q719 PolarHBondContact NE2-NE2 3.14Å; H715-Q719 PolarHBondContact O-NE2 3Å; L716-Q719 PolarHBondContact O-N 2.79Å
720R95.6Very high94.4Very high0 Ų029.4 Ų29.40%016%0.158CC..SBendtrans-149.3137.1169.9-175.2171.7176.477.11.2109.6N537 S539 I541 D682 G683 L716 R717 M723N537-R720 VanDerWaalsContact OD1-CZ 3.32Å; N537-R720 PolarHBondContact OD1-NH1 2.99Å; N537-R720 PolarHBondContact OD1-NH2 2.79Å; S539-R720 PolarHBondContact OG-NH1 3.46Å; I541-R720 HydrophobicContact CD1-CB 4.19Å; D682-R720 PolarHBondContact O-NH2 2.98Å; G683-R720 WeakPolarHBondContact O-CD 3.49Å; G683-R720 PolarHBondContact O-NE 2.9Å; L716-R720 PolarHBondContact O-N 3.33Å; R717-R720 WeakPolarHBondContact CA-O 3.5Å; R720-M723 HydrophobicContact CB-CG 3.97Å; R720-M723 HydrophobicContact CB-SD 4.12Å; R720-M723 HydrophobicContact CG-CG 4.47Å; R720-M723 HydrophobicContact CG-SD 4.32Å; R720-M723 WeakPolarHBondContact O-CG 3.38Å
721M93.9Very high94.4Very high32 Ų3232.7 Ų32.716%0.15817%0.171CC..THydrogen-bonded Turntrans-62.1155.7-178.473.7172.260.800112.7T498 V514 L515 Y517 M723T498-M721 HydrophobicContact CG2-CE 3.6Å; V514-M721 HydrophobicContact CB-CG 4.48Å; V514-M721 HydrophobicContact CG1-CG 3.93Å; L515-M721 HydrophobicContact CB-CE 3.88Å; L515-M721 PolarHBondContact N-SD 3.24Å; L515-M721 VanDerWaalsContact N-SD 3.4Å; L515-M721 WeakPolarHBondContact O-CG 3.32Å; Y517-M721 HydrophobicContact CE1-CB 3.95Å; Y517-M721 HydrophobicContact CE1-CE 4.21Å; Y517-M721 WeakPolarHBondContact OH-CA 3.49Å; Y517-M721 WeakPolarHBondContact OH-CB 3.46Å; M721-M723 PolarHBondContact O-N 3.29Å
722C93.1Very high94.5Very high64 Ų6431.6 Ų31.643%0.43216%0.159SC..THydrogen-bonded Turntrans58.312.5168.5-55.70000116.4V514 A684 V724 H725V514-C722 HydrophobicContact CG2-CB 4.25Å; A684-C722 HydrophobicContact CB-CB 4.42Å; C722-V724 CarbonylContact O-C 3.49Å; C722-V724 PolarHBondContact O-N 3.29Å; C722-H725 PolarHBondContact O-CD2 3.09Å; C722-H725 VanDerWaalsContact O-CD2 3.26Å
723M96Very high94.6Very high0 Ų031.4 Ų31.40%016%0.158CC..  trans-51.6130.8179-68.5-77.5-90.300111I541 A553 A684 I691 L713 L716 R717 R720 M721I541-M723 HydrophobicContact CD1-CE 4.29Å; I541-M723 HydrophobicContact CG1-CE 4.48Å; A553-M723 HydrophobicContact CB-CE 4.26Å; A684-M723 HydrophobicContact CB-SD 4.25Å; A684-M723 WeakPolarHBondContact O-CA 3.48Å; I691-M723 HydrophobicContact CD1-CE 4.08Å; L713-M723 WeakPolarHBondContact CD1-O 3.48Å; L716-M723 HydrophobicContact CB-CB 4.04Å; L716-M723 HydrophobicContact CB-CE 4.26Å; L716-M723 HydrophobicContact CB-CG 4.29Å; L716-M723 HydrophobicContact CD1-CE 4.47Å; L716-M723 HydrophobicContact CD2-CE 4.13Å; R717-M723 HydrophobicContact CG-CB 4.14Å; R717-M723 PolarHBondContact NE-O 3.47Å; R717-M723 PolarHBondContact NH2-O 2.95Å; R717-M723 VanDerWaalsContact NH2-O 3.16Å; R720-M723 HydrophobicContact CB-CG 3.97Å; R720-M723 HydrophobicContact CB-SD 4.12Å; R720-M723 HydrophobicContact CG-CG 4.47Å; R720-M723 HydrophobicContact CG-SD 4.32Å; R720-M723 WeakPolarHBondContact O-CG 3.38Å; M721-M723 PolarHBondContact O-N 3.29Å
