A0A096NEX0_PAPAN Loading...

F-box and WD repeat domain containing 11

AlphaFold DB (A0A3Q7T0L1), UniProt , Accession A0A096NEX0, Species PAPAN (Papio anubis, Olive baboon), Gene FBXW11, Length 563 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
1M38.8Very low50.2Low233 Ų23396.5 Ų96.5100%1.14851%0.51SS*.  096.10-64.8171.2175.600104.4
2E38.2Very low51Low164 Ų16490 Ų9077%0.76648%0.476SS*.  cis-152.484.745.2-64.7161.6138.800110.8
3P43.2Very low52Low79 Ų7990.4 Ų90.451%0.51347%0.473SS..SBendtrans-100-32.2176.1020000113.5I7P3-I7 WeakPolarHBondContact O-CG1 3.47Å
4D42.1Very low53Low114 Ų11486.3 Ų86.361%0.6145%0.452SS*.Hα-helixtrans-77.5-35.9-169.8-65.2-35.3000112V6 I7 E8D4-V6 PolarHBondContact O-N 3.46Å; D4-I7 PolarHBondContact O-N 3.44Å; D4-E8 WeakPolarHBondContact O-CB 3.39Å; D4-E8 VanDerWaalsContact O-CG 3.23Å; D4-E8 WeakPolarHBondContact O-CG 3.49Å; D4-E8 PolarHBondContact O-N 2.88Å
5S45.8Very low53.9Low56 Ų5680.7 Ų80.739%0.39242%0.423SS..Hα-helixtrans-63-37.9179.155.20000113.6E8 D9S5-E8 PolarHBondContact O-N 3.29Å; S5-D9 PolarHBondContact O-N 2.87Å; S5-D9 VanDerWaalsContact O-N 3.12Å
6V50.1Low54.4Low67 Ų6777.9 Ų77.941%0.40641%0.411SS..Hα-helixtrans-74-31.3-178.6-178.40000111.9D4 K10D4-V6 PolarHBondContact O-N 3.46Å; V6-K10 HydrophobicContact CG1-CD 4.46Å; V6-K10 WeakPolarHBondContact O-CD 3.48Å; V6-K10 WeakPolarHBondContact O-CG 3.5Å; V6-K10 PolarHBondContact O-N 3.27Å
7I53.9Low55.1Low106 Ų10675.4 Ų75.454%0.54440%0.402SS..Hα-helixtrans-74.9-36.2174.1-63.2170.8000109.6P3 D4 T11P3-I7 WeakPolarHBondContact O-CG1 3.47Å; D4-I7 PolarHBondContact O-N 3.44Å; I7-T11 PolarHBondContact O-N 2.92Å; I7-T11 PolarHBondContact O-OG1 3.29Å
8E54.2Low55.8Low62 Ų6272.2 Ų72.229%0.2939%0.385SS..Hα-helixtrans-63.1-44.9178.7-77.7176.7163.700112.7D4 S5 T11 I12 C121 Q124D4-E8 WeakPolarHBondContact O-CB 3.39Å; D4-E8 VanDerWaalsContact O-CG 3.23Å; D4-E8 WeakPolarHBondContact O-CG 3.49Å; D4-E8 PolarHBondContact O-N 2.88Å; S5-E8 PolarHBondContact O-N 3.29Å; E8-T11 PolarHBondContact O-N 3.21Å; E8-I12 WeakPolarHBondContact O-CG1 3.32Å; E8-I12 PolarHBondContact O-N 3.22Å; E8-C121 PolarHBondContact OE1-SG 3.4Å; E8-Q124 HydrophobicContact CB-CG 4.43Å; E8-Q124 PolarHBondContact O-NE2 3.48Å
9D58.9Low56.1Low94 Ų9470.3 Ų70.350%0.50338%0.377SS..Hα-helixtrans-67.1-39.7178.6-88.7-19.3000113.2S5 T11 I12 E13S5-D9 PolarHBondContact O-N 2.87Å; S5-D9 VanDerWaalsContact O-N 3.12Å; D9-T11 VanDerWaalsContact C-N 3.32Å; D9-T11 PolarHBondContact O-N 3.4Å; D9-I12 PolarHBondContact O-N 3.02Å; D9-E13 PolarHBondContact O-N 3.33Å
10K65.4Low56.4Low50 Ų5074.5 Ų74.522%0.21739%0.387CS..Hα-helixtrans-64.4-38.6178.5-75.1177179.8175.70111.7V6 I12 E13 L14 Y90V6-K10 HydrophobicContact CG1-CD 4.46Å; V6-K10 WeakPolarHBondContact O-CD 3.48Å; V6-K10 WeakPolarHBondContact O-CG 3.5Å; V6-K10 PolarHBondContact O-N 3.27Å; K10-I12 VanDerWaalsContact C-N 3.33Å; K10-I12 PolarHBondContact O-N 3.44Å; K10-E13 PolarHBondContact O-N 2.91Å; K10-L14 PolarHBondContact O-N 3.48Å; K10-Y90 WeakPolarHBondContact CA-OH 3.46Å; K10-Y90 HydrophobicContact CB-CD2 4.46Å; K10-Y90 HydrophobicContact CB-CE1 4.11Å; K10-Y90 HydrophobicContact CB-CE2 3.72Å; K10-Y90 HydrophobicContact CD-CD1 4.1Å; K10-Y90 HydrophobicContact CD-CD2 3.79Å; K10-Y90 HydrophobicContact CD-CE1 4.21Å; K10-Y90 HydrophobicContact CD-CE2 3.92Å; K10-Y90 HydrophobicContact CD-CG 3.89Å; K10-Y90 HydrophobicContact CG-CD1 4.07Å; K10-Y90 HydrophobicContact CG-CD2 4.23Å; K10-Y90 HydrophobicContact CG-CE1 3.72Å; K10-Y90 HydrophobicContact CG-CE2 3.91Å; K10-Y90 HydrophobicContact CG-CG 4.32Å; K10-Y90 PolarHBondContact O-OH 3.39Å
11T61.5Low56.5Low36 Ų3675.1 Ų75.122%0.22140%0.398CS..Hα-helixtrans-65.4-38.5177.9-47.20000111.5I7 E8 D9 M15 L116 M120I7-T11 PolarHBondContact O-N 2.92Å; I7-T11 PolarHBondContact O-OG1 3.29Å; E8-T11 PolarHBondContact O-N 3.21Å; D9-T11 VanDerWaalsContact C-N 3.32Å; D9-T11 PolarHBondContact O-N 3.4Å; T11-M15 WeakPolarHBondContact O-CG 3.4Å; T11-M15 PolarHBondContact O-N 3.45Å; T11-L116 HydrophobicContact CG2-CD2 3.47Å; T11-L116 VanDerWaalsContact CG2-CD2 3.47Å; T11-M120 HydrophobicContact CG2-CE 3.6Å; T11-M120 HydrophobicContact CG2-CG 4.41Å
12I60.3Low57.6Low19 Ų1964.5 Ų64.510%0.09735%0.346CS..Hα-helixtrans-64.6-46173.1-64.2168.1000110.4E8 D9 K10 L14 M15 C16 Q124 H127E8-I12 WeakPolarHBondContact O-CG1 3.32Å; E8-I12 PolarHBondContact O-N 3.22Å; D9-I12 PolarHBondContact O-N 3.02Å; K10-I12 VanDerWaalsContact C-N 3.33Å; K10-I12 PolarHBondContact O-N 3.44Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.36Å; I12-M15 PolarHBondContact O-N 3.03Å; I12-C16 PolarHBondContact O-N 3.47Å; I12-C16 PolarHBondContact O-SG 3.49Å; I12-C16 VanDerWaalsContact O-SG 3.35Å; I12-Q124 HydrophobicContact CD1-CB 4.37Å; I12-Q124 HydrophobicContact CD1-CG 4Å; I12-Q124 HydrophobicContact CG1-CB 4.19Å; I12-Q124 HydrophobicContact CG1-CG 4.04Å; I12-H127 HydrophobicContact CD1-CB 4.06Å; I12-H127 HydrophobicContact CG2-CB 4.48Å
13E63.3Low58.5Low95 Ų9557.4 Ų57.444%0.44431%0.312SS..Hα-helixtrans-61.9-34.1179.2-83.3-167163.200114D9 K10 S17 Y90 K94D9-E13 PolarHBondContact O-N 3.33Å; K10-E13 PolarHBondContact O-N 2.91Å; E13-S17 PolarHBondContact O-N 2.94Å; E13-S17 PolarHBondContact O-OG 3.47Å; E13-Y90 WeakPolarHBondContact OE2-CE1 3.49Å; E13-K94 WeakPolarHBondContact O-CE 3.4Å; E13-K94 PolarHBondContact O-NZ 2.85Å
14L66.2Low59Low33 Ų3358 Ų5817%0.17331%0.31CS..Hα-helixtrans-69.7-44.4176.3-175.467.5000110.7K10 I12 S17 V18 K94 C97 L116K10-L14 PolarHBondContact O-N 3.48Å; I12-L14 VanDerWaalsContact C-N 3.3Å; I12-L14 PolarHBondContact O-N 3.36Å; L14-S17 WeakPolarHBondContact CA-OG 3.23Å; L14-S17 PolarHBondContact O-N 3.32Å; L14-S17 VanDerWaalsContact O-N 3.12Å; L14-S17 PolarHBondContact O-OG 2.8Å; L14-V18 PolarHBondContact O-N 3.37Å; L14-K94 HydrophobicContact CD1-CG 3.88Å; L14-C97 HydrophobicContact CD1-CB 4.47Å; L14-L116 HydrophobicContact CD2-CD1 4.37Å
15M65.8Low59.1Low3 Ų355.5 Ų55.52%0.01531%0.312CS..Hα-helixtrans-64.5-41.5178.1-71.9-67.3-77.800113T11 I12 S17 V18 W23 V113 L116 I117 M120 I128T11-M15 WeakPolarHBondContact O-CG 3.4Å; T11-M15 PolarHBondContact O-N 3.45Å; I12-M15 PolarHBondContact O-N 3.03Å; M15-S17 PolarHBondContact O-N 3.14Å; M15-V18 PolarHBondContact O-N 3.45Å; M15-W23 HydrophobicContact CE-CH2 3.48Å; M15-W23 VanDerWaalsContact CE-CH2 3.48Å; M15-W23 HydrophobicContact CE-CZ2 3.79Å; M15-V113 HydrophobicContact CE-CG1 4.23Å; M15-L116 HydrophobicContact CG-CD2 4.12Å; M15-L116 HydrophobicContact SD-CB 4.13Å; M15-L116 HydrophobicContact SD-CD1 4.1Å; M15-L116 HydrophobicContact SD-CD2 3.96Å; M15-L116 HydrophobicContact SD-CG 4.29Å; M15-I117 HydrophobicContact CE-CD1 4.27Å; M15-I117 HydrophobicContact CE-CG1 3.79Å; M15-M120 HydrophobicContact CE-CE 4.06Å; M15-M120 HydrophobicContact CG-CE 3.34Å; M15-M120 HydrophobicContact SD-CE 3.96Å; M15-I128 HydrophobicContact CB-CD1 4Å; M15-I128 HydrophobicContact CB-CG1 4.38Å; M15-I128 HydrophobicContact CE-CD1 4.25Å; M15-I128 HydrophobicContact CG-CD1 3.94Å
16C63.2Low59.2Low35 Ų3554 Ų5424%0.23630%0.301CS..THydrogen-bonded Turntrans-69-9.8175.8-66.50000113.4I12 Y131I12-C16 PolarHBondContact O-N 3.47Å; I12-C16 PolarHBondContact O-SG 3.49Å; I12-C16 VanDerWaalsContact O-SG 3.35Å; C16-Y131 HydrophobicContact CB-CD1 4.5Å; C16-Y131 HydrophobicContact CB-CD2 4.42Å; C16-Y131 HydrophobicContact CB-CE1 4.19Å; C16-Y131 HydrophobicContact CB-CE2 4.08Å; C16-Y131 PolarHBondContact O-OH 2.87Å; C16-Y131 VanDerWaalsContact O-OH 3.13Å
17S64.9Low58.8Low36 Ų3654.5 Ų54.525%0.25231%0.312SS..THydrogen-bonded Turntrans-99.7-4.5176.760.70000114.7E13 L14 M15 K94 I98E13-S17 PolarHBondContact O-N 2.94Å; E13-S17 PolarHBondContact O-OG 3.47Å; L14-S17 WeakPolarHBondContact CA-OG 3.23Å; L14-S17 PolarHBondContact O-N 3.32Å; L14-S17 VanDerWaalsContact O-N 3.12Å; L14-S17 PolarHBondContact O-OG 2.8Å; M15-S17 PolarHBondContact O-N 3.14Å; S17-K94 WeakPolarHBondContact OG-CE 3.09Å; S17-I98 WeakPolarHBondContact OG-CD1 3.4Å
18V68.4Low58.2Low18 Ų1854.5 Ų54.511%0.10931%0.313CS..SBendtrans-66.8140.9175.5177.60000110.3L14 M15 R20 L22 F101L14-V18 PolarHBondContact O-N 3.37Å; M15-V18 PolarHBondContact O-N 3.45Å; V18-R20 PolarHBondContact O-N 3.3Å; V18-L22 HydrophobicContact CG1-CB 4.33Å; V18-L22 HydrophobicContact CG1-CD2 4.13Å; V18-F101 HydrophobicContact CG1-CD1 4.45Å; V18-F101 HydrophobicContact CG1-CE1 3.63Å; V18-F101 HydrophobicContact CG1-CZ 3.81Å
19P62Low57.7Low35 Ų3551.9 Ų51.923%0.22730%0.301CS..  trans-52134.9179.3-26.832.9000113.8S21 L22 D102P19-S21 PolarHBondContact O-N 3.41Å; P19-L22 WeakPolarHBondContact O-CB 3.42Å; P19-L22 PolarHBondContact O-N 3.22Å; P19-L22 VanDerWaalsContact O-N 3.15Å; P19-D102 VanDerWaalsContact CG-OD1 3.27Å; P19-D102 WeakPolarHBondContact CG-OD1 3.04Å
20R61.4Low56.9Low155 Ų15550.6 Ų50.659%0.58530%0.297SS*.Hα-helixtrans-61-26.5-178.9-66-179.7177.6-173.8-6.3113.6V18 L22 W23 L24 M135V18-R20 PolarHBondContact O-N 3.3Å; R20-L22 VanDerWaalsContact C-N 3.26Å; R20-L22 PolarHBondContact O-N 3Å; R20-W23 PolarHBondContact O-N 3.45Å; R20-L24 PolarHBondContact O-N 3.2Å; R20-M135 VanDerWaalsContact CD-CE 3.49Å; R20-M135 HydrophobicContact CG-CE 3.66Å
21S57.7Low55.7Low88 Ų8855.1 Ų55.162%0.61532%0.319SS*.Hα-helixtrans-62-32.8177.845.40000112.5P19 L24 G25P19-S21 PolarHBondContact O-N 3.41Å; S21-L24 PolarHBondContact O-N 2.97Å; S21-G25 WeakPolarHBondContact O-CA 3.47Å; S21-G25 PolarHBondContact O-N 2.69Å
22L62Low54.7Low10 Ų1056.2 Ų56.25%0.05233%0.328CS..Hα-helixtrans-69.2-41.3-179.4-152.2100.1000112.1V18 P19 R20 L24 F101 Q109 V113V18-L22 HydrophobicContact CG1-CB 4.33Å; V18-L22 HydrophobicContact CG1-CD2 4.13Å; P19-L22 WeakPolarHBondContact O-CB 3.42Å; P19-L22 PolarHBondContact O-N 3.22Å; P19-L22 VanDerWaalsContact O-N 3.15Å; R20-L22 VanDerWaalsContact C-N 3.26Å; R20-L22 PolarHBondContact O-N 3Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.41Å; L22-F101 HydrophobicContact CD1-CE1 4Å; L22-F101 HydrophobicContact CD1-CZ 3.96Å; L22-F101 HydrophobicContact CD2-CE1 4.28Å; L22-F101 HydrophobicContact CD2-CZ 3.68Å; L22-F101 HydrophobicContact CG-CZ 4.4Å; L22-Q109 HydrophobicContact CD1-CB 3.59Å; L22-Q109 HydrophobicContact CD1-CG 4.11Å; L22-Q109 HydrophobicContact CD2-CB 4.43Å; L22-V113 HydrophobicContact CD2-CG2 3.79Å
23W58.8Low53.8Low15 Ų1557.8 Ų57.86%0.05734%0.336CS..Hα-helixtrans-69.5-29177.7-62.8106.6000113.1M15 R20 L29 V113 L132M15-W23 HydrophobicContact CE-CH2 3.48Å; M15-W23 VanDerWaalsContact CE-CH2 3.48Å; M15-W23 HydrophobicContact CE-CZ2 3.79Å; R20-W23 PolarHBondContact O-N 3.45Å; W23-L29 HydrophobicContact CZ3-CD2 4.4Å; W23-V113 HydrophobicContact CH2-CG1 4.02Å; W23-V113 HydrophobicContact CZ3-CG1 4.4Å; W23-L132 HydrophobicContact CB-CD2 4.36Å; W23-L132 HydrophobicContact CD2-CD1 4.29Å; W23-L132 HydrophobicContact CD2-CD2 3.48Å; W23-L132 VanDerWaalsContact CD2-CD2 3.48Å; W23-L132 HydrophobicContact CE3-CD1 3.65Å; W23-L132 HydrophobicContact CE3-CD2 3.67Å; W23-L132 HydrophobicContact CE3-CG 4.33Å; W23-L132 HydrophobicContact CG-CD2 3.81Å; W23-L132 HydrophobicContact CH2-CD1 3.86Å; W23-L132 HydrophobicContact CH2-CD2 4.47Å; W23-L132 HydrophobicContact CZ2-CD1 4.47Å; W23-L132 HydrophobicContact CZ2-CD2 4.32Å; W23-L132 HydrophobicContact CZ3-CD1 3.41Å; W23-L132 VanDerWaalsContact CZ3-CD1 3.41Å; W23-L132 HydrophobicContact CZ3-CD2 4.18Å; W23-L132 HydrophobicContact CZ3-CG 4.44Å
24L53.7Low52.6Low90 Ų9057 Ų5747%0.47134%0.34SS..Hα-helixtrans-95.9-20.1-178.2-72.4163.8000113.4R20 S21 L22R20-L24 PolarHBondContact O-N 3.2Å; S21-L24 PolarHBondContact O-N 2.97Å; L22-L24 VanDerWaalsContact C-N 3.32Å; L22-L24 PolarHBondContact O-N 3.41Å
25G44Very low51.2Low63 Ų6358.4 Ų58.465%0.64936%0.356SS*.Hα-helixtrans-94.6-17.7-172.600000115.6S21S21-G25 WeakPolarHBondContact O-CA 3.47Å; S21-G25 PolarHBondContact O-N 2.69Å
26C47.8Very low49.7Very low23 Ų2362.3 Ų62.316%0.15538%0.377CS..  trans-106.1107.2-173.5-70.10000112.8N28 L29 V110C26-N28 PolarHBondContact O-N 3.26Å; C26-L29 HydrophobicContact CB-CB 4.27Å; C26-L29 HydrophobicContact CB-CD1 3.8Å; C26-L29 HydrophobicContact CB-CG 4.49Å; C26-L29 PolarHBondContact O-N 2.94Å; C26-V110 HydrophobicContact CB-CG2 4.47Å; C26-V110 VanDerWaalsContact SG-CG2 3.6Å
27A40.8Very low48.4Very low78 Ų7863.7 Ų63.765%0.64539%0.387SS*.Hα-helixtrans-59-31.7172.600000113.3L29 V30 E31A27-L29 PolarHBondContact O-N 3.27Å; A27-V30 PolarHBondContact O-N 3.23Å; A27-E31 PolarHBondContact O-N 3.43Å
28N42.5Very low46.8Very low106 Ų10666.2 Ų66.257%0.56740%0.403SS*.Hα-helixtrans-70.5-30.1-178.4-71.1-0.5000113.9C26 V30 S32C26-N28 PolarHBondContact O-N 3.26Å; N28-V30 VanDerWaalsContact C-N 3.32Å; N28-S32 PolarHBondContact O-N 2.97Å; N28-S32 PolarHBondContact O-OG 3.46Å
29L42.9Very low45Very low7 Ų771.8 Ų71.84%0.03743%0.432CS..Hα-helixtrans-70.2-31.4177.6-94.8149.6000111.6W23 C26 A27 M33 V110 V113 I117W23-L29 HydrophobicContact CZ3-CD2 4.4Å; C26-L29 HydrophobicContact CB-CB 4.27Å; C26-L29 HydrophobicContact CB-CD1 3.8Å; C26-L29 HydrophobicContact CB-CG 4.49Å; C26-L29 PolarHBondContact O-N 2.94Å; A27-L29 PolarHBondContact O-N 3.27Å; L29-M33 WeakPolarHBondContact O-CB 3.44Å; L29-M33 VanDerWaalsContact O-CG 3.3Å; L29-M33 WeakPolarHBondContact O-CG 3.29Å; L29-M33 PolarHBondContact O-N 3.47Å; L29-M33 VanDerWaalsContact O-N 3.14Å; L29-V110 HydrophobicContact CD1-CG2 4.25Å; L29-V113 HydrophobicContact CD2-CG1 3.98Å; L29-I117 HydrophobicContact CD2-CD1 4.25Å
30V41.7Very low43.7Very low68 Ų6877.1 Ų77.141%0.41245%0.453SS..Hα-helixtrans-72.8-38.1178.1-177.40000111.5A27 N28 M33 C34 L136A27-V30 PolarHBondContact O-N 3.23Å; N28-V30 VanDerWaalsContact C-N 3.32Å; V30-M33 PolarHBondContact O-N 3.48Å; V30-C34 PolarHBondContact O-N 3.33Å; V30-L136 HydrophobicContact CG2-CD2 4.43Å
31E40.5Very low42.2Very low145 Ų14574 Ų7468%0.67846%0.456SS*.Hα-helixtrans-66.1-42.4175.5-75.2-172.5159.300112.3A27 M33 C34 A35A27-E31 PolarHBondContact O-N 3.43Å; E31-M33 VanDerWaalsContact C-N 3.31Å; E31-M33 PolarHBondContact O-N 2.98Å; E31-C34 PolarHBondContact O-N 2.76Å; E31-A35 PolarHBondContact O-N 2.91Å
32S41.4Very low40.5Very low59 Ų5977.7 Ų77.741%0.41347%0.465SS..Hα-helixtrans-64.7-32.9174.7-68.40000112.7N28N28-S32 PolarHBondContact O-N 2.97Å; N28-S32 PolarHBondContact O-OG 3.46Å
33M41Very low38.8Very low52 Ų5282.4 Ų82.426%0.25650%0.496SS..Hα-helixtrans-75.6-35175.7-76.9-173.460.100113.7L29 V30 E31 L36 S37 L132 L136L29-M33 WeakPolarHBondContact O-CB 3.44Å; L29-M33 VanDerWaalsContact O-CG 3.3Å; L29-M33 WeakPolarHBondContact O-CG 3.29Å; L29-M33 PolarHBondContact O-N 3.47Å; L29-M33 VanDerWaalsContact O-N 3.14Å; V30-M33 PolarHBondContact O-N 3.48Å; E31-M33 VanDerWaalsContact C-N 3.31Å; E31-M33 PolarHBondContact O-N 2.98Å; M33-L36 PolarHBondContact O-N 3.12Å; M33-S37 PolarHBondContact O-N 2.87Å; M33-L132 HydrophobicContact CE-CD1 4.35Å; M33-L132 HydrophobicContact SD-CD1 4.29Å; M33-L136 HydrophobicContact CE-CD1 4.03Å; M33-L136 HydrophobicContact SD-CD1 4.42Å
34C37.8Very low37.7Very low78 Ų7887.4 Ų87.453%0.52753%0.534SS..Hα-helixtrans-65.5-37.2173.2-86.50000112.1V30 E31 L36 S37 C38V30-C34 PolarHBondContact O-N 3.33Å; E31-C34 PolarHBondContact O-N 2.76Å; C34-L36 PolarHBondContact O-N 3.34Å; C34-S37 WeakPolarHBondContact O-CB 3.38Å; C34-S37 PolarHBondContact O-N 3.11Å; C34-S37 PolarHBondContact O-OG 3.06Å; C34-C38 PolarHBondContact O-N 2.78Å
35A36.8Very low36.4Very low63 Ų6388.7 Ų88.752%0.52155%0.545SS..Hα-helixtrans-61.1-30.8175.400000112.9E31E31-A35 PolarHBondContact O-N 2.91Å
36L34.4Very low35.4Very low85 Ų8596.9 Ų96.945%0.44556%0.556SS.*Hα-helixtrans-73.3-26174.4-78.4153000113.2M33 C34 L39M33-L36 PolarHBondContact O-N 3.12Å; C34-L36 PolarHBondContact O-N 3.34Å; L36-L39 PolarHBondContact O-N 3.26Å
37S35.2Very low34.4Very low64 Ų64101.7 Ų101.745%0.44859%0.589SS.*Hα-helixtrans-72-29174.774.50000113.3M33 C34 L39 Q40M33-S37 PolarHBondContact O-N 2.87Å; C34-S37 WeakPolarHBondContact O-CB 3.38Å; C34-S37 PolarHBondContact O-N 3.11Å; C34-S37 PolarHBondContact O-OG 3.06Å; S37-L39 VanDerWaalsContact C-N 3.27Å; S37-L39 PolarHBondContact O-N 3.14Å; S37-Q40 PolarHBondContact O-N 2.97Å; S37-Q40 VanDerWaalsContact O-N 3.16Å
38C31.3Very low33.6Very low89 Ų89106.3 Ų106.360%0.60160%0.602SS**G310 helixtrans-68.4-20.9174.7-85.10000114C34 Q40C34-C38 PolarHBondContact O-N 2.78Å; C38-Q40 VanDerWaalsContact C-N 3.28Å
39L31.3Very low32.7Very low135 Ų135109.4 Ų109.471%0.70761%0.613SS**G310 helixtrans-75.8-15.5173.5-84.1151.6000112.9L36 S37L36-L39 PolarHBondContact O-N 3.26Å; S37-L39 VanDerWaalsContact C-N 3.27Å; S37-L39 PolarHBondContact O-N 3.14Å
40Q34.2Very low31.8Very low146 Ų146115.9 Ų115.968%0.68265%0.647SS**G310 helixtrans-85.4-8.9179.6-65.7-174.7-24.100114S37 C38S37-Q40 PolarHBondContact O-N 2.97Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; C38-Q40 VanDerWaalsContact C-N 3.28Å
41S29.6Very low30.9Very low91 Ų91118.2 Ų118.264%0.63666%0.662SS**G310 helixtrans-111.516.8-173.472.50000115.7
42M23.8Very low30.1Very low165 Ų165116.9 Ų116.981%0.81367%0.669SS**  trans-77.9122.6171.7-78.7-79.4177.500110.1
43P25.6Very low29.3Very low108 Ų108120 Ų12070%0.70169%0.685SS**  trans-72.4137.1178.123.8-22.5000110.9V45P43-V45 PolarHBondContact O-N 3.46Å
44S36.5Very low28.5Very low121 Ų121124.9 Ų124.985%0.84671%0.709SS**  trans-55.1115.8172.357.80000111.6
45V24.9Very low27.8Very low116 Ų116129 Ų12970%0.70372%0.72SS**  trans-137.7104.3167.9-175.80000111.4P43P43-V45 PolarHBondContact O-N 3.46Å
46R23.6Very low27.2Very low236 Ų236133 Ų13389%0.89173%0.733SS**  trans63.4123.4138-64.6178.1177.5-177.4-1.7121.1
47C27.1Very low26.8Very low124 Ų124136.5 Ų136.584%0.83875%0.747SS**  trans-29141.1146.5-63.70000114.2
48L23.4Very low26.2Very low175 Ų175139.5 Ų139.592%0.91676%0.758SS**  trans-154130.9133.9-102155.3000109.3
49Q24.3Very low25.9Very low170 Ų170143.1 Ų143.179%0.79477%0.766SS**  trans-70175.1174.7-69.9168.1-58.200112
50N23.3Very low25.6Very low143 Ų143144.2 Ų144.277%0.76577%0.773SS**  trans86.9138.5166-61.4-11.2000115.5
51T23.5Very low25.2Very low118 Ų118145.8 Ų145.872%0.72478%0.78SS**  cis-175145.24.818.80000107.3
52S24.1Very low25.1Very low117 Ų117146.5 Ų146.582%0.81879%0.786SS**  trans160.8113.3149420000106.8
53V24.2Very low25.4Very low125 Ų125144.2 Ų144.276%0.75878%0.783SS**  67.9102.850.6-171.30000114
54M23.8Very low25.8Very low153 Ų153148.9 Ų148.975%0.75479%0.792SS**  trans61.9112.9146.3-71.6172.8166.200119.3
55E23.7Very low25.3Very low164 Ų164152.9 Ų152.977%0.76679%0.794SS**  82.8112.6101.1-75.5-178.8165.400112.2
56D24.3Very low25.3Very low149 Ų149155.1 Ų155.180%0.79780%0.802SS**  -173.9161.299.1-117.8-25.4000113.7
