A0A077ZGH5_TRITR Loading...

Oxygen-independent coproporphyrinogen III oxidase

AlphaFold DB , UniProt , Accession A0A077ZGH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 457 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low73.3Confident225 Ų22587.9 Ų87.9100%1.10848%0.476SS*.  0126.40-65.5178.1-160.600107.3V3M1-V3 PolarHBondContact O-N 2.68Å
2S41.5Very low75.1Confident113 Ų11382.1 Ų82.179%0.7944%0.444SS*.  trans-64.3125.2175590000108.5Q4S2-Q4 PolarHBondContact O-N 2.76Å; S2-Q4 VanDerWaalsContact O-N 3.11Å
3V52.4Low76.3Confident50 Ų5077.2 Ų77.230%0.30342%0.417SS..  trans-60.9118.9173.9-179.90000107.1M1 Q5 Q283 R302M1-V3 PolarHBondContact O-N 2.68Å; V3-Q5 PolarHBondContact O-N 3.29Å; V3-Q283 HydrophobicContact CG1-CG 4.39Å; V3-R302 HydrophobicContact CG2-CG 3.66Å
4Q55.1Low77.3Confident120 Ų12078.9 Ų78.956%0.56142%0.421SS*.  trans-61.4114178.3-69.2175-4.200108.2S2 R430S2-Q4 PolarHBondContact O-N 2.76Å; S2-Q4 VanDerWaalsContact O-N 3.11Å; Q4-R430 PolarHBondContact O-NH1 3.36Å
5Q71.6Confident78.2Confident141 Ų14181.9 Ų81.966%0.65943%0.429SS*.  trans-57.8143.8171.1-85.5166.1-30.400108.7V3 D7 T278 A427V3-Q5 PolarHBondContact O-N 3.29Å; Q5-D7 PolarHBondContact O-N 2.94Å; Q5-T278 HydrophobicContact CG-CG2 4.26Å; Q5-A427 WeakPolarHBondContact O-CB 3.32Å
6I85.4Confident79.1Confident30 Ų3077.9 Ų77.915%0.15441%0.407CS..  trans-54.8134.6175.6-60.7167.5000108.9I274 F284 R430 L431I6-I274 HydrophobicContact CD1-CD1 3.97Å; I6-I274 HydrophobicContact CD1-CG1 4.3Å; I6-I274 HydrophobicContact CD1-CG2 3.76Å; I6-F284 HydrophobicContact CD1-CB 4.06Å; I6-F284 HydrophobicContact CD1-CD1 3.04Å; I6-F284 HydrophobicContact CD1-CD2 4.35Å; I6-F284 HydrophobicContact CD1-CE1 3.35Å; I6-F284 HydrophobicContact CD1-CG 3.57Å; I6-F284 HydrophobicContact CD1-CZ 4.11Å; I6-F284 HydrophobicContact CG1-CD1 3.69Å; I6-F284 HydrophobicContact CG1-CE1 4.13Å; I6-F284 HydrophobicContact CG1-CG 4.46Å; I6-R430 HydrophobicContact CG1-CB 4.46Å; I6-L431 HydrophobicContact CD1-CD2 4.09Å; I6-L431 HydrophobicContact CD1-CG 4.23Å; I6-L431 HydrophobicContact CG2-CD1 3.68Å; I6-L431 HydrophobicContact CG2-CG 3.87Å
7D91.1Very high79.4Confident73 Ų7380.4 Ų80.439%0.3942%0.42SS..  trans-100.2113.2170.7178.428.5000108.8Q5 D9 A427 K428Q5-D7 PolarHBondContact O-N 2.94Å; D7-D9 PolarHBondContact O-N 3.1Å; D7-A427 HydrophobicContact CB-CB 3.82Å; D7-A427 PolarHBondContact N-O 3.47Å; D7-K428 HydrophobicContact CB-CG 3.88Å; D7-K428 WeakPolarHBondContact OD2-CE 3.3Å; D7-K428 VanDerWaalsContact OD2-CG 3.24Å; D7-K428 WeakPolarHBondContact OD2-CG 3.38Å; D7-K428 IonicContact OD2-NZ 3.79Å; D7-K428 PolarHBondContact OD2-NZ 2.57Å
8W92.6Very high79.6Confident48 Ų4882.2 Ų82.218%0.18242%0.421CS..  trans-76.5117.7-174.6-177.7-88.6000111.3I13 L267 L270 Q271 I274 L431W8-I13 HydrophobicContact CD2-CD1 3.83Å; W8-I13 HydrophobicContact CE3-CD1 3.88Å; W8-I13 HydrophobicContact CH2-CD1 3.88Å; W8-I13 HydrophobicContact CZ2-CD1 3.81Å; W8-I13 HydrophobicContact CZ3-CD1 3.91Å; W8-L267 HydrophobicContact CH2-CB 4.28Å; W8-L267 HydrophobicContact CH2-CD2 4.25Å; W8-L267 WeakPolarHBondContact CH2-O 3.4Å; W8-L267 HydrophobicContact CZ2-CB 4.07Å; W8-L267 HydrophobicContact CZ2-CD2 4.48Å; W8-L270 HydrophobicContact CH2-CB 4.35Å; W8-L270 HydrophobicContact CH2-CD2 4.39Å; W8-L270 HydrophobicContact CH2-CG 4.45Å; W8-L270 HydrophobicContact CZ3-CB 4.46Å; W8-L270 HydrophobicContact CZ3-CD2 4.25Å; W8-L270 HydrophobicContact CZ3-CG 4.16Å; W8-Q271 HydrophobicContact CB-CG 4.41Å; W8-Q271 VanDerWaalsContact CD1-CD 3.45Å; W8-Q271 VanDerWaalsContact CD1-NE2 3.29Å; W8-Q271 HydrophobicContact CD2-CB 3.81Å; W8-Q271 HydrophobicContact CD2-CG 3.57Å; W8-Q271 HydrophobicContact CE3-CB 3.75Å; W8-Q271 HydrophobicContact CE3-CG 3.82Å; W8-Q271 HydrophobicContact CG-CG 3.83Å; W8-Q271 HydrophobicContact CH2-CB 3.73Å; W8-Q271 HydrophobicContact CZ2-CB 3.78Å; W8-Q271 HydrophobicContact CZ2-CG 4.36Å; W8-Q271 HydrophobicContact CZ3-CB 3.71Å; W8-Q271 HydrophobicContact CZ3-CG 4.32Å; W8-I274 HydrophobicContact CZ3-CD1 4.47Å; W8-L431 HydrophobicContact CE3-CD1 3.71Å; W8-L431 HydrophobicContact CZ3-CD1 3.77Å
9D94.2Very high79.6Confident39 Ų3984.3 Ų84.321%0.20944%0.444CS..  trans-124.996.8178.5-162.7-55.5000111.1D7 A11 L12 I13 K428D7-D9 PolarHBondContact O-N 3.1Å; D9-A11 VanDerWaalsContact C-N 3.29Å; D9-A11 PolarHBondContact O-N 3.05Å; D9-A11 PolarHBondContact OD1-N 3.37Å; D9-L12 HydrophobicContact CB-CB 4.13Å; D9-L12 HydrophobicContact CB-CD1 3.96Å; D9-L12 HydrophobicContact CB-CG 4.24Å; D9-L12 PolarHBondContact O-N 3.37Å; D9-L12 WeakPolarHBondContact OD1-CG 3.34Å; D9-L12 PolarHBondContact OD1-N 3.3Å; D9-L12 VanDerWaalsContact OD1-N 3.09Å; D9-I13 WeakPolarHBondContact O-CD1 3.4Å; D9-I13 VanDerWaalsContact O-CG1 3.23Å; D9-I13 WeakPolarHBondContact O-CG1 3.25Å; D9-I13 PolarHBondContact O-N 2.93Å; D9-K428 HydrophobicContact CB-CD 4.4Å; D9-K428 HydrophobicContact CB-CG 4.43Å; D9-K428 IonicContact OD2-NZ 3.74Å; D9-K428 PolarHBondContact OD2-NZ 3.3Å
10L92.3Very high79.9Confident60 Ų6082.1 Ų82.131%0.31444%0.443SS..Hα-helixtrans-61.4-37.1-174.9-176.762.3000112.5I13 Q14 L267L10-I13 PolarHBondContact O-N 3.47Å; L10-Q14 HydrophobicContact CD1-CG 4.18Å; L10-Q14 HydrophobicContact CG-CG 4.42Å; L10-Q14 WeakPolarHBondContact O-CB 2.8Å; L10-Q14 VanDerWaalsContact O-CG 3.3Å; L10-Q14 WeakPolarHBondContact O-CG 3.16Å; L10-Q14 PolarHBondContact O-N 2.99Å; L10-L267 HydrophobicContact CD1-CD1 3.73Å
11A94.2Very high80.2Confident68 Ų6879.5 Ų79.556%0.56243%0.43SS*.Hα-helixtrans-66.9-44.2-178.300000111.1D9 K15D9-A11 VanDerWaalsContact C-N 3.29Å; D9-A11 PolarHBondContact O-N 3.05Å; D9-A11 PolarHBondContact OD1-N 3.37Å; A11-K15 WeakPolarHBondContact O-CB 3.47Å; A11-K15 PolarHBondContact O-N 3.16Å
12L94.4Very high82.6Confident18 Ų1874.4 Ų74.49%0.09440%0.399CS..Hα-helixtrans-65.8-43.4175.2-68.6176.4000111.9D9 Q14 K15 Y16 D413 L415 K428 L432D9-L12 HydrophobicContact CB-CB 4.13Å; D9-L12 HydrophobicContact CB-CD1 3.96Å; D9-L12 HydrophobicContact CB-CG 4.24Å; D9-L12 PolarHBondContact O-N 3.37Å; D9-L12 WeakPolarHBondContact OD1-CG 3.34Å; D9-L12 PolarHBondContact OD1-N 3.3Å; D9-L12 VanDerWaalsContact OD1-N 3.09Å; L12-Q14 VanDerWaalsContact C-N 3.33Å; L12-Q14 PolarHBondContact O-N 3.11Å; L12-K15 PolarHBondContact O-N 2.74Å; L12-Y16 WeakPolarHBondContact O-CD2 3.42Å; L12-Y16 PolarHBondContact O-N 2.9Å; L12-D413 HydrophobicContact CD2-CB 3.79Å; L12-L415 HydrophobicContact CD1-CD1 3.85Å; L12-L415 HydrophobicContact CD2-CD1 4Å; L12-L415 HydrophobicContact CG-CD1 4.37Å; L12-K428 HydrophobicContact CD1-CB 4.38Å; L12-K428 HydrophobicContact CD1-CD 4.07Å; L12-L432 HydrophobicContact CB-CD1 4.26Å
13I91.6Very high85Confident19 Ų1969.4 Ų69.410%0.09736%0.363CS..Hα-helixtrans-59.8-45.4178.3-68164.3000110.7W8 D9 L10 Y16 N17 L267 L431W8-I13 HydrophobicContact CD2-CD1 3.83Å; W8-I13 HydrophobicContact CE3-CD1 3.88Å; W8-I13 HydrophobicContact CH2-CD1 3.88Å; W8-I13 HydrophobicContact CZ2-CD1 3.81Å; W8-I13 HydrophobicContact CZ3-CD1 3.91Å; D9-I13 WeakPolarHBondContact O-CD1 3.4Å; D9-I13 VanDerWaalsContact O-CG1 3.23Å; D9-I13 WeakPolarHBondContact O-CG1 3.25Å; D9-I13 PolarHBondContact O-N 2.93Å; L10-I13 PolarHBondContact O-N 3.47Å; I13-Y16 PolarHBondContact O-N 2.79Å; I13-N17 WeakPolarHBondContact O-CB 3.46Å; I13-N17 PolarHBondContact O-N 3.03Å; I13-N17 VanDerWaalsContact O-N 3.16Å; I13-L267 HydrophobicContact CG2-CD1 4.4Å; I13-L267 HydrophobicContact CG2-CD2 3.62Å; I13-L431 HydrophobicContact CD1-CD1 4.16Å
14Q89.7Confident86.7Confident101 Ų10169.5 Ų69.547%0.47236%0.363SS..Hα-helixtrans-65.8-41.3177.3-73.7177.6-14.100112.3L10 L12 Y16 N17 L267L10-Q14 HydrophobicContact CD1-CG 4.18Å; L10-Q14 HydrophobicContact CG-CG 4.42Å; L10-Q14 WeakPolarHBondContact O-CB 2.8Å; L10-Q14 VanDerWaalsContact O-CG 3.3Å; L10-Q14 WeakPolarHBondContact O-CG 3.16Å; L10-Q14 PolarHBondContact O-N 2.99Å; L12-Q14 VanDerWaalsContact C-N 3.33Å; L12-Q14 PolarHBondContact O-N 3.11Å; Q14-Y16 VanDerWaalsContact C-N 3.27Å; Q14-Y16 PolarHBondContact O-N 2.68Å; Q14-N17 PolarHBondContact O-N 3.37Å; Q14-L267 HydrophobicContact CG-CD1 4.4Å
15K91.7Very high88.6Confident123 Ų12364.3 Ų64.354%0.53534%0.34SS..Hα-helixtrans-59.2-37.7177.4179.2178.2-179.6177.60112.5A11 L12 D413A11-K15 WeakPolarHBondContact O-CB 3.47Å; A11-K15 PolarHBondContact O-N 3.16Å; L12-K15 PolarHBondContact O-N 2.74Å; K15-D413 VanDerWaalsContact CE-OD2 3.27Å; K15-D413 WeakPolarHBondContact CE-OD2 3.37Å; K15-D413 IonicContact NZ-OD1 2.98Å; K15-D413 PolarHBondContact NZ-OD1 2.81Å; K15-D413 IonicContact NZ-OD2 3.85Å; K15-D413 PolarHBondContact NZ-OD2 3.18Å
16Y91.3Very high89.8Confident19 Ų1957.9 Ų57.98%0.07531%0.31CS..THydrogen-bonded Turntrans-102.213.5-175-75.5-72.7000114.4L12 I13 Q14 Y18 L410 D413 L415 L432 N435L12-Y16 WeakPolarHBondContact O-CD2 3.42Å; L12-Y16 PolarHBondContact O-N 2.9Å; I13-Y16 PolarHBondContact O-N 2.79Å; Q14-Y16 VanDerWaalsContact C-N 3.27Å; Q14-Y16 PolarHBondContact O-N 2.68Å; Y16-Y18 VanDerWaalsContact C-N 3.31Å; Y16-Y18 AromaticContact CD1-CE1 3.8Å; Y16-Y18 HydrophobicContact CD1-CE1 3.8Å; Y16-Y18 PolarHBondContact O-N 2.94Å; Y16-L410 HydrophobicContact CE1-CD1 3.81Å; Y16-L410 HydrophobicContact CE1-CG 3.91Å; Y16-L410 WeakPolarHBondContact OH-CD1 3.49Å; Y16-D413 HydrophobicContact CE2-CB 4.47Å; Y16-D413 WeakPolarHBondContact CE2-OD2 3.47Å; Y16-D413 PolarHBondContact OH-OD2 3.05Å; Y16-L415 HydrophobicContact CD2-CD2 4.13Å; Y16-L415 HydrophobicContact CE2-CD1 4.19Å; Y16-L415 HydrophobicContact CE2-CD2 4.06Å; Y16-L432 HydrophobicContact CD2-CD1 4.06Å; Y16-L432 HydrophobicContact CG-CD1 4.37Å; Y16-N435 HydrophobicContact CD1-CB 4.47Å; Y16-N435 PolarHBondContact O-ND2 3.29Å
17N84.3Confident90.4Very high119 Ų11956.4 Ų56.464%0.63630%0.303SS*.  trans-79.769.4-179.6-172.320.4000112.9I13 Q14I13-N17 WeakPolarHBondContact O-CB 3.46Å; I13-N17 PolarHBondContact O-N 3.03Å; I13-N17 VanDerWaalsContact O-N 3.16Å; Q14-N17 PolarHBondContact O-N 3.37Å
18Y82.7Confident90.6Very high113 Ų11354 Ų5444%0.44329%0.291SS..  trans-126.7163.9172.753.1-100.3000112Y16 N435 M438Y16-Y18 VanDerWaalsContact C-N 3.31Å; Y16-Y18 AromaticContact CD1-CE1 3.8Å; Y16-Y18 HydrophobicContact CD1-CE1 3.8Å; Y16-Y18 PolarHBondContact O-N 2.94Å; Y18-N435 PolarHBondContact OH-ND2 3.05Å; Y18-M438 HydrophobicContact CD2-CE 4.24Å; Y18-M438 HydrophobicContact CE2-CE 3.66Å; Y18-M438 HydrophobicContact CE2-SD 4Å
19S81.2Confident90.6Very high122 Ų12253.4 Ų53.485%0.85330%0.296SS*.  trans-70.8137.3-177.2-66.50000111.7
20G84.6Confident90.5Very high41 Ų4157.8 Ų57.842%0.42332%0.319SS..  trans-153.8169.9176.900000112.2
21P86.5Confident90.8Very high27 Ų2757 Ų5718%0.17531%0.314CS..  trans-62.3149.9176.9-21.434.1000112.2Y23 T28 L444P21-Y23 HydrophobicContact CB-CD1 4.37Å; P21-Y23 HydrophobicContact CB-CD2 4.2Å; P21-Y23 HydrophobicContact CB-CE1 4.1Å; P21-Y23 HydrophobicContact CB-CE2 3.93Å; P21-Y23 HydrophobicContact CB-CG 4.4Å; P21-Y23 HydrophobicContact CG-CE1 4.34Å; P21-Y23 HydrophobicContact CG-CE2 4.2Å; P21-Y23 PolarHBondContact O-N 3.48Å; P21-T28 HydrophobicContact CB-CG2 4.05Å; P21-L444 HydrophobicContact CG-CD1 3.99Å
22R85.5Confident90.9Very high119 Ų11954.4 Ų54.445%0.44929%0.289SS..  trans-75.6-14.2172.7-69.3-169.1176.7-127.6-0.8113.3T24R22-T24 PolarHBondContact O-N 3.26Å
23Y92.8Very high91.1Very high8 Ų855.9 Ų55.93%0.03130%0.301CS..  trans47.943.3-173-65.1-70.2000113.1P21 S25 Y26 I374 I378 C437 M438 D441P21-Y23 HydrophobicContact CB-CD1 4.37Å; P21-Y23 HydrophobicContact CB-CD2 4.2Å; P21-Y23 HydrophobicContact CB-CE1 4.1Å; P21-Y23 HydrophobicContact CB-CE2 3.93Å; P21-Y23 HydrophobicContact CB-CG 4.4Å; P21-Y23 HydrophobicContact CG-CE1 4.34Å; P21-Y23 HydrophobicContact CG-CE2 4.2Å; P21-Y23 PolarHBondContact O-N 3.48Å; Y23-S25 PolarHBondContact O-N 3.39Å; Y23-Y26 HydrophobicContact CD1-CD2 4.34Å; Y23-Y26 HydrophobicContact CE1-CD2 4.04Å; Y23-I374 HydrophobicContact CD1-CD1 4.23Å; Y23-I374 HydrophobicContact CD1-CG2 4Å; Y23-I374 HydrophobicContact CE1-CD1 4.06Å; Y23-I374 HydrophobicContact CG-CG2 4.08Å; Y23-I378 VanDerWaalsContact CB-CD1 3.45Å; Y23-I378 HydrophobicContact CG-CD1 4.28Å; Y23-C437 HydrophobicContact CD2-CB 3.92Å; Y23-C437 HydrophobicContact CE2-CB 3.86Å; Y23-M438 HydrophobicContact CE2-CG 3.87Å; Y23-M438 WeakPolarHBondContact OH-CA 3.43Å; Y23-M438 WeakPolarHBondContact OH-CG 3.41Å; Y23-D441 HydrophobicContact CE1-CB 4.26Å; Y23-D441 VanDerWaalsContact CE1-OD2 3.26Å; Y23-D441 WeakPolarHBondContact CE1-OD2 3.42Å; Y23-D441 WeakPolarHBondContact OH-CB 3.41Å; Y23-D441 PolarHBondContact OH-OD2 3.27Å
24T88Confident91.5Very high51 Ų5161.2 Ų61.231%0.31333%0.325SS..SBendtrans-59.5-34.4166.1-500000110.6R22 F310R22-T24 PolarHBondContact O-N 3.26Å; T24-F310 HydrophobicContact CG2-CB 4.32Å; T24-F310 HydrophobicContact CG2-CD1 3.43Å; T24-F310 VanDerWaalsContact CG2-CD1 3.43Å; T24-F310 HydrophobicContact CG2-CE1 4.03Å; T24-F310 HydrophobicContact CG2-CG 4.15Å
25S94.9Very high91.9Very high12 Ų1263.6 Ų63.68%0.08434%0.341CS..SBendtrans-144.1160.9166.365.30000109.3Y23 P27 F310Y23-S25 PolarHBondContact O-N 3.39Å; S25-P27 CarbonylContact C-O 3.46Å; S25-P27 PolarHBondContact OG-O 3.36Å; S25-F310 VanDerWaalsContact OG-CZ 3.32Å; S25-F310 WeakPolarHBondContact OG-CZ 3.33Å
26Y97.7Very high92.2Very high5 Ų558.5 Ų58.52%0.0232%0.319CS..SBendtrans-126.6128.6161.6-177.5-88.5000108.6Y23 Y336 R370 R371 I374 D441 T442 Y443Y23-Y26 HydrophobicContact CD1-CD2 4.34Å; Y23-Y26 HydrophobicContact CE1-CD2 4.04Å; Y26-Y336 WeakPolarHBondContact O-CE2 3.35Å; Y26-Y336 PolarHBondContact O-OH 3.02Å; Y26-R370 HydrophobicContact CD1-CB 3.91Å; Y26-R370 HydrophobicContact CE1-CB 3.34Å; Y26-R370 HydrophobicContact CE1-CG 4.41Å; Y26-R370 WeakPolarHBondContact OH-CD 3.42Å; Y26-R371 HydrophobicContact CD1-CB 4.12Å; Y26-R371 WeakPolarHBondContact O-CG 3.49Å; Y26-I374 HydrophobicContact CD1-CD1 4.32Å; Y26-I374 HydrophobicContact CD2-CD1 3.43Å; Y26-I374 VanDerWaalsContact CD2-CD1 3.43Å; Y26-I374 HydrophobicContact CE2-CD1 3.92Å; Y26-I374 HydrophobicContact CG-CD1 3.64Å; Y26-D441 HydrophobicContact CE2-CB 4.12Å; Y26-T442 PolarHBondContact OH-N 2.91Å; Y26-T442 PolarHBondContact OH-OG1 3.13Å; Y26-Y443 HydrophobicContact CE2-CD2 4.17Å
27P97.6Very high92.5Very high0 Ų059.2 Ų59.20%033%0.332CS..SBendcis-60.1165.2-8.7-23.136.1000113S25 E31 I361 L363 D367 Y443S25-P27 CarbonylContact C-O 3.46Å; S25-P27 PolarHBondContact OG-O 3.36Å; P27-E31 HydrophobicContact CB-CB 4.15Å; P27-E31 HydrophobicContact CB-CG 4.04Å; P27-I361 HydrophobicContact CB-CD1 4.36Å; P27-I361 HydrophobicContact CG-CD1 4.14Å; P27-L363 HydrophobicContact CG-CG 4.35Å; P27-D367 HydrophobicContact CG-CB 3.99Å; P27-D367 WeakPolarHBondContact CG-OD1 3.48Å; P27-Y443 HydrophobicContact CB-CD2 4.24Å; P27-Y443 HydrophobicContact CB-CE2 3.69Å; P27-Y443 HydrophobicContact CG-CE2 3.63Å
28T95.1Very high93.2Very high23 Ų2356.5 Ų56.514%0.14132%0.316CS..  trans-80.1163.2179.977.20000111.3P21 L30 E31P21-T28 HydrophobicContact CB-CG2 4.05Å; T28-L30 PolarHBondContact O-N 3.03Å; T28-L30 WeakPolarHBondContact OG1-CB 3.37Å; T28-L30 PolarHBondContact OG1-N 3.46Å; T28-E31 PolarHBondContact O-N 2.95Å
29A93.2Very high94Very high35 Ų3557.5 Ų57.529%0.28933%0.325SS..THydrogen-bonded Turntrans-62.3-4.4175.800000115E31 F32 R359A29-E31 VanDerWaalsContact C-N 3.27Å; A29-F32 HydrophobicContact CB-CD2 4.24Å; A29-F32 HydrophobicContact CB-CE1 4.48Å; A29-F32 HydrophobicContact CB-CE2 4.05Å; A29-F32 HydrophobicContact CB-CZ 4.17Å; A29-R359 PolarHBondContact O-NH1 2.8Å; A29-R359 PolarHBondContact O-NH2 2.96Å
30L92.5Very high94.8Very high131 Ų13153 Ų5369%0.68630%0.295SS*.THydrogen-bonded Turntrans-71.9-23.5169.9-63.3176.2000112.4T28T28-L30 PolarHBondContact O-N 3.03Å; T28-L30 WeakPolarHBondContact OG1-CB 3.37Å; T28-L30 PolarHBondContact OG1-N 3.46Å
31E96.8Very high95.5Very high44 Ų4451.4 Ų51.421%0.20628%0.277CS..SBendtrans-95.22.8-177.2-45.3-49.4137.900112.1P27 T28 A29 S33 I361 Y443 K447P27-E31 HydrophobicContact CB-CB 4.15Å; P27-E31 HydrophobicContact CB-CG 4.04Å; T28-E31 PolarHBondContact O-N 2.95Å; A29-E31 VanDerWaalsContact C-N 3.27Å; E31-S33 PolarHBondContact O-N 3.11Å; E31-I361 HydrophobicContact CB-CD1 4.04Å; E31-Y443 HydrophobicContact CB-CD1 4.39Å; E31-Y443 HydrophobicContact CB-CE1 4.14Å; E31-Y443 HydrophobicContact CG-CD1 3.49Å; E31-Y443 VanDerWaalsContact CG-CD1 3.49Å; E31-Y443 HydrophobicContact CG-CD2 4.33Å; E31-Y443 HydrophobicContact CG-CE1 3.69Å; E31-Y443 HydrophobicContact CG-CG 3.83Å; E31-Y443 VanDerWaalsContact OE2-CD1 3.26Å; E31-Y443 WeakPolarHBondContact OE2-CD1 3.4Å; E31-K447 IonicContact OE1-NZ 3.54Å; E31-K447 PolarHBondContact OE1-NZ 3.3Å; E31-K447 IonicContact OE2-NZ 2.75Å
32F97.9Very high96.1Very high13 Ų1352.8 Ų52.86%0.05728%0.282CS..  trans-72.5125.5176.1-67.16.3000109.6A29 F310 I329 Y336 Q338 R359 G360 I361A29-F32 HydrophobicContact CB-CD2 4.24Å; A29-F32 HydrophobicContact CB-CE1 4.48Å; A29-F32 HydrophobicContact CB-CE2 4.05Å; A29-F32 HydrophobicContact CB-CZ 4.17Å; F32-F310 HydrophobicContact CZ-CZ 4.43Å; F32-I329 HydrophobicContact CE2-CD1 4.39Å; F32-I329 HydrophobicContact CE2-CG2 4.26Å; F32-I329 HydrophobicContact CZ-CG2 4.39Å; F32-Y336 AromaticContact CE1-CD2 3.8Å; F32-Y336 HydrophobicContact CE1-CD2 3.8Å; F32-Y336 HydrophobicContact CE1-CG 4.16Å; F32-Y336 VanDerWaalsContact CZ-CB 3.5Å; F32-Y336 HydrophobicContact CZ-CD2 4.16Å; F32-Y336 HydrophobicContact CZ-CG 4.17Å; F32-Q338 HydrophobicContact CD2-CB 4Å; F32-Q338 HydrophobicContact CE2-CB 4.06Å; F32-R359 HydrophobicContact CB-CB 4.31Å; F32-R359 HydrophobicContact CB-CG 3.92Å; F32-R359 HydrophobicContact CD2-CG 4.37Å; F32-G360 CarbonylContact C-O 3.32Å; F32-G360 WeakPolarHBondContact CA-O 3.44Å; F32-I361 HydrophobicContact CD1-CB 4.4Å; F32-I361 HydrophobicContact CD1-CG2 3.67Å; F32-I361 HydrophobicContact CE1-CG2 3.78Å
33S98.4Very high96.7Very high48 Ų4852.8 Ų52.834%0.33629%0.287SS..BIsolated β-bridgetrans-105.9144.8176.3-175.60000111.5E31 D35 F36 R359 G360E31-S33 PolarHBondContact O-N 3.11Å; S33-D35 PolarHBondContact O-N 3.31Å; S33-D35 WeakPolarHBondContact OG-CB 3.27Å; S33-D35 VanDerWaalsContact OG-CG 3.32Å; S33-D35 PolarHBondContact OG-N 2.86Å; S33-D35 VanDerWaalsContact OG-N 3.11Å; S33-D35 PolarHBondContact OG-OD2 3.49Å; S33-F36 PolarHBondContact O-N 3.17Å; S33-R359 CarbonylContact O-C 3.37Å; S33-R359 WeakPolarHBondContact O-CA 3.4Å; S33-R359 VanDerWaalsContact O-CB 3.29Å; S33-R359 WeakPolarHBondContact O-CB 3.44Å; S33-G360 PolarHBondContact N-O 3.1Å; S33-G360 PolarHBondContact O-N 2.95Å
34E98.4Very high97Very high131 Ų13152.5 Ų52.561%0.61229%0.286SS*.THydrogen-bonded Turntrans-67.6-13.1169.7-61.2-172.8-169.100112.2F36 W358 R359E34-F36 PolarHBondContact O-N 3.31Å; E34-W358 PolarHBondContact OE1-NE1 3.35Å; E34-R359 HydrophobicContact CG-CB 4.16Å
35D98.3Very high97.5Very high151 Ų15150.7 Ų50.781%0.80728%0.275SS*.THydrogen-bonded Turntrans-69.4-17.8173.9-57.2-45000113S33 G37S33-D35 PolarHBondContact O-N 3.31Å; S33-D35 WeakPolarHBondContact OG-CB 3.27Å; S33-D35 VanDerWaalsContact OG-CG 3.32Å; S33-D35 PolarHBondContact OG-N 2.86Å; S33-D35 VanDerWaalsContact OG-N 3.11Å; S33-D35 PolarHBondContact OG-OD2 3.49Å; D35-G37 PolarHBondContact O-N 3.49Å
36F98.7Very high97.7Very high16 Ų1653.7 Ų53.77%0.0730%0.301CS..  trans-73.594.5174.3-172.7-82000109.7S33 E34 A40 F41 C335 A337 L357 G360 A362S33-F36 PolarHBondContact O-N 3.17Å; E34-F36 PolarHBondContact O-N 3.31Å; F36-A40 HydrophobicContact CD1-CB 4.37Å; F36-A40 HydrophobicContact CD2-CB 3.77Å; F36-A40 HydrophobicContact CE1-CB 4.12Å; F36-A40 HydrophobicContact CE2-CB 3.51Å; F36-A40 HydrophobicContact CG-CB 4.2Å; F36-A40 HydrophobicContact CZ-CB 3.69Å; F36-F41 HydrophobicContact CE1-CB 4.07Å; F36-C335 HydrophobicContact CE2-CB 3.98Å; F36-C335 HydrophobicContact CZ-CB 3.85Å; F36-A337 HydrophobicContact CD1-CB 4.46Å; F36-A337 HydrophobicContact CE1-CB 3.94Å; F36-L357 HydrophobicContact CD1-CD1 4.33Å; F36-G360 VanDerWaalsContact CB-C 3.47Å; F36-A362 HydrophobicContact CE2-CB 4.14Å
37G98.3Very high97.7Very high34 Ų3458.4 Ų58.435%0.35132%0.319SS..  trans-97.4-174.2-178.700000115.1D35 Q39 A40 F41D35-G37 PolarHBondContact O-N 3.49Å; G37-Q39 VanDerWaalsContact C-N 3.33Å; G37-Q39 PolarHBondContact O-N 2.96Å; G37-A40 WeakPolarHBondContact O-CB 3.36Å; G37-A40 PolarHBondContact O-N 3.29Å; G37-A40 VanDerWaalsContact O-N 3.07Å; G37-F41 PolarHBondContact O-N 3.21Å
38E98.5Very high97.8Very high63 Ų6361.4 Ų61.429%0.29433%0.33SS..Hα-helixtrans-56.6-40.1-173.2-176.559.7-163.600113.9A40 F41 L42 R96E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 2.87Å; E38-F41 WeakPolarHBondContact O-CB 3.45Å; E38-F41 PolarHBondContact O-N 3.35Å; E38-F41 VanDerWaalsContact O-N 3.15Å; E38-L42 HydrophobicContact CG-CD1 4.24Å; E38-L42 HydrophobicContact CG-CG 4.39Å; E38-L42 WeakPolarHBondContact O-CG 3.38Å; E38-L42 PolarHBondContact O-N 2.92Å; E38-R96 IonicContact OE1-CZ 3.6Å; E38-R96 IonicContact OE1-NH1 2.89Å; E38-R96 PolarHBondContact OE1-NH1 3.37Å; E38-R96 IonicContact OE1-NH2 3.18Å; E38-R96 IonicContact OE2-CZ 3.33Å; E38-R96 IonicContact OE2-NH1 3.1Å; E38-R96 PolarHBondContact OE2-NH1 3.37Å; E38-R96 IonicContact OE2-NH2 3.79Å; E38-R96 PolarHBondContact OE2-NH2 2.86Å
39Q98.6Very high97.9Very high134 Ų13464 Ų6463%0.62635%0.348SS*.Hα-helixtrans-62.8-37.1179-68.9-60.2-4900112.5G37 F41 L42 Q43G37-Q39 VanDerWaalsContact C-N 3.33Å; G37-Q39 PolarHBondContact O-N 2.96Å; Q39-F41 VanDerWaalsContact C-N 3.35Å; Q39-L42 PolarHBondContact O-N 2.82Å; Q39-Q43 WeakPolarHBondContact O-CB 3.33Å; Q39-Q43 VanDerWaalsContact O-CG 3.27Å; Q39-Q43 WeakPolarHBondContact O-CG 3.39Å; Q39-Q43 PolarHBondContact O-N 3Å
40A98.8Very high98.1Very high28 Ų2868.6 Ų68.623%0.23136%0.363CS..Hα-helixtrans-69.1-36.5176.300000111.3F36 G37 E38 A44F36-A40 HydrophobicContact CD1-CB 4.37Å; F36-A40 HydrophobicContact CD2-CB 3.77Å; F36-A40 HydrophobicContact CE1-CB 4.12Å; F36-A40 HydrophobicContact CE2-CB 3.51Å; F36-A40 HydrophobicContact CG-CB 4.2Å; F36-A40 HydrophobicContact CZ-CB 3.69Å; G37-A40 WeakPolarHBondContact O-CB 3.36Å; G37-A40 PolarHBondContact O-N 3.29Å; G37-A40 VanDerWaalsContact O-N 3.07Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 2.87Å; A40-A44 WeakPolarHBondContact O-CB 3.34Å; A40-A44 PolarHBondContact O-N 3.47Å
41F98.9Very high98.4Very high7 Ų764.5 Ų64.53%0.03134%0.339CS..Hα-helixtrans-62.8-48.1173-174.5-94.8000111.7F36 G37 E38 Q39 Q43 A44 V45 L99 L322 I332 A337 L357F36-F41 HydrophobicContact CE1-CB 4.07Å; G37-F41 PolarHBondContact O-N 3.21Å; E38-F41 WeakPolarHBondContact O-CB 3.45Å; E38-F41 PolarHBondContact O-N 3.35Å; E38-F41 VanDerWaalsContact O-N 3.15Å; Q39-F41 VanDerWaalsContact C-N 3.35Å; F41-Q43 VanDerWaalsContact C-N 3.34Å; F41-Q43 PolarHBondContact O-N 2.88Å; F41-A44 WeakPolarHBondContact O-CA 3.48Å; F41-A44 VanDerWaalsContact O-CB 3.3Å; F41-A44 WeakPolarHBondContact O-CB 3.29Å; F41-A44 PolarHBondContact O-N 3.45Å; F41-V45 HydrophobicContact CD1-CG2 4.07Å; F41-V45 HydrophobicContact CE1-CG2 3.7Å; F41-V45 HydrophobicContact CZ-CG2 4.1Å; F41-V45 WeakPolarHBondContact O-CG2 3.44Å; F41-V45 PolarHBondContact O-N 3.19Å; F41-L99 HydrophobicContact CE1-CD1 4.28Å; F41-L322 HydrophobicContact CZ-CD1 4.06Å; F41-I332 HydrophobicContact CE2-CD1 4.1Å; F41-I332 HydrophobicContact CZ-CD1 4.02Å; F41-A337 HydrophobicContact CD2-CB 3.83Å; F41-A337 HydrophobicContact CE2-CB 4.15Å; F41-L357 HydrophobicContact CB-CD2 3.89Å; F41-L357 HydrophobicContact CG-CD2 4.47Å
42L98.8Very high98.4Very high55 Ų5565.3 Ų65.329%0.28835%0.347SS..Hα-helixtrans-62.1-39.7178-65.2176.7000112.4E38 Q39 A44 V45 A46 L99E38-L42 HydrophobicContact CG-CD1 4.24Å; E38-L42 HydrophobicContact CG-CG 4.39Å; E38-L42 WeakPolarHBondContact O-CG 3.38Å; E38-L42 PolarHBondContact O-N 2.92Å; Q39-L42 PolarHBondContact O-N 2.82Å; L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.2Å; L42-V45 PolarHBondContact O-N 2.87Å; L42-A46 PolarHBondContact O-N 2.76Å; L42-A46 VanDerWaalsContact O-N 3.09Å; L42-L99 HydrophobicContact CD2-CD1 3.71Å; L42-L99 HydrophobicContact CD2-CD2 3.92Å; L42-L99 HydrophobicContact CD2-CG 4.48Å
43Q98.8Very high98.5Very high120 Ų12064.7 Ų64.756%0.56135%0.345SS*.Hα-helixtrans-61.8-37.3172.7-74.7175.3600112.4Q39 F41 R47Q39-Q43 WeakPolarHBondContact O-CB 3.33Å; Q39-Q43 VanDerWaalsContact O-CG 3.27Å; Q39-Q43 WeakPolarHBondContact O-CG 3.39Å; Q39-Q43 PolarHBondContact O-N 3Å; F41-Q43 VanDerWaalsContact C-N 3.34Å; F41-Q43 PolarHBondContact O-N 2.88Å; Q43-R47 PolarHBondContact O-N 3.31Å
44A98.8Very high98.5Very high1 Ų162.4 Ų62.41%0.00833%0.329CS..Hα-helixtrans-66.4-46.417700000111.4A40 F41 L42 A46 R47 I332 C335A40-A44 WeakPolarHBondContact O-CB 3.34Å; A40-A44 PolarHBondContact O-N 3.47Å; F41-A44 WeakPolarHBondContact O-CA 3.48Å; F41-A44 VanDerWaalsContact O-CB 3.3Å; F41-A44 WeakPolarHBondContact O-CB 3.29Å; F41-A44 PolarHBondContact O-N 3.45Å; L42-A44 VanDerWaalsContact C-N 3.29Å; L42-A44 PolarHBondContact O-N 3.2Å; A44-A46 VanDerWaalsContact C-N 3.27Å; A44-A46 PolarHBondContact O-N 3.38Å; A44-R47 VanDerWaalsContact O-CB 3.3Å; A44-R47 WeakPolarHBondContact O-CB 3.36Å; A44-R47 PolarHBondContact O-N 3.44Å; A44-R47 VanDerWaalsContact O-N 3.11Å; A44-I332 HydrophobicContact CB-CG2 4.43Å; A44-I332 WeakPolarHBondContact CB-O 3.44Å; A44-C335 HydrophobicContact CB-CB 3.78Å
45V98.8Very high98.5Very high14 Ų1456.1 Ų56.19%0.08530%0.3CS..Hα-helixtrans-58.9-39.2177.2175.50000111.9F41 L42 R47 L99 F100 I332F41-V45 HydrophobicContact CD1-CG2 4.07Å; F41-V45 HydrophobicContact CE1-CG2 3.7Å; F41-V45 HydrophobicContact CZ-CG2 4.1Å; F41-V45 WeakPolarHBondContact O-CG2 3.44Å; F41-V45 PolarHBondContact O-N 3.19Å; L42-V45 PolarHBondContact O-N 2.87Å; V45-R47 VanDerWaalsContact C-N 3.26Å; V45-R47 PolarHBondContact O-N 3.02Å; V45-L99 HydrophobicContact CG1-CB 4.15Å; V45-F100 HydrophobicContact CG1-CD1 4.35Å; V45-F100 HydrophobicContact CG1-CE1 3.9Å; V45-F100 HydrophobicContact CG1-CZ 4.05Å; V45-F100 HydrophobicContact CG2-CE1 4.11Å; V45-F100 HydrophobicContact CG2-CE2 4.48Å; V45-F100 HydrophobicContact CG2-CZ 3.68Å; V45-I332 HydrophobicContact CB-CG2 4.49Å; V45-I332 HydrophobicContact CG2-CD1 4.41Å; V45-I332 HydrophobicContact CG2-CG2 4.1Å
46A98.6Very high98.5Very high75 Ų7550.1 Ų50.162%0.6227%0.266SS*.THydrogen-bonded Turntrans-74.8-9.4-179.900000114.4L42 A44L42-A46 PolarHBondContact O-N 2.76Å; L42-A46 VanDerWaalsContact O-N 3.09Å; A44-A46 VanDerWaalsContact C-N 3.27Å; A44-A46 PolarHBondContact O-N 3.38Å
47R98.6Very high98.5Very high104 Ų10449.4 Ų49.439%0.39226%0.262SS..THydrogen-bonded Turntrans-72.3-40.9-169.4-174.2166-75.9131.64.5113.7Q43 A44 V45 G333Q43-R47 PolarHBondContact O-N 3.31Å; A44-R47 VanDerWaalsContact O-CB 3.3Å; A44-R47 WeakPolarHBondContact O-CB 3.36Å; A44-R47 PolarHBondContact O-N 3.44Å; A44-R47 VanDerWaalsContact O-N 3.11Å; V45-R47 VanDerWaalsContact C-N 3.26Å; V45-R47 PolarHBondContact O-N 3.02Å; R47-G333 WeakPolarHBondContact CD-O 3.49Å; R47-G333 PolarHBondContact NH1-O 3.48Å
48Y98.2Very high98.6Very high62 Ų6248.1 Ų48.124%0.24325%0.248CC..  trans-134.172-177.9-57.1-62.8000111.2E50 R51 R103 D334Y48-E50 PolarHBondContact O-N 3.04Å; Y48-R51 VanDerWaalsContact CE2-NH1 3.3Å; Y48-R51 VanDerWaalsContact CE2-NH2 3.33Å; Y48-R51 HydrophobicContact CG-CG 4.4Å; Y48-R51 PolarHBondContact O-N 3.25Å; Y48-R103 PolarHBondContact O-NH2 2.86Å; Y48-D334 WeakPolarHBondContact CE2-OD2 3.4Å; Y48-D334 PolarHBondContact OH-OD2 3.21Å
49P97.9Very high98.6Very high78 Ų7845.1 Ų45.151%0.50623%0.233SC..THydrogen-bonded Turntrans-59.8-19.8-177.525.6-34.9000113.6R103P49-R103 WeakPolarHBondContact O-CD 3.49Å; P49-R103 PolarHBondContact O-NE 3.05Å; P49-R103 PolarHBondContact O-NH1 2.87Å
50E97.6Very high98.6Very high132 Ų13238.8 Ų38.862%0.61720%0.204SC*.THydrogen-bonded Turntrans-86.6-24.6-177.872.7-68.9161.900115.8Y48Y48-E50 PolarHBondContact O-N 3.04Å
51R98Very high98.6Very high45 Ų4537.4 Ų37.417%0.1719%0.193CC..SBendtrans-64.3135.7-171.2-85.9-174.5179.3166.25.2113.2Y48 R103 D318 D320Y48-R51 VanDerWaalsContact CE2-NH1 3.3Å; Y48-R51 VanDerWaalsContact CE2-NH2 3.33Å; Y48-R51 HydrophobicContact CG-CG 4.4Å; Y48-R51 PolarHBondContact O-N 3.25Å; R51-R103 PolarHBondContact O-NH1 2.98Å; R51-R103 PolarHBondContact O-NH2 3.33Å; R51-D318 WeakPolarHBondContact CB-O 3.09Å; R51-D318 VanDerWaalsContact CD-O 3.32Å; R51-D318 WeakPolarHBondContact CD-O 3.41Å; R51-D318 WeakPolarHBondContact CG-O 3.25Å; R51-D320 IonicContact NH1-OD1 3.12Å
52P98.3Very high98.5Very high60 Ų6037.6 Ų37.639%0.3920%0.195SC..PPolyproline II helixtrans-54.6149.3177.5-21.732.1000113.9T319 D320P52-T319 HydrophobicContact CB-CG2 3.97Å; P52-T319 WeakPolarHBondContact O-CA 3.26Å; P52-T319 WeakPolarHBondContact O-CB 3.34Å; P52-D320 PolarHBondContact O-N 2.87Å
53L98.7Very high98.4Very high0 Ų036.4 Ų36.40%019%0.188CC..EExtended strand (participates in β ladder)trans-98.9130.8-178-172.865.3000110.6L55 F100 R103 H104 V105 S106 F134 D320 L322L53-L55 HydrophobicContact CD2-CD2 3.82Å; L53-L55 HydrophobicContact CG-CD2 3.92Å; L53-F100 HydrophobicContact CD1-CD1 3.78Å; L53-F100 HydrophobicContact CD1-CE1 3.97Å; L53-F100 HydrophobicContact CD2-CB 3.84Å; L53-F100 HydrophobicContact CD2-CD1 3.88Å; L53-F100 HydrophobicContact CD2-CG 3.95Å; L53-R103 HydrophobicContact CB-CB 4.21Å; L53-R103 HydrophobicContact CD2-CB 4.22Å; L53-H104 PolarHBondContact N-O 3.46Å; L53-V105 HydrophobicContact CB-CG2 4.36Å; L53-V105 HydrophobicContact CD2-CG2 4.05Å; L53-V105 HydrophobicContact CG-CG2 4.41Å; L53-V105 CarbonylContact O-C 3.57Å; L53-V105 VanDerWaalsContact O-CA 3.26Å; L53-V105 WeakPolarHBondContact O-CA 3.26Å; L53-S106 PolarHBondContact O-N 2.79Å; L53-F134 HydrophobicContact CD2-CD1 4Å; L53-F134 HydrophobicContact CD2-CE1 4.16Å; L53-D320 HydrophobicContact CD1-CB 4.25Å; L53-L322 HydrophobicContact CD1-CB 4.28Å
54S98.7Very high98.2Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-108137.4168.4-177.80000109.2Q107 D320 L321 L322S54-Q107 CarbonylContact C-O 3.48Å; S54-Q107 WeakPolarHBondContact CA-O 3.4Å; S54-Q107 PolarHBondContact OG-NE2 3.09Å; S54-D320 PolarHBondContact N-O 2.86Å; S54-L321 CarbonylContact O-C 3.25Å; S54-L321 VanDerWaalsContact O-CA 3.32Å; S54-L321 WeakPolarHBondContact O-CA 3.22Å; S54-L321 VanDerWaalsContact OG-CD1 3.3Å; S54-L321 WeakPolarHBondContact OG-CD1 3.36Å; S54-L322 PolarHBondContact O-N 3.36Å
55L98.8Very high98.1Very high0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-111.7134.8178.3-59.8-175.4000110.3L53 V105 Q107 L108 H109 L130 F134 F136 L322 M324L53-L55 HydrophobicContact CD2-CD2 3.82Å; L53-L55 HydrophobicContact CG-CD2 3.92Å; L55-V105 HydrophobicContact CD1-CG1 4.02Å; L55-V105 HydrophobicContact CD1-CG2 3.88Å; L55-V105 HydrophobicContact CG-CG1 3.95Å; L55-V105 HydrophobicContact CG-CG2 4.07Å; L55-Q107 PolarHBondContact N-O 2.9Å; L55-L108 HydrophobicContact CB-CD1 3.65Å; L55-L108 CarbonylContact O-C 3.5Å; L55-L108 WeakPolarHBondContact O-CA 3.45Å; L55-H109 PolarHBondContact O-N 3.47Å; L55-L130 HydrophobicContact CD1-CD2 4.31Å; L55-F134 HydrophobicContact CD1-CB 4.33Å; L55-F134 HydrophobicContact CD1-CD1 4.37Å; L55-F134 HydrophobicContact CD1-CD2 3.84Å; L55-F134 HydrophobicContact CD1-CE2 4.18Å; L55-F134 HydrophobicContact CD1-CG 3.94Å; L55-F134 HydrophobicContact CD2-CD1 4.37Å; L55-F134 HydrophobicContact CD2-CE1 4.13Å; L55-F134 HydrophobicContact CD2-CZ 4.28Å; L55-F136 HydrophobicContact CD1-CE2 4.39Å; L55-F136 HydrophobicContact CD1-CZ 4.02Å; L55-L322 HydrophobicContact CD2-CB 3.92Å; L55-L322 HydrophobicContact CD2-CD2 4.13Å; L55-L322 HydrophobicContact CD2-CG 4.48Å; L55-M324 HydrophobicContact CB-CE 4.25Å; L55-M324 HydrophobicContact CD1-CE 4.32Å; L55-M324 HydrophobicContact CD2-CE 4.01Å; L55-M324 HydrophobicContact CG-CE 4.43Å
56Y98.8Very high98.1Very high25 Ų2535.9 Ų35.910%0.09819%0.185CC..EExtended strand (participates in β ladder)trans-120132.1168.1172.7-104.2000109.7H58 H109 Q311 L322 G323 M324 A328Y56-H58 HydrophobicContact CE1-CB 3.76Å; Y56-H58 AromaticContact CE1-ND1 4Å; Y56-H58 AromaticContact CZ-ND1 3.78Å; Y56-H58 PolarHBondContact OH-ND1 3.45Å; Y56-H109 WeakPolarHBondContact CA-O 3.41Å; Y56-H109 HydrophobicContact CD2-CB 4.44Å; Y56-H109 AromaticContact CD2-CD2 3.87Å; Y56-H109 AromaticContact CE2-CD2 3.86Å; Y56-Q311 VanDerWaalsContact CD2-OE1 3.24Å; Y56-L322 PolarHBondContact N-O 3.37Å; Y56-G323 CarbonylContact O-C 3.57Å; Y56-G323 WeakPolarHBondContact O-CA 3.47Å; Y56-M324 PolarHBondContact O-N 3.49Å; Y56-A328 HydrophobicContact CD1-CB 3.92Å; Y56-A328 HydrophobicContact CE1-CB 4.01Å
57V98.9Very high98.1Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-119.9122.9171.3-172.30000109.4I59 L89 L108 H109 W110 G111 L126 L130 M324V57-I59 HydrophobicContact CG1-CD1 3.9Å; V57-L89 HydrophobicContact CG1-CD1 3.92Å; V57-L89 HydrophobicContact CG1-CD2 4.09Å; V57-L108 HydrophobicContact CG2-CD1 4.25Å; V57-H109 PolarHBondContact N-O 3.42Å; V57-W110 HydrophobicContact CB-CG 4.35Å; V57-W110 WeakPolarHBondContact O-CA 3.41Å; V57-G111 PolarHBondContact O-N 3.33Å; V57-G111 VanDerWaalsContact O-N 3.14Å; V57-L126 HydrophobicContact CG1-CD2 4.16Å; V57-L130 HydrophobicContact CG2-CD1 4.21Å; V57-L130 HydrophobicContact CG2-CD2 4.4Å; V57-M324 WeakPolarHBondContact CA-O 3.29Å; V57-M324 HydrophobicContact CG2-CE 4.16Å
58H98.8Very high98.1Very high8 Ų830.5 Ų30.54%0.03715%0.15CC..EExtended strand (participates in β ladder)trans-85.9120.2174.8-163.682.5000110.5Y56 N72 Y85 G111 G112 M324 V326 A328Y56-H58 HydrophobicContact CE1-CB 3.76Å; Y56-H58 AromaticContact CE1-ND1 4Å; Y56-H58 AromaticContact CZ-ND1 3.78Å; Y56-H58 PolarHBondContact OH-ND1 3.45Å; H58-N72 PolarHBondContact CE1-O 3.3Å; H58-N72 PolarHBondContact NE2-O 3.13Å; H58-Y85 VanDerWaalsContact O-CE1 3.28Å; H58-Y85 WeakPolarHBondContact O-CE1 3.37Å; H58-Y85 PolarHBondContact O-OH 3.14Å; H58-G111 WeakPolarHBondContact CA-O 3.41Å; H58-G112 WeakPolarHBondContact CE1-CA 3.45Å; H58-G112 WeakPolarHBondContact ND1-CA 3.32Å; H58-M324 PolarHBondContact N-O 2.67Å; H58-V326 WeakPolarHBondContact CB-O 3.36Å; H58-V326 PolarHBondContact CD2-O 3.02Å; H58-A328 HydrophobicContact CB-CB 4.27Å
59I98.8Very high98Very high0 Ų028.5 Ų28.50%014%0.144CC..EExtended strand (participates in β ladder)trans-108.9104.7171.8-54.6-56.9000108.6V57 F61 Y85 L89 G111 G113 T114 P115 L118 L126V57-I59 HydrophobicContact CG1-CD1 3.9Å; I59-F61 PolarHBondContact O-N 3.39Å; I59-Y85 HydrophobicContact CD1-CD1 4.47Å; I59-Y85 HydrophobicContact CD1-CE1 4.01Å; I59-L89 HydrophobicContact CD1-CD1 4.2Å; I59-G111 PolarHBondContact N-O 3.34Å; I59-G113 WeakPolarHBondContact O-CA 3.42Å; I59-G113 PolarHBondContact O-N 2.98Å; I59-T114 PolarHBondContact O-N 3.36Å; I59-P115 HydrophobicContact CB-CB 4.4Å; I59-P115 HydrophobicContact CB-CG 4.42Å; I59-P115 HydrophobicContact CG1-CB 4.3Å; I59-L118 HydrophobicContact CD1-CD1 4.06Å; I59-L118 HydrophobicContact CG1-CD1 4.36Å; I59-L118 HydrophobicContact CG2-CD2 4.35Å; I59-L118 HydrophobicContact CG2-CG 4.19Å; I59-L126 HydrophobicContact CD1-CD2 3.99Å
60P98.5Very high97.8Very high0 Ų026.4 Ų26.40%014%0.137CC..  trans-80.4-15.8-165.832-37.4000113.7K73 I74 Y85 V326P60-K73 CarbonylContact O-C 3.56Å; P60-K73 WeakPolarHBondContact O-CA 3.4Å; P60-K73 WeakPolarHBondContact O-CB 3.46Å; P60-I74 HydrophobicContact CB-CD1 4.24Å; P60-I74 HydrophobicContact CB-CG1 4.37Å; P60-I74 HydrophobicContact CG-CD1 4.43Å; P60-I74 PolarHBondContact O-N 3.19Å; P60-Y85 VanDerWaalsContact CD-CE1 3.48Å; P60-Y85 HydrophobicContact CG-CE1 4.37Å; P60-Y85 HydrophobicContact CG-CE2 4.24Å; P60-V326 HydrophobicContact CB-CG1 3.71Å; P60-V326 HydrophobicContact CG-CG1 3.71Å
61F98.6Very high97.7Very high0 Ų023.7 Ų23.70%013%0.132CC..EExtended strand (participates in β ladder)trans-78.9142-166.4-55.2-64000113.2I59 I74 T76 K81 Y85 T114 Y117 L343I59-F61 PolarHBondContact O-N 3.39Å; F61-I74 CarbonylContact C-O 3.58Å; F61-I74 WeakPolarHBondContact CA-O 3.39Å; F61-I74 HydrophobicContact CD1-CB 4.19Å; F61-I74 HydrophobicContact CD1-CG2 4.25Å; F61-I74 HydrophobicContact CE1-CG2 4.4Å; F61-T76 HydrophobicContact CB-CG2 4.49Å; F61-T76 HydrophobicContact CD1-CG2 3.63Å; F61-T76 HydrophobicContact CE1-CG2 4.32Å; F61-T76 HydrophobicContact CG-CG2 4.37Å; F61-K81 HydrophobicContact CE1-CB 4Å; F61-K81 HydrophobicContact CZ-CB 4.03Å; F61-K81 WeakPolarHBondContact CZ-O 3.41Å; F61-Y85 VanDerWaalsContact CE2-CB 3.48Å; F61-Y85 AromaticContact CE2-CD1 3.97Å; F61-Y85 HydrophobicContact CE2-CD1 3.97Å; F61-Y85 HydrophobicContact CE2-CD2 4.45Å; F61-Y85 AromaticContact CE2-CG 3.72Å; F61-Y85 HydrophobicContact CE2-CG 3.72Å; F61-Y85 HydrophobicContact CZ-CD2 4.44Å; F61-Y85 HydrophobicContact CZ-CG 4.09Å; F61-T114 VanDerWaalsContact O-CB 3.29Å; F61-T114 WeakPolarHBondContact O-CB 3.5Å; F61-T114 PolarHBondContact O-N 2.76Å; F61-Y117 HydrophobicContact CB-CD1 3.56Å; F61-Y117 HydrophobicContact CB-CD2 3.93Å; F61-Y117 HydrophobicContact CB-CE1 3.83Å; F61-Y117 HydrophobicContact CB-CE2 4.15Å; F61-Y117 HydrophobicContact CB-CG 3.63Å; F61-Y117 HydrophobicContact CD2-CD1 4.38Å; F61-Y117 HydrophobicContact CG-CD1 4.27Å; F61-Y117 HydrophobicContact CG-CE1 4.3Å; F61-L343 HydrophobicContact CE1-CD2 4.11Å; F61-L343 HydrophobicContact CZ-CD2 4.23Å
62C98.1Very high97.5Very high11 Ų1123.8 Ų23.87%0.07414%0.136CC..EExtended strand (participates in β ladder)trans-134.8146.3171.7-58.30000110.5I74 V75 T76 G113 T114C62-I74 PolarHBondContact N-O 3.41Å; C62-V75 HydrophobicContact CB-CG2 4.29Å; C62-V75 WeakPolarHBondContact O-CA 3.38Å; C62-T76 PolarHBondContact O-N 3.45Å; C62-T76 VanDerWaalsContact O-N 3.08Å; C62-G113 WeakPolarHBondContact SG-CA 3.42Å; C62-T114 PolarHBondContact SG-OG1 3.28Å; C62-T114 VanDerWaalsContact SG-OG1 3.33Å
63H95.5Very high97.5Very high30 Ų3023.2 Ų23.214%0.13913%0.127CC..SBendtrans-69-38.6175.5-65.1-68.7000113.2R77 Y117 E150H63-R77 PolarHBondContact O-NE 3.47Å; H63-R77 VanDerWaalsContact O-NE 3.12Å; H63-R77 PolarHBondContact O-NH2 2.89Å; H63-Y117 AromaticContact CD2-CD2 3.83Å; H63-Y117 AromaticContact CE1-CD2 3.37Å; H63-Y117 WeakPolarHBondContact CE1-CD2 3.47Å; H63-Y117 AromaticContact CE1-CE2 3.52Å; H63-Y117 AromaticContact CG-CD2 3.86Å; H63-Y117 AromaticContact CG-CE2 3.98Å; H63-Y117 AromaticContact ND1-CD2 3.6Å; H63-Y117 AromaticContact ND1-CE2 3.42Å; H63-Y117 WeakPolarHBondContact ND1-CE2 3.47Å; H63-Y117 AromaticContact NE2-CD2 3.48Å; H63-Y117 WeakPolarHBondContact NE2-CD2 3.32Å; H63-E150 IonicContact CG-OE2 2.65Å; H63-E150 IonicContact ND1-OE2 3.88Å
64K95.4Very high97.5Very high63 Ų6325.6 Ų25.627%0.27414%0.139SC..SBendtrans-137.7144.3-171.7-165.4179.5-69.5-178.90111.6C66K64-C66 PolarHBondContact O-N 3.19Å
65L97.1Very high97.4Very high52 Ų5228.3 Ų28.327%0.27216%0.156SC..  trans-80.6103.1179.2-178.662.7000111.5Y67 V75 N183 A251L65-Y67 HydrophobicContact CD2-CD1 4.48Å; L65-Y67 HydrophobicContact CD2-CE1 4.47Å; L65-Y67 HydrophobicContact CG-CD1 4.25Å; L65-Y67 HydrophobicContact CG-CE1 4.46Å; L65-Y67 WeakPolarHBondContact O-CD1 3.44Å; L65-Y67 WeakPolarHBondContact O-CE1 3.46Å; L65-V75 HydrophobicContact CB-CB 4.44Å; L65-V75 HydrophobicContact CB-CG1 4.19Å; L65-V75 HydrophobicContact CB-CG2 3.85Å; L65-V75 HydrophobicContact CD1-CG2 3.76Å; L65-V75 HydrophobicContact CG-CG2 4.42Å; L65-N183 PolarHBondContact O-ND2 3.09Å; L65-A251 HydrophobicContact CD1-CB 3.84Å; L65-A251 HydrophobicContact CD2-CB 3.86Å; L65-A251 HydrophobicContact CG-CB 4Å
66C98.3Very high97.3Very high8 Ų829 Ų295%0.05416%0.16CC..  trans-74.4125.2167.1-62.80000110.3K64 F68 C69 V182 R184K64-C66 PolarHBondContact O-N 3.19Å; C66-F68 VanDerWaalsContact C-N 3.29Å; C66-F68 HydrophobicContact CB-CD1 4.22Å; C66-F68 HydrophobicContact CB-CE1 3.7Å; C66-F68 HydrophobicContact CB-CE2 4.41Å; C66-F68 HydrophobicContact CB-CZ 3.77Å; C66-F68 PolarHBondContact O-N 3.21Å; C66-C69 HydrophobicContact CB-CB 4.18Å; C66-C69 WeakPolarHBondContact O-CB 3.33Å; C66-C69 PolarHBondContact O-N 3.09Å; C66-V182 WeakPolarHBondContact CA-O 3.27Å; C66-R184 PolarHBondContact SG-NH1 3.34Å