724V95.7Very high94.6Very high0 Ų031.5 Ų31.50%016%0.158CC..SBendtrans60113.7-163.6-172.60000111.5W485 A684 L692 L713 R717 C722 Q729 F730W485-V724 HydrophobicContact CH2-CG1 4.2Å; W485-V724 HydrophobicContact CZ3-CG1 4.02Å; A684-V724 PolarHBondContact O-N 3.46Å; L692-V724 HydrophobicContact CD2-CG2 4.26Å; L713-V724 HydrophobicContact CD1-CB 3.95Å; L713-V724 HydrophobicContact CD1-CG2 3.62Å; L713-V724 HydrophobicContact CD2-CB 4.44Å; R717-V724 PolarHBondContact NH2-O 3.47Å; C722-V724 CarbonylContact O-C 3.49Å; C722-V724 PolarHBondContact O-N 3.29Å; V724-Q729 HydrophobicContact CG1-CB 3.73Å; V724-F730 HydrophobicContact CG1-CB 4.29Å
725H91.8Very high94.6Very high83 Ų8329.8 Ų29.838%0.38415%0.153SC..  trans-84.6-34.6-172.4-78.8-167.3000114.1W485 D682 G685 C722W485-H725 WeakPolarHBondContact CZ2-O 3.37Å; D682-H725 VanDerWaalsContact CG-CE1 3.41Å; D682-H725 IonicContact OD1-CE1 2.71Å; D682-H725 IonicContact OD1-NE2 3.48Å; D682-H725 IonicContact OD2-CE1 3.13Å; G685-H725 WeakPolarHBondContact CA-CD2 3.41Å; G685-H725 PolarHBondContact N-CD2 2.62Å; G685-H725 VanDerWaalsContact N-CD2 3.35Å; G685-H725 PolarHBondContact N-NE2 3.14Å; C722-H725 PolarHBondContact O-CD2 3.09Å; C722-H725 VanDerWaalsContact O-CD2 3.26Å
726S93.4Very high94.7Very high28 Ų2826.8 Ų26.820%0.19614%0.14CC..SBendtrans-135.7162.9-167.888.70000113.9W485 E728 Q729 F730W485-S726 VanDerWaalsContact CH2-C 3.47Å; W485-S726 WeakPolarHBondContact CH2-O 3.14Å; W485-S726 VanDerWaalsContact CZ2-C 3.44Å; S726-E728 VanDerWaalsContact C-N 3.3Å; S726-E728 WeakPolarHBondContact CB-OE2 3.33Å; S726-E728 PolarHBondContact O-N 2.92Å; S726-E728 PolarHBondContact OG-N 2.86Å; S726-E728 PolarHBondContact OG-OE2 3.06Å; S726-Q729 WeakPolarHBondContact O-CB 3.38Å; S726-Q729 PolarHBondContact O-N 2.94Å; S726-Q729 PolarHBondContact OG-N 2.88Å; S726-F730 PolarHBondContact O-N 2.6Å; S726-F730 VanDerWaalsContact O-N 3.13Å
727I93.7Very high94.7Very high38 Ų3826.8 Ų26.820%0.19514%0.14CC..Hα-helixtrans-65.6-34.3178.7-169.4170.2000111.7L481 E482 W485 Q729 F730 E731L481-I727 HydrophobicContact CG-CD1 4.36Å; L481-I727 HydrophobicContact CG-CG1 4.3Å; E482-I727 HydrophobicContact CB-CD1 4.41Å; E482-I727 HydrophobicContact CG-CD1 3.88Å; W485-I727 HydrophobicContact CB-CB 4.44Å; W485-I727 HydrophobicContact CB-CD1 3.87Å; W485-I727 HydrophobicContact CB-CG1 3.97Å; W485-I727 HydrophobicContact CD2-CB 3.98Å; W485-I727 HydrophobicContact CD2-CG1 4.35Å; W485-I727 HydrophobicContact CG-CB 3.8Å; W485-I727 HydrophobicContact CG-CD1 4.06Å; W485-I727 HydrophobicContact CG-CG1 3.87Å; I727-Q729 VanDerWaalsContact C-N 3.33Å; I727-Q729 PolarHBondContact O-N 2.95Å; I727-F730 CarbonylContact O-C 3.59Å; I727-F730 WeakPolarHBondContact O-CB 3.39Å; I727-F730 PolarHBondContact O-N 3.14Å; I727-F730 VanDerWaalsContact O-N 3.14Å; I727-E731 PolarHBondContact O-N 3.14Å