57Q25Very low25.6Very low157 Ų157149.8 Ų149.873%0.73480%0.796SS**  trans-84.3150-164.8-53.5167-100113.9
58N23.9Very low25.4Very low128 Ų128150.6 Ų150.668%0.68479%0.791SS**  150.9134.1115.2-87.3-20.6000116.1
59E24.9Very low25.4Very low164 Ų164153.8 Ų153.877%0.76679%0.791SS**  trans72.4104.7139.3-69.1-178.7177.400122.2
60D24.5Very low25.3Very low158 Ų158153.8 Ų153.885%0.84579%0.791SS**  79144.4116.6-98.9-18000124.6
61E25.4Very low25.5Very low179 Ų179154.8 Ų154.884%0.83680%0.795SS**  trans77.1108.9164.4-71-163.714600121.3
62S26.4Very low25.6Very low107 Ų107154.2 Ų154.275%0.74880%0.796SS**  trans-65.7151.2147.269.10000110.7
63P31.6Very low25.8Very low117 Ų117156.5 Ų156.576%0.7680%0.799SS**  -142.915393.833.8-17.6000115.5K65P63-K65 PolarHBondContact O-N 3.28Å
64K33.7Very low26Very low205 Ų205153.7 Ų153.789%0.89180%0.796SS**  trans-37126.6164.7-63.1167178.1172.10112.5
65K25.6Very low26.3Very low205 Ų205153 Ų15389%0.89180%0.8SS**  trans-121.4115.2156.4-87.3-176.1177.7175.20110.5P63P63-K65 PolarHBondContact O-N 3.28Å
66N24.7Very low26.5Very low163 Ų163150.6 Ų150.687%0.87280%0.801SS**  trans-58.1145.1162.7-82.3-24.2000110.5
67T31.3Very low26.4Very low124 Ų124149 Ų14976%0.76180%0.802SS**  trans-68.5150.1-178.9-260000112.6
68L21.1Very low26.6Very low141 Ų141147.4 Ų147.474%0.73880%0.802SS**  trans-143119.5156.4-138.7102000109.5Q70L68-Q70 HydrophobicContact CD2-CG 4.33Å
69W23.8Very low26.7Very low242 Ų242148.9 Ų148.992%0.91781%0.809SS**  trans-130.8115.2156.6-80.3107.1000107.9
70Q23.3Very low26.9Very low170 Ų170147 Ų14779%0.79481%0.808SS**  trans-78.5129.3169.5-78.6174.4-37.900108.5L68L68-Q70 HydrophobicContact CD2-CG 4.33Å
71I26.3Very low26.9Very low165 Ų165143.7 Ų143.785%0.84680%0.797SS**  trans-108113.7157.4-61.3175.8000105.7N73I71-N73 PolarHBondContact O-N 3.22Å
72S26.7Very low27.2Very low105 Ų105147.4 Ų147.473%0.73480%0.804SS**  trans-79.1108.1175.451.80000109.7
73N28.1Very low27.3Very low165 Ų165151.4 Ų151.488%0.88281%0.808SS**  trans-152.3143.1141.2-98.3-17.1000109.2I71I71-N73 PolarHBondContact O-N 3.22Å
74G28.7Very low27.4Very low67 Ų67157.2 Ų157.269%0.69181%0.814SS**SBendtrans-53.3139.6-154.800000118
75T30.3Very low27.5Very low139 Ų139151.3 Ų151.385%0.85380%0.797SS**SBendtrans57.980146.255.80000119
76S26.2Very low28.3Very low113 Ų113145.4 Ų145.479%0.7978%0.781SS**  164.9108.1118.7-780000109.7V78S76-V78 PolarHBondContact O-N 3.47Å
77S24Very low29.3Very low116 Ų116145.8 Ų145.881%0.81178%0.778SS**  trans-78.6103.8176.454.80000110.6
78V27.5Very low30.2Very low122 Ų122142.6 Ų142.674%0.73977%0.77SS**  trans-91.7110.9165.1-179.60000108.4S76 V80S76-V78 PolarHBondContact O-N 3.47Å; V78-V80 HydrophobicContact CG1-CG2 4.31Å; V78-V80 PolarHBondContact O-N 3.15Å
79I26.9Very low32.1Very low159 Ų159139.1 Ų139.182%0.81575%0.752SS**  trans-73.1107.1173-62.8169000107.7
80V28.2Very low34Very low125 Ų125129.5 Ų129.576%0.75872%0.716SS**  trans-91.7109.7170.1-177.60000108.7V78 R82V78-V80 HydrophobicContact CG1-CG2 4.31Å; V78-V80 PolarHBondContact O-N 3.15Å; V80-R82 PolarHBondContact O-N 2.66Å
81S25.3Very low35.8Very low88 Ų88125.9 Ų125.962%0.61570%0.699SS**  trans-63.2126.8173.460.50000110.6K83S81-K83 PolarHBondContact O-N 3.34Å
82R31.1Very low37.7Very low258 Ų258124.7 Ų124.797%0.97469%0.688SS**  trans-60.793.5170-86179.6169.8172.2-3.4110.4V80V80-R82 PolarHBondContact O-N 2.66Å
83K30Very low39.7Very low190 Ų190124 Ų12483%0.82667%0.673SS**PPolyproline II helixtrans-103137.3155.9-90.3-176.6175.2177.70108.4S81S81-K83 PolarHBondContact O-N 3.34Å
84R33.3Very low41.7Very low239 Ų239117.4 Ų117.490%0.90264%0.637SS**PPolyproline II helixtrans-49.6136.1176.2-74.7178.9178.5176.2-1.5110.1S86R84-S86 PolarHBondContact O-N 3.31Å
85P35.6Very low43.5Very low81 Ų81117.9 Ų117.953%0.52662%0.623SS.*PPolyproline II helixtrans-71117.31724.79000108.1
86S41.4Very low45.6Very low81 Ų81115.5 Ų115.557%0.56661%0.605SS**PPolyproline II helixtrans-62.3146.8155.750.10000108.3R84 G88 N89R84-S86 PolarHBondContact O-N 3.31Å; S86-G88 PolarHBondContact O-N 3.36Å; S86-N89 PolarHBondContact O-N 3.42Å
87E46.4Very low47.7Very low171 Ų171112 Ų11280%0.79958%0.58SS**Hα-helixtrans-51.7-24.3-177.8-75.7169.9146.100113.8N89E87-N89 PolarHBondContact O-N 2.85Å
88G50.4Low50Low58 Ų58108.2 Ų108.260%0.59855%0.55SS**Hα-helixtrans-76-10.9175.900000116.7S86S86-G88 PolarHBondContact O-N 3.36Å
89N60.4Low52.2Low68 Ų68108.9 Ų108.936%0.36454%0.543SS..Hα-helixtrans-95.9-23.4-178.3-129.241.9000113.5S86 E87 Q91 K92 E93S86-N89 PolarHBondContact O-N 3.42Å; E87-N89 PolarHBondContact O-N 2.85Å; N89-Q91 PolarHBondContact O-N 3.26Å; N89-K92 PolarHBondContact O-N 3.47Å; N89-E93 PolarHBondContact ND2-OE1 3.19Å; N89-E93 WeakPolarHBondContact O-CB 3.5Å; N89-E93 WeakPolarHBondContact O-CG 3.41Å; N89-E93 PolarHBondContact O-N 2.93Å
90Y63Low54.5Low39 Ų39107.8 Ų107.815%0.15353%0.53CS..Hα-helixtrans-62.3-42.8-177.1174.5-107.5000112.4K10 E13 K92 E93 K94K10-Y90 WeakPolarHBondContact CA-OH 3.46Å; K10-Y90 HydrophobicContact CB-CD2 4.46Å; K10-Y90 HydrophobicContact CB-CE1 4.11Å; K10-Y90 HydrophobicContact CB-CE2 3.72Å; K10-Y90 HydrophobicContact CD-CD1 4.1Å; K10-Y90 HydrophobicContact CD-CD2 3.79Å; K10-Y90 HydrophobicContact CD-CE1 4.21Å; K10-Y90 HydrophobicContact CD-CE2 3.92Å; K10-Y90 HydrophobicContact CD-CG 3.89Å; K10-Y90 HydrophobicContact CG-CD1 4.07Å; K10-Y90 HydrophobicContact CG-CD2 4.23Å; K10-Y90 HydrophobicContact CG-CE1 3.72Å; K10-Y90 HydrophobicContact CG-CE2 3.91Å; K10-Y90 HydrophobicContact CG-CG 4.32Å; K10-Y90 PolarHBondContact O-OH 3.39Å; E13-Y90 WeakPolarHBondContact OE2-CE1 3.49Å; Y90-K92 VanDerWaalsContact C-N 3.34Å; Y90-K92 PolarHBondContact O-N 3.3Å; Y90-E93 PolarHBondContact O-N 3.11Å; Y90-K94 HydrophobicContact CE1-CD 4.27Å; Y90-K94 VanDerWaalsContact O-CB 3.24Å; Y90-K94 WeakPolarHBondContact O-CB 3.24Å; Y90-K94 PolarHBondContact O-N 3.47Å
91Q62.2Low56.7Low94 Ų94102.1 Ų102.144%0.43950%0.495SS..Hα-helixtrans-64.3-39.3-179.6-162.265.323.700112.2N89 K94 D95N89-Q91 PolarHBondContact O-N 3.26Å; Q91-K94 PolarHBondContact O-N 3.12Å; Q91-D95 WeakPolarHBondContact O-CB 3.37Å; Q91-D95 PolarHBondContact O-N 3.06Å
92K66.8Low58.9Low140 Ų140102.5 Ų102.561%0.60949%0.49SS*.Hα-helixtrans-69-40.1176.8-69.8-179.9178.71760112.1N89 Y90 L96N89-K92 PolarHBondContact O-N 3.47Å; Y90-K92 VanDerWaalsContact C-N 3.34Å; Y90-K92 PolarHBondContact O-N 3.3Å; K92-L96 WeakPolarHBondContact O-CB 3.47Å; K92-L96 WeakPolarHBondContact O-CD1 3.4Å; K92-L96 WeakPolarHBondContact O-CG 3.41Å; K92-L96 PolarHBondContact O-N 3.02Å
93E68.4Low61Low92 Ų9297.4 Ų97.443%0.4348%0.477SS..Hα-helixtrans-67.9-37.7176-73.7171.1-166.400111.6N89 Y90 L96 C97N89-E93 PolarHBondContact ND2-OE1 3.19Å; N89-E93 WeakPolarHBondContact O-CB 3.5Å; N89-E93 WeakPolarHBondContact O-CG 3.41Å; N89-E93 PolarHBondContact O-N 2.93Å; Y90-E93 PolarHBondContact O-N 3.11Å; E93-L96 PolarHBondContact O-N 2.65Å; E93-C97 VanDerWaalsContact O-CB 3.29Å; E93-C97 WeakPolarHBondContact O-CB 3.33Å; E93-C97 PolarHBondContact O-N 3.34Å
94K69.4Low63.4Low25 Ų2593 Ų9311%0.10946%0.456CS..Hα-helixtrans-60.6-50.3171.8178-179.3-175.9175.70111.5E13 L14 S17 Y90 Q91 L96 C97 I98E13-K94 WeakPolarHBondContact O-CE 3.4Å; E13-K94 PolarHBondContact O-NZ 2.85Å; L14-K94 HydrophobicContact CD1-CG 3.88Å; S17-K94 WeakPolarHBondContact OG-CE 3.09Å; Y90-K94 HydrophobicContact CE1-CD 4.27Å; Y90-K94 VanDerWaalsContact O-CB 3.24Å; Y90-K94 WeakPolarHBondContact O-CB 3.24Å; Y90-K94 PolarHBondContact O-N 3.47Å; Q91-K94 PolarHBondContact O-N 3.12Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 3.48Å; K94-C97 WeakPolarHBondContact O-CB 3.47Å; K94-C97 PolarHBondContact O-N 3.49Å; K94-C97 VanDerWaalsContact O-N 3.14Å; K94-I98 HydrophobicContact CG-CD1 4.04Å; K94-I98 WeakPolarHBondContact O-CG1 3.28Å; K94-I98 PolarHBondContact O-N 3.45Å
95D67.6Low65.5Low77 Ų7784 Ų8441%0.41243%0.43SS..Hα-helixtrans-64.8-34.6179.9-66.8-19.9000112.1Q91 K99Q91-D95 WeakPolarHBondContact O-CB 3.37Å; Q91-D95 PolarHBondContact O-N 3.06Å; D95-K99 WeakPolarHBondContact O-CG 3.35Å; D95-K99 PolarHBondContact O-N 2.98Å; D95-K99 VanDerWaalsContact O-N 3.15Å
96L73.3Confident67.2Low90 Ų9087.5 Ų87.547%0.47144%0.439SS..Hα-helixtrans-67.2-43.8171.6-82.4160.9000111.6K92 E93 K94 I98 K99 Y100K92-L96 WeakPolarHBondContact O-CB 3.47Å; K92-L96 WeakPolarHBondContact O-CD1 3.4Å; K92-L96 WeakPolarHBondContact O-CG 3.41Å; K92-L96 PolarHBondContact O-N 3.02Å; E93-L96 PolarHBondContact O-N 2.65Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 3.48Å; L96-I98 VanDerWaalsContact C-N 3.35Å; L96-I98 PolarHBondContact O-N 2.86Å; L96-K99 PolarHBondContact O-N 3.13Å; L96-Y100 HydrophobicContact CD2-CE2 4.34Å; L96-Y100 WeakPolarHBondContact O-CD2 3.33Å; L96-Y100 PolarHBondContact O-N 3.26Å
97C71.1Confident68.7Low39 Ų3987.4 Ų87.426%0.26444%0.438SS..Hα-helixtrans-59.3-44.9177.5-163.90000111.3L14 E93 K94 K99 Y100 F101L14-C97 HydrophobicContact CD1-CB 4.47Å; E93-C97 VanDerWaalsContact O-CB 3.29Å; E93-C97 WeakPolarHBondContact O-CB 3.33Å; E93-C97 PolarHBondContact O-N 3.34Å; K94-C97 WeakPolarHBondContact O-CB 3.47Å; K94-C97 PolarHBondContact O-N 3.49Å; K94-C97 VanDerWaalsContact O-N 3.14Å; C97-K99 PolarHBondContact O-N 2.91Å; C97-Y100 PolarHBondContact O-N 3.22Å; C97-F101 VanDerWaalsContact O-CB 3.28Å; C97-F101 WeakPolarHBondContact O-CB 3.27Å; C97-F101 PolarHBondContact O-N 3.44Å
98I72.3Confident70.1Confident36 Ų3682.7 Ų82.719%0.18542%0.419CS..Hα-helixtrans-63.6-40.5176.5-63.4164.8000111.1S17 K94 L96 Y100 F101 D102S17-I98 WeakPolarHBondContact OG-CD1 3.4Å; K94-I98 HydrophobicContact CG-CD1 4.04Å; K94-I98 WeakPolarHBondContact O-CG1 3.28Å; K94-I98 PolarHBondContact O-N 3.45Å; L96-I98 VanDerWaalsContact C-N 3.35Å; L96-I98 PolarHBondContact O-N 2.86Å; I98-Y100 PolarHBondContact O-N 3.35Å; I98-F101 WeakPolarHBondContact O-CB 3.44Å; I98-F101 PolarHBondContact O-N 3.33Å; I98-D102 PolarHBondContact O-N 3.41Å
99K72.1Confident71.3Confident137 Ų13781 Ų8160%0.59640%0.395SS*.Hα-helixtrans-64.6-36.5176-77177.1-177.7179.80113.6D95 L96 C97 Q103D95-K99 WeakPolarHBondContact O-CG 3.35Å; D95-K99 PolarHBondContact O-N 2.98Å; D95-K99 VanDerWaalsContact O-N 3.15Å; L96-K99 PolarHBondContact O-N 3.13Å; C97-K99 PolarHBondContact O-N 2.91Å; K99-Q103 WeakPolarHBondContact O-CG 3.46Å
100Y75.8Confident72Confident135 Ų13578.8 Ų78.853%0.52938%0.384SS..Hα-helixtrans-71.5-40.3173.4-75.7-61.3000111.2L96 C97 I98 D102 Q103 W104L96-Y100 HydrophobicContact CD2-CE2 4.34Å; L96-Y100 WeakPolarHBondContact O-CD2 3.33Å; L96-Y100 PolarHBondContact O-N 3.26Å; C97-Y100 PolarHBondContact O-N 3.22Å; I98-Y100 PolarHBondContact O-N 3.35Å; Y100-D102 VanDerWaalsContact C-N 3.33Å; Y100-D102 PolarHBondContact O-N 2.99Å; Y100-Q103 PolarHBondContact O-N 3.18Å; Y100-W104 PolarHBondContact O-N 3.35Å; Y100-W104 PolarHBondContact O-NE1 3.14Å
101F74.9Confident72.6Confident6 Ų683.4 Ų83.43%0.02641%0.407CS..Hα-helixtrans-57.6-44.1175.9-172-92.1000111.8V18 L22 C97 I98 Q103 W104 Q109 F112 V113V18-F101 HydrophobicContact CG1-CD1 4.45Å; V18-F101 HydrophobicContact CG1-CE1 3.63Å; V18-F101 HydrophobicContact CG1-CZ 3.81Å; L22-F101 HydrophobicContact CD1-CE1 4Å; L22-F101 HydrophobicContact CD1-CZ 3.96Å; L22-F101 HydrophobicContact CD2-CE1 4.28Å; L22-F101 HydrophobicContact CD2-CZ 3.68Å; L22-F101 HydrophobicContact CG-CZ 4.4Å; C97-F101 VanDerWaalsContact O-CB 3.28Å; C97-F101 WeakPolarHBondContact O-CB 3.27Å; C97-F101 PolarHBondContact O-N 3.44Å; I98-F101 WeakPolarHBondContact O-CB 3.44Å; I98-F101 PolarHBondContact O-N 3.33Å; F101-Q103 PolarHBondContact O-N 3.12Å; F101-W104 AromaticContact CD2-CE3 3.89Å; F101-W104 HydrophobicContact CD2-CE3 3.89Å; F101-W104 AromaticContact CD2-CZ3 3.97Å; F101-W104 HydrophobicContact CD2-CZ3 3.97Å; F101-W104 HydrophobicContact CE2-CE3 4.47Å; F101-W104 WeakPolarHBondContact O-CB 3.33Å; F101-W104 PolarHBondContact O-N 2.94Å; F101-W104 VanDerWaalsContact O-N 3.16Å; F101-Q109 HydrophobicContact CD1-CG 4.36Å; F101-Q109 HydrophobicContact CD2-CG 4.3Å; F101-Q109 HydrophobicContact CE1-CB 4.26Å; F101-Q109 HydrophobicContact CE1-CG 3.94Å; F101-Q109 HydrophobicContact CE2-CB 3.83Å; F101-Q109 HydrophobicContact CE2-CG 3.87Å; F101-Q109 HydrophobicContact CZ-CB 3.58Å; F101-Q109 HydrophobicContact CZ-CG 3.68Å; F101-Q109 PolarHBondContact O-NE2 3.16Å; F101-F112 AromaticContact CD2-CD1 3.88Å; F101-F112 HydrophobicContact CD2-CD1 3.88Å; F101-F112 HydrophobicContact CD2-CE1 4.23Å; F101-F112 AromaticContact CE2-CD1 3.77Å; F101-F112 HydrophobicContact CE2-CD1 3.77Å; F101-F112 HydrophobicContact CE2-CE1 4.45Å; F101-V113 HydrophobicContact CE2-CG2 4.15Å; F101-V113 HydrophobicContact CZ-CG2 4.13Å
102D71.8Confident73.4Confident96 Ų9681.8 Ų81.851%0.51340%0.398SS..THydrogen-bonded Turntrans-64.8-18.6176.8-74.7-18.9000114P19 I98 Y100P19-D102 VanDerWaalsContact CG-OD1 3.27Å; P19-D102 WeakPolarHBondContact CG-OD1 3.04Å; I98-D102 PolarHBondContact O-N 3.41Å; Y100-D102 VanDerWaalsContact C-N 3.33Å; Y100-D102 PolarHBondContact O-N 2.99Å
103Q75.3Confident73.8Confident152 Ų15275.1 Ų75.171%0.7137%0.37SS*.THydrogen-bonded Turntrans-93-8.8178.4-68.4175.31000113.2K99 Y100 F101K99-Q103 WeakPolarHBondContact O-CG 3.46Å; Y100-Q103 PolarHBondContact O-N 3.18Å; F101-Q103 PolarHBondContact O-N 3.12Å
104W79.8Confident74.2Confident97 Ų9775 Ų7537%0.36737%0.369SS..SBendtrans-79.6159.1-179.4-67.6-7.7000112.4Y100 F101 D108 Q109 F112Y100-W104 PolarHBondContact O-N 3.35Å; Y100-W104 PolarHBondContact O-NE1 3.14Å; F101-W104 AromaticContact CD2-CE3 3.89Å; F101-W104 HydrophobicContact CD2-CE3 3.89Å; F101-W104 AromaticContact CD2-CZ3 3.97Å; F101-W104 HydrophobicContact CD2-CZ3 3.97Å; F101-W104 HydrophobicContact CE2-CE3 4.47Å; F101-W104 WeakPolarHBondContact O-CB 3.33Å; F101-W104 PolarHBondContact O-N 2.94Å; F101-W104 VanDerWaalsContact O-N 3.16Å; W104-D108 HydrophobicContact CB-CB 4.23Å; W104-Q109 HydrophobicContact CB-CG 3.83Å; W104-Q109 PolarHBondContact O-NE2 3.25Å; W104-F112 HydrophobicContact CE3-CB 4.4Å; W104-F112 AromaticContact CH2-CD2 3.95Å; W104-F112 HydrophobicContact CH2-CD2 3.95Å; W104-F112 HydrophobicContact CH2-CE2 4.19Å; W104-F112 HydrophobicContact CH2-CG 4.24Å; W104-F112 HydrophobicContact CZ3-CB 3.73Å; W104-F112 HydrophobicContact CZ3-CD1 4Å; W104-F112 AromaticContact CZ3-CD2 3.74Å; W104-F112 HydrophobicContact CZ3-CD2 3.74Å; W104-F112 HydrophobicContact CZ3-CE2 4.31Å; W104-F112 AromaticContact CZ3-CG 3.56Å; W104-F112 HydrophobicContact CZ3-CG 3.56Å
105S76.8Confident74.5Confident51 Ų5178.5 Ų78.536%0.35739%0.385SS..  trans-71.1156.7171.774.40000110.5S107 D108 Q109S105-S107 PolarHBondContact O-N 3.1Å; S105-S107 PolarHBondContact OG-OG 3.05Å; S105-D108 PolarHBondContact O-N 3.22Å; S105-D108 VanDerWaalsContact O-N 3.12Å; S105-D108 PolarHBondContact OG-N 3.43Å; S105-D108 PolarHBondContact OG-OD1 3.12Å; S105-D108 PolarHBondContact OG-OD2 3.32Å; S105-Q109 WeakPolarHBondContact O-CG 3.45Å; S105-Q109 PolarHBondContact O-N 3.2Å
106E72.9Confident74.8Confident153 Ų15376 Ų7672%0.71537%0.372SS*.Hα-helixtrans-57.1-33.8178.8-70.1-176.6169.900112.2V110E106-V110 VanDerWaalsContact O-CG2 3.27Å; E106-V110 WeakPolarHBondContact O-CG2 3.3Å; E106-V110 PolarHBondContact O-N 2.92Å; E106-V110 VanDerWaalsContact O-N 3.15Å
107S73.1Confident75Confident79 Ų7973.4 Ų73.455%0.55236%0.358SS*.Hα-helixtrans-66.3-43.1177550000112.4S105 Q109 V110 E111S105-S107 PolarHBondContact O-N 3.1Å; S105-S107 PolarHBondContact OG-OG 3.05Å; S107-Q109 VanDerWaalsContact C-N 3.34Å; S107-V110 PolarHBondContact O-N 2.98Å; S107-E111 PolarHBondContact O-N 3.2Å
108D74.8Confident75.2Confident73 Ų7375.7 Ų75.739%0.3938%0.375SS..Hα-helixtrans-73.5-32.7-176.2-53.6-23.6000110.8W104 S105 F112W104-D108 HydrophobicContact CB-CB 4.23Å; S105-D108 PolarHBondContact O-N 3.22Å; S105-D108 VanDerWaalsContact O-N 3.12Å; S105-D108 PolarHBondContact OG-N 3.43Å; S105-D108 PolarHBondContact OG-OD1 3.12Å; S105-D108 PolarHBondContact OG-OD2 3.32Å; D108-F112 WeakPolarHBondContact O-CB 3.47Å; D108-F112 PolarHBondContact O-N 3.01Å
109Q76.6Confident75.3Confident22 Ų2282.9 Ų82.910%0.10340%0.4CS..Hα-helixtrans-64-41.7171.9-71.2172.3-11.800111.7L22 F101 W104 S105 S107 V113L22-Q109 HydrophobicContact CD1-CB 3.59Å; L22-Q109 HydrophobicContact CD1-CG 4.11Å; L22-Q109 HydrophobicContact CD2-CB 4.43Å; F101-Q109 HydrophobicContact CD1-CG 4.36Å; F101-Q109 HydrophobicContact CD2-CG 4.3Å; F101-Q109 HydrophobicContact CE1-CB 4.26Å; F101-Q109 HydrophobicContact CE1-CG 3.94Å; F101-Q109 HydrophobicContact CE2-CB 3.83Å; F101-Q109 HydrophobicContact CE2-CG 3.87Å; F101-Q109 HydrophobicContact CZ-CB 3.58Å; F101-Q109 HydrophobicContact CZ-CG 3.68Å; F101-Q109 PolarHBondContact O-NE2 3.16Å; W104-Q109 HydrophobicContact CB-CG 3.83Å; W104-Q109 PolarHBondContact O-NE2 3.25Å; S105-Q109 WeakPolarHBondContact O-CG 3.45Å; S105-Q109 PolarHBondContact O-N 3.2Å; S107-Q109 VanDerWaalsContact C-N 3.34Å; Q109-V113 VanDerWaalsContact O-CG2 3.27Å; Q109-V113 WeakPolarHBondContact O-CG2 3.46Å; Q109-V113 PolarHBondContact O-N 2.77Å; Q109-V113 VanDerWaalsContact O-N 3.11Å
110V74Confident75.4Confident22 Ų2277.2 Ų77.213%0.13338%0.375CS..Hα-helixtrans-67-48.1177.5171.70000111.1C26 L29 E106 S107 F112 V113 E114C26-V110 HydrophobicContact CB-CG2 4.47Å; C26-V110 VanDerWaalsContact SG-CG2 3.6Å; L29-V110 HydrophobicContact CD1-CG2 4.25Å; E106-V110 VanDerWaalsContact O-CG2 3.27Å; E106-V110 WeakPolarHBondContact O-CG2 3.3Å; E106-V110 PolarHBondContact O-N 2.92Å; E106-V110 VanDerWaalsContact O-N 3.15Å; S107-V110 PolarHBondContact O-N 2.98Å; V110-F112 VanDerWaalsContact C-N 3.28Å; V110-F112 PolarHBondContact O-N 3.15Å; V110-V113 PolarHBondContact O-N 3.28Å; V110-V113 VanDerWaalsContact O-N 3.13Å; V110-E114 HydrophobicContact CG1-CG 4.29Å; V110-E114 WeakPolarHBondContact O-CG 3.37Å; V110-E114 PolarHBondContact O-N 3.2Å
111E76.4Confident75.5Confident135 Ų13572.8 Ų72.863%0.63136%0.364SS*.Hα-helixtrans-59.8-40.3179.4-170.6-180179.200111.6S107 E114 H115S107-E111 PolarHBondContact O-N 3.2Å; E111-E114 PolarHBondContact O-N 3.13Å; E111-H115 WeakPolarHBondContact O-CB 3.27Å; E111-H115 PolarHBondContact O-N 3.41Å