67Y98.5Very high97.1Very high48 Ų4834.7 Ų34.719%0.18818%0.182CC..THydrogen-bonded Turntrans-71.2-23.8-169.8-59.5-17.4000113.4L65 L181 V182 N183 A251 Q252 K254L65-Y67 HydrophobicContact CD2-CD1 4.48Å; L65-Y67 HydrophobicContact CD2-CE1 4.47Å; L65-Y67 HydrophobicContact CG-CD1 4.25Å; L65-Y67 HydrophobicContact CG-CE1 4.46Å; L65-Y67 WeakPolarHBondContact O-CD1 3.44Å; L65-Y67 WeakPolarHBondContact O-CE1 3.46Å; Y67-L181 WeakPolarHBondContact CD2-O 3.23Å; Y67-V182 PolarHBondContact N-O 2.95Å; Y67-N183 HydrophobicContact CD1-CB 3.88Å; Y67-N183 HydrophobicContact CD2-CB 3.94Å; Y67-N183 HydrophobicContact CE1-CB 3.48Å; Y67-N183 VanDerWaalsContact CE1-CB 3.48Å; Y67-N183 WeakPolarHBondContact CE1-ND2 3.41Å; Y67-N183 HydrophobicContact CE2-CB 3.57Å; Y67-N183 HydrophobicContact CG-CB 4.09Å; Y67-A251 CarbonylContact O-C 3.59Å; Y67-Q252 VanDerWaalsContact O-CA 3.26Å; Y67-Q252 WeakPolarHBondContact O-CA 3.42Å; Y67-Q252 WeakPolarHBondContact O-CG 3.45Å; Y67-Q252 PolarHBondContact O-N 3.19Å; Y67-K254 HydrophobicContact CD1-CB 4.46Å; Y67-K254 HydrophobicContact CD1-CD 3.88Å; Y67-K254 HydrophobicContact CD2-CB 3.6Å; Y67-K254 HydrophobicContact CD2-CD 4.14Å; Y67-K254 HydrophobicContact CE1-CD 3.51Å; Y67-K254 HydrophobicContact CE2-CB 3.83Å; Y67-K254 HydrophobicContact CE2-CD 3.76Å; Y67-K254 HydrophobicContact CE2-CG 4.44Å; Y67-K254 HydrophobicContact CG-CB 3.95Å; Y67-K254 HydrophobicContact CG-CD 4.2Å; Y67-K254 VanDerWaalsContact CZ-CD 3.44Å
68F98Very high97Very high19 Ų1939.5 Ų39.58%0.08320%0.204CC..THydrogen-bonded Turntrans-76.3-21.717665.6-104.3000113.4C66 G70 Q172 V182 R184 I211 L214 Y242 Q252 I255C66-F68 VanDerWaalsContact C-N 3.29Å; C66-F68 HydrophobicContact CB-CD1 4.22Å; C66-F68 HydrophobicContact CB-CE1 3.7Å; C66-F68 HydrophobicContact CB-CE2 4.41Å; C66-F68 HydrophobicContact CB-CZ 3.77Å; C66-F68 PolarHBondContact O-N 3.21Å; F68-G70 PolarHBondContact O-N 2.87Å; F68-Q172 HydrophobicContact CE1-CB 4.45Å; F68-Q172 HydrophobicContact CE1-CG 4.04Å; F68-Q172 HydrophobicContact CE2-CG 4.47Å; F68-Q172 HydrophobicContact CZ-CB 4.44Å; F68-Q172 HydrophobicContact CZ-CG 3.66Å; F68-V182 HydrophobicContact CD1-CB 3.8Å; F68-V182 HydrophobicContact CD1-CG1 4.3Å; F68-V182 HydrophobicContact CD1-CG2 3.77Å; F68-V182 HydrophobicContact CE1-CG2 4.04Å; F68-R184 HydrophobicContact CE1-CB 4.48Å; F68-I211 HydrophobicContact CD2-CD1 3.47Å; F68-I211 VanDerWaalsContact CD2-CD1 3.47Å; F68-I211 HydrophobicContact CE2-CD1 3.5Å; F68-I211 VanDerWaalsContact CE2-CD1 3.5Å; F68-I211 HydrophobicContact CG-CD1 4.12Å; F68-I211 HydrophobicContact CZ-CD1 4.14Å; F68-L214 HydrophobicContact CB-CD2 3.66Å; F68-L214 HydrophobicContact CD1-CD2 4.31Å; F68-L214 HydrophobicContact CG-CD2 4.13Å; F68-Y242 HydrophobicContact CB-CD2 4.12Å; F68-Y242 HydrophobicContact CB-CE2 3.62Å; F68-Q252 PolarHBondContact O-NE2 2.88Å; F68-I255 HydrophobicContact CB-CD1 4.23Å
69C96.8Very high96.8Very high19 Ų1942.3 Ų42.313%0.12822%0.217CC..  trans-68.5125.5-160.31780000113.1C66 C71C66-C69 HydrophobicContact CB-CB 4.18Å; C66-C69 WeakPolarHBondContact O-CB 3.33Å; C66-C69 PolarHBondContact O-N 3.09Å; C69-C71 PolarHBondContact SG-N 3.24Å
70G94.3Very high96.8Very high35 Ų3546.6 Ų46.636%0.36124%0.237SC..  trans-106.25.817400000114.8F68 F249F68-G70 PolarHBondContact O-N 2.87Å; G70-F249 VanDerWaalsContact O-CE1 3.23Å; G70-F249 WeakPolarHBondContact O-CE1 3.38Å
71C94Very high96.8Very high74 Ų7449.3 Ų49.350%0.525%0.249SC..SBendtrans-68.9156.3179.7-50.60000111.6C69 K73C69-C71 PolarHBondContact SG-N 3.24Å; C71-K73 PolarHBondContact O-N 3.05Å
72N95.2Very high96.8Very high48 Ų4849.3 Ų49.326%0.25725%0.249SC..SBendtrans-68.6113.4162.9-168-50.1000107.5H58 S327 K341H58-N72 PolarHBondContact CE1-O 3.3Å; H58-N72 PolarHBondContact NE2-O 3.13Å; N72-S327 WeakPolarHBondContact CB-OG 3.24Å; N72-S327 VanDerWaalsContact ND2-CB 3.29Å; N72-S327 WeakPolarHBondContact ND2-CB 3.3Å; N72-K341 PolarHBondContact ND2-O 2.97Å
73K97.6Very high96.8Very high47 Ų4751.7 Ų51.720%0.20426%0.261CS..  trans-161.8152.9-17563.495.717869.70112.1P60 C71 V75P60-K73 CarbonylContact O-C 3.56Å; P60-K73 WeakPolarHBondContact O-CA 3.4Å; P60-K73 WeakPolarHBondContact O-CB 3.46Å; C71-K73 PolarHBondContact O-N 3.05Å; K73-V75 HydrophobicContact CD-CG2 3.76Å
74I98Very high97Very high50 Ų5054.4 Ų54.426%0.25627%0.273SS..EExtended strand (participates in β ladder)trans-124.9112.9-177.9-63.1170000108.4P60 F61 C62 T76 L343P60-I74 HydrophobicContact CB-CD1 4.24Å; P60-I74 HydrophobicContact CB-CG1 4.37Å; P60-I74 HydrophobicContact CG-CD1 4.43Å; P60-I74 PolarHBondContact O-N 3.19Å; F61-I74 CarbonylContact C-O 3.58Å; F61-I74 WeakPolarHBondContact CA-O 3.39Å; F61-I74 HydrophobicContact CD1-CB 4.19Å; F61-I74 HydrophobicContact CD1-CG2 4.25Å; F61-I74 HydrophobicContact CE1-CG2 4.4Å; C62-I74 PolarHBondContact N-O 3.41Å; I74-T76 HydrophobicContact CG2-CG2 4.42Å; I74-T76 PolarHBondContact O-N 2.98Å; I74-L343 HydrophobicContact CD1-CB 3.6Å; I74-L343 HydrophobicContact CD1-CD2 3.43Å; I74-L343 VanDerWaalsContact CD1-CD2 3.43Å; I74-L343 HydrophobicContact CD1-CG 4.03Å
75V97.4Very high97.1Very high57 Ų5751.4 Ų51.435%0.34526%0.26SS..EExtended strand (participates in β ladder)trans-83.6119.4176.7-177.90000108.8C62 L65 K73C62-V75 HydrophobicContact CB-CG2 4.29Å; C62-V75 WeakPolarHBondContact O-CA 3.38Å; L65-V75 HydrophobicContact CB-CB 4.44Å; L65-V75 HydrophobicContact CB-CG1 4.19Å; L65-V75 HydrophobicContact CB-CG2 3.85Å; L65-V75 HydrophobicContact CD1-CG2 3.76Å; L65-V75 HydrophobicContact CG-CG2 4.42Å; K73-V75 HydrophobicContact CD-CG2 3.76Å
76T97.3Very high97.2Very high15 Ų1548.9 Ų48.99%0.09225%0.247CC..  trans-153.4144-178.4-179.20000111.8F61 C62 I74 Q78 K81 Y117F61-T76 HydrophobicContact CB-CG2 4.49Å; F61-T76 HydrophobicContact CD1-CG2 3.63Å; F61-T76 HydrophobicContact CE1-CG2 4.32Å; F61-T76 HydrophobicContact CG-CG2 4.37Å; C62-T76 PolarHBondContact O-N 3.45Å; C62-T76 VanDerWaalsContact O-N 3.08Å; I74-T76 HydrophobicContact CG2-CG2 4.42Å; I74-T76 PolarHBondContact O-N 2.98Å; T76-Q78 WeakPolarHBondContact OG1-CB 3.37Å; T76-Q78 PolarHBondContact OG1-N 3.19Å; T76-K81 HydrophobicContact CG2-CD 4.36Å; T76-Y117 WeakPolarHBondContact O-CE2 3.48Å; T76-Y117 PolarHBondContact O-OH 3.26Å
77R95Very high97.2Very high145 Ų14552.1 Ų52.155%0.54726%0.264SS..SBendtrans-95-4.9169.8-63.8-63.9-176.8175-8.4112.8H63 Q79 E150H63-R77 PolarHBondContact O-NE 3.47Å; H63-R77 VanDerWaalsContact O-NE 3.12Å; H63-R77 PolarHBondContact O-NH2 2.89Å; R77-Q79 PolarHBondContact O-N 3.27Å; R77-Q79 VanDerWaalsContact O-N 3.09Å; R77-E150 IonicContact CZ-OE1 3.96Å; R77-E150 IonicContact CZ-OE2 3.31Å; R77-E150 VanDerWaalsContact NH1-CD 3.34Å; R77-E150 IonicContact NH1-OE1 2.76Å; R77-E150 PolarHBondContact NH1-OE1 3.2Å; R77-E150 VanDerWaalsContact NH1-OE1 3.15Å; R77-E150 IonicContact NH1-OE2 2.85Å; R77-E150 PolarHBondContact NH1-OE2 3.06Å; R77-E150 IonicContact NH2-OE1 3.5Å; R77-E150 PolarHBondContact NH2-OE1 3.37Å; R77-E150 IonicContact NH2-OE2 3.82Å
78Q96.6Very high97.3Very high101 Ų10150.4 Ų50.447%0.47226%0.259SS..  trans-81.685.3-179.8-64.9177.558.900110.1T76 H80 K81T76-Q78 WeakPolarHBondContact OG1-CB 3.37Å; T76-Q78 PolarHBondContact OG1-N 3.19Å; Q78-H80 VanDerWaalsContact C-N 3.25Å; Q78-H80 PolarHBondContact O-N 2.86Å; Q78-H80 PolarHBondContact OE1-CE1 3.05Å; Q78-K81 HydrophobicContact CB-CD 4.09Å; Q78-K81 HydrophobicContact CB-CG 4.05Å; Q78-K81 WeakPolarHBondContact O-CB 3.41Å; Q78-K81 WeakPolarHBondContact O-CG 3.46Å; Q78-K81 PolarHBondContact O-N 3.4Å
79Q94.9Very high97.3Very high67 Ų6749.5 Ų49.531%0.31326%0.256SS..THydrogen-bonded Turntrans-58.5-33.6-173.5-152.6-73.7-34.500113.2R77 K81 A82 Y117 Q122R77-Q79 PolarHBondContact O-N 3.27Å; R77-Q79 VanDerWaalsContact O-N 3.09Å; Q79-K81 PolarHBondContact O-N 2.87Å; Q79-A82 VanDerWaalsContact O-CB 3.23Å; Q79-A82 WeakPolarHBondContact O-CB 3.31Å; Q79-A82 PolarHBondContact O-N 3.3Å; Q79-Y117 HydrophobicContact CG-CE1 4.41Å; Q79-Q122 VanDerWaalsContact NE2-NE2 3.17Å
80H97.8Very high97.4Very high89 Ų8951.5 Ų51.541%0.41226%0.263SS..Hα-helixtrans-56.7-18.7175.772.4-98.9000114.3Q78 A82 D83 Q84Q78-H80 VanDerWaalsContact C-N 3.25Å; Q78-H80 PolarHBondContact O-N 2.86Å; Q78-H80 PolarHBondContact OE1-CE1 3.05Å; H80-A82 PolarHBondContact O-N 2.94Å; H80-D83 PolarHBondContact O-N 2.84Å; H80-Q84 PolarHBondContact O-N 3.2Å
81K98.3Very high97.6Very high58 Ų5854 Ų5425%0.25227%0.266SS..Hα-helixtrans-66.7-25.1173.6-68.2-171.3172.1-64.70112.4F61 T76 Q78 Q79 Y85F61-K81 HydrophobicContact CE1-CB 4Å; F61-K81 HydrophobicContact CZ-CB 4.03Å; F61-K81 WeakPolarHBondContact CZ-O 3.41Å; T76-K81 HydrophobicContact CG2-CD 4.36Å; Q78-K81 HydrophobicContact CB-CD 4.09Å; Q78-K81 HydrophobicContact CB-CG 4.05Å; Q78-K81 WeakPolarHBondContact O-CB 3.41Å; Q78-K81 WeakPolarHBondContact O-CG 3.46Å; Q78-K81 PolarHBondContact O-N 3.4Å; Q79-K81 PolarHBondContact O-N 2.87Å; K81-Y85 VanDerWaalsContact O-CB 3.3Å; K81-Y85 WeakPolarHBondContact O-CB 3.03Å; K81-Y85 PolarHBondContact O-N 3.2Å
82A98.6Very high97.9Very high0 Ų050.6 Ų50.60%024%0.242CC..Hα-helixtrans-64-44.7171.700000110.8Q79 H80 Y85 L86 Y117 L118Q79-A82 VanDerWaalsContact O-CB 3.23Å; Q79-A82 WeakPolarHBondContact O-CB 3.31Å; Q79-A82 PolarHBondContact O-N 3.3Å; H80-A82 PolarHBondContact O-N 2.94Å; A82-Y85 WeakPolarHBondContact O-CB 3.44Å; A82-Y85 PolarHBondContact O-N 3.17Å; A82-L86 WeakPolarHBondContact O-CG 3.41Å; A82-L86 PolarHBondContact O-N 3.38Å; A82-Y117 HydrophobicContact CB-CD1 4.32Å; A82-Y117 HydrophobicContact CB-CE1 4.24Å; A82-L118 HydrophobicContact CB-CD2 3.79Å
83D98.8Very high98Very high61 Ų6148.3 Ų48.333%0.32623%0.23SC..Hα-helixtrans-63.4-47.1176.7-59.4-59000111.5H80 Y85 L86 D87 Q122H80-D83 PolarHBondContact O-N 2.84Å; D83-Y85 PolarHBondContact O-N 3.14Å; D83-L86 PolarHBondContact O-N 3.38Å; D83-D87 PolarHBondContact O-N 3.44Å; D83-Q122 PolarHBondContact OD1-NE2 3.41Å; D83-Q122 PolarHBondContact OD2-NE2 3.27Å; D83-Q122 VanDerWaalsContact OD2-NE2 3.16Å
84Q98.7Very high98.1Very high86 Ų8649.2 Ų49.240%0.40224%0.239SC..Hα-helixtrans-56.5-35.8174.6-68.3175.8-18.200112.5H80 A88H80-Q84 PolarHBondContact O-N 3.2Å; Q84-A88 PolarHBondContact O-N 2.88Å
85Y98.9Very high98.1Very high0 Ų051.3 Ų51.30%025%0.248CC..Hα-helixtrans-73-38.9176.6-170.7-112.3000112.9H58 I59 P60 F61 K81 A82 D83 D87 A88 L89 G325 V326 L343 Y346 Y347H58-Y85 VanDerWaalsContact O-CE1 3.28Å; H58-Y85 WeakPolarHBondContact O-CE1 3.37Å; H58-Y85 PolarHBondContact O-OH 3.14Å; I59-Y85 HydrophobicContact CD1-CD1 4.47Å; I59-Y85 HydrophobicContact CD1-CE1 4.01Å; P60-Y85 VanDerWaalsContact CD-CE1 3.48Å; P60-Y85 HydrophobicContact CG-CE1 4.37Å; P60-Y85 HydrophobicContact CG-CE2 4.24Å; F61-Y85 VanDerWaalsContact CE2-CB 3.48Å; F61-Y85 AromaticContact CE2-CD1 3.97Å; F61-Y85 HydrophobicContact CE2-CD1 3.97Å; F61-Y85 HydrophobicContact CE2-CD2 4.45Å; F61-Y85 AromaticContact CE2-CG 3.72Å; F61-Y85 HydrophobicContact CE2-CG 3.72Å; F61-Y85 HydrophobicContact CZ-CD2 4.44Å; F61-Y85 HydrophobicContact CZ-CG 4.09Å; K81-Y85 VanDerWaalsContact O-CB 3.3Å; K81-Y85 WeakPolarHBondContact O-CB 3.03Å; K81-Y85 PolarHBondContact O-N 3.2Å; A82-Y85 WeakPolarHBondContact O-CB 3.44Å; A82-Y85 PolarHBondContact O-N 3.17Å; D83-Y85 PolarHBondContact O-N 3.14Å; Y85-D87 VanDerWaalsContact C-N 3.31Å; Y85-A88 PolarHBondContact O-N 2.94Å; Y85-L89 HydrophobicContact CD1-CD1 3.72Å; Y85-L89 HydrophobicContact CD1-CG 4.34Å; Y85-L89 HydrophobicContact CE1-CD1 3.41Å; Y85-L89 VanDerWaalsContact CE1-CD1 3.41Å; Y85-L89 HydrophobicContact CE1-CG 4Å; Y85-L89 PolarHBondContact O-N 3.25Å; Y85-G325 WeakPolarHBondContact OH-CA 3.24Å; Y85-V326 HydrophobicContact CE2-CB 4.34Å; Y85-V326 HydrophobicContact CE2-CG1 4.17Å; Y85-V326 PolarHBondContact OH-N 3.12Å; Y85-L343 HydrophobicContact CD2-CD1 3.66Å; Y85-L343 HydrophobicContact CE2-CD1 3.67Å; Y85-Y346 HydrophobicContact CD2-CE1 4.19Å; Y85-Y346 HydrophobicContact CE2-CD1 4.11Å; Y85-Y346 AromaticContact CE2-CE1 3.68Å; Y85-Y346 HydrophobicContact CE2-CE1 3.68Å; Y85-Y347 WeakPolarHBondContact CA-OH 3.19Å; Y85-Y347 WeakPolarHBondContact CB-OH 3.45Å; Y85-Y347 AromaticContact CD2-CE1 3.77Å; Y85-Y347 HydrophobicContact CD2-CE1 3.77Å; Y85-Y347 PolarHBondContact N-OH 3.39Å
86L98.9Very high98.2Very high0 Ų049 Ų490%023%0.233CC..Hα-helixtrans-66.4-33.8173.4-68.2-172.3000112A82 D83 A88 L89 E90 L118 Q122 R125 L126A82-L86 WeakPolarHBondContact O-CG 3.41Å; A82-L86 PolarHBondContact O-N 3.38Å; D83-L86 PolarHBondContact O-N 3.38Å; L86-A88 VanDerWaalsContact C-N 3.34Å; L86-L89 HydrophobicContact CD2-CD1 4.03Å; L86-L89 PolarHBondContact O-N 3.36Å; L86-E90 VanDerWaalsContact O-CB 3.31Å; L86-E90 WeakPolarHBondContact O-CB 3.5Å; L86-E90 PolarHBondContact O-N 2.82Å; L86-L118 HydrophobicContact CD2-CD1 4.33Å; L86-Q122 HydrophobicContact CD1-CB 3.67Å; L86-Q122 HydrophobicContact CD1-CG 3.88Å; L86-Q122 WeakPolarHBondContact CD1-O 3.1Å; L86-R125 HydrophobicContact CD1-CB 4.43Å; L86-R125 HydrophobicContact CD1-CG 4.49Å; L86-L126 HydrophobicContact CD2-CB 3.99Å; L86-L126 HydrophobicContact CD2-CD1 4.23Å; L86-L126 HydrophobicContact CD2-CD2 4.05Å; L86-L126 HydrophobicContact CD2-CG 4.31Å
87D98.8Very high98.2Very high76 Ų7648.4 Ų48.441%0.40623%0.229SC..Hα-helixtrans-61.2-43172.9-59.9-22.3000111D83 Y85 Q91 R125D83-D87 PolarHBondContact O-N 3.44Å; Y85-D87 VanDerWaalsContact C-N 3.31Å; D87-Q91 PolarHBondContact O-N 3.31Å; D87-R125 IonicContact OD1-CZ 3.88Å; D87-R125 IonicContact OD1-NH1 3.57Å; D87-R125 PolarHBondContact OD1-NH1 3.33Å; D87-R125 IonicContact OD1-NH2 3.73Å; D87-R125 PolarHBondContact OD1-NH2 2.88Å
88A98.9Very high98.4Very high11 Ų1145.4 Ų45.49%0.09123%0.229CC..Hα-helixtrans-69.7-43175.500000112.5Q84 Y85 L86 E90 Q91 E92 Y346 Y347 V350Q84-A88 PolarHBondContact O-N 2.88Å; Y85-A88 PolarHBondContact O-N 2.94Å; L86-A88 VanDerWaalsContact C-N 3.34Å; A88-E90 VanDerWaalsContact C-N 3.27Å; A88-E90 PolarHBondContact O-N 2.75Å; A88-Q91 PolarHBondContact O-N 3.15Å; A88-Q91 VanDerWaalsContact O-N 3.17Å; A88-E92 PolarHBondContact O-N 3.36Å; A88-Y346 HydrophobicContact CB-CE1 3.91Å; A88-Y347 HydrophobicContact CB-CD1 3.53Å; A88-Y347 HydrophobicContact CB-CE1 3.62Å; A88-V350 WeakPolarHBondContact O-CG1 3.18Å
89L98.9Very high98.5Very high0 Ų043.8 Ų43.80%022%0.223CC..Hα-helixtrans-60.3-38.2175.1-87.1172.2000111.8V57 I59 Y85 L86 Q91 E92 I93 L126 M324V57-L89 HydrophobicContact CG1-CD1 3.92Å; V57-L89 HydrophobicContact CG1-CD2 4.09Å; I59-L89 HydrophobicContact CD1-CD1 4.2Å; Y85-L89 HydrophobicContact CD1-CD1 3.72Å; Y85-L89 HydrophobicContact CD1-CG 4.34Å; Y85-L89 HydrophobicContact CE1-CD1 3.41Å; Y85-L89 VanDerWaalsContact CE1-CD1 3.41Å; Y85-L89 HydrophobicContact CE1-CG 4Å; Y85-L89 PolarHBondContact O-N 3.25Å; L86-L89 HydrophobicContact CD2-CD1 4.03Å; L86-L89 PolarHBondContact O-N 3.36Å; L89-Q91 VanDerWaalsContact C-N 3.35Å; L89-E92 PolarHBondContact O-N 3.43Å; L89-I93 WeakPolarHBondContact O-CB 3.32Å; L89-I93 WeakPolarHBondContact O-CD1 3.26Å; L89-I93 WeakPolarHBondContact O-CG1 3.42Å; L89-I93 PolarHBondContact O-N 3.31Å; L89-L126 HydrophobicContact CD1-CD1 4.26Å; L89-L126 HydrophobicContact CD1-CD2 4.47Å; L89-M324 HydrophobicContact CD2-CB 4.17Å
90E98.9Very high98.7Very high61 Ų6140.8 Ų40.829%0.28521%0.209SC..Hα-helixtrans-58.2-47.4174.1177.2169.3-177.500111.2L86 A88 I93 V94 R125 L129L86-E90 VanDerWaalsContact O-CB 3.31Å; L86-E90 WeakPolarHBondContact O-CB 3.5Å; L86-E90 PolarHBondContact O-N 2.82Å; A88-E90 VanDerWaalsContact C-N 3.27Å; A88-E90 PolarHBondContact O-N 2.75Å; E90-I93 PolarHBondContact O-N 3.17Å; E90-V94 WeakPolarHBondContact O-CB 3.13Å; E90-V94 VanDerWaalsContact O-CG2 3.27Å; E90-V94 WeakPolarHBondContact O-CG2 3.27Å; E90-V94 PolarHBondContact O-N 2.83Å; E90-R125 IonicContact OE2-CZ 3.63Å; E90-R125 IonicContact OE2-NE 3.21Å; E90-R125 IonicContact OE2-NH2 3.37Å; E90-R125 PolarHBondContact OE2-NH2 3.23Å; E90-L129 HydrophobicContact CB-CD1 3.76Å; E90-L129 HydrophobicContact CB-CD2 4.36Å; E90-L129 HydrophobicContact CG-CD1 4.08Å; E90-L129 HydrophobicContact CG-CD2 3.77Å
91Q98.8Very high98.7Very high89 Ų8940.2 Ų40.242%0.41622%0.219SC..Hα-helixtrans-62-45.9175.7-63.8-50.8-51.600111.7D87 A88 L89 I93 V94 H95 V350D87-Q91 PolarHBondContact O-N 3.31Å; A88-Q91 PolarHBondContact O-N 3.15Å; A88-Q91 VanDerWaalsContact O-N 3.17Å; L89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-I93 PolarHBondContact O-N 2.98Å; Q91-V94 PolarHBondContact O-N 2.88Å; Q91-H95 PolarHBondContact O-N 3Å; Q91-H95 VanDerWaalsContact O-N 3.15Å; Q91-H95 PolarHBondContact O-ND1 3.44Å; Q91-V350 HydrophobicContact CB-CG1 3.69Å
92E98.9Very high98.7Very high2 Ų240.5 Ų40.51%0.00924%0.239CC..Hα-helixtrans-59.4-45.4177.5-175.7179.8-168.700111.9A88 L89 H95 R96 G325 N339 Y346 V350 G354A88-E92 PolarHBondContact O-N 3.36Å; L89-E92 PolarHBondContact O-N 3.43Å; E92-H95 PolarHBondContact O-N 3.4Å; E92-R96 HydrophobicContact CG-CG 4.29Å; E92-R96 WeakPolarHBondContact O-CB 3.3Å; E92-R96 WeakPolarHBondContact O-CG 3.49Å; E92-R96 PolarHBondContact O-N 3.25Å; E92-G325 PolarHBondContact OE2-N 2.88Å; E92-N339 PolarHBondContact OE1-ND2 2.83Å; E92-Y346 WeakPolarHBondContact OE2-CE2 3.34Å; E92-Y346 PolarHBondContact OE2-OH 2.96Å; E92-V350 HydrophobicContact CB-CG1 4.41Å; E92-V350 HydrophobicContact CB-CG2 4.44Å; E92-G354 WeakPolarHBondContact CA-O 3.49Å
93I98.9Very high98.7Very high0 Ų041.1 Ų41.10%024%0.241CC..Hα-helixtrans-61.4-48.7178.5-73.1163.4000110.3L89 E90 Q91 H95 R96 A97 L126 L129 L130 N133 F134 M324L89-I93 WeakPolarHBondContact O-CB 3.32Å; L89-I93 WeakPolarHBondContact O-CD1 3.26Å; L89-I93 WeakPolarHBondContact O-CG1 3.42Å; L89-I93 PolarHBondContact O-N 3.31Å; E90-I93 PolarHBondContact O-N 3.17Å; Q91-I93 PolarHBondContact O-N 2.98Å; I93-H95 PolarHBondContact O-N 3.45Å; I93-R96 PolarHBondContact O-N 3.45Å; I93-A97 HydrophobicContact CG2-CB 4.39Å; I93-A97 WeakPolarHBondContact O-CB 3.44Å; I93-A97 PolarHBondContact O-N 3.11Å; I93-L126 HydrophobicContact CD1-CD1 4.03Å; I93-L129 HydrophobicContact CD1-CB 4.32Å; I93-L130 HydrophobicContact CD1-CD2 3.86Å; I93-L130 HydrophobicContact CD1-CG 4.35Å; I93-L130 HydrophobicContact CG1-CD2 4.36Å; I93-N133 HydrophobicContact CG2-CB 3.67Å; I93-F134 HydrophobicContact CG2-CE2 4.13Å; I93-M324 HydrophobicContact CG1-SD 3.65Å
94V98.6Very high98.7Very high65 Ų6542.3 Ų42.339%0.39425%0.245SC..Hα-helixtrans-60.4-33.3-178.7167.20000112.1E90 Q91 P98E90-V94 WeakPolarHBondContact O-CB 3.13Å; E90-V94 VanDerWaalsContact O-CG2 3.27Å; E90-V94 WeakPolarHBondContact O-CG2 3.27Å; E90-V94 PolarHBondContact O-N 2.83Å; Q91-V94 PolarHBondContact O-N 2.88Å; V94-P98 WeakPolarHBondContact O-CD 3.34Å; V94-P98 VanDerWaalsContact O-CG 3.27Å; V94-P98 WeakPolarHBondContact O-CG 3.09Å
95H98.7Very high98.7Very high94 Ų9438.2 Ų38.244%0.43523%0.226SC..Hα-helixtrans-85.5-35178.6-69.983.5000113.3Q91 E92 I93 G354Q91-H95 PolarHBondContact O-N 3Å; Q91-H95 VanDerWaalsContact O-N 3.15Å; Q91-H95 PolarHBondContact O-ND1 3.44Å; E92-H95 PolarHBondContact O-N 3.4Å; I93-H95 PolarHBondContact O-N 3.45Å; H95-G354 VanDerWaalsContact CB-O 3.26Å; H95-G354 WeakPolarHBondContact CB-O 3.25Å
96R98.7Very high98.6Very high10 Ų1038.9 Ų38.94%0.03823%0.23CC..Hα-helixtrans-84.4-41.4-178.3-71.9-60.6-172-155.43113.4E38 E92 I93 P98 L99 F100 L322 N355E38-R96 IonicContact OE1-CZ 3.6Å; E38-R96 IonicContact OE1-NH1 2.89Å; E38-R96 PolarHBondContact OE1-NH1 3.37Å; E38-R96 IonicContact OE1-NH2 3.18Å; E38-R96 IonicContact OE2-CZ 3.33Å; E38-R96 IonicContact OE2-NH1 3.1Å; E38-R96 PolarHBondContact OE2-NH1 3.37Å; E38-R96 IonicContact OE2-NH2 3.79Å; E38-R96 PolarHBondContact OE2-NH2 2.86Å; E92-R96 HydrophobicContact CG-CG 4.29Å; E92-R96 WeakPolarHBondContact O-CB 3.3Å; E92-R96 WeakPolarHBondContact O-CG 3.49Å; E92-R96 PolarHBondContact O-N 3.25Å; I93-R96 PolarHBondContact O-N 3.45Å; R96-P98 VanDerWaalsContact C-CD 3.43Å; R96-L99 VanDerWaalsContact O-CB 3.31Å; R96-L99 WeakPolarHBondContact O-CB 3.23Å; R96-L99 WeakPolarHBondContact O-CG 3.47Å; R96-L99 PolarHBondContact O-N 3.45Å; R96-L99 VanDerWaalsContact O-N 3.11Å; R96-F100 VanDerWaalsContact O-CD2 3.29Å; R96-F100 WeakPolarHBondContact O-CD2 3.43Å; R96-L322 HydrophobicContact CB-CD2 4.5Å; R96-N355 PolarHBondContact NH2-OD1 3.36Å
97A98.8Very high98.6Very high2 Ų239.2 Ų39.22%0.01723%0.232CC..G310 helixtrans-57.8-37.3-173.700000115.1I93 L99 F100 A101 N133 F134I93-A97 HydrophobicContact CG2-CB 4.39Å; I93-A97 WeakPolarHBondContact O-CB 3.44Å; I93-A97 PolarHBondContact O-N 3.11Å; A97-L99 PolarHBondContact O-N 3.23Å; A97-L99 VanDerWaalsContact O-N 3.11Å; A97-F100 CarbonylContact O-C 3.53Å; A97-F100 WeakPolarHBondContact O-CA 3.39Å; A97-F100 PolarHBondContact O-N 2.92Å; A97-A101 PolarHBondContact O-N 3.12Å; A97-N133 HydrophobicContact CB-CB 3.67Å; A97-F134 HydrophobicContact CB-CD1 4.25Å; A97-F134 HydrophobicContact CB-CD2 4.27Å; A97-F134 HydrophobicContact CB-CE1 3.74Å; A97-F134 HydrophobicContact CB-CE2 3.76Å; A97-F134 HydrophobicContact CB-CG 4.5Å; A97-F134 HydrophobicContact CB-CZ 3.47Å; A97-F134 VanDerWaalsContact CB-CZ 3.47Å
98P98.8Very high98.6Very high82 Ų8235.6 Ų35.653%0.53221%0.212SC..G310 helixtrans-57.9-27.5177.1-27.636.6000114.2V94 R96 F100 A101V94-P98 WeakPolarHBondContact O-CD 3.34Å; V94-P98 VanDerWaalsContact O-CG 3.27Å; V94-P98 WeakPolarHBondContact O-CG 3.09Å; R96-P98 VanDerWaalsContact C-CD 3.43Å; P98-F100 PolarHBondContact O-N 3.13Å; P98-A101 PolarHBondContact O-N 2.93Å
99L98.7Very high98.6Very high66 Ų6636 Ų3635%0.34621%0.212SC..G310 helixtrans-66.6-17.4175.7-53.8177.4000112.5F41 L42 V45 R96 A97F41-L99 HydrophobicContact CE1-CD1 4.28Å; L42-L99 HydrophobicContact CD2-CD1 3.71Å; L42-L99 HydrophobicContact CD2-CD2 3.92Å; L42-L99 HydrophobicContact CD2-CG 4.48Å; V45-L99 HydrophobicContact CG1-CB 4.15Å; R96-L99 VanDerWaalsContact O-CB 3.31Å; R96-L99 WeakPolarHBondContact O-CB 3.23Å; R96-L99 WeakPolarHBondContact O-CG 3.47Å; R96-L99 PolarHBondContact O-N 3.45Å; R96-L99 VanDerWaalsContact O-N 3.11Å; A97-L99 PolarHBondContact O-N 3.23Å; A97-L99 VanDerWaalsContact O-N 3.11Å
100F98.7Very high98.6Very high4 Ų436 Ų362%0.01821%0.212CC..G310 helixtrans-116.618.5-177.4-56.1-88.8000112.6V45 L53 R96 A97 P98 G102 R103 F134 L322 I332V45-F100 HydrophobicContact CG1-CD1 4.35Å; V45-F100 HydrophobicContact CG1-CE1 3.9Å; V45-F100 HydrophobicContact CG1-CZ 4.05Å; V45-F100 HydrophobicContact CG2-CE1 4.11Å; V45-F100 HydrophobicContact CG2-CE2 4.48Å; V45-F100 HydrophobicContact CG2-CZ 3.68Å; L53-F100 HydrophobicContact CD1-CD1 3.78Å; L53-F100 HydrophobicContact CD1-CE1 3.97Å; L53-F100 HydrophobicContact CD2-CB 3.84Å; L53-F100 HydrophobicContact CD2-CD1 3.88Å; L53-F100 HydrophobicContact CD2-CG 3.95Å; R96-F100 VanDerWaalsContact O-CD2 3.29Å; R96-F100 WeakPolarHBondContact O-CD2 3.43Å; A97-F100 CarbonylContact O-C 3.53Å; A97-F100 WeakPolarHBondContact O-CA 3.39Å; A97-F100 PolarHBondContact O-N 2.92Å; P98-F100 PolarHBondContact O-N 3.13Å; F100-G102 PolarHBondContact O-N 3.27Å; F100-G102 VanDerWaalsContact O-N 3.09Å; F100-R103 HydrophobicContact CB-CB 4.2Å; F100-R103 HydrophobicContact CB-CG 3.71Å; F100-R103 HydrophobicContact CD1-CG 4.07Å; F100-R103 HydrophobicContact CG-CG 4.38Å; F100-R103 VanDerWaalsContact O-CB 3.26Å; F100-R103 WeakPolarHBondContact O-CB 3.33Å; F100-R103 VanDerWaalsContact O-CG 3.22Å; F100-R103 WeakPolarHBondContact O-CG 3.29Å; F100-R103 PolarHBondContact O-N 3.16Å; F100-F134 HydrophobicContact CB-CD1 4.37Å; F100-F134 HydrophobicContact CB-CE1 4.15Å; F100-F134 HydrophobicContact CD2-CE1 4.24Å; F100-F134 HydrophobicContact CG-CE1 4.44Å; F100-L322 HydrophobicContact CD2-CD2 3.98Å; F100-L322 HydrophobicContact CE2-CD1 4.03Å; F100-L322 HydrophobicContact CE2-CD2 3.65Å; F100-L322 HydrophobicContact CE2-CG 4.34Å; F100-L322 HydrophobicContact CZ-CB 4.43Å; F100-L322 HydrophobicContact CZ-CD1 4.02Å; F100-L322 HydrophobicContact CZ-CD2 4.17Å; F100-L322 HydrophobicContact CZ-CG 4.44Å; F100-I332 HydrophobicContact CE1-CD1 4.01Å; F100-I332 HydrophobicContact CZ-CD1 3.73Å
101A97.9Very high98.5Very high77 Ų7733.1 Ų33.164%0.63620%0.199SC*.THydrogen-bonded Turntrans-58.6-26.4-175.300000114.7A97 P98A97-A101 PolarHBondContact O-N 3.12Å; P98-A101 PolarHBondContact O-N 2.93Å
102G97.2Very high98.3Very high65 Ų6529.3 Ų29.367%0.6718%0.184SC*.THydrogen-bonded Turntrans-92.28.9176.700000114.8F100F100-G102 PolarHBondContact O-N 3.27Å; F100-G102 VanDerWaalsContact O-N 3.09Å
103R98.4Very high98Very high13 Ų1330.1 Ų30.15%0.04919%0.192CC..  trans-106.1151.2-169.9-43.8-67.6-85.983.212110Y48 P49 R51 L53 F100 D320Y48-R103 PolarHBondContact O-NH2 2.86Å; P49-R103 WeakPolarHBondContact O-CD 3.49Å; P49-R103 PolarHBondContact O-NE 3.05Å; P49-R103 PolarHBondContact O-NH1 2.87Å; R51-R103 PolarHBondContact O-NH1 2.98Å; R51-R103 PolarHBondContact O-NH2 3.33Å; L53-R103 HydrophobicContact CB-CB 4.21Å; L53-R103 HydrophobicContact CD2-CB 4.22Å; F100-R103 HydrophobicContact CB-CB 4.2Å; F100-R103 HydrophobicContact CB-CG 3.71Å; F100-R103 HydrophobicContact CD1-CG 4.07Å; F100-R103 HydrophobicContact CG-CG 4.38Å; F100-R103 VanDerWaalsContact O-CB 3.26Å; F100-R103 WeakPolarHBondContact O-CB 3.33Å; F100-R103 VanDerWaalsContact O-CG 3.22Å; F100-R103 WeakPolarHBondContact O-CG 3.29Å; F100-R103 PolarHBondContact O-N 3.16Å; R103-D320 IonicContact NH2-OD2 2.63Å; R103-D320 PolarHBondContact NH2-OD2 3.26Å
104H98.7Very high97.9Very high86 Ų8630.6 Ų30.640%0.39820%0.195SC..EExtended strand (participates in β ladder)trans-109.1124.8177.2-75-95.2000110.3L53 S106 Q135 N137L53-H104 PolarHBondContact N-O 3.46Å; H104-S106 PolarHBondContact O-N 2.95Å; H104-Q135 VanDerWaalsContact CE1-CD 3.48Å; H104-Q135 PolarHBondContact CE1-NE2 2.82Å; H104-N137 WeakPolarHBondContact CB-OD1 3.48Å; H104-N137 PolarHBondContact ND1-OD1 3.03Å
105V98.8Very high97.9Very high0 Ų027.5 Ų27.50%018%0.177CC..EExtended strand (participates in β ladder)trans-81.8114.2178.5179.90000109.9L53 L55 Q107 F134 Q135 F136 N137L53-V105 HydrophobicContact CB-CG2 4.36Å; L53-V105 HydrophobicContact CD2-CG2 4.05Å; L53-V105 HydrophobicContact CG-CG2 4.41Å; L53-V105 CarbonylContact O-C 3.57Å; L53-V105 VanDerWaalsContact O-CA 3.26Å; L53-V105 WeakPolarHBondContact O-CA 3.26Å; L55-V105 HydrophobicContact CD1-CG1 4.02Å; L55-V105 HydrophobicContact CD1-CG2 3.88Å; L55-V105 HydrophobicContact CG-CG1 3.95Å; L55-V105 HydrophobicContact CG-CG2 4.07Å; V105-Q107 VanDerWaalsContact CG1-O 3.29Å; V105-Q107 WeakPolarHBondContact CG1-O 3.26Å; V105-F134 HydrophobicContact CG2-CB 3.74Å; V105-F134 HydrophobicContact CG2-CD1 4.45Å; V105-F134 HydrophobicContact CG2-CG 4.36Å; V105-Q135 PolarHBondContact N-O 2.92Å; V105-F136 HydrophobicContact CB-CD1 4.22Å; V105-F136 HydrophobicContact CB-CD2 4.36Å; V105-F136 HydrophobicContact CB-CE1 4.42Å; V105-F136 HydrophobicContact CB-CG 4.19Å; V105-F136 HydrophobicContact CG1-CD1 3.9Å; V105-F136 HydrophobicContact CG1-CE1 3.75Å; V105-F136 HydrophobicContact CG1-CE2 4.5Å; V105-F136 HydrophobicContact CG1-CG 4.36Å; V105-F136 HydrophobicContact CG1-CZ 4.06Å; V105-N137 WeakPolarHBondContact O-CB 3.22Å; V105-N137 PolarHBondContact O-N 2.92Å
106S98.3Very high97.9Very high13 Ų1323.7 Ų23.79%0.09116%0.16CC..EExtended strand (participates in β ladder)trans-99.8-15176.461.60000113.1L53 H104 A140 E141 Q316L53-S106 PolarHBondContact O-N 2.79Å; H104-S106 PolarHBondContact O-N 2.95Å; S106-A140 WeakPolarHBondContact O-CA 3.25Å; S106-E141 PolarHBondContact O-N 3.01Å; S106-Q316 PolarHBondContact O-NE2 2.97Å; S106-Q316 VanDerWaalsContact O-NE2 3.16Å; S106-Q316 PolarHBondContact OG-OE1 2.99Å
107Q98.3Very high97.9Very high8 Ų823.6 Ų23.64%0.03716%0.16CC..EExtended strand (participates in β ladder)trans-147.1141179.7-165.7-175.5-77.800111.9S54 L55 V105 E141 T314S54-Q107 CarbonylContact C-O 3.48Å; S54-Q107 WeakPolarHBondContact CA-O 3.4Å; S54-Q107 PolarHBondContact OG-NE2 3.09Å; L55-Q107 PolarHBondContact N-O 2.9Å; V105-Q107 VanDerWaalsContact CG1-O 3.29Å; V105-Q107 WeakPolarHBondContact CG1-O 3.26Å; Q107-E141 CarbonylContact C-O 3.47Å; Q107-E141 VanDerWaalsContact CA-O 3.26Å; Q107-E141 WeakPolarHBondContact CA-O 3.43Å; Q107-E141 HydrophobicContact CG-CB 4.15Å; Q107-E141 HydrophobicContact CG-CG 4.35Å; Q107-T314 PolarHBondContact OE1-OG1 2.95Å
108L98.6Very high97.9Very high0 Ų023.6 Ų23.60%016%0.159CC..EExtended strand (participates in β ladder)trans-132.4133.4167.1171.764.2000109.1L55 V57 M127 L130 F136 E141 I142 S143L55-L108 HydrophobicContact CB-CD1 3.65Å; L55-L108 CarbonylContact O-C 3.5Å; L55-L108 WeakPolarHBondContact O-CA 3.45Å; V57-L108 HydrophobicContact CG2-CD1 4.25Å; L108-M127 HydrophobicContact CD2-CE 4.01Å; L108-M127 HydrophobicContact CD2-SD 3.57Å; L108-M127 VanDerWaalsContact CD2-SD 3.57Å; L108-L130 HydrophobicContact CD1-CD1 4Å; L108-L130 HydrophobicContact CD2-CD1 3.83Å; L108-F136 HydrophobicContact CB-CE1 3.92Å; L108-F136 HydrophobicContact CB-CZ 4.44Å; L108-F136 HydrophobicContact CD2-CE1 3.97Å; L108-F136 HydrophobicContact CD2-CZ 4.01Å; L108-E141 PolarHBondContact N-O 2.76Å; L108-I142 HydrophobicContact CB-CG1 4.4Å; L108-I142 HydrophobicContact CB-CG2 4.34Å; L108-I142 HydrophobicContact CD2-CG2 4.03Å; L108-I142 HydrophobicContact CG-CG2 4.4Å; L108-I142 WeakPolarHBondContact O-CA 3.44Å; L108-S143 PolarHBondContact O-N 2.86Å; L108-S143 PolarHBondContact O-OG 2.82Å; L108-S143 VanDerWaalsContact O-OG 3.05Å
109H98.7Very high97.8Very high19 Ų1922.9 Ų22.99%0.08815%0.151CC..EExtended strand (participates in β ladder)trans-132.3130172.3-173.185000111.5L55 Y56 V57 S143 E145 Q311L55-H109 PolarHBondContact O-N 3.47Å; Y56-H109 WeakPolarHBondContact CA-O 3.41Å; Y56-H109 HydrophobicContact CD2-CB 4.44Å; Y56-H109 AromaticContact CD2-CD2 3.87Å; Y56-H109 AromaticContact CE2-CD2 3.86Å; V57-H109 PolarHBondContact N-O 3.42Å; H109-S143 WeakPolarHBondContact CA-O 3.37Å; H109-S143 WeakPolarHBondContact CB-OG 3.36Å; H109-S143 PolarHBondContact ND1-OG 2.86Å; H109-E145 IonicContact NE2-OE1 2.85Å; H109-E145 PolarHBondContact NE2-OE1 3.05Å; H109-Q311 VanDerWaalsContact CD2-CG 3.44Å; H109-Q311 WeakPolarHBondContact CD2-CG 3.23Å; H109-Q311 PolarHBondContact CD2-NE2 2.7Å; H109-Q311 VanDerWaalsContact CD2-NE2 3.34Å; H109-Q311 WeakPolarHBondContact NE2-CG 3.37Å; H109-Q311 PolarHBondContact NE2-NE2 3.43Å; H109-Q311 VanDerWaalsContact NE2-NE2 3.1Å
110W98.8Very high97.8Very high0 Ų023.1 Ų23.10%015%0.149CC..EExtended strand (participates in β ladder)trans-104.7120.7167.2-66.10.7000109.7V57 P115 L118 I123 L126 M127 L130 S143 I144 E145 F164V57-W110 HydrophobicContact CB-CG 4.35Å; V57-W110 WeakPolarHBondContact O-CA 3.41Å; W110-P115 HydrophobicContact CB-CB 4.01Å; W110-P115 HydrophobicContact CB-CG 4.12Å; W110-P115 WeakPolarHBondContact O-CG 3.04Å; W110-L118 HydrophobicContact CZ3-CD1 4.4Å; W110-I123 HydrophobicContact CH2-CG2 4.14Å; W110-I123 HydrophobicContact CZ3-CB 4.41Å; W110-I123 HydrophobicContact CZ3-CG1 4.27Å; W110-I123 HydrophobicContact CZ3-CG2 4.02Å; W110-L126 HydrophobicContact CD2-CD2 4.21Å; W110-L126 HydrophobicContact CE3-CD2 4.46Å; W110-L126 HydrophobicContact CH2-CB 3.87Å; W110-L126 HydrophobicContact CH2-CD2 3.73Å; W110-L126 HydrophobicContact CH2-CG 3.92Å; W110-L126 HydrophobicContact CZ2-CB 3.9Å; W110-L126 HydrophobicContact CZ2-CD2 3.41Å; W110-L126 VanDerWaalsContact CZ2-CD2 3.41Å; W110-L126 HydrophobicContact CZ2-CG 3.47Å; W110-L126 VanDerWaalsContact CZ2-CG 3.47Å; W110-L126 HydrophobicContact CZ3-CD2 4.25Å; W110-M127 HydrophobicContact CH2-CG 3.66Å; W110-M127 HydrophobicContact CH2-SD 4.07Å; W110-M127 HydrophobicContact CZ2-CG 3.67Å; W110-M127 HydrophobicContact CZ2-SD 3.49Å; W110-M127 WeakPolarHBondContact CZ2-SD 3.37Å; W110-L130 HydrophobicContact CZ2-CD1 4.06Å; W110-S143 PolarHBondContact N-O 2.88Å; W110-I144 HydrophobicContact CB-CG1 4.1Å; W110-I144 HydrophobicContact CE3-CD1 3.67Å; W110-I144 HydrophobicContact CE3-CG1 4.4Å; W110-I144 HydrophobicContact CZ3-CD1 4.27Å; W110-I144 WeakPolarHBondContact O-CA 3.42Å; W110-E145 PolarHBondContact O-N 2.84Å; W110-F164 HydrophobicContact CD2-CE1 4.16Å; W110-F164 AromaticContact CD2-CZ 3.74Å; W110-F164 HydrophobicContact CD2-CZ 3.74Å; W110-F164 AromaticContact CE2-CZ 3.84Å; W110-F164 HydrophobicContact CE3-CE1 4.26Å; W110-F164 AromaticContact CE3-CZ 3.65Å; W110-F164 HydrophobicContact CE3-CZ 3.65Å; W110-F164 HydrophobicContact CG-CE1 4.45Å; W110-F164 HydrophobicContact CG-CZ 4.46Å; W110-F164 HydrophobicContact CH2-CE2 4.18Å; W110-F164 AromaticContact CH2-CZ 3.79Å; W110-F164 HydrophobicContact CH2-CZ 3.79Å; W110-F164 AromaticContact CZ2-CZ 3.86Å; W110-F164 HydrophobicContact CZ2-CZ 3.86Å; W110-F164 HydrophobicContact CZ3-CE2 4.2Å; W110-F164 AromaticContact CZ3-CZ 3.68Å; W110-F164 HydrophobicContact CZ3-CZ 3.68Å
111G97.9Very high97.8Very high0 Ų026.4 Ų26.40%018%0.177CC..EExtended strand (participates in β ladder)trans-137.5-170.617700000112.3V57 H58 I59 E145V57-G111 PolarHBondContact O-N 3.33Å; V57-G111 VanDerWaalsContact O-N 3.14Å; H58-G111 WeakPolarHBondContact CA-O 3.41Å; I59-G111 PolarHBondContact N-O 3.34Å; G111-E145 WeakPolarHBondContact CA-OE1 3.35Å; G111-E145 WeakPolarHBondContact CA-OE2 3.32Å
112G93.2Very high97.9Very high10 Ų1023 Ų2310%0.10315%0.148CC..EExtended strand (participates in β ladder)trans126.6-106.2166.600000114H58 E145H58-G112 WeakPolarHBondContact CE1-CA 3.45Å; H58-G112 WeakPolarHBondContact ND1-CA 3.32Å; G112-E145 PolarHBondContact N-OE2 2.84Å; G112-E145 VanDerWaalsContact N-OE2 3.16Å
113G93Very high97.9Very high18 Ų1819.9 Ų19.919%0.18612%0.116CC..SBendtrans-82-82.3170.700000109.9I59 C62I59-G113 WeakPolarHBondContact O-CA 3.42Å; I59-G113 PolarHBondContact O-N 2.98Å; C62-G113 WeakPolarHBondContact SG-CA 3.42Å
114T97.8Very high98Very high10 Ų1020.9 Ų20.96%0.06113%0.125CC..  trans-148.995.3177.1-53.50000108.4I59 F61 C62 T116 Y117 D147I59-T114 PolarHBondContact O-N 3.36Å; F61-T114 VanDerWaalsContact O-CB 3.29Å; F61-T114 WeakPolarHBondContact O-CB 3.5Å; F61-T114 PolarHBondContact O-N 2.76Å; C62-T114 PolarHBondContact SG-OG1 3.28Å; C62-T114 VanDerWaalsContact SG-OG1 3.33Å; T114-T116 WeakPolarHBondContact CG2-OG1 3.28Å; T114-T116 PolarHBondContact O-N 3.05Å; T114-Y117 WeakPolarHBondContact O-CB 3.26Å; T114-Y117 PolarHBondContact O-N 2.66Å; T114-D147 HydrophobicContact CG2-CB 3.45Å; T114-D147 VanDerWaalsContact CG2-CB 3.45Å
115P98.5Very high98Very high1 Ų120.1 Ų20.11%0.00612%0.119CC..G310 helixtrans-51.5-38.5175.8-30.236.1000113.8I59 W110 Y117 L118 I144 E145I59-P115 HydrophobicContact CB-CB 4.4Å; I59-P115 HydrophobicContact CB-CG 4.42Å; I59-P115 HydrophobicContact CG1-CB 4.3Å; W110-P115 HydrophobicContact CB-CB 4.01Å; W110-P115 HydrophobicContact CB-CG 4.12Å; W110-P115 WeakPolarHBondContact O-CG 3.04Å; P115-Y117 PolarHBondContact O-N 2.87Å; P115-Y117 VanDerWaalsContact O-N 3.14Å; P115-L118 WeakPolarHBondContact O-CB 3.15Å; P115-L118 WeakPolarHBondContact O-CG 3.47Å; P115-L118 PolarHBondContact O-N 3.22Å; P115-L118 VanDerWaalsContact O-N 3.12Å; P115-I144 HydrophobicContact CB-CD1 3.74Å; P115-I144 HydrophobicContact CB-CG1 3.53Å; P115-I144 HydrophobicContact CG-CG1 4.18Å; P115-E145 WeakPolarHBondContact CD-O 3.29Å; P115-E145 HydrophobicContact CG-CB 4.06Å
116T97.9Very high98Very high13 Ų1320.1 Ų20.18%0.0812%0.119CC..G310 helixtrans-73.26.6175.541.30000114.8T114 I144 V146 D147 I151 L159T114-T116 WeakPolarHBondContact CG2-OG1 3.28Å; T114-T116 PolarHBondContact O-N 3.05Å; T116-I144 HydrophobicContact CG2-CD1 4.21Å; T116-V146 HydrophobicContact CG2-CB 4.42Å; T116-V146 HydrophobicContact CG2-CG1 4.23Å; T116-V146 HydrophobicContact CG2-CG2 3.97Å; T116-D147 PolarHBondContact OG1-N 3.4Å; T116-I151 HydrophobicContact CG2-CD1 3.85Å; T116-L159 HydrophobicContact CG2-CD1 4.31Å
117Y98.2Very high98Very high8 Ų819.5 Ų19.53%0.03111%0.114CC..G310 helixtrans-65.6-29.6161.2-173-83.9000111.3F61 H63 T76 Q79 A82 T114 P115 N119F61-Y117 HydrophobicContact CB-CD1 3.56Å; F61-Y117 HydrophobicContact CB-CD2 3.93Å; F61-Y117 HydrophobicContact CB-CE1 3.83Å; F61-Y117 HydrophobicContact CB-CE2 4.15Å; F61-Y117 HydrophobicContact CB-CG 3.63Å; F61-Y117 HydrophobicContact CD2-CD1 4.38Å; F61-Y117 HydrophobicContact CG-CD1 4.27Å; F61-Y117 HydrophobicContact CG-CE1 4.3Å; H63-Y117 AromaticContact CD2-CD2 3.83Å; H63-Y117 AromaticContact CE1-CD2 3.37Å; H63-Y117 WeakPolarHBondContact CE1-CD2 3.47Å; H63-Y117 AromaticContact CE1-CE2 3.52Å; H63-Y117 AromaticContact CG-CD2 3.86Å; H63-Y117 AromaticContact CG-CE2 3.98Å; H63-Y117 AromaticContact ND1-CD2 3.6Å; H63-Y117 AromaticContact ND1-CE2 3.42Å; H63-Y117 WeakPolarHBondContact ND1-CE2 3.47Å; H63-Y117 AromaticContact NE2-CD2 3.48Å; H63-Y117 WeakPolarHBondContact NE2-CD2 3.32Å; T76-Y117 WeakPolarHBondContact O-CE2 3.48Å; T76-Y117 PolarHBondContact O-OH 3.26Å; Q79-Y117 HydrophobicContact CG-CE1 4.41Å; A82-Y117 HydrophobicContact CB-CD1 4.32Å; A82-Y117 HydrophobicContact CB-CE1 4.24Å; T114-Y117 WeakPolarHBondContact O-CB 3.26Å; T114-Y117 PolarHBondContact O-N 2.66Å; P115-Y117 PolarHBondContact O-N 2.87Å; P115-Y117 VanDerWaalsContact O-N 3.14Å; Y117-N119 PolarHBondContact O-N 3.15Å
118L98.6Very high98Very high3 Ų324.8 Ų24.82%0.01614%0.137CC..SBendtrans-65.2130.8173-59-174.6000109.2I59 A82 L86 W110 P115 Q122 I123 L126I59-L118 HydrophobicContact CD1-CD1 4.06Å; I59-L118 HydrophobicContact CG1-CD1 4.36Å; I59-L118 HydrophobicContact CG2-CD2 4.35Å; I59-L118 HydrophobicContact CG2-CG 4.19Å; A82-L118 HydrophobicContact CB-CD2 3.79Å; L86-L118 HydrophobicContact CD2-CD1 4.33Å; W110-L118 HydrophobicContact CZ3-CD1 4.4Å; P115-L118 WeakPolarHBondContact O-CB 3.15Å; P115-L118 WeakPolarHBondContact O-CG 3.47Å; P115-L118 PolarHBondContact O-N 3.22Å; P115-L118 VanDerWaalsContact O-N 3.12Å; L118-Q122 HydrophobicContact CB-CB 3.93Å; L118-Q122 HydrophobicContact CD2-CB 4.29Å; L118-I123 HydrophobicContact CB-CG1 3.85Å; L118-I123 WeakPolarHBondContact O-CD1 3.34Å; L118-L126 HydrophobicContact CD1-CD2 4.24Å
119N98.1Very high98Very high67 Ų6725.5 Ų25.536%0.35814%0.141SC..  trans-72.9171171.168.945.5000110.7Y117 A121 Q122 I123Y117-N119 PolarHBondContact O-N 3.15Å; N119-A121 PolarHBondContact O-N 3.46Å; N119-A121 PolarHBondContact OD1-N 3.12Å; N119-A121 VanDerWaalsContact OD1-N 3.11Å; N119-Q122 VanDerWaalsContact ND2-CD 3.3Å; N119-Q122 PolarHBondContact ND2-NE2 3.37Å; N119-Q122 PolarHBondContact ND2-OE1 2.96Å; N119-Q122 WeakPolarHBondContact O-CB 3.39Å; N119-Q122 PolarHBondContact O-N 3.02Å; N119-Q122 WeakPolarHBondContact OD1-CG 3.48Å; N119-Q122 PolarHBondContact OD1-N 2.85Å; N119-I123 WeakPolarHBondContact O-CG1 3.46Å; N119-I123 PolarHBondContact O-N 3.41Å
120K98.7Very high98.1Very high71 Ų7124.6 Ų24.631%0.30914%0.137SC..Hα-helixtrans-53.1-47.6-177.9-62-174.8-172.4-176.70113.4Q122 I123 S124 D154 H158K120-Q122 VanDerWaalsContact C-N 3.27Å; K120-Q122 PolarHBondContact O-N 3.01Å; K120-I123 PolarHBondContact O-N 2.84Å; K120-S124 PolarHBondContact O-N 3.08Å; K120-S124 PolarHBondContact O-OG 3.46Å; K120-D154 VanDerWaalsContact CE-OD1 3.3Å; K120-D154 WeakPolarHBondContact CE-OD1 3.33Å; K120-D154 PolarHBondContact NZ-O 3.04Å; K120-D154 IonicContact NZ-OD1 2.68Å; K120-D154 PolarHBondContact NZ-OD1 3.48Å; K120-D154 IonicContact NZ-OD2 3.43Å; K120-D154 PolarHBondContact NZ-OD2 3.16Å; K120-H158 HydrophobicContact CD-CB 4.09Å; K120-H158 HydrophobicContact CG-CB 4.26Å; K120-H158 PolarHBondContact O-NE2 3.44Å
121A98.7Very high98Very high73 Ų7329.4 Ų29.460%0.60316%0.155SC*.Hα-helixtrans-61.4-37179.500000112.4N119 R125N119-A121 PolarHBondContact O-N 3.46Å; N119-A121 PolarHBondContact OD1-N 3.12Å; N119-A121 VanDerWaalsContact OD1-N 3.11Å; A121-R125 WeakPolarHBondContact O-CB 3.47Å; A121-R125 PolarHBondContact O-N 3.45Å
122Q98.8Very high98.1Very high4 Ų435.5 Ų35.52%0.01918%0.184CC..Hα-helixtrans-71.2-38.3176.6-73.9166.2-12.100112.5Q79 D83 L86 L118 N119 K120 R125 L126Q79-Q122 VanDerWaalsContact NE2-NE2 3.17Å; D83-Q122 PolarHBondContact OD1-NE2 3.41Å; D83-Q122 PolarHBondContact OD2-NE2 3.27Å; D83-Q122 VanDerWaalsContact OD2-NE2 3.16Å; L86-Q122 HydrophobicContact CD1-CB 3.67Å; L86-Q122 HydrophobicContact CD1-CG 3.88Å; L86-Q122 WeakPolarHBondContact CD1-O 3.1Å; L118-Q122 HydrophobicContact CB-CB 3.93Å; L118-Q122 HydrophobicContact CD2-CB 4.29Å; N119-Q122 VanDerWaalsContact ND2-CD 3.3Å; N119-Q122 PolarHBondContact ND2-NE2 3.37Å; N119-Q122 PolarHBondContact ND2-OE1 2.96Å; N119-Q122 WeakPolarHBondContact O-CB 3.39Å; N119-Q122 PolarHBondContact O-N 3.02Å; N119-Q122 WeakPolarHBondContact OD1-CG 3.48Å; N119-Q122 PolarHBondContact OD1-N 2.85Å; K120-Q122 VanDerWaalsContact C-N 3.27Å; K120-Q122 PolarHBondContact O-N 3.01Å; Q122-R125 PolarHBondContact O-N 3.02Å; Q122-L126 PolarHBondContact O-N 2.85Å