728E94.2Very high94.6Very high100 Ų10026.3 Ų26.347%0.46714%0.14SC..Hα-helixtrans-65.4-38175.9-52.476.6-169.800110.8V651 S726 F730 E731 F732V651-E728 HydrophobicContact CG1-CB 4.34Å; V651-E728 WeakPolarHBondContact CG1-O 3.27Å; S726-E728 VanDerWaalsContact C-N 3.3Å; S726-E728 WeakPolarHBondContact CB-OE2 3.33Å; S726-E728 PolarHBondContact O-N 2.92Å; S726-E728 PolarHBondContact OG-N 2.86Å; S726-E728 PolarHBondContact OG-OE2 3.06Å; E728-F730 VanDerWaalsContact C-N 3.34Å; E728-E731 PolarHBondContact O-N 3.36Å; E728-F732 VanDerWaalsContact O-CB 3.24Å; E728-F732 WeakPolarHBondContact O-CB 3.45Å; E728-F732 PolarHBondContact O-N 3.49Å
729Q95.5Very high94.5Very high4 Ų427 Ų272%0.01914%0.144CC..Hα-helixtrans-64.6-38.8172.5-70.5178.51.900111.4G650 V651 G685 T689 V724 S726 I727 F732 V733G650-Q729 PolarHBondContact O-NE2 2.81Å; V651-Q729 HydrophobicContact CG1-CG 4.06Å; G685-Q729 PolarHBondContact O-OE1 3.02Å; T689-Q729 HydrophobicContact CG2-CB 4.23Å; T689-Q729 PolarHBondContact OG1-OE1 2.85Å; V724-Q729 HydrophobicContact CG1-CB 3.73Å; S726-Q729 WeakPolarHBondContact O-CB 3.38Å; S726-Q729 PolarHBondContact O-N 2.94Å; S726-Q729 PolarHBondContact OG-N 2.88Å; I727-Q729 VanDerWaalsContact C-N 3.33Å; I727-Q729 PolarHBondContact O-N 2.95Å; Q729-F732 PolarHBondContact O-N 2.82Å; Q729-V733 WeakPolarHBondContact O-CG2 3.39Å; Q729-V733 PolarHBondContact O-N 3.41Å; Q729-V733 VanDerWaalsContact O-N 3.07Å
730F94.8Very high94.4Very high1 Ų127.4 Ų27.40%0.00415%0.146CC..Hα-helixtrans-69-41.2175.6-169-119.5000112.7L481 E484 W485 L692 I709 L713 V724 S726 I727 E728 F732 V733 L734L481-F730 HydrophobicContact CD1-CD1 3.53Å; L481-F730 HydrophobicContact CD1-CE1 3.8Å; E484-F730 HydrophobicContact CB-CE1 4.44Å; W485-F730 HydrophobicContact CE3-CB 3.82Å; W485-F730 HydrophobicContact CE3-CD1 4.21Å; W485-F730 HydrophobicContact CE3-CG 4.03Å; W485-F730 HydrophobicContact CZ3-CB 3.89Å; W485-F730 HydrophobicContact CZ3-CG 4.31Å; L692-F730 HydrophobicContact CD2-CD2 4.44Å; L692-F730 HydrophobicContact CD2-CE2 4.42Å; I709-F730 HydrophobicContact CG2-CE2 3.95Å; I709-F730 HydrophobicContact CG2-CZ 4.39Å; L713-F730 HydrophobicContact CB-CE2 4.45Å; L713-F730 HydrophobicContact CD2-CD2 3.7Å; L713-F730 HydrophobicContact CD2-CE2 3.67Å; V724-F730 HydrophobicContact CG1-CB 4.29Å; S726-F730 PolarHBondContact O-N 2.6Å; S726-F730 VanDerWaalsContact O-N 3.13Å; I727-F730 CarbonylContact O-C 3.59Å; I727-F730 WeakPolarHBondContact O-CB 3.39Å; I727-F730 PolarHBondContact O-N 3.14Å; I727-F730 VanDerWaalsContact O-N 3.14Å; E728-F730 VanDerWaalsContact C-N 3.34Å; F730-F732 VanDerWaalsContact C-N 3.3Å; F730-F732 PolarHBondContact O-N 2.67Å; F730-V733 WeakPolarHBondContact O-CB 3.4Å; F730-V733 PolarHBondContact O-N 2.97Å; F730-L734 PolarHBondContact O-N 3.05Å