112F77.8Confident75.2Confident60 Ų6079.6 Ų79.626%0.26340%0.395SS..Hα-helixtrans-62.8-44.6175.1-180-104.1000112.6F101 W104 D108 V110 H115 L116F101-F112 AromaticContact CD2-CD1 3.88Å; F101-F112 HydrophobicContact CD2-CD1 3.88Å; F101-F112 HydrophobicContact CD2-CE1 4.23Å; F101-F112 AromaticContact CE2-CD1 3.77Å; F101-F112 HydrophobicContact CE2-CD1 3.77Å; F101-F112 HydrophobicContact CE2-CE1 4.45Å; W104-F112 HydrophobicContact CE3-CB 4.4Å; W104-F112 AromaticContact CH2-CD2 3.95Å; W104-F112 HydrophobicContact CH2-CD2 3.95Å; W104-F112 HydrophobicContact CH2-CE2 4.19Å; W104-F112 HydrophobicContact CH2-CG 4.24Å; W104-F112 HydrophobicContact CZ3-CB 3.73Å; W104-F112 HydrophobicContact CZ3-CD1 4Å; W104-F112 AromaticContact CZ3-CD2 3.74Å; W104-F112 HydrophobicContact CZ3-CD2 3.74Å; W104-F112 HydrophobicContact CZ3-CE2 4.31Å; W104-F112 AromaticContact CZ3-CG 3.56Å; W104-F112 HydrophobicContact CZ3-CG 3.56Å; D108-F112 WeakPolarHBondContact O-CB 3.47Å; D108-F112 PolarHBondContact O-N 3.01Å; V110-F112 VanDerWaalsContact C-N 3.28Å; V110-F112 PolarHBondContact O-N 3.15Å; F112-H115 PolarHBondContact O-N 2.8Å; F112-L116 HydrophobicContact CD1-CD1 4.07Å; F112-L116 HydrophobicContact CE1-CD1 3.44Å; F112-L116 VanDerWaalsContact CE1-CD1 3.44Å; F112-L116 HydrophobicContact CE2-CD1 4.43Å; F112-L116 HydrophobicContact CZ-CD1 3.65Å; F112-L116 WeakPolarHBondContact O-CB 3.26Å; F112-L116 PolarHBondContact O-N 3.37Å
113V76.4Confident75.3Confident1 Ų181.4 Ų81.41%0.00640%0.396CS..Hα-helixtrans-67-41.5178.71700000111.3M15 L22 W23 L29 F101 Q109 V110 H115 L116 I117M15-V113 HydrophobicContact CE-CG1 4.23Å; L22-V113 HydrophobicContact CD2-CG2 3.79Å; W23-V113 HydrophobicContact CH2-CG1 4.02Å; W23-V113 HydrophobicContact CZ3-CG1 4.4Å; L29-V113 HydrophobicContact CD2-CG1 3.98Å; F101-V113 HydrophobicContact CE2-CG2 4.15Å; F101-V113 HydrophobicContact CZ-CG2 4.13Å; Q109-V113 VanDerWaalsContact O-CG2 3.27Å; Q109-V113 WeakPolarHBondContact O-CG2 3.46Å; Q109-V113 PolarHBondContact O-N 2.77Å; Q109-V113 VanDerWaalsContact O-N 3.11Å; V110-V113 PolarHBondContact O-N 3.28Å; V110-V113 VanDerWaalsContact O-N 3.13Å; V113-H115 PolarHBondContact O-N 3.12Å; V113-L116 WeakPolarHBondContact O-CB 3.44Å; V113-L116 PolarHBondContact O-N 3.24Å; V113-I117 HydrophobicContact CG1-CD1 3.77Å; V113-I117 HydrophobicContact CG1-CG1 4.39Å; V113-I117 VanDerWaalsContact O-CG1 3.3Å; V113-I117 WeakPolarHBondContact O-CG1 3.36Å; V113-I117 PolarHBondContact O-N 3.26Å
114E76.1Confident75.1Confident88 Ų8874.6 Ų74.641%0.41136%0.364SS..Hα-helixtrans-60.3-45174.8-75.8-173.8163.200111.7V110 E111 L116 I117 S118V110-E114 HydrophobicContact CG1-CG 4.29Å; V110-E114 WeakPolarHBondContact O-CG 3.37Å; V110-E114 PolarHBondContact O-N 3.2Å; E111-E114 PolarHBondContact O-N 3.13Å; E114-L116 VanDerWaalsContact C-N 3.3Å; E114-L116 PolarHBondContact O-N 2.97Å; E114-I117 PolarHBondContact O-N 2.86Å; E114-S118 WeakPolarHBondContact O-CB 3.27Å; E114-S118 PolarHBondContact O-N 2.78Å
115H75.8Confident74.8Confident99 Ų9972.7 Ų72.746%0.45836%0.359SS..Hα-helixtrans-63.5-37176.5-169.367.5000112.2E111 F112 V113 S118 R119E111-H115 WeakPolarHBondContact O-CB 3.27Å; E111-H115 PolarHBondContact O-N 3.41Å; F112-H115 PolarHBondContact O-N 2.8Å; V113-H115 PolarHBondContact O-N 3.12Å; H115-S118 PolarHBondContact O-OG 3.05Å; H115-R119 PolarHBondContact CE1-NE 3.39Å; H115-R119 PolarHBondContact CE1-NH2 3.16Å; H115-R119 VanDerWaalsContact NE2-CZ 3.27Å; H115-R119 PolarHBondContact NE2-NE 3.42Å; H115-R119 PolarHBondContact NE2-NH2 3.36Å; H115-R119 WeakPolarHBondContact O-CG 3.49Å; H115-R119 PolarHBondContact O-N 3.45Å
116L75Confident74.6Confident26 Ų2671.8 Ų71.814%0.13636%0.358CS..Hα-helixtrans-66.4-45.4175.9-123.5152.1000111.8T11 L14 M15 F112 V113 E114 S118 R119 M120T11-L116 HydrophobicContact CG2-CD2 3.47Å; T11-L116 VanDerWaalsContact CG2-CD2 3.47Å; L14-L116 HydrophobicContact CD2-CD1 4.37Å; M15-L116 HydrophobicContact CG-CD2 4.12Å; M15-L116 HydrophobicContact SD-CB 4.13Å; M15-L116 HydrophobicContact SD-CD1 4.1Å; M15-L116 HydrophobicContact SD-CD2 3.96Å; M15-L116 HydrophobicContact SD-CG 4.29Å; F112-L116 HydrophobicContact CD1-CD1 4.07Å; F112-L116 HydrophobicContact CE1-CD1 3.44Å; F112-L116 VanDerWaalsContact CE1-CD1 3.44Å; F112-L116 HydrophobicContact CE2-CD1 4.43Å; F112-L116 HydrophobicContact CZ-CD1 3.65Å; F112-L116 WeakPolarHBondContact O-CB 3.26Å; F112-L116 PolarHBondContact O-N 3.37Å; V113-L116 WeakPolarHBondContact O-CB 3.44Å; V113-L116 PolarHBondContact O-N 3.24Å; E114-L116 VanDerWaalsContact C-N 3.3Å; E114-L116 PolarHBondContact O-N 2.97Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 3.45Å; L116-R119 PolarHBondContact O-N 3.31Å; L116-M120 HydrophobicContact CB-CE 4.48Å; L116-M120 HydrophobicContact CD2-CE 3.37Å; L116-M120 WeakPolarHBondContact O-CG 3.37Å
117I76.3Confident74.6Confident34 Ų3468.7 Ų68.717%0.17434%0.343CS..Hα-helixtrans-64-38.9177.3-67.3168.6000110.8M15 L29 V113 E114 R119 M120 H125M15-I117 HydrophobicContact CE-CD1 4.27Å; M15-I117 HydrophobicContact CE-CG1 3.79Å; L29-I117 HydrophobicContact CD2-CD1 4.25Å; V113-I117 HydrophobicContact CG1-CD1 3.77Å; V113-I117 HydrophobicContact CG1-CG1 4.39Å; V113-I117 VanDerWaalsContact O-CG1 3.3Å; V113-I117 WeakPolarHBondContact O-CG1 3.36Å; V113-I117 PolarHBondContact O-N 3.26Å; E114-I117 PolarHBondContact O-N 2.86Å; I117-R119 PolarHBondContact O-N 3.29Å; I117-M120 PolarHBondContact O-N 3.41Å; I117-H125 PolarHBondContact O-NE2 2.92Å
118S74.9Confident74.6Confident87 Ų8765.5 Ų65.561%0.60832%0.32SS*.Hα-helixtrans-64.2-22.5-179.878.10000114.2E114 H115 L116E114-S118 WeakPolarHBondContact O-CB 3.27Å; E114-S118 PolarHBondContact O-N 2.78Å; H115-S118 PolarHBondContact O-OG 3.05Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 3.45Å
119R75.3Confident74.4Confident188 Ų18865.5 Ų65.571%0.70932%0.32SS*.THydrogen-bonded Turntrans-97.3-2.6-178.3-70.3-175.5174.7-159.1-3113.9H115 L116 I117H115-R119 PolarHBondContact CE1-NE 3.39Å; H115-R119 PolarHBondContact CE1-NH2 3.16Å; H115-R119 VanDerWaalsContact NE2-CZ 3.27Å; H115-R119 PolarHBondContact NE2-NE 3.42Å; H115-R119 PolarHBondContact NE2-NH2 3.36Å; H115-R119 WeakPolarHBondContact O-CG 3.49Å; H115-R119 PolarHBondContact O-N 3.45Å; L116-R119 PolarHBondContact O-N 3.31Å; I117-R119 PolarHBondContact O-N 3.29Å
120M74.4Confident74.3Confident17 Ų1768.5 Ų68.58%0.08434%0.343CS..  trans-85.1150.1-177.7-76.4168.4-173.600112.8T11 M15 L116 I117 Q124 H125 I128T11-M120 HydrophobicContact CG2-CE 3.6Å; T11-M120 HydrophobicContact CG2-CG 4.41Å; M15-M120 HydrophobicContact CE-CE 4.06Å; M15-M120 HydrophobicContact CG-CE 3.34Å; M15-M120 HydrophobicContact SD-CE 3.96Å; L116-M120 HydrophobicContact CB-CE 4.48Å; L116-M120 HydrophobicContact CD2-CE 3.37Å; L116-M120 WeakPolarHBondContact O-CG 3.37Å; I117-M120 PolarHBondContact O-N 3.41Å; M120-Q124 VanDerWaalsContact CA-OE1 3.3Å; M120-Q124 HydrophobicContact CB-CB 4.1Å; M120-Q124 HydrophobicContact CG-CB 4.22Å; M120-H125 WeakPolarHBondContact CB-NE2 3.3Å; M120-I128 HydrophobicContact CE-CD1 3.59Å; M120-I128 HydrophobicContact SD-CD1 3.26Å; M120-I128 WeakPolarHBondContact SD-CD1 3.13Å
121C76.3Confident74.2Confident43 Ų4371.7 Ų71.729%0.29135%0.354SS..  trans-85.4164.7173.675.10000111.7E8 Y123 Q124 H125E8-C121 PolarHBondContact OE1-SG 3.4Å; C121-Y123 PolarHBondContact O-N 3.15Å; C121-Y123 VanDerWaalsContact O-N 3.14Å; C121-Q124 PolarHBondContact O-N 2.84Å; C121-H125 PolarHBondContact O-N 3.43Å; C121-H125 VanDerWaalsContact O-N 3.11Å
122H69.8Low73.8Confident149 Ų14965.4 Ų65.469%0.6932%0.324SS*.Hα-helixtrans-57.4-33.2-175.4-166.6-22000113.2G126H122-G126 PolarHBondContact O-N 3.38Å; H122-G126 VanDerWaalsContact O-N 3.12Å
123Y74.2Confident73.3Confident133 Ų13367.9 Ų67.952%0.52234%0.335SS..Hα-helixtrans-65.4-44.4176.6173.5-107.6000112.3C121 G126 H127C121-Y123 PolarHBondContact O-N 3.15Å; C121-Y123 VanDerWaalsContact O-N 3.14Å; Y123-G126 PolarHBondContact O-N 3.5Å; Y123-H127 AromaticContact CE2-CD2 3.65Å; Y123-H127 AromaticContact CE2-NE2 3.69Å; Y123-H127 AromaticContact CZ-CD2 3.5Å; Y123-H127 AromaticContact CZ-NE2 3.48Å; Y123-H127 PolarHBondContact O-N 3.18Å; Y123-H127 VanDerWaalsContact O-N 3.14Å; Y123-H127 PolarHBondContact OH-NE2 3.14Å; Y123-H127 VanDerWaalsContact OH-NE2 3.1Å
124Q71.5Confident72.6Confident9 Ų972 Ų724%0.04236%0.362CS..Hα-helixtrans-66.5-39.6178-64.9173.4-53.300112E8 I12 M120 C121 G126 H127 I128E8-Q124 HydrophobicContact CB-CG 4.43Å; E8-Q124 PolarHBondContact O-NE2 3.48Å; I12-Q124 HydrophobicContact CD1-CB 4.37Å; I12-Q124 HydrophobicContact CD1-CG 4Å; I12-Q124 HydrophobicContact CG1-CB 4.19Å; I12-Q124 HydrophobicContact CG1-CG 4.04Å; M120-Q124 VanDerWaalsContact CA-OE1 3.3Å; M120-Q124 HydrophobicContact CB-CB 4.1Å; M120-Q124 HydrophobicContact CG-CB 4.22Å; C121-Q124 PolarHBondContact O-N 2.84Å; Q124-G126 VanDerWaalsContact C-N 3.28Å; Q124-G126 PolarHBondContact O-N 3.38Å; Q124-H127 PolarHBondContact O-N 3.44Å; Q124-I128 WeakPolarHBondContact O-CG1 3.48Å; Q124-I128 PolarHBondContact O-N 3.44Å
125H73.4Confident71.9Confident58 Ų5869.1 Ų69.127%0.26935%0.348SS..Hα-helixtrans-60.2-38.7172.1-70.2160.7000112I117 M120 C121 N129I117-H125 PolarHBondContact O-NE2 2.92Å; M120-H125 WeakPolarHBondContact CB-NE2 3.3Å; C121-H125 PolarHBondContact O-N 3.43Å; C121-H125 VanDerWaalsContact O-N 3.11Å; H125-N129 WeakPolarHBondContact O-CB 3.3Å; H125-N129 PolarHBondContact O-N 3.17Å
126G71.6Confident71.2Confident32 Ų3267.6 Ų67.633%0.3334%0.343SS..Hα-helixtrans-62.2-42.1175.300000113.1H122 Y123 Q124 S130H122-G126 PolarHBondContact O-N 3.38Å; H122-G126 VanDerWaalsContact O-N 3.12Å; Y123-G126 PolarHBondContact O-N 3.5Å; Q124-G126 VanDerWaalsContact C-N 3.28Å; Q124-G126 PolarHBondContact O-N 3.38Å; G126-S130 WeakPolarHBondContact O-CB 3.38Å; G126-S130 PolarHBondContact O-N 3.37Å; G126-S130 PolarHBondContact O-OG 3.31Å
127H74.1Confident70.8Confident87 Ų8772.9 Ų72.940%0.40337%0.367SS..Hα-helixtrans-68.1-45.6176.8-97.3-84.7000112.7I12 Y123 Q124 S130 Y131I12-H127 HydrophobicContact CD1-CB 4.06Å; I12-H127 HydrophobicContact CG2-CB 4.48Å; Y123-H127 AromaticContact CE2-CD2 3.65Å; Y123-H127 AromaticContact CE2-NE2 3.69Å; Y123-H127 AromaticContact CZ-CD2 3.5Å; Y123-H127 AromaticContact CZ-NE2 3.48Å; Y123-H127 PolarHBondContact O-N 3.18Å; Y123-H127 VanDerWaalsContact O-N 3.14Å; Y123-H127 PolarHBondContact OH-NE2 3.14Å; Y123-H127 VanDerWaalsContact OH-NE2 3.1Å; Q124-H127 PolarHBondContact O-N 3.44Å; H127-S130 PolarHBondContact O-N 3Å; H127-Y131 PolarHBondContact O-N 3.43Å
128I73Confident70.7Confident12 Ų1277 Ų776%0.06238%0.381CS..Hα-helixtrans-65.9-42.6177.8-69.6168.5000110.5M15 M120 Q124 S130 Y131 L132M15-I128 HydrophobicContact CB-CD1 4Å; M15-I128 HydrophobicContact CB-CG1 4.38Å; M15-I128 HydrophobicContact CE-CD1 4.25Å; M15-I128 HydrophobicContact CG-CD1 3.94Å; M120-I128 HydrophobicContact CE-CD1 3.59Å; M120-I128 HydrophobicContact SD-CD1 3.26Å; M120-I128 WeakPolarHBondContact SD-CD1 3.13Å; Q124-I128 WeakPolarHBondContact O-CG1 3.48Å; Q124-I128 PolarHBondContact O-N 3.44Å; I128-S130 VanDerWaalsContact C-N 3.29Å; I128-S130 PolarHBondContact O-N 2.87Å; I128-Y131 WeakPolarHBondContact O-CB 3.4Å; I128-Y131 PolarHBondContact O-N 2.86Å; I128-Y131 VanDerWaalsContact O-N 3.12Å; I128-L132 HydrophobicContact CG2-CD1 3.5Å; I128-L132 HydrophobicContact CG2-CG 4.01Å; I128-L132 WeakPolarHBondContact O-CB 3.47Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.42Å; I128-L132 PolarHBondContact O-N 3.44Å
129N70.6Confident71Confident73 Ų7375.7 Ų75.739%0.3937%0.367SS..Hα-helixtrans-62.1-38.7174.9-16829.3000111.2H125 Y131 L132 K133H125-N129 WeakPolarHBondContact O-CB 3.3Å; H125-N129 PolarHBondContact O-N 3.17Å; N129-Y131 VanDerWaalsContact C-N 3.32Å; N129-Y131 PolarHBondContact O-N 2.83Å; N129-L132 PolarHBondContact O-N 3.46Å; N129-K133 WeakPolarHBondContact O-CB 3.49Å; N129-K133 PolarHBondContact O-N 3.29Å
130S72.7Confident71.5Confident85 Ų8572.9 Ų72.959%0.59436%0.36SS*.Hα-helixtrans-66.8-31.9174.6-59.60000113G126 H127 I128 P134G126-S130 WeakPolarHBondContact O-CB 3.38Å; G126-S130 PolarHBondContact O-N 3.37Å; G126-S130 PolarHBondContact O-OG 3.31Å; H127-S130 PolarHBondContact O-N 3Å; I128-S130 VanDerWaalsContact C-N 3.29Å; I128-S130 PolarHBondContact O-N 2.87Å; S130-P134 WeakPolarHBondContact O-CD 3.38Å
131Y72.8Confident72.2Confident90 Ų9072.3 Ų72.335%0.35336%0.357SS..Hα-helixtrans-74.6-40.9174.7-179.1-94.9000112.6C16 H127 I128 N129 M135C16-Y131 HydrophobicContact CB-CD1 4.5Å; C16-Y131 HydrophobicContact CB-CD2 4.42Å; C16-Y131 HydrophobicContact CB-CE1 4.19Å; C16-Y131 HydrophobicContact CB-CE2 4.08Å; C16-Y131 PolarHBondContact O-OH 2.87Å; C16-Y131 VanDerWaalsContact O-OH 3.13Å; H127-Y131 PolarHBondContact O-N 3.43Å; I128-Y131 WeakPolarHBondContact O-CB 3.4Å; I128-Y131 PolarHBondContact O-N 2.86Å; I128-Y131 VanDerWaalsContact O-N 3.12Å; N129-Y131 VanDerWaalsContact C-N 3.32Å; N129-Y131 PolarHBondContact O-N 2.83Å; Y131-M135 HydrophobicContact CD1-SD 4.33Å; Y131-M135 HydrophobicContact CE1-SD 3.81Å
132L67.9Low72.7Confident3 Ų371.8 Ų71.82%0.01635%0.353CS..Hα-helixtrans-81.9-32.4-177.1-68.1176.1000113.2W23 M33 I128 N129 M135 L136W23-L132 HydrophobicContact CB-CD2 4.36Å; W23-L132 HydrophobicContact CD2-CD1 4.29Å; W23-L132 HydrophobicContact CD2-CD2 3.48Å; W23-L132 VanDerWaalsContact CD2-CD2 3.48Å; W23-L132 HydrophobicContact CE3-CD1 3.65Å; W23-L132 HydrophobicContact CE3-CD2 3.67Å; W23-L132 HydrophobicContact CE3-CG 4.33Å; W23-L132 HydrophobicContact CG-CD2 3.81Å; W23-L132 HydrophobicContact CH2-CD1 3.86Å; W23-L132 HydrophobicContact CH2-CD2 4.47Å; W23-L132 HydrophobicContact CZ2-CD1 4.47Å; W23-L132 HydrophobicContact CZ2-CD2 4.32Å; W23-L132 HydrophobicContact CZ3-CD1 3.41Å; W23-L132 VanDerWaalsContact CZ3-CD1 3.41Å; W23-L132 HydrophobicContact CZ3-CD2 4.18Å; W23-L132 HydrophobicContact CZ3-CG 4.44Å; M33-L132 HydrophobicContact CE-CD1 4.35Å; M33-L132 HydrophobicContact SD-CD1 4.29Å; I128-L132 HydrophobicContact CG2-CD1 3.5Å; I128-L132 HydrophobicContact CG2-CG 4.01Å; I128-L132 WeakPolarHBondContact O-CB 3.47Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.42Å; I128-L132 PolarHBondContact O-N 3.44Å; N129-L132 PolarHBondContact O-N 3.46Å; L132-M135 CarbonylContact O-C 3.57Å; L132-M135 WeakPolarHBondContact O-CA 3.5Å; L132-M135 WeakPolarHBondContact O-CB 3.02Å; L132-M135 PolarHBondContact O-N 2.67Å; L132-L136 HydrophobicContact CB-CD1 3.8Å; L132-L136 WeakPolarHBondContact O-CG 3.17Å; L132-L136 PolarHBondContact O-N 3.49Å
133K66.8Low73.5Confident111 Ų11166.2 Ų66.248%0.48333%0.333SS..Hα-helixtrans-54.7-43.6-176-177.3177.1-174.3-179.30113.4N129 M135 Q137N129-K133 WeakPolarHBondContact O-CB 3.49Å; N129-K133 PolarHBondContact O-N 3.29Å; K133-M135 VanDerWaalsContact C-N 3.29Å; K133-M135 PolarHBondContact O-N 3.48Å; K133-Q137 WeakPolarHBondContact O-CB 3.32Å; K133-Q137 PolarHBondContact O-N 2.92Å
134P62.3Low74.1Confident88 Ų8860.9 Ų60.957%0.57131%0.313SS*.Hα-helixtrans-68.5-23.7173-17.531000114.2S130S130-P134 WeakPolarHBondContact O-CD 3.38Å
135M62Low74.8Confident27 Ų2761.1 Ų61.113%0.13332%0.316CS..Hα-helixtrans-82.7-33.9178.8-58.8-173.7119.700112.3R20 Y131 L132 K133R20-M135 VanDerWaalsContact CD-CE 3.49Å; R20-M135 HydrophobicContact CG-CE 3.66Å; Y131-M135 HydrophobicContact CD1-SD 4.33Å; Y131-M135 HydrophobicContact CE1-SD 3.81Å; L132-M135 CarbonylContact O-C 3.57Å; L132-M135 WeakPolarHBondContact O-CA 3.5Å; L132-M135 WeakPolarHBondContact O-CB 3.02Å; L132-M135 PolarHBondContact O-N 2.67Å; K133-M135 VanDerWaalsContact C-N 3.29Å; K133-M135 PolarHBondContact O-N 3.48Å
136L61.3Low75.4Confident67 Ų6765.9 Ų65.935%0.35134%0.338SS..Hα-helixtrans-83.2-36.2178.7-71.8160.2000112.1V30 M33 L132 R138V30-L136 HydrophobicContact CG2-CD2 4.43Å; M33-L136 HydrophobicContact CE-CD1 4.03Å; M33-L136 HydrophobicContact SD-CD1 4.42Å; L132-L136 HydrophobicContact CB-CD1 3.8Å; L132-L136 WeakPolarHBondContact O-CG 3.17Å; L132-L136 PolarHBondContact O-N 3.49Å; L136-R138 PolarHBondContact O-N 3.42Å
137Q66.2Low76.2Confident137 Ų13771 Ų7164%0.6435%0.353SS*.SBendtrans-100.379177.5-61.5-179.1-16.900109.5K133K133-Q137 WeakPolarHBondContact O-CB 3.32Å; K133-Q137 PolarHBondContact O-N 2.92Å
138R73.6Confident76.7Confident120 Ų12069.3 Ų69.345%0.45336%0.359SS..  trans-85.6124.9170.2-78.1-177.1172.3144-1.3110L136 F140L136-R138 PolarHBondContact O-N 3.42Å; R138-F140 VanDerWaalsContact C-N 3.34Å; R138-F140 HydrophobicContact CB-CE2 4.35Å; R138-F140 HydrophobicContact CB-CZ 4.34Å; R138-F140 VanDerWaalsContact O-CD2 3.3Å; R138-F140 WeakPolarHBondContact O-CD2 3.46Å; R138-F140 PolarHBondContact O-N 3.08Å
139D82.6Confident77.6Confident61 Ų6171.4 Ų71.433%0.32637%0.371SS..  trans-76.291.4166.2-174.2-8.1000108.8I141 T142 A143 W175D139-I141 PolarHBondContact O-N 3.05Å; D139-I141 PolarHBondContact OD1-N 2.92Å; D139-I141 VanDerWaalsContact OD1-N 3.09Å; D139-T142 VanDerWaalsContact CG-OG1 3.25Å; D139-T142 PolarHBondContact O-N 2.86Å; D139-T142 PolarHBondContact OD1-N 3.38Å; D139-T142 VanDerWaalsContact OD1-N 3.12Å; D139-T142 VanDerWaalsContact OD2-CB 3.31Å; D139-T142 WeakPolarHBondContact OD2-CB 3.3Å; D139-T142 PolarHBondContact OD2-OG1 3.12Å; D139-A143 WeakPolarHBondContact O-CB 3.14Å; D139-A143 PolarHBondContact O-N 2.91Å; D139-W175 PolarHBondContact OD1-NE1 3.35Å; D139-W175 PolarHBondContact OD2-NE1 2.62Å; D139-W175 VanDerWaalsContact OD2-NE1 3.08Å
140F85.4Confident78.5Confident128 Ų12870.3 Ų70.356%0.56137%0.365SS*.Hα-helixtrans-60.3-34.4178.5-67.6-81.4000112.3R138 T142 L144R138-F140 VanDerWaalsContact C-N 3.34Å; R138-F140 HydrophobicContact CB-CE2 4.35Å; R138-F140 HydrophobicContact CB-CZ 4.34Å; R138-F140 VanDerWaalsContact O-CD2 3.3Å; R138-F140 WeakPolarHBondContact O-CD2 3.46Å; R138-F140 PolarHBondContact O-N 3.08Å; F140-T142 VanDerWaalsContact C-N 3.34Å; F140-L144 HydrophobicContact CB-CD1 4.28Å; F140-L144 WeakPolarHBondContact O-CB 3.31Å; F140-L144 VanDerWaalsContact O-CD1 3.29Å; F140-L144 WeakPolarHBondContact O-CD1 3.48Å; F140-L144 WeakPolarHBondContact O-CG 3.49Å; F140-L144 PolarHBondContact O-N 3.36Å
141I87.9Confident79.3Confident5 Ų571 Ų713%0.02636%0.359CS..Hα-helixtrans-76.1-26.9-174.8-56.5-54.9000111.3D139 P145 A153 I156 L157 W175 V178D139-I141 PolarHBondContact O-N 3.05Å; D139-I141 PolarHBondContact OD1-N 2.92Å; D139-I141 VanDerWaalsContact OD1-N 3.09Å; I141-P145 WeakPolarHBondContact O-CD 2.96Å; I141-P145 WeakPolarHBondContact O-CG 3.29Å; I141-A153 HydrophobicContact CD1-CB 4.16Å; I141-I156 HydrophobicContact CD1-CB 4.28Å; I141-I156 HydrophobicContact CD1-CD1 4.48Å; I141-I156 HydrophobicContact CD1-CG2 4.11Å; I141-L157 HydrophobicContact CD1-CD1 4.18Å; I141-L157 HydrophobicContact CD1-CD2 4.09Å; I141-L157 HydrophobicContact CD1-CG 3.85Å; I141-L157 HydrophobicContact CG1-CD2 4.29Å; I141-L157 HydrophobicContact CG1-CG 4.47Å; I141-L157 HydrophobicContact CG2-CD1 4Å; I141-W175 HydrophobicContact CB-CD2 3.92Å; I141-W175 VanDerWaalsContact CB-CE2 3.48Å; I141-W175 HydrophobicContact CB-CG 4.22Å; I141-W175 HydrophobicContact CB-CH2 4.4Å; I141-W175 HydrophobicContact CB-CZ2 3.76Å; I141-W175 HydrophobicContact CG1-CD2 4.13Å; I141-W175 HydrophobicContact CG1-CE3 4.29Å; I141-W175 HydrophobicContact CG1-CH2 3.69Å; I141-W175 HydrophobicContact CG1-CZ2 3.5Å; I141-W175 VanDerWaalsContact CG1-CZ2 3.5Å; I141-W175 HydrophobicContact CG1-CZ3 4.09Å; I141-W175 HydrophobicContact CG2-CB 4.38Å; I141-W175 HydrophobicContact CG2-CD2 3.81Å; I141-W175 HydrophobicContact CG2-CE3 4.39Å; I141-W175 HydrophobicContact CG2-CG 3.76Å; I141-V178 HydrophobicContact CG2-CB 4.3Å; I141-V178 HydrophobicContact CG2-CG1 4.36Å; I141-V178 HydrophobicContact CG2-CG2 4.24Å