123I98.9Very high98.3Very high0 Ų037.6 Ų37.60%019%0.192CC..Hα-helixtrans-60.2-53.4172.4-67.7167.1000109.8W110 L118 N119 K120 R125 L126 M127 V155 L159 E162 F164W110-I123 HydrophobicContact CH2-CG2 4.14Å; W110-I123 HydrophobicContact CZ3-CB 4.41Å; W110-I123 HydrophobicContact CZ3-CG1 4.27Å; W110-I123 HydrophobicContact CZ3-CG2 4.02Å; L118-I123 HydrophobicContact CB-CG1 3.85Å; L118-I123 WeakPolarHBondContact O-CD1 3.34Å; N119-I123 WeakPolarHBondContact O-CG1 3.46Å; N119-I123 PolarHBondContact O-N 3.41Å; K120-I123 PolarHBondContact O-N 2.84Å; I123-R125 VanDerWaalsContact C-N 3.3Å; I123-R125 PolarHBondContact O-N 2.83Å; I123-L126 PolarHBondContact O-N 3.45Å; I123-M127 PolarHBondContact O-N 2.86Å; I123-V155 HydrophobicContact CD1-CG1 4.24Å; I123-L159 HydrophobicContact CD1-CD2 4.06Å; I123-L159 HydrophobicContact CG2-CD2 3.9Å; I123-E162 HydrophobicContact CG2-CG 4.23Å; I123-F164 HydrophobicContact CG2-CE2 4.39Å
124S98.9Very high98.6Very high34 Ų3437.3 Ų37.324%0.23819%0.186CC..Hα-helixtrans-57.3-42.4176.4-63.20000112.2K120 L126 M127 K128 H158 E162K120-S124 PolarHBondContact O-N 3.08Å; K120-S124 PolarHBondContact O-OG 3.46Å; S124-L126 PolarHBondContact O-N 3.2Å; S124-M127 PolarHBondContact O-N 2.6Å; S124-K128 WeakPolarHBondContact O-CB 3.35Å; S124-K128 PolarHBondContact O-N 3.47Å; S124-H158 PolarHBondContact OG-CE1 3.45Å; S124-H158 PolarHBondContact OG-NE2 2.94Å; S124-H158 VanDerWaalsContact OG-NE2 3.1Å; S124-E162 WeakPolarHBondContact CA-OE1 3.46Å; S124-E162 VanDerWaalsContact CB-OE1 3.25Å; S124-E162 WeakPolarHBondContact CB-OE1 3.21Å; S124-E162 PolarHBondContact OG-OE1 2.86Å
125R98.8Very high98.7Very high70 Ų7041.9 Ų41.926%0.26421%0.207SC..Hα-helixtrans-57.9-50.3178.2179.1-178.5175.9-168.9-0.3111.1L86 D87 E90 A121 Q122 I123 K128 L129L86-R125 HydrophobicContact CD1-CB 4.43Å; L86-R125 HydrophobicContact CD1-CG 4.49Å; D87-R125 IonicContact OD1-CZ 3.88Å; D87-R125 IonicContact OD1-NH1 3.57Å; D87-R125 PolarHBondContact OD1-NH1 3.33Å; D87-R125 IonicContact OD1-NH2 3.73Å; D87-R125 PolarHBondContact OD1-NH2 2.88Å; E90-R125 IonicContact OE2-CZ 3.63Å; E90-R125 IonicContact OE2-NE 3.21Å; E90-R125 IonicContact OE2-NH2 3.37Å; E90-R125 PolarHBondContact OE2-NH2 3.23Å; A121-R125 WeakPolarHBondContact O-CB 3.47Å; A121-R125 PolarHBondContact O-N 3.45Å; Q122-R125 PolarHBondContact O-N 3.02Å; I123-R125 VanDerWaalsContact C-N 3.3Å; I123-R125 PolarHBondContact O-N 2.83Å; R125-K128 PolarHBondContact O-N 3.09Å; R125-L129 HydrophobicContact CG-CD1 4.31Å; R125-L129 WeakPolarHBondContact O-CG 3.35Å; R125-L129 PolarHBondContact O-N 3.19Å
126L98.9Very high98.7Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-68.4-42.9-178.1-178.657.8000112.1V57 I59 L86 L89 I93 W110 L118 Q122 I123 S124 K128 L129 L130V57-L126 HydrophobicContact CG1-CD2 4.16Å; I59-L126 HydrophobicContact CD1-CD2 3.99Å; L86-L126 HydrophobicContact CD2-CB 3.99Å; L86-L126 HydrophobicContact CD2-CD1 4.23Å; L86-L126 HydrophobicContact CD2-CD2 4.05Å; L86-L126 HydrophobicContact CD2-CG 4.31Å; L89-L126 HydrophobicContact CD1-CD1 4.26Å; L89-L126 HydrophobicContact CD1-CD2 4.47Å; I93-L126 HydrophobicContact CD1-CD1 4.03Å; W110-L126 HydrophobicContact CD2-CD2 4.21Å; W110-L126 HydrophobicContact CE3-CD2 4.46Å; W110-L126 HydrophobicContact CH2-CB 3.87Å; W110-L126 HydrophobicContact CH2-CD2 3.73Å; W110-L126 HydrophobicContact CH2-CG 3.92Å; W110-L126 HydrophobicContact CZ2-CB 3.9Å; W110-L126 HydrophobicContact CZ2-CD2 3.41Å; W110-L126 VanDerWaalsContact CZ2-CD2 3.41Å; W110-L126 HydrophobicContact CZ2-CG 3.47Å; W110-L126 VanDerWaalsContact CZ2-CG 3.47Å; W110-L126 HydrophobicContact CZ3-CD2 4.25Å; L118-L126 HydrophobicContact CD1-CD2 4.24Å; Q122-L126 PolarHBondContact O-N 2.85Å; I123-L126 PolarHBondContact O-N 3.45Å; S124-L126 PolarHBondContact O-N 3.2Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 2.88Å; L126-L129 PolarHBondContact O-N 2.89Å; L126-L130 HydrophobicContact CD1-CD1 4.36Å; L126-L130 HydrophobicContact CD1-CG 4.37Å; L126-L130 HydrophobicContact CG-CD1 4.19Å; L126-L130 WeakPolarHBondContact O-CG 3.48Å; L126-L130 PolarHBondContact O-N 3.35Å
127M98.9Very high98.7Very high0 Ų045.1 Ų45.10%022%0.222CC..Hα-helixtrans-62.2-40.7176.1-81.3-55.4-62.500112.1L108 W110 I123 S124 L130 R131 I142 E162 F164L108-M127 HydrophobicContact CD2-CE 4.01Å; L108-M127 HydrophobicContact CD2-SD 3.57Å; L108-M127 VanDerWaalsContact CD2-SD 3.57Å; W110-M127 HydrophobicContact CH2-CG 3.66Å; W110-M127 HydrophobicContact CH2-SD 4.07Å; W110-M127 HydrophobicContact CZ2-CG 3.67Å; W110-M127 HydrophobicContact CZ2-SD 3.49Å; W110-M127 WeakPolarHBondContact CZ2-SD 3.37Å; I123-M127 PolarHBondContact O-N 2.86Å; S124-M127 PolarHBondContact O-N 2.6Å; M127-L130 PolarHBondContact O-N 2.91Å; M127-L130 HydrophobicContact SD-CD1 4.37Å; M127-R131 HydrophobicContact CE-CG 4.45Å; M127-R131 WeakPolarHBondContact O-CB 3.35Å; M127-R131 WeakPolarHBondContact O-CG 3.33Å; M127-R131 PolarHBondContact O-N 2.86Å; M127-I142 HydrophobicContact CE-CG2 4.42Å; M127-E162 HydrophobicContact CG-CB 4.18Å; M127-F164 HydrophobicContact CG-CE2 3.68Å; M127-F164 HydrophobicContact CG-CZ 4.12Å; M127-F164 HydrophobicContact SD-CE2 3.75Å; M127-F164 HydrophobicContact SD-CZ 3.71Å
128K98.9Very high98.7Very high120 Ų12050.3 Ų50.352%0.52227%0.266SS..Hα-helixtrans-58.7-50.8173.9-179.5-179.1176.3-174.50111.2S124 R125 L126 L130 R131 E132S124-K128 WeakPolarHBondContact O-CB 3.35Å; S124-K128 PolarHBondContact O-N 3.47Å; R125-K128 PolarHBondContact O-N 3.09Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 2.88Å; K128-L130 VanDerWaalsContact C-N 3.31Å; K128-L130 PolarHBondContact O-N 3.07Å; K128-R131 PolarHBondContact O-N 2.59Å; K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 WeakPolarHBondContact CE-OE2 3.33Å; K128-E132 HydrophobicContact CG-CG 4.23Å; K128-E132 IonicContact NZ-OE1 2.76Å; K128-E132 WeakPolarHBondContact O-CB 3.44Å; K128-E132 WeakPolarHBondContact O-CG 3.44Å; K128-E132 PolarHBondContact O-N 2.72Å
129L98.8Very high98.6Very high15 Ų1556.7 Ų56.78%0.07930%0.301CS..Hα-helixtrans-55.6-46177.7-75.4169.7000111.9E90 I93 R125 L126 N133E90-L129 HydrophobicContact CB-CD1 3.76Å; E90-L129 HydrophobicContact CB-CD2 4.36Å; E90-L129 HydrophobicContact CG-CD1 4.08Å; E90-L129 HydrophobicContact CG-CD2 3.77Å; I93-L129 HydrophobicContact CD1-CB 4.32Å; R125-L129 HydrophobicContact CG-CD1 4.31Å; R125-L129 WeakPolarHBondContact O-CG 3.35Å; R125-L129 PolarHBondContact O-N 3.19Å; L126-L129 PolarHBondContact O-N 2.89Å; L129-N133 WeakPolarHBondContact O-CB 3.29Å; L129-N133 PolarHBondContact O-N 3.33Å; L129-N133 PolarHBondContact O-ND2 2.75Å
130L98.9Very high98.6Very high0 Ų053.7 Ų53.70%029%0.285CS..Hα-helixtrans-63.5-46.1178.3-68.6168.2000111.7L55 V57 I93 L108 W110 L126 M127 K128 E132 N133 F134 F136 M324L55-L130 HydrophobicContact CD1-CD2 4.31Å; V57-L130 HydrophobicContact CG2-CD1 4.21Å; V57-L130 HydrophobicContact CG2-CD2 4.4Å; I93-L130 HydrophobicContact CD1-CD2 3.86Å; I93-L130 HydrophobicContact CD1-CG 4.35Å; I93-L130 HydrophobicContact CG1-CD2 4.36Å; L108-L130 HydrophobicContact CD1-CD1 4Å; L108-L130 HydrophobicContact CD2-CD1 3.83Å; W110-L130 HydrophobicContact CZ2-CD1 4.06Å; L126-L130 HydrophobicContact CD1-CD1 4.36Å; L126-L130 HydrophobicContact CD1-CG 4.37Å; L126-L130 HydrophobicContact CG-CD1 4.19Å; L126-L130 WeakPolarHBondContact O-CG 3.48Å; L126-L130 PolarHBondContact O-N 3.35Å; M127-L130 PolarHBondContact O-N 2.91Å; M127-L130 HydrophobicContact SD-CD1 4.37Å; K128-L130 VanDerWaalsContact C-N 3.31Å; K128-L130 PolarHBondContact O-N 3.07Å; L130-E132 PolarHBondContact O-N 3.13Å; L130-N133 PolarHBondContact O-N 3.04Å; L130-F134 HydrophobicContact CD2-CD2 4.27Å; L130-F134 HydrophobicContact CD2-CE2 4.15Å; L130-F134 WeakPolarHBondContact O-CD2 3.47Å; L130-F134 PolarHBondContact O-N 3.01Å; L130-F136 HydrophobicContact CB-CE2 4.2Å; L130-F136 HydrophobicContact CB-CZ 4.19Å; L130-M324 HydrophobicContact CD2-CE 3.89Å
131R98.7Very high98.6Very high101 Ų10151.6 Ų51.638%0.38128%0.276SS..Hα-helixtrans-69.5-30.1-179.1-71.5-175-176.1-70.41.7113.8M127 K128 F136 E162M127-R131 HydrophobicContact CE-CG 4.45Å; M127-R131 WeakPolarHBondContact O-CB 3.35Å; M127-R131 WeakPolarHBondContact O-CG 3.33Å; M127-R131 PolarHBondContact O-N 2.86Å; K128-R131 PolarHBondContact O-N 2.59Å; R131-F136 HydrophobicContact CG-CD2 4.26Å; R131-F136 HydrophobicContact CG-CE2 4.35Å; R131-E162 PolarHBondContact NH2-O 3.39Å
132E98.6Very high98.6Very high128 Ų12848.4 Ų48.460%0.59825%0.249SC*.Hα-helixtrans-77.2-24.6177.1-73.5-179.9159.300112.5K128 L130K128-E132 WeakPolarHBondContact CE-OE1 3.42Å; K128-E132 WeakPolarHBondContact CE-OE2 3.33Å; K128-E132 HydrophobicContact CG-CG 4.23Å; K128-E132 IonicContact NZ-OE1 2.76Å; K128-E132 WeakPolarHBondContact O-CB 3.44Å; K128-E132 WeakPolarHBondContact O-CG 3.44Å; K128-E132 PolarHBondContact O-N 2.72Å; L130-E132 PolarHBondContact O-N 3.13Å
133N98.8Very high98.6Very high54 Ų5448.7 Ų48.729%0.28925%0.251SS..Hα-helixtrans-105.6-20.5-175.9-73.6-84.4000114.3I93 A97 L129 L130I93-N133 HydrophobicContact CG2-CB 3.67Å; A97-N133 HydrophobicContact CB-CB 3.67Å; L129-N133 WeakPolarHBondContact O-CB 3.29Å; L129-N133 PolarHBondContact O-N 3.33Å; L129-N133 PolarHBondContact O-ND2 2.75Å; L130-N133 PolarHBondContact O-N 3.04Å
134F98.8Very high98.6Very high11 Ų1148.7 Ų48.75%0.04825%0.251CS..SBendtrans-125.4146.1177.4-60.6-86.6000111.7L53 L55 I93 A97 F100 V105 L130 F136 L322 M324L53-F134 HydrophobicContact CD2-CD1 4Å; L53-F134 HydrophobicContact CD2-CE1 4.16Å; L55-F134 HydrophobicContact CD1-CB 4.33Å; L55-F134 HydrophobicContact CD1-CD1 4.37Å; L55-F134 HydrophobicContact CD1-CD2 3.84Å; L55-F134 HydrophobicContact CD1-CE2 4.18Å; L55-F134 HydrophobicContact CD1-CG 3.94Å; L55-F134 HydrophobicContact CD2-CD1 4.37Å; L55-F134 HydrophobicContact CD2-CE1 4.13Å; L55-F134 HydrophobicContact CD2-CZ 4.28Å; I93-F134 HydrophobicContact CG2-CE2 4.13Å; A97-F134 HydrophobicContact CB-CD1 4.25Å; A97-F134 HydrophobicContact CB-CD2 4.27Å; A97-F134 HydrophobicContact CB-CE1 3.74Å; A97-F134 HydrophobicContact CB-CE2 3.76Å; A97-F134 HydrophobicContact CB-CG 4.5Å; A97-F134 HydrophobicContact CB-CZ 3.47Å; A97-F134 VanDerWaalsContact CB-CZ 3.47Å; F100-F134 HydrophobicContact CB-CD1 4.37Å; F100-F134 HydrophobicContact CB-CE1 4.15Å; F100-F134 HydrophobicContact CD2-CE1 4.24Å; F100-F134 HydrophobicContact CG-CE1 4.44Å; V105-F134 HydrophobicContact CG2-CB 3.74Å; V105-F134 HydrophobicContact CG2-CD1 4.45Å; V105-F134 HydrophobicContact CG2-CG 4.36Å; L130-F134 HydrophobicContact CD2-CD2 4.27Å; L130-F134 HydrophobicContact CD2-CE2 4.15Å; L130-F134 WeakPolarHBondContact O-CD2 3.47Å; L130-F134 PolarHBondContact O-N 3.01Å; F134-F136 HydrophobicContact CB-CD2 4.38Å; F134-F136 HydrophobicContact CB-CE2 4.04Å; F134-F136 WeakPolarHBondContact O-CD2 3.31Å; F134-F136 PolarHBondContact O-N 3.14Å; F134-L322 HydrophobicContact CE1-CD2 3.96Å; F134-L322 HydrophobicContact CZ-CD2 3.76Å; F134-M324 HydrophobicContact CE2-CE 4.22Å; F134-M324 HydrophobicContact CE2-SD 4.19Å; F134-M324 HydrophobicContact CZ-CE 4.32Å; F134-M324 HydrophobicContact CZ-SD 4.16Å
135Q98.7Very high98.6Very high107 Ų10749.3 Ų49.350%0.525%0.251SS..EExtended strand (participates in β ladder)trans-85.6104.3176.8-174.6172.7-1.300111H104 V105H104-Q135 VanDerWaalsContact CE1-CD 3.48Å; H104-Q135 PolarHBondContact CE1-NE2 2.82Å; V105-Q135 PolarHBondContact N-O 2.92Å
136F98.8Very high98.5Very high32 Ų3246.2 Ų46.214%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-81.2137.7176.8-78.2-109.4000112.3L55 V105 L108 L130 R131 F134 A140 I142L55-F136 HydrophobicContact CD1-CE2 4.39Å; L55-F136 HydrophobicContact CD1-CZ 4.02Å; V105-F136 HydrophobicContact CB-CD1 4.22Å; V105-F136 HydrophobicContact CB-CD2 4.36Å; V105-F136 HydrophobicContact CB-CE1 4.42Å; V105-F136 HydrophobicContact CB-CG 4.19Å; V105-F136 HydrophobicContact CG1-CD1 3.9Å; V105-F136 HydrophobicContact CG1-CE1 3.75Å; V105-F136 HydrophobicContact CG1-CE2 4.5Å; V105-F136 HydrophobicContact CG1-CG 4.36Å; V105-F136 HydrophobicContact CG1-CZ 4.06Å; L108-F136 HydrophobicContact CB-CE1 3.92Å; L108-F136 HydrophobicContact CB-CZ 4.44Å; L108-F136 HydrophobicContact CD2-CE1 3.97Å; L108-F136 HydrophobicContact CD2-CZ 4.01Å; L130-F136 HydrophobicContact CB-CE2 4.2Å; L130-F136 HydrophobicContact CB-CZ 4.19Å; R131-F136 HydrophobicContact CG-CD2 4.26Å; R131-F136 HydrophobicContact CG-CE2 4.35Å; F134-F136 HydrophobicContact CB-CD2 4.38Å; F134-F136 HydrophobicContact CB-CE2 4.04Å; F134-F136 WeakPolarHBondContact O-CD2 3.31Å; F134-F136 PolarHBondContact O-N 3.14Å; F136-A140 HydrophobicContact CD1-CB 4.25Å; F136-I142 HydrophobicContact CD1-CD1 4.17Å; F136-I142 HydrophobicContact CE1-CD1 4.31Å
137N98.6Very high98.5Very high49 Ų4946.6 Ų46.626%0.26224%0.241SC..EExtended strand (participates in β ladder)trans-66.9146.5162.8-69.4-12.8000109.9H104 V105 D139 A140H104-N137 WeakPolarHBondContact CB-OD1 3.48Å; H104-N137 PolarHBondContact ND1-OD1 3.03Å; V105-N137 WeakPolarHBondContact O-CB 3.22Å; V105-N137 PolarHBondContact O-N 2.92Å; N137-D139 WeakPolarHBondContact CB-OD1 3.47Å; N137-D139 PolarHBondContact O-N 2.95Å; N137-A140 HydrophobicContact CB-CB 4.4Å; N137-A140 WeakPolarHBondContact O-CB 3.35Å; N137-A140 PolarHBondContact O-N 3.11Å
138A97.8Very high98.4Very high117 Ų11746.7 Ų46.797%0.96724%0.242SC*.EExtended strand (participates in β ladder)trans-64-28.7-178.800000112.7
139D97.3Very high98.3Very high138 Ų13842.1 Ų42.174%0.73822%0.222SC*.EExtended strand (participates in β ladder)trans-103.217.1179.663.8-22.5000113N137 E141N137-D139 WeakPolarHBondContact CB-OD1 3.47Å; N137-D139 PolarHBondContact O-N 2.95Å; D139-E141 PolarHBondContact O-N 3.32Å
140A98.2Very high98Very high3 Ų346.4 Ų46.43%0.02524%0.241CC..EExtended strand (participates in β ladder)trans-54.7140.2179.300000111.9S106 F136 N137 I142 N165S106-A140 WeakPolarHBondContact O-CA 3.25Å; F136-A140 HydrophobicContact CD1-CB 4.25Å; N137-A140 HydrophobicContact CB-CB 4.4Å; N137-A140 WeakPolarHBondContact O-CB 3.35Å; N137-A140 PolarHBondContact O-N 3.11Å; A140-I142 HydrophobicContact CB-CG1 4.22Å; A140-I142 PolarHBondContact O-N 2.84Å; A140-N165 PolarHBondContact O-ND2 2.82Å
141E98.1Very high97.9Very high27 Ų2747 Ų4713%0.12624%0.244CC..EExtended strand (participates in β ladder)trans-74.9114.4170.4177.2179.513900109S106 Q107 L108 D139 R166S106-E141 PolarHBondContact O-N 3.01Å; Q107-E141 CarbonylContact C-O 3.47Å; Q107-E141 VanDerWaalsContact CA-O 3.26Å; Q107-E141 WeakPolarHBondContact CA-O 3.43Å; Q107-E141 HydrophobicContact CG-CB 4.15Å; Q107-E141 HydrophobicContact CG-CG 4.35Å; L108-E141 PolarHBondContact N-O 2.76Å; D139-E141 PolarHBondContact O-N 3.32Å; E141-R166 HydrophobicContact CG-CG 4.39Å; E141-R166 IonicContact OE1-NH1 3.32Å; E141-R166 PolarHBondContact OE1-NH1 3.05Å; E141-R166 IonicContact OE2-CZ 2.81Å; E141-R166 IonicContact OE2-NE 3.85Å; E141-R166 IonicContact OE2-NH1 3.06Å; E141-R166 PolarHBondContact OE2-NH1 2.96Å; E141-R166 IonicContact OE2-NH2 2.76Å
142I98.5Very high97.8Very high7 Ų748.6 Ų48.64%0.03626%0.256CS..EExtended strand (participates in β ladder)trans-121.1110-176.6-56.8179.1000108.6L108 M127 F136 A140 F164 N165 R166L108-I142 HydrophobicContact CB-CG1 4.4Å; L108-I142 HydrophobicContact CB-CG2 4.34Å; L108-I142 HydrophobicContact CD2-CG2 4.03Å; L108-I142 HydrophobicContact CG-CG2 4.4Å; L108-I142 WeakPolarHBondContact O-CA 3.44Å; M127-I142 HydrophobicContact CE-CG2 4.42Å; F136-I142 HydrophobicContact CD1-CD1 4.17Å; F136-I142 HydrophobicContact CE1-CD1 4.31Å; A140-I142 HydrophobicContact CB-CG1 4.22Å; A140-I142 PolarHBondContact O-N 2.84Å; I142-F164 HydrophobicContact CG2-CB 4.39Å; I142-F164 HydrophobicContact CG2-CD1 3.55Å; I142-F164 HydrophobicContact CG2-CD2 4.38Å; I142-F164 HydrophobicContact CG2-CE1 3.75Å; I142-F164 HydrophobicContact CG2-CG 3.88Å; I142-F164 HydrophobicContact CG2-CZ 4.27Å; I142-F164 WeakPolarHBondContact O-CA 3.5Å; I142-N165 PolarHBondContact N-OD1 3.05Å; I142-N165 PolarHBondContact O-N 2.72Å; I142-N165 PolarHBondContact O-OD1 3.41Å; I142-N165 VanDerWaalsContact O-OD1 3.05Å; I142-R166 PolarHBondContact O-N 2.83Å; I142-R166 VanDerWaalsContact O-N 3.16Å
143S98.4Very high97.7Very high9 Ų945.4 Ų45.46%0.06324%0.242CC..EExtended strand (participates in β ladder)trans-127.2150.9-16659.20000113.2L108 H109 W110 R166L108-S143 PolarHBondContact O-N 2.86Å; L108-S143 PolarHBondContact O-OG 2.82Å; L108-S143 VanDerWaalsContact O-OG 3.05Å; H109-S143 WeakPolarHBondContact CA-O 3.37Å; H109-S143 WeakPolarHBondContact CB-OG 3.36Å; H109-S143 PolarHBondContact ND1-OG 2.86Å; W110-S143 PolarHBondContact N-O 2.88Å; S143-R166 WeakPolarHBondContact CA-O 3.32Å
144I98.6Very high97.7Very high1 Ų146.6 Ų46.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-145.4143.3-177.9-171.6167.6000112.3W110 P115 T116 V146 L159 F164 R166 L167 S168W110-I144 HydrophobicContact CB-CG1 4.1Å; W110-I144 HydrophobicContact CE3-CD1 3.67Å; W110-I144 HydrophobicContact CE3-CG1 4.4Å; W110-I144 HydrophobicContact CZ3-CD1 4.27Å; W110-I144 WeakPolarHBondContact O-CA 3.42Å; P115-I144 HydrophobicContact CB-CD1 3.74Å; P115-I144 HydrophobicContact CB-CG1 3.53Å; P115-I144 HydrophobicContact CG-CG1 4.18Å; T116-I144 HydrophobicContact CG2-CD1 4.21Å; I144-V146 HydrophobicContact CG2-CG2 4.34Å; I144-L159 HydrophobicContact CD1-CD1 4.42Å; I144-L159 HydrophobicContact CD1-CD2 3.67Å; I144-L159 HydrophobicContact CG2-CD1 4.23Å; I144-L159 HydrophobicContact CG2-CD2 4.49Å; I144-F164 HydrophobicContact CB-CD1 3.68Å; I144-F164 HydrophobicContact CB-CE1 3.66Å; I144-F164 HydrophobicContact CD1-CE1 4.25Å; I144-F164 HydrophobicContact CD1-CZ 4.36Å; I144-F164 HydrophobicContact CG1-CE1 4.4Å; I144-F164 HydrophobicContact CG2-CD1 3.74Å; I144-F164 HydrophobicContact CG2-CE1 4.21Å; I144-F164 HydrophobicContact CG2-CG 4.32Å; I144-R166 PolarHBondContact N-O 3.03Å; I144-L167 HydrophobicContact CG2-CB 4.29Å; I144-L167 CarbonylContact O-C 3.57Å; I144-L167 VanDerWaalsContact O-CA 3.25Å; I144-L167 WeakPolarHBondContact O-CA 3.27Å; I144-S168 PolarHBondContact O-N 2.95Å
145E98.4Very high97.7Very high47 Ų4747 Ų4722%0.2225%0.252CS..EExtended strand (participates in β ladder)trans-84.8138168.8-63.5171.4-162.500111.8H109 W110 G111 G112 P115 S168 Q311H109-E145 IonicContact NE2-OE1 2.85Å; H109-E145 PolarHBondContact NE2-OE1 3.05Å; W110-E145 PolarHBondContact O-N 2.84Å; G111-E145 WeakPolarHBondContact CA-OE1 3.35Å; G111-E145 WeakPolarHBondContact CA-OE2 3.32Å; G112-E145 PolarHBondContact N-OE2 2.84Å; G112-E145 VanDerWaalsContact N-OE2 3.16Å; P115-E145 WeakPolarHBondContact CD-O 3.29Å; P115-E145 HydrophobicContact CG-CB 4.06Å; E145-S168 CarbonylContact C-O 3.55Å; E145-S168 WeakPolarHBondContact CA-O 3.46Å; E145-Q311 PolarHBondContact OE1-NE2 2.94Å
146V98.3Very high97.7Very high5 Ų541.9 Ų41.93%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-126.1128.5-174.5-177.20000111.3T116 I144 I151 L167 S168 M169 G170 L194T116-V146 HydrophobicContact CG2-CB 4.42Å; T116-V146 HydrophobicContact CG2-CG1 4.23Å; T116-V146 HydrophobicContact CG2-CG2 3.97Å; I144-V146 HydrophobicContact CG2-CG2 4.34Å; V146-I151 HydrophobicContact CG1-CD1 3.97Å; V146-L167 HydrophobicContact CG2-CB 4.3Å; V146-S168 PolarHBondContact N-O 3.17Å; V146-M169 WeakPolarHBondContact O-CA 3.26Å; V146-G170 PolarHBondContact O-N 2.87Å; V146-L194 HydrophobicContact CG1-CD2 4.17Å
147D97.8Very high97.7Very high7 Ų743.6 Ų43.64%0.03724%0.239CC..  trans-90.8119.6164.1-17311000108.1T114 T116 R149 R184T114-D147 HydrophobicContact CG2-CB 3.45Å; T114-D147 VanDerWaalsContact CG2-CB 3.45Å; T116-D147 PolarHBondContact OG1-N 3.4Å; D147-R149 PolarHBondContact O-N 2.79Å; D147-R149 IonicContact OD1-CZ 3.61Å; D147-R149 IonicContact OD1-NE 3.15Å; D147-R149 PolarHBondContact OD1-NE 2.94Å; D147-R149 IonicContact OD1-NH2 3.49Å; D147-R149 PolarHBondContact OD1-NH2 2.76Å; D147-R149 IonicContact OD2-CZ 2.66Å; D147-R149 IonicContact OD2-NE 2.87Å; D147-R149 PolarHBondContact OD2-NE 3.46Å; D147-R149 IonicContact OD2-NH2 3.55Å; D147-R149 PolarHBondContact OD2-NH2 2.9Å; D147-R184 IonicContact OD1-CZ 3.4Å; D147-R184 IonicContact OD1-NH1 3.05Å; D147-R184 IonicContact OD1-NH2 3.96Å; D147-R184 PolarHBondContact OD1-NH2 3.23Å
148P97.5Very high97.7Very high2 Ų243.1 Ų43.11%0.01324%0.235CC..SBendtrans-79.138.6-175.734.5-38.1000112.7M169 G170 F190 I191 L194P148-M169 HydrophobicContact CB-CG 4.05Å; P148-M169 HydrophobicContact CB-SD 3.77Å; P148-M169 HydrophobicContact CG-CG 4Å; P148-M169 HydrophobicContact CG-SD 4.17Å; P148-G170 WeakPolarHBondContact CD-O 3.43Å; P148-F190 WeakPolarHBondContact O-CD1 3.3Å; P148-I191 HydrophobicContact CB-CG1 3.71Å; P148-I191 HydrophobicContact CG-CD1 4.14Å; P148-I191 HydrophobicContact CG-CG1 3.79Å; P148-L194 HydrophobicContact CB-CD2 3.79Å
149R95.7Very high97.7Very high25 Ų2537.5 Ų37.59%0.09419%0.189CC..SBendtrans-138.7144.2-177.7-59.4177.2-62.2164.26.2109.1D147 I151 R184 E185 Q186D147-R149 PolarHBondContact O-N 2.79Å; D147-R149 IonicContact OD1-CZ 3.61Å; D147-R149 IonicContact OD1-NE 3.15Å; D147-R149 PolarHBondContact OD1-NE 2.94Å; D147-R149 IonicContact OD1-NH2 3.49Å; D147-R149 PolarHBondContact OD1-NH2 2.76Å; D147-R149 IonicContact OD2-CZ 2.66Å; D147-R149 IonicContact OD2-NE 2.87Å; D147-R149 PolarHBondContact OD2-NE 3.46Å; D147-R149 IonicContact OD2-NH2 3.55Å; D147-R149 PolarHBondContact OD2-NH2 2.9Å; R149-I151 PolarHBondContact O-N 3.48Å; R149-R184 VanDerWaalsContact NH2-NH1 3.19Å; R149-E185 WeakPolarHBondContact CD-O 3.44Å; R149-Q186 HydrophobicContact CG-CB 3.84Å
150E93.7Very high97.8Very high105 Ų10535 Ų3549%0.49117%0.169SC..SBendtrans54.932.1179.6-51.9-174-147.500112.4H63 R77H63-E150 IonicContact CG-OE2 2.65Å; H63-E150 IonicContact ND1-OE2 3.88Å; R77-E150 IonicContact CZ-OE1 3.96Å; R77-E150 IonicContact CZ-OE2 3.31Å; R77-E150 VanDerWaalsContact NH1-CD 3.34Å; R77-E150 IonicContact NH1-OE1 2.76Å; R77-E150 PolarHBondContact NH1-OE1 3.2Å; R77-E150 VanDerWaalsContact NH1-OE1 3.15Å; R77-E150 IonicContact NH1-OE2 2.85Å; R77-E150 PolarHBondContact NH1-OE2 3.06Å; R77-E150 IonicContact NH2-OE1 3.5Å; R77-E150 PolarHBondContact NH2-OE1 3.37Å; R77-E150 IonicContact NH2-OE2 3.82Å
151I95.6Very high97.8Very high12 Ų1239 Ų396%0.06220%0.202CC..  trans-129142.6178.7-170.2176.9000108.7T116 V146 R149 V155 F190 L194T116-I151 HydrophobicContact CG2-CD1 3.85Å; V146-I151 HydrophobicContact CG1-CD1 3.97Å; R149-I151 PolarHBondContact O-N 3.48Å; I151-V155 HydrophobicContact CD1-CB 4.06Å; I151-V155 HydrophobicContact CD1-CG1 3.95Å; I151-V155 HydrophobicContact CG1-CB 3.91Å; I151-V155 HydrophobicContact CG1-CG1 4.19Å; I151-V155 HydrophobicContact CG1-CG2 3.95Å; I151-F190 HydrophobicContact CG2-CE1 3.8Å; I151-F190 HydrophobicContact CG2-CZ 4.12Å; I151-F190 WeakPolarHBondContact O-CZ 3.1Å; I151-L194 HydrophobicContact CG2-CD2 4.26Å
152E96.8Very high97.8Very high135 Ų13539.7 Ų39.763%0.63121%0.205SC*.  trans-94.4149.2173-61.2-58.514000110.3D154 V155E152-D154 PolarHBondContact O-N 2.76Å; E152-D154 VanDerWaalsContact O-N 3.17Å; E152-V155 WeakPolarHBondContact O-CB 3.09Å; E152-V155 WeakPolarHBondContact O-CG2 3.33Å; E152-V155 PolarHBondContact O-N 2.63Å; E152-V155 VanDerWaalsContact O-N 3.1Å
153L97.5Very high97.8Very high60 Ų6040.3 Ų40.331%0.31421%0.213SC..THydrogen-bonded Turntrans-56.3-35.7-178.9-66.4179.7000112.5V155 L156 F190 A193 L194 H197L153-V155 PolarHBondContact O-N 2.52Å; L153-V155 VanDerWaalsContact O-N 3.11Å; L153-L156 WeakPolarHBondContact O-CB 3.21Å; L153-L156 PolarHBondContact O-N 2.83Å; L153-F190 HydrophobicContact CD2-CE2 3.89Å; L153-F190 HydrophobicContact CD2-CZ 4.05Å; L153-F190 HydrophobicContact CG-CE2 4.06Å; L153-F190 HydrophobicContact CG-CZ 4.49Å; L153-A193 HydrophobicContact CD1-CB 4.4Å; L153-A193 HydrophobicContact CD2-CB 4.32Å; L153-L194 HydrophobicContact CD2-CB 3.94Å; L153-L194 HydrophobicContact CD2-CD1 3.64Å; L153-L194 HydrophobicContact CD2-CG 4.41Å; L153-H197 PolarHBondContact O-CD2 2.89Å
154D98.2Very high97.8Very high80 Ų8039.9 Ų39.943%0.42821%0.21SC..Hα-helixtrans-71.3-4.2-176.578.9-8000114.3K120 E152 L156 D157 H158K120-D154 VanDerWaalsContact CE-OD1 3.3Å; K120-D154 WeakPolarHBondContact CE-OD1 3.33Å; K120-D154 PolarHBondContact NZ-O 3.04Å; K120-D154 IonicContact NZ-OD1 2.68Å; K120-D154 PolarHBondContact NZ-OD1 3.48Å; K120-D154 IonicContact NZ-OD2 3.43Å; K120-D154 PolarHBondContact NZ-OD2 3.16Å; E152-D154 PolarHBondContact O-N 2.76Å; E152-D154 VanDerWaalsContact O-N 3.17Å; D154-L156 VanDerWaalsContact C-N 3.31Å; D154-D157 WeakPolarHBondContact CA-OD2 3.32Å; D154-H158 PolarHBondContact O-N 2.71Å
155V98.5Very high97.8Very high19 Ų1941.6 Ų41.612%0.11522%0.219CC..Hα-helixtrans-69.9-32.1166.3177.80000110.2I123 I151 E152 L153 H158 L159I123-V155 HydrophobicContact CD1-CG1 4.24Å; I151-V155 HydrophobicContact CD1-CB 4.06Å; I151-V155 HydrophobicContact CD1-CG1 3.95Å; I151-V155 HydrophobicContact CG1-CB 3.91Å; I151-V155 HydrophobicContact CG1-CG1 4.19Å; I151-V155 HydrophobicContact CG1-CG2 3.95Å; E152-V155 WeakPolarHBondContact O-CB 3.09Å; E152-V155 WeakPolarHBondContact O-CG2 3.33Å; E152-V155 PolarHBondContact O-N 2.63Å; E152-V155 VanDerWaalsContact O-N 3.1Å; L153-V155 PolarHBondContact O-N 2.52Å; L153-V155 VanDerWaalsContact O-N 3.11Å; V155-H158 WeakPolarHBondContact O-CB 3.44Å; V155-H158 PolarHBondContact O-N 3.05Å; V155-L159 HydrophobicContact CG1-CD1 4.17Å; V155-L159 HydrophobicContact CG1-CG 4.36Å; V155-L159 VanDerWaalsContact O-CG 3.29Å; V155-L159 WeakPolarHBondContact O-CG 3.33Å; V155-L159 PolarHBondContact O-N 3.06Å
156L98.6Very high97.8Very high0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-67.7-39.8176.3-61-170.8000112L153 D154 H158 L159 R160 L167 L194 A198 I201L153-L156 WeakPolarHBondContact O-CB 3.21Å; L153-L156 PolarHBondContact O-N 2.83Å; D154-L156 VanDerWaalsContact C-N 3.31Å; L156-H158 VanDerWaalsContact C-N 3.28Å; L156-H158 PolarHBondContact O-N 2.97Å; L156-L159 HydrophobicContact CD2-CD1 4.1Å; L156-L159 PolarHBondContact O-N 3.1Å; L156-R160 WeakPolarHBondContact O-CB 3.35Å; L156-R160 PolarHBondContact O-N 3.44Å; L156-L167 HydrophobicContact CD2-CD2 4.27Å; L156-L194 HydrophobicContact CD1-CD1 3.47Å; L156-L194 VanDerWaalsContact CD1-CD1 3.47Å; L156-L194 HydrophobicContact CD1-CG 3.96Å; L156-L194 VanDerWaalsContact CD1-O 3.23Å; L156-L194 WeakPolarHBondContact CD1-O 3.5Å; L156-L194 HydrophobicContact CD2-CD1 4.19Å; L156-L194 HydrophobicContact CG-CD1 3.71Å; L156-A198 HydrophobicContact CD1-CB 3.81Å; L156-I201 HydrophobicContact CB-CD1 3.75Å
157D98.6Very high97.8Very high68 Ų6840.8 Ų40.836%0.36421%0.214SC..Hα-helixtrans-60-43173.1-59.9-81.7000111D154 R160 A161 H197D154-D157 WeakPolarHBondContact CA-OD2 3.32Å; D157-R160 PolarHBondContact O-N 3.48Å; D157-A161 WeakPolarHBondContact O-CB 3.38Å; D157-A161 PolarHBondContact O-N 2.96Å; D157-H197 IonicContact OD1-CE1 2.76Å; D157-H197 IonicContact OD1-NE2 3.43Å; D157-H197 PolarHBondContact OD1-NE2 3.18Å; D157-H197 IonicContact OD2-CD2 2.74Å; D157-H197 IonicContact OD2-CE1 3.73Å; D157-H197 IonicContact OD2-NE2 2.68Å; D157-H197 PolarHBondContact OD2-NE2 2.75Å
158H98.8Very high97.8Very high38 Ų3841.3 Ų41.318%0.17622%0.218CC..Hα-helixtrans-63.6-46.3176.9-174.568.6000111.9K120 S124 D154 V155 L156 R160 A161 E162K120-H158 HydrophobicContact CD-CB 4.09Å; K120-H158 HydrophobicContact CG-CB 4.26Å; K120-H158 PolarHBondContact O-NE2 3.44Å; S124-H158 PolarHBondContact OG-CE1 3.45Å; S124-H158 PolarHBondContact OG-NE2 2.94Å; S124-H158 VanDerWaalsContact OG-NE2 3.1Å; D154-H158 PolarHBondContact O-N 2.71Å; V155-H158 WeakPolarHBondContact O-CB 3.44Å; V155-H158 PolarHBondContact O-N 3.05Å; L156-H158 VanDerWaalsContact C-N 3.28Å; L156-H158 PolarHBondContact O-N 2.97Å; H158-R160 VanDerWaalsContact C-N 3.29Å; H158-R160 PolarHBondContact O-N 2.93Å; H158-A161 WeakPolarHBondContact O-CB 3.4Å; H158-A161 PolarHBondContact O-N 3.22Å; H158-E162 IonicContact CE1-OE1 2.75Å; H158-E162 IonicContact NE2-OE1 3.27Å; H158-E162 WeakPolarHBondContact O-CG 3.46Å; H158-E162 PolarHBondContact O-N 3.33Å
159L98.8Very high97.8Very high0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-58-42.7174-72.6167.7000111.4T116 I123 I144 V155 L156 A161 E162 G163 F164 F203T116-L159 HydrophobicContact CG2-CD1 4.31Å; I123-L159 HydrophobicContact CD1-CD2 4.06Å; I123-L159 HydrophobicContact CG2-CD2 3.9Å; I144-L159 HydrophobicContact CD1-CD1 4.42Å; I144-L159 HydrophobicContact CD1-CD2 3.67Å; I144-L159 HydrophobicContact CG2-CD1 4.23Å; I144-L159 HydrophobicContact CG2-CD2 4.49Å; V155-L159 HydrophobicContact CG1-CD1 4.17Å; V155-L159 HydrophobicContact CG1-CG 4.36Å; V155-L159 VanDerWaalsContact O-CG 3.29Å; V155-L159 WeakPolarHBondContact O-CG 3.33Å; V155-L159 PolarHBondContact O-N 3.06Å; L156-L159 HydrophobicContact CD2-CD1 4.1Å; L156-L159 PolarHBondContact O-N 3.1Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.88Å; L159-E162 PolarHBondContact O-N 2.74Å; L159-G163 PolarHBondContact O-N 3.15Å; L159-F164 HydrophobicContact CB-CB 4.19Å; L159-F164 HydrophobicContact CB-CD2 4.14Å; L159-F164 HydrophobicContact CB-CG 4.37Å; L159-F164 HydrophobicContact CD2-CD2 3.65Å; L159-F164 HydrophobicContact CD2-CE2 3.79Å; L159-F164 HydrophobicContact CD2-CG 4.15Å; L159-F164 HydrophobicContact CD2-CZ 4.41Å; L159-F164 WeakPolarHBondContact O-CB 3.18Å; L159-F164 WeakPolarHBondContact O-CD2 3.22Å; L159-F164 PolarHBondContact O-N 2.75Å; L159-F203 HydrophobicContact CB-CZ 4.18Å
160R98.5Very high97.9Very high85 Ų8540.5 Ų40.532%0.32122%0.219SC..Hα-helixtrans-62.9-42177.5-158.475.7-165.979.60.8111.5L156 D157 H158 E162 G163 F164 I201 G202 F203L156-R160 WeakPolarHBondContact O-CB 3.35Å; L156-R160 PolarHBondContact O-N 3.44Å; D157-R160 PolarHBondContact O-N 3.48Å; H158-R160 VanDerWaalsContact C-N 3.29Å; H158-R160 PolarHBondContact O-N 2.93Å; R160-E162 VanDerWaalsContact C-N 3.32Å; R160-E162 PolarHBondContact O-N 2.8Å; R160-G163 WeakPolarHBondContact O-CA 3.48Å; R160-G163 PolarHBondContact O-N 2.73Å; R160-F164 VanDerWaalsContact CD-O 3.32Å; R160-F164 WeakPolarHBondContact CD-O 3.34Å; R160-F164 PolarHBondContact NH1-O 2.7Å; R160-I201 HydrophobicContact CB-CD1 4.18Å; R160-G202 PolarHBondContact NE-O 3.45Å; R160-G202 PolarHBondContact NH2-O 3.47Å; R160-F203 HydrophobicContact CB-CE2 4.07Å; R160-F203 HydrophobicContact CG-CE2 4.4Å
161A98.5Very high98.1Very high86 Ų8635.5 Ų35.571%0.71120%0.195SC*.Hα-helixtrans-64.3-33.4176.200000113.1D157 H158 L159 G163D157-A161 WeakPolarHBondContact O-CB 3.38Å; D157-A161 PolarHBondContact O-N 2.96Å; H158-A161 WeakPolarHBondContact O-CB 3.4Å; H158-A161 PolarHBondContact O-N 3.22Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.88Å; A161-G163 PolarHBondContact O-N 3.32Å
162E98.7Very high98.2Very high42 Ų4235.7 Ų35.720%0.19620%0.196CC..Hα-helixtrans-74.7-8.8173.3-67.2-64.8163.100113.2I123 S124 M127 R131 H158 L159 R160 F164I123-E162 HydrophobicContact CG2-CG 4.23Å; S124-E162 WeakPolarHBondContact CA-OE1 3.46Å; S124-E162 VanDerWaalsContact CB-OE1 3.25Å; S124-E162 WeakPolarHBondContact CB-OE1 3.21Å; S124-E162 PolarHBondContact OG-OE1 2.86Å; M127-E162 HydrophobicContact CG-CB 4.18Å; R131-E162 PolarHBondContact NH2-O 3.39Å; H158-E162 IonicContact CE1-OE1 2.75Å; H158-E162 IonicContact NE2-OE1 3.27Å; H158-E162 WeakPolarHBondContact O-CG 3.46Å; H158-E162 PolarHBondContact O-N 3.33Å; L159-E162 PolarHBondContact O-N 2.74Å; R160-E162 VanDerWaalsContact C-N 3.32Å; R160-E162 PolarHBondContact O-N 2.8Å; E162-F164 HydrophobicContact CB-CD2 4.19Å; E162-F164 HydrophobicContact CB-CE2 4.34Å
163G98.5Very high98.3Very high20 Ų2029.4 Ų29.421%0.20617%0.167CC..THydrogen-bonded Turntrans102.34.3173.500000115.1L159 R160 A161 N165L159-G163 PolarHBondContact O-N 3.15Å; R160-G163 WeakPolarHBondContact O-CA 3.48Å; R160-G163 PolarHBondContact O-N 2.73Å; A161-G163 PolarHBondContact O-N 3.32Å; G163-N165 PolarHBondContact O-N 3.32Å
164F98.8Very high98.3Very high0 Ų026.6 Ų26.60%015%0.152CC..  trans-60.4132.8170.9-70.4-92.2000109.8W110 I123 M127 I142 I144 L159 R160 E162 F203W110-F164 HydrophobicContact CD2-CE1 4.16Å; W110-F164 AromaticContact CD2-CZ 3.74Å; W110-F164 HydrophobicContact CD2-CZ 3.74Å; W110-F164 AromaticContact CE2-CZ 3.84Å; W110-F164 HydrophobicContact CE3-CE1 4.26Å; W110-F164 AromaticContact CE3-CZ 3.65Å; W110-F164 HydrophobicContact CE3-CZ 3.65Å; W110-F164 HydrophobicContact CG-CE1 4.45Å; W110-F164 HydrophobicContact CG-CZ 4.46Å; W110-F164 HydrophobicContact CH2-CE2 4.18Å; W110-F164 AromaticContact CH2-CZ 3.79Å; W110-F164 HydrophobicContact CH2-CZ 3.79Å; W110-F164 AromaticContact CZ2-CZ 3.86Å; W110-F164 HydrophobicContact CZ2-CZ 3.86Å; W110-F164 HydrophobicContact CZ3-CE2 4.2Å; W110-F164 AromaticContact CZ3-CZ 3.68Å; W110-F164 HydrophobicContact CZ3-CZ 3.68Å; I123-F164 HydrophobicContact CG2-CE2 4.39Å; M127-F164 HydrophobicContact CG-CE2 3.68Å; M127-F164 HydrophobicContact CG-CZ 4.12Å; M127-F164 HydrophobicContact SD-CE2 3.75Å; M127-F164 HydrophobicContact SD-CZ 3.71Å; I142-F164 HydrophobicContact CG2-CB 4.39Å; I142-F164 HydrophobicContact CG2-CD1 3.55Å; I142-F164 HydrophobicContact CG2-CD2 4.38Å; I142-F164 HydrophobicContact CG2-CE1 3.75Å; I142-F164 HydrophobicContact CG2-CG 3.88Å; I142-F164 HydrophobicContact CG2-CZ 4.27Å; I142-F164 WeakPolarHBondContact O-CA 3.5Å; I144-F164 HydrophobicContact CB-CD1 3.68Å; I144-F164 HydrophobicContact CB-CE1 3.66Å; I144-F164 HydrophobicContact CD1-CE1 4.25Å; I144-F164 HydrophobicContact CD1-CZ 4.36Å; I144-F164 HydrophobicContact CG1-CE1 4.4Å; I144-F164 HydrophobicContact CG2-CD1 3.74Å; I144-F164 HydrophobicContact CG2-CE1 4.21Å; I144-F164 HydrophobicContact CG2-CG 4.32Å; L159-F164 HydrophobicContact CB-CB 4.19Å; L159-F164 HydrophobicContact CB-CD2 4.14Å; L159-F164 HydrophobicContact CB-CG 4.37Å; L159-F164 HydrophobicContact CD2-CD2 3.65Å; L159-F164 HydrophobicContact CD2-CE2 3.79Å; L159-F164 HydrophobicContact CD2-CG 4.15Å; L159-F164 HydrophobicContact CD2-CZ 4.41Å; L159-F164 WeakPolarHBondContact O-CB 3.18Å; L159-F164 WeakPolarHBondContact O-CD2 3.22Å; L159-F164 PolarHBondContact O-N 2.75Å; R160-F164 VanDerWaalsContact CD-O 3.32Å; R160-F164 WeakPolarHBondContact CD-O 3.34Å; R160-F164 PolarHBondContact NH1-O 2.7Å; E162-F164 HydrophobicContact CB-CD2 4.19Å; E162-F164 HydrophobicContact CB-CE2 4.34Å; F164-F203 HydrophobicContact CB-CE1 3.96Å; F164-F203 HydrophobicContact CB-CZ 4.05Å
165N98.4Very high98.3Very high37 Ų3724.4 Ų24.420%0.19814%0.14CC..  trans-127.1-6.2-177.155.223.3000113.2A140 I142 G163 F203 T204A140-N165 PolarHBondContact O-ND2 2.82Å; I142-N165 PolarHBondContact N-OD1 3.05Å; I142-N165 PolarHBondContact O-N 2.72Å; I142-N165 PolarHBondContact O-OD1 3.41Å; I142-N165 VanDerWaalsContact O-OD1 3.05Å; G163-N165 PolarHBondContact O-N 3.32Å; N165-F203 VanDerWaalsContact C-CD1 3.49Å; N165-T204 PolarHBondContact O-N 3.48Å
166R98.1Very high98.3Very high29 Ų2928.1 Ų28.111%0.10916%0.155CC..EExtended strand (participates in β ladder)trans-133.7152.7171.4-60.5-169.3178-170.3-6.5111.7E141 I142 S143 I144 E296E141-R166 HydrophobicContact CG-CG 4.39Å; E141-R166 IonicContact OE1-NH1 3.32Å; E141-R166 PolarHBondContact OE1-NH1 3.05Å; E141-R166 IonicContact OE2-CZ 2.81Å; E141-R166 IonicContact OE2-NE 3.85Å; E141-R166 IonicContact OE2-NH1 3.06Å; E141-R166 PolarHBondContact OE2-NH1 2.96Å; E141-R166 IonicContact OE2-NH2 2.76Å; I142-R166 PolarHBondContact O-N 2.83Å; I142-R166 VanDerWaalsContact O-N 3.16Å; S143-R166 WeakPolarHBondContact CA-O 3.32Å; I144-R166 PolarHBondContact N-O 3.03Å; R166-E296 IonicContact CZ-OE1 3.9Å; R166-E296 IonicContact CZ-OE2 3.57Å; R166-E296 IonicContact NH1-OE1 2.68Å; R166-E296 PolarHBondContact NH1-OE1 3.46Å; R166-E296 IonicContact NH1-OE2 3.59Å; R166-E296 IonicContact NH2-OE1 3.85Å; R166-E296 PolarHBondContact NH2-OE1 3.05Å; R166-E296 IonicContact NH2-OE2 3.71Å; R166-E296 PolarHBondContact NH2-OE2 3.23Å
167L98Very high98.3Very high6 Ų633.1 Ų33.13%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-141.9152.3170.374.388.2000112I144 V146 L156 M169 A198 F203 T206 N207I144-L167 HydrophobicContact CG2-CB 4.29Å; I144-L167 CarbonylContact O-C 3.57Å; I144-L167 VanDerWaalsContact O-CA 3.25Å; I144-L167 WeakPolarHBondContact O-CA 3.27Å; V146-L167 HydrophobicContact CG2-CB 4.3Å; L156-L167 HydrophobicContact CD2-CD2 4.27Å; L167-M169 HydrophobicContact CD1-CB 4.06Å; L167-M169 HydrophobicContact CD1-CE 4.23Å; L167-A198 HydrophobicContact CD2-CB 3.62Å; L167-F203 HydrophobicContact CB-CD1 4.28Å; L167-F203 HydrophobicContact CB-CE1 4.32Å; L167-F203 HydrophobicContact CD2-CD1 3.99Å; L167-F203 HydrophobicContact CD2-CD2 4.35Å; L167-F203 HydrophobicContact CD2-CE1 4.27Å; L167-F203 HydrophobicContact CD2-CG 4.03Å; L167-F203 HydrophobicContact CG-CD1 4.35Å; L167-T206 HydrophobicContact CD1-CG2 3.61Å; L167-T206 HydrophobicContact CG-CG2 4Å; L167-T206 WeakPolarHBondContact O-CA 3.32Å; L167-N207 PolarHBondContact O-N 3.39Å
168S97.9Very high98.3Very high18 Ų1829.9 Ų29.913%0.12616%0.161CC..EExtended strand (participates in β ladder)trans-118134.7165.2172.90000109.1I144 E145 V146 N207I144-S168 PolarHBondContact O-N 2.95Å; E145-S168 CarbonylContact C-O 3.55Å; E145-S168 WeakPolarHBondContact CA-O 3.46Å; V146-S168 PolarHBondContact N-O 3.17Å; S168-N207 CarbonylContact C-O 3.55Å; S168-N207 WeakPolarHBondContact CA-O 3.44Å; S168-N207 PolarHBondContact OG-OD1 2.83Å
169M98Very high98.3Very high0 Ų028.3 Ų28.30%015%0.153CC..EExtended strand (participates in β ladder)trans-119.6125.5-175.6-173.4-175.2-59.900111.7V146 P148 L167 V171 I191 L194 L195 N207 I208 D209V146-M169 WeakPolarHBondContact O-CA 3.26Å; P148-M169 HydrophobicContact CB-CG 4.05Å; P148-M169 HydrophobicContact CB-SD 3.77Å; P148-M169 HydrophobicContact CG-CG 4Å; P148-M169 HydrophobicContact CG-SD 4.17Å; L167-M169 HydrophobicContact CD1-CB 4.06Å; L167-M169 HydrophobicContact CD1-CE 4.23Å; M169-V171 PolarHBondContact O-N 3.14Å; M169-V171 VanDerWaalsContact O-N 3.17Å; M169-I191 HydrophobicContact SD-CG2 4.15Å; M169-L194 HydrophobicContact CE-CB 4.11Å; M169-L194 HydrophobicContact CE-CD2 3.47Å; M169-L194 VanDerWaalsContact CE-CD2 3.47Å; M169-L194 HydrophobicContact CE-CG 3.67Å; M169-L194 HydrophobicContact SD-CD2 4.11Å; M169-L195 HydrophobicContact CE-CB 4.27Å; M169-N207 PolarHBondContact N-O 3.16Å; M169-I208 HydrophobicContact CB-CG2 4.39Å; M169-I208 CarbonylContact O-C 3.54Å; M169-I208 VanDerWaalsContact O-CA 3.28Å; M169-I208 WeakPolarHBondContact O-CA 3.24Å; M169-D209 PolarHBondContact O-N 2.96Å
170G97.3Very high98.3Very high11 Ų1136.8 Ų36.811%0.11319%0.185CC..EExtended strand (participates in β ladder)trans-7897.4178.600000113.1V146 P148 R184V146-G170 PolarHBondContact O-N 2.87Å; P148-G170 WeakPolarHBondContact CD-O 3.43Å; G170-R184 PolarHBondContact O-NH2 3.1Å
171V98.2Very high98.3Very high0 Ų035.3 Ų35.30%018%0.183CC..EExtended strand (participates in β ladder)trans-92.3-47.2174.6176.40000111.2M169 D173 F174 Q186 I191 I208 D209 L210M169-V171 PolarHBondContact O-N 3.14Å; M169-V171 VanDerWaalsContact O-N 3.17Å; V171-D173 PolarHBondContact O-N 2.75Å; V171-F174 HydrophobicContact CG1-CD1 4.17Å; V171-F174 HydrophobicContact CG1-CD2 4.3Å; V171-F174 HydrophobicContact CG1-CE1 3.78Å; V171-F174 HydrophobicContact CG1-CE2 3.93Å; V171-F174 HydrophobicContact CG1-CG 4.41Å; V171-F174 HydrophobicContact CG1-CZ 3.64Å; V171-Q186 PolarHBondContact O-NE2 3.44Å; V171-I191 HydrophobicContact CG2-CG2 4.12Å; V171-I208 HydrophobicContact CG2-CB 4.16Å; V171-I208 HydrophobicContact CG2-CG2 4.25Å; V171-D209 PolarHBondContact N-O 3.11Å; V171-D209 VanDerWaalsContact N-O 3.15Å; V171-L210 HydrophobicContact CB-CD2 4.12Å; V171-L210 HydrophobicContact CG1-CD2 4.05Å