731E94.1Very high94.2Very high83 Ų8327.4 Ų27.439%0.38815%0.146SC..Hα-helixtrans-61-39171.8-164.3-176164.200111.9L475 L481 I727 E728 V733 L734 S735L475-E731 HydrophobicContact CD2-CG 3.75Å; L481-E731 HydrophobicContact CD2-CB 3.9Å; L481-E731 HydrophobicContact CD2-CG 3.78Å; I727-E731 PolarHBondContact O-N 3.14Å; E728-E731 PolarHBondContact O-N 3.36Å; E731-V733 VanDerWaalsContact C-N 3.34Å; E731-V733 PolarHBondContact O-N 2.64Å; E731-L734 WeakPolarHBondContact O-CB 3.49Å; E731-L734 PolarHBondContact O-N 3.28Å; E731-S735 WeakPolarHBondContact O-CB 3.33Å; E731-S735 PolarHBondContact O-N 3.22Å; E731-S735 PolarHBondContact O-OG 2.69Å
732F95.5Very high94.1Very high15 Ų1529.1 Ų29.17%0.06615%0.153CC..Hα-helixtrans-69.2-30.1177.3-175.7-92.7000112.6V651 P652 T655 L658 T689 I693 E728 Q729 F730 C736V651-F732 HydrophobicContact CB-CB 4.1Å; V651-F732 HydrophobicContact CB-CD1 4.49Å; V651-F732 HydrophobicContact CB-CD2 3.86Å; V651-F732 HydrophobicContact CB-CE2 4.44Å; V651-F732 HydrophobicContact CB-CG 3.89Å; V651-F732 HydrophobicContact CG1-CB 3.69Å; V651-F732 HydrophobicContact CG1-CD2 4.4Å; V651-F732 HydrophobicContact CG1-CG 4Å; V651-F732 HydrophobicContact CG2-CD2 4.1Å; P652-F732 HydrophobicContact CB-CE2 4.38Å; P652-F732 HydrophobicContact CB-CZ 3.91Å; P652-F732 VanDerWaalsContact CD-CZ 3.48Å; P652-F732 HydrophobicContact CG-CE1 3.89Å; P652-F732 HydrophobicContact CG-CE2 4.42Å; P652-F732 HydrophobicContact CG-CZ 3.67Å; P652-F732 WeakPolarHBondContact O-CE2 3.37Å; T655-F732 HydrophobicContact CG2-CD2 4.25Å; T655-F732 HydrophobicContact CG2-CE2 3.73Å; T655-F732 HydrophobicContact CG2-CZ 4.18Å; L658-F732 HydrophobicContact CD2-CE1 3.77Å; L658-F732 HydrophobicContact CD2-CZ 4.4Å; T689-F732 HydrophobicContact CG2-CD1 4.5Å; I693-F732 HydrophobicContact CD1-CD1 4.29Å; I693-F732 HydrophobicContact CD1-CE1 4.29Å; E728-F732 VanDerWaalsContact O-CB 3.24Å; E728-F732 WeakPolarHBondContact O-CB 3.45Å; E728-F732 PolarHBondContact O-N 3.49Å; Q729-F732 PolarHBondContact O-N 2.82Å; F730-F732 VanDerWaalsContact C-N 3.3Å; F730-F732 PolarHBondContact O-N 2.67Å; F732-C736 WeakPolarHBondContact CE1-SG 3.45Å; F732-C736 VanDerWaalsContact CZ-SG 3.52Å; F732-C736 WeakPolarHBondContact O-CB 3.19Å; F732-C736 PolarHBondContact O-N 2.95Å; F732-C736 PolarHBondContact O-SG 3.05Å
733V96Very high94Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-61-53.1167.8174.70000109.7T689 L692 I693 I709 Q729 F730 E731 S735 C736 V737T689-V733 HydrophobicContact CG2-CG2 3.72Å; L692-V733 HydrophobicContact CB-CG2 4.47Å; L692-V733 HydrophobicContact CD2-CB 4.48Å; L692-V733 HydrophobicContact CD2-CG1 3.93Å; L692-V733 HydrophobicContact CD2-CG2 4.07Å; L692-V733 HydrophobicContact CG-CG1 3.91Å; L692-V733 HydrophobicContact CG-CG2 4.48Å; I693-V733 HydrophobicContact CD1-CG2 4.31Å; I693-V733 HydrophobicContact CG1-CB 4.11Å; I693-V733 HydrophobicContact CG1-CG1 3.96Å; I693-V733 HydrophobicContact CG1-CG2 3.94Å; I709-V733 HydrophobicContact CG2-CG1 4.07Å; Q729-V733 WeakPolarHBondContact O-CG2 3.39Å; Q729-V733 PolarHBondContact O-N 3.41Å; Q729-V733 VanDerWaalsContact O-N 3.07Å; F730-V733 WeakPolarHBondContact O-CB 3.4Å; F730-V733 PolarHBondContact O-N 2.97Å; E731-V733 VanDerWaalsContact C-N 3.34Å; E731-V733 PolarHBondContact O-N 2.64Å; V733-S735 VanDerWaalsContact C-N 3.26Å; V733-S735 PolarHBondContact O-N 2.94Å; V733-C736 PolarHBondContact O-N 2.83Å; V733-V737 HydrophobicContact CG1-CG2 4.29Å; V733-V737 VanDerWaalsContact O-CG2 3.25Å; V733-V737 WeakPolarHBondContact O-CG2 3.15Å; V733-V737 PolarHBondContact O-N 2.82Å