142T86.6Confident80.2Confident32 Ų3269.8 Ų69.820%0.19636%0.357CS..Hα-helixtrans-85.6-40.1170.3-59.10000111.9D139 F140 P145 E146 E174D139-T142 VanDerWaalsContact CG-OG1 3.25Å; D139-T142 PolarHBondContact O-N 2.86Å; D139-T142 PolarHBondContact OD1-N 3.38Å; D139-T142 VanDerWaalsContact OD1-N 3.12Å; D139-T142 VanDerWaalsContact OD2-CB 3.31Å; D139-T142 WeakPolarHBondContact OD2-CB 3.3Å; D139-T142 PolarHBondContact OD2-OG1 3.12Å; F140-T142 VanDerWaalsContact C-N 3.34Å; T142-P145 WeakPolarHBondContact O-CD 3.45Å; T142-E146 WeakPolarHBondContact O-CG 3.16Å; T142-E146 PolarHBondContact O-N 3.09Å; T142-E174 HydrophobicContact CG2-CG 4.12Å
143A86.6Confident81.3Confident33 Ų3369.7 Ų69.727%0.27336%0.357SS..Hα-helixtrans-73.6-30.4-175.100000114.2D139 Q147D139-A143 WeakPolarHBondContact O-CB 3.14Å; D139-A143 PolarHBondContact O-N 2.91Å; A143-Q147 WeakPolarHBondContact O-CG 3.2Å; A143-Q147 PolarHBondContact O-N 3.41Å
144L87.9Confident82.5Confident20 Ų2066.4 Ų66.411%0.10534%0.343CS..Hα-helixtrans-70.4-47.2179.9-72.9166.8000112.3F140 E146 Q147 G148 L149 I152 A153 I156F140-L144 HydrophobicContact CB-CD1 4.28Å; F140-L144 WeakPolarHBondContact O-CB 3.31Å; F140-L144 VanDerWaalsContact O-CD1 3.29Å; F140-L144 WeakPolarHBondContact O-CD1 3.48Å; F140-L144 WeakPolarHBondContact O-CG 3.49Å; F140-L144 PolarHBondContact O-N 3.36Å; L144-E146 VanDerWaalsContact C-N 3.31Å; L144-E146 PolarHBondContact O-N 3.06Å; L144-Q147 PolarHBondContact O-N 3.43Å; L144-G148 PolarHBondContact O-N 2.92Å; L144-L149 HydrophobicContact CB-CB 4.35Å; L144-L149 HydrophobicContact CD2-CB 4.1Å; L144-L149 HydrophobicContact CD2-CD1 4.15Å; L144-L149 WeakPolarHBondContact O-CA 3.1Å; L144-L149 WeakPolarHBondContact O-CB 3.43Å; L144-L149 PolarHBondContact O-N 3.16Å; L144-I152 HydrophobicContact CD1-CB 4.14Å; L144-I152 HydrophobicContact CD1-CG2 3.84Å; L144-I152 HydrophobicContact CD2-CB 4.36Å; L144-I152 HydrophobicContact CD2-CG2 4.29Å; L144-A153 HydrophobicContact CB-CB 4.13Å; L144-A153 HydrophobicContact CD1-CB 4.18Å; L144-I156 HydrophobicContact CD1-CD1 3.8Å
145P86.5Confident84Confident15 Ų1566.3 Ų66.310%0.09734%0.338CS..Hα-helixtrans-57.8-37.8171.2-28.937.1000114.1I141 T142 Q147 G148 D150 A153 V178I141-P145 WeakPolarHBondContact O-CD 2.96Å; I141-P145 WeakPolarHBondContact O-CG 3.29Å; T142-P145 WeakPolarHBondContact O-CD 3.45Å; P145-Q147 PolarHBondContact O-N 2.98Å; P145-Q147 VanDerWaalsContact O-N 3.16Å; P145-G148 PolarHBondContact O-N 3.47Å; P145-D150 WeakPolarHBondContact CB-OD1 3.37Å; P145-A153 HydrophobicContact CG-CB 4.43Å; P145-V178 HydrophobicContact CG-CG2 3.73Å
146E85.9Confident85.5Confident157 Ų15768.6 Ų68.673%0.73435%0.35SS*.Hα-helixtrans-59.5-26.8175-74.8178.8176.700112.8T142 L144T142-E146 WeakPolarHBondContact O-CG 3.16Å; T142-E146 PolarHBondContact O-N 3.09Å; L144-E146 VanDerWaalsContact C-N 3.31Å; L144-E146 PolarHBondContact O-N 3.06Å
147Q86.9Confident87Confident139 Ų13965.7 Ų65.765%0.6534%0.335SS*.THydrogen-bonded Turntrans-92.83.5176.4-65.4179.72.800113.4A143 L144 P145 L149A143-Q147 WeakPolarHBondContact O-CG 3.2Å; A143-Q147 PolarHBondContact O-N 3.41Å; L144-Q147 PolarHBondContact O-N 3.43Å; P145-Q147 PolarHBondContact O-N 2.98Å; P145-Q147 VanDerWaalsContact O-N 3.16Å; Q147-L149 VanDerWaalsContact C-N 3.28Å; Q147-L149 HydrophobicContact CB-CD1 4.27Å; Q147-L149 HydrophobicContact CB-CG 4.28Å
148G86.3Confident88.3Confident52 Ų5261 Ų6154%0.53632%0.317SS..THydrogen-bonded Turntrans71.720.2-17400000113.8L144 P145L144-G148 PolarHBondContact O-N 2.92Å; P145-G148 PolarHBondContact O-N 3.47Å
149L90.6Very high89.3Confident56 Ų5663.9 Ų63.929%0.29333%0.329SS..  trans-103.139.8-179.9-61.7175.7000111.8L144 Q147 H151 I152L144-L149 HydrophobicContact CB-CB 4.35Å; L144-L149 HydrophobicContact CD2-CB 4.1Å; L144-L149 HydrophobicContact CD2-CD1 4.15Å; L144-L149 WeakPolarHBondContact O-CA 3.1Å; L144-L149 WeakPolarHBondContact O-CB 3.43Å; L144-L149 PolarHBondContact O-N 3.16Å; Q147-L149 VanDerWaalsContact C-N 3.28Å; Q147-L149 HydrophobicContact CB-CD1 4.27Å; Q147-L149 HydrophobicContact CB-CG 4.28Å; L149-H151 VanDerWaalsContact C-N 3.25Å; L149-H151 PolarHBondContact O-N 3.16Å; L149-I152 HydrophobicContact CB-CD1 4.06Å; L149-I152 HydrophobicContact CB-CG1 4.24Å; L149-I152 HydrophobicContact CD1-CD1 4.11Å; L149-I152 HydrophobicContact CD2-CD1 4.21Å; L149-I152 HydrophobicContact CG-CD1 4.36Å; L149-I152 WeakPolarHBondContact O-CB 3.46Å; L149-I152 PolarHBondContact O-N 3.46Å
150D89.4Confident89.8Confident50 Ų5063.5 Ų63.527%0.26733%0.327SS..Hα-helixtrans-53.3-41.4-177.9-59.5-104.3000112.5P145 I152 A153 E154 R177P145-D150 WeakPolarHBondContact CB-OD1 3.37Å; D150-I152 PolarHBondContact O-N 3.39Å; D150-I152 VanDerWaalsContact O-N 3.14Å; D150-A153 WeakPolarHBondContact O-CB 3.35Å; D150-A153 PolarHBondContact O-N 3.49Å; D150-E154 WeakPolarHBondContact O-CG 3.43Å; D150-E154 PolarHBondContact O-N 3.34Å; D150-R177 IonicContact OD1-NH2 2.76Å
151H89.9Confident90.2Very high101 Ų10161.2 Ų61.247%0.46832%0.32SS..Hα-helixtrans-57.7-29.5178.266.4-78.8000113.7L149 N155L149-H151 VanDerWaalsContact C-N 3.25Å; L149-H151 PolarHBondContact O-N 3.16Å; H151-N155 WeakPolarHBondContact O-CB 3.47Å; H151-N155 PolarHBondContact O-N 3.27Å; H151-N155 PolarHBondContact O-ND2 3.14Å; H151-N155 PolarHBondContact O-OD1 3.24Å
152I92.3Very high90.5Very high64 Ų6461.7 Ų61.733%0.32833%0.325SS..Hα-helixtrans-74.9-43.2176.9-55.1-173.7000110L144 L149 D150 E154 N155 I156L144-I152 HydrophobicContact CD1-CB 4.14Å; L144-I152 HydrophobicContact CD1-CG2 3.84Å; L144-I152 HydrophobicContact CD2-CB 4.36Å; L144-I152 HydrophobicContact CD2-CG2 4.29Å; L149-I152 HydrophobicContact CB-CD1 4.06Å; L149-I152 HydrophobicContact CB-CG1 4.24Å; L149-I152 HydrophobicContact CD1-CD1 4.11Å; L149-I152 HydrophobicContact CD2-CD1 4.21Å; L149-I152 HydrophobicContact CG-CD1 4.36Å; L149-I152 WeakPolarHBondContact O-CB 3.46Å; L149-I152 PolarHBondContact O-N 3.46Å; D150-I152 PolarHBondContact O-N 3.39Å; D150-I152 VanDerWaalsContact O-N 3.14Å; I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 2.55Å; I152-N155 PolarHBondContact O-N 3.26Å; I152-I156 HydrophobicContact CG2-CD1 4.32Å; I152-I156 WeakPolarHBondContact O-CG1 3.28Å; I152-I156 PolarHBondContact O-N 2.99Å
153A90.8Very high90.9Very high0 Ų070 Ų700%035%0.353CS..Hα-helixtrans-60.8-42.5175.300000111I141 L144 P145 D150 N155 I156 L157 V178I141-A153 HydrophobicContact CD1-CB 4.16Å; L144-A153 HydrophobicContact CB-CB 4.13Å; L144-A153 HydrophobicContact CD1-CB 4.18Å; P145-A153 HydrophobicContact CG-CB 4.43Å; D150-A153 WeakPolarHBondContact O-CB 3.35Å; D150-A153 PolarHBondContact O-N 3.49Å; A153-N155 PolarHBondContact O-N 3.43Å; A153-I156 PolarHBondContact O-N 3.5Å; A153-L157 WeakPolarHBondContact O-CG 3.48Å; A153-L157 PolarHBondContact O-N 3.1Å; A153-L157 VanDerWaalsContact O-N 3.09Å; A153-V178 HydrophobicContact CB-CG1 4.05Å
154E92.5Very high91.3Very high42 Ų4270.9 Ų70.920%0.19636%0.357CS..Hα-helixtrans-59.8-43.7173.7-70.2178.6-152.800112.6D150 I152 L157 S158 V178 L184 K187D150-E154 WeakPolarHBondContact O-CG 3.43Å; D150-E154 PolarHBondContact O-N 3.34Å; I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 2.55Å; E154-L157 PolarHBondContact O-N 3.22Å; E154-S158 WeakPolarHBondContact O-CB 3Å; E154-S158 PolarHBondContact O-N 2.82Å; E154-V178 HydrophobicContact CG-CG1 4.48Å; E154-L184 HydrophobicContact CB-CD2 4.32Å; E154-K187 IonicContact OE2-NZ 3.24Å; E154-K187 PolarHBondContact OE2-NZ 2.9Å
155N93Very high91.6Very high86 Ų8670.1 Ų70.146%0.4635%0.353SS..Hα-helixtrans-63.1-43178.8-74.9-17.7000111.5H151 I152 A153 L157 S158 Y159H151-N155 WeakPolarHBondContact O-CB 3.47Å; H151-N155 PolarHBondContact O-N 3.27Å; H151-N155 PolarHBondContact O-ND2 3.14Å; H151-N155 PolarHBondContact O-OD1 3.24Å; I152-N155 PolarHBondContact O-N 3.26Å; A153-N155 PolarHBondContact O-N 3.43Å; N155-L157 PolarHBondContact O-N 3.49Å; N155-S158 WeakPolarHBondContact O-CB 3.46Å; N155-S158 PolarHBondContact O-N 3.05Å; N155-S158 PolarHBondContact O-OG 3.27Å; N155-Y159 WeakPolarHBondContact O-CD2 3.3Å; N155-Y159 VanDerWaalsContact O-CE2 3.3Å; N155-Y159 WeakPolarHBondContact O-CE2 3.09Å
156I93.3Very high92Very high76 Ų7671.9 Ų71.939%0.3937%0.365SS..Hα-helixtrans-57.6-50.8175.9-67.3165.6000110.2I141 L144 I152 A153 S158 Y159I141-I156 HydrophobicContact CD1-CB 4.28Å; I141-I156 HydrophobicContact CD1-CD1 4.48Å; I141-I156 HydrophobicContact CD1-CG2 4.11Å; L144-I156 HydrophobicContact CD1-CD1 3.8Å; I152-I156 HydrophobicContact CG2-CD1 4.32Å; I152-I156 WeakPolarHBondContact O-CG1 3.28Å; I152-I156 PolarHBondContact O-N 2.99Å; A153-I156 PolarHBondContact O-N 3.5Å; I156-S158 VanDerWaalsContact C-N 3.27Å; I156-S158 PolarHBondContact O-N 3.06Å; I156-Y159 PolarHBondContact O-N 3.21Å
157L93.9Very high92.4Very high6 Ų667.1 Ų67.13%0.03135%0.352CS..Hα-helixtrans-70.4-23.6-177.9-65.8171.6000112.9I141 A153 E154 N155 Y159 L160 A168 W175 V178 I179 L184I141-L157 HydrophobicContact CD1-CD1 4.18Å; I141-L157 HydrophobicContact CD1-CD2 4.09Å; I141-L157 HydrophobicContact CD1-CG 3.85Å; I141-L157 HydrophobicContact CG1-CD2 4.29Å; I141-L157 HydrophobicContact CG1-CG 4.47Å; I141-L157 HydrophobicContact CG2-CD1 4Å; A153-L157 WeakPolarHBondContact O-CG 3.48Å; A153-L157 PolarHBondContact O-N 3.1Å; A153-L157 VanDerWaalsContact O-N 3.09Å; E154-L157 PolarHBondContact O-N 3.22Å; N155-L157 PolarHBondContact O-N 3.49Å; L157-Y159 PolarHBondContact O-N 3.35Å; L157-L160 HydrophobicContact CB-CD1 4.47Å; L157-L160 HydrophobicContact CD2-CD1 3.62Å; L157-L160 WeakPolarHBondContact O-CB 3.49Å; L157-L160 WeakPolarHBondContact O-CG 3.46Å; L157-L160 PolarHBondContact O-N 2.66Å; L157-L160 VanDerWaalsContact O-N 3.16Å; L157-A168 HydrophobicContact CD2-CB 4.34Å; L157-W175 HydrophobicContact CD2-CE3 4.31Å; L157-W175 HydrophobicContact CD2-CZ3 4.1Å; L157-V178 HydrophobicContact CD1-CB 4.5Å; L157-V178 HydrophobicContact CD1-CG1 3.82Å; L157-I179 HydrophobicContact CD1-CG1 3.9Å; L157-L184 HydrophobicContact CB-CD1 3.24Å; L157-L184 HydrophobicContact CD1-CD1 3.89Å; L157-L184 HydrophobicContact CG-CD1 4.21Å
158S93.3Very high92.7Very high38 Ų3860.8 Ų60.827%0.26632%0.324SS..Hα-helixtrans-64.2-20.6177.380.10000113.7E154 N155 I156 L160 R191E154-S158 WeakPolarHBondContact O-CB 3Å; E154-S158 PolarHBondContact O-N 2.82Å; N155-S158 WeakPolarHBondContact O-CB 3.46Å; N155-S158 PolarHBondContact O-N 3.05Å; N155-S158 PolarHBondContact O-OG 3.27Å; I156-S158 VanDerWaalsContact C-N 3.27Å; I156-S158 PolarHBondContact O-N 3.06Å; S158-L160 VanDerWaalsContact C-N 3.35Å; S158-R191 PolarHBondContact O-NH1 3.36Å
159Y94.1Very high93Very high181 Ų18159 Ų5971%0.7130%0.301SS*.THydrogen-bonded Turntrans-77-21.7176.9-68.7-70.5000113.2N155 I156 L157 R191N155-Y159 WeakPolarHBondContact O-CD2 3.3Å; N155-Y159 VanDerWaalsContact O-CE2 3.3Å; N155-Y159 WeakPolarHBondContact O-CE2 3.09Å; I156-Y159 PolarHBondContact O-N 3.21Å; L157-Y159 PolarHBondContact O-N 3.35Å; Y159-R191 PolarHBondContact O-NH1 3.02Å
160L94Very high93.2Very high52 Ų5263.4 Ų63.427%0.27233%0.325SS..  trans-62.6149-175.9-60.1179.6000112.3L157 S158 L165 A168 R191L157-L160 HydrophobicContact CB-CD1 4.47Å; L157-L160 HydrophobicContact CD2-CD1 3.62Å; L157-L160 WeakPolarHBondContact O-CB 3.49Å; L157-L160 WeakPolarHBondContact O-CG 3.46Å; L157-L160 PolarHBondContact O-N 2.66Å; L157-L160 VanDerWaalsContact O-N 3.16Å; S158-L160 VanDerWaalsContact C-N 3.35Å; L160-L165 HydrophobicContact CB-CB 4.4Å; L160-L165 HydrophobicContact CD1-CD1 4.39Å; L160-A168 HydrophobicContact CD1-CB 3.96Å; L160-R191 PolarHBondContact O-NH2 3.25Å
161D93.8Very high93.5Very high80 Ų8065 Ų6543%0.42834%0.336SS..  trans-79.9168166.376.1-45.1000110.3R163 S164 L165D161-R163 VanDerWaalsContact C-N 3.25Å; D161-R163 PolarHBondContact O-N 3.47Å; D161-R163 WeakPolarHBondContact OD2-CB 3.47Å; D161-R163 PolarHBondContact OD2-N 3.36Å; D161-S164 PolarHBondContact O-N 3.47Å; D161-S164 WeakPolarHBondContact OD1-CB 3.4Å; D161-S164 PolarHBondContact OD1-N 2.86Å; D161-S164 VanDerWaalsContact OD1-N 3.08Å; D161-S164 PolarHBondContact OD1-OG 2.92Å; D161-L165 WeakPolarHBondContact O-CB 3.43Å; D161-L165 PolarHBondContact O-N 3.19Å
162A93.3Very high93.6Very high15 Ų1562.5 Ų62.512%0.12433%0.329CS..Hα-helixtrans-58.9-35.8-176.200000113.5C166 W185 L188 Y230A162-C166 PolarHBondContact O-N 3.45Å; A162-C166 PolarHBondContact O-SG 2.92Å; A162-C166 VanDerWaalsContact O-SG 3.36Å; A162-W185 HydrophobicContact CB-CH2 4.44Å; A162-W185 HydrophobicContact CB-CZ3 4.21Å; A162-L188 HydrophobicContact CB-CD2 4.01Å; A162-Y230 HydrophobicContact CB-CD1 4.21Å; A162-Y230 HydrophobicContact CB-CE1 3.39Å; A162-Y230 HydrophobicContact CB-CE2 4.17Å; A162-Y230 WeakPolarHBondContact CB-OH 3.41Å
163R94.6Very high93.6Very high208 Ų20868.2 Ų68.279%0.78535%0.352SS*.Hα-helixtrans-69.2-46.1179.6-173-176.9-68.3179.1-0.4110.9D161 L165 C166 A167D161-R163 VanDerWaalsContact C-N 3.25Å; D161-R163 PolarHBondContact O-N 3.47Å; D161-R163 WeakPolarHBondContact OD2-CB 3.47Å; D161-R163 PolarHBondContact OD2-N 3.36Å; R163-L165 VanDerWaalsContact C-N 3.31Å; R163-C166 WeakPolarHBondContact O-CB 3.35Å; R163-C166 PolarHBondContact O-N 3.09Å; R163-A167 PolarHBondContact O-N 3.05Å; R163-A167 VanDerWaalsContact O-N 3.08Å
164S95.6Very high93.5Very high50 Ų5070.8 Ų70.835%0.3536%0.364SS..Hα-helixtrans-69-32177.1-53.50000111.9D161 A167 A168D161-S164 PolarHBondContact O-N 3.47Å; D161-S164 WeakPolarHBondContact OD1-CB 3.4Å; D161-S164 PolarHBondContact OD1-N 2.86Å; D161-S164 VanDerWaalsContact OD1-N 3.08Å; D161-S164 PolarHBondContact OD1-OG 2.92Å; S164-A167 WeakPolarHBondContact O-CB 3.46Å; S164-A167 PolarHBondContact O-N 2.7Å; S164-A168 WeakPolarHBondContact O-CB 3.43Å; S164-A168 PolarHBondContact O-N 2.76Å
165L94.5Very high93.6Very high4 Ų471.3 Ų71.32%0.02136%0.364CS..Hα-helixtrans-65.5-41.9174.3-170.963.9000111.5L160 D161 R163 A167 A168 E169 I179 L184 W185 L188L160-L165 HydrophobicContact CB-CB 4.4Å; L160-L165 HydrophobicContact CD1-CD1 4.39Å; D161-L165 WeakPolarHBondContact O-CB 3.43Å; D161-L165 PolarHBondContact O-N 3.19Å; R163-L165 VanDerWaalsContact C-N 3.31Å; L165-A167 VanDerWaalsContact C-N 3.31Å; L165-A167 PolarHBondContact O-N 3.16Å; L165-A168 WeakPolarHBondContact O-CB 3.38Å; L165-A168 PolarHBondContact O-N 3.37Å; L165-E169 PolarHBondContact O-N 2.97Å; L165-I179 HydrophobicContact CD1-CD1 4.17Å; L165-I179 HydrophobicContact CD1-CG1 4.19Å; L165-I179 HydrophobicContact CD1-CG2 4.22Å; L165-L184 HydrophobicContact CD1-CB 4.36Å; L165-L184 HydrophobicContact CD1-CD1 4.06Å; L165-L184 HydrophobicContact CD2-CB 4.38Å; L165-W185 HydrophobicContact CD2-CD2 3.91Å; L165-W185 HydrophobicContact CD2-CE3 4.14Å; L165-W185 HydrophobicContact CD2-CG 4.42Å; L165-W185 HydrophobicContact CD2-CH2 4.22Å; L165-W185 HydrophobicContact CD2-CZ2 4.01Å; L165-W185 HydrophobicContact CD2-CZ3 4.29Å; L165-W185 HydrophobicContact CG-CZ2 4.15Å; L165-L188 HydrophobicContact CD2-CD2 3.99Å
166C93.6Very high93.6Very high52 Ų5272.1 Ų72.135%0.35137%0.365SS..Hα-helixtrans-60.2-39.5170.5-750000112.4A162 R163 W185A162-C166 PolarHBondContact O-N 3.45Å; A162-C166 PolarHBondContact O-SG 2.92Å; A162-C166 VanDerWaalsContact O-SG 3.36Å; R163-C166 WeakPolarHBondContact O-CB 3.35Å; R163-C166 PolarHBondContact O-N 3.09Å; C166-W185 VanDerWaalsContact SG-CH2 3.52Å
167A94.8Very high93.6Very high57 Ų5771.8 Ų71.847%0.47136%0.359SS..Hα-helixtrans-66.8-40.7176.100000111.5R163 S164 L165 E169 L170 V171R163-A167 PolarHBondContact O-N 3.05Å; R163-A167 VanDerWaalsContact O-N 3.08Å; S164-A167 WeakPolarHBondContact O-CB 3.46Å; S164-A167 PolarHBondContact O-N 2.7Å; L165-A167 VanDerWaalsContact C-N 3.31Å; L165-A167 PolarHBondContact O-N 3.16Å; A167-E169 VanDerWaalsContact C-N 3.33Å; A167-E169 PolarHBondContact O-N 3.26Å; A167-L170 PolarHBondContact O-N 3.22Å; A167-V171 PolarHBondContact O-N 3.35Å
168A94.1Very high93.5Very high6 Ų671.7 Ų71.75%0.0536%0.359CS..Hα-helixtrans-61.2-38.1176.900000112.2L157 L160 S164 L165 L170 V171 W175 I179L157-A168 HydrophobicContact CD2-CB 4.34Å; L160-A168 HydrophobicContact CD1-CB 3.96Å; S164-A168 WeakPolarHBondContact O-CB 3.43Å; S164-A168 PolarHBondContact O-N 2.76Å; L165-A168 WeakPolarHBondContact O-CB 3.38Å; L165-A168 PolarHBondContact O-N 3.37Å; A168-L170 PolarHBondContact O-N 3.38Å; A168-V171 PolarHBondContact O-N 3.48Å; A168-W175 HydrophobicContact CB-CE3 3.83Å; A168-W175 HydrophobicContact CB-CZ3 3.98Å; A168-W175 WeakPolarHBondContact O-CB 3.39Å; A168-I179 HydrophobicContact CB-CD1 3.88Å
169E93Very high93.5Very high14 Ų1469.9 Ų69.97%0.06535%0.346CS..Hα-helixtrans-61-26.4173.5-72.7-173.6155.500113.5L165 A167 I179 W185 R227L165-E169 PolarHBondContact O-N 2.97Å; A167-E169 VanDerWaalsContact C-N 3.33Å; A167-E169 PolarHBondContact O-N 3.26Å; E169-I179 HydrophobicContact CB-CD1 4.26Å; E169-I179 HydrophobicContact CG-CB 4.46Å; E169-I179 HydrophobicContact CG-CD1 3.6Å; E169-I179 HydrophobicContact CG-CG2 3.95Å; E169-W185 PolarHBondContact OE1-NE1 2.64Å; E169-R227 IonicContact OE1-NE 2.74Å; E169-R227 PolarHBondContact OE1-NE 2.9Å; E169-R227 IonicContact OE2-CZ 3.16Å; E169-R227 VanDerWaalsContact OE2-CZ 3.24Å; E169-R227 IonicContact OE2-NE 3.79Å; E169-R227 PolarHBondContact OE2-NE 3.41Å; E169-R227 IonicContact OE2-NH2 3.92Å; E169-R227 PolarHBondContact OE2-NH2 3.38Å
170L94.1Very high93.4Very high150 Ų15063.6 Ų63.679%0.78533%0.328SS*.THydrogen-bonded Turntrans-92-3.5-176.8-65.7170.4000113.4A167 A168A167-L170 PolarHBondContact O-N 3.22Å; A168-L170 PolarHBondContact O-N 3.38Å
171V94.4Very high93.2Very high83 Ų8366.9 Ų66.950%0.50334%0.342SS..THydrogen-bonded Turntrans-68-57-177.7175.40000111.1A167 A168 W175A167-V171 PolarHBondContact O-N 3.35Å; A168-V171 PolarHBondContact O-N 3.48Å; V171-W175 HydrophobicContact CB-CB 4.39Å; V171-W175 HydrophobicContact CB-CD2 3.88Å; V171-W175 HydrophobicContact CB-CE3 4.05Å; V171-W175 HydrophobicContact CB-CG 4.06Å; V171-W175 HydrophobicContact CG1-CD2 3.9Å; V171-W175 HydrophobicContact CG1-CE3 4.39Å; V171-W175 HydrophobicContact CG1-CG 4.14Å; V171-W175 HydrophobicContact CG1-CZ2 4.4Å; V171-W175 HydrophobicContact CG2-CD2 4.26Å; V171-W175 HydrophobicContact CG2-CE3 3.93Å; V171-W175 HydrophobicContact CG2-CZ3 4.2Å