172Q98.1Very high98.3Very high16 Ų1631.3 Ų31.38%0.07515%0.15CC..EExtended strand (participates in β ladder)trans67.8-58.5-178.4-31.4-48.5100.300113.9F68 D209 I211F68-Q172 HydrophobicContact CE1-CB 4.45Å; F68-Q172 HydrophobicContact CE1-CG 4.04Å; F68-Q172 HydrophobicContact CE2-CG 4.47Å; F68-Q172 HydrophobicContact CZ-CB 4.44Å; F68-Q172 HydrophobicContact CZ-CG 3.66Å; Q172-D209 PolarHBondContact N-O 2.94Å; Q172-D209 PolarHBondContact OE1-O 3.39Å; Q172-I211 HydrophobicContact CB-CD1 4.38Å; Q172-I211 HydrophobicContact CB-CG1 4.3Å; Q172-I211 HydrophobicContact CG-CD1 4.47Å; Q172-I211 PolarHBondContact O-N 2.95Å
173D98.6Very high98.3Very high3 Ų331 Ų312%0.01615%0.15CC..  trans-160.4142.8177.2-158.1-26.6000111.1V171 N175 V178 Q179 Q186 Q217 T225V171-D173 PolarHBondContact O-N 2.75Å; D173-N175 VanDerWaalsContact OD1-CB 3.32Å; D173-N175 WeakPolarHBondContact OD1-CB 3.46Å; D173-N175 PolarHBondContact OD1-N 3.27Å; D173-V178 HydrophobicContact CB-CB 4.43Å; D173-V178 HydrophobicContact CB-CG1 4.08Å; D173-V178 WeakPolarHBondContact OD2-CG1 3.28Å; D173-Q179 PolarHBondContact O-NE2 3.24Å; D173-Q186 PolarHBondContact O-NE2 3.09Å; D173-Q186 VanDerWaalsContact O-NE2 3.15Å; D173-Q217 PolarHBondContact OD2-NE2 3.27Å; D173-T225 PolarHBondContact OD1-OG1 2.74Å
174F98.3Very high98.3Very high1 Ų131 Ų310%0.00414%0.144CC..  trans-85.3-18.4170.7-75-59.6000113.1V171 K176 Q179 E188 I191 F192 T225 R228 V229 L232V171-F174 HydrophobicContact CG1-CD1 4.17Å; V171-F174 HydrophobicContact CG1-CD2 4.3Å; V171-F174 HydrophobicContact CG1-CE1 3.78Å; V171-F174 HydrophobicContact CG1-CE2 3.93Å; V171-F174 HydrophobicContact CG1-CG 4.41Å; V171-F174 HydrophobicContact CG1-CZ 3.64Å; F174-K176 PolarHBondContact O-N 2.67Å; F174-Q179 PolarHBondContact O-NE2 2.9Å; F174-E188 HydrophobicContact CD1-CB 4.37Å; F174-E188 HydrophobicContact CD1-CG 3.71Å; F174-E188 HydrophobicContact CE1-CG 3.8Å; F174-I191 HydrophobicContact CE1-CB 4.39Å; F174-I191 HydrophobicContact CE1-CD1 3.88Å; F174-I191 HydrophobicContact CE1-CG2 4.05Å; F174-I191 HydrophobicContact CZ-CG2 4.08Å; F174-F192 HydrophobicContact CZ-CE2 4.38Å; F174-T225 HydrophobicContact CB-CG2 4.4Å; F174-T225 HydrophobicContact CD2-CG2 4.12Å; F174-R228 HydrophobicContact CD2-CB 3.65Å; F174-R228 HydrophobicContact CE2-CB 4.02Å; F174-R228 HydrophobicContact CG-CB 4.28Å; F174-V229 HydrophobicContact CD2-CG2 4.1Å; F174-V229 HydrophobicContact CE2-CG2 3.7Å; F174-L232 HydrophobicContact CZ-CD2 4.09Å
175N98.3Very high98.3Very high33 Ų3335.3 Ų35.318%0.17616%0.164CC..  trans-63.1119.3-179.9-173.6-55.9000111.7D173 E177 V178 Q179D173-N175 VanDerWaalsContact OD1-CB 3.32Å; D173-N175 WeakPolarHBondContact OD1-CB 3.46Å; D173-N175 PolarHBondContact OD1-N 3.27Å; N175-E177 VanDerWaalsContact C-N 3.35Å; N175-E177 PolarHBondContact O-N 3.17Å; N175-E177 WeakPolarHBondContact OD1-CB 3.37Å; N175-E177 PolarHBondContact OD1-N 3.15Å; N175-V178 HydrophobicContact CB-CB 4.09Å; N175-V178 HydrophobicContact CB-CG2 3.76Å; N175-V178 PolarHBondContact O-N 2.69Å; N175-V178 PolarHBondContact OD1-N 3.1Å; N175-Q179 WeakPolarHBondContact O-CG 3.17Å; N175-Q179 PolarHBondContact O-N 3.34Å
176K98.1Very high98.2Very high98 Ų9834.2 Ų34.243%0.42616%0.157SC..Hα-helixtrans-68.3-28.8-174.3-57.8-57.9-178.8-178.50113.9F174 R180 Q186F174-K176 PolarHBondContact O-N 2.67Å; K176-R180 PolarHBondContact O-N 2.7Å; K176-R180 VanDerWaalsContact O-N 3.16Å; K176-Q186 PolarHBondContact NZ-O 3.38Å
177E98.5Very high98.2Very high104 Ų10437.3 Ų37.349%0.48618%0.176SC..Hα-helixtrans-70.4-46.3174.2-174.9175.7-16300110.4N175 Q179 R180 L181 K216N175-E177 VanDerWaalsContact C-N 3.35Å; N175-E177 PolarHBondContact O-N 3.17Å; N175-E177 WeakPolarHBondContact OD1-CB 3.37Å; N175-E177 PolarHBondContact OD1-N 3.15Å; E177-Q179 VanDerWaalsContact C-N 3.35Å; E177-Q179 PolarHBondContact O-N 2.93Å; E177-R180 PolarHBondContact O-N 2.91Å; E177-L181 HydrophobicContact CG-CD1 4.06Å; E177-L181 WeakPolarHBondContact O-CG 3.4Å; E177-L181 PolarHBondContact O-N 2.92Å; E177-K216 HydrophobicContact CG-CG 4.43Å
178V98.6Very high98.2Very high0 Ų038.3 Ų38.30%018%0.181CC..Hα-helixtrans-57.6-49175.8-179.10000110.2D173 N175 R180 L181 V182 L214 P215 Q217D173-V178 HydrophobicContact CB-CB 4.43Å; D173-V178 HydrophobicContact CB-CG1 4.08Å; D173-V178 WeakPolarHBondContact OD2-CG1 3.28Å; N175-V178 HydrophobicContact CB-CB 4.09Å; N175-V178 HydrophobicContact CB-CG2 3.76Å; N175-V178 PolarHBondContact O-N 2.69Å; N175-V178 PolarHBondContact OD1-N 3.1Å; V178-R180 VanDerWaalsContact C-N 3.34Å; V178-R180 PolarHBondContact O-N 3.46Å; V178-L181 PolarHBondContact O-N 2.61Å; V178-L181 VanDerWaalsContact O-N 3.16Å; V178-V182 WeakPolarHBondContact O-CG2 3.37Å; V178-V182 PolarHBondContact O-N 3.32Å; V178-V182 VanDerWaalsContact O-N 3.07Å; V178-L214 HydrophobicContact CG1-CB 3.69Å; V178-L214 HydrophobicContact CG1-CD1 3.84Å; V178-L214 HydrophobicContact CG1-CG 4.44Å; V178-P215 WeakPolarHBondContact CG2-O 3.46Å; V178-Q217 HydrophobicContact CG1-CG 4.34Å; V178-Q217 HydrophobicContact CG2-CG 3.84Å
179Q98.6Very high98.2Very high5 Ų545.2 Ų45.22%0.02321%0.211CC..Hα-helixtrans-53.7-47.2177.4-76.2178.817.200112.5D173 F174 N175 E177 V182 N183 R184 Q186D173-Q179 PolarHBondContact O-NE2 3.24Å; F174-Q179 PolarHBondContact O-NE2 2.9Å; N175-Q179 WeakPolarHBondContact O-CG 3.17Å; N175-Q179 PolarHBondContact O-N 3.34Å; E177-Q179 VanDerWaalsContact C-N 3.35Å; E177-Q179 PolarHBondContact O-N 2.93Å; Q179-V182 CarbonylContact O-C 3.53Å; Q179-V182 PolarHBondContact O-N 3.16Å; Q179-N183 PolarHBondContact O-N 3.32Å; Q179-R184 WeakPolarHBondContact CB-O 3.31Å; Q179-R184 WeakPolarHBondContact CG-O 3.44Å; Q179-R184 PolarHBondContact O-N 2.83Å; Q179-Q186 PolarHBondContact OE1-O 2.98Å
180R98.5Very high98.2Very high179 Ų17947.6 Ų47.668%0.67522%0.221SC*.Hα-helixtrans-61.7-46.3177.6-173.5-171.5-61.7167.31.6111.8K176 E177 V178 V182 N183 E185K176-R180 PolarHBondContact O-N 2.7Å; K176-R180 VanDerWaalsContact O-N 3.16Å; E177-R180 PolarHBondContact O-N 2.91Å; V178-R180 VanDerWaalsContact C-N 3.34Å; V178-R180 PolarHBondContact O-N 3.46Å; R180-V182 PolarHBondContact O-N 3.15Å; R180-N183 PolarHBondContact O-N 3.35Å; R180-N183 VanDerWaalsContact O-N 3.16Å; R180-E185 WeakPolarHBondContact CA-OE1 3.49Å
181L98.5Very high98.3Very high53 Ų5347 Ų4728%0.27722%0.216SC..Hα-helixtrans-66-23.3-177.7-70.2172.6000113.1Y67 E177 V178 P215 K216Y67-L181 WeakPolarHBondContact CD2-O 3.23Å; E177-L181 HydrophobicContact CG-CD1 4.06Å; E177-L181 WeakPolarHBondContact O-CG 3.4Å; E177-L181 PolarHBondContact O-N 2.92Å; V178-L181 PolarHBondContact O-N 2.61Å; V178-L181 VanDerWaalsContact O-N 3.16Å; L181-P215 HydrophobicContact CB-CB 4.34Å; L181-P215 HydrophobicContact CB-CG 3.83Å; L181-P215 HydrophobicContact CD1-CB 4.15Å; L181-P215 HydrophobicContact CD1-CG 4.47Å; L181-K216 HydrophobicContact CD1-CB 4.02Å; L181-K216 HydrophobicContact CD1-CG 3.29Å
182V98.6Very high98.3Very high3 Ų348.7 Ų48.72%0.01822%0.223CC..THydrogen-bonded Turntrans-106.78.1175.9-52.30000114.2C66 Y67 F68 V178 Q179 R180 R184 L214 P215 I255C66-V182 WeakPolarHBondContact CA-O 3.27Å; Y67-V182 PolarHBondContact N-O 2.95Å; F68-V182 HydrophobicContact CD1-CB 3.8Å; F68-V182 HydrophobicContact CD1-CG1 4.3Å; F68-V182 HydrophobicContact CD1-CG2 3.77Å; F68-V182 HydrophobicContact CE1-CG2 4.04Å; V178-V182 WeakPolarHBondContact O-CG2 3.37Å; V178-V182 PolarHBondContact O-N 3.32Å; V178-V182 VanDerWaalsContact O-N 3.07Å; Q179-V182 CarbonylContact O-C 3.53Å; Q179-V182 PolarHBondContact O-N 3.16Å; R180-V182 PolarHBondContact O-N 3.15Å; V182-R184 VanDerWaalsContact C-N 3.31Å; V182-R184 HydrophobicContact CG2-CB 3.93Å; V182-R184 PolarHBondContact O-N 2.77Å; V182-L214 HydrophobicContact CG1-CD2 4.33Å; V182-P215 HydrophobicContact CG1-CG 3.67Å; V182-I255 HydrophobicContact CG1-CD1 4.13Å; V182-I255 HydrophobicContact CG1-CG1 4.47Å
183N98.3Very high98.3Very high34 Ų3449.8 Ų49.818%0.18224%0.235CC..THydrogen-bonded Turntrans54.845-179.5-172.543.8000113L65 Y67 Q179 R180L65-N183 PolarHBondContact O-ND2 3.09Å; Y67-N183 HydrophobicContact CD1-CB 3.88Å; Y67-N183 HydrophobicContact CD2-CB 3.94Å; Y67-N183 HydrophobicContact CE1-CB 3.48Å; Y67-N183 VanDerWaalsContact CE1-CB 3.48Å; Y67-N183 WeakPolarHBondContact CE1-ND2 3.41Å; Y67-N183 HydrophobicContact CE2-CB 3.57Å; Y67-N183 HydrophobicContact CG-CB 4.09Å; Q179-N183 PolarHBondContact O-N 3.32Å; R180-N183 PolarHBondContact O-N 3.35Å; R180-N183 VanDerWaalsContact O-N 3.16Å
184R98.2Very high98.3Very high21 Ų2149.7 Ų49.78%0.07923%0.234CC..  trans-130.343.2176.3-160.9179.8177.577.87.1111.3C66 F68 D147 R149 G170 Q179 V182 Q186C66-R184 PolarHBondContact SG-NH1 3.34Å; F68-R184 HydrophobicContact CE1-CB 4.48Å; D147-R184 IonicContact OD1-CZ 3.4Å; D147-R184 IonicContact OD1-NH1 3.05Å; D147-R184 IonicContact OD1-NH2 3.96Å; D147-R184 PolarHBondContact OD1-NH2 3.23Å; R149-R184 VanDerWaalsContact NH2-NH1 3.19Å; G170-R184 PolarHBondContact O-NH2 3.1Å; Q179-R184 WeakPolarHBondContact CB-O 3.31Å; Q179-R184 WeakPolarHBondContact CG-O 3.44Å; Q179-R184 PolarHBondContact O-N 2.83Å; V182-R184 VanDerWaalsContact C-N 3.31Å; V182-R184 HydrophobicContact CG2-CB 3.93Å; V182-R184 PolarHBondContact O-N 2.77Å; R184-Q186 PolarHBondContact O-N 2.83Å
185E98.3Very high98.2Very high91 Ų9149.7 Ų49.743%0.42524%0.235SC..  trans-55.9131.4166.2-64.3111.4-102.800110.4R149 R180R149-E185 WeakPolarHBondContact CD-O 3.44Å; R180-E185 WeakPolarHBondContact CA-OE1 3.49Å
186Q97.5Very high98.2Very high13 Ų1350.6 Ų50.66%0.06124%0.239CC..  trans-147.6149.9-178.758.5-1640.300110R149 V171 D173 K176 Q179 R184 I191R149-Q186 HydrophobicContact CG-CB 3.84Å; V171-Q186 PolarHBondContact O-NE2 3.44Å; D173-Q186 PolarHBondContact O-NE2 3.09Å; D173-Q186 VanDerWaalsContact O-NE2 3.15Å; K176-Q186 PolarHBondContact NZ-O 3.38Å; Q179-Q186 PolarHBondContact OE1-O 2.98Å; R184-Q186 PolarHBondContact O-N 2.83Å; Q186-I191 HydrophobicContact CB-CD1 4.24Å; Q186-I191 HydrophobicContact CG-CD1 3.74Å
187D98Very high98.2Very high94 Ų9447.6 Ų47.650%0.50323%0.227SC..  trans-80.8126.2176.9-168.6-32.1000109.3E189 F190 I191D187-E189 PolarHBondContact OD1-N 3.41Å; D187-F190 HydrophobicContact CB-CB 3.79Å; D187-F190 PolarHBondContact OD1-N 3.35Å; D187-I191 WeakPolarHBondContact O-CD1 3.46Å; D187-I191 WeakPolarHBondContact O-CG1 3.33Å; D187-I191 PolarHBondContact O-N 3.07Å
188E97.6Very high98.2Very high27 Ų2742.7 Ų42.713%0.12620%0.204CC..Hα-helixtrans-76.7-40.7-178.7-175.4174.9142.900111.7F174 F190 I191 F192 R228F174-E188 HydrophobicContact CD1-CB 4.37Å; F174-E188 HydrophobicContact CD1-CG 3.71Å; F174-E188 HydrophobicContact CE1-CG 3.8Å; E188-F190 PolarHBondContact O-N 3.22Å; E188-I191 PolarHBondContact O-N 2.96Å; E188-I191 VanDerWaalsContact O-N 3.13Å; E188-F192 HydrophobicContact CG-CD2 4.12Å; E188-F192 HydrophobicContact CG-CE2 4.02Å; E188-F192 WeakPolarHBondContact O-CD2 3.44Å; E188-F192 PolarHBondContact O-N 3.21Å; E188-R228 IonicContact OE1-CZ 2.8Å; E188-R228 IonicContact OE1-NE 3.99Å; E188-R228 PolarHBondContact OE1-NE 3.47Å; E188-R228 IonicContact OE1-NH2 3.82Å; E188-R228 PolarHBondContact OE1-NH2 3.12Å
189E98.1Very high98.2Very high163 Ų16347.1 Ų47.176%0.76222%0.22SC*.Hα-helixtrans-61.6-37.8177.3-64.2-174171.300110.2D187 F192 A193D187-E189 PolarHBondContact OD1-N 3.41Å; E189-F192 PolarHBondContact O-N 3Å; E189-A193 WeakPolarHBondContact O-CB 3.44Å; E189-A193 PolarHBondContact O-N 3Å
190F98.3Very high98.1Very high50 Ų5054.3 Ų54.322%0.21925%0.254CS..Hα-helixtrans-65.6-40.8175-171.8-101.2000113.1P148 I151 L153 D187 E188 F192 A193 L194P148-F190 WeakPolarHBondContact O-CD1 3.3Å; I151-F190 HydrophobicContact CG2-CE1 3.8Å; I151-F190 HydrophobicContact CG2-CZ 4.12Å; I151-F190 WeakPolarHBondContact O-CZ 3.1Å; L153-F190 HydrophobicContact CD2-CE2 3.89Å; L153-F190 HydrophobicContact CD2-CZ 4.05Å; L153-F190 HydrophobicContact CG-CE2 4.06Å; L153-F190 HydrophobicContact CG-CZ 4.49Å; D187-F190 HydrophobicContact CB-CB 3.79Å; D187-F190 PolarHBondContact OD1-N 3.35Å; E188-F190 PolarHBondContact O-N 3.22Å; F190-F192 VanDerWaalsContact C-N 3.3Å; F190-F192 PolarHBondContact O-N 3.37Å; F190-A193 PolarHBondContact O-N 3.06Å; F190-L194 HydrophobicContact CE1-CB 4.42Å; F190-L194 HydrophobicContact CE1-CD2 4.15Å; F190-L194 HydrophobicContact CZ-CD1 4.39Å; F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.3Å; F190-L194 PolarHBondContact O-N 2.78Å
191I98.3Very high98.1Very high0 Ų047.8 Ų47.80%023%0.232CC..Hα-helixtrans-59.5-43.9174.8-72.6163.1000110.7P148 M169 V171 F174 Q186 D187 E188 L194 L195 L232P148-I191 HydrophobicContact CB-CG1 3.71Å; P148-I191 HydrophobicContact CG-CD1 4.14Å; P148-I191 HydrophobicContact CG-CG1 3.79Å; M169-I191 HydrophobicContact SD-CG2 4.15Å; V171-I191 HydrophobicContact CG2-CG2 4.12Å; F174-I191 HydrophobicContact CE1-CB 4.39Å; F174-I191 HydrophobicContact CE1-CD1 3.88Å; F174-I191 HydrophobicContact CE1-CG2 4.05Å; F174-I191 HydrophobicContact CZ-CG2 4.08Å; Q186-I191 HydrophobicContact CB-CD1 4.24Å; Q186-I191 HydrophobicContact CG-CD1 3.74Å; D187-I191 WeakPolarHBondContact O-CD1 3.46Å; D187-I191 WeakPolarHBondContact O-CG1 3.33Å; D187-I191 PolarHBondContact O-N 3.07Å; E188-I191 PolarHBondContact O-N 2.96Å; E188-I191 VanDerWaalsContact O-N 3.13Å; I191-L194 PolarHBondContact O-N 3.36Å; I191-L195 PolarHBondContact O-N 3.34Å; I191-L232 HydrophobicContact CG2-CD2 4.02Å
192F98.3Very high98.1Very high35 Ų3546.8 Ų46.815%0.15424%0.235CC..Hα-helixtrans-61.9-46.8175.4-87.4-105000111.6F174 E188 E189 F190 L194 N196 R228 E231 L232F174-F192 HydrophobicContact CZ-CE2 4.38Å; E188-F192 HydrophobicContact CG-CD2 4.12Å; E188-F192 HydrophobicContact CG-CE2 4.02Å; E188-F192 WeakPolarHBondContact O-CD2 3.44Å; E188-F192 PolarHBondContact O-N 3.21Å; E189-F192 PolarHBondContact O-N 3Å; F190-F192 VanDerWaalsContact C-N 3.3Å; F190-F192 PolarHBondContact O-N 3.37Å; F192-L194 VanDerWaalsContact C-N 3.34Å; F192-L194 PolarHBondContact O-N 3.03Å; F192-N196 VanDerWaalsContact O-CB 3.25Å; F192-N196 WeakPolarHBondContact O-CB 3.3Å; F192-N196 PolarHBondContact O-N 2.98Å; F192-N196 PolarHBondContact O-ND2 2.95Å; F192-R228 WeakPolarHBondContact CZ-O 3.29Å; F192-E231 HydrophobicContact CE1-CB 4.09Å; F192-E231 HydrophobicContact CZ-CB 4.12Å; F192-L232 HydrophobicContact CB-CD1 4.29Å; F192-L232 HydrophobicContact CD1-CD1 3.84Å; F192-L232 HydrophobicContact CD2-CD1 4.04Å; F192-L232 HydrophobicContact CE1-CB 4Å; F192-L232 HydrophobicContact CE1-CD1 4.17Å; F192-L232 HydrophobicContact CE2-CB 4.34Å; F192-L232 HydrophobicContact CE2-CD1 4.36Å; F192-L232 HydrophobicContact CG-CD1 3.79Å; F192-L232 HydrophobicContact CZ-CB 3.91Å; F192-L232 HydrophobicContact CZ-CD1 4.42Å
193A98.4Very high98.1Very high39 Ų3946.9 Ų46.932%0.32224%0.235SC..Hα-helixtrans-59.5-44.3176.800000111.9L153 E189 F190 H197L153-A193 HydrophobicContact CD1-CB 4.4Å; L153-A193 HydrophobicContact CD2-CB 4.32Å; E189-A193 WeakPolarHBondContact O-CB 3.44Å; E189-A193 PolarHBondContact O-N 3Å; F190-A193 PolarHBondContact O-N 3.06Å; A193-H197 VanDerWaalsContact O-CB 3.22Å; A193-H197 WeakPolarHBondContact O-CB 3.41Å; A193-H197 PolarHBondContact O-N 2.69Å
194L98.2Very high98Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-65.6-46.4-177.9-170.169.2000112.2V146 P148 I151 L153 L156 M169 F190 I191 F192 A198V146-L194 HydrophobicContact CG1-CD2 4.17Å; P148-L194 HydrophobicContact CB-CD2 3.79Å; I151-L194 HydrophobicContact CG2-CD2 4.26Å; L153-L194 HydrophobicContact CD2-CB 3.94Å; L153-L194 HydrophobicContact CD2-CD1 3.64Å; L153-L194 HydrophobicContact CD2-CG 4.41Å; L156-L194 HydrophobicContact CD1-CD1 3.47Å; L156-L194 VanDerWaalsContact CD1-CD1 3.47Å; L156-L194 HydrophobicContact CD1-CG 3.96Å; L156-L194 VanDerWaalsContact CD1-O 3.23Å; L156-L194 WeakPolarHBondContact CD1-O 3.5Å; L156-L194 HydrophobicContact CD2-CD1 4.19Å; L156-L194 HydrophobicContact CG-CD1 3.71Å; M169-L194 HydrophobicContact CE-CB 4.11Å; M169-L194 HydrophobicContact CE-CD2 3.47Å; M169-L194 VanDerWaalsContact CE-CD2 3.47Å; M169-L194 HydrophobicContact CE-CG 3.67Å; M169-L194 HydrophobicContact SD-CD2 4.11Å; F190-L194 HydrophobicContact CE1-CB 4.42Å; F190-L194 HydrophobicContact CE1-CD2 4.15Å; F190-L194 HydrophobicContact CZ-CD1 4.39Å; F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.3Å; F190-L194 PolarHBondContact O-N 2.78Å; I191-L194 PolarHBondContact O-N 3.36Å; F192-L194 VanDerWaalsContact C-N 3.34Å; F192-L194 PolarHBondContact O-N 3.03Å; L194-A198 PolarHBondContact O-N 2.61Å
195L97.7Very high97.8Very high2 Ų249 Ų491%0.0125%0.253CS..Hα-helixtrans-71.4-37179.4-167142.5000112.2M169 I191 A198 R199 T206 I208 L232 P234M169-L195 HydrophobicContact CE-CB 4.27Å; I191-L195 PolarHBondContact O-N 3.34Å; L195-A198 WeakPolarHBondContact O-CB 3.34Å; L195-A198 PolarHBondContact O-N 2.76Å; L195-R199 PolarHBondContact O-N 3.11Å; L195-R199 VanDerWaalsContact O-N 3.12Å; L195-T206 HydrophobicContact CD1-CG2 3.82Å; L195-T206 HydrophobicContact CG-CG2 4.04Å; L195-I208 HydrophobicContact CD1-CG2 3.64Å; L195-L232 HydrophobicContact CB-CD1 3.87Å; L195-L232 HydrophobicContact CD1-CD1 4.32Å; L195-L232 HydrophobicContact CD1-CD2 4.01Å; L195-L232 HydrophobicContact CD1-CG 4.03Å; L195-L232 HydrophobicContact CD2-CD1 4.11Å; L195-L232 HydrophobicContact CD2-CG 4.18Å; L195-L232 HydrophobicContact CG-CD1 4.31Å; L195-L232 HydrophobicContact CG-CG 4.47Å; L195-P234 HydrophobicContact CD1-CB 4.32Å
196N97.9Very high97.8Very high52 Ų5244.9 Ų44.928%0.27823%0.233SC..Hα-helixtrans-66.3-43.3175.1-72.7-25.8000111.3F192 A198 R199 E200F192-N196 VanDerWaalsContact O-CB 3.25Å; F192-N196 WeakPolarHBondContact O-CB 3.3Å; F192-N196 PolarHBondContact O-N 2.98Å; F192-N196 PolarHBondContact O-ND2 2.95Å; N196-A198 VanDerWaalsContact C-N 3.34Å; N196-A198 PolarHBondContact O-N 3.31Å; N196-R199 WeakPolarHBondContact O-CB 3.37Å; N196-R199 PolarHBondContact O-N 3.42Å; N196-R199 VanDerWaalsContact O-N 3.13Å; N196-R199 PolarHBondContact OD1-NH1 3.34Å; N196-E200 WeakPolarHBondContact O-CG 3.32Å; N196-E200 PolarHBondContact O-N 2.85Å
197H98.4Very high97.8Very high35 Ų3545 Ų4516%0.16224%0.235CC..Hα-helixtrans-59.9-44.1174.7-173.452.9000111.6L153 D157 A193 R199 E200 I201L153-H197 PolarHBondContact O-CD2 2.89Å; D157-H197 IonicContact OD1-CE1 2.76Å; D157-H197 IonicContact OD1-NE2 3.43Å; D157-H197 PolarHBondContact OD1-NE2 3.18Å; D157-H197 IonicContact OD2-CD2 2.74Å; D157-H197 IonicContact OD2-CE1 3.73Å; D157-H197 IonicContact OD2-NE2 2.68Å; D157-H197 PolarHBondContact OD2-NE2 2.75Å; A193-H197 VanDerWaalsContact O-CB 3.22Å; A193-H197 WeakPolarHBondContact O-CB 3.41Å; A193-H197 PolarHBondContact O-N 2.69Å; H197-R199 VanDerWaalsContact C-N 3.27Å; H197-R199 PolarHBondContact O-N 2.61Å; H197-E200 PolarHBondContact O-N 3.27Å; H197-E200 VanDerWaalsContact O-N 3.13Å; H197-I201 WeakPolarHBondContact O-CG1 3.44Å; H197-I201 PolarHBondContact O-N 2.65Å
198A98.4Very high97.8Very high0 Ų040.5 Ų40.50%021%0.211CC..Hα-helixtrans-53.8-45.6173.900000112.1L156 L167 L194 L195 N196 I201 G202 F203L156-A198 HydrophobicContact CD1-CB 3.81Å; L167-A198 HydrophobicContact CD2-CB 3.62Å; L194-A198 PolarHBondContact O-N 2.61Å; L195-A198 WeakPolarHBondContact O-CB 3.34Å; L195-A198 PolarHBondContact O-N 2.76Å; N196-A198 VanDerWaalsContact C-N 3.34Å; N196-A198 PolarHBondContact O-N 3.31Å; A198-I201 WeakPolarHBondContact O-CG1 3.31Å; A198-G202 PolarHBondContact O-N 3.05Å; A198-F203 HydrophobicContact CB-CB 4.17Å; A198-F203 HydrophobicContact CB-CD2 4.16Å; A198-F203 HydrophobicContact CB-CG 4.37Å; A198-F203 WeakPolarHBondContact O-CB 3.47Å; A198-F203 PolarHBondContact O-N 2.93Å
199R97.6Very high97.9Very high93 Ų9340.8 Ų40.835%0.35121%0.213SC..Hα-helixtrans-64-43.7177.6-167.5-171.7-63124.9-2.3111.6L195 N196 H197 I201 G202 L232 N233L195-R199 PolarHBondContact O-N 3.11Å; L195-R199 VanDerWaalsContact O-N 3.12Å; N196-R199 WeakPolarHBondContact O-CB 3.37Å; N196-R199 PolarHBondContact O-N 3.42Å; N196-R199 VanDerWaalsContact O-N 3.13Å; N196-R199 PolarHBondContact OD1-NH1 3.34Å; H197-R199 VanDerWaalsContact C-N 3.27Å; H197-R199 PolarHBondContact O-N 2.61Å; R199-I201 VanDerWaalsContact C-N 3.34Å; R199-I201 PolarHBondContact O-N 3.08Å; R199-G202 PolarHBondContact O-N 3.33Å; R199-G202 VanDerWaalsContact O-N 3.14Å; R199-L232 PolarHBondContact NH2-O 3.37Å; R199-N233 PolarHBondContact NH2-O 2.86Å
200E98.2Very high97.9Very high156 Ų15633 Ų3373%0.72918%0.177SC*.Hα-helixtrans-62.2-38.7-179.6-74.3173.3-168.600112.7N196 H197 G202N196-E200 WeakPolarHBondContact O-CG 3.32Å; N196-E200 PolarHBondContact O-N 2.85Å; H197-E200 PolarHBondContact O-N 3.27Å; H197-E200 VanDerWaalsContact O-N 3.13Å; E200-G202 VanDerWaalsContact C-N 3.26Å; E200-G202 PolarHBondContact O-N 3.2Å
201I98.2Very high97.9Very high42 Ų4231.2 Ų31.222%0.21517%0.169CC..THydrogen-bonded Turntrans-87.18.2177.772.6-179.1000113.5L156 R160 H197 A198 R199 F203L156-I201 HydrophobicContact CB-CD1 3.75Å; R160-I201 HydrophobicContact CB-CD1 4.18Å; H197-I201 WeakPolarHBondContact O-CG1 3.44Å; H197-I201 PolarHBondContact O-N 2.65Å; A198-I201 WeakPolarHBondContact O-CG1 3.31Å; R199-I201 VanDerWaalsContact C-N 3.34Å; R199-I201 PolarHBondContact O-N 3.08Å; I201-F203 HydrophobicContact CD1-CD2 4.04Å; I201-F203 HydrophobicContact CD1-CE2 3.88Å; I201-F203 HydrophobicContact CG1-CD2 3.86Å; I201-F203 HydrophobicContact CG1-CE2 4.19Å
202G97.8Very high97.9Very high33 Ų3332.3 Ų32.334%0.3417%0.173SC..THydrogen-bonded Turntrans82.430.8169.600000115.4R160 A198 R199 E200R160-G202 PolarHBondContact NE-O 3.45Å; R160-G202 PolarHBondContact NH2-O 3.47Å; A198-G202 PolarHBondContact O-N 3.05Å; R199-G202 PolarHBondContact O-N 3.33Å; R199-G202 VanDerWaalsContact O-N 3.14Å; E200-G202 VanDerWaalsContact C-N 3.26Å; E200-G202 PolarHBondContact O-N 3.2Å
203F98.2Very high97.9Very high5 Ų530.7 Ų30.72%0.02217%0.167CC..  trans-68.8142.3155.9-80-91.2000109.7L159 R160 F164 N165 L167 A198 I201L159-F203 HydrophobicContact CB-CZ 4.18Å; R160-F203 HydrophobicContact CB-CE2 4.07Å; R160-F203 HydrophobicContact CG-CE2 4.4Å; F164-F203 HydrophobicContact CB-CE1 3.96Å; F164-F203 HydrophobicContact CB-CZ 4.05Å; N165-F203 VanDerWaalsContact C-CD1 3.49Å; L167-F203 HydrophobicContact CB-CD1 4.28Å; L167-F203 HydrophobicContact CB-CE1 4.32Å; L167-F203 HydrophobicContact CD2-CD1 3.99Å; L167-F203 HydrophobicContact CD2-CD2 4.35Å; L167-F203 HydrophobicContact CD2-CE1 4.27Å; L167-F203 HydrophobicContact CD2-CG 4.03Å; L167-F203 HydrophobicContact CG-CD1 4.35Å; A198-F203 HydrophobicContact CB-CB 4.17Å; A198-F203 HydrophobicContact CB-CD2 4.16Å; A198-F203 HydrophobicContact CB-CG 4.37Å; A198-F203 WeakPolarHBondContact O-CB 3.47Å; A198-F203 PolarHBondContact O-N 2.93Å; I201-F203 HydrophobicContact CD1-CD2 4.04Å; I201-F203 HydrophobicContact CD1-CE2 3.88Å; I201-F203 HydrophobicContact CG1-CD2 3.86Å; I201-F203 HydrophobicContact CG1-CE2 4.19Å
204T96.1Very high97.9Very high82 Ų8228.9 Ų28.950%0.50315%0.151SC..  trans-127.6166.7174.859.60000110.3N165 T206N165-T204 PolarHBondContact O-N 3.48Å; T204-T206 PolarHBondContact O-N 3.09Å
205S95.6Very high97.9Very high18 Ų1828.9 Ų28.913%0.12615%0.152CC..SBendtrans55.434.8-179.4-590000112.6N207 D235 R236S205-N207 PolarHBondContact O-N 3.25Å; S205-D235 PolarHBondContact N-OD2 3.31Å; S205-R236 PolarHBondContact OG-NH2 2.93Å
206T97.2Very high98Very high3 Ų333 Ų332%0.01817%0.169CC..  trans-64.6119.6-178.5-600000109.6L167 L195 T204 D235 R236L167-T206 HydrophobicContact CD1-CG2 3.61Å; L167-T206 HydrophobicContact CG-CG2 4Å; L167-T206 WeakPolarHBondContact O-CA 3.32Å; L195-T206 HydrophobicContact CD1-CG2 3.82Å; L195-T206 HydrophobicContact CG-CG2 4.04Å; T204-T206 PolarHBondContact O-N 3.09Å; T206-D235 PolarHBondContact N-OD2 3Å; T206-D235 PolarHBondContact O-N 3.13Å; T206-R236 PolarHBondContact O-N 2.88Å
207N98.2Very high98Very high16 Ų1630.6 Ų30.69%0.08616%0.157CC..EExtended strand (participates in β ladder)trans-98.8145.6178.5173.5-102.1000110.7L167 S168 M169 S205 D209 R236 S238L167-N207 PolarHBondContact O-N 3.39Å; S168-N207 CarbonylContact C-O 3.55Å; S168-N207 WeakPolarHBondContact CA-O 3.44Å; S168-N207 PolarHBondContact OG-OD1 2.83Å; M169-N207 PolarHBondContact N-O 3.16Å; S205-N207 PolarHBondContact O-N 3.25Å; N207-D209 PolarHBondContact OD1-OD1 3.16Å; N207-D209 VanDerWaalsContact OD1-OD1 3.1Å; N207-R236 WeakPolarHBondContact CA-O 3.47Å; N207-R236 HydrophobicContact CB-CB 3.98Å; N207-S238 PolarHBondContact ND2-N 3.22Å; N207-S238 PolarHBondContact ND2-OG 2.89Å; N207-S238 PolarHBondContact OD1-OG 3.25Å
208I98.2Very high98Very high0 Ų030.9 Ų30.90%016%0.161CC..EExtended strand (participates in β ladder)trans-119.7142162.367.3169.9000110.6M169 V171 L195 L210 V229 L232 P234 R236 L237 S238M169-I208 HydrophobicContact CB-CG2 4.39Å; M169-I208 CarbonylContact O-C 3.54Å; M169-I208 VanDerWaalsContact O-CA 3.28Å; M169-I208 WeakPolarHBondContact O-CA 3.24Å; V171-I208 HydrophobicContact CG2-CB 4.16Å; V171-I208 HydrophobicContact CG2-CG2 4.25Å; L195-I208 HydrophobicContact CD1-CG2 3.64Å; I208-L210 HydrophobicContact CD1-CD2 4.46Å; I208-L210 HydrophobicContact CD1-CG 4.45Å; I208-V229 HydrophobicContact CD1-CB 4.4Å; I208-V229 HydrophobicContact CD1-CG1 3.69Å; I208-V229 HydrophobicContact CD1-CG2 3.96Å; I208-L232 HydrophobicContact CD1-CD2 4.35Å; I208-L232 HydrophobicContact CG2-CD2 4.48Å; I208-P234 HydrophobicContact CD1-CB 4.35Å; I208-P234 HydrophobicContact CD1-CG 3.82Å; I208-P234 HydrophobicContact CG1-CB 4.08Å; I208-P234 HydrophobicContact CG1-CG 3.89Å; I208-P234 HydrophobicContact CG2-CB 4Å; I208-R236 PolarHBondContact N-O 3.35Å; I208-R236 VanDerWaalsContact N-O 3.09Å; I208-L237 HydrophobicContact CD1-CD2 4.37Å; I208-L237 HydrophobicContact CG1-CD2 4.38Å; I208-L237 HydrophobicContact CG1-CG 4.2Å; I208-L237 WeakPolarHBondContact O-CA 3.46Å; I208-S238 PolarHBondContact O-N 3.04Å
209D98.2Very high98Very high32 Ų3231.4 Ų31.417%0.17116%0.164CC..EExtended strand (participates in β ladder)trans-93.5136172.2-65.6-25.1000110.4M169 V171 Q172 N207 S238 F240M169-D209 PolarHBondContact O-N 2.96Å; V171-D209 PolarHBondContact N-O 3.11Å; V171-D209 VanDerWaalsContact N-O 3.15Å; Q172-D209 PolarHBondContact N-O 2.94Å; Q172-D209 PolarHBondContact OE1-O 3.39Å; N207-D209 PolarHBondContact OD1-OD1 3.16Å; N207-D209 VanDerWaalsContact OD1-OD1 3.1Å; D209-S238 CarbonylContact C-O 3.48Å; D209-S238 WeakPolarHBondContact CA-O 3.13Å; D209-S238 WeakPolarHBondContact OD1-CB 3.42Å; D209-S238 PolarHBondContact OD1-OG 2.85Å; D209-S238 VanDerWaalsContact OD1-OG 3.1Å; D209-F240 HydrophobicContact CB-CD2 4.46Å; D209-F240 HydrophobicContact CB-CE2 4Å
210L98.6Very high98Very high0 Ų033.4 Ų33.40%018%0.178CC..EExtended strand (participates in β ladder)trans-126.6152.9172.1-62.2175.1000108.9V171 I208 F222 T225 L226 V229 L237 S238 V239 F240V171-L210 HydrophobicContact CB-CD2 4.12Å; V171-L210 HydrophobicContact CG1-CD2 4.05Å; I208-L210 HydrophobicContact CD1-CD2 4.46Å; I208-L210 HydrophobicContact CD1-CG 4.45Å; L210-F222 HydrophobicContact CB-CZ 4.45Å; L210-T225 HydrophobicContact CD2-CG2 4.46Å; L210-L226 HydrophobicContact CD1-CD2 4.28Å; L210-V229 HydrophobicContact CD1-CG1 4.43Å; L210-V229 HydrophobicContact CD1-CG2 3.85Å; L210-V229 HydrophobicContact CD2-CG2 4.12Å; L210-L237 HydrophobicContact CD1-CD2 4.19Å; L210-S238 PolarHBondContact N-O 3.26Å; L210-V239 HydrophobicContact CB-CG1 4.24Å; L210-V239 HydrophobicContact CB-CG2 4.32Å; L210-V239 HydrophobicContact CD1-CG2 4.29Å; L210-F240 PolarHBondContact O-N 2.84Å
211I98.5Very high98.1Very high13 Ų1326.9 Ų26.97%0.06715%0.149CC..EExtended strand (participates in β ladder)trans-129.7125175.2-55.9179.2000109.1F68 Q172 L214 Q217 F222 F240 Y242F68-I211 HydrophobicContact CD2-CD1 3.47Å; F68-I211 VanDerWaalsContact CD2-CD1 3.47Å; F68-I211 HydrophobicContact CE2-CD1 3.5Å; F68-I211 VanDerWaalsContact CE2-CD1 3.5Å; F68-I211 HydrophobicContact CG-CD1 4.12Å; F68-I211 HydrophobicContact CZ-CD1 4.14Å; Q172-I211 HydrophobicContact CB-CD1 4.38Å; Q172-I211 HydrophobicContact CB-CG1 4.3Å; Q172-I211 HydrophobicContact CG-CD1 4.47Å; Q172-I211 PolarHBondContact O-N 2.95Å; I211-L214 HydrophobicContact CB-CD1 4.03Å; I211-L214 HydrophobicContact CB-CD2 4.44Å; I211-L214 HydrophobicContact CB-CG 4.08Å; I211-L214 HydrophobicContact CG2-CD1 4.3Å; I211-L214 HydrophobicContact CG2-CD2 3.85Å; I211-L214 HydrophobicContact CG2-CG 3.79Å; I211-Q217 PolarHBondContact O-NE2 3.21Å; I211-F222 WeakPolarHBondContact O-CE2 3.47Å; I211-F240 WeakPolarHBondContact CA-O 3.47Å; I211-F240 HydrophobicContact CG1-CB 4.44Å; I211-Y242 HydrophobicContact CG2-CG 4.49Å
212Y98.3Very high98.1Very high22 Ų2225 Ų259%0.08614%0.139CC..EExtended strand (participates in β ladder)trans-101.4150167.379.4-81.5000111.3Q217 V239 F240 N241 Y242 K266 I269 L270Y212-Q217 VanDerWaalsContact CA-OE1 3.27Å; Y212-V239 HydrophobicContact CD1-CG1 4.08Å; Y212-F240 WeakPolarHBondContact CD1-O 3.28Å; Y212-F240 PolarHBondContact N-O 3.42Å; Y212-N241 HydrophobicContact CE1-CB 3.67Å; Y212-N241 HydrophobicContact CE2-CB 4.42Å; Y212-N241 WeakPolarHBondContact OH-CB 3.36Å; Y212-Y242 WeakPolarHBondContact O-CB 3.45Å; Y212-Y242 PolarHBondContact O-N 2.95Å; Y212-K266 HydrophobicContact CD2-CB 4.38Å; Y212-K266 HydrophobicContact CE2-CB 4.19Å; Y212-I269 HydrophobicContact CD2-CG2 4.2Å; Y212-I269 HydrophobicContact CG-CG2 4.18Å; Y212-L270 HydrophobicContact CE1-CD1 4.27Å; Y212-L270 HydrophobicContact CE2-CB 4.32Å
213G98Very high98.1Very high1 Ų125 Ų251%0.0113%0.133CC..SBendtrans94.98.9-173.300000115.1Y242G213-Y242 VanDerWaalsContact O-CD1 3.24Å; G213-Y242 WeakPolarHBondContact O-CD1 3.4Å
214L98.7Very high98Very high1 Ų129.9 Ų29.91%0.00515%0.154CC..  trans-73159.8174.3-67.5-175.7000111.7F68 V178 V182 I211 K216 Q217 Y242 P261F68-L214 HydrophobicContact CB-CD2 3.66Å; F68-L214 HydrophobicContact CD1-CD2 4.31Å; F68-L214 HydrophobicContact CG-CD2 4.13Å; V178-L214 HydrophobicContact CG1-CB 3.69Å; V178-L214 HydrophobicContact CG1-CD1 3.84Å; V178-L214 HydrophobicContact CG1-CG 4.44Å; V182-L214 HydrophobicContact CG1-CD2 4.33Å; I211-L214 HydrophobicContact CB-CD1 4.03Å; I211-L214 HydrophobicContact CB-CD2 4.44Å; I211-L214 HydrophobicContact CB-CG 4.08Å; I211-L214 HydrophobicContact CG2-CD1 4.3Å; I211-L214 HydrophobicContact CG2-CD2 3.85Å; I211-L214 HydrophobicContact CG2-CG 3.79Å; L214-K216 PolarHBondContact O-N 3.01Å; L214-Q217 HydrophobicContact CB-CG 4.16Å; L214-Q217 WeakPolarHBondContact O-CB 3.35Å; L214-Q217 PolarHBondContact O-N 3.35Å; L214-Y242 HydrophobicContact CD2-CD1 4.37Å; L214-Y242 HydrophobicContact CD2-CD2 3.96Å; L214-Y242 HydrophobicContact CD2-CE2 4.42Å; L214-Y242 HydrophobicContact CD2-CG 3.96Å; L214-P261 VanDerWaalsContact O-CD 3.29Å; L214-P261 WeakPolarHBondContact O-CD 3.21Å
215P98.7Very high98.1Very high1 Ų126 Ų261%0.00613%0.13CC..THydrogen-bonded Turntrans-58138.3-178.724.4-36.9000112.4V178 L181 V182 Q217 I255 D259V178-P215 WeakPolarHBondContact CG2-O 3.46Å; L181-P215 HydrophobicContact CB-CB 4.34Å; L181-P215 HydrophobicContact CB-CG 3.83Å; L181-P215 HydrophobicContact CD1-CB 4.15Å; L181-P215 HydrophobicContact CD1-CG 4.47Å; V182-P215 HydrophobicContact CG1-CG 3.67Å; P215-Q217 PolarHBondContact O-N 2.88Å; P215-I255 HydrophobicContact CB-CG2 4.05Å; P215-I255 HydrophobicContact CG-CG1 4.42Å; P215-I255 HydrophobicContact CG-CG2 3.89Å; P215-D259 CarbonylContact C-O 3.53Å; P215-D259 WeakPolarHBondContact CA-O 3.32Å; P215-D259 HydrophobicContact CB-CB 3.76Å
216K98.5Very high98.2Very high88 Ų8825.2 Ų25.238%0.38313%0.125SC..THydrogen-bonded Turntrans65.57.3-177.5-58.5-59.1-161.3-163.10116.3E177 L181 L214 D259E177-K216 HydrophobicContact CG-CG 4.43Å; L181-K216 HydrophobicContact CD1-CB 4.02Å; L181-K216 HydrophobicContact CD1-CG 3.29Å; L214-K216 PolarHBondContact O-N 3.01Å; K216-D259 HydrophobicContact CD-CB 4.26Å; K216-D259 WeakPolarHBondContact CE-OD1 3.21Å; K216-D259 HydrophobicContact CG-CB 4.47Å; K216-D259 PolarHBondContact N-O 3.09Å; K216-D259 IonicContact NZ-OD1 2.66Å; K216-D259 PolarHBondContact NZ-OD1 3.2Å
217Q98.8Very high98.2Very high2 Ų230.5 Ų30.51%0.00915%0.147CC..  trans-69.2142.4168.8-73.5-179.2-24.100111.4D173 V178 I211 Y212 L214 P215 I269D173-Q217 PolarHBondContact OD2-NE2 3.27Å; V178-Q217 HydrophobicContact CG1-CG 4.34Å; V178-Q217 HydrophobicContact CG2-CG 3.84Å; I211-Q217 PolarHBondContact O-NE2 3.21Å; Y212-Q217 VanDerWaalsContact CA-OE1 3.27Å; L214-Q217 HydrophobicContact CB-CG 4.16Å; L214-Q217 WeakPolarHBondContact O-CB 3.35Å; L214-Q217 PolarHBondContact O-N 3.35Å; P215-Q217 PolarHBondContact O-N 2.88Å; Q217-I269 HydrophobicContact CB-CD1 4.38Å
218T98.7Very high98.2Very high40 Ų4033.2 Ų33.225%0.24516%0.157CC..  trans-136.2165.8172.276.10000108.2E220 S221 F222T218-E220 VanDerWaalsContact CB-OE2 3.24Å; T218-E220 WeakPolarHBondContact CB-OE2 3.37Å; T218-E220 PolarHBondContact O-N 3.33Å; T218-E220 PolarHBondContact OG1-N 3.21Å; T218-E220 PolarHBondContact OG1-OE2 3.04Å; T218-S221 PolarHBondContact N-OG 2.8Å; T218-S221 PolarHBondContact O-N 3.24Å; T218-S221 PolarHBondContact O-OG 2.95Å; T218-S221 PolarHBondContact OG1-N 2.84Å; T218-F222 WeakPolarHBondContact O-CB 3.16Å; T218-F222 PolarHBondContact O-N 3.21Å
219P98.2Very high98.2Very high11 Ų1133.2 Ų33.27%0.07116%0.157CC..Hα-helixtrans-51.6-44.5173.1-27.236.9000112.5F222 T223 D268 I269P219-F222 PolarHBondContact O-N 3.29Å; P219-T223 VanDerWaalsContact O-CB 3.31Å; P219-T223 WeakPolarHBondContact O-CB 3.1Å; P219-T223 PolarHBondContact O-N 3.49Å; P219-T223 PolarHBondContact O-OG1 2.88Å; P219-D268 HydrophobicContact CB-CB 4.37Å; P219-D268 HydrophobicContact CG-CB 3.77Å; P219-I269 HydrophobicContact CB-CG1 4.41Å; P219-I269 HydrophobicContact CG-CG1 4.24Å
220E98.2Very high98.1Very high136 Ų13633.3 Ų33.364%0.63616%0.162SC*.Hα-helixtrans-66.1-43.8-179.9-53.576.2-166.200112.3T218 F224T218-E220 VanDerWaalsContact CB-OE2 3.24Å; T218-E220 WeakPolarHBondContact CB-OE2 3.37Å; T218-E220 PolarHBondContact O-N 3.33Å; T218-E220 PolarHBondContact OG1-N 3.21Å; T218-E220 PolarHBondContact OG1-OE2 3.04Å; E220-F224 PolarHBondContact O-N 3.36Å; E220-F224 VanDerWaalsContact O-N 3.12Å
221S98.3Very high98Very high19 Ų1938.6 Ų38.613%0.13319%0.186CC..Hα-helixtrans-72-34-177.975.50000112.1T218 F224 T225T218-S221 PolarHBondContact N-OG 2.8Å; T218-S221 PolarHBondContact O-N 3.24Å; T218-S221 PolarHBondContact O-OG 2.95Å; T218-S221 PolarHBondContact OG1-N 2.84Å; S221-F224 WeakPolarHBondContact O-CB 3.4Å; S221-F224 PolarHBondContact O-N 2.82Å; S221-T225 PolarHBondContact O-N 3.32Å
222F98.5Very high98Very high2 Ų238 Ų381%0.00918%0.183CC..Hα-helixtrans-74.6-36.9175.7-155.5-99.4000111.9L210 I211 T218 P219 F224 T225 L226 V239 I269 T273L210-F222 HydrophobicContact CB-CZ 4.45Å; I211-F222 WeakPolarHBondContact O-CE2 3.47Å; T218-F222 WeakPolarHBondContact O-CB 3.16Å; T218-F222 PolarHBondContact O-N 3.21Å; P219-F222 PolarHBondContact O-N 3.29Å; F222-F224 VanDerWaalsContact C-N 3.26Å; F222-F224 PolarHBondContact O-N 2.95Å; F222-T225 WeakPolarHBondContact O-CA 3.43Å; F222-T225 WeakPolarHBondContact O-CB 3.34Å; F222-T225 PolarHBondContact O-N 2.75Å; F222-L226 HydrophobicContact CD1-CD1 4.09Å; F222-L226 HydrophobicContact CD1-CD2 4.44Å; F222-L226 HydrophobicContact CD1-CG 4.05Å; F222-L226 HydrophobicContact CE1-CD1 4.36Å; F222-L226 HydrophobicContact CE1-CD2 4.02Å; F222-L226 HydrophobicContact CE1-CG 4.14Å; F222-L226 WeakPolarHBondContact O-CG 3.39Å; F222-L226 PolarHBondContact O-N 3.04Å; F222-V239 HydrophobicContact CE1-CG1 4.32Å; F222-V239 HydrophobicContact CZ-CG1 4.13Å; F222-I269 HydrophobicContact CB-CG1 4.18Å; F222-I269 HydrophobicContact CB-CG2 3.92Å; F222-I269 HydrophobicContact CD1-CG2 3.41Å; F222-I269 VanDerWaalsContact CD1-CG2 3.41Å; F222-I269 HydrophobicContact CD2-CG2 4.37Å; F222-I269 HydrophobicContact CE1-CG2 3.96Å; F222-I269 HydrophobicContact CG-CG2 3.63Å; F222-T273 WeakPolarHBondContact CE1-OG1 3.47Å
223T97.6Very high97.9Very high32 Ų3240 Ų4020%0.19620%0.195CC..Hα-helixtrans-58.5-37.4170.7-77.50000111.9P219 L226 K227 E272P219-T223 VanDerWaalsContact O-CB 3.31Å; P219-T223 WeakPolarHBondContact O-CB 3.1Å; P219-T223 PolarHBondContact O-N 3.49Å; P219-T223 PolarHBondContact O-OG1 2.88Å; T223-L226 PolarHBondContact O-N 3.02Å; T223-K227 WeakPolarHBondContact O-CG 3.44Å; T223-K227 PolarHBondContact O-N 3.25Å; T223-K227 VanDerWaalsContact O-N 3.11Å; T223-E272 PolarHBondContact OG1-OE2 2.85Å
224F96.2Very high97.9Very high109 Ų10940 Ų4048%0.47820%0.195SC..Hα-helixtrans-60.7-46.6171174.1-92.1000112E220 S221 F222 L226 K227 R228E220-F224 PolarHBondContact O-N 3.36Å; E220-F224 VanDerWaalsContact O-N 3.12Å; S221-F224 WeakPolarHBondContact O-CB 3.4Å; S221-F224 PolarHBondContact O-N 2.82Å; F222-F224 VanDerWaalsContact C-N 3.26Å; F222-F224 PolarHBondContact O-N 2.95Å; F224-L226 VanDerWaalsContact C-N 3.31Å; F224-L226 PolarHBondContact O-N 2.84Å; F224-K227 WeakPolarHBondContact O-CB 3.45Å; F224-K227 PolarHBondContact O-N 2.85Å; F224-R228 HydrophobicContact CE1-CG 4.11Å; F224-R228 HydrophobicContact CZ-CG 4.16Å; F224-R228 PolarHBondContact O-N 3.31Å
225T98.2Very high97.9Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-58.4-42.6175.7-72.30000111.7D173 F174 L210 S221 F222 K227 R228 V229D173-T225 PolarHBondContact OD1-OG1 2.74Å; F174-T225 HydrophobicContact CB-CG2 4.4Å; F174-T225 HydrophobicContact CD2-CG2 4.12Å; L210-T225 HydrophobicContact CD2-CG2 4.46Å; S221-T225 PolarHBondContact O-N 3.32Å; F222-T225 WeakPolarHBondContact O-CA 3.43Å; F222-T225 WeakPolarHBondContact O-CB 3.34Å; F222-T225 PolarHBondContact O-N 2.75Å; T225-K227 VanDerWaalsContact C-N 3.33Å; T225-K227 PolarHBondContact O-N 3.07Å; T225-R228 PolarHBondContact O-N 3.25Å; T225-V229 HydrophobicContact CG2-CG2 4.43Å; T225-V229 VanDerWaalsContact O-CG2 3.31Å; T225-V229 WeakPolarHBondContact O-CG2 3.39Å; T225-V229 PolarHBondContact O-N 3.29Å
226L98.2Very high97.8Very high1 Ų142.6 Ų42.61%0.00521%0.207CC..Hα-helixtrans-63.6-35.1177.7-66.9175.8000113.3L210 F222 T223 F224 V229 A230 T273 F276 L277L210-L226 HydrophobicContact CD1-CD2 4.28Å; F222-L226 HydrophobicContact CD1-CD1 4.09Å; F222-L226 HydrophobicContact CD1-CD2 4.44Å; F222-L226 HydrophobicContact CD1-CG 4.05Å; F222-L226 HydrophobicContact CE1-CD1 4.36Å; F222-L226 HydrophobicContact CE1-CD2 4.02Å; F222-L226 HydrophobicContact CE1-CG 4.14Å; F222-L226 WeakPolarHBondContact O-CG 3.39Å; F222-L226 PolarHBondContact O-N 3.04Å; T223-L226 PolarHBondContact O-N 3.02Å; F224-L226 VanDerWaalsContact C-N 3.31Å; F224-L226 PolarHBondContact O-N 2.84Å; L226-V229 WeakPolarHBondContact O-CB 3.46Å; L226-V229 PolarHBondContact O-N 3.19Å; L226-A230 PolarHBondContact O-N 3.47Å; L226-T273 HydrophobicContact CD1-CG2 4.25Å; L226-T273 HydrophobicContact CD2-CG2 4.2Å; L226-F276 HydrophobicContact CB-CD1 3.67Å; L226-F276 HydrophobicContact CB-CE1 3.75Å; L226-F276 HydrophobicContact CB-CG 4.31Å; L226-F276 HydrophobicContact CB-CZ 4.46Å; L226-F276 HydrophobicContact CD1-CB 4.25Å; L226-F276 HydrophobicContact CD1-CD1 4.23Å; L226-F276 HydrophobicContact CD1-CG 4.37Å; L226-F276 HydrophobicContact CG-CD1 4.48Å; L226-F276 WeakPolarHBondContact O-CE1 3.5Å; L226-L277 HydrophobicContact CD2-CD2 4.29Å; L226-L277 HydrophobicContact CD2-CG 4.49Å
227K98Very high97.8Very high114 Ų11438.4 Ų38.450%0.49619%0.189SC..Hα-helixtrans-61.3-44.8173.5-72.9173.4179.1177.90111.7T223 F224 T225 V229 A230 E231 F276T223-K227 WeakPolarHBondContact O-CG 3.44Å; T223-K227 PolarHBondContact O-N 3.25Å; T223-K227 VanDerWaalsContact O-N 3.11Å; F224-K227 WeakPolarHBondContact O-CB 3.45Å; F224-K227 PolarHBondContact O-N 2.85Å; T225-K227 VanDerWaalsContact C-N 3.33Å; T225-K227 PolarHBondContact O-N 3.07Å; K227-V229 VanDerWaalsContact C-N 3.32Å; K227-V229 PolarHBondContact O-N 2.96Å; K227-A230 PolarHBondContact O-N 3.26Å; K227-E231 WeakPolarHBondContact O-CG 3.35Å; K227-E231 PolarHBondContact O-N 3.21Å; K227-E231 VanDerWaalsContact O-N 3.12Å; K227-F276 HydrophobicContact CG-CE2 4.08Å; K227-F276 HydrophobicContact CG-CZ 3.96Å