734L94.3Very high93.5Very high2 Ų228.9 Ų28.91%0.0115%0.153CC..Hα-helixtrans-56.4-42.8179.1-65.6172.1000111.5L471 H474 L475 L481 I709 F730 E731 V737 A738L471-L734 HydrophobicContact CD2-CD2 3.64Å; H474-L734 HydrophobicContact CB-CD1 4.23Å; L475-L734 HydrophobicContact CD1-CB 4.44Å; L475-L734 HydrophobicContact CD2-CB 3.77Å; L475-L734 HydrophobicContact CD2-CD1 4.44Å; L475-L734 HydrophobicContact CG-CB 4.1Å; L481-L734 HydrophobicContact CD1-CD1 3.45Å; L481-L734 VanDerWaalsContact CD1-CD1 3.45Å; I709-L734 HydrophobicContact CB-CD2 4.48Å; I709-L734 HydrophobicContact CD1-CD2 3.61Å; I709-L734 HydrophobicContact CG2-CD2 4.4Å; F730-L734 PolarHBondContact O-N 3.05Å; E731-L734 WeakPolarHBondContact O-CB 3.49Å; E731-L734 PolarHBondContact O-N 3.28Å; L734-V737 PolarHBondContact O-N 3.13Å; L734-A738 WeakPolarHBondContact O-CB 3.46Å; L734-A738 PolarHBondContact O-N 3.46Å
735S94.5Very high93.1Very high30 Ų3029.9 Ų29.921%0.2116%0.159CC..Hα-helixtrans-63.2-49.1177.1-59.40000112.4E731 V733 V737 A738 D739E731-S735 WeakPolarHBondContact O-CB 3.33Å; E731-S735 PolarHBondContact O-N 3.22Å; E731-S735 PolarHBondContact O-OG 2.69Å; V733-S735 VanDerWaalsContact C-N 3.26Å; V733-S735 PolarHBondContact O-N 2.94Å; S735-V737 VanDerWaalsContact C-N 3.3Å; S735-V737 PolarHBondContact O-N 2.87Å; S735-A738 PolarHBondContact O-N 2.81Å; S735-D739 PolarHBondContact O-N 3.49Å
736C96Very high93Very high0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-60.7-38.1175.8-80.50000112.7L659 I693 F732 V733 E740L659-C736 HydrophobicContact CD2-CB 4.17Å; I693-C736 HydrophobicContact CD1-CB 3.85Å; I693-C736 HydrophobicContact CG1-CB 4.08Å; I693-C736 HydrophobicContact CG2-CB 4.16Å; F732-C736 WeakPolarHBondContact CE1-SG 3.45Å; F732-C736 VanDerWaalsContact CZ-SG 3.52Å; F732-C736 WeakPolarHBondContact O-CB 3.19Å; F732-C736 PolarHBondContact O-N 2.95Å; F732-C736 PolarHBondContact O-SG 3.05Å; V733-C736 PolarHBondContact O-N 2.83Å; C736-E740 PolarHBondContact O-N 2.89Å; C736-E740 VanDerWaalsContact O-N 3.14Å
737V94.8Very high92.6Very high0 Ų035.7 Ų35.70%019%0.194CC..Hα-helixtrans-70.5-42.3178.2178.20000110.5L471 V696 L697 I700 L707 V733 L734 S735 E740 V741L471-V737 HydrophobicContact CD1-CB 4.27Å; L471-V737 HydrophobicContact CD1-CG1 3.74Å; V696-V737 HydrophobicContact CB-CG2 4.22Å; V696-V737 HydrophobicContact CG1-CB 4.28Å; V696-V737 HydrophobicContact CG1-CG1 3.66Å; V696-V737 HydrophobicContact CG1-CG2 3.51Å; L697-V737 HydrophobicContact CD2-CB 4.42Å; L697-V737 HydrophobicContact CD2-CG1 