172C92.6Very high93Very high49 Ų4963.2 Ų63.233%0.33132%0.323SS..  trans-160.6172.6175.577.40000111.4E174 W175 Q176C172-E174 VanDerWaalsContact C-N 3.27Å; C172-E174 PolarHBondContact O-N 3.07Å; C172-E174 PolarHBondContact SG-N 3.49Å; C172-W175 PolarHBondContact O-N 2.83Å; C172-W175 PolarHBondContact SG-N 2.83Å; C172-Q176 PolarHBondContact O-N 2.83Å; C172-Q176 VanDerWaalsContact O-N 3.1Å
173K92.2Very high92.9Very high183 Ų18365 Ų6580%0.79633%0.33SS*.Hα-helixtrans-62-33.4179.5-70.6-173.6177.8-179.60113.1Q176 R177K173-Q176 PolarHBondContact O-N 3.22Å; K173-R177 WeakPolarHBondContact O-CB 3.17Å; K173-R177 PolarHBondContact O-N 3.44Å
174E89.6Confident92.8Very high55 Ų5555.3 Ų55.326%0.25729%0.294SS..Hα-helixtrans-71.3-43-179.6-171.758.4-157.600111.4T142 C172 Q176 R177 V178T142-E174 HydrophobicContact CG2-CG 4.12Å; C172-E174 VanDerWaalsContact C-N 3.27Å; C172-E174 PolarHBondContact O-N 3.07Å; C172-E174 PolarHBondContact SG-N 3.49Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.23Å; E174-R177 VanDerWaalsContact CD-NE 3.33Å; E174-R177 WeakPolarHBondContact O-CA 3.33Å; E174-R177 WeakPolarHBondContact O-CB 3.49Å; E174-R177 PolarHBondContact O-N 2.97Å; E174-R177 VanDerWaalsContact O-N 3.07Å; E174-R177 IonicContact OE1-CZ 4Å; E174-R177 IonicContact OE1-NE 2.76Å; E174-R177 PolarHBondContact OE1-NE 3.5Å; E174-R177 IonicContact OE1-NH2 3.89Å; E174-R177 PolarHBondContact OE1-NH2 3.38Å; E174-R177 IonicContact OE2-NE 3.39Å; E174-R177 PolarHBondContact OE2-NE 2.87Å; E174-R177 VanDerWaalsContact OE2-NE 3.16Å; E174-V178 WeakPolarHBondContact O-CG2 3.32Å; E174-V178 PolarHBondContact O-N 3.36Å
175W93.6Very high92.8Very high52 Ų5253.3 Ų53.320%0.19728%0.278CS..Hα-helixtrans-59.1-43.7172.5-75.948000111.4D139 I141 L157 A168 V171 C172 R177 V178 I179D139-W175 PolarHBondContact OD1-NE1 3.35Å; D139-W175 PolarHBondContact OD2-NE1 2.62Å; D139-W175 VanDerWaalsContact OD2-NE1 3.08Å; I141-W175 HydrophobicContact CB-CD2 3.92Å; I141-W175 VanDerWaalsContact CB-CE2 3.48Å; I141-W175 HydrophobicContact CB-CG 4.22Å; I141-W175 HydrophobicContact CB-CH2 4.4Å; I141-W175 HydrophobicContact CB-CZ2 3.76Å; I141-W175 HydrophobicContact CG1-CD2 4.13Å; I141-W175 HydrophobicContact CG1-CE3 4.29Å; I141-W175 HydrophobicContact CG1-CH2 3.69Å; I141-W175 HydrophobicContact CG1-CZ2 3.5Å; I141-W175 VanDerWaalsContact CG1-CZ2 3.5Å; I141-W175 HydrophobicContact CG1-CZ3 4.09Å; I141-W175 HydrophobicContact CG2-CB 4.38Å; I141-W175 HydrophobicContact CG2-CD2 3.81Å; I141-W175 HydrophobicContact CG2-CE3 4.39Å; I141-W175 HydrophobicContact CG2-CG 3.76Å; L157-W175 HydrophobicContact CD2-CE3 4.31Å; L157-W175 HydrophobicContact CD2-CZ3 4.1Å; A168-W175 HydrophobicContact CB-CE3 3.83Å; A168-W175 HydrophobicContact CB-CZ3 3.98Å; A168-W175 WeakPolarHBondContact O-CB 3.39Å; V171-W175 HydrophobicContact CB-CB 4.39Å; V171-W175 HydrophobicContact CB-CD2 3.88Å; V171-W175 HydrophobicContact CB-CE3 4.05Å; V171-W175 HydrophobicContact CB-CG 4.06Å; V171-W175 HydrophobicContact CG1-CD2 3.9Å; V171-W175 HydrophobicContact CG1-CE3 4.39Å; V171-W175 HydrophobicContact CG1-CG 4.14Å; V171-W175 HydrophobicContact CG1-CZ2 4.4Å; V171-W175 HydrophobicContact CG2-CD2 4.26Å; V171-W175 HydrophobicContact CG2-CE3 3.93Å; V171-W175 HydrophobicContact CG2-CZ3 4.2Å; C172-W175 PolarHBondContact O-N 2.83Å; C172-W175 PolarHBondContact SG-N 2.83Å; W175-R177 VanDerWaalsContact C-N 3.32Å; W175-R177 PolarHBondContact O-N 3.24Å; W175-V178 PolarHBondContact O-N 3.02Å; W175-I179 WeakPolarHBondContact O-CB 3.39Å; W175-I179 WeakPolarHBondContact O-CD1 3.46Å; W175-I179 WeakPolarHBondContact O-CG1 3.17Å; W175-I179 PolarHBondContact O-N 2.83Å
176Q93Very high92.7Very high103 Ų10354.7 Ų54.748%0.48128%0.284SS..Hα-helixtrans-60.5-41.2174.3-171-177.624.100111.9C172 K173 E174 I179 S180C172-Q176 PolarHBondContact O-N 2.83Å; C172-Q176 VanDerWaalsContact O-N 3.1Å; K173-Q176 PolarHBondContact O-N 3.22Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.23Å; Q176-I179 PolarHBondContact O-N 3.04Å; Q176-S180 VanDerWaalsContact O-CB 3.3Å; Q176-S180 WeakPolarHBondContact O-CB 3.46Å; Q176-S180 PolarHBondContact O-N 2.97Å; Q176-S180 PolarHBondContact O-OG 3.29Å
177R93.1Very high92.7Very high70 Ų7055.5 Ų55.526%0.26428%0.282SS..Hα-helixtrans-60.3-53.1176.6-169.7-168.672.678.22.5110.7D150 K173 E174 W175 I179 S180 E181D150-R177 IonicContact OD1-NH2 2.76Å; K173-R177 WeakPolarHBondContact O-CB 3.17Å; K173-R177 PolarHBondContact O-N 3.44Å; E174-R177 VanDerWaalsContact CD-NE 3.33Å; E174-R177 WeakPolarHBondContact O-CA 3.33Å; E174-R177 WeakPolarHBondContact O-CB 3.49Å; E174-R177 PolarHBondContact O-N 2.97Å; E174-R177 VanDerWaalsContact O-N 3.07Å; E174-R177 IonicContact OE1-CZ 4Å; E174-R177 IonicContact OE1-NE 2.76Å; E174-R177 PolarHBondContact OE1-NE 3.5Å; E174-R177 IonicContact OE1-NH2 3.89Å; E174-R177 PolarHBondContact OE1-NH2 3.38Å; E174-R177 IonicContact OE2-NE 3.39Å; E174-R177 PolarHBondContact OE2-NE 2.87Å; E174-R177 VanDerWaalsContact OE2-NE 3.16Å; W175-R177 VanDerWaalsContact C-N 3.32Å; W175-R177 PolarHBondContact O-N 3.24Å; R177-I179 VanDerWaalsContact C-N 3.34Å; R177-I179 PolarHBondContact O-N 3.44Å; R177-S180 PolarHBondContact O-N 3.44Å; R177-S180 PolarHBondContact O-OG 2.89Å; R177-E181 WeakPolarHBondContact CD-OE1 3.46Å; R177-E181 HydrophobicContact CG-CG 4.37Å; R177-E181 WeakPolarHBondContact CG-OE1 3.44Å; R177-E181 IonicContact CZ-OE1 3.56Å; R177-E181 IonicContact CZ-OE2 3.16Å; R177-E181 IonicContact NH1-OE1 2.7Å; R177-E181 PolarHBondContact NH1-OE1 3.08Å; R177-E181 IonicContact NH1-OE2 3.17Å; R177-E181 PolarHBondContact NH1-OE2 3.08Å; R177-E181 PolarHBondContact O-N 3.38Å
178V92.8Very high92.7Very high4 Ų453 Ų532%0.02426%0.261CS..Hα-helixtrans-57.8-44178.8176.10000111.4I141 P145 A153 E154 L157 E174 W175 S180 G182I141-V178 HydrophobicContact CG2-CB 4.3Å; I141-V178 HydrophobicContact CG2-CG1 4.36Å; I141-V178 HydrophobicContact CG2-CG2 4.24Å; P145-V178 HydrophobicContact CG-CG2 3.73Å; A153-V178 HydrophobicContact CB-CG1 4.05Å; E154-V178 HydrophobicContact CG-CG1 4.48Å; L157-V178 HydrophobicContact CD1-CB 4.5Å; L157-V178 HydrophobicContact CD1-CG1 3.82Å; E174-V178 WeakPolarHBondContact O-CG2 3.32Å; E174-V178 PolarHBondContact O-N 3.36Å; W175-V178 PolarHBondContact O-N 3.02Å; V178-S180 VanDerWaalsContact C-N 3.3Å; V178-S180 PolarHBondContact O-N 2.77Å; V178-G182 WeakPolarHBondContact O-CA 3.48Å; V178-G182 PolarHBondContact O-N 3.1Å
179I93.6Very high92.8Very high0 Ų052.8 Ų52.80%026%0.258CS..Hα-helixtrans-62.8-39.4177-67.5165.6000111.2L157 L165 A168 E169 W175 Q176 R177 L184L157-I179 HydrophobicContact CD1-CG1 3.9Å; L165-I179 HydrophobicContact CD1-CD1 4.17Å; L165-I179 HydrophobicContact CD1-CG1 4.19Å; L165-I179 HydrophobicContact CD1-CG2 4.22Å; A168-I179 HydrophobicContact CB-CD1 3.88Å; E169-I179 HydrophobicContact CB-CD1 4.26Å; E169-I179 HydrophobicContact CG-CB 4.46Å; E169-I179 HydrophobicContact CG-CD1 3.6Å; E169-I179 HydrophobicContact CG-CG2 3.95Å; W175-I179 WeakPolarHBondContact O-CB 3.39Å; W175-I179 WeakPolarHBondContact O-CD1 3.46Å; W175-I179 WeakPolarHBondContact O-CG1 3.17Å; W175-I179 PolarHBondContact O-N 2.83Å; Q176-I179 PolarHBondContact O-N 3.04Å; R177-I179 VanDerWaalsContact C-N 3.34Å; R177-I179 PolarHBondContact O-N 3.44Å; I179-L184 HydrophobicContact CB-CD1 4.36Å; I179-L184 HydrophobicContact CG1-CD1 3.99Å; I179-L184 HydrophobicContact CG2-CB 4.23Å; I179-L184 HydrophobicContact CG2-CD1 4.48Å; I179-L184 PolarHBondContact O-N 2.72Å
180S91.4Very high92.8Very high48 Ų4852.8 Ų52.834%0.33626%0.259SS..Hα-helixtrans-74.7-45-17775.60000113.9Q176 R177 V178 M183 N223Q176-S180 VanDerWaalsContact O-CB 3.3Å; Q176-S180 WeakPolarHBondContact O-CB 3.46Å; Q176-S180 PolarHBondContact O-N 2.97Å; Q176-S180 PolarHBondContact O-OG 3.29Å; R177-S180 PolarHBondContact O-N 3.44Å; R177-S180 PolarHBondContact O-OG 2.89Å; V178-S180 VanDerWaalsContact C-N 3.3Å; V178-S180 PolarHBondContact O-N 2.77Å; S180-M183 PolarHBondContact O-N 3Å; S180-N223 WeakPolarHBondContact CA-ND2 3.33Å; S180-N223 WeakPolarHBondContact O-CB 3.3Å
181E89.5Confident92.8Very high121 Ų12149.4 Ų49.457%0.56524%0.235SC*.Hα-helixtrans-74.9-37.6179.7-69.6-176.1-154.700111.3R177 M183R177-E181 WeakPolarHBondContact CD-OE1 3.46Å; R177-E181 HydrophobicContact CG-CG 4.37Å; R177-E181 WeakPolarHBondContact CG-OE1 3.44Å; R177-E181 IonicContact CZ-OE1 3.56Å; R177-E181 IonicContact CZ-OE2 3.16Å; R177-E181 IonicContact NH1-OE1 2.7Å; R177-E181 PolarHBondContact NH1-OE1 3.08Å; R177-E181 IonicContact NH1-OE2 3.17Å; R177-E181 PolarHBondContact NH1-OE2 3.08Å; R177-E181 PolarHBondContact O-N 3.38Å; E181-M183 PolarHBondContact O-N 3.25Å; E181-M183 VanDerWaalsContact O-N 3.13Å
182G89.3Confident92.8Very high3 Ų347.7 Ų47.73%0.03122%0.222CC..THydrogen-bonded Turntrans-71.80.2175.800000114.9V178 L184 K187V178-G182 WeakPolarHBondContact O-CA 3.48Å; V178-G182 PolarHBondContact O-N 3.1Å; G182-L184 VanDerWaalsContact C-N 3.26Å; G182-L184 PolarHBondContact O-N 3.25Å; G182-K187 WeakPolarHBondContact O-CE 3.47Å; G182-K187 PolarHBondContact O-NZ 3.23Å
183M91.4Very high93Very high54 Ų5445.9 Ų45.927%0.26621%0.21SC..THydrogen-bonded Turntrans50.542-179.7-65.1-65.2-6200112.9S180 E181 W185 K186 K187 N223 Y226S180-M183 PolarHBondContact O-N 3Å; E181-M183 PolarHBondContact O-N 3.25Å; E181-M183 VanDerWaalsContact O-N 3.13Å; M183-W185 VanDerWaalsContact C-N 3.33Å; M183-W185 PolarHBondContact O-N 2.86Å; M183-K186 HydrophobicContact CB-CB 4.27Å; M183-K186 HydrophobicContact CE-CB 4.15Å; M183-K186 HydrophobicContact CE-CD 4.02Å; M183-K186 WeakPolarHBondContact O-CB 3.5Å; M183-K186 PolarHBondContact O-N 3.16Å; M183-K186 VanDerWaalsContact O-N 3.1Å; M183-K187 PolarHBondContact O-N 2.74Å; M183-N223 HydrophobicContact CE-CB 4.19Å; M183-N223 HydrophobicContact SD-CB 3.65Å; M183-Y226 HydrophobicContact CE-CD2 3.65Å; M183-Y226 HydrophobicContact CE-CE2 3.46Å; M183-Y226 VanDerWaalsContact CE-CE2 3.46Å
184L93.4Very high93Very high4 Ų445.7 Ų45.72%0.02120%0.204CC..Hα-helixtrans-67.5-30.2-169.1-63-166.2000113.7E154 L157 L165 I179 G182 K186 K187 L188E154-L184 HydrophobicContact CB-CD2 4.32Å; L157-L184 HydrophobicContact CB-CD1 3.24Å; L157-L184 HydrophobicContact CD1-CD1 3.89Å; L157-L184 HydrophobicContact CG-CD1 4.21Å; L165-L184 HydrophobicContact CD1-CB 4.36Å; L165-L184 HydrophobicContact CD1-CD1 4.06Å; L165-L184 HydrophobicContact CD2-CB 4.38Å; I179-L184 HydrophobicContact CB-CD1 4.36Å; I179-L184 HydrophobicContact CG1-CD1 3.99Å; I179-L184 HydrophobicContact CG2-CB 4.23Å; I179-L184 HydrophobicContact CG2-CD1 4.48Å; I179-L184 PolarHBondContact O-N 2.72Å; G182-L184 VanDerWaalsContact C-N 3.26Å; G182-L184 PolarHBondContact O-N 3.25Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 2.64Å; L184-K187 HydrophobicContact CD2-CD 4.01Å; L184-K187 PolarHBondContact O-N 3.15Å; L184-L188 VanDerWaalsContact O-CB 3.28Å; L184-L188 WeakPolarHBondContact O-CB 3.12Å; L184-L188 PolarHBondContact O-N 3.22Å
185W94.6Very high93.2Very high7 Ų748 Ų483%0.02722%0.222CC..Hα-helixtrans-65.6-37.4173.7-74.3103.8000112.1A162 L165 C166 E169 M183 L188 I189 R227 Y230A162-W185 HydrophobicContact CB-CH2 4.44Å; A162-W185 HydrophobicContact CB-CZ3 4.21Å; L165-W185 HydrophobicContact CD2-CD2 3.91Å; L165-W185 HydrophobicContact CD2-CE3 4.14Å; L165-W185 HydrophobicContact CD2-CG 4.42Å; L165-W185 HydrophobicContact CD2-CH2 4.22Å; L165-W185 HydrophobicContact CD2-CZ2 4.01Å; L165-W185 HydrophobicContact CD2-CZ3 4.29Å; L165-W185 HydrophobicContact CG-CZ2 4.15Å; C166-W185 VanDerWaalsContact SG-CH2 3.52Å; E169-W185 PolarHBondContact OE1-NE1 2.64Å; M183-W185 VanDerWaalsContact C-N 3.33Å; M183-W185 PolarHBondContact O-N 2.86Å; W185-L188 HydrophobicContact CE3-CD2 3.94Å; W185-L188 HydrophobicContact CZ3-CD2 3.85Å; W185-L188 PolarHBondContact O-N 2.93Å; W185-I189 WeakPolarHBondContact O-CG1 3.48Å; W185-I189 PolarHBondContact O-N 3.42Å; W185-R227 HydrophobicContact CD2-CB 4.23Å; W185-R227 HydrophobicContact CD2-CG 4.29Å; W185-R227 HydrophobicContact CG-CB 3.9Å; W185-R227 HydrophobicContact CG-CG 4.37Å; W185-R227 HydrophobicContact CZ2-CG 4.35Å; W185-Y230 HydrophobicContact CE3-CD2 4.03Å; W185-Y230 HydrophobicContact CE3-CG 4.01Å; W185-Y230 HydrophobicContact CZ3-CD1 4.04Å; W185-Y230 AromaticContact CZ3-CD2 3.95Å; W185-Y230 HydrophobicContact CZ3-CD2 3.95Å; W185-Y230 AromaticContact CZ3-CG 3.7Å; W185-Y230 HydrophobicContact CZ3-CG 3.7Å
186K93.4Very high93.2Very high33 Ų3348.1 Ų48.114%0.14323%0.227CC..Hα-helixtrans-64-49.6172.5179.1179-179.1-810110.5M183 L184 L188 I189 E190 L212 Y226M183-K186 HydrophobicContact CB-CB 4.27Å; M183-K186 HydrophobicContact CE-CB 4.15Å; M183-K186 HydrophobicContact CE-CD 4.02Å; M183-K186 WeakPolarHBondContact O-CB 3.5Å; M183-K186 PolarHBondContact O-N 3.16Å; M183-K186 VanDerWaalsContact O-N 3.1Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 2.64Å; K186-L188 VanDerWaalsContact C-N 3.28Å; K186-L188 PolarHBondContact O-N 2.87Å; K186-I189 PolarHBondContact O-N 3.24Å; K186-E190 WeakPolarHBondContact CE-OE1 3.35Å; K186-E190 HydrophobicContact CG-CG 4.42Å; K186-E190 IonicContact NZ-OE1 3.87Å; K186-E190 PolarHBondContact NZ-OE1 2.9Å; K186-E190 WeakPolarHBondContact O-CB 3.29Å; K186-E190 WeakPolarHBondContact O-CG 3.15Å; K186-E190 PolarHBondContact O-N 3.25Å; K186-L212 HydrophobicContact CG-CD2 4.44Å; K186-Y226 HydrophobicContact CB-CD1 4.13Å; K186-Y226 HydrophobicContact CB-CD2 3.86Å; K186-Y226 HydrophobicContact CB-CE1 4.27Å; K186-Y226 HydrophobicContact CB-CE2 4Å; K186-Y226 HydrophobicContact CB-CG 3.92Å; K186-Y226 HydrophobicContact CD-CE1 4.42Å; K186-Y226 HydrophobicContact CD-CE2 3.94Å; K186-Y226 HydrophobicContact CG-CD1 4.39Å; K186-Y226 HydrophobicContact CG-CE1 4.06Å; K186-Y226 HydrophobicContact CG-CE2 4.19Å
187K92.9Very high93.1Very high69 Ų6947.6 Ų47.630%0.323%0.232SC..Hα-helixtrans-59.8-38.1178.1-68.5-178.9-174.5168.40112.1E154 G182 M183 L184 E190 R191E154-K187 IonicContact OE2-NZ 3.24Å; E154-K187 PolarHBondContact OE2-NZ 2.9Å; G182-K187 WeakPolarHBondContact O-CE 3.47Å; G182-K187 PolarHBondContact O-NZ 3.23Å; M183-K187 PolarHBondContact O-N 2.74Å; L184-K187 HydrophobicContact CD2-CD 4.01Å; L184-K187 PolarHBondContact O-N 3.15Å; K187-E190 PolarHBondContact O-N 2.69Å; K187-R191 VanDerWaalsContact O-CB 3.31Å; K187-R191 WeakPolarHBondContact O-CB 3.49Å; K187-R191 PolarHBondContact O-N 3.32Å
188L95.1Very high93.1Very high6 Ų644.5 Ų44.53%0.03122%0.22CC..Hα-helixtrans-63-49.2175.8177.961.6000111.3A162 L165 L184 W185 K186 R191 M192 Y230A162-L188 HydrophobicContact CB-CD2 4.01Å; L165-L188 HydrophobicContact CD2-CD2 3.99Å; L184-L188 VanDerWaalsContact O-CB 3.28Å; L184-L188 WeakPolarHBondContact O-CB 3.12Å; L184-L188 PolarHBondContact O-N 3.22Å; W185-L188 HydrophobicContact CE3-CD2 3.94Å; W185-L188 HydrophobicContact CZ3-CD2 3.85Å; W185-L188 PolarHBondContact O-N 2.93Å; K186-L188 VanDerWaalsContact C-N 3.28Å; K186-L188 PolarHBondContact O-N 2.87Å; L188-R191 WeakPolarHBondContact O-CB 3.41Å; L188-R191 PolarHBondContact O-N 3.21Å; L188-M192 WeakPolarHBondContact O-CG 3.34Å; L188-M192 PolarHBondContact O-N 3Å; L188-Y230 HydrophobicContact CD2-CD2 4.07Å; L188-Y230 HydrophobicContact CD2-CE2 3.63Å; L188-Y230 HydrophobicContact CG-CD2 4.49Å; L188-Y230 HydrophobicContact CG-CE2 3.93Å
189I95.3Very high93.2Very high0 Ų044.8 Ų44.80%022%0.221CC..Hα-helixtrans-62.9-44.5177.2-66170000110.6W185 K186 R191 M192 V193 W199 W208 L212 Y226 L229 Y230 I233W185-I189 WeakPolarHBondContact O-CG1 3.48Å; W185-I189 PolarHBondContact O-N 3.42Å; K186-I189 PolarHBondContact O-N 3.24Å; I189-R191 VanDerWaalsContact C-N 3.3Å; I189-R191 PolarHBondContact O-N 2.91Å; I189-M192 PolarHBondContact O-N 2.86Å; I189-M192 VanDerWaalsContact O-N 3.16Å; I189-V193 HydrophobicContact CG2-CG2 4.27Å; I189-V193 WeakPolarHBondContact O-CG2 3.28Å; I189-V193 PolarHBondContact O-N 3.05Å; I189-W199 HydrophobicContact CG1-CZ3 4.34Å; I189-W199 HydrophobicContact CG2-CZ3 4.41Å; I189-W208 HydrophobicContact CG2-CE3 4.39Å; I189-W208 HydrophobicContact CG2-CH2 4.42Å; I189-W208 HydrophobicContact CG2-CZ3 3.72Å; I189-L212 HydrophobicContact CG2-CD1 3.92Å; I189-L212 HydrophobicContact CG2-CD2 4.12Å; I189-Y226 HydrophobicContact CD1-CD1 4.23Å; I189-L229 HydrophobicContact CD1-CD2 4.27Å; I189-Y230 HydrophobicContact CD1-CD2 4.47Å; I189-Y230 HydrophobicContact CG1-CD2 3.89Å; I189-I233 HydrophobicContact CD1-CD1 4.35Å; I189-I233 HydrophobicContact CG2-CD1 4.44Å
190E93.8Very high93.2Very high15 Ų1549.9 Ų49.97%0.0724%0.244CC..Hα-helixtrans-60.3-39.2176.3-74.4179.1174.500112.4K186 K187 V193 R194 L212 F213K186-E190 WeakPolarHBondContact CE-OE1 3.35Å; K186-E190 HydrophobicContact CG-CG 4.42Å; K186-E190 IonicContact NZ-OE1 3.87Å; K186-E190 PolarHBondContact NZ-OE1 2.9Å; K186-E190 WeakPolarHBondContact O-CB 3.29Å; K186-E190 WeakPolarHBondContact O-CG 3.15Å; K186-E190 PolarHBondContact O-N 3.25Å; K187-E190 PolarHBondContact O-N 2.69Å; E190-V193 PolarHBondContact O-N 2.8Å; E190-R194 VanDerWaalsContact O-CG 3.3Å; E190-R194 WeakPolarHBondContact O-CG 3.3Å; E190-R194 PolarHBondContact O-N 3.44Å; E190-R194 IonicContact OE2-NH2 2.64Å; E190-L212 HydrophobicContact CG-CB 4.18Å; E190-L212 HydrophobicContact CG-CD2 4.04Å; E190-F213 HydrophobicContact CB-CE1 3.74Å; E190-F213 HydrophobicContact CB-CZ 4.1Å; E190-F213 HydrophobicContact CG-CD1 4.1Å; E190-F213 HydrophobicContact CG-CE1 3.68Å; E190-F213 HydrophobicContact CG-CZ 4.02Å; E190-F213 PolarHBondContact OE1-N 2.97Å
191R94.8Very high93.2Very high79 Ų7948 Ų4830%0.29823%0.232SC..Hα-helixtrans-61.7-48.7173.4-177.7177.567.6170.2-0.8110.4S158 Y159 L160 K187 L188 I189 V193 R194 T195S158-R191 PolarHBondContact O-NH1 3.36Å; Y159-R191 PolarHBondContact O-NH1 3.02Å; L160-R191 PolarHBondContact O-NH2 3.25Å; K187-R191 VanDerWaalsContact O-CB 3.31Å; K187-R191 WeakPolarHBondContact O-CB 3.49Å; K187-R191 PolarHBondContact O-N 3.32Å; L188-R191 WeakPolarHBondContact O-CB 3.41Å; L188-R191 PolarHBondContact O-N 3.21Å; I189-R191 VanDerWaalsContact C-N 3.3Å; I189-R191 PolarHBondContact O-N 2.91Å; R191-V193 PolarHBondContact O-N 2.62Å; R191-R194 PolarHBondContact O-N 3.28Å; R191-T195 WeakPolarHBondContact O-CG2 3.46Å; R191-T195 PolarHBondContact O-N 3.21Å; R191-T195 VanDerWaalsContact O-N 3.13Å; R191-T195 PolarHBondContact O-OG1 3.49Å; R191-T195 VanDerWaalsContact O-OG1 3.07Å