228R97.9Very high97.8Very high74 Ų7438.5 Ų38.528%0.27919%0.19SC..Hα-helixtrans-65-36.3175.3-58.8-57.5-68174.5-5.6112F174 E188 F192 F224 T225 E231 L232F174-R228 HydrophobicContact CD2-CB 3.65Å; F174-R228 HydrophobicContact CE2-CB 4.02Å; F174-R228 HydrophobicContact CG-CB 4.28Å; E188-R228 IonicContact OE1-CZ 2.8Å; E188-R228 IonicContact OE1-NE 3.99Å; E188-R228 PolarHBondContact OE1-NE 3.47Å; E188-R228 IonicContact OE1-NH2 3.82Å; E188-R228 PolarHBondContact OE1-NH2 3.12Å; F192-R228 WeakPolarHBondContact CZ-O 3.29Å; F224-R228 HydrophobicContact CE1-CG 4.11Å; F224-R228 HydrophobicContact CZ-CG 4.16Å; F224-R228 PolarHBondContact O-N 3.31Å; T225-R228 PolarHBondContact O-N 3.25Å; R228-E231 VanDerWaalsContact CD-OE2 3.31Å; R228-E231 WeakPolarHBondContact CD-OE2 3.48Å; R228-E231 IonicContact CZ-OE2 3.5Å; R228-E231 IonicContact NE-OE2 3.94Å; R228-E231 PolarHBondContact NE-OE2 3.11Å; R228-E231 IonicContact NH1-OE1 2.76Å; R228-E231 IonicContact NH1-OE2 2.7Å; R228-E231 PolarHBondContact NH1-OE2 2.75Å; R228-E231 WeakPolarHBondContact O-CB 3.34Å; R228-E231 PolarHBondContact O-N 3Å; R228-L232 PolarHBondContact O-N 3.4Å
229V97.6Very high97.7Very high0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-64-41.2173.8167.80000112.1F174 I208 L210 T225 L226 K227 E231 L232 N233 P234 L237F174-V229 HydrophobicContact CD2-CG2 4.1Å; F174-V229 HydrophobicContact CE2-CG2 3.7Å; I208-V229 HydrophobicContact CD1-CB 4.4Å; I208-V229 HydrophobicContact CD1-CG1 3.69Å; I208-V229 HydrophobicContact CD1-CG2 3.96Å; L210-V229 HydrophobicContact CD1-CG1 4.43Å; L210-V229 HydrophobicContact CD1-CG2 3.85Å; L210-V229 HydrophobicContact CD2-CG2 4.12Å; T225-V229 HydrophobicContact CG2-CG2 4.43Å; T225-V229 VanDerWaalsContact O-CG2 3.31Å; T225-V229 WeakPolarHBondContact O-CG2 3.39Å; T225-V229 PolarHBondContact O-N 3.29Å; L226-V229 WeakPolarHBondContact O-CB 3.46Å; L226-V229 PolarHBondContact O-N 3.19Å; K227-V229 VanDerWaalsContact C-N 3.32Å; K227-V229 PolarHBondContact O-N 2.96Å; V229-E231 VanDerWaalsContact C-N 3.3Å; V229-E231 PolarHBondContact O-N 3.4Å; V229-L232 WeakPolarHBondContact O-CB 3.27Å; V229-L232 PolarHBondContact O-N 2.88Å; V229-N233 PolarHBondContact O-N 3.1Å; V229-P234 HydrophobicContact CG1-CG 4.3Å; V229-P234 WeakPolarHBondContact O-CD 3.4Å; V229-L237 HydrophobicContact CG1-CD2 3.41Å; V229-L237 VanDerWaalsContact CG1-CD2 3.41Å
230A96.6Very high97.6Very high34 Ų3439 Ų3928%0.28119%0.188SC..Hα-helixtrans-63.8-37.1175.400000112L226 K227 N233 F276L226-A230 PolarHBondContact O-N 3.47Å; K227-A230 PolarHBondContact O-N 3.26Å; A230-N233 PolarHBondContact O-N 3.43Å; A230-F276 HydrophobicContact CB-CE1 4Å; A230-F276 HydrophobicContact CB-CZ 4.19Å
231E97.5Very high97.4Very high110 Ų11035.6 Ų35.651%0.51417%0.174SC..Hα-helixtrans-66.3-37.2173-66.5165.5178.400112.3F192 K227 R228 V229 N233F192-E231 HydrophobicContact CE1-CB 4.09Å; F192-E231 HydrophobicContact CZ-CB 4.12Å; K227-E231 WeakPolarHBondContact O-CG 3.35Å; K227-E231 PolarHBondContact O-N 3.21Å; K227-E231 VanDerWaalsContact O-N 3.12Å; R228-E231 VanDerWaalsContact CD-OE2 3.31Å; R228-E231 WeakPolarHBondContact CD-OE2 3.48Å; R228-E231 IonicContact CZ-OE2 3.5Å; R228-E231 IonicContact NE-OE2 3.94Å; R228-E231 PolarHBondContact NE-OE2 3.11Å; R228-E231 IonicContact NH1-OE1 2.76Å; R228-E231 IonicContact NH1-OE2 2.7Å; R228-E231 PolarHBondContact NH1-OE2 2.75Å; R228-E231 WeakPolarHBondContact O-CB 3.34Å; R228-E231 PolarHBondContact O-N 3Å; V229-E231 VanDerWaalsContact C-N 3.3Å; V229-E231 PolarHBondContact O-N 3.4Å; E231-N233 VanDerWaalsContact C-N 3.3Å
232L97Very high97.3Very high0 Ų035.3 Ų35.30%017%0.17CC..Hα-helixtrans-66.9-32.3174.9-176.362.8000112.4F174 I191 F192 L195 R199 I208 R228 V229F174-L232 HydrophobicContact CZ-CD2 4.09Å; I191-L232 HydrophobicContact CG2-CD2 4.02Å; F192-L232 HydrophobicContact CB-CD1 4.29Å; F192-L232 HydrophobicContact CD1-CD1 3.84Å; F192-L232 HydrophobicContact CD2-CD1 4.04Å; F192-L232 HydrophobicContact CE1-CB 4Å; F192-L232 HydrophobicContact CE1-CD1 4.17Å; F192-L232 HydrophobicContact CE2-CB 4.34Å; F192-L232 HydrophobicContact CE2-CD1 4.36Å; F192-L232 HydrophobicContact CG-CD1 3.79Å; F192-L232 HydrophobicContact CZ-CB 3.91Å; F192-L232 HydrophobicContact CZ-CD1 4.42Å; L195-L232 HydrophobicContact CB-CD1 3.87Å; L195-L232 HydrophobicContact CD1-CD1 4.32Å; L195-L232 HydrophobicContact CD1-CD2 4.01Å; L195-L232 HydrophobicContact CD1-CG 4.03Å; L195-L232 HydrophobicContact CD2-CD1 4.11Å; L195-L232 HydrophobicContact CD2-CG 4.18Å; L195-L232 HydrophobicContact CG-CD1 4.31Å; L195-L232 HydrophobicContact CG-CG 4.47Å; R199-L232 PolarHBondContact NH2-O 3.37Å; I208-L232 HydrophobicContact CD1-CD2 4.35Å; I208-L232 HydrophobicContact CG2-CD2 4.48Å; R228-L232 PolarHBondContact O-N 3.4Å; V229-L232 WeakPolarHBondContact O-CB 3.27Å; V229-L232 PolarHBondContact O-N 2.88Å
233N97.1Very high97.1Very high65 Ų6537.5 Ų37.535%0.34819%0.188SC..  trans56.257.4173.5-172.245.7000114.1R199 V229 A230 E231 R292R199-N233 PolarHBondContact NH2-O 2.86Å; V229-N233 PolarHBondContact O-N 3.1Å; A230-N233 PolarHBondContact O-N 3.43Å; E231-N233 VanDerWaalsContact C-N 3.3Å; N233-R292 VanDerWaalsContact CG-NH2 3.32Å; N233-R292 PolarHBondContact ND2-NH2 2.97Å; N233-R292 PolarHBondContact OD1-NH2 2.77Å
234P97.9Very high96.9Very high1 Ų138.2 Ų38.21%0.00619%0.189CC..  trans-65.9164.2173.133.4-39000111.5L195 I208 V229 L237 Y282L195-P234 HydrophobicContact CD1-CB 4.32Å; I208-P234 HydrophobicContact CD1-CB 4.35Å; I208-P234 HydrophobicContact CD1-CG 3.82Å; I208-P234 HydrophobicContact CG1-CB 4.08Å; I208-P234 HydrophobicContact CG1-CG 3.89Å; I208-P234 HydrophobicContact CG2-CB 4Å; V229-P234 HydrophobicContact CG1-CG 4.3Å; V229-P234 WeakPolarHBondContact O-CD 3.4Å; P234-L237 HydrophobicContact CG-CD1 4.13Å; P234-L237 HydrophobicContact CG-CD2 4.33Å; P234-L237 HydrophobicContact CG-CG 3.96Å; P234-Y282 WeakPolarHBondContact CD-OH 3.47Å; P234-Y282 VanDerWaalsContact O-CE1 3.31Å; P234-Y282 WeakPolarHBondContact O-CE1 3.5Å; P234-Y282 PolarHBondContact O-OH 3.38Å
235D97.6Very high96.8Very high33 Ų3336.8 Ų36.818%0.17619%0.187CC..SBendtrans-81.2-35.5176.2-57.8-45000111.5S205 T206 R292S205-D235 PolarHBondContact N-OD2 3.31Å; T206-D235 PolarHBondContact N-OD2 3Å; T206-D235 PolarHBondContact O-N 3.13Å; D235-R292 IonicContact OD1-NE 3.51Å
236R98.2Very high96.7Very high24 Ų2438.3 Ų38.39%0.09120%0.196CC..EExtended strand (participates in β ladder)trans-134.1155.1-178.6-63.8175.6178.1168.7-1.2111S205 T206 N207 I208 F290 A291 D295 E296S205-R236 PolarHBondContact OG-NH2 2.93Å; T206-R236 PolarHBondContact O-N 2.88Å; N207-R236 WeakPolarHBondContact CA-O 3.47Å; N207-R236 HydrophobicContact CB-CB 3.98Å; I208-R236 PolarHBondContact N-O 3.35Å; I208-R236 VanDerWaalsContact N-O 3.09Å; R236-F290 CarbonylContact C-O 3.43Å; R236-F290 VanDerWaalsContact CA-O 3.32Å; R236-F290 WeakPolarHBondContact CA-O 3.31Å; R236-A291 HydrophobicContact CG-CB 3.96Å; R236-D295 IonicContact CZ-OD1 3.87Å; R236-D295 IonicContact CZ-OD2 3.75Å; R236-D295 IonicContact NE-OD1 3.65Å; R236-D295 PolarHBondContact NE-OD1 3.16Å; R236-D295 IonicContact NE-OD2 3.85Å; R236-D295 PolarHBondContact NE-OD2 3.13Å; R236-D295 IonicContact NH2-OD1 3.53Å; R236-D295 PolarHBondContact NH2-OD1 3.26Å; R236-D295 IonicContact NH2-OD2 2.83Å; R236-D295 PolarHBondContact NH2-OD2 2.95Å; R236-E296 IonicContact CZ-OE1 3.57Å; R236-E296 IonicContact NH1-OE1 3.37Å; R236-E296 IonicContact NH2-OE1 2.71Å; R236-E296 PolarHBondContact NH2-OE1 3.27Å
237L98.3Very high96.6Very high0 Ų043.5 Ų43.50%023%0.228CC..EExtended strand (participates in β ladder)trans-134139.6172.6-54.689.8000111I208 L210 V229 P234 V239 L277 Y282 H289 F290I208-L237 HydrophobicContact CD1-CD2 4.37Å; I208-L237 HydrophobicContact CG1-CD2 4.38Å; I208-L237 HydrophobicContact CG1-CG 4.2Å; I208-L237 WeakPolarHBondContact O-CA 3.46Å; L210-L237 HydrophobicContact CD1-CD2 4.19Å; V229-L237 HydrophobicContact CG1-CD2 3.41Å; V229-L237 VanDerWaalsContact CG1-CD2 3.41Å; P234-L237 HydrophobicContact CG-CD1 4.13Å; P234-L237 HydrophobicContact CG-CD2 4.33Å; P234-L237 HydrophobicContact CG-CG 3.96Å; L237-V239 HydrophobicContact CB-CG2 4.37Å; L237-L277 HydrophobicContact CD1-CD2 4.48Å; L237-L277 HydrophobicContact CD2-CD1 4.08Å; L237-L277 HydrophobicContact CD2-CD2 3.77Å; L237-Y282 HydrophobicContact CD1-CD1 3.57Å; L237-Y282 HydrophobicContact CD1-CD2 4.05Å; L237-Y282 HydrophobicContact CD1-CE1 3.45Å; L237-Y282 VanDerWaalsContact CD1-CE1 3.45Å; L237-Y282 HydrophobicContact CD1-CE2 3.95Å; L237-Y282 HydrophobicContact CD1-CG 3.87Å; L237-H289 WeakPolarHBondContact O-CA 3.45Å; L237-F290 HydrophobicContact CB-CB 4.26Å; L237-F290 HydrophobicContact CD1-CB 4.23Å; L237-F290 PolarHBondContact N-O 2.99Å; L237-F290 PolarHBondContact O-N 2.86Å
238S97.5Very high96.3Very high3 Ų343.6 Ų43.62%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-111.6111.3166.6-47.80000108.5N207 I208 D209 L210 F240 D288 H289N207-S238 PolarHBondContact ND2-N 3.22Å; N207-S238 PolarHBondContact ND2-OG 2.89Å; N207-S238 PolarHBondContact OD1-OG 3.25Å; I208-S238 PolarHBondContact O-N 3.04Å; D209-S238 CarbonylContact C-O 3.48Å; D209-S238 WeakPolarHBondContact CA-O 3.13Å; D209-S238 WeakPolarHBondContact OD1-CB 3.42Å; D209-S238 PolarHBondContact OD1-OG 2.85Å; D209-S238 VanDerWaalsContact OD1-OG 3.1Å; L210-S238 PolarHBondContact N-O 3.26Å; S238-F240 VanDerWaalsContact CB-CE2 3.48Å; S238-F240 VanDerWaalsContact CB-CZ 3.49Å; S238-D288 CarbonylContact C-O 3.53Å; S238-D288 VanDerWaalsContact CA-O 3.28Å; S238-D288 WeakPolarHBondContact CA-O 3.44Å; S238-H289 PolarHBondContact OG-CE1 2.87Å
239V97.5Very high96.2Very high4 Ų443.1 Ų43.12%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-109.291.2-179.4-167.50000110.3L210 Y212 F222 L237 T273 L277 D288 F290L210-V239 HydrophobicContact CB-CG1 4.24Å; L210-V239 HydrophobicContact CB-CG2 4.32Å; L210-V239 HydrophobicContact CD1-CG2 4.29Å; Y212-V239 HydrophobicContact CD1-CG1 4.08Å; F222-V239 HydrophobicContact CE1-CG1 4.32Å; F222-V239 HydrophobicContact CZ-CG1 4.13Å; L237-V239 HydrophobicContact CB-CG2 4.37Å; V239-T273 HydrophobicContact CG1-CG2 4.2Å; V239-T273 HydrophobicContact CG2-CG2 4.24Å; V239-L277 HydrophobicContact CG2-CD1 4.17Å; V239-D288 PolarHBondContact N-O 3.37Å; V239-F290 HydrophobicContact CB-CE2 4.22Å; V239-F290 HydrophobicContact CG2-CD2 4.04Å; V239-F290 HydrophobicContact CG2-CE2 3.89Å
240F95.5Very high96.1Very high58 Ų5846 Ų4625%0.25426%0.257SS..EExtended strand (participates in β ladder)trans-82.4140.1-173.2-58.9-70.5000112.9D209 L210 I211 Y212 S238 Y242 D288D209-F240 HydrophobicContact CB-CD2 4.46Å; D209-F240 HydrophobicContact CB-CE2 4Å; L210-F240 PolarHBondContact O-N 2.84Å; I211-F240 WeakPolarHBondContact CA-O 3.47Å; I211-F240 HydrophobicContact CG1-CB 4.44Å; Y212-F240 WeakPolarHBondContact CD1-O 3.28Å; Y212-F240 PolarHBondContact N-O 3.42Å; S238-F240 VanDerWaalsContact CB-CE2 3.48Å; S238-F240 VanDerWaalsContact CB-CZ 3.49Å; F240-Y242 PolarHBondContact O-N 2.64Å; F240-D288 HydrophobicContact CD1-CB 4Å; F240-D288 HydrophobicContact CE1-CB 4.31Å
241N94.4Very high96.1Very high64 Ų6445 Ų4534%0.34225%0.249SC..EExtended strand (participates in β ladder)trans-71.3124.5163.4-176.415.2000110.3Y212 A243 K266Y212-N241 HydrophobicContact CE1-CB 3.67Å; Y212-N241 HydrophobicContact CE2-CB 4.42Å; Y212-N241 WeakPolarHBondContact OH-CB 3.36Å; N241-A243 PolarHBondContact O-N 2.74Å; N241-K266 WeakPolarHBondContact OD1-CE 3.4Å; N241-K266 PolarHBondContact OD1-NZ 2.89Å
242Y96.8Very high96.2Very high14 Ų1439.9 Ų39.96%0.05523%0.225CC..PPolyproline II helixtrans-60.7119.1175.6179.3-131.5000111.6F68 I211 Y212 G213 L214 F240 H244 Q252 I255 L260 K266F68-Y242 HydrophobicContact CB-CD2 4.12Å; F68-Y242 HydrophobicContact CB-CE2 3.62Å; I211-Y242 HydrophobicContact CG2-CG 4.49Å; Y212-Y242 WeakPolarHBondContact O-CB 3.45Å; Y212-Y242 PolarHBondContact O-N 2.95Å; G213-Y242 VanDerWaalsContact O-CD1 3.24Å; G213-Y242 WeakPolarHBondContact O-CD1 3.4Å; L214-Y242 HydrophobicContact CD2-CD1 4.37Å; L214-Y242 HydrophobicContact CD2-CD2 3.96Å; L214-Y242 HydrophobicContact CD2-CE2 4.42Å; L214-Y242 HydrophobicContact CD2-CG 3.96Å; F240-Y242 PolarHBondContact O-N 2.64Å; Y242-H244 HydrophobicContact CD1-CB 4.1Å; Y242-H244 HydrophobicContact CE1-CB 3.55Å; Y242-H244 AromaticContact CE1-CG 3.79Å; Y242-H244 AromaticContact CE1-ND1 3.41Å; Y242-H244 WeakPolarHBondContact CE1-ND1 3.41Å; Y242-H244 AromaticContact CZ-ND1 3.43Å; Y242-H244 PolarHBondContact OH-ND1 3.07Å; Y242-Q252 WeakPolarHBondContact OH-CG 3.44Å; Y242-Q252 PolarHBondContact OH-NE2 2.94Å; Y242-I255 WeakPolarHBondContact OH-CD1 3.41Å; Y242-L260 HydrophobicContact CD1-CD2 4.18Å; Y242-L260 HydrophobicContact CE1-CD2 3.94Å; Y242-K266 PolarHBondContact O-NZ 2.82Å
243A92.8Very high96.2Very high47 Ų4747.8 Ų47.839%0.38826%0.255SS..  trans-94.6101.9172.900000110.4N241 Q252N241-A243 PolarHBondContact O-N 2.74Å; A243-Q252 PolarHBondContact O-NE2 3.17Å
244H95.2Very high96.2Very high47 Ų4750.9 Ų50.922%0.21827%0.265CS..  trans-92.3108.9178.3-166.267.5000110.7Y242 D257 L260Y242-H244 HydrophobicContact CD1-CB 4.1Å; Y242-H244 HydrophobicContact CE1-CB 3.55Å; Y242-H244 AromaticContact CE1-CG 3.79Å; Y242-H244 AromaticContact CE1-ND1 3.41Å; Y242-H244 WeakPolarHBondContact CE1-ND1 3.41Å; Y242-H244 AromaticContact CZ-ND1 3.43Å; Y242-H244 PolarHBondContact OH-ND1 3.07Å; H244-D257 IonicContact NE2-OD1 3.6Å; H244-D257 PolarHBondContact NE2-OD1 2.9Å; H244-L260 HydrophobicContact CB-CD1 4.39Å
245L94.2Very high96.3Very high80 Ų8051.1 Ų51.142%0.41927%0.266SS..  trans-142.767.8178.8-159.465.2000110.6T247 I248 F249 Q252L245-T247 PolarHBondContact O-N 2.94Å; L245-T247 VanDerWaalsContact O-N 3.09Å; L245-I248 HydrophobicContact CD2-CB 4.25Å; L245-I248 HydrophobicContact CD2-CD1 3.43Å; L245-I248 VanDerWaalsContact CD2-CD1 3.43Å; L245-I248 HydrophobicContact CD2-CG1 3.76Å; L245-I248 HydrophobicContact CG-CB 4.37Å; L245-I248 HydrophobicContact CG-CD1 4.26Å; L245-I248 HydrophobicContact CG-CG1 4.04Å; L245-I248 PolarHBondContact O-N 2.93Å; L245-F249 HydrophobicContact CB-CD2 4.13Å; L245-F249 HydrophobicContact CB-CE2 4.3Å; L245-F249 PolarHBondContact O-N 3.19Å; L245-Q252 VanDerWaalsContact C-OE1 3.25Å
246P95.9Very high96.3Very high31 Ų3156.5 Ų56.520%0.20129%0.288CS..THydrogen-bonded Turntrans-68-11-17128.6-37.7000114.6Q252 R253P246-Q252 HydrophobicContact CB-CB 4.01Å; P246-R253 HydrophobicContact CB-CG 3.78Å; P246-R253 PolarHBondContact O-NE 2.82Å; P246-R253 PolarHBondContact O-NH2 2.77Å
247T95.6Very high96.2Very high110 Ų11060.5 Ų60.568%0.67531%0.311SS*.THydrogen-bonded Turntrans-67.4-37.9169.251.10000111.4L245L245-T247 PolarHBondContact O-N 2.94Å; L245-T247 VanDerWaalsContact O-N 3.09Å
248I92.3Very high96.2Very high117 Ų11765.2 Ų65.260%0.635%0.35SS*.THydrogen-bonded Turntrans-90.8-46.5177.5-57.3-164.3000110.8L245L245-I248 HydrophobicContact CD2-CB 4.25Å; L245-I248 HydrophobicContact CD2-CD1 3.43Å; L245-I248 VanDerWaalsContact CD2-CD1 3.43Å; L245-I248 HydrophobicContact CD2-CG1 3.76Å; L245-I248 HydrophobicContact CG-CB 4.37Å; L245-I248 HydrophobicContact CG-CD1 4.26Å; L245-I248 HydrophobicContact CG-CG1 4.04Å; L245-I248 PolarHBondContact O-N 2.93Å
249F94.8Very high96.3Very high64 Ų6466.4 Ų66.428%0.28136%0.356SS..  trans-102.889.3-175.1-53.2-63.9000110.9G70 L245 A251 Q252G70-F249 VanDerWaalsContact O-CE1 3.23Å; G70-F249 WeakPolarHBondContact O-CE1 3.38Å; L245-F249 HydrophobicContact CB-CD2 4.13Å; L245-F249 HydrophobicContact CB-CE2 4.3Å; L245-F249 PolarHBondContact O-N 3.19Å; F249-A251 PolarHBondContact O-N 3.12Å; F249-Q252 HydrophobicContact CB-CG 3.88Å; F249-Q252 WeakPolarHBondContact O-CB 3.35Å; F249-Q252 PolarHBondContact O-N 2.97Å
250A96.3Very high96.3Very high60 Ų6068.2 Ų68.250%0.49637%0.366SS..G310 helixtrans-54.1-31-171.100000115Q252 R253A250-Q252 PolarHBondContact O-N 3.25Å; A250-R253 WeakPolarHBondContact O-CB 3.48Å; A250-R253 WeakPolarHBondContact O-CG 3.47Å; A250-R253 PolarHBondContact O-N 2.99Å
251A96.2Very high96.4Very high14 Ų1466 Ų6612%0.11636%0.357CS..G310 helixtrans-63.2-30.3177.800000113.1L65 Y67 F249 R253 K254L65-A251 HydrophobicContact CD1-CB 3.84Å; L65-A251 HydrophobicContact CD2-CB 3.86Å; L65-A251 HydrophobicContact CG-CB 4Å; Y67-A251 CarbonylContact O-C 3.59Å; F249-A251 PolarHBondContact O-N 3.12Å; A251-R253 PolarHBondContact O-N 3.31Å; A251-K254 WeakPolarHBondContact O-CB 3.34Å; A251-K254 PolarHBondContact O-N 3.43Å; A251-K254 VanDerWaalsContact O-N 3.09Å
252Q98.4Very high96.5Very high1 Ų165.3 Ų65.31%0.00536%0.357CS..G310 helixtrans-66.6-17.9179.9-63.2-178-17.400112.2Y67 F68 Y242 A243 L245 P246 F249 A250 K254 I255Y67-Q252 VanDerWaalsContact O-CA 3.26Å; Y67-Q252 WeakPolarHBondContact O-CA 3.42Å; Y67-Q252 WeakPolarHBondContact O-CG 3.45Å; Y67-Q252 PolarHBondContact O-N 3.19Å; F68-Q252 PolarHBondContact O-NE2 2.88Å; Y242-Q252 WeakPolarHBondContact OH-CG 3.44Å; Y242-Q252 PolarHBondContact OH-NE2 2.94Å; A243-Q252 PolarHBondContact O-NE2 3.17Å; L245-Q252 VanDerWaalsContact C-OE1 3.25Å; P246-Q252 HydrophobicContact CB-CB 4.01Å; F249-Q252 HydrophobicContact CB-CG 3.88Å; F249-Q252 WeakPolarHBondContact O-CB 3.35Å; F249-Q252 PolarHBondContact O-N 2.97Å; A250-Q252 PolarHBondContact O-N 3.25Å; Q252-K254 PolarHBondContact O-N 2.78Å; Q252-K254 VanDerWaalsContact O-N 3.12Å; Q252-I255 WeakPolarHBondContact O-CB 3.47Å; Q252-I255 PolarHBondContact O-N 3.32Å
253R97.6Very high96.3Very high167 Ų16769.2 Ų69.263%0.6338%0.384SS*.G310 helixtrans-63.3-14.1171.8-60.6174.5-165165.93.4113.5P246 A250 A251P246-R253 HydrophobicContact CB-CG 3.78Å; P246-R253 PolarHBondContact O-NE 2.82Å; P246-R253 PolarHBondContact O-NH2 2.77Å; A250-R253 WeakPolarHBondContact O-CB 3.48Å; A250-R253 WeakPolarHBondContact O-CG 3.47Å; A250-R253 PolarHBondContact O-N 2.99Å; A251-R253 PolarHBondContact O-N 3.31Å
254K98.1Very high96.3Very high130 Ų13070.4 Ų70.457%0.56538%0.382SS*.G310 helixtrans-83.4-13.8173.7-66.7-179171.2-74.40112.8Y67 A251 Q252Y67-K254 HydrophobicContact CD1-CB 4.46Å; Y67-K254 HydrophobicContact CD1-CD 3.88Å; Y67-K254 HydrophobicContact CD2-CB 3.6Å; Y67-K254 HydrophobicContact CD2-CD 4.14Å; Y67-K254 HydrophobicContact CE1-CD 3.51Å; Y67-K254 HydrophobicContact CE2-CB 3.83Å; Y67-K254 HydrophobicContact CE2-CD 3.76Å; Y67-K254 HydrophobicContact CE2-CG 4.44Å; Y67-K254 HydrophobicContact CG-CB 3.95Å; Y67-K254 HydrophobicContact CG-CD 4.2Å; Y67-K254 VanDerWaalsContact CZ-CD 3.44Å; A251-K254 WeakPolarHBondContact O-CB 3.34Å; A251-K254 PolarHBondContact O-N 3.43Å; A251-K254 VanDerWaalsContact O-N 3.09Å; Q252-K254 PolarHBondContact O-N 2.78Å; Q252-K254 VanDerWaalsContact O-N 3.12Å
255I98.3Very high96.4Very high6 Ų671.1 Ų71.13%0.03139%0.385CS..SBendtrans-87.6132.4171.4-65.8167.5000107.3F68 V182 P215 Y242 Q252 L260F68-I255 HydrophobicContact CB-CD1 4.23Å; V182-I255 HydrophobicContact CG1-CD1 4.13Å; V182-I255 HydrophobicContact CG1-CG1 4.47Å; P215-I255 HydrophobicContact CB-CG2 4.05Å; P215-I255 HydrophobicContact CG-CG1 4.42Å; P215-I255 HydrophobicContact CG-CG2 3.89Å; Y242-I255 WeakPolarHBondContact OH-CD1 3.41Å; Q252-I255 WeakPolarHBondContact O-CB 3.47Å; Q252-I255 PolarHBondContact O-N 3.32Å; I255-L260 HydrophobicContact CG2-CD2 3.82Å
256K98Very high96.4Very high146 Ų14669.5 Ų69.564%0.63537%0.374SS*.  trans-83.3125.5176.7-59.5-178.5-175170.20109.5A258 D259K256-A258 PolarHBondContact O-N 3.04Å; K256-D259 HydrophobicContact CB-CB 4.36Å; K256-D259 WeakPolarHBondContact O-CB 3.36Å; K256-D259 PolarHBondContact O-N 3.06Å
257D97.6Very high96.3Very high108 Ų10869.2 Ų69.258%0.57837%0.371SS*.G310 helixtrans-54.4-37.2176.3-65.841.5000112.3H244 D259 L260H244-D257 IonicContact NE2-OD1 3.6Å; H244-D257 PolarHBondContact NE2-OD1 2.9Å; D257-D259 PolarHBondContact O-N 3.07Å; D257-L260 WeakPolarHBondContact O-CB 3.35Å; D257-L260 WeakPolarHBondContact O-CG 3.32Å; D257-L260 PolarHBondContact O-N 3.34Å; D257-L260 VanDerWaalsContact O-N 3.09Å
258A97.9Very high96.3Very high99 Ų9966.2 Ų66.282%0.81835%0.351SS*.G310 helixtrans-67.4-16.4178.600000114.3K256K256-A258 PolarHBondContact O-N 3.04Å
259D98.4Very high96.6Very high27 Ų2760.6 Ų60.614%0.14432%0.322CS..G310 helixtrans-90.2-9.8175-69.3-32.9000112.1P215 K216 K256 D257P215-D259 CarbonylContact C-O 3.53Å; P215-D259 WeakPolarHBondContact CA-O 3.32Å; P215-D259 HydrophobicContact CB-CB 3.76Å; K216-D259 HydrophobicContact CD-CB 4.26Å; K216-D259 WeakPolarHBondContact CE-OD1 3.21Å; K216-D259 HydrophobicContact CG-CB 4.47Å; K216-D259 PolarHBondContact N-O 3.09Å; K216-D259 IonicContact NZ-OD1 2.66Å; K216-D259 PolarHBondContact NZ-OD1 3.2Å; K256-D259 HydrophobicContact CB-CB 4.36Å; K256-D259 WeakPolarHBondContact O-CB 3.36Å; K256-D259 PolarHBondContact O-N 3.06Å; D257-D259 PolarHBondContact O-N 3.07Å
260L98.4Very high96.6Very high43 Ų4359 Ų5923%0.22532%0.316CS..SBendtrans-70.6141.2177.8-59.2178.3000110.3Y242 H244 I255 D257Y242-L260 HydrophobicContact CD1-CD2 4.18Å; Y242-L260 HydrophobicContact CE1-CD2 3.94Å; H244-L260 HydrophobicContact CB-CD1 4.39Å; I255-L260 HydrophobicContact CG2-CD2 3.82Å; D257-L260 WeakPolarHBondContact O-CB 3.35Å; D257-L260 WeakPolarHBondContact O-CG 3.32Å; D257-L260 PolarHBondContact O-N 3.34Å; D257-L260 VanDerWaalsContact O-N 3.09Å
261P98.1Very high96.5Very high12 Ų1259.9 Ų59.98%0.07831%0.31CS..PPolyproline II helixtrans-60.5143.8174.722.8-31.6000110.7L214 Q265 K266L214-P261 VanDerWaalsContact O-CD 3.29Å; L214-P261 WeakPolarHBondContact O-CD 3.21Å; P261-Q265 HydrophobicContact CB-CB 3.87Å; P261-K266 HydrophobicContact CB-CG 4.07Å; P261-K266 HydrophobicContact CG-CD 4.24Å; P261-K266 HydrophobicContact CG-CG 3.7Å
262S96.1Very high96.6Very high48 Ų4862.9 Ų62.934%0.33632%0.322SS..PPolyproline II helixtrans-58158.6172.464.70000111.5Q264 Q265 K266S262-Q264 PolarHBondContact O-N 3.01Å; S262-Q265 PolarHBondContact O-N 3.24Å; S262-Q265 VanDerWaalsContact O-N 3.12Å; S262-Q265 WeakPolarHBondContact OG-CG 3.3Å; S262-Q265 PolarHBondContact OG-N 2.92Å; S262-Q265 PolarHBondContact OG-OE1 3.44Å; S262-K266 PolarHBondContact O-N 3.02Å
263P91.5Very high96.5Very high96 Ų9662.9 Ų62.962%0.62332%0.322SS*.Hα-helixtrans-53.3-39.8176.1-28.335.9000113.5K266 L267P263-K266 PolarHBondContact O-N 3.07Å; P263-L267 WeakPolarHBondContact O-CG 3.43Å; P263-L267 PolarHBondContact O-N 3.27Å; P263-L267 VanDerWaalsContact O-N 3.15Å
264Q93.9Very high96.4Very high73 Ų7355.7 Ų55.734%0.34130%0.296SS..Hα-helixtrans-64.5-47.3177.5-172.459.348.600111.4S262 K266 L267 D268S262-Q264 PolarHBondContact O-N 3.01Å; Q264-K266 VanDerWaalsContact C-N 3.26Å; Q264-K266 PolarHBondContact O-N 3.16Å; Q264-L267 WeakPolarHBondContact O-CA 3.47Å; Q264-L267 WeakPolarHBondContact O-CB 3.46Å; Q264-L267 PolarHBondContact O-N 3.21Å; Q264-D268 PolarHBondContact NE2-OD1 3.33Å; Q264-D268 VanDerWaalsContact O-CG 3.22Å; Q264-D268 PolarHBondContact O-N 2.9Å
265Q96.6Very high96.3Very high62 Ų6252.3 Ų52.329%0.2929%0.292SS..Hα-helixtrans-59.4-36.9176.6-73.8170.7-58.600112.4P261 S262 L267 D268 I269P261-Q265 HydrophobicContact CB-CB 3.87Å; S262-Q265 PolarHBondContact O-N 3.24Å; S262-Q265 VanDerWaalsContact O-N 3.12Å; S262-Q265 WeakPolarHBondContact OG-CG 3.3Å; S262-Q265 PolarHBondContact OG-N 2.92Å; S262-Q265 PolarHBondContact OG-OE1 3.44Å; Q265-L267 VanDerWaalsContact C-N 3.32Å; Q265-L267 PolarHBondContact O-N 3.4Å; Q265-D268 PolarHBondContact O-N 2.76Å; Q265-I269 WeakPolarHBondContact O-CB 3.46Å; Q265-I269 WeakPolarHBondContact O-CD1 3.44Å; Q265-I269 WeakPolarHBondContact O-CG1 3.33Å; Q265-I269 PolarHBondContact O-N 3.11Å
266K95.3Very high96.2Very high45 Ų4554 Ų5420%0.19630%0.299CS..Hα-helixtrans-64.7-36.9175.2-69.8-173.568.4167.60112.4Y212 N241 Y242 P261 S262 P263 Q264 L270Y212-K266 HydrophobicContact CD2-CB 4.38Å; Y212-K266 HydrophobicContact CE2-CB 4.19Å; N241-K266 WeakPolarHBondContact OD1-CE 3.4Å; N241-K266 PolarHBondContact OD1-NZ 2.89Å; Y242-K266 PolarHBondContact O-NZ 2.82Å; P261-K266 HydrophobicContact CB-CG 4.07Å; P261-K266 HydrophobicContact CG-CD 4.24Å; P261-K266 HydrophobicContact CG-CG 3.7Å; S262-K266 PolarHBondContact O-N 3.02Å; P263-K266 PolarHBondContact O-N 3.07Å; Q264-K266 VanDerWaalsContact C-N 3.26Å; Q264-K266 PolarHBondContact O-N 3.16Å; K266-L270 WeakPolarHBondContact O-CB 3.43Å; K266-L270 PolarHBondContact O-N 3.43Å; K266-L270 VanDerWaalsContact O-N 3.1Å
267L93.4Very high96.2Very high25 Ų2547 Ų4713%0.13127%0.269CS..Hα-helixtrans-68.6-45.2175.4-70178.5000111.3W8 L10 I13 Q14 P263 Q264 Q265 I269 L270 Q271W8-L267 HydrophobicContact CH2-CB 4.28Å; W8-L267 HydrophobicContact CH2-CD2 4.25Å; W8-L267 WeakPolarHBondContact CH2-O 3.4Å; W8-L267 HydrophobicContact CZ2-CB 4.07Å; W8-L267 HydrophobicContact CZ2-CD2 4.48Å; L10-L267 HydrophobicContact CD1-CD1 3.73Å; I13-L267 HydrophobicContact CG2-CD1 4.4Å; I13-L267 HydrophobicContact CG2-CD2 3.62Å; Q14-L267 HydrophobicContact CG-CD1 4.4Å; P263-L267 WeakPolarHBondContact O-CG 3.43Å; P263-L267 PolarHBondContact O-N 3.27Å; P263-L267 VanDerWaalsContact O-N 3.15Å; Q264-L267 WeakPolarHBondContact O-CA 3.47Å; Q264-L267 WeakPolarHBondContact O-CB 3.46Å; Q264-L267 PolarHBondContact O-N 3.21Å; Q265-L267 VanDerWaalsContact C-N 3.32Å; Q265-L267 PolarHBondContact O-N 3.4Å; L267-I269 PolarHBondContact O-N 2.61Å; L267-L270 PolarHBondContact O-N 2.87Å; L267-L270 VanDerWaalsContact O-N 3.16Å; L267-Q271 PolarHBondContact O-N 3.41Å
268D96.1Very high96Very high47 Ų4743.8 Ų43.825%0.25125%0.253SS..Hα-helixtrans-59.8-46.6177-58.4-21.9000110.4P219 Q264 Q265 L270 Q271 E272P219-D268 HydrophobicContact CB-CB 4.37Å; P219-D268 HydrophobicContact CG-CB 3.77Å; Q264-D268 PolarHBondContact NE2-OD1 3.33Å; Q264-D268 VanDerWaalsContact O-CG 3.22Å; Q264-D268 PolarHBondContact O-N 2.9Å; Q265-D268 PolarHBondContact O-N 2.76Å; D268-L270 VanDerWaalsContact C-N 3.33Å; D268-L270 PolarHBondContact O-N 3.3Å; D268-Q271 PolarHBondContact O-N 3.32Å; D268-E272 WeakPolarHBondContact O-CB 3.4Å; D268-E272 WeakPolarHBondContact O-CG 3.47Å; D268-E272 PolarHBondContact O-N 3Å
269I97.4Very high95.9Very high0 Ų047 Ų470%025%0.251CS..Hα-helixtrans-56-46174.3-70.2162.2000111.2Y212 Q217 P219 F222 Q265 L267 T273Y212-I269 HydrophobicContact CD2-CG2 4.2Å; Y212-I269 HydrophobicContact CG-CG2 4.18Å; Q217-I269 HydrophobicContact CB-CD1 4.38Å; P219-I269 HydrophobicContact CB-CG1 4.41Å; P219-I269 HydrophobicContact CG-CG1 4.24Å; F222-I269 HydrophobicContact CB-CG1 4.18Å; F222-I269 HydrophobicContact CB-CG2 3.92Å; F222-I269 HydrophobicContact CD1-CG2 3.41Å; F222-I269 VanDerWaalsContact CD1-CG2 3.41Å; F222-I269 HydrophobicContact CD2-CG2 4.37Å; F222-I269 HydrophobicContact CE1-CG2 3.96Å; F222-I269 HydrophobicContact CG-CG2 3.63Å; Q265-I269 WeakPolarHBondContact O-CB 3.46Å; Q265-I269 WeakPolarHBondContact O-CD1 3.44Å; Q265-I269 WeakPolarHBondContact O-CG1 3.33Å; Q265-I269 PolarHBondContact O-N 3.11Å; L267-I269 PolarHBondContact O-N 2.61Å; I269-T273 VanDerWaalsContact O-CB 3.23Å; I269-T273 WeakPolarHBondContact O-CB 3.11Å; I269-T273 PolarHBondContact O-N 3.26Å; I269-T273 PolarHBondContact O-OG1 3.05Å
270L95.2Very high95.9Very high29 Ų2947.8 Ų47.815%0.15226%0.259CS..Hα-helixtrans-65.3-44.8-179.3179.562.5000111.7W8 Y212 K266 L267 D268 T273 I274W8-L270 HydrophobicContact CH2-CB 4.35Å; W8-L270 HydrophobicContact CH2-CD2 4.39Å; W8-L270 HydrophobicContact CH2-CG 4.45Å; W8-L270 HydrophobicContact CZ3-CB 4.46Å; W8-L270 HydrophobicContact CZ3-CD2 4.25Å; W8-L270 HydrophobicContact CZ3-CG 4.16Å; Y212-L270 HydrophobicContact CE1-CD1 4.27Å; Y212-L270 HydrophobicContact CE2-CB 4.32Å; K266-L270 WeakPolarHBondContact O-CB 3.43Å; K266-L270 PolarHBondContact O-N 3.43Å; K266-L270 VanDerWaalsContact O-N 3.1Å; L267-L270 PolarHBondContact O-N 2.87Å; L267-L270 VanDerWaalsContact O-N 3.16Å; D268-L270 VanDerWaalsContact C-N 3.33Å; D268-L270 PolarHBondContact O-N 3.3Å; L270-T273 PolarHBondContact O-N 2.83Å; L270-I274 HydrophobicContact CD1-CD1 3.98Å; L270-I274 HydrophobicContact CD1-CG1 4.41Å; L270-I274 HydrophobicContact CG-CD1 3.94Å; L270-I274 WeakPolarHBondContact O-CD1 3.3Å; L270-I274 WeakPolarHBondContact O-CG1 3.22Å; L270-I274 PolarHBondContact O-N 2.93Å
271Q95.1Very high95.8Very high79 Ų7947.6 Ų47.637%0.36927%0.267SS..Hα-helixtrans-60.4-50.2178-172.8178.2600111.1W8 L267 D268 T273 I274 A275W8-Q271 HydrophobicContact CB-CG 4.41Å; W8-Q271 VanDerWaalsContact CD1-CD 3.45Å; W8-Q271 VanDerWaalsContact CD1-NE2 3.29Å; W8-Q271 HydrophobicContact CD2-CB 3.81Å; W8-Q271 HydrophobicContact CD2-CG 3.57Å; W8-Q271 HydrophobicContact CE3-CB 3.75Å; W8-Q271 HydrophobicContact CE3-CG 3.82Å; W8-Q271 HydrophobicContact CG-CG 3.83Å; W8-Q271 HydrophobicContact CH2-CB 3.73Å; W8-Q271 HydrophobicContact CZ2-CB 3.78Å; W8-Q271 HydrophobicContact CZ2-CG 4.36Å; W8-Q271 HydrophobicContact CZ3-CB 3.71Å; W8-Q271 HydrophobicContact CZ3-CG 4.32Å; L267-Q271 PolarHBondContact O-N 3.41Å; D268-Q271 PolarHBondContact O-N 3.32Å; Q271-T273 VanDerWaalsContact C-N 3.32Å; Q271-T273 PolarHBondContact O-N 3.12Å; Q271-I274 PolarHBondContact O-N 2.75Å; Q271-A275 WeakPolarHBondContact O-CB 3.5Å; Q271-A275 PolarHBondContact O-N 2.72Å
272E96.7Very high95.7Very high77 Ų7747.3 Ų47.336%0.3627%0.265SS..Hα-helixtrans-61.6-40.6177.7-72.2177.8-167.800111.4T223 D268 A275 F276T223-E272 PolarHBondContact OG1-OE2 2.85Å; D268-E272 WeakPolarHBondContact O-CB 3.4Å; D268-E272 WeakPolarHBondContact O-CG 3.47Å; D268-E272 PolarHBondContact O-N 3Å; E272-A275 PolarHBondContact O-N 2.98Å; E272-F276 WeakPolarHBondContact O-CB 3.4Å; E272-F276 PolarHBondContact O-N 2.95Å
273T97.5Very high95.7Very high1 Ų146 Ų461%0.00625%0.253CS..Hα-helixtrans-59.4-50.1176.4-62.60000111.8F222 L226 V239 I269 L270 Q271 A275 F276 L277 F290F222-T273 WeakPolarHBondContact CE1-OG1 3.47Å; L226-T273 HydrophobicContact CD1-CG2 4.25Å; L226-T273 HydrophobicContact CD2-CG2 4.2Å; V239-T273 HydrophobicContact CG1-CG2 4.2Å; V239-T273 HydrophobicContact CG2-CG2 4.24Å; I269-T273 VanDerWaalsContact O-CB 3.23Å; I269-T273 WeakPolarHBondContact O-CB 3.11Å; I269-T273 PolarHBondContact O-N 3.26Å; I269-T273 PolarHBondContact O-OG1 3.05Å; L270-T273 PolarHBondContact O-N 2.83Å; Q271-T273 VanDerWaalsContact C-N 3.32Å; Q271-T273 PolarHBondContact O-N 3.12Å; T273-A275 VanDerWaalsContact C-N 3.35Å; T273-A275 PolarHBondContact O-N 3.35Å; T273-F276 PolarHBondContact O-N 3.37Å; T273-L277 HydrophobicContact CG2-CD1 3.71Å; T273-L277 HydrophobicContact CG2-CG 4.21Å; T273-L277 WeakPolarHBondContact O-CB 3.41Å; T273-L277 WeakPolarHBondContact O-CG 3.46Å; T273-L277 PolarHBondContact O-N 2.9Å; T273-F290 HydrophobicContact CG2-CZ 4.43Å
274I95.5Very high95.9Very high16 Ų1641.9 Ų41.98%0.08223%0.226CC..Hα-helixtrans-60.6-48179.8-69.6157.4000110I6 W8 L270 Q271 T278 F290 L431I6-I274 HydrophobicContact CD1-CD1 3.97Å; I6-I274 HydrophobicContact CD1-CG1 4.3Å; I6-I274 HydrophobicContact CD1-CG2 3.76Å; W8-I274 HydrophobicContact CZ3-CD1 4.47Å; L270-I274 HydrophobicContact CD1-CD1 3.98Å; L270-I274 HydrophobicContact CD1-CG1 4.41Å; L270-I274 HydrophobicContact CG-CD1 3.94Å; L270-I274 WeakPolarHBondContact O-CD1 3.3Å; L270-I274 WeakPolarHBondContact O-CG1 3.22Å; L270-I274 PolarHBondContact O-N 2.93Å; Q271-I274 PolarHBondContact O-N 2.75Å; I274-T278 WeakPolarHBondContact O-CB 3.46Å; I274-T278 PolarHBondContact O-N 2.97Å; I274-T278 PolarHBondContact O-OG1 3.15Å; I274-F290 HydrophobicContact CG1-CE1 4.25Å; I274-F290 HydrophobicContact CG1-CZ 3.91Å; I274-L431 HydrophobicContact CD1-CD1 4.2Å; I274-L431 HydrophobicContact CD1-CD2 3.8Å
275A95.2Very high96Very high60 Ų6038.4 Ų38.450%0.49621%0.209SC..Hα-helixtrans-62.2-47-179.700000112Q271 E272 T273 T278 Q279Q271-A275 WeakPolarHBondContact O-CB 3.5Å; Q271-A275 PolarHBondContact O-N 2.72Å; E272-A275 PolarHBondContact O-N 2.98Å; T273-A275 VanDerWaalsContact C-N 3.35Å; T273-A275 PolarHBondContact O-N 3.35Å; A275-T278 PolarHBondContact O-N 2.93Å; A275-Q279 WeakPolarHBondContact O-CB 3.41Å; A275-Q279 PolarHBondContact O-N 3.47Å
276F97Very high95.9Very high40 Ų4035.4 Ų35.418%0.17520%0.196CC..Hα-helixtrans-66.6-46.5-178.3-176.5-87000112.4L226 K227 A230 E272 T273 T278 Q279 S280L226-F276 HydrophobicContact CB-CD1 3.67Å; L226-F276 HydrophobicContact CB-CE1 3.75Å; L226-F276 HydrophobicContact CB-CG 4.31Å; L226-F276 HydrophobicContact CB-CZ 4.46Å; L226-F276 HydrophobicContact CD1-CB 4.25Å; L226-F276 HydrophobicContact CD1-CD1 4.23Å; L226-F276 HydrophobicContact CD1-CG 4.37Å; L226-F276 HydrophobicContact CG-CD1 4.48Å; L226-F276 WeakPolarHBondContact O-CE1 3.5Å; K227-F276 HydrophobicContact CG-CE2 4.08Å; K227-F276 HydrophobicContact CG-CZ 3.96Å; A230-F276 HydrophobicContact CB-CE1 4Å; A230-F276 HydrophobicContact CB-CZ 4.19Å; E272-F276 WeakPolarHBondContact O-CB 3.4Å; E272-F276 PolarHBondContact O-N 2.95Å; T273-F276 PolarHBondContact O-N 3.37Å; F276-T278 VanDerWaalsContact C-N 3.31Å; F276-T278 PolarHBondContact O-N 2.78Å; F276-Q279 PolarHBondContact O-N 2.92Å; F276-S280 WeakPolarHBondContact CE1-OG 3.36Å; F276-S280 WeakPolarHBondContact O-CB 3.14Å; F276-S280 PolarHBondContact O-N 3.43Å; F276-S280 PolarHBondContact O-OG 2.76Å
277L96.8Very high95.5Very high1 Ų134 Ų341%0.00519%0.19CC..Hα-helixtrans-66.1-36.4177.9-67.9-179.2000111.3L226 L237 V239 T273 S280 G281 Y282 F290L226-L277 HydrophobicContact CD2-CD2 4.29Å; L226-L277 HydrophobicContact CD2-CG 4.49Å; L237-L277 HydrophobicContact CD1-CD2 4.48Å; L237-L277 HydrophobicContact CD2-CD1 4.08Å; L237-L277 HydrophobicContact CD2-CD2 3.77Å; V239-L277 HydrophobicContact CG2-CD1 4.17Å; T273-L277 HydrophobicContact CG2-CD1 3.71Å; T273-L277 HydrophobicContact CG2-CG 4.21Å; T273-L277 WeakPolarHBondContact O-CB 3.41Å; T273-L277 WeakPolarHBondContact O-CG 3.46Å; T273-L277 PolarHBondContact O-N 2.9Å; L277-S280 CarbonylContact O-C 3.57Å; L277-S280 PolarHBondContact O-N 2.96Å; L277-G281 PolarHBondContact O-N 3.4Å; L277-Y282 HydrophobicContact CB-CD2 4.36Å; L277-Y282 HydrophobicContact CD2-CD2 4.19Å; L277-Y282 WeakPolarHBondContact O-CB 3.47Å; L277-Y282 WeakPolarHBondContact O-CD2 3.32Å; L277-Y282 PolarHBondContact O-N 2.87Å; L277-F290 HydrophobicContact CB-CD1 4Å; L277-F290 HydrophobicContact CB-CE1 4.16Å; L277-F290 HydrophobicContact CD1-CB 4.4Å; L277-F290 HydrophobicContact CD1-CD1 3.83Å; L277-F290 HydrophobicContact CD1-CD2 3.75Å; L277-F290 HydrophobicContact CD1-CE1 3.94Å; L277-F290 HydrophobicContact CD1-CE2 3.88Å; L277-F290 HydrophobicContact CD1-CG 3.73Å; L277-F290 HydrophobicContact CD1-CZ 3.97Å
278T94.9Very high95.3Very high39 Ų3933.7 Ų33.724%0.23919%0.188CC..Hα-helixtrans-62.9-44.7172.9-57.80000111.6Q5 I274 A275 F276 S280 G281 Y282Q5-T278 HydrophobicContact CG-CG2 4.26Å; I274-T278 WeakPolarHBondContact O-CB 3.46Å; I274-T278 PolarHBondContact O-N 2.97Å; I274-T278 PolarHBondContact O-OG1 3.15Å; A275-T278 PolarHBondContact O-N 2.93Å; F276-T278 VanDerWaalsContact C-N 3.31Å; F276-T278 PolarHBondContact O-N 2.78Å; T278-S280 PolarHBondContact O-N 2.81Å; T278-G281 PolarHBondContact O-N 2.75Å; T278-G281 VanDerWaalsContact O-N 3.12Å; T278-Y282 WeakPolarHBondContact CA-O 3.36Å
279Q95.8Very high95.3Very high166 Ų16632.9 Ų32.978%0.77618%0.183SC*.Hα-helixtrans-62.7-32.8174.1-178.4177.45600112.2A275 F276 G281A275-Q279 WeakPolarHBondContact O-CB 3.41Å; A275-Q279 PolarHBondContact O-N 3.47Å; F276-Q279 PolarHBondContact O-N 2.92Å; Q279-G281 PolarHBondContact O-N 3.32Å
280S96.4Very high95.3Very high44 Ų4433.1 Ų33.131%0.30818%0.184SC..THydrogen-bonded Turntrans-78.84.5177-54.80000113.5F276 L277 T278F276-S280 WeakPolarHBondContact CE1-OG 3.36Å; F276-S280 WeakPolarHBondContact O-CB 3.14Å; F276-S280 PolarHBondContact O-N 3.43Å; F276-S280 PolarHBondContact O-OG 2.76Å; L277-S280 CarbonylContact O-C 3.57Å; L277-S280 PolarHBondContact O-N 2.96Å; T278-S280 PolarHBondContact O-N 2.81Å
281G96.3Very high95.5Very high39 Ų3931.8 Ų31.840%0.40218%0.177SC..THydrogen-bonded Turntrans90.916.6174.100000115.3L277 T278 Q279 P293L277-G281 PolarHBondContact O-N 3.4Å; T278-G281 PolarHBondContact O-N 2.75Å; T278-G281 VanDerWaalsContact O-N 3.12Å; Q279-G281 PolarHBondContact O-N 3.32Å; G281-P293 WeakPolarHBondContact O-CD 3.23Å
282Y97.2Very high95.5Very high7 Ų731.5 Ų31.53%0.02717%0.173CC..  trans-98.1137.7173.3-60.3-83.5000111.8P234 L237 L277 T278 R292P234-Y282 WeakPolarHBondContact CD-OH 3.47Å; P234-Y282 VanDerWaalsContact O-CE1 3.31Å; P234-Y282 WeakPolarHBondContact O-CE1 3.5Å; P234-Y282 PolarHBondContact O-OH 3.38Å; L237-Y282 HydrophobicContact CD1-CD1 3.57Å; L237-Y282 HydrophobicContact CD1-CD2 4.05Å; L237-Y282 HydrophobicContact CD1-CE1 3.45Å; L237-Y282 VanDerWaalsContact CD1-CE1 3.45Å; L237-Y282 HydrophobicContact CD1-CE2 3.95Å; L237-Y282 HydrophobicContact CD1-CG 3.87Å; L277-Y282 HydrophobicContact CB-CD2 4.36Å; L277-Y282 HydrophobicContact CD2-CD2 4.19Å; L277-Y282 WeakPolarHBondContact O-CB 3.47Å; L277-Y282 WeakPolarHBondContact O-CD2 3.32Å; L277-Y282 PolarHBondContact O-N 2.87Å; T278-Y282 WeakPolarHBondContact CA-O 3.36Å; Y282-R292 HydrophobicContact CD1-CG 4.38Å; Y282-R292 HydrophobicContact CE1-CG 4.29Å
283Q96.4Very high95.5Very high20 Ų2030.8 Ų30.89%0.09318%0.175CC..EExtended strand (participates in β ladder)trans-83.4131.1167.7-177178.2-53.600109.5V3 I285 F290 A291 R302V3-Q283 HydrophobicContact CG1-CG 4.39Å; Q283-I285 HydrophobicContact CB-CD1 4.29Å; Q283-I285 HydrophobicContact CG-CD1 4.15Å; Q283-I285 PolarHBondContact O-N 3.19Å; Q283-I285 VanDerWaalsContact O-N 3.12Å; Q283-F290 VanDerWaalsContact O-CA 3.31Å; Q283-F290 WeakPolarHBondContact O-CA 3.44Å; Q283-A291 PolarHBondContact N-O 3.47Å; Q283-A291 PolarHBondContact O-N 2.94Å; Q283-A291 VanDerWaalsContact O-N 3.07Å; Q283-R302 VanDerWaalsContact OE1-NH1 3.12Å
284F96Very high95.5Very high9 Ų936.9 Ų36.94%0.03921%0.207CC..EExtended strand (participates in β ladder)trans-69.8105.6163.8-179.5-113.5000109.4I6 M287 F290 R430 L431I6-F284 HydrophobicContact CD1-CB 4.06Å; I6-F284 HydrophobicContact CD1-CD1 3.04Å; I6-F284 HydrophobicContact CD1-CD2 4.35Å; I6-F284 HydrophobicContact CD1-CE1 3.35Å; I6-F284 HydrophobicContact CD1-CG 3.57Å; I6-F284 HydrophobicContact CD1-CZ 4.11Å; I6-F284 HydrophobicContact CG1-CD1 3.69Å; I6-F284 HydrophobicContact CG1-CE1 4.13Å; I6-F284 HydrophobicContact CG1-CG 4.46Å; F284-M287 VanDerWaalsContact CE2-O 3.25Å; F284-M287 WeakPolarHBondContact CE2-O 3.21Å; F284-M287 VanDerWaalsContact CZ-O 3.27Å; F284-M287 WeakPolarHBondContact CZ-O 3.38Å; F284-F290 HydrophobicContact CB-CD1 4.07Å; F284-F290 HydrophobicContact CB-CE1 3.88Å; F284-F290 HydrophobicContact CD2-CD1 4.02Å; F284-F290 HydrophobicContact CD2-CD2 4.43Å; F284-F290 AromaticContact CD2-CE1 3.53Å; F284-F290 HydrophobicContact CD2-CE1 3.53Å; F284-F290 AromaticContact CD2-CE2 3.97Å; F284-F290 HydrophobicContact CD2-CE2 3.97Å; F284-F290 HydrophobicContact CD2-CG 4.44Å; F284-F290 AromaticContact CD2-CZ 3.5Å; F284-F290 HydrophobicContact CD2-CZ 3.5Å; F284-F290 HydrophobicContact CE2-CE1 4.48Å; F284-F290 HydrophobicContact CE2-CE2 4.29Å; F284-F290 HydrophobicContact CE2-CZ 4.03Å; F284-F290 HydrophobicContact CG-CE1 4.15Å; F284-F290 HydrophobicContact CG-CZ 4.48Å; F284-R430 PolarHBondContact O-NH2 3.25Å; F284-L431 HydrophobicContact CE1-CD2 4.29Å; F284-L431 HydrophobicContact CZ-CD2 4.05Å
285I96.1Very high95.6Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-70.5-52178.5-56.7-55.3000108.2Q283 H289 A291 A298 Q301 L306 Y313 F381 R430Q283-I285 HydrophobicContact CB-CD1 4.29Å; Q283-I285 HydrophobicContact CG-CD1 4.15Å; Q283-I285 PolarHBondContact O-N 3.19Å; Q283-I285 VanDerWaalsContact O-N 3.12Å; I285-H289 HydrophobicContact CB-CB 4.35Å; I285-H289 PolarHBondContact N-O 3.41Å; I285-A291 HydrophobicContact CD1-CB 4.09Å; I285-A291 HydrophobicContact CG1-CB 3.87Å; I285-A298 HydrophobicContact CD1-CB 3.76Å; I285-Q301 PolarHBondContact O-NE2 2.92Å; I285-Q301 PolarHBondContact O-OE1 3.46Å; I285-L306 HydrophobicContact CG2-CD2 3.69Å; I285-Y313 HydrophobicContact CG2-CD2 3.91Å; I285-Y313 HydrophobicContact CG2-CE2 3.9Å; I285-Y313 HydrophobicContact CG2-CG 4.41Å; I285-F381 WeakPolarHBondContact O-CE2 3.5Å; I285-R430 PolarHBondContact O-NH2 2.99Å
286G92.6Very high95.7Very high0 Ų036.7 Ų36.70%020%0.196CC..EExtended strand (participates in β ladder)trans160.7157.6179.100000112.3D288 H289 Y313G286-D288 PolarHBondContact O-N 3.43Å; G286-H289 PolarHBondContact N-O 2.94Å; G286-H289 PolarHBondContact O-N 3.12Å; G286-Y313 WeakPolarHBondContact O-CE2 3.29Å
287M88.9Confident95.7Very high16 Ų1635 Ų358%0.07919%0.189CC..THydrogen-bonded Turntrans52.7-93.6-174.8-68.1179.9-72.400112.5F284 Y313 I378 I433F284-M287 VanDerWaalsContact CE2-O 3.25Å; F284-M287 WeakPolarHBondContact CE2-O 3.21Å; F284-M287 VanDerWaalsContact CZ-O 3.27Å; F284-M287 WeakPolarHBondContact CZ-O 3.38Å; M287-Y313 HydrophobicContact CE-CE1 4.19Å; M287-Y313 HydrophobicContact CE-CE2 4.02Å; M287-Y313 WeakPolarHBondContact CE-OH 3.45Å; M287-I378 HydrophobicContact CE-CG2 3.51Å; M287-I378 HydrophobicContact SD-CG2 4.22Å; M287-I433 HydrophobicContact CG-CG2 4.15Å