4.09Å; L697-V737 HydrophobicContact CD2-CG2 4.34Å; L697-V737 HydrophobicContact CG-CG2 4.31Å; I700-V737 HydrophobicContact CD1-CG1 3.8Å; L707-V737 HydrophobicContact CD2-CG1 4.3Å; V733-V737 HydrophobicContact CG1-CG2 4.29Å; V733-V737 VanDerWaalsContact O-CG2 3.25Å; V733-V737 WeakPolarHBondContact O-CG2 3.15Å; V733-V737 PolarHBondContact O-N 2.82Å; L734-V737 PolarHBondContact O-N 3.13Å; S735-V737 VanDerWaalsContact C-N 3.3Å; S735-V737 PolarHBondContact O-N 2.87Å; V737-E740 PolarHBondContact O-N 2.98Å; V737-V741 HydrophobicContact CG1-CG2 4.23Å; V737-V741 WeakPolarHBondContact O-CB 3.28Å; V737-V741 VanDerWaalsContact O-CG2 3.24Å; V737-V741 WeakPolarHBondContact O-CG2 3.41Å; V737-V741 PolarHBondContact O-N 3.09Å
738A93.6Very high91.9Very high12 Ų1235.7 Ų35.710%0.09919%0.194CC..Hα-helixtrans-61.1-46.1176.600000111.8L468 L471 L475 L734 S735 E740 V741 Q742L468-A738 WeakPolarHBondContact CD2-O 3.45Å; L471-A738 HydrophobicContact CB-CB 4.14Å; L471-A738 HydrophobicContact CD1-CB 4.07Å; L475-A738 HydrophobicContact CD1-CB 4.27Å; L734-A738 WeakPolarHBondContact O-CB 3.46Å; L734-A738 PolarHBondContact O-N 3.46Å; S735-A738 PolarHBondContact O-N 2.81Å; A738-E740 PolarHBondContact O-N 3.39Å; A738-V741 PolarHBondContact O-N 2.7Å; A738-Q742 VanDerWaalsContact O-CB 3.23Å; A738-Q742 WeakPolarHBondContact O-CB 3.41Å; A738-Q742 PolarHBondContact O-N 2.74Å
739D93.9Very high90.9Very high69 Ų6935.3 Ų35.337%0.36920%0.201SC..Hα-helixtrans-61.5-43.5177.5-85.9-30.8000112.8T655 L659 S735 Q742 A743T655-D739 VanDerWaalsContact CB-OD2 3.28Å; T655-D739 WeakPolarHBondContact CB-OD2 3.45Å; T655-D739 PolarHBondContact OG1-OD2 2.82Å; L659-D739 HydrophobicContact CD1-CB 3.86Å; S735-D739 PolarHBondContact O-N 3.49Å; D739-Q742 PolarHBondContact O-N 2.76Å; D739-A743 WeakPolarHBondContact O-CB 3.44Å; D739-A743 PolarHBondContact O-N 3.04Å
740E92.2Very high89.2Confident14 Ų1443.2 Ų43.27%0.06524%0.243CC..Hα-helixtrans-68.6-44.1178.6-165.772.9-157.100111.5L659 R663 L697 C736 V737 A738 Q742 A743 I744L659-E740 HydrophobicContact CD1-CB 4.38Å; L659-E740 HydrophobicContact CD2-CB 4.25Å; R663-E740 IonicContact CZ-OE1 2.66Å; R663-E740 IonicContact CZ-OE2 3.92Å; R663-E740 IonicContact NE-OE1 2.65Å; R663-E740 PolarHBondContact NE-OE1 3.26Å; R663-E740 IonicContact NE-OE2 3.65Å; R663-E740 PolarHBondContact NE-OE2 2.92Å; R663-E740 IonicContact NH1-OE2 3.04Å; R663-E740 IonicContact NH2-OE1 2.62Å; R663-E740 PolarHBondContact NH2-OE1 2.61Å; R663-E740 IonicContact NH2-OE2 2.73Å; R663-E740 PolarHBondContact NH2-OE2 2.67Å; L697-E740 HydrophobicContact CD1-CB 3.92Å; L697-E740 HydrophobicContact CD1-CG 3.96Å; L697-E740 HydrophobicContact CD2-CB 3.62Å; L697-E740 HydrophobicContact CD2-CG 3.81Å; L697-E740 HydrophobicContact CG-CB 4.44Å; L697-E740 HydrophobicContact CG-CG 4.46Å; C736-E740 PolarHBondContact O-N 2.89Å; C736-E740 VanDerWaalsContact O-N 3.14Å; V737-E740 PolarHBondContact O-N 2.98Å; A738-E740 PolarHBondContact O-N 3.39Å; E740-Q742 VanDerWaalsContact C-N 3.31Å; E740-Q742 PolarHBondContact O-N 2.82Å; E740-A743 PolarHBondContact O-N 3.43Å; E740-I744 HydrophobicContact CG-CD1 4.13Å; E740-I744 VanDerWaalsContact O-CG1 3.27Å; E740-I744 WeakPolarHBondContact O-CG1 3.41Å; E740-I744 PolarHBondContact O-N 3.25Å