192M94Very high93.5Very high47 Ų4742.3 Ų42.323%0.23221%0.205CC..Hα-helixtrans-60.4-43.6178.1-65.1-56.3-147.400112.1L188 I189 R194 T195 D196 W199L188-M192 WeakPolarHBondContact O-CG 3.34Å; L188-M192 PolarHBondContact O-N 3Å; I189-M192 PolarHBondContact O-N 2.86Å; I189-M192 VanDerWaalsContact O-N 3.16Å; M192-R194 VanDerWaalsContact C-N 3.31Å; M192-R194 PolarHBondContact O-N 2.74Å; M192-T195 PolarHBondContact O-N 2.8Å; M192-T195 PolarHBondContact O-OG1 3.47Å; M192-D196 WeakPolarHBondContact O-CB 3.27Å; M192-D196 PolarHBondContact O-N 3.33Å; M192-W199 HydrophobicContact CB-CB 4.37Å; M192-W199 HydrophobicContact CB-CD2 3.51Å; M192-W199 HydrophobicContact CB-CE3 3.63Å; M192-W199 HydrophobicContact CB-CG 3.85Å; M192-W199 HydrophobicContact CB-CH2 4.49Å; M192-W199 HydrophobicContact CB-CZ2 4.38Å; M192-W199 HydrophobicContact CB-CZ3 4.14Å; M192-W199 HydrophobicContact CG-CD2 4.2Å; M192-W199 HydrophobicContact CG-CE3 4.28Å; M192-W199 HydrophobicContact CG-CH2 4.28Å; M192-W199 HydrophobicContact CG-CZ2 4.17Å; M192-W199 HydrophobicContact CG-CZ3 4.32Å
193V95.4Very high93.7Very high11 Ų1142.3 Ų42.37%0.06721%0.205CC..Hα-helixtrans-63.1-34.3177.5168.30000112.3I189 E190 R191 W199 K200 W208 L212 F213I189-V193 HydrophobicContact CG2-CG2 4.27Å; I189-V193 WeakPolarHBondContact O-CG2 3.28Å; I189-V193 PolarHBondContact O-N 3.05Å; E190-V193 PolarHBondContact O-N 2.8Å; R191-V193 PolarHBondContact O-N 2.62Å; V193-W199 HydrophobicContact CG2-CB 4.12Å; V193-K200 HydrophobicContact CG1-CB 4.29Å; V193-K200 HydrophobicContact CG1-CG 4.45Å; V193-W208 HydrophobicContact CG2-CH2 3.94Å; V193-W208 HydrophobicContact CG2-CZ3 3.74Å; V193-L212 HydrophobicContact CG2-CD1 3.98Å; V193-F213 HydrophobicContact CG1-CE2 4.15Å; V193-F213 HydrophobicContact CG1-CZ 4.15Å
194R93.7Very high93.7Very high179 Ų17943.9 Ų43.968%0.67521%0.211SC*.Hα-helixtrans-72.2-32.8175.8-72.4176.7-149172.69.1112.9E190 R191 M192 F213E190-R194 VanDerWaalsContact O-CG 3.3Å; E190-R194 WeakPolarHBondContact O-CG 3.3Å; E190-R194 PolarHBondContact O-N 3.44Å; E190-R194 IonicContact OE2-NH2 2.64Å; R191-R194 PolarHBondContact O-N 3.28Å; M192-R194 VanDerWaalsContact C-N 3.31Å; M192-R194 PolarHBondContact O-N 2.74Å; R194-F213 HydrophobicContact CG-CE1 4.42Å; R194-F213 HydrophobicContact CG-CZ 4.37Å
195T93Very high93.6Very high104 Ų10447.4 Ų47.464%0.63823%0.225SC*.Hα-helixtrans-96.2-35.4-172.555.10000113.7R191 M192R191-T195 WeakPolarHBondContact O-CG2 3.46Å; R191-T195 PolarHBondContact O-N 3.21Å; R191-T195 VanDerWaalsContact O-N 3.13Å; R191-T195 PolarHBondContact O-OG1 3.49Å; R191-T195 VanDerWaalsContact O-OG1 3.07Å; M192-T195 PolarHBondContact O-N 2.8Å; M192-T195 PolarHBondContact O-OG1 3.47Å
196D93.5Very high93.5Very high54 Ų5452 Ų5229%0.28924%0.242SC..  trans-112.3116.4-171.9-170-21.4000110.7M192 L198 W199 K200M192-D196 WeakPolarHBondContact O-CB 3.27Å; M192-D196 PolarHBondContact O-N 3.33Å; D196-L198 PolarHBondContact O-N 2.99Å; D196-L198 VanDerWaalsContact OD1-CB 3.26Å; D196-L198 WeakPolarHBondContact OD1-CB 3.48Å; D196-L198 PolarHBondContact OD1-N 3.45Å; D196-W199 HydrophobicContact CB-CB 4.28Å; D196-W199 HydrophobicContact CB-CG 4.25Å; D196-W199 PolarHBondContact O-N 3.25Å; D196-W199 VanDerWaalsContact O-N 3.11Å; D196-K200 PolarHBondContact O-N 3.33Å; D196-K200 VanDerWaalsContact O-N 3.11Å
197P90.8Very high93.4Very high91 Ų9151.7 Ų51.759%0.59125%0.247SC*.Hα-helixtrans-63.5-25.7179.527.6-35.5000113K200 G201P197-K200 PolarHBondContact O-N 2.95Å; P197-G201 PolarHBondContact O-N 3.18Å
198L93.3Very high93.3Very high5 Ų549.2 Ų49.23%0.02624%0.236CC..Hα-helixtrans-64-44.1173.817567.6000110.7D196 L202 I237 E523 F524D196-L198 PolarHBondContact O-N 2.99Å; D196-L198 VanDerWaalsContact OD1-CB 3.26Å; D196-L198 WeakPolarHBondContact OD1-CB 3.48Å; D196-L198 PolarHBondContact OD1-N 3.45Å; L198-L202 HydrophobicContact CD1-CD1 4.34Å; L198-L202 HydrophobicContact CD1-CG 4.47Å; L198-L202 HydrophobicContact CG-CD1 4.31Å; L198-L202 WeakPolarHBondContact O-CB 3.4Å; L198-L202 WeakPolarHBondContact O-CG 3.2Å; L198-L202 PolarHBondContact O-N 3.07Å; L198-I237 HydrophobicContact CD2-CB 4.45Å; L198-I237 HydrophobicContact CD2-CD1 4.14Å; L198-I237 HydrophobicContact CD2-CG1 3.92Å; L198-I237 HydrophobicContact CD2-CG2 3.81Å; L198-I237 HydrophobicContact CG-CG1 4.37Å; L198-E523 HydrophobicContact CB-CG 4.13Å; L198-E523 HydrophobicContact CD1-CB 3.69Å; L198-E523 HydrophobicContact CD1-CG 4.09Å; L198-F524 HydrophobicContact CD1-CD1 4.48Å; L198-F524 HydrophobicContact CD1-CE1 3.59Å; L198-F524 HydrophobicContact CD1-CZ 3.79Å
199W95Very high93.1Very high10 Ų1052 Ų524%0.03825%0.251CS..Hα-helixtrans-66.3-41.4177.5-77.471.8000111.3I189 M192 V193 D196 L202 S203 W208 Y230 I233 I234 I237I189-W199 HydrophobicContact CG1-CZ3 4.34Å; I189-W199 HydrophobicContact CG2-CZ3 4.41Å; M192-W199 HydrophobicContact CB-CB 4.37Å; M192-W199 HydrophobicContact CB-CD2 3.51Å; M192-W199 HydrophobicContact CB-CE3 3.63Å; M192-W199 HydrophobicContact CB-CG 3.85Å; M192-W199 HydrophobicContact CB-CH2 4.49Å; M192-W199 HydrophobicContact CB-CZ2 4.38Å; M192-W199 HydrophobicContact CB-CZ3 4.14Å; M192-W199 HydrophobicContact CG-CD2 4.2Å; M192-W199 HydrophobicContact CG-CE3 4.28Å; M192-W199 HydrophobicContact CG-CH2 4.28Å; M192-W199 HydrophobicContact CG-CZ2 4.17Å; M192-W199 HydrophobicContact CG-CZ3 4.32Å; V193-W199 HydrophobicContact CG2-CB 4.12Å; D196-W199 HydrophobicContact CB-CB 4.28Å; D196-W199 HydrophobicContact CB-CG 4.25Å; D196-W199 PolarHBondContact O-N 3.25Å; D196-W199 VanDerWaalsContact O-N 3.11Å; W199-L202 PolarHBondContact O-N 2.94Å; W199-S203 WeakPolarHBondContact O-CB 3.31Å; W199-S203 PolarHBondContact O-N 3.35Å; W199-W208 HydrophobicContact CE3-CH2 4.26Å; W199-W208 WeakPolarHBondContact O-CH2 3.18Å; W199-Y230 HydrophobicContact CH2-CD2 4.03Å; W199-Y230 AromaticContact CH2-CE2 3.55Å; W199-Y230 HydrophobicContact CH2-CE2 3.55Å; W199-Y230 AromaticContact CH2-CZ 3.84Å; W199-Y230 HydrophobicContact CZ2-CE2 4.4Å; W199-Y230 HydrophobicContact CZ3-CD2 4.43Å; W199-Y230 HydrophobicContact CZ3-CE2 4.22Å; W199-I233 HydrophobicContact CD2-CG2 4.24Å; W199-I233 HydrophobicContact CE3-CD1 4.34Å; W199-I233 HydrophobicContact CE3-CG2 3.84Å; W199-I233 HydrophobicContact CH2-CB 4.29Å; W199-I233 HydrophobicContact CH2-CG2 3.77Å; W199-I233 HydrophobicContact CZ2-CG2 4.19Å; W199-I233 HydrophobicContact CZ3-CB 4.16Å; W199-I233 HydrophobicContact CZ3-CD1 3.79Å; W199-I233 HydrophobicContact CZ3-CG2 3.59Å; W199-I234 HydrophobicContact CH2-CD1 4.09Å; W199-I234 HydrophobicContact CZ2-CD1 3.73Å; W199-I237 HydrophobicContact CD2-CD1 4.44Å; W199-I237 HydrophobicContact CZ2-CD1 4.02Å
200K94.2Very high92.8Very high108 Ų10856.6 Ų56.647%0.4727%0.273SS..Hα-helixtrans-58.7-53.3174.6-173.9179.7173.6-171.20111.6V193 D196 P197 L202 S203 E204V193-K200 HydrophobicContact CG1-CB 4.29Å; V193-K200 HydrophobicContact CG1-CG 4.45Å; D196-K200 PolarHBondContact O-N 3.33Å; D196-K200 VanDerWaalsContact O-N 3.11Å; P197-K200 PolarHBondContact O-N 2.95Å; K200-L202 VanDerWaalsContact C-N 3.32Å; K200-L202 PolarHBondContact O-N 3.23Å; K200-S203 WeakPolarHBondContact O-CB 3.2Å; K200-S203 PolarHBondContact O-N 3.13Å; K200-S203 PolarHBondContact O-OG 3.02Å; K200-E204 WeakPolarHBondContact CE-OE1 3.47Å; K200-E204 PolarHBondContact O-N 3.17Å
201G91.9Very high92.6Very high9 Ų959.7 Ų59.79%0.09328%0.284CS..Hα-helixtrans-65.6-33-179.300000113.5P197 S203 R205P197-G201 PolarHBondContact O-N 3.18Å; G201-S203 VanDerWaalsContact C-N 3.35Å; G201-R205 WeakPolarHBondContact O-CB 3.39Å; G201-R205 VanDerWaalsContact O-CG 3.24Å; G201-R205 WeakPolarHBondContact O-CG 3.18Å; G201-R205 PolarHBondContact O-N 3.46Å
202L93.9Very high92.2Very high1 Ų156.2 Ų56.21%0.00527%0.271CS..Hα-helixtrans-66.4-38171.8-80.5176.3000112.3L198 W199 K200 E204 R206 W208 I233 I237 I240 F524 L541L198-L202 HydrophobicContact CD1-CD1 4.34Å; L198-L202 HydrophobicContact CD1-CG 4.47Å; L198-L202 HydrophobicContact CG-CD1 4.31Å; L198-L202 WeakPolarHBondContact O-CB 3.4Å; L198-L202 WeakPolarHBondContact O-CG 3.2Å; L198-L202 PolarHBondContact O-N 3.07Å; W199-L202 PolarHBondContact O-N 2.94Å; K200-L202 VanDerWaalsContact C-N 3.32Å; K200-L202 PolarHBondContact O-N 3.23Å; L202-E204 VanDerWaalsContact C-N 3.33Å; L202-E204 PolarHBondContact O-N 3.34Å; L202-R206 VanDerWaalsContact O-CB 3.27Å; L202-R206 WeakPolarHBondContact O-CB 3.48Å; L202-R206 WeakPolarHBondContact O-CG 3.46Å; L202-R206 PolarHBondContact O-N 3.47Å; L202-W208 HydrophobicContact CB-CZ2 3.85Å; L202-I233 HydrophobicContact CD1-CG2 4.44Å; L202-I237 HydrophobicContact CD1-CD1 4.16Å; L202-I237 HydrophobicContact CD1-CG1 3.46Å; L202-I237 VanDerWaalsContact CD1-CG1 3.46Å; L202-I240 HydrophobicContact CD1-CD1 4.3Å; L202-I240 HydrophobicContact CD2-CD1 3.68Å; L202-I240 HydrophobicContact CG-CD1 4.43Å; L202-F524 HydrophobicContact CD2-CD1 4.4Å; L202-F524 HydrophobicContact CD2-CE1 3.56Å; L202-F524 HydrophobicContact CD2-CZ 4.21Å; L202-F524 HydrophobicContact CG-CE1 3.61Å; L202-F524 HydrophobicContact CG-CZ 3.88Å; L202-L541 HydrophobicContact CD2-CD1 3.8Å
203S94.6Very high91.8Very high3 Ų358.4 Ų58.42%0.02128%0.28CS..Hα-helixtrans-61.2-43.8-179.878.30000112.1W199 K200 G201 G207 W208 D209W199-S203 WeakPolarHBondContact O-CB 3.31Å; W199-S203 PolarHBondContact O-N 3.35Å; K200-S203 WeakPolarHBondContact O-CB 3.2Å; K200-S203 PolarHBondContact O-N 3.13Å; K200-S203 PolarHBondContact O-OG 3.02Å; G201-S203 VanDerWaalsContact C-N 3.35Å; S203-G207 WeakPolarHBondContact O-CA 3.3Å; S203-G207 PolarHBondContact O-N 3.02Å; S203-W208 VanDerWaalsContact CA-CE2 3.43Å; S203-W208 VanDerWaalsContact CA-CZ2 3.4Å; S203-W208 VanDerWaalsContact N-CZ2 3.35Å; S203-W208 PolarHBondContact O-N 2.93Å; S203-W208 VanDerWaalsContact O-N 3.1Å; S203-D209 PolarHBondContact O-N 3.13Å
204E92.1Very high90.9Very high87 Ų8762.6 Ų62.641%0.40730%0.297SS..Hα-helixtrans-71.5-47.4179.4-66.9161.9177.900110.7K200 L202 R206 G207K200-E204 WeakPolarHBondContact CE-OE1 3.47Å; K200-E204 PolarHBondContact O-N 3.17Å; L202-E204 VanDerWaalsContact C-N 3.33Å; L202-E204 PolarHBondContact O-N 3.34Å; E204-R206 PolarHBondContact O-N 2.84Å; E204-G207 PolarHBondContact O-N 3.38Å
205R90.9Very high89.6Confident78 Ų7861.8 Ų61.829%0.29431%0.306SS..Hα-helixtrans-71.1-31.7-176.6-68.9-179.7-175.8-147.86.8114.3G201 D271 D522 L541G201-R205 WeakPolarHBondContact O-CB 3.39Å; G201-R205 VanDerWaalsContact O-CG 3.24Å; G201-R205 WeakPolarHBondContact O-CG 3.18Å; G201-R205 PolarHBondContact O-N 3.46Å; R205-D271 IonicContact NH2-OD1 3.2Å; R205-D522 IonicContact NH2-OD1 3.48Å; R205-D522 IonicContact NH2-OD2 3.45Å; R205-D522 PolarHBondContact NH2-OD2 2.8Å; R205-L541 HydrophobicContact CB-CD2 3.94Å; R205-L541 HydrophobicContact CG-CD2 4.43Å
206R91.7Very high88.1Confident104 Ų10465.7 Ų65.739%0.39231%0.309SS..Hα-helixtrans-93.3-8.7175.6-62.6-64-164.7-159.1-0.5112.6L202 E204 W208 D236L202-R206 VanDerWaalsContact O-CB 3.27Å; L202-R206 WeakPolarHBondContact O-CB 3.48Å; L202-R206 WeakPolarHBondContact O-CG 3.46Å; L202-R206 PolarHBondContact O-N 3.47Å; E204-R206 PolarHBondContact O-N 2.84Å; R206-W208 PolarHBondContact O-N 3.2Å; R206-D236 IonicContact CZ-OD1 3.87Å; R206-D236 IonicContact CZ-OD2 2.97Å; R206-D236 IonicContact NE-OD1 3.69Å; R206-D236 IonicContact NE-OD2 3.66Å; R206-D236 PolarHBondContact NE-OD2 2.87Å; R206-D236 IonicContact NH2-OD1 2.76Å; R206-D236 PolarHBondContact NH2-OD1 3.09Å; R206-D236 IonicContact NH2-OD2 3.7Å; R206-D236 PolarHBondContact NH2-OD2 3.48Å; R206-D236 VanDerWaalsContact NH2-OD2 3.16Å
207G91.1Very high86.5Confident25 Ų2568.6 Ų68.626%0.25833%0.331SS..THydrogen-bonded Turntrans67.431.3175.800000114.7S203 E204 Q210S203-G207 WeakPolarHBondContact O-CA 3.3Å; S203-G207 PolarHBondContact O-N 3.02Å; E204-G207 PolarHBondContact O-N 3.38Å; G207-Q210 VanDerWaalsContact O-CD 3.31Å; G207-Q210 VanDerWaalsContact O-CG 3.28Å; G207-Q210 WeakPolarHBondContact O-CG 3.34Å; G207-Q210 PolarHBondContact O-NE2 2.64Å
208W92.3Very high84.8Confident18 Ų1870 Ų707%0.06834%0.338CS..  trans-98.8-6.8171.849.9-100.7000113.2I189 V193 W199 L202 S203 R206 Q210 Y211 L212 L229 I233I189-W208 HydrophobicContact CG2-CE3 4.39Å; I189-W208 HydrophobicContact CG2-CH2 4.42Å; I189-W208 HydrophobicContact CG2-CZ3 3.72Å; V193-W208 HydrophobicContact CG2-CH2 3.94Å; V193-W208 HydrophobicContact CG2-CZ3 3.74Å; W199-W208 HydrophobicContact CE3-CH2 4.26Å; W199-W208 WeakPolarHBondContact O-CH2 3.18Å; L202-W208 HydrophobicContact CB-CZ2 3.85Å; S203-W208 VanDerWaalsContact CA-CE2 3.43Å; S203-W208 VanDerWaalsContact CA-CZ2 3.4Å; S203-W208 VanDerWaalsContact N-CZ2 3.35Å; S203-W208 PolarHBondContact O-N 2.93Å; S203-W208 VanDerWaalsContact O-N 3.1Å; R206-W208 PolarHBondContact O-N 3.2Å; W208-Q210 PolarHBondContact O-N 3.22Å; W208-Y211 HydrophobicContact CB-CD2 4.21Å; W208-Y211 PolarHBondContact O-N 3.22Å; W208-L212 HydrophobicContact CE3-CD1 3.84Å; W208-L212 HydrophobicContact CZ3-CD1 3.7Å; W208-L229 HydrophobicContact CB-CD2 4.2Å; W208-L229 HydrophobicContact CD2-CD2 4.4Å; W208-L229 HydrophobicContact CG-CD2 4.29Å; W208-I233 HydrophobicContact CD2-CD1 4.29Å; W208-I233 HydrophobicContact CE3-CD1 4.37Å; W208-I233 HydrophobicContact CH2-CD1 3.8Å; W208-I233 HydrophobicContact CZ2-CD1 3.69Å; W208-I233 HydrophobicContact CZ2-CG1 3.96Å; W208-I233 HydrophobicContact CZ2-CG2 4.31Å; W208-I233 HydrophobicContact CZ3-CD1 4.12Å
209D90.7Very high83.2Confident63 Ų6375.5 Ų75.534%0.33737%0.367SS..G310 helixtrans-55.4-33.416667.4-32.2000112.8S203 Y211 L212S203-D209 PolarHBondContact O-N 3.13Å; D209-Y211 PolarHBondContact O-N 3.07Å; D209-L212 WeakPolarHBondContact O-CB 3.46Å; D209-L212 PolarHBondContact O-N 3.38Å
210Q88.7Confident81.9Confident98 Ų9876.4 Ų76.446%0.45838%0.38SS..G310 helixtrans-57.4-18.2176.871.2-179-30.600113.6G207 W208 K214G207-Q210 VanDerWaalsContact O-CD 3.31Å; G207-Q210 VanDerWaalsContact O-CG 3.28Å; G207-Q210 WeakPolarHBondContact O-CG 3.34Å; G207-Q210 PolarHBondContact O-NE2 2.64Å; W208-Q210 PolarHBondContact O-N 3.22Å; Q210-K214 WeakPolarHBondContact O-CD 3.39Å; Q210-K214 WeakPolarHBondContact O-CE 3.48Å; Q210-K214 PolarHBondContact O-NZ 2.86Å
211Y88.5Confident81.5Confident79 Ų7972.6 Ų72.631%0.3137%0.366SS..G310 helixtrans-95.5-12.2176.8-54.3-64.5000112.9W208 D209 P221 F225 Y226W208-Y211 HydrophobicContact CB-CD2 4.21Å; W208-Y211 PolarHBondContact O-N 3.22Å; D209-Y211 PolarHBondContact O-N 3.07Å; Y211-P221 HydrophobicContact CD1-CG 3.86Å; Y211-P221 HydrophobicContact CG-CG 4Å; Y211-F225 HydrophobicContact CD2-CE1 4.04Å; Y211-F225 HydrophobicContact CD2-CZ 4.03Å; Y211-F225 HydrophobicContact CE2-CZ 4.1Å; Y211-F225 HydrophobicContact CG-CE1 4.36Å; Y211-Y226 PolarHBondContact O-OH 3.46Å
212L87.1Confident81.3Confident6 Ų676.1 Ų76.13%0.03139%0.388CS..SBendtrans-91.6158.7-177-56-178.1000111.4K186 I189 E190 V193 W208 D209 K214 Y226K186-L212 HydrophobicContact CG-CD2 4.44Å; I189-L212 HydrophobicContact CG2-CD1 3.92Å; I189-L212 HydrophobicContact CG2-CD2 4.12Å; E190-L212 HydrophobicContact CG-CB 4.18Å; E190-L212 HydrophobicContact CG-CD2 4.04Å; V193-L212 HydrophobicContact CG2-CD1 3.98Å; W208-L212 HydrophobicContact CE3-CD1 3.84Å; W208-L212 HydrophobicContact CZ3-CD1 3.7Å; D209-L212 WeakPolarHBondContact O-CB 3.46Å; D209-L212 PolarHBondContact O-N 3.38Å; L212-K214 PolarHBondContact O-N 3.28Å; L212-Y226 HydrophobicContact CD2-CD1 4.37Å; L212-Y226 HydrophobicContact CD2-CE1 3.84Å
213F84.6Confident81.1Confident94 Ų9476.9 Ų76.941%0.41239%0.392SS..SBendtrans60.75.9174.6-48-65.9000116.8E190 V193 R194E190-F213 HydrophobicContact CB-CE1 3.74Å; E190-F213 HydrophobicContact CB-CZ 4.1Å; E190-F213 HydrophobicContact CG-CD1 4.1Å; E190-F213 HydrophobicContact CG-CE1 3.68Å; E190-F213 HydrophobicContact CG-CZ 4.02Å; E190-F213 PolarHBondContact OE1-N 2.97Å; V193-F213 HydrophobicContact CG1-CE2 4.15Å; V193-F213 HydrophobicContact CG1-CZ 4.15Å; R194-F213 HydrophobicContact CG-CE1 4.42Å; R194-F213 HydrophobicContact CG-CZ 4.37Å
214K77.9Confident80.9Confident98 Ų9880.2 Ų80.243%0.42642%0.415SS..  trans-77.1121.7169.3-68.7176.3171.5172.80109.9Q210 L212Q210-K214 WeakPolarHBondContact O-CD 3.39Å; Q210-K214 WeakPolarHBondContact O-CE 3.48Å; Q210-K214 PolarHBondContact O-NZ 2.86Å; L212-K214 PolarHBondContact O-N 3.28Å
215N66Low81Confident162 Ų16279.4 Ų79.487%0.86641%0.41SS*.  trans-78.7-19.9-176.2-66.5-25.6000113.7
216R61.5Low81.1Confident187 Ų18775.7 Ų75.771%0.70640%0.396SS*.  trans-99.8124.5-178.9-69-176.2-179.8168.70.4110.5T218R216-T218 PolarHBondContact O-N 3.49Å
217P59Low81.2Confident115 Ų11576.3 Ų76.375%0.74740%0.399SS*.G310 helixtrans-69.6-19.9178.625.6-31.8000113.2D219 G220P217-D219 PolarHBondContact O-N 3.05Å; P217-D219 VanDerWaalsContact O-N 3.11Å; P217-G220 PolarHBondContact O-N 3.35Å; P217-G220 VanDerWaalsContact O-N 3.1Å
218T56.9Low81.4Confident120 Ų12078.2 Ų78.274%0.73641%0.408SS*.G310 helixtrans-61.8-18.7-177.736.20000114.9R216R216-T218 PolarHBondContact O-N 3.49Å
219D59Low81.5Confident120 Ų12078.3 Ų78.364%0.64241%0.41SS*.G310 helixtrans-115.24.7178.2-58.5-50.4000112.9P217P217-D219 PolarHBondContact O-N 3.05Å; P217-D219 VanDerWaalsContact O-N 3.11Å
220G66.8Low81.8Confident30 Ų3076.4 Ų76.431%0.30940%0.398SS..SBendtrans-104.5140.9-171.100000113P217P217-G220 PolarHBondContact O-N 3.35Å; P217-G220 VanDerWaalsContact O-N 3.1Å
221P85.4Confident82.1Confident27 Ų2775.4 Ų75.418%0.17540%0.4CS..  trans-64.5155.9172.825-31.4000111.8Y211 F225 Y226Y211-P221 HydrophobicContact CD1-CG 3.86Å; Y211-P221 HydrophobicContact CG-CG 4Å; P221-F225 HydrophobicContact CB-CB 3.84Å; P221-F225 HydrophobicContact CB-CD1 3.69Å; P221-F225 HydrophobicContact CB-CD2 4.46Å; P221-F225 HydrophobicContact CB-CE1 4.36Å; P221-F225 HydrophobicContact CB-CG 3.74Å; P221-F225 HydrophobicContact CG-CD1 3.49Å; P221-F225 VanDerWaalsContact CG-CD1 3.49Å; P221-F225 HydrophobicContact CG-CE1 3.82Å; P221-F225 HydrophobicContact CG-CG 4.09Å; P221-Y226 WeakPolarHBondContact CD-OH 3.34Å; P221-Y226 HydrophobicContact CG-CE1 4.49Å; P221-Y226 HydrophobicContact CG-CE2 4.06Å; P221-Y226 WeakPolarHBondContact CG-OH 3.35Å; P221-Y226 VanDerWaalsContact O-CE2 3.31Å; P221-Y226 WeakPolarHBondContact O-CE2 3.44Å
222P89.6Confident82.4Confident84 Ų8478.5 Ų78.555%0.54542%0.415SS..  trans-67.7162.9-177.528.5-36.2000112.8S224 F225P222-S224 PolarHBondContact O-N 3.04Å; P222-S224 VanDerWaalsContact O-N 3.09Å; P222-F225 VanDerWaalsContact O-CB 3.29Å; P222-F225 WeakPolarHBondContact O-CB 3.28Å; P222-F225 PolarHBondContact O-N 3.5Å