288D89Confident95.7Very high18 Ų1835 Ų3510%0.09619%0.189CC..THydrogen-bonded Turntrans-122.52.6-170.7-42.5-32.7000110.3S238 V239 F240 G286 R434S238-D288 CarbonylContact C-O 3.53Å; S238-D288 VanDerWaalsContact CA-O 3.28Å; S238-D288 WeakPolarHBondContact CA-O 3.44Å; V239-D288 PolarHBondContact N-O 3.37Å; F240-D288 HydrophobicContact CD1-CB 4Å; F240-D288 HydrophobicContact CE1-CB 4.31Å; G286-D288 PolarHBondContact O-N 3.43Å; D288-R434 IonicContact OD1-NH2 2.7Å; D288-R434 PolarHBondContact OD1-NH2 3.25Å; D288-R434 IonicContact OD2-NH2 3.48Å
289H96.1Very high95.8Very high29 Ų2935.3 Ų35.313%0.13419%0.191CC..EExtended strand (participates in β ladder)trans-108.4137.4-171.5-79.932.9000114.1L237 S238 I285 G286 Y313L237-H289 WeakPolarHBondContact O-CA 3.45Å; S238-H289 PolarHBondContact OG-CE1 2.87Å; I285-H289 HydrophobicContact CB-CB 4.35Å; I285-H289 PolarHBondContact N-O 3.41Å; G286-H289 PolarHBondContact N-O 2.94Å; G286-H289 PolarHBondContact O-N 3.12Å; H289-Y313 HydrophobicContact CB-CD2 3.94Å; H289-Y313 HydrophobicContact CB-CE2 4.1Å; H289-Y313 AromaticContact CD2-CD2 3.86Å; H289-Y313 AromaticContact CG-CD2 3.96Å
290F97.5Very high95.9Very high5 Ų527.8 Ų27.82%0.02216%0.157CC..EExtended strand (participates in β ladder)trans-126.4140.3172.6-59.1-100.9000109.5R236 L237 V239 T273 I274 L277 Q283 F284R236-F290 CarbonylContact C-O 3.43Å; R236-F290 VanDerWaalsContact CA-O 3.32Å; R236-F290 WeakPolarHBondContact CA-O 3.31Å; L237-F290 HydrophobicContact CB-CB 4.26Å; L237-F290 HydrophobicContact CD1-CB 4.23Å; L237-F290 PolarHBondContact N-O 2.99Å; L237-F290 PolarHBondContact O-N 2.86Å; V239-F290 HydrophobicContact CB-CE2 4.22Å; V239-F290 HydrophobicContact CG2-CD2 4.04Å; V239-F290 HydrophobicContact CG2-CE2 3.89Å; T273-F290 HydrophobicContact CG2-CZ 4.43Å; I274-F290 HydrophobicContact CG1-CE1 4.25Å; I274-F290 HydrophobicContact CG1-CZ 3.91Å; L277-F290 HydrophobicContact CB-CD1 4Å; L277-F290 HydrophobicContact CB-CE1 4.16Å; L277-F290 HydrophobicContact CD1-CB 4.4Å; L277-F290 HydrophobicContact CD1-CD1 3.83Å; L277-F290 HydrophobicContact CD1-CD2 3.75Å; L277-F290 HydrophobicContact CD1-CE1 3.94Å; L277-F290 HydrophobicContact CD1-CE2 3.88Å; L277-F290 HydrophobicContact CD1-CG 3.73Å; L277-F290 HydrophobicContact CD1-CZ 3.97Å; Q283-F290 VanDerWaalsContact O-CA 3.31Å; Q283-F290 WeakPolarHBondContact O-CA 3.44Å; F284-F290 HydrophobicContact CB-CD1 4.07Å; F284-F290 HydrophobicContact CB-CE1 3.88Å; F284-F290 HydrophobicContact CD2-CD1 4.02Å; F284-F290 HydrophobicContact CD2-CD2 4.43Å; F284-F290 AromaticContact CD2-CE1 3.53Å; F284-F290 HydrophobicContact CD2-CE1 3.53Å; F284-F290 AromaticContact CD2-CE2 3.97Å; F284-F290 HydrophobicContact CD2-CE2 3.97Å; F284-F290 HydrophobicContact CD2-CG 4.44Å; F284-F290 AromaticContact CD2-CZ 3.5Å; F284-F290 HydrophobicContact CD2-CZ 3.5Å; F284-F290 HydrophobicContact CE2-CE1 4.48Å; F284-F290 HydrophobicContact CE2-CE2 4.29Å; F284-F290 HydrophobicContact CE2-CZ 4.03Å; F284-F290 HydrophobicContact CG-CE1 4.15Å; F284-F290 HydrophobicContact CG-CZ 4.48Å
291A97.5Very high95.9Very high1 Ų126.4 Ų26.41%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-147.3161.2176.300000109.8R236 Q283 I285 D295R236-A291 HydrophobicContact CG-CB 3.96Å; Q283-A291 PolarHBondContact N-O 3.47Å; Q283-A291 PolarHBondContact O-N 2.94Å; Q283-A291 VanDerWaalsContact O-N 3.07Å; I285-A291 HydrophobicContact CD1-CB 4.09Å; I285-A291 HydrophobicContact CG1-CB 3.87Å; A291-D295 HydrophobicContact CB-CB 3.81Å
292R96.6Very high95.8Very high73 Ų7329.8 Ų29.828%0.27515%0.146SC..  trans-62152.1175.2-62.1-175.8-176-92.2-9.4111.3N233 D235 Y282 D294 D295 A298N233-R292 VanDerWaalsContact CG-NH2 3.32Å; N233-R292 PolarHBondContact ND2-NH2 2.97Å; N233-R292 PolarHBondContact OD1-NH2 2.77Å; D235-R292 IonicContact OD1-NE 3.51Å; Y282-R292 HydrophobicContact CD1-CG 4.38Å; Y282-R292 HydrophobicContact CE1-CG 4.29Å; R292-D294 WeakPolarHBondContact CB-OD1 3.43Å; R292-D294 PolarHBondContact O-N 2.99Å; R292-D295 HydrophobicContact CB-CB 4.46Å; R292-D295 WeakPolarHBondContact O-CB 2.99Å; R292-D295 PolarHBondContact O-N 2.82Å; R292-A298 WeakPolarHBondContact O-CB 3.35Å
293P96.4Very high95.8Very high62 Ų6236 Ų3640%0.40318%0.176SC..THydrogen-bonded Turntrans-58-29.8178.5-28.334.6000114.7G281 A298 R302G281-P293 WeakPolarHBondContact O-CD 3.23Å; P293-A298 WeakPolarHBondContact O-CB 3.49Å; P293-R302 VanDerWaalsContact O-CZ 3.24Å; P293-R302 PolarHBondContact O-NH1 3.19Å; P293-R302 PolarHBondContact O-NH2 3.46Å
294D96.6Very high95.8Very high130 Ų13036.7 Ų36.770%0.69519%0.187SC*.THydrogen-bonded Turntrans-90.3-1.717760-27.9000113.6R292R292-D294 WeakPolarHBondContact CB-OD1 3.43Å; R292-D294 PolarHBondContact O-N 2.99Å
295D97.8Very high95.8Very high14 Ų1439.8 Ų39.88%0.07521%0.207CC..SBendtrans-61.7140.9171.3-170.2-71.4000110.5R236 A291 R292 L297 A298 V299R236-D295 IonicContact CZ-OD1 3.87Å; R236-D295 IonicContact CZ-OD2 3.75Å; R236-D295 IonicContact NE-OD1 3.65Å; R236-D295 PolarHBondContact NE-OD1 3.16Å; R236-D295 IonicContact NE-OD2 3.85Å; R236-D295 PolarHBondContact NE-OD2 3.13Å; R236-D295 IonicContact NH2-OD1 3.53Å; R236-D295 PolarHBondContact NH2-OD1 3.26Å; R236-D295 IonicContact NH2-OD2 2.83Å; R236-D295 PolarHBondContact NH2-OD2 2.95Å; A291-D295 HydrophobicContact CB-CB 3.81Å; R292-D295 HydrophobicContact CB-CB 4.46Å; R292-D295 WeakPolarHBondContact O-CB 2.99Å; R292-D295 PolarHBondContact O-N 2.82Å; D295-L297 PolarHBondContact O-N 3.14Å; D295-L297 VanDerWaalsContact O-N 3.09Å; D295-L297 WeakPolarHBondContact OD1-CB 3.32Å; D295-L297 WeakPolarHBondContact OD1-CG 3.33Å; D295-L297 PolarHBondContact OD1-N 3.43Å; D295-A298 HydrophobicContact CB-CB 4.5Å; D295-A298 WeakPolarHBondContact O-CA 3.48Å; D295-A298 WeakPolarHBondContact O-CB 3.43Å; D295-A298 PolarHBondContact O-N 2.86Å; D295-V299 WeakPolarHBondContact O-CG2 3.39Å; D295-V299 PolarHBondContact O-N 3.15Å
296E97.1Very high95.9Very high58 Ų5839.9 Ų39.927%0.27121%0.208SC..Hα-helixtrans-51.1-32.6177.154.5164.8-150.600114R166 R236 A300 T315R166-E296 IonicContact CZ-OE1 3.9Å; R166-E296 IonicContact CZ-OE2 3.57Å; R166-E296 IonicContact NH1-OE1 2.68Å; R166-E296 PolarHBondContact NH1-OE1 3.46Å; R166-E296 IonicContact NH1-OE2 3.59Å; R166-E296 IonicContact NH2-OE1 3.85Å; R166-E296 PolarHBondContact NH2-OE1 3.05Å; R166-E296 IonicContact NH2-OE2 3.71Å; R166-E296 PolarHBondContact NH2-OE2 3.23Å; R236-E296 IonicContact CZ-OE1 3.57Å; R236-E296 IonicContact NH1-OE1 3.37Å; R236-E296 IonicContact NH2-OE1 2.71Å; R236-E296 PolarHBondContact NH2-OE1 3.27Å; E296-A300 VanDerWaalsContact O-CB 3.22Å; E296-A300 WeakPolarHBondContact O-CB 3.45Å; E296-A300 PolarHBondContact O-N 3.46Å; E296-T315 HydrophobicContact CB-CG2 3.87Å; E296-T315 HydrophobicContact CG-CG2 4.09Å
297L97Very high96Very high4 Ų442.2 Ų42.22%0.02122%0.218CC..Hα-helixtrans-70.7-39.9177.4-59.4-179.5000110.7D295 Q301 L306 T315D295-L297 PolarHBondContact O-N 3.14Å; D295-L297 VanDerWaalsContact O-N 3.09Å; D295-L297 WeakPolarHBondContact OD1-CB 3.32Å; D295-L297 WeakPolarHBondContact OD1-CG 3.33Å; D295-L297 PolarHBondContact OD1-N 3.43Å; L297-Q301 VanDerWaalsContact O-CB 3.3Å; L297-Q301 WeakPolarHBondContact O-CB 3.42Å; L297-Q301 PolarHBondContact O-N 3.31Å; L297-L306 HydrophobicContact CB-CD1 4.12Å; L297-L306 HydrophobicContact CD2-CD1 3.83Å; L297-T315 HydrophobicContact CD2-CG2 4.2Å
298A96.9Very high96.3Very high0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-69.2-39177.200000111.2I285 R292 P293 D295 R302I285-A298 HydrophobicContact CD1-CB 3.76Å; R292-A298 WeakPolarHBondContact O-CB 3.35Å; P293-A298 WeakPolarHBondContact O-CB 3.49Å; D295-A298 HydrophobicContact CB-CB 4.5Å; D295-A298 WeakPolarHBondContact O-CA 3.48Å; D295-A298 WeakPolarHBondContact O-CB 3.43Å; D295-A298 PolarHBondContact O-N 2.86Å; A298-R302 WeakPolarHBondContact O-CG 3.23Å; A298-R302 PolarHBondContact O-N 2.97Å; A298-R302 PolarHBondContact O-NH1 3.12Å
299V97.6Very high96.5Very high47 Ų4743.2 Ų43.229%0.28522%0.221SC..Hα-helixtrans-62-55.4173.4175.70000110.3D295 Q301 R302 E303D295-V299 WeakPolarHBondContact O-CG2 3.39Å; D295-V299 PolarHBondContact O-N 3.15Å; V299-Q301 VanDerWaalsContact C-N 3.26Å; V299-Q301 PolarHBondContact O-N 3.25Å; V299-R302 PolarHBondContact O-N 2.98Å; V299-E303 WeakPolarHBondContact O-CG 3.17Å; V299-E303 PolarHBondContact O-N 2.82Å
300A97.1Very high96.3Very high7 Ų743.8 Ų43.86%0.05822%0.223CC..Hα-helixtrans-57.9-38.2179.900000112.4E296 E303 G304 V305 L306 T315E296-A300 VanDerWaalsContact O-CB 3.22Å; E296-A300 WeakPolarHBondContact O-CB 3.45Å; E296-A300 PolarHBondContact O-N 3.46Å; A300-E303 CarbonylContact O-C 3.43Å; A300-E303 PolarHBondContact O-N 2.98Å; A300-G304 PolarHBondContact O-N 2.91Å; A300-V305 HydrophobicContact CB-CG2 4.18Å; A300-V305 PolarHBondContact O-N 2.96Å; A300-L306 HydrophobicContact CB-CB 4.34Å; A300-L306 HydrophobicContact CB-CD1 4.28Å; A300-L306 PolarHBondContact O-N 2.84Å; A300-T315 HydrophobicContact CB-CG2 4Å
301Q97Very high95.9Very high15 Ų1546.8 Ų46.87%0.0724%0.237CC..Hα-helixtrans-63-44.2175.9179.5169.475.400112.6I285 L297 V299 E303 G304 L306 C379I285-Q301 PolarHBondContact O-NE2 2.92Å; I285-Q301 PolarHBondContact O-OE1 3.46Å; L297-Q301 VanDerWaalsContact O-CB 3.3Å; L297-Q301 WeakPolarHBondContact O-CB 3.42Å; L297-Q301 PolarHBondContact O-N 3.31Å; V299-Q301 VanDerWaalsContact C-N 3.26Å; V299-Q301 PolarHBondContact O-N 3.25Å; Q301-E303 PolarHBondContact O-N 3.39Å; Q301-G304 PolarHBondContact O-N 3.48Å; Q301-G304 VanDerWaalsContact O-N 3.13Å; Q301-L306 HydrophobicContact CB-CB 4.13Å; Q301-L306 HydrophobicContact CB-CD2 4.04Å; Q301-L306 HydrophobicContact CG-CD2 4.49Å; Q301-C379 PolarHBondContact NE2-O 3.37Å
302R95.3Very high95.7Very high111 Ų11146.9 Ų46.942%0.41924%0.238SC..Hα-helixtrans-66.8-30.6178.2-72.8-173.4-60.2-951.3112.3V3 Q283 P293 A298 V299 G304V3-R302 HydrophobicContact CG2-CG 3.66Å; Q283-R302 VanDerWaalsContact OE1-NH1 3.12Å; P293-R302 VanDerWaalsContact O-CZ 3.24Å; P293-R302 PolarHBondContact O-NH1 3.19Å; P293-R302 PolarHBondContact O-NH2 3.46Å; A298-R302 WeakPolarHBondContact O-CG 3.23Å; A298-R302 PolarHBondContact O-N 2.97Å; A298-R302 PolarHBondContact O-NH1 3.12Å; V299-R302 PolarHBondContact O-N 2.98Å; R302-G304 VanDerWaalsContact C-N 3.27Å
303E96.7Very high95.6Very high138 Ų13844.2 Ų44.265%0.64523%0.228SC*.Hα-helixtrans-81.1-6.7175.4-67.4178.3172.400112.9V299 A300 Q301 V305V299-E303 WeakPolarHBondContact O-CG 3.17Å; V299-E303 PolarHBondContact O-N 2.82Å; A300-E303 CarbonylContact O-C 3.43Å; A300-E303 PolarHBondContact O-N 2.98Å; Q301-E303 PolarHBondContact O-N 3.39Å; E303-V305 VanDerWaalsContact C-N 3.34Å; E303-V305 HydrophobicContact CB-CG2 4.02Å
304G95.8Very high95.6Very high33 Ų3341.6 Ų41.634%0.3421%0.211SC..THydrogen-bonded Turntrans7718.7178.100000114.3A300 Q301 R302 N380A300-G304 PolarHBondContact O-N 2.91Å; Q301-G304 PolarHBondContact O-N 3.48Å; Q301-G304 VanDerWaalsContact O-N 3.13Å; R302-G304 VanDerWaalsContact C-N 3.27Å; G304-N380 VanDerWaalsContact C-OD1 3.31Å; G304-N380 PolarHBondContact O-ND2 2.81Å; G304-N380 VanDerWaalsContact O-ND2 3.16Å
305V96.7Very high95.4Very high74 Ų7437.6 Ų37.645%0.44819%0.191SC..  trans-122.920.9-175.8-60.40000112.5A300 E303 H307A300-V305 HydrophobicContact CB-CG2 4.18Å; A300-V305 PolarHBondContact O-N 2.96Å; E303-V305 VanDerWaalsContact C-N 3.34Å; E303-V305 HydrophobicContact CB-CG2 4.02Å; V305-H307 PolarHBondContact O-CE1 3.42Å; V305-H307 PolarHBondContact O-ND1 2.88Å
306L97.5Very high95.2Very high3 Ų339.1 Ų39.12%0.01620%0.198CC..  trans-68.3137.6171.2-176.666.2000109.5I285 L297 A300 Q301 Y313 C379 N380I285-L306 HydrophobicContact CG2-CD2 3.69Å; L297-L306 HydrophobicContact CB-CD1 4.12Å; L297-L306 HydrophobicContact CD2-CD1 3.83Å; A300-L306 HydrophobicContact CB-CB 4.34Å; A300-L306 HydrophobicContact CB-CD1 4.28Å; A300-L306 PolarHBondContact O-N 2.84Å; Q301-L306 HydrophobicContact CB-CB 4.13Å; Q301-L306 HydrophobicContact CB-CD2 4.04Å; Q301-L306 HydrophobicContact CG-CD2 4.49Å; L306-Y313 HydrophobicContact CD2-CD1 3.61Å; L306-Y313 HydrophobicContact CD2-CE1 3.89Å; L306-Y313 HydrophobicContact CD2-CG 4.03Å; L306-Y313 HydrophobicContact CG-CD1 4.02Å; L306-C379 HydrophobicContact CB-CB 3.96Å; L306-C379 HydrophobicContact CD2-CB 4.22Å; L306-C379 HydrophobicContact CG-CB 4.03Å; L306-C379 WeakPolarHBondContact O-CB 3.37Å; L306-N380 PolarHBondContact N-OD1 3.49Å; L306-N380 VanDerWaalsContact N-OD1 3.15Å
307H95.7Very high94.8Very high49 Ų4937.4 Ų37.423%0.22720%0.196CC..EExtended strand (participates in β ladder)trans-118.6171.2179-66.990000111.5V305 Y313 T314 G317V305-H307 PolarHBondContact O-CE1 3.42Å; V305-H307 PolarHBondContact O-ND1 2.88Å; H307-Y313 WeakPolarHBondContact O-CA 3.37Å; H307-T314 CarbonylContact C-O 3.59Å; H307-T314 WeakPolarHBondContact CA-O 3.31Å; H307-T314 HydrophobicContact CB-CG2 4.13Å; H307-T314 WeakPolarHBondContact CB-O 3.09Å; H307-T314 PolarHBondContact N-O 3.38Å; H307-T314 PolarHBondContact O-N 2.84Å; H307-T314 VanDerWaalsContact O-O 3.13Å; H307-G317 VanDerWaalsContact CD2-CA 3.47Å; H307-G317 WeakPolarHBondContact CD2-CA 3.32Å; H307-G317 VanDerWaalsContact CG-CA 3.42Å
308R94.5Very high94.5Very high43 Ų4342.4 Ų42.416%0.16222%0.223CC..EExtended strand (participates in β ladder)trans-145.9140.1178.2-170.8173.7-174.180.54.3111.3G312 Y313R308-G312 WeakPolarHBondContact CA-O 3.27Å; R308-G312 WeakPolarHBondContact CG-O 3.44Å; R308-Y313 HydrophobicContact CB-CD1 4.21Å; R308-Y313 HydrophobicContact CG-CD1 4.38Å
309N92.6Very high94.6Very high12 Ų1243.7 Ų43.76%0.06423%0.231CC..  trans-126.8-170.8170.862.735000110.3Q311 G312 M331N309-Q311 PolarHBondContact O-N 3.18Å; N309-Q311 WeakPolarHBondContact OD1-CA 3.36Å; N309-Q311 WeakPolarHBondContact OD1-CB 3.48Å; N309-Q311 PolarHBondContact OD1-N 3.26Å; N309-G312 PolarHBondContact N-O 2.89Å; N309-G312 PolarHBondContact O-N 3.49Å; N309-G312 PolarHBondContact OD1-N 3.3Å; N309-G312 VanDerWaalsContact OD1-N 3.13Å; N309-G312 PolarHBondContact OD1-O 3.31Å; N309-M331 HydrophobicContact CB-CE 3.41Å; N309-M331 VanDerWaalsContact CB-CE 3.41Å
310F91.7Very high94.6Very high41 Ų4141.5 Ų41.518%0.1822%0.217CC..SBendtrans-62.6-25.4179.7-82.6-82.2000114.5T24 S25 F32 I329 M331 Y336T24-F310 HydrophobicContact CG2-CB 4.32Å; T24-F310 HydrophobicContact CG2-CD1 3.43Å; T24-F310 VanDerWaalsContact CG2-CD1 3.43Å; T24-F310 HydrophobicContact CG2-CE1 4.03Å; T24-F310 HydrophobicContact CG2-CG 4.15Å; S25-F310 VanDerWaalsContact OG-CZ 3.32Å; S25-F310 WeakPolarHBondContact OG-CZ 3.33Å; F32-F310 HydrophobicContact CZ-CZ 4.43Å; F310-I329 HydrophobicContact CD1-CD1 3.97Å; F310-I329 HydrophobicContact CD2-CB 4.33Å; F310-I329 HydrophobicContact CD2-CG2 3.89Å; F310-I329 HydrophobicContact CE1-CD1 3.72Å; F310-I329 HydrophobicContact CE1-CG2 4.26Å; F310-I329 HydrophobicContact CE2-CB 4.32Å; F310-I329 HydrophobicContact CE2-CG2 3.44Å; F310-I329 VanDerWaalsContact CE2-CG2 3.44Å; F310-I329 HydrophobicContact CG-CG2 4.48Å; F310-I329 HydrophobicContact CZ-CD1 4.15Å; F310-I329 HydrophobicContact CZ-CG2 3.66Å; F310-M331 HydrophobicContact CD2-CE 4.03Å; F310-M331 HydrophobicContact CD2-CG 3.57Å; F310-M331 HydrophobicContact CD2-SD 3.4Å; F310-M331 WeakPolarHBondContact CD2-SD 3.17Å; F310-M331 HydrophobicContact CE2-CG 3.4Å; F310-M331 VanDerWaalsContact CE2-CG 3.4Å; F310-M331 HydrophobicContact CE2-SD 3.44Å; F310-M331 WeakPolarHBondContact CE2-SD 3.23Å; F310-Y336 HydrophobicContact CE2-CD1 4.46Å
311Q89.7Confident94.7Very high68 Ų6841.6 Ų41.632%0.31822%0.217SC..SBendtrans-83.6-30179.5-141.265.931.300112.5Y56 H109 E145 N309Y56-Q311 VanDerWaalsContact CD2-OE1 3.24Å; H109-Q311 VanDerWaalsContact CD2-CG 3.44Å; H109-Q311 WeakPolarHBondContact CD2-CG 3.23Å; H109-Q311 PolarHBondContact CD2-NE2 2.7Å; H109-Q311 VanDerWaalsContact CD2-NE2 3.34Å; H109-Q311 WeakPolarHBondContact NE2-CG 3.37Å; H109-Q311 PolarHBondContact NE2-NE2 3.43Å; H109-Q311 VanDerWaalsContact NE2-NE2 3.1Å; E145-Q311 PolarHBondContact OE1-NE2 2.94Å; N309-Q311 PolarHBondContact O-N 3.18Å; N309-Q311 WeakPolarHBondContact OD1-CA 3.36Å; N309-Q311 WeakPolarHBondContact OD1-CB 3.48Å; N309-Q311 PolarHBondContact OD1-N 3.26Å
312G92.7Very high94.7Very high3 Ų341 Ų413%0.03121%0.214CC..  trans152.2-157.7-179.300000113.4R308 N309R308-G312 WeakPolarHBondContact CA-O 3.27Å; R308-G312 WeakPolarHBondContact CG-O 3.44Å; N309-G312 PolarHBondContact N-O 2.89Å; N309-G312 PolarHBondContact O-N 3.49Å; N309-G312 PolarHBondContact OD1-N 3.3Å; N309-G312 VanDerWaalsContact OD1-N 3.13Å; N309-G312 PolarHBondContact OD1-O 3.31Å
313Y95.1Very high94.9Very high17 Ų1735.7 Ų35.77%0.06720%0.195CC..EExtended strand (participates in β ladder)trans-70.4142.9173.9-70.2-60000110.8I285 G286 M287 H289 L306 H307 R308 I378 C379I285-Y313 HydrophobicContact CG2-CD2 3.91Å; I285-Y313 HydrophobicContact CG2-CE2 3.9Å; I285-Y313 HydrophobicContact CG2-CG 4.41Å; G286-Y313 WeakPolarHBondContact O-CE2 3.29Å; M287-Y313 HydrophobicContact CE-CE1 4.19Å; M287-Y313 HydrophobicContact CE-CE2 4.02Å; M287-Y313 WeakPolarHBondContact CE-OH 3.45Å; H289-Y313 HydrophobicContact CB-CD2 3.94Å; H289-Y313 HydrophobicContact CB-CE2 4.1Å; H289-Y313 AromaticContact CD2-CD2 3.86Å; H289-Y313 AromaticContact CG-CD2 3.96Å; L306-Y313 HydrophobicContact CD2-CD1 3.61Å; L306-Y313 HydrophobicContact CD2-CE1 3.89Å; L306-Y313 HydrophobicContact CD2-CG 4.03Å; L306-Y313 HydrophobicContact CG-CD1 4.02Å; H307-Y313 WeakPolarHBondContact O-CA 3.37Å; R308-Y313 HydrophobicContact CB-CD1 4.21Å; R308-Y313 HydrophobicContact CG-CD1 4.38Å; Y313-I378 HydrophobicContact CE1-CG2 4.17Å; Y313-I378 PolarHBondContact OH-O 3.49Å; Y313-C379 HydrophobicContact CE1-CB 4.3Å
314T95.6Very high95Very high6 Ų629.1 Ų29.14%0.03716%0.164CC..EExtended strand (participates in β ladder)trans-149.1156.2178.9179.10000109.9Q107 H307 Q316Q107-T314 PolarHBondContact OE1-OG1 2.95Å; H307-T314 CarbonylContact C-O 3.59Å; H307-T314 WeakPolarHBondContact CA-O 3.31Å; H307-T314 HydrophobicContact CB-CG2 4.13Å; H307-T314 WeakPolarHBondContact CB-O 3.09Å; H307-T314 PolarHBondContact N-O 3.38Å; H307-T314 PolarHBondContact O-N 2.84Å; H307-T314 VanDerWaalsContact O-O 3.13Å; T314-Q316 PolarHBondContact OG1-N 2.94Å; T314-Q316 VanDerWaalsContact OG1-N 3.08Å
315T93.7Very high95.2Very high47 Ų4727.6 Ų27.629%0.28815%0.148SC..SBendtrans-82.3-16.6169.353.90000112.4E296 L297 A300 G317E296-T315 HydrophobicContact CB-CG2 3.87Å; E296-T315 HydrophobicContact CG-CG2 4.09Å; L297-T315 HydrophobicContact CD2-CG2 4.2Å; A300-T315 HydrophobicContact CB-CG2 4Å; T315-G317 PolarHBondContact O-N 3.2Å
316Q92.8Very high95.3Very high45 Ų4524 Ų2421%0.2113%0.126CC..  trans-88.985.9-174.1-56.5-165.234.100112.2S106 T314 T319S106-Q316 PolarHBondContact O-NE2 2.97Å; S106-Q316 VanDerWaalsContact O-NE2 3.16Å; S106-Q316 PolarHBondContact OG-OE1 2.99Å; T314-Q316 PolarHBondContact OG1-N 2.94Å; T314-Q316 VanDerWaalsContact OG1-N 3.08Å; Q316-T319 HydrophobicContact CB-CG2 4.06Å
317G89.1Confident95.3Very high23 Ų2324.5 Ų24.524%0.23713%0.13CC..  trans-71.7167.1168.200000113.4H307 T315 T319H307-G317 VanDerWaalsContact CD2-CA 3.47Å; H307-G317 WeakPolarHBondContact CD2-CA 3.32Å; H307-G317 VanDerWaalsContact CG-CA 3.42Å; T315-G317 PolarHBondContact O-N 3.2Å; G317-T319 WeakPolarHBondContact O-CG2 3.2Å; G317-T319 PolarHBondContact O-N 2.66Å
318D91.9Very high95.5Very high108 Ų10822.2 Ų22.258%0.57812%0.12SC*.SBendtrans46.538.7175.1-63.2-19.2000115.4R51R51-D318 WeakPolarHBondContact CB-O 3.09Å; R51-D318 VanDerWaalsContact CD-O 3.32Å; R51-D318 WeakPolarHBondContact CD-O 3.41Å; R51-D318 WeakPolarHBondContact CG-O 3.25Å
319T97Very high95.7Very high27 Ų2721.5 Ų21.517%0.16612%0.118CC..  trans-99.9142.717157.10000110.5P52 Q316 G317P52-T319 HydrophobicContact CB-CG2 3.97Å; P52-T319 WeakPolarHBondContact O-CA 3.26Å; P52-T319 WeakPolarHBondContact O-CB 3.34Å; Q316-T319 HydrophobicContact CB-CG2 4.06Å; G317-T319 WeakPolarHBondContact O-CG2 3.2Å; G317-T319 PolarHBondContact O-N 2.66Å
320D98.4Very high95.9Very high1 Ų121.1 Ų21.11%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-81136.1162.3-73.9-33.6000108.1R51 P52 L53 S54 R103 M331 I332 G333R51-D320 IonicContact NH1-OD1 3.12Å; P52-D320 PolarHBondContact O-N 2.87Å; L53-D320 HydrophobicContact CD1-CB 4.25Å; S54-D320 PolarHBondContact N-O 2.86Å; R103-D320 IonicContact NH2-OD2 2.63Å; R103-D320 PolarHBondContact NH2-OD2 3.26Å; D320-M331 CarbonylContact C-O 3.47Å; D320-M331 WeakPolarHBondContact CA-O 3.49Å; D320-I332 HydrophobicContact CB-CB 4.46Å; D320-I332 HydrophobicContact CB-CG1 4.24Å; D320-I332 HydrophobicContact CB-CG2 4.2Å; D320-I332 WeakPolarHBondContact OD1-CA 3.43Å; D320-G333 PolarHBondContact OD1-N 3.06Å
321L98.6Very high96.3Very high9 Ų920.9 Ų20.95%0.04712%0.117CC..EExtended strand (participates in β ladder)trans-107.6115.2176.717979.3000109.4S54 S330 M331 I332S54-L321 CarbonylContact O-C 3.25Å; S54-L321 VanDerWaalsContact O-CA 3.32Å; S54-L321 WeakPolarHBondContact O-CA 3.22Å; S54-L321 VanDerWaalsContact OG-CD1 3.3Å; S54-L321 WeakPolarHBondContact OG-CD1 3.36Å; L321-S330 CarbonylContact O-C 3.58Å; L321-S330 WeakPolarHBondContact O-CA 3.33Å; L321-S330 VanDerWaalsContact O-CB 3.27Å; L321-S330 WeakPolarHBondContact O-CB 3.19Å; L321-M331 HydrophobicContact CB-CB 4.11Å; L321-M331 HydrophobicContact CB-CE 4.11Å; L321-M331 HydrophobicContact CD2-CE 3.79Å; L321-M331 HydrophobicContact CD2-CG 4.33Å; L321-M331 PolarHBondContact N-O 3.47Å; L321-M331 PolarHBondContact O-N 3.27Å; L321-I332 VanDerWaalsContact O-CG1 3.3Å; L321-I332 WeakPolarHBondContact O-CG1 3.41Å
322L98.8Very high96.7Very high2 Ų217.8 Ų17.81%0.0110%0.103CC..EExtended strand (participates in β ladder)trans-94.2115.2167.7177.866.7000109.8F41 L53 S54 L55 Y56 R96 F100 F134 M324 I332F41-L322 HydrophobicContact CZ-CD1 4.06Å; L53-L322 HydrophobicContact CD1-CB 4.28Å; S54-L322 PolarHBondContact O-N 3.36Å; L55-L322 HydrophobicContact CD2-CB 3.92Å; L55-L322 HydrophobicContact CD2-CD2 4.13Å; L55-L322 HydrophobicContact CD2-CG 4.48Å; Y56-L322 PolarHBondContact N-O 3.37Å; R96-L322 HydrophobicContact CB-CD2 4.5Å; F100-L322 HydrophobicContact CD2-CD2 3.98Å; F100-L322 HydrophobicContact CE2-CD1 4.03Å; F100-L322 HydrophobicContact CE2-CD2 3.65Å; F100-L322 HydrophobicContact CE2-CG 4.34Å; F100-L322 HydrophobicContact CZ-CB 4.43Å; F100-L322 HydrophobicContact CZ-CD1 4.02Å; F100-L322 HydrophobicContact CZ-CD2 4.17Å; F100-L322 HydrophobicContact CZ-CG 4.44Å; F134-L322 HydrophobicContact CE1-CD2 3.96Å; F134-L322 HydrophobicContact CZ-CD2 3.76Å; L322-M324 HydrophobicContact CD2-CE 4.26Å; L322-M324 HydrophobicContact CD2-CG 4.33Å; L322-M324 HydrophobicContact CD2-SD 4.09Å; L322-M324 HydrophobicContact CG-CE 4.49Å; L322-M324 HydrophobicContact CG-CG 4.19Å; L322-I332 HydrophobicContact CB-CD1 4.35Å; L322-I332 HydrophobicContact CD1-CD1 4.15Å
323G98.8Very high97Very high1 Ų117.7 Ų17.71%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-93.4127.3171.700000111.4Y56 S330Y56-G323 CarbonylContact O-C 3.57Å; Y56-G323 WeakPolarHBondContact O-CA 3.47Å; G323-S330 PolarHBondContact N-OG 3.46Å
324M98.9Very high97.1Very high0 Ų017.9 Ų17.90%010%0.104CC..EExtended strand (participates in β ladder)trans-120.9151.3177.3-67.5168-75.200111L55 Y56 V57 H58 L89 I93 L130 F134 L322 A328L55-M324 HydrophobicContact CB-CE 4.25Å; L55-M324 HydrophobicContact CD1-CE 4.32Å; L55-M324 HydrophobicContact CD2-CE 4.01Å; L55-M324 HydrophobicContact CG-CE 4.43Å; Y56-M324 PolarHBondContact O-N 3.49Å; V57-M324 WeakPolarHBondContact CA-O 3.29Å; V57-M324 HydrophobicContact CG2-CE 4.16Å; H58-M324 PolarHBondContact N-O 2.67Å; L89-M324 HydrophobicContact CD2-CB 4.17Å; I93-M324 HydrophobicContact CG1-SD 3.65Å; L130-M324 HydrophobicContact CD2-CE 3.89Å; F134-M324 HydrophobicContact CE2-CE 4.22Å; F134-M324 HydrophobicContact CE2-SD 4.19Å; F134-M324 HydrophobicContact CZ-CE 4.32Å; F134-M324 HydrophobicContact CZ-SD 4.16Å; L322-M324 HydrophobicContact CD2-CE 4.26Å; L322-M324 HydrophobicContact CD2-CG 4.33Å; L322-M324 HydrophobicContact CD2-SD 4.09Å; L322-M324 HydrophobicContact CG-CE 4.49Å; L322-M324 HydrophobicContact CG-CG 4.19Å; M324-A328 VanDerWaalsContact O-CB 3.24Å; M324-A328 WeakPolarHBondContact O-CB 3.44Å
325G98.9Very high97.3Very high0 Ų017.9 Ų17.90%010%0.104CC..SBendtrans91.7172.4-175.700000113.9Y85 E92 S327 A328 N339 Y346Y85-G325 WeakPolarHBondContact OH-CA 3.24Å; E92-G325 PolarHBondContact OE2-N 2.88Å; G325-S327 PolarHBondContact O-N 3.39Å; G325-A328 VanDerWaalsContact O-CB 3.27Å; G325-A328 WeakPolarHBondContact O-CB 3.34Å; G325-A328 PolarHBondContact O-N 3.36Å; G325-N339 VanDerWaalsContact O-CB 3.32Å; G325-N339 WeakPolarHBondContact O-CB 3.49Å; G325-N339 PolarHBondContact O-ND2 2.82Å; G325-Y346 VanDerWaalsContact C-CE2 3.42Å
326V98.8Very high97.5Very high0 Ų016 Ų160%09%0.092CC..THydrogen-bonded Turntrans-56.5133.1-177.468.60000110.7H58 P60 Y85 A328 Q340 L343 Y346H58-V326 WeakPolarHBondContact CB-O 3.36Å; H58-V326 PolarHBondContact CD2-O 3.02Å; P60-V326 HydrophobicContact CB-CG1 3.71Å; P60-V326 HydrophobicContact CG-CG1 3.71Å; Y85-V326 HydrophobicContact CE2-CB 4.34Å; Y85-V326 HydrophobicContact CE2-CG1 4.17Å; Y85-V326 PolarHBondContact OH-N 3.12Å; V326-A328 PolarHBondContact O-N 3.01Å; V326-Q340 VanDerWaalsContact CG2-O 3.22Å; V326-Q340 WeakPolarHBondContact CG2-O 3.47Å; V326-L343 HydrophobicContact CB-CD1 4.17Å; V326-L343 HydrophobicContact CG1-CD1 4.26Å; V326-L343 HydrophobicContact CG2-CB 4.48Å; V326-L343 HydrophobicContact CG2-CD1 4.45Å; V326-Y346 HydrophobicContact CB-CD1 4.44Å; V326-Y346 HydrophobicContact CB-CD2 4.27Å; V326-Y346 HydrophobicContact CB-CG 4.05Å; V326-Y346 HydrophobicContact CG2-CG 4.44Å
327S98.4Very high97.8Very high12 Ų1214.1 Ų14.18%0.0848%0.083CC..THydrogen-bonded Turntrans64-3.7-179.481.80000117.9N72 G325 Q338 Q340N72-S327 WeakPolarHBondContact CB-OG 3.24Å; N72-S327 VanDerWaalsContact ND2-CB 3.29Å; N72-S327 WeakPolarHBondContact ND2-CB 3.3Å; G325-S327 PolarHBondContact O-N 3.39Å; S327-Q338 PolarHBondContact O-NE2 2.66Å; S327-Q340 PolarHBondContact N-O 3.44Å
328A98.6Very high98.3Very high2 Ų214 Ų142%0.0178%0.077CC..  trans-56.6142.9-178.300000111.8Y56 H58 M324 G325 V326 Q338 N339Y56-A328 HydrophobicContact CD1-CB 3.92Å; Y56-A328 HydrophobicContact CE1-CB 4.01Å; H58-A328 HydrophobicContact CB-CB 4.27Å; M324-A328 VanDerWaalsContact O-CB 3.24Å; M324-A328 WeakPolarHBondContact O-CB 3.44Å; G325-A328 VanDerWaalsContact O-CB 3.27Å; G325-A328 WeakPolarHBondContact O-CB 3.34Å; G325-A328 PolarHBondContact O-N 3.36Å; V326-A328 PolarHBondContact O-N 3.01Å; A328-Q338 WeakPolarHBondContact O-CA 3.25Å; A328-N339 PolarHBondContact O-N 3.49Å
329I98.6Very high98.6Very high27 Ų279.4 Ų9.414%0.1385%0.052CC..EExtended strand (participates in β ladder)trans-114.2129.8-179.7-58173000108.6F32 F310 A337 Q338F32-I329 HydrophobicContact CE2-CD1 4.39Å; F32-I329 HydrophobicContact CE2-CG2 4.26Å; F32-I329 HydrophobicContact CZ-CG2 4.39Å; F310-I329 HydrophobicContact CD1-CD1 3.97Å; F310-I329 HydrophobicContact CD2-CB 4.33Å; F310-I329 HydrophobicContact CD2-CG2 3.89Å; F310-I329 HydrophobicContact CE1-CD1 3.72Å; F310-I329 HydrophobicContact CE1-CG2 4.26Å; F310-I329 HydrophobicContact CE2-CB 4.32Å; F310-I329 HydrophobicContact CE2-CG2 3.44Å; F310-I329 VanDerWaalsContact CE2-CG2 3.44Å; F310-I329 HydrophobicContact CG-CG2 4.48Å; F310-I329 HydrophobicContact CZ-CD1 4.15Å; F310-I329 HydrophobicContact CZ-CG2 3.66Å; I329-A337 CarbonylContact C-O 3.39Å; I329-A337 WeakPolarHBondContact CA-O 3.4Å; I329-Q338 HydrophobicContact CG1-CB 4.11Å; I329-Q338 HydrophobicContact CG1-CG 3.9Å
330S98.8Very high98.7Very high5 Ų59.6 Ų9.64%0.0355%0.051CC..EExtended strand (participates in β ladder)trans-97.8145.3170.6-59.10000110.7L321 G323 Y336 A337L321-S330 CarbonylContact O-C 3.58Å; L321-S330 WeakPolarHBondContact O-CA 3.33Å; L321-S330 VanDerWaalsContact O-CB 3.27Å; L321-S330 WeakPolarHBondContact O-CB 3.19Å; G323-S330 PolarHBondContact N-OG 3.46Å; S330-Y336 WeakPolarHBondContact O-CA 3.4Å; S330-A337 PolarHBondContact N-O 3.38Å; S330-A337 PolarHBondContact O-N 3.46Å
331M98.6Very high98.7Very high35 Ų3514.6 Ų14.617%0.1727%0.073CC..EExtended strand (participates in β ladder)trans-125.497.7169-57.4-172-68.200108.3N309 F310 D320 L321 C335 Y336N309-M331 HydrophobicContact CB-CE 3.41Å; N309-M331 VanDerWaalsContact CB-CE 3.41Å; F310-M331 HydrophobicContact CD2-CE 4.03Å; F310-M331 HydrophobicContact CD2-CG 3.57Å; F310-M331 HydrophobicContact CD2-SD 3.4Å; F310-M331 WeakPolarHBondContact CD2-SD 3.17Å; F310-M331 HydrophobicContact CE2-CG 3.4Å; F310-M331 VanDerWaalsContact CE2-CG 3.4Å; F310-M331 HydrophobicContact CE2-SD 3.44Å; F310-M331 WeakPolarHBondContact CE2-SD 3.23Å; D320-M331 CarbonylContact C-O 3.47Å; D320-M331 WeakPolarHBondContact CA-O 3.49Å; L321-M331 HydrophobicContact CB-CB 4.11Å; L321-M331 HydrophobicContact CB-CE 4.11Å; L321-M331 HydrophobicContact CD2-CE 3.79Å; L321-M331 HydrophobicContact CD2-CG 4.33Å; L321-M331 PolarHBondContact N-O 3.47Å; L321-M331 PolarHBondContact O-N 3.27Å; M331-C335 WeakPolarHBondContact CA-O 3.31Å; M331-Y336 HydrophobicContact CB-CD1 3.95Å; M331-Y336 HydrophobicContact CB-CE1 4.05Å; M331-Y336 HydrophobicContact CG-CD1 3.59Å; M331-Y336 HydrophobicContact CG-CE1 3.69Å; M331-Y336 HydrophobicContact SD-CD1 4.33Å; M331-Y336 HydrophobicContact SD-CE1 3.86Å
332I98.7Very high98.6Very high4 Ų420.1 Ų20.12%0.02110%0.098CC..EExtended strand (participates in β ladder)trans-135.1130-170.1-57-179.2000107.7F41 A44 V45 F100 D320 L321 L322 D334 C335F41-I332 HydrophobicContact CE2-CD1 4.1Å; F41-I332 HydrophobicContact CZ-CD1 4.02Å; A44-I332 HydrophobicContact CB-CG2 4.43Å; A44-I332 WeakPolarHBondContact CB-O 3.44Å; V45-I332 HydrophobicContact CB-CG2 4.49Å; V45-I332 HydrophobicContact CG2-CD1 4.41Å; V45-I332 HydrophobicContact CG2-CG2 4.1Å; F100-I332 HydrophobicContact CE1-CD1 4.01Å; F100-I332 HydrophobicContact CZ-CD1 3.73Å; D320-I332 HydrophobicContact CB-CB 4.46Å; D320-I332 HydrophobicContact CB-CG1 4.24Å; D320-I332 HydrophobicContact CB-CG2 4.2Å; D320-I332 WeakPolarHBondContact OD1-CA 3.43Å; L321-I332 VanDerWaalsContact O-CG1 3.3Å; L321-I332 WeakPolarHBondContact O-CG1 3.41Å; L322-I332 HydrophobicContact CB-CD1 4.35Å; L322-I332 HydrophobicContact CD1-CD1 4.15Å; I332-D334 PolarHBondContact O-N 3.04Å; I332-C335 PolarHBondContact N-O 3.34Å; I332-C335 WeakPolarHBondContact O-CA 3.44Å; I332-C335 WeakPolarHBondContact O-CB 3.35Å; I332-C335 PolarHBondContact O-N 2.82Å
333G98.3Very high98.6Very high1 Ų121.2 Ų21.21%0.0110%0.104CC..THydrogen-bonded Turntrans51.449.1170.600000114.1R47 D320 C335R47-G333 WeakPolarHBondContact CD-O 3.49Å; R47-G333 PolarHBondContact NH1-O 3.48Å; D320-G333 PolarHBondContact OD1-N 3.06Å; G333-C335 PolarHBondContact O-N 3.46Å; G333-C335 VanDerWaalsContact O-N 3.15Å
334D98.3Very high98.6Very high21 Ų2128.7 Ų28.711%0.11214%0.136CC..THydrogen-bonded Turntrans56.528.4-176.9-54.8-48.4000114.6Y48 I332 L363 R371Y48-D334 WeakPolarHBondContact CE2-OD2 3.4Å; Y48-D334 PolarHBondContact OH-OD2 3.21Å; I332-D334 PolarHBondContact O-N 3.04Å; D334-L363 VanDerWaalsContact O-CB 3.27Å; D334-L363 WeakPolarHBondContact O-CB 3.42Å; D334-L363 WeakPolarHBondContact O-CD1 3.35Å; D334-L363 PolarHBondContact O-N 3.5Å; D334-R371 IonicContact OD1-CZ 2.7Å; D334-R371 IonicContact OD1-NH1 3.47Å; D334-R371 PolarHBondContact OD1-NH1 3.49Å; D334-R371 IonicContact OD1-NH2 3.12Å; D334-R371 PolarHBondContact OD1-NH2 3.35Å
335C98.8Very high98.6Very high5 Ų532.7 Ų32.73%0.03416%0.155CC..EExtended strand (participates in β ladder)trans-124.1151.4169.5-610000109.7F36 A44 M331 I332 G333 I361F36-C335 HydrophobicContact CE2-CB 3.98Å; F36-C335 HydrophobicContact CZ-CB 3.85Å; A44-C335 HydrophobicContact CB-CB 3.78Å; M331-C335 WeakPolarHBondContact CA-O 3.31Å; I332-C335 PolarHBondContact N-O 3.34Å; I332-C335 WeakPolarHBondContact O-CA 3.44Å; I332-C335 WeakPolarHBondContact O-CB 3.35Å; I332-C335 PolarHBondContact O-N 2.82Å; G333-C335 PolarHBondContact O-N 3.46Å; G333-C335 VanDerWaalsContact O-N 3.15Å; C335-I361 CarbonylContact C-O 3.42Å; C335-I361 VanDerWaalsContact CA-O 3.23Å; C335-I361 WeakPolarHBondContact CA-O 3.24Å; C335-I361 WeakPolarHBondContact CB-O 3.5Å
336Y98.7Very high98.6Very high9 Ų932.7 Ų32.74%0.03516%0.155CC..EExtended strand (participates in β ladder)trans-111.8137.3163.4-53.6-39.8000109.3Y26 F32 F310 S330 M331 G360 I361 L363 R371Y26-Y336 WeakPolarHBondContact O-CE2 3.35Å; Y26-Y336 PolarHBondContact O-OH 3.02Å; F32-Y336 AromaticContact CE1-CD2 3.8Å; F32-Y336 HydrophobicContact CE1-CD2 3.8Å; F32-Y336 HydrophobicContact CE1-CG 4.16Å; F32-Y336 VanDerWaalsContact CZ-CB 3.5Å; F32-Y336 HydrophobicContact CZ-CD2 4.16Å; F32-Y336 HydrophobicContact CZ-CG 4.17Å; F310-Y336 HydrophobicContact CE2-CD1 4.46Å; S330-Y336 WeakPolarHBondContact O-CA 3.4Å; M331-Y336 HydrophobicContact CB-CD1 3.95Å; M331-Y336 HydrophobicContact CB-CE1 4.05Å; M331-Y336 HydrophobicContact CG-CD1 3.59Å; M331-Y336 HydrophobicContact CG-CE1 3.69Å; M331-Y336 HydrophobicContact SD-CD1 4.33Å; M331-Y336 HydrophobicContact SD-CE1 3.86Å; Y336-G360 CarbonylContact O-C 3.58Å; Y336-G360 WeakPolarHBondContact O-CA 3.27Å; Y336-I361 HydrophobicContact CD2-CG2 3.93Å; Y336-I361 HydrophobicContact CG-CG2 4.37Å; Y336-I361 PolarHBondContact N-O 2.85Å; Y336-I361 PolarHBondContact O-N 2.98Å; Y336-L363 HydrophobicContact CD2-CD1 3.87Å; Y336-L363 HydrophobicContact CE2-CD1 3.9Å; Y336-L363 HydrophobicContact CE2-CD2 4.2Å; Y336-L363 HydrophobicContact CG-CD1 4.28Å; Y336-R371 VanDerWaalsContact OH-CD 3.23Å; Y336-R371 WeakPolarHBondContact OH-CD 3.27Å
337A98.8Very high98.6Very high5 Ų535.5 Ų35.54%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-137.8137.5179.200000109.4F36 F41 I329 S330 L357F36-A337 HydrophobicContact CD1-CB 4.46Å; F36-A337 HydrophobicContact CE1-CB 3.94Å; F41-A337 HydrophobicContact CD2-CB 3.83Å; F41-A337 HydrophobicContact CE2-CB 4.15Å; I329-A337 CarbonylContact C-O 3.39Å; I329-A337 WeakPolarHBondContact CA-O 3.4Å; S330-A337 PolarHBondContact N-O 3.38Å; S330-A337 PolarHBondContact O-N 3.46Å; A337-L357 HydrophobicContact CB-CD1 3.73Å
338Q98.9Very high98.6Very high21 Ų2139.1 Ų39.110%0.09818%0.182CC..EExtended strand (participates in β ladder)trans-123.4134.3-177.1-179.2167.242.300110.4F32 S327 A328 I329 W358 R359F32-Q338 HydrophobicContact CD2-CB 4Å; F32-Q338 HydrophobicContact CE2-CB 4.06Å; S327-Q338 PolarHBondContact O-NE2 2.66Å; A328-Q338 WeakPolarHBondContact O-CA 3.25Å; I329-Q338 HydrophobicContact CG1-CB 4.11Å; I329-Q338 HydrophobicContact CG1-CG 3.9Å; Q338-W358 PolarHBondContact O-N 3.13Å; Q338-R359 HydrophobicContact CB-CG 4.26Å; Q338-R359 PolarHBondContact N-O 3.1Å; Q338-R359 PolarHBondContact O-N 3.35Å
339N98.9Very high98.6Very high11 Ų1140.1 Ų40.16%0.05919%0.186CC..EExtended strand (participates in β ladder)trans-70.8157.6171-81.6-8.5000112.1E92 G325 A328 K341 A356E92-N339 PolarHBondContact OE1-ND2 2.83Å; G325-N339 VanDerWaalsContact O-CB 3.32Å; G325-N339 WeakPolarHBondContact O-CB 3.49Å; G325-N339 PolarHBondContact O-ND2 2.82Å; A328-N339 PolarHBondContact O-N 3.49Å; N339-K341 PolarHBondContact O-N 3.37Å; N339-A356 CarbonylContact C-O 3.58Å; N339-A356 WeakPolarHBondContact CA-O 3.46Å; N339-A356 HydrophobicContact CB-CB 4.08Å
340Q98.8Very high98.6Very high30 Ų3039 Ų3914%0.1418%0.181CC..  trans-43.2127.4171.8-71.8-64.4-8.400111.3V326 S327 Q345 A356 W358V326-Q340 VanDerWaalsContact CG2-O 3.22Å; V326-Q340 WeakPolarHBondContact CG2-O 3.47Å; S327-Q340 PolarHBondContact N-O 3.44Å; Q340-Q345 HydrophobicContact CB-CB 4.25Å; Q340-Q345 HydrophobicContact CG-CB 4.11Å; Q340-A356 HydrophobicContact CB-CB 4.4Å; Q340-A356 HydrophobicContact CG-CB 4.4Å; Q340-A356 PolarHBondContact N-O 2.94Å; Q340-W358 HydrophobicContact CG-CB 4.13Å
341K97.8Very high98.6Very high107 Ų10745.8 Ų45.847%0.46522%0.216SC..SBendtrans-84.2-17.5-175.767.2176-70.1-175.70113.9N72 N339 W358N72-K341 PolarHBondContact ND2-O 2.97Å; N339-K341 PolarHBondContact O-N 3.37Å; K341-W358 HydrophobicContact CB-CE3 4.39Å; K341-W358 HydrophobicContact CB-CZ3 3.99Å; K341-W358 HydrophobicContact CD-CH2 3.58Å; K341-W358 HydrophobicContact CD-CZ3 3.53Å; K341-W358 HydrophobicContact CG-CE3 4.25Å; K341-W358 HydrophobicContact CG-CH2 4.04Å; K341-W358 HydrophobicContact CG-CZ3 3.65Å
342E98.2Very high98.6Very high124 Ų12449.8 Ų49.858%0.57923%0.234SC*.SBendtrans-102.9128.1177.7-66.5-169-159.200109.9K344 Q345 Y346E342-K344 PolarHBondContact O-N 3.41Å; E342-Q345 HydrophobicContact CB-CG 4.33Å; E342-Q345 PolarHBondContact O-N 2.94Å; E342-Q345 VanDerWaalsContact O-N 3.1Å; E342-Y346 PolarHBondContact O-N 3.49Å
343L98.4Very high98.6Very high25 Ų2554.7 Ų54.713%0.13126%0.257CS..Hα-helixtrans-59.7-34.4-172.7-173.766.4000113.4F61 I74 Y85 V326 Y346 Y347F61-L343 HydrophobicContact CE1-CD2 4.11Å; F61-L343 HydrophobicContact CZ-CD2 4.23Å; I74-L343 HydrophobicContact CD1-CB 3.6Å; I74-L343 HydrophobicContact CD1-CD2 3.43Å; I74-L343 VanDerWaalsContact CD1-CD2 3.43Å; I74-L343 HydrophobicContact CD1-CG 4.03Å; Y85-L343 HydrophobicContact CD2-CD1 3.66Å; Y85-L343 HydrophobicContact CE2-CD1 3.67Å; V326-L343 HydrophobicContact CB-CD1 4.17Å; V326-L343 HydrophobicContact CG1-CD1 4.26Å; V326-L343 HydrophobicContact CG2-CB 4.48Å; V326-L343 HydrophobicContact CG2-CD1 4.45Å; L343-Y346 HydrophobicContact CD1-CD1 4.14Å; L343-Y346 PolarHBondContact O-N 3.08Å; L343-Y347 HydrophobicContact CD1-CD1 4.48Å; L343-Y347 HydrophobicContact CD1-CD2 4.48Å; L343-Y347 HydrophobicContact CD1-CE1 3.93Å; L343-Y347 HydrophobicContact CD1-CE2 3.93Å; L343-Y347 HydrophobicContact CD2-CE2 3.71Å; L343-Y347 HydrophobicContact CG-CD2 4.02Å; L343-Y347 HydrophobicContact CG-CE1 4.42Å; L343-Y347 HydrophobicContact CG-CE2 3.5Å; L343-Y347 VanDerWaalsContact CG-CE2 3.5Å; L343-Y347 WeakPolarHBondContact O-CD2 3.49Å; L343-Y347 PolarHBondContact O-N 3.49Å
344K98.6Very high98.6Very high159 Ų15954.8 Ų54.869%0.69126%0.258SS*.Hα-helixtrans-63.6-46.3177.5-176.2-178.8175.2-1740111.7E342 Y347 Q348E342-K344 PolarHBondContact O-N 3.41Å; K344-Y347 PolarHBondContact O-N 3.33Å; K344-Q348 PolarHBondContact O-N 2.89Å
345Q98.6Very high98.7Very high84 Ų8454.4 Ų54.439%0.39326%0.256SS..Hα-helixtrans-70.7-35.9178.8-58.6-643700111.5Q340 E342 Q348 Q349Q340-Q345 HydrophobicContact CB-CB 4.25Å; Q340-Q345 HydrophobicContact CG-CB 4.11Å; E342-Q345 HydrophobicContact CB-CG 4.33Å; E342-Q345 PolarHBondContact O-N 2.94Å; E342-Q345 VanDerWaalsContact O-N 3.1Å; Q345-Q348 PolarHBondContact O-N 3.45Å; Q345-Q349 WeakPolarHBondContact O-CB 3.27Å; Q345-Q349 PolarHBondContact O-N 3.08Å
346Y98.9Very high98.7Very high0 Ų054.1 Ų54.10%025%0.254CS..Hα-helixtrans-56.2-52.4171.3172.4-94.2000111.2Y85 A88 E92 G325 V326 E342 L343 Q348 Q349 V350 A356Y85-Y346 HydrophobicContact CD2-CE1 4.19Å; Y85-Y346 HydrophobicContact CE2-CD1 4.11Å; Y85-Y346 AromaticContact CE2-CE1 3.68Å; Y85-Y346 HydrophobicContact CE2-CE1 3.68Å; A88-Y346 HydrophobicContact CB-CE1 3.91Å; E92-Y346 WeakPolarHBondContact OE2-CE2 3.34Å; E92-Y346 PolarHBondContact OE2-OH 2.96Å; G325-Y346 VanDerWaalsContact C-CE2 3.42Å; V326-Y346 HydrophobicContact CB-CD1 4.44Å; V326-Y346 HydrophobicContact CB-CD2 4.27Å; V326-Y346 HydrophobicContact CB-CG 4.05Å; V326-Y346 HydrophobicContact CG2-CG 4.44Å; E342-Y346 PolarHBondContact O-N 3.49Å; L343-Y346 HydrophobicContact CD1-CD1 4.14Å; L343-Y346 PolarHBondContact O-N 3.08Å; Y346-Q348 PolarHBondContact O-N 2.98Å; Y346-Q349 PolarHBondContact O-N 3.2Å; Y346-V350 HydrophobicContact CD2-CG2 4.3Å; Y346-V350 HydrophobicContact CE1-CG2 4.32Å; Y346-V350 HydrophobicContact CE2-CG2 3.92Å; Y346-V350 WeakPolarHBondContact O-CB 3.45Å; Y346-V350 VanDerWaalsContact O-CG2 3.26Å; Y346-V350 WeakPolarHBondContact O-CG2 3.31Å; Y346-V350 PolarHBondContact O-N 3.46Å; Y346-A356 HydrophobicContact CD2-CB 3.28Å; Y346-A356 HydrophobicContact CE2-CB 3.61Å; Y346-A356 HydrophobicContact CG-CB 4.27Å