741V91.6Very high86.5Confident0 Ų055.4 Ų55.40%030%0.3CS..Hα-helixtrans-63.1-39.8176.8176.20000110.4M459 I467 L468 I700 V737 A738 I744 V745M459-V741 HydrophobicContact CE-CG1 4.1Å; M459-V741 HydrophobicContact SD-CG1 4.23Å; I467-V741 HydrophobicContact CB-CG1 4.43Å; I467-V741 HydrophobicContact CG2-CG1 4.21Å; I467-V741 HydrophobicContact CG2-CG2 4.08Å; L468-V741 HydrophobicContact CD1-CG1 4.24Å; L468-V741 HydrophobicContact CD2-CB 4.05Å; L468-V741 HydrophobicContact CD2-CG1 3.97Å; L468-V741 HydrophobicContact CG-CB 4.37Å; L468-V741 HydrophobicContact CG-CG1 3.73Å; I700-V741 HydrophobicContact CD1-CG2 3.87Å; I700-V741 HydrophobicContact CG2-CG2 4.37Å; V737-V741 HydrophobicContact CG1-CG2 4.23Å; V737-V741 WeakPolarHBondContact O-CB 3.28Å; V737-V741 VanDerWaalsContact O-CG2 3.24Å; V737-V741 WeakPolarHBondContact O-CG2 3.41Å; V737-V741 PolarHBondContact O-N 3.09Å; A738-V741 PolarHBondContact O-N 2.7Å; V741-I744 PolarHBondContact O-N 3.39Å; V741-V745 HydrophobicContact CG1-CG2 4.41Å; V741-V745 WeakPolarHBondContact O-CB 3.19Å; V741-V745 WeakPolarHBondContact O-CG2 3.35Å; V741-V745 PolarHBondContact O-N 3.3Å
742Q91.8Very high86.2Confident68 Ų6854.1 Ų54.132%0.31830%0.296SS..Hα-helixtrans-67.3-37.1176.4-159.2-169.99700111.7L468 A738 D739 E740 K746L468-Q742 HydrophobicContact CD1-CB 4.29Å; L468-Q742 HydrophobicContact CD1-CG 4.33Å; L468-Q742 HydrophobicContact CD2-CB 3.91Å; A738-Q742 VanDerWaalsContact O-CB 3.23Å; A738-Q742 WeakPolarHBondContact O-CB 3.41Å; A738-Q742 PolarHBondContact O-N 2.74Å; D739-Q742 PolarHBondContact O-N 2.76Å; E740-Q742 VanDerWaalsContact C-N 3.31Å; E740-Q742 PolarHBondContact O-N 2.82Å; Q742-K746 HydrophobicContact CG-CD 4.35Å; Q742-K746 WeakPolarHBondContact O-CB 3.37Å; Q742-K746 WeakPolarHBondContact O-CD 3.46Å; Q742-K746 WeakPolarHBondContact O-CG 3.47Å; Q742-K746 PolarHBondContact O-N 3Å
743A90.1Very high85.7Confident40 Ų4056.1 Ų56.133%0.33131%0.308SS..Hα-helixtrans-65.6-40.8172.800000112.2D739 E740 K746 A747D739-A743 WeakPolarHBondContact O-CB 3.44Å; D739-A743 PolarHBondContact O-N 3.04Å; E740-A743 PolarHBondContact O-N 3.43Å; A743-K746 PolarHBondContact O-N 3.15Å; A743-A747 WeakPolarHBondContact O-CB 3.37Å; A743-A747 PolarHBondContact O-N 3.19Å; A743-A747 VanDerWaalsContact O-N 3.12Å