223N88.9Confident82.8Confident17 Ų1778.4 Ų78.49%0.09142%0.415CS..Hα-helixtrans-53.6-34.2178-170.756.8000113.4S180 M183 F225 Y226 R227S180-N223 WeakPolarHBondContact CA-ND2 3.33Å; S180-N223 WeakPolarHBondContact O-CB 3.3Å; M183-N223 HydrophobicContact CE-CB 4.19Å; M183-N223 HydrophobicContact SD-CB 3.65Å; N223-F225 PolarHBondContact O-N 2.81Å; N223-Y226 PolarHBondContact O-N 3.49Å; N223-R227 PolarHBondContact O-N 3.34Å
224S91.1Very high83.3Confident72 Ų7276.4 Ų76.450%0.50341%0.408SS..Hα-helixtrans-60.3-30.3177.457.30000113.6P222 S228P222-S224 PolarHBondContact O-N 3.04Å; P222-S224 VanDerWaalsContact O-N 3.09Å; S224-S228 WeakPolarHBondContact O-CB 3.47Å; S224-S228 PolarHBondContact O-N 3.31Å; S224-S228 VanDerWaalsContact O-N 3.07Å; S224-S228 PolarHBondContact O-OG 3.22Å
225F93.4Very high84.1Confident70 Ų7076.9 Ų76.931%0.30741%0.411SS..Hα-helixtrans-64.5-51.6173.4170.1-98.7000110.7Y211 P221 P222 N223 R227 S228 L229Y211-F225 HydrophobicContact CD2-CE1 4.04Å; Y211-F225 HydrophobicContact CD2-CZ 4.03Å; Y211-F225 HydrophobicContact CE2-CZ 4.1Å; Y211-F225 HydrophobicContact CG-CE1 4.36Å; P221-F225 HydrophobicContact CB-CB 3.84Å; P221-F225 HydrophobicContact CB-CD1 3.69Å; P221-F225 HydrophobicContact CB-CD2 4.46Å; P221-F225 HydrophobicContact CB-CE1 4.36Å; P221-F225 HydrophobicContact CB-CG 3.74Å; P221-F225 HydrophobicContact CG-CD1 3.49Å; P221-F225 VanDerWaalsContact CG-CD1 3.49Å; P221-F225 HydrophobicContact CG-CE1 3.82Å; P221-F225 HydrophobicContact CG-CG 4.09Å; P222-F225 VanDerWaalsContact O-CB 3.29Å; P222-F225 WeakPolarHBondContact O-CB 3.28Å; P222-F225 PolarHBondContact O-N 3.5Å; N223-F225 PolarHBondContact O-N 2.81Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 3.1Å; F225-S228 CarbonylContact O-C 3.58Å; F225-S228 PolarHBondContact O-N 3.13Å; F225-S228 VanDerWaalsContact O-N 3.09Å; F225-L229 HydrophobicContact CE1-CD2 3.92Å; F225-L229 HydrophobicContact CZ-CD2 4.23Å; F225-L229 WeakPolarHBondContact O-CB 3.2Å; F225-L229 PolarHBondContact O-N 3.12Å
226Y93.4Very high85.5Confident1 Ų170.5 Ų70.50%0.00438%0.377CS..Hα-helixtrans-64.3-39-179.8-60.1-76.2000112.2M183 K186 I189 Y211 L212 P221 N223 S228 L229 Y230M183-Y226 HydrophobicContact CE-CD2 3.65Å; M183-Y226 HydrophobicContact CE-CE2 3.46Å; M183-Y226 VanDerWaalsContact CE-CE2 3.46Å; K186-Y226 HydrophobicContact CB-CD1 4.13Å; K186-Y226 HydrophobicContact CB-CD2 3.86Å; K186-Y226 HydrophobicContact CB-CE1 4.27Å; K186-Y226 HydrophobicContact CB-CE2 4Å; K186-Y226 HydrophobicContact CB-CG 3.92Å; K186-Y226 HydrophobicContact CD-CE1 4.42Å; K186-Y226 HydrophobicContact CD-CE2 3.94Å; K186-Y226 HydrophobicContact CG-CD1 4.39Å; K186-Y226 HydrophobicContact CG-CE1 4.06Å; K186-Y226 HydrophobicContact CG-CE2 4.19Å; I189-Y226 HydrophobicContact CD1-CD1 4.23Å; Y211-Y226 PolarHBondContact O-OH 3.46Å; L212-Y226 HydrophobicContact CD2-CD1 4.37Å; L212-Y226 HydrophobicContact CD2-CE1 3.84Å; P221-Y226 WeakPolarHBondContact CD-OH 3.34Å; P221-Y226 HydrophobicContact CG-CE1 4.49Å; P221-Y226 HydrophobicContact CG-CE2 4.06Å; P221-Y226 WeakPolarHBondContact CG-OH 3.35Å; P221-Y226 VanDerWaalsContact O-CE2 3.31Å; P221-Y226 WeakPolarHBondContact O-CE2 3.44Å; N223-Y226 PolarHBondContact O-N 3.49Å; Y226-S228 VanDerWaalsContact C-N 3.27Å; Y226-S228 PolarHBondContact O-N 3.49Å; Y226-L229 PolarHBondContact O-N 2.87Å; Y226-Y230 PolarHBondContact O-N 2.78Å
227R94.2Very high87.1Confident116 Ų11662.8 Ų62.844%0.43835%0.35SS..Hα-helixtrans-58.5-38.8172.4-174.7177.6-173.6-91.30.6112.3E169 W185 N223 F225 P231E169-R227 IonicContact OE1-NE 2.74Å; E169-R227 PolarHBondContact OE1-NE 2.9Å; E169-R227 IonicContact OE2-CZ 3.16Å; E169-R227 VanDerWaalsContact OE2-CZ 3.24Å; E169-R227 IonicContact OE2-NE 3.79Å; E169-R227 PolarHBondContact OE2-NE 3.41Å; E169-R227 IonicContact OE2-NH2 3.92Å; E169-R227 PolarHBondContact OE2-NH2 3.38Å; W185-R227 HydrophobicContact CD2-CB 4.23Å; W185-R227 HydrophobicContact CD2-CG 4.29Å; W185-R227 HydrophobicContact CG-CB 3.9Å; W185-R227 HydrophobicContact CG-CG 4.37Å; W185-R227 HydrophobicContact CZ2-CG 4.35Å; N223-R227 PolarHBondContact O-N 3.34Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 3.1Å; R227-P231 WeakPolarHBondContact O-CD 3.32Å
228S94.5Very high88.7Confident66 Ų6662.5 Ų62.546%0.46234%0.338SS..Hα-helixtrans-81.3-24.4177.8-54.40000113.1S224 F225 Y226 P231S224-S228 WeakPolarHBondContact O-CB 3.47Å; S224-S228 PolarHBondContact O-N 3.31Å; S224-S228 VanDerWaalsContact O-N 3.07Å; S224-S228 PolarHBondContact O-OG 3.22Å; F225-S228 CarbonylContact O-C 3.58Å; F225-S228 PolarHBondContact O-N 3.13Å; F225-S228 VanDerWaalsContact O-N 3.09Å; Y226-S228 VanDerWaalsContact C-N 3.27Å; Y226-S228 PolarHBondContact O-N 3.49Å; S228-P231 WeakPolarHBondContact O-CG 3.44Å
229L95.1Very high90.5Very high20 Ų2059.2 Ų59.211%0.10532%0.319CS..Hα-helixtrans-75.4-41.1178.3179.162.8000111.3I189 W208 F225 Y226 K232 I233I189-L229 HydrophobicContact CD1-CD2 4.27Å; W208-L229 HydrophobicContact CB-CD2 4.2Å; W208-L229 HydrophobicContact CD2-CD2 4.4Å; W208-L229 HydrophobicContact CG-CD2 4.29Å; F225-L229 HydrophobicContact CE1-CD2 3.92Å; F225-L229 HydrophobicContact CZ-CD2 4.23Å; F225-L229 WeakPolarHBondContact O-CB 3.2Å; F225-L229 PolarHBondContact O-N 3.12Å; Y226-L229 PolarHBondContact O-N 2.87Å; L229-K232 WeakPolarHBondContact O-CA 3.01Å; L229-K232 WeakPolarHBondContact O-CB 3.26Å; L229-K232 PolarHBondContact O-N 3.2Å; L229-I233 HydrophobicContact CD1-CD1 4.3Å; L229-I233 HydrophobicContact CD1-CG1 4.15Å; L229-I233 HydrophobicContact CD2-CD1 4.14Å; L229-I233 HydrophobicContact CG-CD1 3.74Å; L229-I233 HydrophobicContact CG-CG1 4.07Å; L229-I233 PolarHBondContact O-N 3.24Å
230Y95.3Very high92.1Very high23 Ų2353.7 Ų53.79%0.0929%0.289CS..Hα-helixtrans-49.3-54.1-178.8-166-80.3000113.9A162 W185 L188 I189 W199 Y226 K232 I233 I234A162-Y230 HydrophobicContact CB-CD1 4.21Å; A162-Y230 HydrophobicContact CB-CE1 3.39Å; A162-Y230 HydrophobicContact CB-CE2 4.17Å; A162-Y230 WeakPolarHBondContact CB-OH 3.41Å; W185-Y230 HydrophobicContact CE3-CD2 4.03Å; W185-Y230 HydrophobicContact CE3-CG 4.01Å; W185-Y230 HydrophobicContact CZ3-CD1 4.04Å; W185-Y230 AromaticContact CZ3-CD2 3.95Å; W185-Y230 HydrophobicContact CZ3-CD2 3.95Å; W185-Y230 AromaticContact CZ3-CG 3.7Å; W185-Y230 HydrophobicContact CZ3-CG 3.7Å; L188-Y230 HydrophobicContact CD2-CD2 4.07Å; L188-Y230 HydrophobicContact CD2-CE2 3.63Å; L188-Y230 HydrophobicContact CG-CD2 4.49Å; L188-Y230 HydrophobicContact CG-CE2 3.93Å; I189-Y230 HydrophobicContact CD1-CD2 4.47Å; I189-Y230 HydrophobicContact CG1-CD2 3.89Å; W199-Y230 HydrophobicContact CH2-CD2 4.03Å; W199-Y230 AromaticContact CH2-CE2 3.55Å; W199-Y230 HydrophobicContact CH2-CE2 3.55Å; W199-Y230 AromaticContact CH2-CZ 3.84Å; W199-Y230 HydrophobicContact CZ2-CE2 4.4Å; W199-Y230 HydrophobicContact CZ3-CD2 4.43Å; W199-Y230 HydrophobicContact CZ3-CE2 4.22Å; Y226-Y230 PolarHBondContact O-N 2.78Å; Y230-K232 VanDerWaalsContact C-N 3.26Å; Y230-K232 PolarHBondContact O-N 2.94Å; Y230-I233 PolarHBondContact O-N 3.11Å; Y230-I233 VanDerWaalsContact O-N 3.14Å; Y230-I234 HydrophobicContact CD1-CG1 3.92Å; Y230-I234 HydrophobicContact CE1-CD1 3.87Å; Y230-I234 HydrophobicContact CE1-CG1 3.57Å; Y230-I234 WeakPolarHBondContact O-CG1 3.4Å; Y230-I234 PolarHBondContact O-N 2.86Å
231P95.9Very high93.4Very high76 Ų7654.2 Ų54.249%0.49428%0.283SS..Hα-helixtrans-64.5-29.3178.625.8-35.2000113.1R227 S228 I234 Q235R227-P231 WeakPolarHBondContact O-CD 3.32Å; S228-P231 WeakPolarHBondContact O-CG 3.44Å; P231-I234 PolarHBondContact O-N 3.07Å; P231-Q235 WeakPolarHBondContact O-CB 3.41Å; P231-Q235 PolarHBondContact O-N 3.02Å
232K95.3Very high93.8Very high144 Ų14455.1 Ų55.163%0.62629%0.29SS*.Hα-helixtrans-67.8-39.1174.3-64.4178.9-179.4-179.60111.6L229 Y230 Q235 D236L229-K232 WeakPolarHBondContact O-CA 3.01Å; L229-K232 WeakPolarHBondContact O-CB 3.26Å; L229-K232 PolarHBondContact O-N 3.2Å; Y230-K232 VanDerWaalsContact C-N 3.26Å; Y230-K232 PolarHBondContact O-N 2.94Å; K232-Q235 PolarHBondContact O-N 2.77Å; K232-D236 PolarHBondContact O-N 2.81Å
233I95.5Very high94Very high5 Ų551.8 Ų51.83%0.02627%0.268CS..Hα-helixtrans-64.1-45.8175.3-63.1168.6000110.1I189 W199 L202 W208 L229 Y230 Q235 D236 I237I189-I233 HydrophobicContact CD1-CD1 4.35Å; I189-I233 HydrophobicContact CG2-CD1 4.44Å; W199-I233 HydrophobicContact CD2-CG2 4.24Å; W199-I233 HydrophobicContact CE3-CD1 4.34Å; W199-I233 HydrophobicContact CE3-CG2 3.84Å; W199-I233 HydrophobicContact CH2-CB 4.29Å; W199-I233 HydrophobicContact CH2-CG2 3.77Å; W199-I233 HydrophobicContact CZ2-CG2 4.19Å; W199-I233 HydrophobicContact CZ3-CB 4.16Å; W199-I233 HydrophobicContact CZ3-CD1 3.79Å; W199-I233 HydrophobicContact CZ3-CG2 3.59Å; L202-I233 HydrophobicContact CD1-CG2 4.44Å; W208-I233 HydrophobicContact CD2-CD1 4.29Å; W208-I233 HydrophobicContact CE3-CD1 4.37Å; W208-I233 HydrophobicContact CH2-CD1 3.8Å; W208-I233 HydrophobicContact CZ2-CD1 3.69Å; W208-I233 HydrophobicContact CZ2-CG1 3.96Å; W208-I233 HydrophobicContact CZ2-CG2 4.31Å; W208-I233 HydrophobicContact CZ3-CD1 4.12Å; L229-I233 HydrophobicContact CD1-CD1 4.3Å; L229-I233 HydrophobicContact CD1-CG1 4.15Å; L229-I233 HydrophobicContact CD2-CD1 4.14Å; L229-I233 HydrophobicContact CG-CD1 3.74Å; L229-I233 HydrophobicContact CG-CG1 4.07Å; L229-I233 PolarHBondContact O-N 3.24Å; Y230-I233 PolarHBondContact O-N 3.11Å; Y230-I233 VanDerWaalsContact O-N 3.14Å; I233-Q235 VanDerWaalsContact C-N 3.31Å; I233-Q235 PolarHBondContact O-N 3.16Å; I233-D236 WeakPolarHBondContact O-CB 3.41Å; I233-D236 PolarHBondContact O-N 2.97Å; I233-D236 VanDerWaalsContact O-N 3.13Å; I233-I237 HydrophobicContact CG2-CD1 3.96Å; I233-I237 HydrophobicContact CG2-CG1 4.44Å; I233-I237 WeakPolarHBondContact O-CG1 3.48Å; I233-I237 PolarHBondContact O-N 2.98Å
234I95.3Very high94.3Very high52 Ų5251 Ų5127%0.26726%0.264SS..Hα-helixtrans-59.1-44.8176.4-62.6-58000111W199 Y230 P231 D236 I237 E238W199-I234 HydrophobicContact CH2-CD1 4.09Å; W199-I234 HydrophobicContact CZ2-CD1 3.73Å; Y230-I234 HydrophobicContact CD1-CG1 3.92Å; Y230-I234 HydrophobicContact CE1-CD1 3.87Å; Y230-I234 HydrophobicContact CE1-CG1 3.57Å; Y230-I234 WeakPolarHBondContact O-CG1 3.4Å; Y230-I234 PolarHBondContact O-N 2.86Å; P231-I234 PolarHBondContact O-N 3.07Å; I234-D236 VanDerWaalsContact C-N 3.29Å; I234-D236 PolarHBondContact O-N 3.09Å; I234-I237 PolarHBondContact O-N 3.28Å; I234-E238 HydrophobicContact CG2-CG 4.49Å; I234-E238 WeakPolarHBondContact O-CG 3.16Å; I234-E238 PolarHBondContact O-N 3.18Å
235Q94.9Very high94.3Very high107 Ų10754.7 Ų54.750%0.527%0.266SS..Hα-helixtrans-60.1-38.9176.4-173.960.972.300112.3P231 K232 I233 E238 T239P231-Q235 WeakPolarHBondContact O-CB 3.41Å; P231-Q235 PolarHBondContact O-N 3.02Å; K232-Q235 PolarHBondContact O-N 2.77Å; I233-Q235 VanDerWaalsContact C-N 3.31Å; I233-Q235 PolarHBondContact O-N 3.16Å; Q235-E238 PolarHBondContact O-N 2.82Å; Q235-T239 VanDerWaalsContact O-CG2 3.23Å; Q235-T239 WeakPolarHBondContact O-CG2 3.49Å; Q235-T239 PolarHBondContact O-N 2.91Å; Q235-T239 PolarHBondContact O-OG1 3.2Å
236D94.2Very high94.1Very high28 Ų2854.6 Ų54.615%0.1527%0.274CS..Hα-helixtrans-68.3-39177-15216.4000111.6R206 K232 I233 I234 E238 T239 I240R206-D236 IonicContact CZ-OD1 3.87Å; R206-D236 IonicContact CZ-OD2 2.97Å; R206-D236 IonicContact NE-OD1 3.69Å; R206-D236 IonicContact NE-OD2 3.66Å; R206-D236 PolarHBondContact NE-OD2 2.87Å; R206-D236 IonicContact NH2-OD1 2.76Å; R206-D236 PolarHBondContact NH2-OD1 3.09Å; R206-D236 IonicContact NH2-OD2 3.7Å; R206-D236 PolarHBondContact NH2-OD2 3.48Å; R206-D236 VanDerWaalsContact NH2-OD2 3.16Å; K232-D236 PolarHBondContact O-N 2.81Å; I233-D236 WeakPolarHBondContact O-CB 3.41Å; I233-D236 PolarHBondContact O-N 2.97Å; I233-D236 VanDerWaalsContact O-N 3.13Å; I234-D236 VanDerWaalsContact C-N 3.29Å; I234-D236 PolarHBondContact O-N 3.09Å; D236-E238 PolarHBondContact O-N 3.11Å; D236-T239 WeakPolarHBondContact CA-OG1 3.48Å; D236-T239 PolarHBondContact O-N 2.98Å; D236-T239 PolarHBondContact O-OG1 3Å; D236-I240 WeakPolarHBondContact O-CB 3.41Å; D236-I240 WeakPolarHBondContact O-CD1 3.47Å; D236-I240 WeakPolarHBondContact O-CG1 3.41Å; D236-I240 PolarHBondContact O-N 2.78Å
237I94.4Very high94Very high26 Ų2655.2 Ų55.213%0.13328%0.281CS..Hα-helixtrans-62.5-45173.9-69.2169.6000110.8L198 W199 L202 I233 I234 I240 E241L198-I237 HydrophobicContact CD2-CB 4.45Å; L198-I237 HydrophobicContact CD2-CD1 4.14Å; L198-I237 HydrophobicContact CD2-CG1 3.92Å; L198-I237 HydrophobicContact CD2-CG2 3.81Å; L198-I237 HydrophobicContact CG-CG1 4.37Å; W199-I237 HydrophobicContact CD2-CD1 4.44Å; W199-I237 HydrophobicContact CZ2-CD1 4.02Å; L202-I237 HydrophobicContact CD1-CD1 4.16Å; L202-I237 HydrophobicContact CD1-CG1 3.46Å; L202-I237 VanDerWaalsContact CD1-CG1 3.46Å; I233-I237 HydrophobicContact CG2-CD1 3.96Å; I233-I237 HydrophobicContact CG2-CG1 4.44Å; I233-I237 WeakPolarHBondContact O-CG1 3.48Å; I233-I237 PolarHBondContact O-N 2.98Å; I234-I237 PolarHBondContact O-N 3.28Å; I237-I240 PolarHBondContact O-N 3.4Å; I237-E241 PolarHBondContact O-N 2.88Å
238E94.4Very high93.9Very high108 Ų10851.9 Ų51.951%0.50527%0.268SS..Hα-helixtrans-65-38.9178.4-72.8176.6-17900112.4I234 Q235 D236 S242I234-E238 HydrophobicContact CG2-CG 4.49Å; I234-E238 WeakPolarHBondContact O-CG 3.16Å; I234-E238 PolarHBondContact O-N 3.18Å; Q235-E238 PolarHBondContact O-N 2.82Å; D236-E238 PolarHBondContact O-N 3.11Å; E238-S242 VanDerWaalsContact O-CB 3.25Å; E238-S242 WeakPolarHBondContact O-CB 3.38Å; E238-S242 PolarHBondContact O-N 2.8Å
239T93.7Very high93.9Very high52 Ų5250.5 Ų50.532%0.31925%0.254SS..Hα-helixtrans-67-39.317656.20000111.2Q235 D236 S242 N243Q235-T239 VanDerWaalsContact O-CG2 3.23Å; Q235-T239 WeakPolarHBondContact O-CG2 3.49Å; Q235-T239 PolarHBondContact O-N 2.91Å; Q235-T239 PolarHBondContact O-OG1 3.2Å; D236-T239 WeakPolarHBondContact CA-OG1 3.48Å; D236-T239 PolarHBondContact O-N 2.98Å; D236-T239 PolarHBondContact O-OG1 3Å; T239-S242 WeakPolarHBondContact O-CB 3.47Å; T239-S242 PolarHBondContact O-N 3.38Å; T239-N243 WeakPolarHBondContact O-CB 3.41Å; T239-N243 PolarHBondContact O-N 3.09Å; T239-N243 PolarHBondContact O-ND2 3.07Å; T239-N243 PolarHBondContact O-OD1 3.43Å
240I93.4Very high93.9Very high4 Ų452.2 Ų52.22%0.02126%0.263CS..Hα-helixtrans-62.9-51.8175.3-67.2157.9000110.7L202 D236 I237 S242 N243 W244 F524 L541L202-I240 HydrophobicContact CD1-CD1 4.3Å; L202-I240 HydrophobicContact CD2-CD1 3.68Å; L202-I240 HydrophobicContact CG-CD1 4.43Å; D236-I240 WeakPolarHBondContact O-CB 3.41Å; D236-I240 WeakPolarHBondContact O-CD1 3.47Å; D236-I240 WeakPolarHBondContact O-CG1 3.41Å; D236-I240 PolarHBondContact O-N 2.78Å; I237-I240 PolarHBondContact O-N 3.4Å; I240-S242 PolarHBondContact O-N 2.93Å; I240-N243 WeakPolarHBondContact O-CB 3.46Å; I240-N243 PolarHBondContact O-N 2.93Å; I240-W244 VanDerWaalsContact O-CD1 3.22Å; I240-W244 PolarHBondContact O-N 2.93Å; I240-F524 HydrophobicContact CD1-CD1 4.24Å; I240-F524 HydrophobicContact CD1-CE1 4.17Å; I240-L541 HydrophobicContact CD1-CD1 3.45Å; I240-L541 VanDerWaalsContact CD1-CD1 3.45Å; I240-L541 HydrophobicContact CG1-CD1 3.82Å
241E93.4Very high93.8Very high40 Ų4053 Ų5319%0.18727%0.269CS..Hα-helixtrans-55.5-41.8175.5-77.6-77.3166.900111.6I237 W244 R245 K475 R476I237-E241 PolarHBondContact O-N 2.88Å; E241-W244 PolarHBondContact O-N 2.95Å; E241-R245 VanDerWaalsContact O-CG 3.32Å; E241-R245 WeakPolarHBondContact O-CG 3.47Å; E241-R245 PolarHBondContact O-N 2.71Å; E241-K475 IonicContact OE1-NZ 2.77Å; E241-K475 PolarHBondContact OE1-NZ 3.16Å; E241-R476 IonicContact OE1-NH2 2.87Å; E241-R476 PolarHBondContact OE1-NH2 2.96Å; E241-R476 IonicContact OE2-CZ 3.9Å; E241-R476 IonicContact OE2-NH2 3.41Å; E241-R476 PolarHBondContact OE2-NH2 2.77Å
242S93.6Very high93.8Very high47 Ų4752.3 Ų52.333%0.32926%0.259SS..Hα-helixtrans-64.2-41.6174.8-174.30000112.1E238 T239 I240 R245 C246 R248E238-S242 VanDerWaalsContact O-CB 3.25Å; E238-S242 WeakPolarHBondContact O-CB 3.38Å; E238-S242 PolarHBondContact O-N 2.8Å; T239-S242 WeakPolarHBondContact O-CB 3.47Å; T239-S242 PolarHBondContact O-N 3.38Å; I240-S242 PolarHBondContact O-N 2.93Å; S242-R245 PolarHBondContact O-N 2.94Å; S242-C246 VanDerWaalsContact O-CB 3.29Å; S242-C246 WeakPolarHBondContact O-CB 3.25Å; S242-C246 PolarHBondContact O-N 3.48Å; S242-C246 PolarHBondContact O-SG 3.32Å; S242-C246 VanDerWaalsContact O-SG 3.32Å; S242-R248 VanDerWaalsContact C-NH2 3.3Å; S242-R248 PolarHBondContact O-NH2 3.36Å; S242-R248 PolarHBondContact OG-NH2 2.79Å
243N94.5Very high93.8Very high13 Ų1351.2 Ų51.27%0.0725%0.251CS..Hα-helixtrans-62.7-43.4177.8-70.8-16.2000111.4T239 I240 C246 G247 R248 F540 V543T239-N243 WeakPolarHBondContact O-CB 3.41Å; T239-N243 PolarHBondContact O-N 3.09Å; T239-N243 PolarHBondContact O-ND2 3.07Å; T239-N243 PolarHBondContact O-OD1 3.43Å; I240-N243 WeakPolarHBondContact O-CB 3.46Å; I240-N243 PolarHBondContact O-N 2.93Å; N243-C246 PolarHBondContact O-N 3.06Å; N243-G247 CarbonylContact O-C 3.57Å; N243-G247 WeakPolarHBondContact O-CA 3.39Å; N243-G247 PolarHBondContact O-N 3.3Å; N243-R248 HydrophobicContact CB-CB 4.28Å; N243-R248 PolarHBondContact O-N 3.14Å; N243-R248 PolarHBondContact OD1-NE 3.21Å; N243-R248 PolarHBondContact OD1-NH2 2.98Å; N243-F540 HydrophobicContact CB-CB 4.34Å; N243-F540 PolarHBondContact ND2-O 2.84Å; N243-V543 HydrophobicContact CB-CG2 4.37Å; N243-V543 WeakPolarHBondContact ND2-CG2 3.46Å