347Y98.8Very high98.7Very high59 Ų5954.5 Ų54.523%0.23126%0.257CS..Hα-helixtrans-60.8-47.3178.2-69.6-34.2000112.9Y85 A88 L343 K344 Q349 V350 D351Y85-Y347 WeakPolarHBondContact CA-OH 3.19Å; Y85-Y347 WeakPolarHBondContact CB-OH 3.45Å; Y85-Y347 AromaticContact CD2-CE1 3.77Å; Y85-Y347 HydrophobicContact CD2-CE1 3.77Å; Y85-Y347 PolarHBondContact N-OH 3.39Å; A88-Y347 HydrophobicContact CB-CD1 3.53Å; A88-Y347 HydrophobicContact CB-CE1 3.62Å; L343-Y347 HydrophobicContact CD1-CD1 4.48Å; L343-Y347 HydrophobicContact CD1-CD2 4.48Å; L343-Y347 HydrophobicContact CD1-CE1 3.93Å; L343-Y347 HydrophobicContact CD1-CE2 3.93Å; L343-Y347 HydrophobicContact CD2-CE2 3.71Å; L343-Y347 HydrophobicContact CG-CD2 4.02Å; L343-Y347 HydrophobicContact CG-CE1 4.42Å; L343-Y347 HydrophobicContact CG-CE2 3.5Å; L343-Y347 VanDerWaalsContact CG-CE2 3.5Å; L343-Y347 WeakPolarHBondContact O-CD2 3.49Å; L343-Y347 PolarHBondContact O-N 3.49Å; K344-Y347 PolarHBondContact O-N 3.33Å; Y347-Q349 PolarHBondContact O-N 3.48Å; Y347-V350 PolarHBondContact O-N 2.84Å; Y347-D351 WeakPolarHBondContact O-CB 3.5Å; Y347-D351 PolarHBondContact O-N 3.49Å
348Q98.9Very high98.7Very high88 Ų8856.7 Ų56.741%0.41126%0.264SS..Hα-helixtrans-59.9-47.6-179.1-177.9177-10.500111.4K344 Q345 Y346 D351 E352K344-Q348 PolarHBondContact O-N 2.89Å; Q345-Q348 PolarHBondContact O-N 3.45Å; Y346-Q348 PolarHBondContact O-N 2.98Å; Q348-D351 PolarHBondContact O-N 3.06Å; Q348-E352 HydrophobicContact CG-CG 4.47Å; Q348-E352 WeakPolarHBondContact CG-OE1 3.43Å; Q348-E352 PolarHBondContact NE2-OE1 3.07Å; Q348-E352 WeakPolarHBondContact O-CB 3.46Å; Q348-E352 VanDerWaalsContact O-CG 3.32Å; Q348-E352 WeakPolarHBondContact O-CG 3.31Å; Q348-E352 PolarHBondContact O-N 3.21Å
349Q98.8Very high98.7Very high22 Ų2258.1 Ų58.110%0.10327%0.268CS..Hα-helixtrans-70.2-36.2-176.7-161.3-177-32.900112.4Q345 Y346 Y347 E352 Q353 N355 L357Q345-Q349 WeakPolarHBondContact O-CB 3.27Å; Q345-Q349 PolarHBondContact O-N 3.08Å; Y346-Q349 PolarHBondContact O-N 3.2Å; Y347-Q349 PolarHBondContact O-N 3.48Å; Q349-E352 PolarHBondContact O-N 3.1Å; Q349-Q353 HydrophobicContact CG-CG 4.33Å; Q349-Q353 WeakPolarHBondContact O-CA 3.21Å; Q349-Q353 WeakPolarHBondContact O-CB 3.42Å; Q349-Q353 PolarHBondContact O-N 3.01Å; Q349-N355 CarbonylContact C-O 3.52Å; Q349-N355 VanDerWaalsContact C-O 3.25Å; Q349-N355 WeakPolarHBondContact CG-O 3.42Å; Q349-N355 VanDerWaalsContact O-O 3.13Å; Q349-L357 PolarHBondContact NE2-O 3.5Å
350V98.9Very high98.6Very high5 Ų557.6 Ų57.63%0.0327%0.266CS..Hα-helixtrans-64.6-41.4174.4172.30000111.3A88 Q91 E92 Y346 Y347 G354 N355 A356A88-V350 WeakPolarHBondContact O-CG1 3.18Å; Q91-V350 HydrophobicContact CB-CG1 3.69Å; E92-V350 HydrophobicContact CB-CG1 4.41Å; E92-V350 HydrophobicContact CB-CG2 4.44Å; Y346-V350 HydrophobicContact CD2-CG2 4.3Å; Y346-V350 HydrophobicContact CE1-CG2 4.32Å; Y346-V350 HydrophobicContact CE2-CG2 3.92Å; Y346-V350 WeakPolarHBondContact O-CB 3.45Å; Y346-V350 VanDerWaalsContact O-CG2 3.26Å; Y346-V350 WeakPolarHBondContact O-CG2 3.31Å; Y346-V350 PolarHBondContact O-N 3.46Å; Y347-V350 PolarHBondContact O-N 2.84Å; V350-G354 WeakPolarHBondContact O-CA 3.45Å; V350-G354 PolarHBondContact O-N 3.49Å; V350-N355 PolarHBondContact N-O 3.11Å; V350-A356 HydrophobicContact CG2-CB 3.9Å
351D98.6Very high98.6Very high146 Ų14657.2 Ų57.278%0.78127%0.265SS*.Hα-helixtrans-63.9-42.1176.4-172.563.1000111.9Y347 Q348Y347-D351 WeakPolarHBondContact O-CB 3.5Å; Y347-D351 PolarHBondContact O-N 3.49Å; Q348-D351 PolarHBondContact O-N 3.06Å
352E98.6Very high98.7Very high119 Ų11954.7 Ų54.756%0.55626%0.264SS*.Hα-helixtrans-79.2-33-177.1-70.4173.3-173.600114Q348 Q349Q348-E352 HydrophobicContact CG-CG 4.47Å; Q348-E352 WeakPolarHBondContact CG-OE1 3.43Å; Q348-E352 PolarHBondContact NE2-OE1 3.07Å; Q348-E352 WeakPolarHBondContact O-CB 3.46Å; Q348-E352 VanDerWaalsContact O-CG 3.32Å; Q348-E352 WeakPolarHBondContact O-CG 3.31Å; Q348-E352 PolarHBondContact O-N 3.21Å; Q349-E352 PolarHBondContact O-N 3.1Å
353Q98.5Very high98.7Very high108 Ų10849.8 Ų49.851%0.50524%0.242SC..Hα-helixtrans-131.6-2.8-166.1-53.3178.717.500114.2Q349 N355Q349-Q353 HydrophobicContact CG-CG 4.33Å; Q349-Q353 WeakPolarHBondContact O-CA 3.21Å; Q349-Q353 WeakPolarHBondContact O-CB 3.42Å; Q349-Q353 PolarHBondContact O-N 3.01Å; Q353-N355 PolarHBondContact O-N 2.83Å; Q353-N355 PolarHBondContact O-ND2 3.01Å; Q353-N355 VanDerWaalsContact O-ND2 3.09Å
354G98.4Very high98.7Very high2 Ų252.3 Ų52.32%0.02126%0.258CS..SBendtrans71.90.8-176.400000114.7E92 H95 V350E92-G354 WeakPolarHBondContact CA-O 3.49Å; H95-G354 VanDerWaalsContact CB-O 3.26Å; H95-G354 WeakPolarHBondContact CB-O 3.25Å; V350-G354 WeakPolarHBondContact O-CA 3.45Å; V350-G354 PolarHBondContact O-N 3.49Å
355N98.8Very high98.7Very high13 Ų1350.3 Ų50.37%0.0725%0.246CC..SBendtrans-150.9166.7179.675.189.6000111.2R96 Q349 V350 Q353 L357R96-N355 PolarHBondContact NH2-OD1 3.36Å; Q349-N355 CarbonylContact C-O 3.52Å; Q349-N355 VanDerWaalsContact C-O 3.25Å; Q349-N355 WeakPolarHBondContact CG-O 3.42Å; Q349-N355 VanDerWaalsContact O-O 3.13Å; V350-N355 PolarHBondContact N-O 3.11Å; Q353-N355 PolarHBondContact O-N 2.83Å; Q353-N355 PolarHBondContact O-ND2 3.01Å; Q353-N355 VanDerWaalsContact O-ND2 3.09Å; N355-L357 WeakPolarHBondContact OD1-CB 3.21Å; N355-L357 PolarHBondContact OD1-N 3.11Å; N355-L357 VanDerWaalsContact OD1-N 3.11Å
356A98.8Very high98.7Very high0 Ų048.2 Ų48.20%024%0.238CC..  trans-117.925.7-177.500000114.1N339 Q340 Y346 V350 W358N339-A356 CarbonylContact C-O 3.58Å; N339-A356 WeakPolarHBondContact CA-O 3.46Å; N339-A356 HydrophobicContact CB-CB 4.08Å; Q340-A356 HydrophobicContact CB-CB 4.4Å; Q340-A356 HydrophobicContact CG-CB 4.4Å; Q340-A356 PolarHBondContact N-O 2.94Å; Y346-A356 HydrophobicContact CD2-CB 3.28Å; Y346-A356 HydrophobicContact CE2-CB 3.61Å; Y346-A356 HydrophobicContact CG-CB 4.27Å; V350-A356 HydrophobicContact CG2-CB 3.9Å; A356-W358 PolarHBondContact O-N 3.41Å; A356-W358 VanDerWaalsContact O-N 3.14Å
357L98.9Very high98.7Very high17 Ų1748.4 Ų48.49%0.08924%0.238CC..EExtended strand (participates in β ladder)trans-58.2118.1-177.9176.863.5000110.8F36 F41 A337 Q349 N355F36-L357 HydrophobicContact CD1-CD1 4.33Å; F41-L357 HydrophobicContact CB-CD2 3.89Å; F41-L357 HydrophobicContact CG-CD2 4.47Å; A337-L357 HydrophobicContact CB-CD1 3.73Å; Q349-L357 PolarHBondContact NE2-O 3.5Å; N355-L357 WeakPolarHBondContact OD1-CB 3.21Å; N355-L357 PolarHBondContact OD1-N 3.11Å; N355-L357 VanDerWaalsContact OD1-N 3.11Å
358W98.8Very high98.7Very high51 Ų5145.8 Ų45.819%0.19323%0.229CC..EExtended strand (participates in β ladder)trans-107.6-52.2-177.9172.333.1000112.6E34 Q338 Q340 K341 A356E34-W358 PolarHBondContact OE1-NE1 3.35Å; Q338-W358 PolarHBondContact O-N 3.13Å; Q340-W358 HydrophobicContact CG-CB 4.13Å; K341-W358 HydrophobicContact CB-CE3 4.39Å; K341-W358 HydrophobicContact CB-CZ3 3.99Å; K341-W358 HydrophobicContact CD-CH2 3.58Å; K341-W358 HydrophobicContact CD-CZ3 3.53Å; K341-W358 HydrophobicContact CG-CE3 4.25Å; K341-W358 HydrophobicContact CG-CH2 4.04Å; K341-W358 HydrophobicContact CG-CZ3 3.65Å; A356-W358 PolarHBondContact O-N 3.41Å; A356-W358 VanDerWaalsContact O-N 3.14Å
359R98.7Very high98.7Very high50 Ų5041.6 Ų41.619%0.18921%0.209CC..EExtended strand (participates in β ladder)trans-153.8161.9-173.863.2179.4-170.8149.18.7111.4A29 F32 S33 E34 Q338A29-R359 PolarHBondContact O-NH1 2.8Å; A29-R359 PolarHBondContact O-NH2 2.96Å; F32-R359 HydrophobicContact CB-CB 4.31Å; F32-R359 HydrophobicContact CB-CG 3.92Å; F32-R359 HydrophobicContact CD2-CG 4.37Å; S33-R359 CarbonylContact O-C 3.37Å; S33-R359 WeakPolarHBondContact O-CA 3.4Å; S33-R359 VanDerWaalsContact O-CB 3.29Å; S33-R359 WeakPolarHBondContact O-CB 3.44Å; E34-R359 HydrophobicContact CG-CB 4.16Å; Q338-R359 HydrophobicContact CB-CG 4.26Å; Q338-R359 PolarHBondContact N-O 3.1Å; Q338-R359 PolarHBondContact O-N 3.35Å
360G98.7Very high98.7Very high1 Ų141.1 Ų41.11%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-175-169.1-178.200000113.2F32 S33 F36 Y336F32-G360 CarbonylContact C-O 3.32Å; F32-G360 WeakPolarHBondContact CA-O 3.44Å; S33-G360 PolarHBondContact N-O 3.1Å; S33-G360 PolarHBondContact O-N 2.95Å; F36-G360 VanDerWaalsContact CB-C 3.47Å; Y336-G360 CarbonylContact O-C 3.58Å; Y336-G360 WeakPolarHBondContact O-CA 3.27Å
361I98.7Very high98.6Very high22 Ų2242.3 Ų42.311%0.11321%0.211CC..EExtended strand (participates in β ladder)trans-152.9134.1176.9-177.2165000109.1P27 E31 F32 C335 Y336 L363P27-I361 HydrophobicContact CB-CD1 4.36Å; P27-I361 HydrophobicContact CG-CD1 4.14Å; E31-I361 HydrophobicContact CB-CD1 4.04Å; F32-I361 HydrophobicContact CD1-CB 4.4Å; F32-I361 HydrophobicContact CD1-CG2 3.67Å; F32-I361 HydrophobicContact CE1-CG2 3.78Å; C335-I361 CarbonylContact C-O 3.42Å; C335-I361 VanDerWaalsContact CA-O 3.23Å; C335-I361 WeakPolarHBondContact CA-O 3.24Å; C335-I361 WeakPolarHBondContact CB-O 3.5Å; Y336-I361 HydrophobicContact CD2-CG2 3.93Å; Y336-I361 HydrophobicContact CG-CG2 4.37Å; Y336-I361 PolarHBondContact N-O 2.85Å; Y336-I361 PolarHBondContact O-N 2.98Å; I361-L363 HydrophobicContact CG2-CD1 3.98Å
362A98.7Very high98.6Very high54 Ų5436.6 Ų36.645%0.44618%0.18SC..EExtended strand (participates in β ladder)trans-89.3120163.100000107.7F36F36-A362 HydrophobicContact CE2-CB 4.14Å
363L98.7Very high98.6Very high21 Ų2131 Ų3111%0.1115%0.154CC..PPolyproline II helixtrans-70.8136.2-175.9-82.262.2000109.8P27 D334 Y336 I361 D367P27-L363 HydrophobicContact CG-CG 4.35Å; D334-L363 VanDerWaalsContact O-CB 3.27Å; D334-L363 WeakPolarHBondContact O-CB 3.42Å; D334-L363 WeakPolarHBondContact O-CD1 3.35Å; D334-L363 PolarHBondContact O-N 3.5Å; Y336-L363 HydrophobicContact CD2-CD1 3.87Å; Y336-L363 HydrophobicContact CE2-CD1 3.9Å; Y336-L363 HydrophobicContact CE2-CD2 4.2Å; Y336-L363 HydrophobicContact CG-CD1 4.28Å; I361-L363 HydrophobicContact CG2-CD1 3.98Å; L363-D367 HydrophobicContact CB-CB 3.73Å; L363-D367 HydrophobicContact CD2-CB 4.18Å; L363-D367 HydrophobicContact CG-CB 3.78Å
364T98.6Very high98.6Very high77 Ų7726 Ų2647%0.47213%0.13SC..PPolyproline II helixtrans-71.5169.1168.168.30000110.4D366 D367 C368T364-D366 VanDerWaalsContact C-N 3.27Å; T364-D366 PolarHBondContact O-N 3.09Å; T364-D366 PolarHBondContact OG1-N 3.09Å; T364-D367 WeakPolarHBondContact CB-OD2 3.48Å; T364-D367 WeakPolarHBondContact CG2-OD2 3.21Å; T364-D367 PolarHBondContact N-OD2 2.69Å; T364-D367 WeakPolarHBondContact O-CB 3.38Å; T364-D367 PolarHBondContact O-N 2.7Å; T364-D367 VanDerWaalsContact O-N 3.13Å; T364-D367 PolarHBondContact OG1-N 3.35Å; T364-D367 VanDerWaalsContact OG1-N 3.16Å; T364-D367 PolarHBondContact OG1-OD2 2.63Å; T364-C368 PolarHBondContact O-N 3.27Å
365R98.4Very high98.5Very high118 Ų11828.9 Ų28.945%0.44514%0.142SC..Hα-helixtrans-56-43171.9-178.8177.1166.9-82.410.9111.7D367 C368 I369 W392 D393R365-D367 VanDerWaalsContact C-N 3.32Å; R365-D367 PolarHBondContact O-N 3.03Å; R365-C368 PolarHBondContact O-N 3.35Å; R365-I369 HydrophobicContact CG-CD1 3.94Å; R365-I369 WeakPolarHBondContact O-CD1 3.09Å; R365-I369 WeakPolarHBondContact O-CG1 3.32Å; R365-I369 PolarHBondContact O-N 3.47Å; R365-I369 VanDerWaalsContact O-N 3.11Å; R365-W392 HydrophobicContact CG-CE3 4Å; R365-W392 HydrophobicContact CG-CZ3 4.03Å; R365-W392 PolarHBondContact NH2-O 3.35Å; R365-D393 PolarHBondContact NH2-O 2.9Å
366D98.6Very high98.4Very high40 Ų4029.8 Ų29.821%0.21415%0.15CC..Hα-helixtrans-61.9-41.6176.7-179.768.2000111.3T364 C368 I369 R370 Y399T364-D366 VanDerWaalsContact C-N 3.27Å; T364-D366 PolarHBondContact O-N 3.09Å; T364-D366 PolarHBondContact OG1-N 3.09Å; D366-C368 PolarHBondContact O-N 3.16Å; D366-I369 PolarHBondContact O-N 2.79Å; D366-R370 VanDerWaalsContact CG-NE 3.32Å; D366-R370 WeakPolarHBondContact O-CB 3.26Å; D366-R370 WeakPolarHBondContact O-CG 3.18Å; D366-R370 PolarHBondContact O-N 3.24Å; D366-R370 IonicContact OD1-CZ 3.89Å; D366-R370 IonicContact OD1-NE 3.95Å; D366-R370 PolarHBondContact OD1-NE 2.95Å; D366-R370 IonicContact OD1-NH2 3.65Å; D366-R370 WeakPolarHBondContact OD2-CD 3.4Å; D366-R370 IonicContact OD2-NE 2.84Å; D366-R370 PolarHBondContact OD2-NE 2.93Å; D366-R370 VanDerWaalsContact OD2-NE 3.12Å; D366-Y399 WeakPolarHBondContact CA-OH 3.44Å; D366-Y399 WeakPolarHBondContact CB-OH 3.26Å; D366-Y399 WeakPolarHBondContact OD1-CE1 3.34Å; D366-Y399 PolarHBondContact OD1-OH 3.19Å
367D98.6Very high98.4Very high3 Ų329.8 Ų29.82%0.01615%0.15CC..Hα-helixtrans-61.2-44.5177.6-64.5-51.7000112.4P27 L363 T364 R365 R370 R371 Y443P27-D367 HydrophobicContact CG-CB 3.99Å; P27-D367 WeakPolarHBondContact CG-OD1 3.48Å; L363-D367 HydrophobicContact CB-CB 3.73Å; L363-D367 HydrophobicContact CD2-CB 4.18Å; L363-D367 HydrophobicContact CG-CB 3.78Å; T364-D367 WeakPolarHBondContact CB-OD2 3.48Å; T364-D367 WeakPolarHBondContact CG2-OD2 3.21Å; T364-D367 PolarHBondContact N-OD2 2.69Å; T364-D367 WeakPolarHBondContact O-CB 3.38Å; T364-D367 PolarHBondContact O-N 2.7Å; T364-D367 VanDerWaalsContact O-N 3.13Å; T364-D367 PolarHBondContact OG1-N 3.35Å; T364-D367 VanDerWaalsContact OG1-N 3.16Å; T364-D367 PolarHBondContact OG1-OD2 2.63Å; R365-D367 VanDerWaalsContact C-N 3.32Å; R365-D367 PolarHBondContact O-N 3.03Å; D367-R370 PolarHBondContact O-N 3.27Å; D367-R371 WeakPolarHBondContact O-CB 3.16Å; D367-R371 PolarHBondContact O-N 3.43Å; D367-Y443 VanDerWaalsContact CG-OH 3.31Å; D367-Y443 WeakPolarHBondContact OD1-CE2 3.49Å; D367-Y443 PolarHBondContact OD1-OH 2.85Å; D367-Y443 PolarHBondContact OD2-OH 2.9Å
368C98.6Very high98.2Very high5 Ų529.1 Ų29.13%0.03415%0.146CC..Hα-helixtrans-64.2-44.9178.5-69.10000112.2T364 R365 D366 R370 R371 D372 W392T364-C368 PolarHBondContact O-N 3.27Å; R365-C368 PolarHBondContact O-N 3.35Å; D366-C368 PolarHBondContact O-N 3.16Å; C368-R370 PolarHBondContact O-N 3.1Å; C368-R371 WeakPolarHBondContact O-CB 3.5Å; C368-R371 PolarHBondContact O-N 2.89Å; C368-D372 PolarHBondContact O-N 3.02Å; C368-W392 HydrophobicContact CB-CH2 3.35Å; C368-W392 HydrophobicContact CB-CZ2 3.68Å; C368-W392 HydrophobicContact CB-CZ3 4.23Å
369I98.7Very high98.1Very high0 Ų026.7 Ų26.70%014%0.137CC..Hα-helixtrans-59.1-49.8177.4-61161.2000109.8R365 D366 R371 D372 V373 I388 W392 L394 Y399 F400R365-I369 HydrophobicContact CG-CD1 3.94Å; R365-I369 WeakPolarHBondContact O-CD1 3.09Å; R365-I369 WeakPolarHBondContact O-CG1 3.32Å; R365-I369 PolarHBondContact O-N 3.47Å; R365-I369 VanDerWaalsContact O-N 3.11Å; D366-I369 PolarHBondContact O-N 2.79Å; I369-R371 PolarHBondContact O-N 2.9Å; I369-D372 PolarHBondContact O-N 2.66Å; I369-V373 WeakPolarHBondContact O-CG2 3.49Å; I369-V373 PolarHBondContact O-N 2.91Å; I369-I388 HydrophobicContact CG2-CG2 4.03Å; I369-W392 HydrophobicContact CB-CD2 4.48Å; I369-W392 HydrophobicContact CB-CG 4.49Å; I369-W392 HydrophobicContact CD1-CB 4.13Å; I369-W392 HydrophobicContact CD1-CD2 4.18Å; I369-W392 HydrophobicContact CD1-CE3 4.24Å; I369-W392 HydrophobicContact CD1-CG 4.16Å; I369-W392 HydrophobicContact CG1-CB 3.96Å; I369-W392 HydrophobicContact CG1-CD2 3.33Å; I369-W392 HydrophobicContact CG1-CE3 3.71Å; I369-W392 HydrophobicContact CG1-CG 3.46Å; I369-W392 VanDerWaalsContact CG1-CG 3.46Å; I369-W392 HydrophobicContact CG1-CZ2 4.37Å; I369-W392 HydrophobicContact CG1-CZ3 4.37Å; I369-L394 HydrophobicContact CD1-CD2 3.75Å; I369-L394 HydrophobicContact CG1-CD2 4.37Å; I369-L394 HydrophobicContact CG2-CD2 3.99Å; I369-Y399 HydrophobicContact CD1-CE1 4.03Å; I369-Y399 HydrophobicContact CG2-CE1 4.39Å; I369-F400 HydrophobicContact CG2-CE2 4.07Å; I369-F400 HydrophobicContact CG2-CZ 3.64Å
370R98.6Very high98.1Very high11 Ų1125.3 Ų25.34%0.04213%0.134CC..Hα-helixtrans-66.9-36.1-178.4-73.4173-179.1-76-5.6112.5Y26 D366 D367 C368 D372 V373 I374 F400 D403 F440Y26-R370 HydrophobicContact CD1-CB 3.91Å; Y26-R370 HydrophobicContact CE1-CB 3.34Å; Y26-R370 HydrophobicContact CE1-CG 4.41Å; Y26-R370 WeakPolarHBondContact OH-CD 3.42Å; D366-R370 VanDerWaalsContact CG-NE 3.32Å; D366-R370 WeakPolarHBondContact O-CB 3.26Å; D366-R370 WeakPolarHBondContact O-CG 3.18Å; D366-R370 PolarHBondContact O-N 3.24Å; D366-R370 IonicContact OD1-CZ 3.89Å; D366-R370 IonicContact OD1-NE 3.95Å; D366-R370 PolarHBondContact OD1-NE 2.95Å; D366-R370 IonicContact OD1-NH2 3.65Å; D366-R370 WeakPolarHBondContact OD2-CD 3.4Å; D366-R370 IonicContact OD2-NE 2.84Å; D366-R370 PolarHBondContact OD2-NE 2.93Å; D366-R370 VanDerWaalsContact OD2-NE 3.12Å; D367-R370 PolarHBondContact O-N 3.27Å; C368-R370 PolarHBondContact O-N 3.1Å; R370-D372 VanDerWaalsContact C-N 3.33Å; R370-D372 PolarHBondContact O-N 2.73Å; R370-V373 PolarHBondContact O-N 3.16Å; R370-I374 WeakPolarHBondContact O-CB 3.47Å; R370-I374 VanDerWaalsContact O-CG1 3.27Å; R370-I374 WeakPolarHBondContact O-CG1 3.32Å; R370-I374 PolarHBondContact O-N 3.22Å; R370-F400 HydrophobicContact CG-CE1 4Å; R370-F400 HydrophobicContact CG-CZ 4.49Å; R370-D403 IonicContact CZ-OD1 2.75Å; R370-D403 IonicContact CZ-OD2 3.71Å; R370-D403 IonicContact NH1-OD1 3.27Å; R370-D403 PolarHBondContact NH1-OD1 2.91Å; R370-D403 IonicContact NH1-OD2 3.48Å; R370-D403 IonicContact NH2-OD1 2.82Å; R370-D403 PolarHBondContact NH2-OD1 3.31Å; R370-D403 IonicContact NH2-OD2 2.97Å; R370-D403 PolarHBondContact NH2-OD2 3.26Å; R370-D403 VanDerWaalsContact NH2-OD2 3.12Å; R370-F440 PolarHBondContact NH1-O 2.93Å
371R98.1Very high98Very high31 Ų3125.7 Ų25.712%0.11714%0.135CC..Hα-helixtrans-57.1-48.1170.9178.1-161.268.6-162-3.6110.6Y26 D334 Y336 D367 C368 I369 I374 K375Y26-R371 HydrophobicContact CD1-CB 4.12Å; Y26-R371 WeakPolarHBondContact O-CG 3.49Å; D334-R371 IonicContact OD1-CZ 2.7Å; D334-R371 IonicContact OD1-NH1 3.47Å; D334-R371 PolarHBondContact OD1-NH1 3.49Å; D334-R371 IonicContact OD1-NH2 3.12Å; D334-R371 PolarHBondContact OD1-NH2 3.35Å; Y336-R371 VanDerWaalsContact OH-CD 3.23Å; Y336-R371 WeakPolarHBondContact OH-CD 3.27Å; D367-R371 WeakPolarHBondContact O-CB 3.16Å; D367-R371 PolarHBondContact O-N 3.43Å; C368-R371 WeakPolarHBondContact O-CB 3.5Å; C368-R371 PolarHBondContact O-N 2.89Å; I369-R371 PolarHBondContact O-N 2.9Å; R371-I374 PolarHBondContact O-N 3.47Å; R371-K375 HydrophobicContact CG-CD 3.85Å; R371-K375 HydrophobicContact CG-CG 4.39Å; R371-K375 VanDerWaalsContact O-CB 3.31Å; R371-K375 WeakPolarHBondContact O-CB 3.36Å; R371-K375 VanDerWaalsContact O-CG 3.25Å; R371-K375 WeakPolarHBondContact O-CG 3.4Å; R371-K375 PolarHBondContact O-N 3.3Å
372D97.6Very high97.9Very high26 Ų2629.5 Ų29.514%0.13915%0.148CC..Hα-helixtrans-69.1-38.9-176.7-63-11.3000111.3C368 I369 R370 K375 S376 I388C368-D372 PolarHBondContact O-N 3.02Å; I369-D372 PolarHBondContact O-N 2.66Å; R370-D372 VanDerWaalsContact C-N 3.33Å; R370-D372 PolarHBondContact O-N 2.73Å; D372-K375 PolarHBondContact O-N 2.94Å; D372-S376 WeakPolarHBondContact O-CB 3.37Å; D372-S376 PolarHBondContact O-N 3.32Å; D372-I388 HydrophobicContact CB-CD1 4.22Å
373V98.5Very high97.9Very high0 Ų027.1 Ų27.10%013%0.127CC..Hα-helixtrans-58.2-52.3170.7165.40000111.7I369 R370 K375 S376 L377 L383 I388 F396 F400 F440I369-V373 WeakPolarHBondContact O-CG2 3.49Å; I369-V373 PolarHBondContact O-N 2.91Å; R370-V373 PolarHBondContact O-N 3.16Å; V373-K375 PolarHBondContact O-N 3.21Å; V373-S376 PolarHBondContact O-N 3.16Å; V373-L377 HydrophobicContact CG1-CD1 4.09Å; V373-L377 WeakPolarHBondContact O-CG 3.47Å; V373-L377 PolarHBondContact O-N 3.49Å; V373-L377 VanDerWaalsContact O-N 3.08Å; V373-L383 HydrophobicContact CB-CD2 4.45Å; V373-L383 HydrophobicContact CG1-CD2 3.77Å; V373-L383 HydrophobicContact CG2-CD1 4.3Å; V373-L383 HydrophobicContact CG2-CD2 4.19Å; V373-I388 HydrophobicContact CG2-CD1 4.4Å; V373-I388 HydrophobicContact CG2-CG1 4.37Å; V373-I388 HydrophobicContact CG2-CG2 4.45Å; V373-F396 HydrophobicContact CG2-CE2 4.25Å; V373-F400 HydrophobicContact CG2-CE2 4.26Å; V373-F400 HydrophobicContact CG2-CZ 3.91Å; V373-F440 HydrophobicContact CG1-CB 4.43Å; V373-F440 HydrophobicContact CG1-CD1 3.91Å; V373-F440 HydrophobicContact CG1-CD2 4.25Å; V373-F440 HydrophobicContact CG1-CE1 4.21Å; V373-F440 HydrophobicContact CG1-CG 3.93Å
374I98.2Very high97.9Very high4 Ų429.5 Ų29.52%0.02114%0.14CC..Hα-helixtrans-64.8-41.7-178.7-70.9166.7000110.8Y23 Y26 R370 R371 L377 I378 C437 F440Y23-I374 HydrophobicContact CD1-CD1 4.23Å; Y23-I374 HydrophobicContact CD1-CG2 4Å; Y23-I374 HydrophobicContact CE1-CD1 4.06Å; Y23-I374 HydrophobicContact CG-CG2 4.08Å; Y26-I374 HydrophobicContact CD1-CD1 4.32Å; Y26-I374 HydrophobicContact CD2-CD1 3.43Å; Y26-I374 VanDerWaalsContact CD2-CD1 3.43Å; Y26-I374 HydrophobicContact CE2-CD1 3.92Å; Y26-I374 HydrophobicContact CG-CD1 3.64Å; R370-I374 WeakPolarHBondContact O-CB 3.47Å; R370-I374 VanDerWaalsContact O-CG1 3.27Å; R370-I374 WeakPolarHBondContact O-CG1 3.32Å; R370-I374 PolarHBondContact O-N 3.22Å; R371-I374 PolarHBondContact O-N 3.47Å; I374-L377 PolarHBondContact O-N 3.12Å; I374-I378 HydrophobicContact CG2-CD1 3.92Å; I374-I378 HydrophobicContact CG2-CG1 4.46Å; I374-I378 WeakPolarHBondContact O-CB 3.44Å; I374-I378 WeakPolarHBondContact O-CG1 3.39Å; I374-I378 PolarHBondContact O-N 3.39Å; I374-C437 HydrophobicContact CG1-CB 4.3Å; I374-C437 HydrophobicContact CG2-CB 4.11Å; I374-F440 HydrophobicContact CD1-CB 4.43Å; I374-F440 HydrophobicContact CG1-CB 4.23Å
375K96.5Very high97.9Very high62 Ų6226.4 Ų26.427%0.2712%0.12SC..Hα-helixtrans-59.6-46.8175.9-79.1173.768.7-171.80111.1R371 D372 V373 L377 I378 C379R371-K375 HydrophobicContact CG-CD 3.85Å; R371-K375 HydrophobicContact CG-CG 4.39Å; R371-K375 VanDerWaalsContact O-CB 3.31Å; R371-K375 WeakPolarHBondContact O-CB 3.36Å; R371-K375 VanDerWaalsContact O-CG 3.25Å; R371-K375 WeakPolarHBondContact O-CG 3.4Å; R371-K375 PolarHBondContact O-N 3.3Å; D372-K375 PolarHBondContact O-N 2.94Å; V373-K375 PolarHBondContact O-N 3.21Å; K375-L377 PolarHBondContact O-N 2.96Å; K375-I378 PolarHBondContact O-N 2.99Å; K375-C379 VanDerWaalsContact O-CB 3.32Å; K375-C379 WeakPolarHBondContact O-CB 3.41Å; K375-C379 PolarHBondContact O-N 3.22Å; K375-C379 PolarHBondContact O-SG 3.2Å
376S97.5Very high97.9Very high32 Ų3223.9 Ų23.922%0.22412%0.124CC..Hα-helixtrans-61.2-46.2179.7-167.60000111.7D372 V373 I378 C379 N380 R382D372-S376 WeakPolarHBondContact O-CB 3.37Å; D372-S376 PolarHBondContact O-N 3.32Å; V373-S376 PolarHBondContact O-N 3.16Å; S376-I378 PolarHBondContact O-N 3.49Å; S376-C379 PolarHBondContact O-N 3.22Å; S376-N380 WeakPolarHBondContact O-CA 3.28Å; S376-N380 WeakPolarHBondContact O-CB 3.22Å; S376-N380 PolarHBondContact O-N 2.9Å; S376-R382 CarbonylContact C-O 3.6Å; S376-R382 PolarHBondContact OG-O 2.94Å; S376-R382 VanDerWaalsContact OG-O 3.07Å
377L98.1Very high97.9Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-61.4-46.7176.8-70.6169.9000112.1V373 I374 K375 C379 F381 L383 I423 V425 I433 I436 F440V373-L377 HydrophobicContact CG1-CD1 4.09Å; V373-L377 WeakPolarHBondContact O-CG 3.47Å; V373-L377 PolarHBondContact O-N 3.49Å; V373-L377 VanDerWaalsContact O-N 3.08Å; I374-L377 PolarHBondContact O-N 3.12Å; K375-L377 PolarHBondContact O-N 2.96Å; L377-C379 PolarHBondContact O-N 3.17Å; L377-F381 VanDerWaalsContact O-CA 3.31Å; L377-F381 WeakPolarHBondContact O-CA 3.49Å; L377-F381 PolarHBondContact O-N 2.83Å; L377-F381 VanDerWaalsContact O-N 3.08Å; L377-L383 HydrophobicContact CD2-CB 3.87Å; L377-L383 HydrophobicContact CG-CB 4.28Å; L377-I423 HydrophobicContact CD2-CB 4.49Å; L377-I423 HydrophobicContact CD2-CG2 4.18Å; L377-V425 HydrophobicContact CD2-CG2 4.22Å; L377-I433 HydrophobicContact CB-CD1 4.22Å; L377-I433 WeakPolarHBondContact O-CD1 3.43Å; L377-I436 HydrophobicContact CD1-CG2 4.36Å; L377-F440 HydrophobicContact CD1-CD2 4.03Å; L377-F440 HydrophobicContact CD1-CE2 3.85Å
378I96.3Very high97.8Very high3 Ų326 Ų262%0.01514%0.14CC..Hα-helixtrans-68-34-178.6-77.6-177.1000113.2Y23 M287 Y313 I374 K375 S376 I433 C437Y23-I378 VanDerWaalsContact CB-CD1 3.45Å; Y23-I378 HydrophobicContact CG-CD1 4.28Å; M287-I378 HydrophobicContact CE-CG2 3.51Å; M287-I378 HydrophobicContact SD-CG2 4.22Å; Y313-I378 HydrophobicContact CE1-CG2 4.17Å; Y313-I378 PolarHBondContact OH-O 3.49Å; I374-I378 HydrophobicContact CG2-CD1 3.92Å; I374-I378 HydrophobicContact CG2-CG1 4.46Å; I374-I378 WeakPolarHBondContact O-CB 3.44Å; I374-I378 WeakPolarHBondContact O-CG1 3.39Å; I374-I378 PolarHBondContact O-N 3.39Å; K375-I378 PolarHBondContact O-N 2.99Å; S376-I378 PolarHBondContact O-N 3.49Å; I378-I433 HydrophobicContact CG1-CG1 4.11Å; I378-C437 VanDerWaalsContact CG1-SG 3.57Å
379C96.6Very high97.8Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-91.3-46-175.1-57.60000112Q301 L306 Y313 K375 S376 L377Q301-C379 PolarHBondContact NE2-O 3.37Å; L306-C379 HydrophobicContact CB-CB 3.96Å; L306-C379 HydrophobicContact CD2-CB 4.22Å; L306-C379 HydrophobicContact CG-CB 4.03Å; L306-C379 WeakPolarHBondContact O-CB 3.37Å; Y313-C379 HydrophobicContact CE1-CB 4.3Å; K375-C379 VanDerWaalsContact O-CB 3.32Å; K375-C379 WeakPolarHBondContact O-CB 3.41Å; K375-C379 PolarHBondContact O-N 3.22Å; K375-C379 PolarHBondContact O-SG 3.2Å; S376-C379 PolarHBondContact O-N 3.22Å; L377-C379 PolarHBondContact O-N 3.17Å
380N97.2Very high97.8Very high22 Ų2237 Ų3712%0.11819%0.188CC..Hα-helixtrans-108.5-5.7-167.5-56.3-49.2000113.1G304 L306 S376 R382G304-N380 VanDerWaalsContact C-OD1 3.31Å; G304-N380 PolarHBondContact O-ND2 2.81Å; G304-N380 VanDerWaalsContact O-ND2 3.16Å; L306-N380 PolarHBondContact N-OD1 3.49Å; L306-N380 VanDerWaalsContact N-OD1 3.15Å; S376-N380 WeakPolarHBondContact O-CA 3.28Å; S376-N380 WeakPolarHBondContact O-CB 3.22Å; S376-N380 PolarHBondContact O-N 2.9Å; N380-R382 HydrophobicContact CB-CG 4.21Å; N380-R382 PolarHBondContact O-N 2.93Å; N380-R382 VanDerWaalsContact O-N 3.1Å
381F97.3Very high97.8Very high8 Ų842.3 Ų42.34%0.03521%0.213CC..SBendtrans56.324.6-179.1-67.3-84.1000113.5I285 L377 Q424 V425 R430 I433I285-F381 WeakPolarHBondContact O-CE2 3.5Å; L377-F381 VanDerWaalsContact O-CA 3.31Å; L377-F381 WeakPolarHBondContact O-CA 3.49Å; L377-F381 PolarHBondContact O-N 2.83Å; L377-F381 VanDerWaalsContact O-N 3.08Å; F381-Q424 PolarHBondContact O-NE2 2.64Å; F381-V425 HydrophobicContact CB-CB 4.06Å; F381-V425 HydrophobicContact CB-CG2 4.44Å; F381-V425 HydrophobicContact CD1-CB 4.16Å; F381-V425 HydrophobicContact CD1-CG1 4.02Å; F381-V425 VanDerWaalsContact O-CB 3.28Å; F381-V425 WeakPolarHBondContact O-CB 3.48Å; F381-V425 WeakPolarHBondContact O-CG2 3.3Å; F381-V425 PolarHBondContact O-N 2.79Å; F381-R430 HydrophobicContact CD1-CB 3.98Å; F381-R430 HydrophobicContact CD1-CG 3.63Å; F381-R430 HydrophobicContact CE1-CB 3.68Å; F381-R430 HydrophobicContact CE1-CG 3.86Å; F381-R430 HydrophobicContact CG-CG 4.24Å; F381-R430 HydrophobicContact CZ-CB 4.43Å; F381-I433 HydrophobicContact CD1-CD1 4.24Å; F381-I433 HydrophobicContact CD1-CG1 4.5Å; F381-I433 HydrophobicContact CE1-CB 4.13Å; F381-I433 HydrophobicContact CE1-CD1 4.35Å; F381-I433 HydrophobicContact CE1-CG1 4.13Å
382R97.6Very high97.8Very high102 Ų10243 Ų4339%0.38522%0.215SC..EExtended strand (participates in β ladder)trans-154.1160.717665-178-81.3167.40.4110.1S376 N380 D384 I423S376-R382 CarbonylContact C-O 3.6Å; S376-R382 PolarHBondContact OG-O 2.94Å; S376-R382 VanDerWaalsContact OG-O 3.07Å; N380-R382 HydrophobicContact CB-CG 4.21Å; N380-R382 PolarHBondContact O-N 2.93Å; N380-R382 VanDerWaalsContact O-N 3.1Å; R382-D384 IonicContact CZ-OD1 3.22Å; R382-D384 IonicContact CZ-OD2 3.4Å; R382-D384 IonicContact NE-OD1 2.88Å; R382-D384 IonicContact NE-OD2 3.64Å; R382-D384 PolarHBondContact NE-OD2 2.94Å; R382-D384 VanDerWaalsContact NE-OD2 3.1Å; R382-D384 IonicContact NH2-OD1 3.42Å; R382-D384 PolarHBondContact NH2-OD1 2.88Å; R382-D384 IonicContact NH2-OD2 3.8Å; R382-D384 PolarHBondContact NH2-OD2 3.32Å; R382-I423 CarbonylContact C-O 3.56Å; R382-I423 VanDerWaalsContact CA-O 3.22Å; R382-I423 WeakPolarHBondContact CA-O 3.45Å
383L98.5Very high97.8Very high4 Ų448.8 Ų48.82%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-142.9113.8172.6-179.871.5000108.8V373 L377 Y385 I388 F396 G422 I423V373-L383 HydrophobicContact CB-CD2 4.45Å; V373-L383 HydrophobicContact CG1-CD2 3.77Å; V373-L383 HydrophobicContact CG2-CD1 4.3Å; V373-L383 HydrophobicContact CG2-CD2 4.19Å; L377-L383 HydrophobicContact CD2-CB 3.87Å; L377-L383 HydrophobicContact CG-CB 4.28Å; L383-Y385 HydrophobicContact CD2-CD1 4.36Å; L383-Y385 HydrophobicContact CD2-CE1 4.26Å; L383-Y385 HydrophobicContact CG-CD1 4.44Å; L383-I388 HydrophobicContact CD1-CG1 4.14Å; L383-F396 HydrophobicContact CD2-CE2 3.76Å; L383-F396 HydrophobicContact CD2-CZ 3.55Å; L383-G422 CarbonylContact O-C 3.42Å; L383-G422 WeakPolarHBondContact O-CA 3.43Å; L383-I423 HydrophobicContact CB-CB 4.31Å; L383-I423 HydrophobicContact CD2-CD1 4.13Å; L383-I423 PolarHBondContact N-O 2.91Å; L383-I423 PolarHBondContact O-N 3.24Å
384D98.2Very high97.8Very high71 Ų7150 Ų5038%0.3825%0.253SS..EExtended strand (participates in β ladder)trans-85.4131.8167.3-60.5-72.3000108.7R382 P387R382-D384 IonicContact CZ-OD1 3.22Å; R382-D384 IonicContact CZ-OD2 3.4Å; R382-D384 IonicContact NE-OD1 2.88Å; R382-D384 IonicContact NE-OD2 3.64Å; R382-D384 PolarHBondContact NE-OD2 2.94Å; R382-D384 VanDerWaalsContact NE-OD2 3.1Å; R382-D384 IonicContact NH2-OD1 3.42Å; R382-D384 PolarHBondContact NH2-OD1 2.88Å; R382-D384 IonicContact NH2-OD2 3.8Å; R382-D384 PolarHBondContact NH2-OD2 3.32Å; D384-P387 HydrophobicContact CB-CG 4.18Å; D384-P387 WeakPolarHBondContact O-CD 3.31Å
385Y98.6Very high97.8Very high13 Ų1354.7 Ų54.75%0.05128%0.275CS..Hα-helixtrans-72.5-42-177.4-61-22.2000112.2L383 I388 E389 F396 V418 D419 K421 G422 I423L383-Y385 HydrophobicContact CD2-CD1 4.36Å; L383-Y385 HydrophobicContact CD2-CE1 4.26Å; L383-Y385 HydrophobicContact CG-CD1 4.44Å; Y385-I388 PolarHBondContact O-N 3.15Å; Y385-E389 WeakPolarHBondContact O-CG 3.31Å; Y385-E389 PolarHBondContact O-N 3.49Å; Y385-F396 HydrophobicContact CD1-CB 4.31Å; Y385-F396 AromaticContact CD1-CD1 3.52Å; Y385-F396 HydrophobicContact CD1-CD1 3.52Å; Y385-F396 AromaticContact CD1-CD2 3.56Å; Y385-F396 HydrophobicContact CD1-CD2 3.56Å; Y385-F396 AromaticContact CD1-CE1 3.61Å; Y385-F396 HydrophobicContact CD1-CE1 3.61Å; Y385-F396 AromaticContact CD1-CE2 3.64Å; Y385-F396 HydrophobicContact CD1-CE2 3.64Å; Y385-F396 AromaticContact CD1-CG 3.51Å; Y385-F396 HydrophobicContact CD1-CG 3.51Å; Y385-F396 AromaticContact CD1-CZ 3.68Å; Y385-F396 HydrophobicContact CD1-CZ 3.68Å; Y385-F396 HydrophobicContact CD2-CB 4.14Å; Y385-F396 HydrophobicContact CD2-CD1 4.02Å; Y385-F396 HydrophobicContact CD2-CG 4.09Å; Y385-F396 AromaticContact CE1-CD1 3.43Å; Y385-F396 HydrophobicContact CE1-CD1 3.43Å; Y385-F396 VanDerWaalsContact CE1-CD1 3.43Å; Y385-F396 HydrophobicContact CE1-CD2 4.21Å; Y385-F396 AromaticContact CE1-CE1 3.19Å; Y385-F396 HydrophobicContact CE1-CE1 3.19Å; Y385-F396 HydrophobicContact CE1-CE2 4.01Å; Y385-F396 AromaticContact CE1-CG 3.96Å; Y385-F396 HydrophobicContact CE1-CG 3.96Å; Y385-F396 AromaticContact CE1-CZ 3.52Å; Y385-F396 HydrophobicContact CE1-CZ 3.52Å; Y385-F396 AromaticContact CE2-CD1 3.96Å; Y385-F396 HydrophobicContact CE2-CD1 3.96Å; Y385-F396 HydrophobicContact CE2-CE1 4.43Å; Y385-F396 HydrophobicContact CE2-CG 4.49Å; Y385-F396 HydrophobicContact CG-CB 3.88Å; Y385-F396 AromaticContact CG-CD1 3.83Å; Y385-F396 HydrophobicContact CG-CD1 3.83Å; Y385-F396 AromaticContact CG-CD2 3.93Å; Y385-F396 HydrophobicContact CG-CD2 3.93Å; Y385-F396 HydrophobicContact CG-CE1 4.38Å; Y385-F396 HydrophobicContact CG-CE2 4.47Å; Y385-F396 AromaticContact CG-CG 3.59Å; Y385-F396 HydrophobicContact CG-CG 3.59Å; Y385-F396 AromaticContact CZ-CD1 3.67Å; Y385-F396 AromaticContact CZ-CE1 3.68Å; Y385-V418 WeakPolarHBondContact OH-CG1 3.08Å; Y385-D419 WeakPolarHBondContact CE2-O 3.41Å; Y385-K421 WeakPolarHBondContact CB-O 3.44Å; Y385-K421 WeakPolarHBondContact CD2-O 3.39Å; Y385-K421 PolarHBondContact N-O 3.13Å; Y385-G422 PolarHBondContact OH-O 2.9Å; Y385-I423 HydrophobicContact CE1-CD1 4.15Å; Y385-I423 HydrophobicContact CE1-CG1 3.91Å; Y385-I423 WeakPolarHBondContact OH-CG1 3.48Å
386A98.3Very high97.9Very high64 Ų6451.8 Ų51.853%0.52926%0.262SS..Hα-helixtrans-55-41-171.700000114.8K390A386-K390 VanDerWaalsContact O-CB 3.24Å; A386-K390 WeakPolarHBondContact O-CB 3.4Å; A386-K390 PolarHBondContact O-N 3.12Å
387P97.6Very high97.9Very high76 Ų7652.5 Ų52.549%0.49427%0.27SS..Hα-helixtrans-60.3-43.3173-25.635.1000113.8D384 Q391D384-P387 HydrophobicContact CB-CG 4.18Å; D384-P387 WeakPolarHBondContact O-CD 3.31Å; P387-Q391 VanDerWaalsContact O-CB 3.27Å; P387-Q391 WeakPolarHBondContact O-CB 3.43Å; P387-Q391 PolarHBondContact O-N 3.21Å
388I98.3Very high97.9Very high12 Ų1258.1 Ų58.16%0.06230%0.3CS..Hα-helixtrans-68-46.8179-63-64000110.7I369 D372 V373 L383 Y385 K390 Q391 W392 F396I369-I388 HydrophobicContact CG2-CG2 4.03Å; D372-I388 HydrophobicContact CB-CD1 4.22Å; V373-I388 HydrophobicContact CG2-CD1 4.4Å; V373-I388 HydrophobicContact CG2-CG1 4.37Å; V373-I388 HydrophobicContact CG2-CG2 4.45Å; L383-I388 HydrophobicContact CD1-CG1 4.14Å; Y385-I388 PolarHBondContact O-N 3.15Å; I388-K390 VanDerWaalsContact C-N 3.31Å; I388-K390 PolarHBondContact O-N 2.97Å; I388-Q391 PolarHBondContact O-N 3.39Å; I388-W392 WeakPolarHBondContact O-CB 3.39Å; I388-W392 PolarHBondContact O-N 2.97Å; I388-F396 HydrophobicContact CG2-CD2 4.38Å
389E98.5Very high98Very high51 Ų5161.3 Ų61.324%0.23831%0.312CS..Hα-helixtrans-56.7-45.5177.1-69.2-175.4140.100111.5Y385 D393 L394 H395 F396Y385-E389 WeakPolarHBondContact O-CG 3.31Å; Y385-E389 PolarHBondContact O-N 3.49Å; E389-D393 VanDerWaalsContact O-CA 3.32Å; E389-D393 WeakPolarHBondContact O-CA 3.19Å; E389-D393 PolarHBondContact O-N 2.81Å; E389-L394 VanDerWaalsContact CA-O 3.31Å; E389-L394 WeakPolarHBondContact CA-O 3.41Å; E389-L394 WeakPolarHBondContact CB-O 3.4Å; E389-L394 HydrophobicContact CG-CD1 4.19Å; E389-L394 VanDerWaalsContact CG-O 3.31Å; E389-L394 WeakPolarHBondContact CG-O 3.32Å; E389-L394 PolarHBondContact O-N 3Å; E389-H395 IonicContact OE1-CD2 2.78Å; E389-H395 PolarHBondContact OE1-CD2 2.95Å; E389-F396 HydrophobicContact CG-CB 3.92Å; E389-F396 WeakPolarHBondContact OE1-CB 3.41Å; E389-F396 PolarHBondContact OE1-N 3.31Å
390K98.3Very high98.1Very high185 Ų18561.3 Ų61.380%0.80431%0.312SS*.Hα-helixtrans-67.6-46.3178.5-177-177.5178.1-1750112.6A386 I388 W392A386-K390 VanDerWaalsContact O-CB 3.24Å; A386-K390 WeakPolarHBondContact O-CB 3.4Å; A386-K390 PolarHBondContact O-N 3.12Å; I388-K390 VanDerWaalsContact C-N 3.31Å; I388-K390 PolarHBondContact O-N 2.97Å; K390-W392 VanDerWaalsContact C-N 3.31Å; K390-W392 PolarHBondContact O-N 3.44Å
391Q97.5Very high98.1Very high122 Ų12262.2 Ų62.257%0.5732%0.323SS*.Hα-helixtrans-65.9-37.9-176.2179.1178.9-11.200111.7P387 I388P387-Q391 VanDerWaalsContact O-CB 3.27Å; P387-Q391 WeakPolarHBondContact O-CB 3.43Å; P387-Q391 PolarHBondContact O-N 3.21Å; I388-Q391 PolarHBondContact O-N 3.39Å
392W98Very high98.1Very high45 Ų4565.6 Ų65.617%0.1734%0.339CS..Hα-helixtrans-105.7-4-171.2-66104.8000114.3R365 C368 I369 I388 K390 L394R365-W392 HydrophobicContact CG-CE3 4Å; R365-W392 HydrophobicContact CG-CZ3 4.03Å; R365-W392 PolarHBondContact NH2-O 3.35Å; C368-W392 HydrophobicContact CB-CH2 3.35Å; C368-W392 HydrophobicContact CB-CZ2 3.68Å; C368-W392 HydrophobicContact CB-CZ3 4.23Å; I369-W392 HydrophobicContact CB-CD2 4.48Å; I369-W392 HydrophobicContact CB-CG 4.49Å; I369-W392 HydrophobicContact CD1-CB 4.13Å; I369-W392 HydrophobicContact CD1-CD2 4.18Å; I369-W392 HydrophobicContact CD1-CE3 4.24Å; I369-W392 HydrophobicContact CD1-CG 4.16Å; I369-W392 HydrophobicContact CG1-CB 3.96Å; I369-W392 HydrophobicContact CG1-CD2 3.33Å; I369-W392 HydrophobicContact CG1-CE3 3.71Å; I369-W392 HydrophobicContact CG1-CG 3.46Å; I369-W392 VanDerWaalsContact CG1-CG 3.46Å; I369-W392 HydrophobicContact CG1-CZ2 4.37Å; I369-W392 HydrophobicContact CG1-CZ3 4.37Å; I388-W392 WeakPolarHBondContact O-CB 3.39Å; I388-W392 PolarHBondContact O-N 2.97Å; K390-W392 VanDerWaalsContact C-N 3.31Å; K390-W392 PolarHBondContact O-N 3.44Å; W392-L394 HydrophobicContact CB-CD2 3.71Å; W392-L394 HydrophobicContact CB-CG 4.26Å
393D98Very high98.2Very high148 Ų14860.8 Ų60.879%0.79132%0.321SS*.THydrogen-bonded Turntrans54.865.2-175.7-168.536.4000111.2R365 E389R365-D393 PolarHBondContact NH2-O 2.9Å; E389-D393 VanDerWaalsContact O-CA 3.32Å; E389-D393 WeakPolarHBondContact O-CA 3.19Å; E389-D393 PolarHBondContact O-N 2.81Å
394L98.1Very high98.1Very high25 Ų2562.6 Ų62.613%0.13133%0.33CS..  trans-145.5162.1177.766.585.4000111I369 E389 W392 Y399I369-L394 HydrophobicContact CD1-CD2 3.75Å; I369-L394 HydrophobicContact CG1-CD2 4.37Å; I369-L394 HydrophobicContact CG2-CD2 3.99Å; E389-L394 VanDerWaalsContact CA-O 3.31Å; E389-L394 WeakPolarHBondContact CA-O 3.41Å; E389-L394 WeakPolarHBondContact CB-O 3.4Å; E389-L394 HydrophobicContact CG-CD1 4.19Å; E389-L394 VanDerWaalsContact CG-O 3.31Å; E389-L394 WeakPolarHBondContact CG-O 3.32Å; E389-L394 PolarHBondContact O-N 3Å; W392-L394 HydrophobicContact CB-CD2 3.71Å; W392-L394 HydrophobicContact CB-CG 4.26Å; L394-Y399 HydrophobicContact CB-CD2 4.47Å; L394-Y399 HydrophobicContact CD1-CG 4.44Å; L394-Y399 HydrophobicContact CD2-CD1 4.15Å; L394-Y399 HydrophobicContact CD2-CD2 4.35Å; L394-Y399 HydrophobicContact CD2-CE1 4.45Å; L394-Y399 HydrophobicContact CD2-CG 4.08Å
395H98.2Very high98.1Very high104 Ų10466.8 Ų66.848%0.48135%0.345SS..  trans-103.5123.3167-179.5-122.3000109.3E389 A397 D398 Y399E389-H395 IonicContact OE1-CD2 2.78Å; E389-H395 PolarHBondContact OE1-CD2 2.95Å; H395-A397 PolarHBondContact O-N 2.98Å; H395-D398 IonicContact CE1-OD2 2.61Å; H395-D398 IonicContact CG-OD2 3.09Å; H395-D398 VanDerWaalsContact ND1-CG 3.3Å; H395-D398 IonicContact ND1-OD1 2.57Å; H395-D398 IonicContact ND1-OD2 3Å; H395-D398 PolarHBondContact ND1-OD2 3.33Å; H395-D398 PolarHBondContact O-N 2.87Å; H395-Y399 PolarHBondContact O-N 3.2Å
396F98.6Very high98Very high0 Ų069.7 Ų69.70%036%0.361CS..Hα-helixtrans-64.1-44.4-165-165.9-81.9000111.8V373 L383 Y385 I388 E389 D398 Y399 F400 L404 F440V373-F396 HydrophobicContact CG2-CE2 4.25Å; L383-F396 HydrophobicContact CD2-CE2 3.76Å; L383-F396 HydrophobicContact CD2-CZ 3.55Å; Y385-F396 HydrophobicContact CD1-CB 4.31Å; Y385-F396 AromaticContact CD1-CD1 3.52Å; Y385-F396 HydrophobicContact CD1-CD1 3.52Å; Y385-F396 AromaticContact CD1-CD2 3.56Å; Y385-F396 HydrophobicContact CD1-CD2 3.56Å; Y385-F396 AromaticContact CD1-CE1 3.61Å; Y385-F396 HydrophobicContact CD1-CE1 3.61Å; Y385-F396 AromaticContact CD1-CE2 3.64Å; Y385-F396 HydrophobicContact CD1-CE2 3.64Å; Y385-F396 AromaticContact CD1-CG 3.51Å; Y385-F396 HydrophobicContact CD1-CG 3.51Å; Y385-F396 AromaticContact CD1-CZ 3.68Å; Y385-F396 HydrophobicContact CD1-CZ 3.68Å; Y385-F396 HydrophobicContact CD2-CB 4.14Å; Y385-F396 HydrophobicContact CD2-CD1 4.02Å; Y385-F396 HydrophobicContact CD2-CG 4.09Å; Y385-F396 AromaticContact CE1-CD1 3.43Å; Y385-F396 HydrophobicContact CE1-CD1 3.43Å; Y385-F396 VanDerWaalsContact CE1-CD1 3.43Å; Y385-F396 HydrophobicContact CE1-CD2 4.21Å; Y385-F396 AromaticContact CE1-CE1 3.19Å; Y385-F396 HydrophobicContact CE1-CE1 3.19Å; Y385-F396 HydrophobicContact CE1-CE2 4.01Å; Y385-F396 AromaticContact CE1-CG 3.96Å; Y385-F396 HydrophobicContact CE1-CG 3.96Å; Y385-F396 AromaticContact CE1-CZ 3.52Å; Y385-F396 HydrophobicContact CE1-CZ 3.52Å; Y385-F396 AromaticContact CE2-CD1 3.96Å; Y385-F396 HydrophobicContact CE2-CD1 3.96Å; Y385-F396 HydrophobicContact CE2-CE1 4.43Å; Y385-F396 HydrophobicContact CE2-CG 4.49Å; Y385-F396 HydrophobicContact CG-CB 3.88Å; Y385-F396 AromaticContact CG-CD1 3.83Å; Y385-F396 HydrophobicContact CG-CD1 3.83Å; Y385-F396 AromaticContact CG-CD2 3.93Å; Y385-F396 HydrophobicContact CG-CD2 3.93Å; Y385-F396 HydrophobicContact CG-CE1 4.38Å; Y385-F396 HydrophobicContact CG-CE2 4.47Å; Y385-F396 AromaticContact CG-CG 3.59Å; Y385-F396 HydrophobicContact CG-CG 3.59Å; Y385-F396 AromaticContact CZ-CD1 3.67Å; Y385-F396 AromaticContact CZ-CE1 3.68Å; I388-F396 HydrophobicContact CG2-CD2 4.38Å; E389-F396 HydrophobicContact CG-CB 3.92Å; E389-F396 WeakPolarHBondContact OE1-CB 3.41Å; E389-F396 PolarHBondContact OE1-N 3.31Å; F396-D398 PolarHBondContact O-N 2.99Å; F396-Y399 PolarHBondContact O-N 3.35Å; F396-F400 HydrophobicContact CD1-CB 4.21Å; F396-F400 AromaticContact CD1-CD2 3.9Å; F396-F400 HydrophobicContact CD1-CD2 3.9Å; F396-F400 HydrophobicContact CD1-CG 4.45Å; F396-F400 AromaticContact CD2-CD2 3.56Å; F396-F400 HydrophobicContact CD2-CD2 3.56Å; F396-F400 AromaticContact CD2-CE2 3.76Å; F396-F400 HydrophobicContact CD2-CE2 3.76Å; F396-F400 HydrophobicContact CE1-CB 3.91Å; F396-F400 AromaticContact CE1-CD2 3.74Å; F396-F400 HydrophobicContact CE1-CD2 3.74Å; F396-F400 HydrophobicContact CE1-CG 4.05Å; F396-F400 AromaticContact CE2-CD2 3.4Å; F396-F400 HydrophobicContact CE2-CD2 3.4Å; F396-F400 AromaticContact CE2-CE2 3.47Å; F396-F400 HydrophobicContact CE2-CE2 3.47Å; F396-F400 VanDerWaalsContact CE2-CE2 3.47Å; F396-F400 HydrophobicContact CE2-CG 4.33Å; F396-F400 HydrophobicContact CE2-CZ 4.44Å; F396-F400 AromaticContact CG-CD2 3.8Å; F396-F400 HydrophobicContact CG-CD2 3.8Å; F396-F400 HydrophobicContact CG-CE2 4.45Å; F396-F400 HydrophobicContact CZ-CB 4.34Å; F396-F400 AromaticContact CZ-CD2 3.48Å; F396-F400 HydrophobicContact CZ-CD2 3.48Å; F396-F400 VanDerWaalsContact CZ-CD2 3.48Å; F396-F400 AromaticContact CZ-CE2 3.93Å; F396-F400 HydrophobicContact CZ-CE2 3.93Å; F396-F400 AromaticContact CZ-CG 3.98Å; F396-F400 HydrophobicContact CZ-CG 3.98Å; F396-F400 WeakPolarHBondContact O-CB 3.24Å; F396-F400 PolarHBondContact O-N 3.47Å; F396-L404 HydrophobicContact CD1-CD1 4.49Å; F396-L404 HydrophobicContact CE1-CD2 4.29Å; F396-F440 HydrophobicContact CZ-CE1 4.17Å