744I87Confident85.1Confident19 Ų1959.2 Ų59.210%0.09733%0.325CS..Hα-helixtrans-62.8-51.6174.8-69.4163.7000110.4S457 M459 E740 V741 K746 A747 I748S457-I744 VanDerWaalsContact OG-CG2 3.22Å; S457-I744 WeakPolarHBondContact OG-CG2 3.21Å; M459-I744 HydrophobicContact CE-CB 4.23Å; M459-I744 HydrophobicContact CE-CG2 3.56Å; E740-I744 HydrophobicContact CG-CD1 4.13Å; E740-I744 VanDerWaalsContact O-CG1 3.27Å; E740-I744 WeakPolarHBondContact O-CG1 3.41Å; E740-I744 PolarHBondContact O-N 3.25Å; V741-I744 PolarHBondContact O-N 3.39Å; I744-K746 VanDerWaalsContact C-N 3.27Å; I744-K746 PolarHBondContact O-N 2.98Å; I744-A747 WeakPolarHBondContact O-CA 3.46Å; I744-A747 WeakPolarHBondContact O-CB 3.47Å; I744-A747 PolarHBondContact O-N 3.4Å; I744-I748 PolarHBondContact O-N 2.92Å; I744-I748 VanDerWaalsContact O-N 3.12Å
745V87.3Confident84.6Confident21 Ų2162.6 Ų62.613%0.12734%0.344CS..Hα-helixtrans-59-38.4179.1170.20000111.6M459 L468 V741 A747M459-V745 HydrophobicContact CE-CG2 3.9Å; L468-V745 HydrophobicContact CD1-CG2 4.26Å; V741-V745 HydrophobicContact CG1-CG2 4.41Å; V741-V745 WeakPolarHBondContact O-CB 3.19Å; V741-V745 WeakPolarHBondContact O-CG2 3.35Å; V741-V745 PolarHBondContact O-N 3.3Å; V745-A747 VanDerWaalsContact C-N 3.28Å; V745-A747 PolarHBondContact O-N 3.26Å
746K88.2Confident83.9Confident155 Ų15564.6 Ų64.667%0.67435%0.352SS*.Hα-helixtrans-69.7-18.5173.8-75.2168.4174.1173.20114.4Q742 A743 I744Q742-K746 HydrophobicContact CG-CD 4.35Å; Q742-K746 WeakPolarHBondContact O-CB 3.37Å; Q742-K746 WeakPolarHBondContact O-CD 3.46Å; Q742-K746 WeakPolarHBondContact O-CG 3.47Å; Q742-K746 PolarHBondContact O-N 3Å; A743-K746 PolarHBondContact O-N 3.15Å; I744-K746 VanDerWaalsContact C-N 3.27Å; I744-K746 PolarHBondContact O-N 2.98Å
747A85.7Confident83.1Confident78 Ų7868.9 Ų68.965%0.64538%0.376SS*.Hα-helixtrans-95.9-17.1-179.400000113.6A743 I744 V745 P749A743-A747 WeakPolarHBondContact O-CB 3.37Å; A743-A747 PolarHBondContact O-N 3.19Å; A743-A747 VanDerWaalsContact O-N 3.12Å; I744-A747 WeakPolarHBondContact O-CA 3.46Å; I744-A747 WeakPolarHBondContact O-CB 3.47Å; I744-A747 PolarHBondContact O-N 3.4Å; V745-A747 VanDerWaalsContact C-N 3.28Å; V745-A747 PolarHBondContact O-N 3.26Å; A747-P749 WeakPolarHBondContact O-CD 3.37Å
748I79.1Confident82.3Confident38 Ų3873.9 Ų73.920%0.19540%0.402CS..SBendtrans-67.2125.5172.1-63.2167.7000108.5V461 I744 N750V461-I748 HydrophobicContact CG2-CB 4.15Å; V461-I748 HydrophobicContact CG2-CD1 3.86Å; V461-I748 HydrophobicContact CG2-CG2 3.65Å; I744-I748 PolarHBondContact O-N 2.92Å; I744-I748 VanDerWaalsContact O-N 3.12Å; I748-N750 PolarHBondContact O-N 2.92Å
749P72.5Confident81.4Confident92 Ų9278.6 Ų78.660%0.59743%0.426SS*.  trans-63.1132.7175.2-21.733.3000111.3A747 Q751A747-P749 WeakPolarHBondContact O-CD 3.37Å; P749-Q751 PolarHBondContact O-N 2.84Å; P749-Q751 VanDerWaalsContact O-N 3.13Å
750N59.5Low80.4Confident171 Ų17179.4 Ų79.491%0.91443%0.43SS*.  trans-58.8115.9166.7-68.8-16.4000109I748I748-N750 PolarHBondContact O-N 2.92Å
751Q39.8Very low79.3Confident257 Ų25785.4 Ų85.4100%1.20146%0.464SS*.  trans-88.10174.4-64.4-172.3-200111.4P749P749-Q751 PolarHBondContact O-N 2.84Å; P749-Q751 VanDerWaalsContact O-N 3.13Å

Retrieved 751 of 751 residues in 1212.5 ms (Link to these results)

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