397A97.7Very high98Very high47 Ų4766.8 Ų66.839%0.38834%0.336SS..Hα-helixtrans-62.7-32.1-177.300000112.7H395 A401H395-A397 PolarHBondContact O-N 2.98Å; A397-A401 WeakPolarHBondContact O-CA 3.46Å; A397-A401 WeakPolarHBondContact O-CB 3.23Å; A397-A401 PolarHBondContact O-N 3.23Å
398D98.2Very high98.1Very high118 Ų11865.7 Ų65.763%0.63133%0.334SS*.Hα-helixtrans-81.7-48.2179.2-62.6-31.8000111.1H395 F396 F400 A401H395-D398 IonicContact CE1-OD2 2.61Å; H395-D398 IonicContact CG-OD2 3.09Å; H395-D398 VanDerWaalsContact ND1-CG 3.3Å; H395-D398 IonicContact ND1-OD1 2.57Å; H395-D398 IonicContact ND1-OD2 3Å; H395-D398 PolarHBondContact ND1-OD2 3.33Å; H395-D398 PolarHBondContact O-N 2.87Å; F396-D398 PolarHBondContact O-N 2.99Å; D398-F400 VanDerWaalsContact C-N 3.33Å; D398-F400 PolarHBondContact O-N 2.98Å; D398-A401 WeakPolarHBondContact O-CB 3.41Å; D398-A401 PolarHBondContact O-N 3.18Å
399Y98.5Very high98Very high71 Ų7168.4 Ų68.428%0.27835%0.352SS..Hα-helixtrans-64.9-38.9-177.1-163.9-95000112.1D366 I369 L394 H395 F396D366-Y399 WeakPolarHBondContact CA-OH 3.44Å; D366-Y399 WeakPolarHBondContact CB-OH 3.26Å; D366-Y399 WeakPolarHBondContact OD1-CE1 3.34Å; D366-Y399 PolarHBondContact OD1-OH 3.19Å; I369-Y399 HydrophobicContact CD1-CE1 4.03Å; I369-Y399 HydrophobicContact CG2-CE1 4.39Å; L394-Y399 HydrophobicContact CB-CD2 4.47Å; L394-Y399 HydrophobicContact CD1-CG 4.44Å; L394-Y399 HydrophobicContact CD2-CD1 4.15Å; L394-Y399 HydrophobicContact CD2-CD2 4.35Å; L394-Y399 HydrophobicContact CD2-CE1 4.45Å; L394-Y399 HydrophobicContact CD2-CG 4.08Å; H395-Y399 PolarHBondContact O-N 3.2Å; F396-Y399 PolarHBondContact O-N 3.35Å
400F98.5Very high98Very high0 Ų066.4 Ų66.40%034%0.343CS..THydrogen-bonded Turntrans-102.420.7-179.4-67.1-71.3000113.3I369 R370 V373 F396 D398 E402 D403 L404 F440I369-F400 HydrophobicContact CG2-CE2 4.07Å; I369-F400 HydrophobicContact CG2-CZ 3.64Å; R370-F400 HydrophobicContact CG-CE1 4Å; R370-F400 HydrophobicContact CG-CZ 4.49Å; V373-F400 HydrophobicContact CG2-CE2 4.26Å; V373-F400 HydrophobicContact CG2-CZ 3.91Å; F396-F400 HydrophobicContact CD1-CB 4.21Å; F396-F400 AromaticContact CD1-CD2 3.9Å; F396-F400 HydrophobicContact CD1-CD2 3.9Å; F396-F400 HydrophobicContact CD1-CG 4.45Å; F396-F400 AromaticContact CD2-CD2 3.56Å; F396-F400 HydrophobicContact CD2-CD2 3.56Å; F396-F400 AromaticContact CD2-CE2 3.76Å; F396-F400 HydrophobicContact CD2-CE2 3.76Å; F396-F400 HydrophobicContact CE1-CB 3.91Å; F396-F400 AromaticContact CE1-CD2 3.74Å; F396-F400 HydrophobicContact CE1-CD2 3.74Å; F396-F400 HydrophobicContact CE1-CG 4.05Å; F396-F400 AromaticContact CE2-CD2 3.4Å; F396-F400 HydrophobicContact CE2-CD2 3.4Å; F396-F400 AromaticContact CE2-CE2 3.47Å; F396-F400 HydrophobicContact CE2-CE2 3.47Å; F396-F400 VanDerWaalsContact CE2-CE2 3.47Å; F396-F400 HydrophobicContact CE2-CG 4.33Å; F396-F400 HydrophobicContact CE2-CZ 4.44Å; F396-F400 AromaticContact CG-CD2 3.8Å; F396-F400 HydrophobicContact CG-CD2 3.8Å; F396-F400 HydrophobicContact CG-CE2 4.45Å; F396-F400 HydrophobicContact CZ-CB 4.34Å; F396-F400 AromaticContact CZ-CD2 3.48Å; F396-F400 HydrophobicContact CZ-CD2 3.48Å; F396-F400 VanDerWaalsContact CZ-CD2 3.48Å; F396-F400 AromaticContact CZ-CE2 3.93Å; F396-F400 HydrophobicContact CZ-CE2 3.93Å; F396-F400 AromaticContact CZ-CG 3.98Å; F396-F400 HydrophobicContact CZ-CG 3.98Å; F396-F400 WeakPolarHBondContact O-CB 3.24Å; F396-F400 PolarHBondContact O-N 3.47Å; D398-F400 VanDerWaalsContact C-N 3.33Å; D398-F400 PolarHBondContact O-N 2.98Å; F400-E402 VanDerWaalsContact C-N 3.26Å; F400-E402 PolarHBondContact O-N 3.46Å; F400-D403 WeakPolarHBondContact CA-OD2 3.46Å; F400-D403 HydrophobicContact CB-CB 4.14Å; F400-D403 HydrophobicContact CD1-CB 4.16Å; F400-D403 WeakPolarHBondContact O-CB 3.38Å; F400-D403 PolarHBondContact O-N 3.38Å; F400-L404 HydrophobicContact CB-CG 4.43Å; F400-L404 WeakPolarHBondContact O-CG 3.19Å; F400-L404 PolarHBondContact O-N 2.98Å; F400-F440 HydrophobicContact CB-CE1 4.41Å; F400-F440 AromaticContact CD1-CD1 3.71Å; F400-F440 HydrophobicContact CD1-CD1 3.71Å; F400-F440 AromaticContact CD1-CE1 3.99Å; F400-F440 HydrophobicContact CD1-CE1 3.99Å; F400-F440 AromaticContact CE1-CD1 3.97Å; F400-F440 HydrophobicContact CE1-CD1 3.97Å; F400-F440 HydrophobicContact CG-CD1 4.43Å; F400-F440 HydrophobicContact CG-CE1 4.25Å
401A98.3Very high98Very high41 Ų4159 Ų5934%0.33932%0.317SS..Hα-helixtrans-56.1-37.6-175.800000113.6A397 D398 K405A397-A401 WeakPolarHBondContact O-CA 3.46Å; A397-A401 WeakPolarHBondContact O-CB 3.23Å; A397-A401 PolarHBondContact O-N 3.23Å; D398-A401 WeakPolarHBondContact O-CB 3.41Å; D398-A401 PolarHBondContact O-N 3.18Å; A401-K405 VanDerWaalsContact O-CG 3.32Å; A401-K405 WeakPolarHBondContact O-CG 3.34Å; A401-K405 PolarHBondContact O-N 2.83Å
402E97.3Very high98Very high78 Ų7862.3 Ų62.336%0.36433%0.329SS..Hα-helixtrans-73.9-39.9176.1-170.5179.2-170.800111.8F400 K405 L406 R445 R449F400-E402 VanDerWaalsContact C-N 3.26Å; F400-E402 PolarHBondContact O-N 3.46Å; E402-K405 WeakPolarHBondContact O-CB 3.42Å; E402-K405 PolarHBondContact O-N 2.77Å; E402-L406 PolarHBondContact O-N 3.37Å; E402-L406 VanDerWaalsContact O-N 3.13Å; E402-R445 VanDerWaalsContact CG-NH1 3.29Å; E402-R445 WeakPolarHBondContact OE1-CD 3.35Å; E402-R445 IonicContact OE1-NH1 2.7Å; E402-R445 IonicContact OE2-CZ 2.69Å; E402-R445 IonicContact OE2-NH1 3.67Å; E402-R445 PolarHBondContact OE2-NH1 3.32Å; E402-R449 IonicContact OE1-CZ 3.32Å; E402-R449 IonicContact OE1-NH2 3.87Å; E402-R449 PolarHBondContact OE1-NH2 3.38Å; E402-R449 IonicContact OE2-NH2 3.79Å; E402-R449 PolarHBondContact OE2-NH2 2.99Å
403D98.1Very high98Very high2 Ų262.3 Ų62.31%0.01133%0.332CS..Hα-helixtrans-64-42.4179.5-49.6-92.6000111.4R370 F400 K405 L406 L407 F440 R445R370-D403 IonicContact CZ-OD1 2.75Å; R370-D403 IonicContact CZ-OD2 3.71Å; R370-D403 IonicContact NH1-OD1 3.27Å; R370-D403 PolarHBondContact NH1-OD1 2.91Å; R370-D403 IonicContact NH1-OD2 3.48Å; R370-D403 IonicContact NH2-OD1 2.82Å; R370-D403 PolarHBondContact NH2-OD1 3.31Å; R370-D403 IonicContact NH2-OD2 2.97Å; R370-D403 PolarHBondContact NH2-OD2 3.26Å; R370-D403 VanDerWaalsContact NH2-OD2 3.12Å; F400-D403 WeakPolarHBondContact CA-OD2 3.46Å; F400-D403 HydrophobicContact CB-CB 4.14Å; F400-D403 HydrophobicContact CD1-CB 4.16Å; F400-D403 WeakPolarHBondContact O-CB 3.38Å; F400-D403 PolarHBondContact O-N 3.38Å; D403-K405 VanDerWaalsContact C-N 3.3Å; D403-K405 PolarHBondContact O-N 2.68Å; D403-L406 CarbonylContact O-C 3.6Å; D403-L406 WeakPolarHBondContact O-CB 3.35Å; D403-L406 PolarHBondContact O-N 3.14Å; D403-L406 VanDerWaalsContact O-N 3.11Å; D403-L407 WeakPolarHBondContact O-CB 3.43Å; D403-L407 PolarHBondContact O-N 3Å; D403-F440 HydrophobicContact CB-CD1 3.71Å; D403-F440 HydrophobicContact CB-CE1 3.81Å; D403-F440 HydrophobicContact CB-CG 4.45Å; D403-F440 WeakPolarHBondContact OD1-CA 3.5Å; D403-R445 IonicContact OD1-CZ 2.67Å; D403-R445 IonicContact OD1-NH1 2.61Å; D403-R445 IonicContact OD1-NH2 3.24Å; D403-R445 PolarHBondContact OD1-NH2 3.41Å; D403-R445 IonicContact OD2-NH1 3.11Å
404L98.2Very high98Very high41 Ų4156.6 Ų56.622%0.21531%0.308CS..Hα-helixtrans-64.3-33.2175.3-69.3175.6000112.2F396 F400 L407 A408F396-L404 HydrophobicContact CD1-CD1 4.49Å; F396-L404 HydrophobicContact CE1-CD2 4.29Å; F400-L404 HydrophobicContact CB-CG 4.43Å; F400-L404 WeakPolarHBondContact O-CG 3.19Å; F400-L404 PolarHBondContact O-N 2.98Å; L404-L407 HydrophobicContact CD2-CD2 4.3Å; L404-L407 PolarHBondContact O-N 3.12Å; L404-A408 PolarHBondContact O-N 2.7Å
405K97.7Very high98Very high159 Ų15955.4 Ų55.469%0.69130%0.302SS*.Hα-helixtrans-65.8-38.5171.8-71.5170.1-171.7175.50111.8A401 E402 D403 L407 P409A401-K405 VanDerWaalsContact O-CG 3.32Å; A401-K405 WeakPolarHBondContact O-CG 3.34Å; A401-K405 PolarHBondContact O-N 2.83Å; E402-K405 WeakPolarHBondContact O-CB 3.42Å; E402-K405 PolarHBondContact O-N 2.77Å; D403-K405 VanDerWaalsContact C-N 3.3Å; D403-K405 PolarHBondContact O-N 2.68Å; K405-L407 VanDerWaalsContact C-N 3.3Å; K405-P409 WeakPolarHBondContact O-CD 3.24Å
406L96.8Very high98Very high75 Ų7550.5 Ų50.539%0.39328%0.28SS..Hα-helixtrans-69.6-29.7174.4-65.8176000112.2E402 D403 P409 C439E402-L406 PolarHBondContact O-N 3.37Å; E402-L406 VanDerWaalsContact O-N 3.13Å; D403-L406 CarbonylContact O-C 3.6Å; D403-L406 WeakPolarHBondContact O-CB 3.35Å; D403-L406 PolarHBondContact O-N 3.14Å; D403-L406 VanDerWaalsContact O-N 3.11Å; L406-P409 WeakPolarHBondContact O-CD 3.45Å; L406-C439 HydrophobicContact CB-CB 4.12Å
407L98Very high98Very high2 Ų255.5 Ų55.51%0.0131%0.306CS..Hα-helixtrans-77.7-29.1178.5-168.964.9000113D403 L404 K405 L410 A411 V416 V418 I423 I436 C439 F440D403-L407 WeakPolarHBondContact O-CB 3.43Å; D403-L407 PolarHBondContact O-N 3Å; L404-L407 HydrophobicContact CD2-CD2 4.3Å; L404-L407 PolarHBondContact O-N 3.12Å; K405-L407 VanDerWaalsContact C-N 3.3Å; L407-L410 HydrophobicContact CD1-CB 4.38Å; L407-L410 HydrophobicContact CD1-CD2 4.44Å; L407-L410 WeakPolarHBondContact O-CA 3Å; L407-L410 WeakPolarHBondContact O-CB 3.35Å; L407-L410 PolarHBondContact O-N 3.15Å; L407-A411 PolarHBondContact O-N 3.48Å; L407-V416 HydrophobicContact CD1-CG2 3.95Å; L407-V416 HydrophobicContact CD2-CG2 4.35Å; L407-V416 HydrophobicContact CG-CG2 4.05Å; L407-V418 HydrophobicContact CD2-CG2 3.89Å; L407-I423 HydrophobicContact CD2-CD1 3.63Å; L407-I423 HydrophobicContact CD2-CG1 4.18Å; L407-I436 HydrophobicContact CD1-CG2 4.05Å; L407-C439 HydrophobicContact CB-CB 4.44Å; L407-C439 HydrophobicContact CD1-CB 4.48Å; L407-F440 HydrophobicContact CD2-CZ 4.36Å
408A98.3Very high98Very high54 Ų5456.1 Ų56.145%0.44631%0.305SS..Hα-helixtrans-53.4-40.9-174.800000115.2L404 L410 A411 K412L404-A408 PolarHBondContact O-N 2.7Å; A408-L410 PolarHBondContact O-N 3.44Å; A408-A411 PolarHBondContact O-N 3.43Å; A408-K412 WeakPolarHBondContact O-CB 3.49Å; A408-K412 PolarHBondContact O-N 3.43Å
409P97.6Very high98Very high68 Ų6854.5 Ų54.544%0.44230%0.297SS..Hα-helixtrans-63.1-38.3173.1-21.933.7000113.3K405 L406 K412 D413K405-P409 WeakPolarHBondContact O-CD 3.24Å; L406-P409 WeakPolarHBondContact O-CD 3.45Å; P409-K412 PolarHBondContact O-N 3.39Å; P409-D413 PolarHBondContact O-N 2.66Å
410L98Very high97.9Very high10 Ų1058.4 Ų58.45%0.05232%0.317CS..Hα-helixtrans-69.1-38.5178.1-76.768.7000110.7Y16 L407 A408 D413 G414 L415 N435 I436Y16-L410 HydrophobicContact CE1-CD1 3.81Å; Y16-L410 HydrophobicContact CE1-CG 3.91Å; Y16-L410 WeakPolarHBondContact OH-CD1 3.49Å; L407-L410 HydrophobicContact CD1-CB 4.38Å; L407-L410 HydrophobicContact CD1-CD2 4.44Å; L407-L410 WeakPolarHBondContact O-CA 3Å; L407-L410 WeakPolarHBondContact O-CB 3.35Å; L407-L410 PolarHBondContact O-N 3.15Å; A408-L410 PolarHBondContact O-N 3.44Å; L410-D413 PolarHBondContact O-N 3.07Å; L410-G414 PolarHBondContact O-N 2.86Å; L410-L415 HydrophobicContact CB-CB 4.36Å; L410-L415 HydrophobicContact CB-CD2 4.24Å; L410-L415 HydrophobicContact CD2-CD2 4.15Å; L410-L415 HydrophobicContact CG-CD2 4.07Å; L410-L415 WeakPolarHBondContact O-CB 3.36Å; L410-L415 PolarHBondContact O-N 2.93Å; L410-N435 HydrophobicContact CD2-CB 4.3Å; L410-I436 HydrophobicContact CD2-CG1 4Å
411A98.2Very high97.8Very high30 Ų3065.2 Ų65.225%0.24835%0.347CS..Hα-helixtrans-63.4-43.6173.200000111.5L407 A408 D413 G414 V416 V418L407-A411 PolarHBondContact O-N 3.48Å; A408-A411 PolarHBondContact O-N 3.43Å; A411-D413 PolarHBondContact O-N 3.28Å; A411-G414 WeakPolarHBondContact O-CA 3.3Å; A411-G414 PolarHBondContact O-N 3.03Å; A411-V416 WeakPolarHBondContact CA-O 3.38Å; A411-V416 HydrophobicContact CB-CG2 3.78Å; A411-V418 HydrophobicContact CB-CG2 4.17Å
412K98Very high97.8Very high190 Ų19063.6 Ų63.683%0.82634%0.335SS*.Hα-helixtrans-61.6-32.9175.9-176.7177.7177.6-179.20112.8A408 P409 G414A408-K412 WeakPolarHBondContact O-CB 3.49Å; A408-K412 PolarHBondContact O-N 3.43Å; P409-K412 PolarHBondContact O-N 3.39Å; K412-G414 PolarHBondContact O-N 3.29Å
413D97.9Very high97.9Very high45 Ų4560.1 Ų60.124%0.24132%0.318CS..THydrogen-bonded Turntrans-79.7-0.2174.2-76-23.9000113.4L12 K15 Y16 P409 L410 A411 L415L12-D413 HydrophobicContact CD2-CB 3.79Å; K15-D413 VanDerWaalsContact CE-OD2 3.27Å; K15-D413 WeakPolarHBondContact CE-OD2 3.37Å; K15-D413 IonicContact NZ-OD1 2.98Å; K15-D413 PolarHBondContact NZ-OD1 2.81Å; K15-D413 IonicContact NZ-OD2 3.85Å; K15-D413 PolarHBondContact NZ-OD2 3.18Å; Y16-D413 HydrophobicContact CE2-CB 4.47Å; Y16-D413 WeakPolarHBondContact CE2-OD2 3.47Å; Y16-D413 PolarHBondContact OH-OD2 3.05Å; P409-D413 PolarHBondContact O-N 2.66Å; L410-D413 PolarHBondContact O-N 3.07Å; A411-D413 PolarHBondContact O-N 3.28Å; D413-L415 HydrophobicContact CB-CD1 3.76Å
414G97.8Very high97.9Very high28 Ų2863.5 Ų63.529%0.28933%0.334SS..THydrogen-bonded Turntrans78.219.2176.100000114.9L410 A411 K412 T426L410-G414 PolarHBondContact O-N 2.86Å; A411-G414 WeakPolarHBondContact O-CA 3.3Å; A411-G414 PolarHBondContact O-N 3.03Å; K412-G414 PolarHBondContact O-N 3.29Å; G414-T426 WeakPolarHBondContact O-CB 3.4Å; G414-T426 WeakPolarHBondContact O-CG2 3.37Å; G414-T426 PolarHBondContact O-OG1 3.26Å
415L97.5Very high97.9Very high0 Ų061.6 Ų61.60%032%0.324CS..SBendtrans-75.6-29175-82.364.8000112L12 Y16 L410 D413 T426 G429 L432 I436L12-L415 HydrophobicContact CD1-CD1 3.85Å; L12-L415 HydrophobicContact CD2-CD1 4Å; L12-L415 HydrophobicContact CG-CD1 4.37Å; Y16-L415 HydrophobicContact CD2-CD2 4.13Å; Y16-L415 HydrophobicContact CE2-CD1 4.19Å; Y16-L415 HydrophobicContact CE2-CD2 4.06Å; L410-L415 HydrophobicContact CB-CB 4.36Å; L410-L415 HydrophobicContact CB-CD2 4.24Å; L410-L415 HydrophobicContact CD2-CD2 4.15Å; L410-L415 HydrophobicContact CG-CD2 4.07Å; L410-L415 WeakPolarHBondContact O-CB 3.36Å; L410-L415 PolarHBondContact O-N 2.93Å; D413-L415 HydrophobicContact CB-CD1 3.76Å; L415-T426 PolarHBondContact O-N 2.95Å; L415-T426 PolarHBondContact O-OG1 2.95Å; L415-G429 WeakPolarHBondContact O-CA 3.45Å; L415-L432 HydrophobicContact CD1-CD1 4.42Å; L415-L432 HydrophobicContact CD2-CB 3.87Å; L415-L432 HydrophobicContact CD2-CD1 3.68Å; L415-L432 HydrophobicContact CD2-CG 4.44Å; L415-L432 HydrophobicContact CG-CD1 4.07Å; L415-I436 HydrophobicContact CB-CD1 4.41Å
416V98.4Very high97.9Very high1 Ų154.9 Ų54.91%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-141.5141.8179.8-67.80000109.6L407 A411 V418 I423 Q424 V425 I436L407-V416 HydrophobicContact CD1-CG2 3.95Å; L407-V416 HydrophobicContact CD2-CG2 4.35Å; L407-V416 HydrophobicContact CG-CG2 4.05Å; A411-V416 WeakPolarHBondContact CA-O 3.38Å; A411-V416 HydrophobicContact CB-CG2 3.78Å; V416-V418 HydrophobicContact CB-CG2 4.05Å; V416-V418 HydrophobicContact CG2-CG2 3.58Å; V416-I423 HydrophobicContact CB-CG2 3.97Å; V416-I423 HydrophobicContact CG1-CG2 3.9Å; V416-Q424 CarbonylContact C-O 3.56Å; V416-Q424 VanDerWaalsContact CA-O 3.3Å; V416-Q424 WeakPolarHBondContact CA-O 3.42Å; V416-V425 HydrophobicContact CG1-CG2 4.22Å; V416-I436 HydrophobicContact CG1-CD1 3.56Å; V416-I436 HydrophobicContact CG1-CG1 3.98Å; V416-I436 HydrophobicContact CG1-CG2 4.05Å
417D98.4Very high97.8Very high105 Ų10552.2 Ų52.256%0.56129%0.285SS*.EExtended strand (participates in β ladder)trans-93.1125.4162.1-61.8-45.7000107.3Q424D417-Q424 HydrophobicContact CB-CB 4.45Å; D417-Q424 PolarHBondContact N-O 3.4Å; D417-Q424 PolarHBondContact O-N 2.78Å
418V98.2Very high97.6Very high60 Ų6055.1 Ų55.136%0.36430%0.298SS..EExtended strand (participates in β ladder)trans-128.9130.3-175.5-173.80000108.9Y385 L407 A411 V416 I423Y385-V418 WeakPolarHBondContact OH-CG1 3.08Å; L407-V418 HydrophobicContact CD2-CG2 3.89Å; A411-V418 HydrophobicContact CB-CG2 4.17Å; V416-V418 HydrophobicContact CB-CG2 4.05Å; V416-V418 HydrophobicContact CG2-CG2 3.58Å; V418-I423 HydrophobicContact CG1-CG1 4.1Å; V418-I423 HydrophobicContact CG2-CG1 4.15Å; V418-I423 HydrophobicContact CG2-CG2 4.24Å
419D97.5Very high97.4Very high85 Ų8552.6 Ų52.646%0.45528%0.277SS..  trans-135.1-168.8175.168.615.5000110.9Y385 K421 G422Y385-D419 WeakPolarHBondContact CE2-O 3.41Å; D419-K421 PolarHBondContact O-N 3.42Å; D419-K421 WeakPolarHBondContact OD1-CA 3.49Å; D419-K421 WeakPolarHBondContact OD1-CB 3.4Å; D419-K421 PolarHBondContact OD1-N 2.84Å; D419-G422 PolarHBondContact N-O 3.3Å; D419-G422 VanDerWaalsContact N-O 3.13Å; D419-G422 PolarHBondContact OD1-N 3.38Å
420E96.8Very high97.3Very high152 Ų15250 Ų5071%0.7126%0.258SS*.SBendtrans-70.7-8.5178.971.2-74.5171.900114.6
421K97.8Very high97Very high143 Ų14351 Ų5162%0.62226%0.264SS*.SBendtrans-111.2-26.8-175.2-58.4-179.2-173.8169.70113.1Y385 D419Y385-K421 WeakPolarHBondContact CB-O 3.44Å; Y385-K421 WeakPolarHBondContact CD2-O 3.39Å; Y385-K421 PolarHBondContact N-O 3.13Å; D419-K421 PolarHBondContact O-N 3.42Å; D419-K421 WeakPolarHBondContact OD1-CA 3.49Å; D419-K421 WeakPolarHBondContact OD1-CB 3.4Å; D419-K421 PolarHBondContact OD1-N 2.84Å
422G98.4Very high96.9Very high8 Ų850.1 Ų50.18%0.08226%0.255CS..EExtended strand (participates in β ladder)trans-177.4-172.1-176.600000116.1L383 Y385 D419L383-G422 CarbonylContact O-C 3.42Å; L383-G422 WeakPolarHBondContact O-CA 3.43Å; Y385-G422 PolarHBondContact OH-O 2.9Å; D419-G422 PolarHBondContact N-O 3.3Å; D419-G422 VanDerWaalsContact N-O 3.13Å; D419-G422 PolarHBondContact OD1-N 3.38Å
423I98.7Very high96.7Very high4 Ų441.1 Ų41.12%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-123.9126.1174.4-59.1167000107.5L377 R382 L383 Y385 L407 V416 V418 F440L377-I423 HydrophobicContact CD2-CB 4.49Å; L377-I423 HydrophobicContact CD2-CG2 4.18Å; R382-I423 CarbonylContact C-O 3.56Å; R382-I423 VanDerWaalsContact CA-O 3.22Å; R382-I423 WeakPolarHBondContact CA-O 3.45Å; L383-I423 HydrophobicContact CB-CB 4.31Å; L383-I423 HydrophobicContact CD2-CD1 4.13Å; L383-I423 PolarHBondContact N-O 2.91Å; L383-I423 PolarHBondContact O-N 3.24Å; Y385-I423 HydrophobicContact CE1-CD1 4.15Å; Y385-I423 HydrophobicContact CE1-CG1 3.91Å; Y385-I423 WeakPolarHBondContact OH-CG1 3.48Å; L407-I423 HydrophobicContact CD2-CD1 3.63Å; L407-I423 HydrophobicContact CD2-CG1 4.18Å; V416-I423 HydrophobicContact CB-CG2 3.97Å; V416-I423 HydrophobicContact CG1-CG2 3.9Å; V418-I423 HydrophobicContact CG1-CG1 4.1Å; V418-I423 HydrophobicContact CG2-CG1 4.15Å; V418-I423 HydrophobicContact CG2-CG2 4.24Å; I423-F440 HydrophobicContact CD1-CE2 4.25Å; I423-F440 HydrophobicContact CD1-CZ 3.7Å
424Q98.3Very high96.6Very high73 Ų7342 Ų4234%0.34122%0.215SC..EExtended strand (participates in β ladder)trans-111120.9168.8179.157.965.300108.7F381 V416 D417 T426F381-Q424 PolarHBondContact O-NE2 2.64Å; V416-Q424 CarbonylContact C-O 3.56Å; V416-Q424 VanDerWaalsContact CA-O 3.3Å; V416-Q424 WeakPolarHBondContact CA-O 3.42Å; D417-Q424 HydrophobicContact CB-CB 4.45Å; D417-Q424 PolarHBondContact N-O 3.4Å; D417-Q424 PolarHBondContact O-N 2.78Å; Q424-T426 PolarHBondContact O-N 3.37Å
425V98Very high96.5Very high2 Ų241.4 Ų41.41%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-73.9126.6172.5-175.80000108.3L377 F381 V416 R430 I433 I436L377-V425 HydrophobicContact CD2-CG2 4.22Å; F381-V425 HydrophobicContact CB-CB 4.06Å; F381-V425 HydrophobicContact CB-CG2 4.44Å; F381-V425 HydrophobicContact CD1-CB 4.16Å; F381-V425 HydrophobicContact CD1-CG1 4.02Å; F381-V425 VanDerWaalsContact O-CB 3.28Å; F381-V425 WeakPolarHBondContact O-CB 3.48Å; F381-V425 WeakPolarHBondContact O-CG2 3.3Å; F381-V425 PolarHBondContact O-N 2.79Å; V416-V425 HydrophobicContact CG1-CG2 4.22Å; V425-R430 HydrophobicContact CG1-CG 4.27Å; V425-I433 HydrophobicContact CG1-CD1 4.47Å; V425-I433 HydrophobicContact CG2-CD1 3.89Å; V425-I436 HydrophobicContact CG1-CD1 3.73Å; V425-I436 HydrophobicContact CG2-CD1 4.14Å
426T97.1Very high96.5Very high17 Ų1741.4 Ų41.410%0.10421%0.206CC..  trans-77.3167.3-178.170.40000110.9G414 L415 Q424 K428 G429 R430G414-T426 WeakPolarHBondContact O-CB 3.4Å; G414-T426 WeakPolarHBondContact O-CG2 3.37Å; G414-T426 PolarHBondContact O-OG1 3.26Å; L415-T426 PolarHBondContact O-N 2.95Å; L415-T426 PolarHBondContact O-OG1 2.95Å; Q424-T426 PolarHBondContact O-N 3.37Å; T426-K428 PolarHBondContact O-N 3.37Å; T426-K428 PolarHBondContact OG1-N 3.31Å; T426-G429 PolarHBondContact O-N 3Å; T426-G429 PolarHBondContact OG1-N 3.4Å; T426-G429 VanDerWaalsContact OG1-N 3.14Å; T426-R430 WeakPolarHBondContact O-CG 3.49Å; T426-R430 PolarHBondContact O-N 3.16Å
427A94.1Very high96.5Very high19 Ų1941.4 Ų41.416%0.15721%0.205CC..THydrogen-bonded Turntrans-52.2-37.517200000113.1Q5 D7Q5-A427 WeakPolarHBondContact O-CB 3.32Å; D7-A427 HydrophobicContact CB-CB 3.82Å; D7-A427 PolarHBondContact N-O 3.47Å
428K93.8Very high96.4Very high64 Ų6437.6 Ų37.628%0.27819%0.185SC..THydrogen-bonded Turntrans-71.4-36.5175.7-66.4-179.4179-68.50112.3D7 D9 L12 T426D7-K428 HydrophobicContact CB-CG 3.88Å; D7-K428 WeakPolarHBondContact OD2-CE 3.3Å; D7-K428 VanDerWaalsContact OD2-CG 3.24Å; D7-K428 WeakPolarHBondContact OD2-CG 3.38Å; D7-K428 IonicContact OD2-NZ 3.79Å; D7-K428 PolarHBondContact OD2-NZ 2.57Å; D9-K428 HydrophobicContact CB-CD 4.4Å; D9-K428 HydrophobicContact CB-CG 4.43Å; D9-K428 IonicContact OD2-NZ 3.74Å; D9-K428 PolarHBondContact OD2-NZ 3.3Å; L12-K428 HydrophobicContact CD1-CB 4.38Å; L12-K428 HydrophobicContact CD1-CD 4.07Å; T426-K428 PolarHBondContact O-N 3.37Å; T426-K428 PolarHBondContact OG1-N 3.31Å
429G95.5Very high96.3Very high0 Ų035.2 Ų35.20%017%0.17CC..G310 helixtrans-74-20.9-177.200000115.5L415 T426 L431 L432 I433L415-G429 WeakPolarHBondContact O-CA 3.45Å; T426-G429 PolarHBondContact O-N 3Å; T426-G429 PolarHBondContact OG1-N 3.4Å; T426-G429 VanDerWaalsContact OG1-N 3.14Å; G429-L431 VanDerWaalsContact C-N 3.3Å; G429-L431 PolarHBondContact O-N 3.35Å; G429-L432 CarbonylContact O-C 3.5Å; G429-L432 WeakPolarHBondContact O-CA 3.43Å; G429-L432 PolarHBondContact O-N 3.42Å; G429-I433 PolarHBondContact O-N 3.27Å
430R94.9Very high96.4Very high15 Ų1531.1 Ų31.16%0.05715%0.149CC..G310 helixtrans-58.8-36.5-172.3-63.3-170.268.7-169.4-5113.9Q4 I6 F284 I285 F381 V425 T426 L432Q4-R430 PolarHBondContact O-NH1 3.36Å; I6-R430 HydrophobicContact CG1-CB 4.46Å; F284-R430 PolarHBondContact O-NH2 3.25Å; I285-R430 PolarHBondContact O-NH2 2.99Å; F381-R430 HydrophobicContact CD1-CB 3.98Å; F381-R430 HydrophobicContact CD1-CG 3.63Å; F381-R430 HydrophobicContact CE1-CB 3.68Å; F381-R430 HydrophobicContact CE1-CG 3.86Å; F381-R430 HydrophobicContact CG-CG 4.24Å; F381-R430 HydrophobicContact CZ-CB 4.43Å; V425-R430 HydrophobicContact CG1-CG 4.27Å; T426-R430 WeakPolarHBondContact O-CG 3.49Å; T426-R430 PolarHBondContact O-N 3.16Å; R430-L432 VanDerWaalsContact C-N 3.3Å
431L92.5Very high96.4Very high31 Ų3124.2 Ų24.216%0.16212%0.116CC..G310 helixtrans-73.5-23.8176.1-72172.4000113I6 W8 I13 I274 F284 G429I6-L431 HydrophobicContact CD1-CD2 4.09Å; I6-L431 HydrophobicContact CD1-CG 4.23Å; I6-L431 HydrophobicContact CG2-CD1 3.68Å; I6-L431 HydrophobicContact CG2-CG 3.87Å; W8-L431 HydrophobicContact CE3-CD1 3.71Å; W8-L431 HydrophobicContact CZ3-CD1 3.77Å; I13-L431 HydrophobicContact CD1-CD1 4.16Å; I274-L431 HydrophobicContact CD1-CD1 4.2Å; I274-L431 HydrophobicContact CD1-CD2 3.8Å; F284-L431 HydrophobicContact CE1-CD2 4.29Å; F284-L431 HydrophobicContact CZ-CD2 4.05Å; G429-L431 VanDerWaalsContact C-N 3.3Å; G429-L431 PolarHBondContact O-N 3.35Å
432L94.7Very high96.4Very high11 Ų1118.2 Ų18.26%0.0589%0.092CC..G310 helixtrans-100.722-179-59.6177.4000111.9L12 Y16 L415 G429 R430 R434 N435 I436L12-L432 HydrophobicContact CB-CD1 4.26Å; Y16-L432 HydrophobicContact CD2-CD1 4.06Å; Y16-L432 HydrophobicContact CG-CD1 4.37Å; L415-L432 HydrophobicContact CD1-CD1 4.42Å; L415-L432 HydrophobicContact CD2-CB 3.87Å; L415-L432 HydrophobicContact CD2-CD1 3.68Å; L415-L432 HydrophobicContact CD2-CG 4.44Å; L415-L432 HydrophobicContact CG-CD1 4.07Å; G429-L432 CarbonylContact O-C 3.5Å; G429-L432 WeakPolarHBondContact O-CA 3.43Å; G429-L432 PolarHBondContact O-N 3.42Å; R430-L432 VanDerWaalsContact C-N 3.3Å; L432-R434 PolarHBondContact O-N 2.98Å; L432-R434 VanDerWaalsContact O-N 3.16Å; L432-N435 WeakPolarHBondContact O-CB 3.49Å; L432-N435 PolarHBondContact O-N 3.33Å; L432-I436 PolarHBondContact O-N 3.04Å
433I95.6Very high96.2Very high1 Ų119.7 Ų19.71%0.00510%0.095CC..Hα-helixtrans-57-34.3-177.8-169.857.2000112.9M287 L377 I378 F381 V425 G429 N435 I436 C437M287-I433 HydrophobicContact CG-CG2 4.15Å; L377-I433 HydrophobicContact CB-CD1 4.22Å; L377-I433 WeakPolarHBondContact O-CD1 3.43Å; I378-I433 HydrophobicContact CG1-CG1 4.11Å; F381-I433 HydrophobicContact CD1-CD1 4.24Å; F381-I433 HydrophobicContact CD1-CG1 4.5Å; F381-I433 HydrophobicContact CE1-CB 4.13Å; F381-I433 HydrophobicContact CE1-CD1 4.35Å; F381-I433 HydrophobicContact CE1-CG1 4.13Å; V425-I433 HydrophobicContact CG1-CD1 4.47Å; V425-I433 HydrophobicContact CG2-CD1 3.89Å; G429-I433 PolarHBondContact O-N 3.27Å; I433-N435 VanDerWaalsContact C-N 3.34Å; I433-N435 PolarHBondContact O-N 2.94Å; I433-I436 HydrophobicContact CD1-CB 4.43Å; I433-I436 HydrophobicContact CD1-CD1 4.29Å; I433-I436 WeakPolarHBondContact O-CB 3.38Å; I433-I436 PolarHBondContact O-N 3.43Å; I433-C437 PolarHBondContact O-N 3.44Å; I433-C437 PolarHBondContact O-SG 3.09Å
434R94.9Very high95.8Very high64 Ų6422.4 Ų22.424%0.24211%0.109CC..Hα-helixtrans-64.1-40.7177.1-62.4178.5-173.8106.9-6.5110.9D288 L432 I436 C437 M438D288-R434 IonicContact OD1-NH2 2.7Å; D288-R434 PolarHBondContact OD1-NH2 3.25Å; D288-R434 IonicContact OD2-NH2 3.48Å; L432-R434 PolarHBondContact O-N 2.98Å; L432-R434 VanDerWaalsContact O-N 3.16Å; R434-I436 VanDerWaalsContact C-N 3.32Å; R434-I436 PolarHBondContact O-N 3.26Å; R434-C437 PolarHBondContact O-N 2.9Å; R434-M438 VanDerWaalsContact O-CG 3.24Å; R434-M438 WeakPolarHBondContact O-CG 3.46Å; R434-M438 PolarHBondContact O-N 2.66Å
435N95.7Very high95.4Very high15 Ų1520.2 Ų20.28%0.0810%0.098CC..Hα-helixtrans-63.3-38.9175.7-56.179.3000111.6Y16 Y18 L410 L432 I433 M438Y16-N435 HydrophobicContact CD1-CB 4.47Å; Y16-N435 PolarHBondContact O-ND2 3.29Å; Y18-N435 PolarHBondContact OH-ND2 3.05Å; L410-N435 HydrophobicContact CD2-CB 4.3Å; L432-N435 WeakPolarHBondContact O-CB 3.49Å; L432-N435 PolarHBondContact O-N 3.33Å; I433-N435 VanDerWaalsContact C-N 3.34Å; I433-N435 PolarHBondContact O-N 2.94Å; N435-M438 PolarHBondContact O-N 2.84Å
436I97.6Very high94.9Very high0 Ų024.9 Ų24.90%012%0.12CC..Hα-helixtrans-64.6-47176-63163.5000110.2L377 L407 L410 L415 V416 V425 L432 I433 R434 M438 C439L377-I436 HydrophobicContact CD1-CG2 4.36Å; L407-I436 HydrophobicContact CD1-CG2 4.05Å; L410-I436 HydrophobicContact CD2-CG1 4Å; L415-I436 HydrophobicContact CB-CD1 4.41Å; V416-I436 HydrophobicContact CG1-CD1 3.56Å; V416-I436 HydrophobicContact CG1-CG1 3.98Å; V416-I436 HydrophobicContact CG1-CG2 4.05Å; V425-I436 HydrophobicContact CG1-CD1 3.73Å; V425-I436 HydrophobicContact CG2-CD1 4.14Å; L432-I436 PolarHBondContact O-N 3.04Å; I433-I436 HydrophobicContact CD1-CB 4.43Å; I433-I436 HydrophobicContact CD1-CD1 4.29Å; I433-I436 WeakPolarHBondContact O-CB 3.38Å; I433-I436 PolarHBondContact O-N 3.43Å; R434-I436 VanDerWaalsContact C-N 3.32Å; R434-I436 PolarHBondContact O-N 3.26Å; I436-M438 VanDerWaalsContact C-N 3.3Å; I436-M438 PolarHBondContact O-N 2.97Å; I436-C439 WeakPolarHBondContact O-CB 3.4Å; I436-C439 PolarHBondContact O-N 2.82Å
437C97.7Very high94.4Very high0 Ų027.7 Ų27.70%013%0.131CC..Hα-helixtrans-65.3-31.5179-65.10000113.3Y23 I374 I378 I433 R434 C439 F440Y23-C437 HydrophobicContact CD2-CB 3.92Å; Y23-C437 HydrophobicContact CE2-CB 3.86Å; I374-C437 HydrophobicContact CG1-CB 4.3Å; I374-C437 HydrophobicContact CG2-CB 4.11Å; I378-C437 VanDerWaalsContact CG1-SG 3.57Å; I433-C437 PolarHBondContact O-N 3.44Å; I433-C437 PolarHBondContact O-SG 3.09Å; R434-C437 PolarHBondContact O-N 2.9Å; C437-C439 PolarHBondContact O-N 3.33Å; C437-F440 PolarHBondContact O-N 3.28Å
438M96.4Very high93.8Very high26 Ų2628.9 Ų28.913%0.12814%0.14CC..Hα-helixtrans-59.1-25.6175.9-75.2171.665.300113.5Y18 Y23 R434 N435 I436 F440 D441 L444Y18-M438 HydrophobicContact CD2-CE 4.24Å; Y18-M438 HydrophobicContact CE2-CE 3.66Å; Y18-M438 HydrophobicContact CE2-SD 4Å; Y23-M438 HydrophobicContact CE2-CG 3.87Å; Y23-M438 WeakPolarHBondContact OH-CA 3.43Å; Y23-M438 WeakPolarHBondContact OH-CG 3.41Å; R434-M438 VanDerWaalsContact O-CG 3.24Å; R434-M438 WeakPolarHBondContact O-CG 3.46Å; R434-M438 PolarHBondContact O-N 2.66Å; N435-M438 PolarHBondContact O-N 2.84Å; I436-M438 VanDerWaalsContact C-N 3.3Å; I436-M438 PolarHBondContact O-N 2.97Å; M438-F440 PolarHBondContact O-N 3.5Å; M438-D441 PolarHBondContact O-N 2.99Å; M438-L444 HydrophobicContact CE-CD1 3.79Å; M438-L444 HydrophobicContact CE-CD2 4.18Å
439C97.3Very high93.1Very high9 Ų931.2 Ų31.26%0.06115%0.147CC..THydrogen-bonded Turntrans-61.4-27.7174.4-62.30000112.3L406 L407 I436 C437 R445L406-C439 HydrophobicContact CB-CB 4.12Å; L407-C439 HydrophobicContact CB-CB 4.44Å; L407-C439 HydrophobicContact CD1-CB 4.48Å; I436-C439 WeakPolarHBondContact O-CB 3.4Å; I436-C439 PolarHBondContact O-N 2.82Å; C437-C439 PolarHBondContact O-N 3.33Å; C439-R445 PolarHBondContact O-NH2 3.04Å
440F98.2Very high92Very high0 Ų037.1 Ų37.10%018%0.176CC..THydrogen-bonded Turntrans-99.15.1-177-61.8-83.6000114R370 V373 I374 L377 F396 F400 D403 L407 I423 C437 M438R370-F440 PolarHBondContact NH1-O 2.93Å; V373-F440 HydrophobicContact CG1-CB 4.43Å; V373-F440 HydrophobicContact CG1-CD1 3.91Å; V373-F440 HydrophobicContact CG1-CD2 4.25Å; V373-F440 HydrophobicContact CG1-CE1 4.21Å; V373-F440 HydrophobicContact CG1-CG 3.93Å; I374-F440 HydrophobicContact CD1-CB 4.43Å; I374-F440 HydrophobicContact CG1-CB 4.23Å; L377-F440 HydrophobicContact CD1-CD2 4.03Å; L377-F440 HydrophobicContact CD1-CE2 3.85Å; F396-F440 HydrophobicContact CZ-CE1 4.17Å; F400-F440 HydrophobicContact CB-CE1 4.41Å; F400-F440 AromaticContact CD1-CD1 3.71Å; F400-F440 HydrophobicContact CD1-CD1 3.71Å; F400-F440 AromaticContact CD1-CE1 3.99Å; F400-F440 HydrophobicContact CD1-CE1 3.99Å; F400-F440 AromaticContact CE1-CD1 3.97Å; F400-F440 HydrophobicContact CE1-CD1 3.97Å; F400-F440 HydrophobicContact CG-CD1 4.43Å; F400-F440 HydrophobicContact CG-CE1 4.25Å; D403-F440 HydrophobicContact CB-CD1 3.71Å; D403-F440 HydrophobicContact CB-CE1 3.81Å; D403-F440 HydrophobicContact CB-CG 4.45Å; D403-F440 WeakPolarHBondContact OD1-CA 3.5Å; L407-F440 HydrophobicContact CD2-CZ 4.36Å; I423-F440 HydrophobicContact CD1-CE2 4.25Å; I423-F440 HydrophobicContact CD1-CZ 3.7Å; C437-F440 PolarHBondContact O-N 3.28Å; M438-F440 PolarHBondContact O-N 3.5Å
441D97.6Very high91Very high6 Ų644.5 Ų44.53%0.03221%0.211CC..  trans-93.5110.2-178.3-172.3-31.3000111.4Y23 Y26 M438 Y443 L444 R445Y23-D441 HydrophobicContact CE1-CB 4.26Å; Y23-D441 VanDerWaalsContact CE1-OD2 3.26Å; Y23-D441 WeakPolarHBondContact CE1-OD2 3.42Å; Y23-D441 WeakPolarHBondContact OH-CB 3.41Å; Y23-D441 PolarHBondContact OH-OD2 3.27Å; Y26-D441 HydrophobicContact CE2-CB 4.12Å; M438-D441 PolarHBondContact O-N 2.99Å; D441-Y443 WeakPolarHBondContact OD1-CB 3.32Å; D441-Y443 PolarHBondContact OD1-N 2.95Å; D441-L444 HydrophobicContact CB-CB 4.21Å; D441-L444 PolarHBondContact OD1-N 3.03Å; D441-R445 PolarHBondContact O-N 3.47Å
442T97Very high89.5Confident17 Ų1750.9 Ų50.910%0.10424%0.24CC..Hα-helixtrans-77.1-32.1-179.252.20000112.3Y26 R445 Q446Y26-T442 PolarHBondContact OH-N 2.91Å; Y26-T442 PolarHBondContact OH-OG1 3.13Å; T442-R445 PolarHBondContact O-N 2.92Å; T442-Q446 WeakPolarHBondContact O-CB 3.43Å; T442-Q446 WeakPolarHBondContact O-CG 3.42Å; T442-Q446 PolarHBondContact O-N 3.11Å
443Y95.5Very high87.6Confident39 Ų3958 Ų5815%0.15327%0.271CS..Hα-helixtrans-66.7-43.6179.8-65.1-87.2000111.7Y26 P27 E31 D367 D441 R445 Q446 K447Y26-Y443 HydrophobicContact CE2-CD2 4.17Å; P27-Y443 HydrophobicContact CB-CD2 4.24Å; P27-Y443 HydrophobicContact CB-CE2 3.69Å; P27-Y443 HydrophobicContact CG-CE2 3.63Å; E31-Y443 HydrophobicContact CB-CD1 4.39Å; E31-Y443 HydrophobicContact CB-CE1 4.14Å; E31-Y443 HydrophobicContact CG-CD1 3.49Å; E31-Y443 VanDerWaalsContact CG-CD1 3.49Å; E31-Y443 HydrophobicContact CG-CD2 4.33Å; E31-Y443 HydrophobicContact CG-CE1 3.69Å; E31-Y443 HydrophobicContact CG-CG 3.83Å; E31-Y443 VanDerWaalsContact OE2-CD1 3.26Å; E31-Y443 WeakPolarHBondContact OE2-CD1 3.4Å; D367-Y443 VanDerWaalsContact CG-OH 3.31Å; D367-Y443 WeakPolarHBondContact OD1-CE2 3.49Å; D367-Y443 PolarHBondContact OD1-OH 2.85Å; D367-Y443 PolarHBondContact OD2-OH 2.9Å; D441-Y443 WeakPolarHBondContact OD1-CB 3.32Å; D441-Y443 PolarHBondContact OD1-N 2.95Å; Y443-R445 VanDerWaalsContact C-N 3.33Å; Y443-R445 PolarHBondContact O-N 3.41Å; Y443-Q446 PolarHBondContact O-N 3.22Å; Y443-K447 WeakPolarHBondContact O-CG 3.32Å; Y443-K447 PolarHBondContact O-N 3.4Å
444L89.9Confident85.5Confident61 Ų6162.8 Ų62.832%0.31930%0.304SS..Hα-helixtrans-63.6-42.1176.2-169.6142.5000111.1P21 M438 D441 K447 A448P21-L444 HydrophobicContact CG-CD1 3.99Å; M438-L444 HydrophobicContact CE-CD1 3.79Å; M438-L444 HydrophobicContact CE-CD2 4.18Å; D441-L444 HydrophobicContact CB-CB 4.21Å; D441-L444 PolarHBondContact OD1-N 3.03Å; L444-K447 PolarHBondContact O-N 3.19Å; L444-A448 WeakPolarHBondContact O-CB 3.44Å; L444-A448 PolarHBondContact O-N 3.37Å
445R89.9Confident83.3Confident27 Ų2771.2 Ų71.210%0.10234%0.336CS..Hα-helixtrans-62.1-45176.3-168.4-177.8-48.7166.78.2112.3E402 D403 C439 D441 T442 Y443 A448 R449E402-R445 VanDerWaalsContact CG-NH1 3.29Å; E402-R445 WeakPolarHBondContact OE1-CD 3.35Å; E402-R445 IonicContact OE1-NH1 2.7Å; E402-R445 IonicContact OE2-CZ 2.69Å; E402-R445 IonicContact OE2-NH1 3.67Å; E402-R445 PolarHBondContact OE2-NH1 3.32Å; D403-R445 IonicContact OD1-CZ 2.67Å; D403-R445 IonicContact OD1-NH1 2.61Å; D403-R445 IonicContact OD1-NH2 3.24Å; D403-R445 PolarHBondContact OD1-NH2 3.41Å; D403-R445 IonicContact OD2-NH1 3.11Å; C439-R445 PolarHBondContact O-NH2 3.04Å; D441-R445 PolarHBondContact O-N 3.47Å; T442-R445 PolarHBondContact O-N 2.92Å; Y443-R445 VanDerWaalsContact C-N 3.33Å; Y443-R445 PolarHBondContact O-N 3.41Å; R445-A448 PolarHBondContact O-N 2.78Å; R445-R449 WeakPolarHBondContact O-CG 3.46Å; R445-R449 PolarHBondContact O-N 3.48Å
446Q88.3Confident80.9Confident101 Ų10177 Ų7747%0.47237%0.372SS..Hα-helixtrans-62.2-44.1177.3-73.417115.900111.3T442 Y443 R449 M450T442-Q446 WeakPolarHBondContact O-CB 3.43Å; T442-Q446 WeakPolarHBondContact O-CG 3.42Å; T442-Q446 PolarHBondContact O-N 3.11Å; Y443-Q446 PolarHBondContact O-N 3.22Å; Q446-R449 PolarHBondContact O-N 3.4Å; Q446-M450 WeakPolarHBondContact O-CG 3.27Å; Q446-M450 PolarHBondContact O-N 3.38Å
447K85.8Confident78.5Confident76 Ų7688 Ų8833%0.3343%0.428SS..Hα-helixtrans-61.5-43.9175.6-74.3175.6-173.8168.50112.4E31 Y443 L444 R449 M450 Q451E31-K447 IonicContact OE1-NZ 3.54Å; E31-K447 PolarHBondContact OE1-NZ 3.3Å; E31-K447 IonicContact OE2-NZ 2.75Å; Y443-K447 WeakPolarHBondContact O-CG 3.32Å; Y443-K447 PolarHBondContact O-N 3.4Å; L444-K447 PolarHBondContact O-N 3.19Å; K447-R449 PolarHBondContact O-N 3.14Å; K447-M450 HydrophobicContact CG-CE 4.05Å; K447-M450 PolarHBondContact O-N 3.08Å; K447-Q451 WeakPolarHBondContact O-CG 3.48Å; K447-Q451 PolarHBondContact O-N 3.38Å; K447-Q451 VanDerWaalsContact O-N 3.08Å
448A81.2Confident77.5Confident43 Ų4392.4 Ų92.436%0.35545%0.45SS..Hα-helixtrans-61.5-42.4176.600000112.1L444 R445 Q451 Q452L444-A448 WeakPolarHBondContact O-CB 3.44Å; L444-A448 PolarHBondContact O-N 3.37Å; R445-A448 PolarHBondContact O-N 2.78Å; A448-Q451 PolarHBondContact O-N 2.61Å; A448-Q452 WeakPolarHBondContact O-CG 3.45Å; A448-Q452 PolarHBondContact O-N 2.57Å
449R79.6Confident76.5Confident113 Ų11395.9 Ų95.943%0.42647%0.467SS..Hα-helixtrans-62.3-43.7174.4-71.2175.6-179.3176.11.3111.7E402 R445 Q446 K447 Q451 Q452 F453E402-R449 IonicContact OE1-CZ 3.32Å; E402-R449 IonicContact OE1-NH2 3.87Å; E402-R449 PolarHBondContact OE1-NH2 3.38Å; E402-R449 IonicContact OE2-NH2 3.79Å; E402-R449 PolarHBondContact OE2-NH2 2.99Å; R445-R449 WeakPolarHBondContact O-CG 3.46Å; R445-R449 PolarHBondContact O-N 3.48Å; Q446-R449 PolarHBondContact O-N 3.4Å; K447-R449 PolarHBondContact O-N 3.14Å; R449-Q451 VanDerWaalsContact C-N 3.31Å; R449-Q451 PolarHBondContact O-N 3Å; R449-Q452 PolarHBondContact O-N 3.05Å; R449-Q452 VanDerWaalsContact O-N 3.14Å; R449-F453 WeakPolarHBondContact O-CD2 3.3Å; R449-F453 VanDerWaalsContact O-CE2 3.3Å; R449-F453 WeakPolarHBondContact O-CE2 3.06Å
450M71.9Confident75.3Confident125 Ų125100.7 Ų100.762%0.61649%0.489SS*.Hα-helixtrans-61-37.4178.1-74.6-171.1-69.600113Q446 K447 Q452 F453Q446-M450 WeakPolarHBondContact O-CG 3.27Å; Q446-M450 PolarHBondContact O-N 3.38Å; K447-M450 HydrophobicContact CG-CE 4.05Å; K447-M450 PolarHBondContact O-N 3.08Å; M450-Q452 VanDerWaalsContact C-N 3.27Å; M450-Q452 PolarHBondContact O-N 3.37Å; M450-F453 PolarHBondContact O-N 2.95Å
451Q73Confident74Confident170 Ų170106.6 Ų106.679%0.79452%0.518SS*.Hα-helixtrans-71.1-19.4177.6-70.9179.4-5.500113.8K447 A448 R449K447-Q451 WeakPolarHBondContact O-CG 3.48Å; K447-Q451 PolarHBondContact O-N 3.38Å; K447-Q451 VanDerWaalsContact O-N 3.08Å; A448-Q451 PolarHBondContact O-N 2.61Å; R449-Q451 VanDerWaalsContact C-N 3.31Å; R449-Q451 PolarHBondContact O-N 3Å
452Q62.4Low72.5Confident164 Ų164112.9 Ų112.977%0.76655%0.548SS*.Hα-helixtrans-83.6-15.5178.9-72.5177.2-12.500113.7A448 R449 M450A448-Q452 WeakPolarHBondContact O-CG 3.45Å; A448-Q452 PolarHBondContact O-N 2.57Å; R449-Q452 PolarHBondContact O-N 3.05Å; R449-Q452 VanDerWaalsContact O-N 3.14Å; M450-Q452 VanDerWaalsContact C-N 3.27Å; M450-Q452 PolarHBondContact O-N 3.37Å
453F53.6Low70.9Confident162 Ų162119.3 Ų119.371%0.71158%0.578SS**SBendtrans-80123.1174.9-65.6-73.4000110.1R449 M450R449-F453 WeakPolarHBondContact O-CD2 3.3Å; R449-F453 VanDerWaalsContact O-CE2 3.3Å; R449-F453 WeakPolarHBondContact O-CE2 3.06Å; M450-F453 PolarHBondContact O-N 2.95Å
454S52.7Low69.1Low100 Ų100125.1 Ų125.170%0.69961%0.608SS**PPolyproline II helixtrans-67.4151.6170.267.30000110.4V456S454-V456 PolarHBondContact O-N 3.33Å; S454-V456 VanDerWaalsContact O-N 3.16Å
455R48.5Very low67.5Low241 Ų241130 Ų13091%0.90963%0.63SS**PPolyproline II helixtrans-54.9124.5168.5-83.1-173.4175.6-179-1.5109.3I457R455-I457 PolarHBondContact O-N 3.16Å
456V45.8Very low65.7Low136 Ų136138.6 Ų138.682%0.82467%0.674SS**  trans-91.480.3173.5-171.80000106.3S454S454-V456 PolarHBondContact O-N 3.33Å; S454-V456 VanDerWaalsContact O-N 3.16Å
457I45.5Very low63.6Low232 Ų232142 Ų142100%1.1969%0.693SS**  trans167.70159-82.4150000107.6R455R455-I457 PolarHBondContact O-N 3.16Å

Retrieved 457 of 457 residues in 673.2 ms (Link to these results)

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