244W94.3Very high93.8Very high1 Ų151.3 Ų51.30%0.00425%0.252CS..Hα-helixtrans-62.1-45174.5-83.4101.9000113I240 E241 G247 R476 V478 V488 F521 D522 E523 I526 F540I240-W244 VanDerWaalsContact O-CD1 3.22Å; I240-W244 PolarHBondContact O-N 2.93Å; E241-W244 PolarHBondContact O-N 2.95Å; W244-G247 PolarHBondContact O-N 2.98Å; W244-R476 VanDerWaalsContact CG-CZ 3.48Å; W244-R476 VanDerWaalsContact NE1-NH1 3.2Å; W244-V478 HydrophobicContact CZ3-CG2 4.43Å; W244-V488 HydrophobicContact CE3-CG1 4.25Å; W244-V488 HydrophobicContact CE3-CG2 4.46Å; W244-V488 HydrophobicContact CZ3-CG1 4.34Å; W244-V488 HydrophobicContact CZ3-CG2 4.26Å; W244-F521 AromaticContact CH2-CD2 3.96Å; W244-F521 HydrophobicContact CH2-CD2 3.96Å; W244-D522 WeakPolarHBondContact CZ2-O 3.28Å; W244-E523 PolarHBondContact NE1-O 2.6Å; W244-I526 HydrophobicContact CH2-CD1 3.9Å; W244-I526 HydrophobicContact CH2-CG1 3.55Å; W244-I526 HydrophobicContact CZ3-CD1 3.69Å; W244-I526 HydrophobicContact CZ3-CG1 3.91Å; W244-F540 AromaticContact CD1-CG 3.89Å; W244-F540 HydrophobicContact CD2-CB 4.33Å; W244-F540 AromaticContact CD2-CD1 3.98Å; W244-F540 HydrophobicContact CD2-CD1 3.98Å; W244-F540 AromaticContact CD2-CD2 3.65Å; W244-F540 HydrophobicContact CD2-CD2 3.65Å; W244-F540 HydrophobicContact CD2-CE1 4.2Å; W244-F540 AromaticContact CD2-CE2 3.89Å; W244-F540 HydrophobicContact CD2-CE2 3.89Å; W244-F540 AromaticContact CD2-CG 3.71Å; W244-F540 HydrophobicContact CD2-CG 3.71Å; W244-F540 HydrophobicContact CD2-CZ 4.16Å; W244-F540 AromaticContact CE2-CD2 3.3Å; W244-F540 AromaticContact CE2-CE2 3.85Å; W244-F540 AromaticContact CE2-CG 3.61Å; W244-F540 HydrophobicContact CE3-CD1 4.46Å; W244-F540 HydrophobicContact CE3-CD2 4.08Å; W244-F540 HydrophobicContact CE3-CE1 4.21Å; W244-F540 AromaticContact CE3-CE2 3.81Å; W244-F540 HydrophobicContact CE3-CE2 3.81Å; W244-F540 HydrophobicContact CE3-CG 4.4Å; W244-F540 AromaticContact CE3-CZ 3.89Å; W244-F540 HydrophobicContact CE3-CZ 3.89Å; W244-F540 HydrophobicContact CG-CB 4.19Å; W244-F540 HydrophobicContact CG-CD1 4.03Å; W244-F540 HydrophobicContact CG-CD2 4.35Å; W244-F540 AromaticContact CG-CG 3.93Å; W244-F540 HydrophobicContact CG-CG 3.93Å; W244-F540 AromaticContact CH2-CD2 3.89Å; W244-F540 HydrophobicContact CH2-CD2 3.89Å; W244-F540 AromaticContact CH2-CE2 3.67Å; W244-F540 HydrophobicContact CH2-CE2 3.67Å; W244-F540 HydrophobicContact CH2-CZ 4.48Å; W244-F540 AromaticContact CZ2-CD2 3.43Å; W244-F540 HydrophobicContact CZ2-CD2 3.43Å; W244-F540 VanDerWaalsContact CZ2-CD2 3.43Å; W244-F540 AromaticContact CZ2-CE2 3.74Å; W244-F540 HydrophobicContact CZ2-CE2 3.74Å; W244-F540 HydrophobicContact CZ2-CG 4.22Å; W244-F540 HydrophobicContact CZ3-CD2 4.2Å; W244-F540 AromaticContact CZ3-CE2 3.72Å; W244-F540 HydrophobicContact CZ3-CE2 3.72Å; W244-F540 HydrophobicContact CZ3-CZ 4.07Å; W244-F540 AromaticContact NE1-CD2 3.79Å; W244-F540 AromaticContact NE1-CG 3.7Å
245R91.6Very high93.7Very high149 Ų14953.7 Ų53.756%0.56226%0.262SS*.Hα-helixtrans-65.9-41.1177.8-72173.4-178.5-178.60.4112.4E241 S242E241-R245 VanDerWaalsContact O-CG 3.32Å; E241-R245 WeakPolarHBondContact O-CG 3.47Å; E241-R245 PolarHBondContact O-N 2.71Å; S242-R245 PolarHBondContact O-N 2.94Å
246C90.3Very high93.4Very high69 Ų6948.7 Ų48.747%0.46624%0.238SC..Hα-helixtrans-81.7-14.8179.7-64.70000113.2S242 N243 R248S242-C246 VanDerWaalsContact O-CB 3.29Å; S242-C246 WeakPolarHBondContact O-CB 3.25Å; S242-C246 PolarHBondContact O-N 3.48Å; S242-C246 PolarHBondContact O-SG 3.32Å; S242-C246 VanDerWaalsContact O-SG 3.32Å; N243-C246 PolarHBondContact O-N 3.06Å; C246-R248 VanDerWaalsContact C-N 3.34Å; C246-R248 HydrophobicContact CB-CG 4.24Å; C246-R248 VanDerWaalsContact CB-NH1 3.28Å; C246-R248 PolarHBondContact SG-NH1 3.02Å
247G90.9Very high93Very high14 Ų1457 Ų5714%0.14427%0.268CS..THydrogen-bonded Turntrans70.925.9-172.700000113.6N243 W244 H249N243-G247 CarbonylContact O-C 3.57Å; N243-G247 WeakPolarHBondContact O-CA 3.39Å; N243-G247 PolarHBondContact O-N 3.3Å; W244-G247 PolarHBondContact O-N 2.98Å; G247-H249 PolarHBondContact O-ND1 2.95Å
248R92.2Very high92.4Very high46 Ų4656.2 Ų56.217%0.17426%0.264CS..  trans-78.8120.6173.4-71-172.9-62.9-85.8-9.1109.1S242 N243 C246 F540 V543 A547S242-R248 VanDerWaalsContact C-NH2 3.3Å; S242-R248 PolarHBondContact O-NH2 3.36Å; S242-R248 PolarHBondContact OG-NH2 2.79Å; N243-R248 HydrophobicContact CB-CB 4.28Å; N243-R248 PolarHBondContact O-N 3.14Å; N243-R248 PolarHBondContact OD1-NE 3.21Å; N243-R248 PolarHBondContact OD1-NH2 2.98Å; C246-R248 VanDerWaalsContact C-N 3.34Å; C246-R248 HydrophobicContact CB-CG 4.24Å; C246-R248 VanDerWaalsContact CB-NH1 3.28Å; C246-R248 PolarHBondContact SG-NH1 3.02Å; R248-F540 VanDerWaalsContact O-CD1 3.28Å; R248-F540 WeakPolarHBondContact O-CD1 3.34Å; R248-V543 HydrophobicContact CB-CG1 4Å; R248-V543 HydrophobicContact CB-CG2 4.46Å; R248-A547 VanDerWaalsContact CD-O 3.25Å; R248-A547 WeakPolarHBondContact CD-O 3.16Å
249H93.8Very high91.3Very high36 Ų3659.2 Ų59.217%0.16728%0.278CS..  trans-148.9154.3-176.158.5-80.3000110.7G247 W538 D539 F540G247-H249 PolarHBondContact O-ND1 2.95Å; H249-W538 AromaticContact CD2-CE3 3.49Å; H249-W538 VanDerWaalsContact CD2-CE3 3.49Å; H249-W538 AromaticContact CE1-CE3 3.92Å; H249-W538 AromaticContact CE1-CZ3 3.87Å; H249-W538 AromaticContact NE2-CE3 3.37Å; H249-W538 AromaticContact NE2-CZ3 3.45Å; H249-W538 WeakPolarHBondContact NE2-CZ3 3.4Å; H249-D539 CarbonylContact C-O 3.57Å; H249-D539 VanDerWaalsContact CA-O 3.22Å; H249-D539 WeakPolarHBondContact CA-O 3.44Å; H249-F540 HydrophobicContact CB-CD1 4.01Å; H249-F540 HydrophobicContact CB-CE1 3.89Å; H249-F540 HydrophobicContact CB-CZ 4.32Å
250N94.8Very high90.6Very high56 Ų5664 Ų6430%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-90.4137.5161.2-174.626.2000108.7D539 N542N250-D539 HydrophobicContact CB-CB 4.29Å; N250-D539 PolarHBondContact N-O 3.28Å; N250-D539 PolarHBondContact O-N 2.61Å; N250-N542 WeakPolarHBondContact CB-O 3.48Å
251L94.5Very high90.2Very high39 Ų3966 Ų6620%0.20432%0.316CS..EExtended strand (participates in β ladder)trans-118118.3-174.9-171.169.6000110.3R253 E511 L536 I537 W538L251-R253 VanDerWaalsContact CD2-CZ 3.42Å; L251-E511 HydrophobicContact CD2-CB 4.04Å; L251-E511 HydrophobicContact CD2-CG 3.71Å; L251-L536 HydrophobicContact CD1-CB 4.15Å; L251-L536 HydrophobicContact CD1-CD1 4.47Å; L251-L536 HydrophobicContact CD1-CD2 4.45Å; L251-I537 WeakPolarHBondContact CA-O 3.38Å; L251-W538 HydrophobicContact CD1-CD2 3.8Å; L251-W538 HydrophobicContact CD1-CE3 3.88Å; L251-W538 HydrophobicContact CD1-CG 4.2Å; L251-W538 HydrophobicContact CD1-CZ3 4.29Å
252Q95Very high90Very high62 Ų6270 Ų7029%0.2933%0.333SS..EExtended strand (participates in β ladder)trans-107.8140.4170.4-55.1168.8-54.100109.1L291 L536 I537Q252-L291 HydrophobicContact CB-CD1 3.85Å; Q252-L291 HydrophobicContact CG-CD1 4.44Å; Q252-L536 WeakPolarHBondContact O-CA 3.42Å; Q252-I537 HydrophobicContact CB-CB 4.2Å; Q252-I537 HydrophobicContact CB-CD1 4.47Å; Q252-I537 PolarHBondContact N-O 2.83Å; Q252-I537 PolarHBondContact O-N 2.76Å
253R95.4Very high90Very high122 Ų12267.7 Ų67.746%0.4632%0.317SS..EExtended strand (participates in β ladder)trans-120.4123.5-178.6-59.6-152.5156.686.4-9.7110.6L251 E511 L536L251-R253 VanDerWaalsContact CD2-CZ 3.42Å; R253-E511 IonicContact CZ-OE2 4Å; R253-E511 IonicContact NH1-OE2 3.7Å; R253-E511 PolarHBondContact NH2-O 3.1Å; R253-E511 IonicContact NH2-OE2 3.44Å; R253-E511 PolarHBondContact NH2-OE2 2.77Å; R253-L536 HydrophobicContact CB-CD2 4.04Å; R253-L536 HydrophobicContact CG-CD2 3.39Å
254I95Very high90.1Very high7 Ų767.1 Ų67.14%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-101.7124.3168-46.5-176.2000107.8I274 W286 L291 T534 I535 I537I254-I274 HydrophobicContact CD1-CD1 4.1Å; I254-W286 HydrophobicContact CD1-CB 4.42Å; I254-W286 HydrophobicContact CD1-CG 4.45Å; I254-W286 HydrophobicContact CG2-CD2 3.96Å; I254-W286 HydrophobicContact CG2-CE3 3.59Å; I254-W286 HydrophobicContact CG2-CH2 4Å; I254-W286 HydrophobicContact CG2-CZ2 4.31Å; I254-W286 HydrophobicContact CG2-CZ3 3.6Å; I254-L291 HydrophobicContact CD1-CB 4.16Å; I254-L291 HydrophobicContact CD1-CD2 3.97Å; I254-L291 HydrophobicContact CG1-CB 4.12Å; I254-L291 HydrophobicContact CG1-CD1 4.37Å; I254-L291 HydrophobicContact CG1-CD2 4.32Å; I254-T534 WeakPolarHBondContact O-CA 3.44Å; I254-I535 HydrophobicContact CB-CB 4.18Å; I254-I535 PolarHBondContact N-O 2.79Å; I254-I535 PolarHBondContact O-N 3.35Å; I254-I537 HydrophobicContact CD1-CD1 4.38Å
255Q93Very high90.3Very high102 Ų10269.1 Ų69.148%0.47732%0.322SS..EExtended strand (participates in β ladder)trans-91.8114.9170.6-69.3-68.2-17.400108.2R257 T534Q255-R257 HydrophobicContact CB-CG 4.37Å; Q255-R257 PolarHBondContact O-N 2.93Å; Q255-T534 VanDerWaalsContact NE2-CG2 3.35Å
256C88.7Confident90.5Very high1 Ų162.3 Ų62.31%0.00730%0.297CS..  trans-71.9-16.9-175.3-66.20000113.3S258 V264 L278 K284 W286 D533C256-S258 PolarHBondContact O-N 3.5Å; C256-V264 HydrophobicContact CB-CG2 4.15Å; C256-V264 VanDerWaalsContact SG-CG2 3.52Å; C256-L278 HydrophobicContact CB-CD2 4.03Å; C256-K284 PolarHBondContact O-NZ 3.11Å; C256-W286 HydrophobicContact CB-CH2 4.48Å; C256-W286 HydrophobicContact CB-CZ2 4.09Å; C256-D533 WeakPolarHBondContact CB-O 3.44Å; C256-D533 PolarHBondContact N-O 3.49Å
257R86.1Confident90.9Very high204 Ų20459.3 Ų59.377%0.7728%0.276SS*.  trans4954.9178.4-58-176.4-172.8-170.54.1111.1Q255 E259 D533Q255-R257 HydrophobicContact CB-CG 4.37Å; Q255-R257 PolarHBondContact O-N 2.93Å; R257-E259 PolarHBondContact O-N 2.87Å; R257-D533 PolarHBondContact N-OD2 3Å
258S81.9Confident91.3Very high9 Ų960.7 Ų60.76%0.06328%0.279CS..  trans-68.3126.5173.5-600000109.8C256 S261 D533C256-S258 PolarHBondContact O-N 3.5Å; S258-S261 WeakPolarHBondContact CB-O 3.11Å; S258-D533 WeakPolarHBondContact CB-OD1 3.34Å; S258-D533 WeakPolarHBondContact CB-OD2 3.23Å; S258-D533 PolarHBondContact N-OD2 2.92Å; S258-D533 VanDerWaalsContact OG-CG 3.31Å; S258-D533 PolarHBondContact OG-OD1 3.46Å; S258-D533 PolarHBondContact OG-OD2 3.32Å
259E71.9Confident91.5Very high170 Ų17059.1 Ų59.179%0.79427%0.273SS*.SBendtrans-63.7-46.6-172.9-66.4-66.715700112.6R257R257-E259 PolarHBondContact O-N 2.87Å
260N77.9Confident91.6Very high152 Ų15259.3 Ų59.381%0.81328%0.275SS*.SBendtrans-118.9-61.9-173.7-73.6-19.6000113
261S84.6Confident91.4Very high46 Ų4661.5 Ų61.532%0.32229%0.287SS..SBendtrans-102.9110.8-177.1-690000110.5S258S258-S261 WeakPolarHBondContact CB-O 3.11Å
262K90.8Very high91.4Very high124 Ų12466.1 Ų66.154%0.53931%0.307SS..  trans-76.6143.9180-66.7-174.1-177.6-172.80112.5R279 D533K262-R279 WeakPolarHBondContact O-CD 3.19Å; K262-D533 HydrophobicContact CB-CB 4.02Å; K262-D533 HydrophobicContact CD-CB 4.4Å; K262-D533 HydrophobicContact CG-CB 4.23Å
263G92.6Very high91.5Very high0 Ų065.1 Ų65.10%030%0.302CS..  trans126.7143.616900000113.6R279 D533G263-R279 WeakPolarHBondContact O-CB 3.27Å; G263-R279 PolarHBondContact O-N 2.91Å; G263-D533 PolarHBondContact N-OD1 3.49Å
264V96.6Very high91.6Very high0 Ų059.3 Ų59.30%028%0.28CS..EExtended strand (participates in β ladder)trans-115.5105.5-178.2-178.50000108.8C256 L278 F517 S529 S530 I535C256-V264 HydrophobicContact CB-CG2 4.15Å; C256-V264 VanDerWaalsContact SG-CG2 3.52Å; V264-L278 HydrophobicContact CG2-CG 4.33Å; V264-F517 WeakPolarHBondContact O-CB 3.32Å; V264-F517 WeakPolarHBondContact O-CD2 3.35Å; V264-S529 PolarHBondContact O-OG 2.88Å; V264-S530 PolarHBondContact N-O 3.15Å; V264-S530 VanDerWaalsContact N-O 3.13Å; V264-I535 HydrophobicContact CG1-CD1 4.46Å; V264-I535 HydrophobicContact CG1-CG1 4.36Å; V264-I535 HydrophobicContact CG2-CG1 4.42Å
265Y97.8Very high91.8Very high44 Ų4459 Ų5917%0.17328%0.279CS..EExtended strand (participates in β ladder)trans-77.9-35.8-171.4-80.1-61.7000114G277 R279 V304 L305 F517Y265-G277 PolarHBondContact N-O 3.08Å; Y265-R279 HydrophobicContact CD2-CB 4.3Å; Y265-R279 HydrophobicContact CE2-CB 3.84Å; Y265-R279 HydrophobicContact CE2-CG 3.72Å; Y265-V304 WeakPolarHBondContact CB-O 3.37Å; Y265-L305 HydrophobicContact CD1-CD2 4.43Å; Y265-L305 HydrophobicContact CD2-CD2 3.78Å; Y265-L305 HydrophobicContact CE2-CD2 3.84Å; Y265-L305 HydrophobicContact CG-CD2 4.09Å; Y265-F517 HydrophobicContact CD1-CD1 4.16Å; Y265-F517 AromaticContact CD1-CD2 3.93Å; Y265-F517 HydrophobicContact CD1-CD2 3.93Å; Y265-F517 HydrophobicContact CD1-CE1 4.25Å; Y265-F517 AromaticContact CD1-CE2 3.99Å; Y265-F517 HydrophobicContact CD1-CE2 3.99Å; Y265-F517 HydrophobicContact CD1-CG 4.01Å; Y265-F517 HydrophobicContact CD1-CZ 4.16Å; Y265-F517 HydrophobicContact CE1-CD1 4.35Å; Y265-F517 HydrophobicContact CE1-CD2 4.28Å; Y265-F517 AromaticContact CE1-CE1 3.98Å; Y265-F517 HydrophobicContact CE1-CE1 3.98Å; Y265-F517 AromaticContact CE1-CE2 3.86Å; Y265-F517 HydrophobicContact CE1-CE2 3.86Å; Y265-F517 AromaticContact CE1-CZ 3.71Å; Y265-F517 HydrophobicContact CE1-CZ 3.71Å
266C97.5Very high92Very high6 Ų654.1 Ų54.14%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-141.5150.8-176.754.70000110.8S276 G277 C306 L307C266-S276 WeakPolarHBondContact O-CA 3.47Å; C266-G277 PolarHBondContact O-N 2.77Å; C266-C306 VanDerWaalsContact SG-C 3.52Å; C266-C306 VanDerWaalsContact SG-CA 3.54Å; C266-L307 HydrophobicContact CB-CD2 4.48Å; C266-L307 HydrophobicContact CB-CG 4.25Å; C266-L307 VanDerWaalsContact SG-CD2 3.59Å
267L98Very high92.4Very high6 Ų654 Ų543%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-147.3150.317778.492.9000109.2Y269 I275 R518 Q520 I527 S529L267-Y269 HydrophobicContact CD1-CD1 4.3Å; L267-I275 CarbonylContact C-O 3.55Å; L267-I275 VanDerWaalsContact CA-O 3.25Å; L267-I275 WeakPolarHBondContact CA-O 3.17Å; L267-R518 HydrophobicContact CD2-CB 4.26Å; L267-R518 HydrophobicContact CG-CB 4.33Å; L267-R518 HydrophobicContact CG-CG 4.21Å; L267-Q520 HydrophobicContact CD1-CB 4.08Å; L267-I527 HydrophobicContact CD1-CB 4.17Å; L267-I527 HydrophobicContact CD1-CG2 3.92Å; L267-I527 HydrophobicContact CD2-CG2 4.27Å; L267-S529 VanDerWaalsContact CD2-CB 3.48Å
268Q98.4Very high92.9Very high42 Ų4244.3 Ų44.320%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-142.5146.9162.4-174.6-176.2-18.300108.3I275 L307 Q308 Y309Q268-I275 PolarHBondContact N-O 2.83Å; Q268-I275 PolarHBondContact O-N 3.36Å; Q268-L307 HydrophobicContact CB-CD1 3.84Å; Q268-Q308 VanDerWaalsContact OE1-CA 3.22Å; Q268-Y309 HydrophobicContact CB-CD1 3.76Å; Q268-Y309 HydrophobicContact CB-CE1 3.55Å; Q268-Y309 VanDerWaalsContact CD-CE1 3.41Å; Q268-Y309 HydrophobicContact CG-CD1 3.72Å; Q268-Y309 HydrophobicContact CG-CE1 3.35Å; Q268-Y309 PolarHBondContact NE2-O 2.91Å
269Y97.5Very high93.6Very high13 Ų1348.2 Ų48.25%0.05123%0.232CC..EExtended strand (participates in β ladder)trans-136.3159.6178.476.7-93000113.3L267 K273 Q520 D522 Q525 I527L267-Y269 HydrophobicContact CD1-CD1 4.3Å; Y269-K273 WeakPolarHBondContact CA-O 3.43Å; Y269-Q520 HydrophobicContact CD1-CB 3.83Å; Y269-Q520 VanDerWaalsContact CD1-CD 3.45Å; Y269-Q520 HydrophobicContact CD1-CG 3.82Å; Y269-Q520 HydrophobicContact CE1-CB 3.59Å; Y269-Q520 HydrophobicContact CE1-CG 3.42Å; Y269-Q520 VanDerWaalsContact CE1-CG 3.42Å; Y269-Q520 PolarHBondContact O-NE2 2.96Å; Y269-D522 WeakPolarHBondContact CE2-OD2 3.24Å; Y269-D522 WeakPolarHBondContact OH-CB 3.35Å; Y269-D522 PolarHBondContact OH-N 3.28Å; Y269-D522 VanDerWaalsContact OH-N 3.14Å; Y269-D522 PolarHBondContact OH-OD2 3.5Å; Y269-Q525 HydrophobicContact CE2-CG 4.49Å; Y269-I527 HydrophobicContact CD1-CB 3.83Å; Y269-I527 HydrophobicContact CD1-CD1 3.44Å; Y269-I527 VanDerWaalsContact CD1-CD1 3.44Å; Y269-I527 HydrophobicContact CD1-CG1 3.73Å; Y269-I527 HydrophobicContact CD2-CD1 3.77Å; Y269-I527 HydrophobicContact CE1-CB 3.94Å; Y269-I527 HydrophobicContact CE1-CD1 3.84Å; Y269-I527 HydrophobicContact CE1-CG1 3.7Å; Y269-I527 HydrophobicContact CE2-CD1 4.19Å; Y269-I527 HydrophobicContact CG-CD1 3.39Å; Y269-I527 HydrophobicContact CG-CG1 4.19Å
270D95.4Very high94.7Very high41 Ų4142.3 Ų42.322%0.21921%0.206CC..  trans-131.8-170.5163.959.645.4000109.3E272 K273 Y309D270-E272 PolarHBondContact O-N 3.43Å; D270-E272 WeakPolarHBondContact OD1-CA 3.35Å; D270-E272 WeakPolarHBondContact OD1-CB 3.43Å; D270-E272 PolarHBondContact OD1-N 3.41Å; D270-K273 PolarHBondContact N-O 2.84Å; D270-K273 WeakPolarHBondContact OD1-CG 3.48Å; D270-K273 PolarHBondContact OD1-N 2.83Å; D270-K273 IonicContact OD1-NZ 2.77Å; D270-K273 PolarHBondContact OD1-NZ 3.1Å; D270-K273 WeakPolarHBondContact OD2-CE 3.3Å; D270-K273 IonicContact OD2-NZ 3.97Å; D270-K273 PolarHBondContact OD2-NZ 2.76Å; D270-Y309 WeakPolarHBondContact CB-OH 3.23Å; D270-Y309 PolarHBondContact N-OH 3.13Å; D270-Y309 WeakPolarHBondContact OD2-CE2 3.23Å; D270-Y309 PolarHBondContact OD2-OH 3.41Å
271D91.5Very high95.5Very high102 Ų10237.5 Ų37.555%0.54518%0.18SC..SBendtrans-68.8-19.4-177.7-64.3-46.3000113.5R205R205-D271 IonicContact NH2-OD1 3.2Å
272E94.4Very high96.1Very high135 Ų13535.6 Ų35.663%0.63117%0.167SC*.SBendtrans-99.7-41.2-177.2-59178.2159.800112.8D270 K288D270-E272 PolarHBondContact O-N 3.43Å; D270-E272 WeakPolarHBondContact OD1-CA 3.35Å; D270-E272 WeakPolarHBondContact OD1-CB 3.43Å; D270-E272 PolarHBondContact OD1-N 3.41Å; E272-K288 VanDerWaalsContact C-CB 3.47Å; E272-K288 VanDerWaalsContact O-CB 3.27Å; E272-K288 WeakPolarHBondContact O-CB 3.27Å; E272-K288 PolarHBondContact O-N 3.26Å
273K95.9Very high96.4Very high41 Ų4129.7 Ų29.718%0.17814%0.141CC..EExtended strand (participates in β ladder)trans-143.6154.4-166.562.6-158.2160.9-63.20113.8Y269 D270 I285 W286Y269-K273 WeakPolarHBondContact CA-O 3.43Å; D270-K273 PolarHBondContact N-O 2.84Å; D270-K273 WeakPolarHBondContact OD1-CG 3.48Å; D270-K273 PolarHBondContact OD1-N 2.83Å; D270-K273 IonicContact OD1-NZ 2.77Å; D270-K273 PolarHBondContact OD1-NZ 3.1Å; D270-K273 WeakPolarHBondContact OD2-CE 3.3Å; D270-K273 IonicContact OD2-NZ 3.97Å; D270-K273 PolarHBondContact OD2-NZ 2.76Å; K273-I285 HydrophobicContact CB-CG2 4.21Å; K273-W286 CarbonylContact C-O 3.57Å; K273-W286 VanDerWaalsContact CA-O 3.22Å; K273-W286 WeakPolarHBondContact CA-O 3.3Å; K273-W286 WeakPolarHBondContact CB-O 3.45Å
274I98.2Very high96.6Very high0 Ų030.8 Ų30.80%015%0.146CC..EExtended strand (participates in β ladder)trans-117.6122.6171.1-53169.5000107.5I254 I285 W286 K288 I527 I535 I537I254-I274 HydrophobicContact CD1-CD1 4.1Å; I274-I285 WeakPolarHBondContact O-CA 3.27Å; I274-W286 HydrophobicContact CB-CB 4.27Å; I274-W286 PolarHBondContact N-O 3.44Å; I274-W286 PolarHBondContact O-N 2.76Å; I274-K288 HydrophobicContact CD1-CD 3.76Å; I274-K288 HydrophobicContact CG1-CD 3.87Å; I274-I527 HydrophobicContact CD1-CD1 3.87Å; I274-I527 HydrophobicContact CD1-CG2 4.46Å; I274-I527 HydrophobicContact CG1-CD1 4.12Å; I274-I535 HydrophobicContact CG2-CD1 4.48Å; I274-I537 HydrophobicContact CD1-CD1 3.91Å; I274-I537 HydrophobicContact CD1-CG1 4.39Å
275I98.3Very high96.6Very high0 Ų031.1 Ų31.10%015%0.148CC..EExtended strand (participates in β ladder)trans-104.6127.6175.1-60.5173.5000108.1L267 Q268 I283 I285 L307 Y309 I314 V328L267-I275 CarbonylContact C-O 3.55Å; L267-I275 VanDerWaalsContact CA-O 3.25Å; L267-I275 WeakPolarHBondContact CA-O 3.17Å; Q268-I275 PolarHBondContact N-O 2.83Å; Q268-I275 PolarHBondContact O-N 3.36Å; I275-I283 HydrophobicContact CG2-CG2 3.69Å; I275-I285 HydrophobicContact CG1-CD1 4.5Å; I275-I285 HydrophobicContact CG1-CG1 4.16Å; I275-I285 HydrophobicContact CG1-CG2 4.13Å; I275-L307 HydrophobicContact CB-CD1 4.48Å; I275-L307 HydrophobicContact CG2-CD1 4.17Å; I275-L307 HydrophobicContact CG2-CD2 4.02Å; I275-Y309 HydrophobicContact CB-CD1 4.25Å; I275-Y309 HydrophobicContact CB-CE1 4.33Å; I275-Y309 HydrophobicContact CD1-CD1 3.58Å; I275-Y309 HydrophobicContact CD1-CD2 4.05Å; I275-Y309 HydrophobicContact CD1-CE1 3.85Å; I275-Y309 HydrophobicContact CD1-CE2 4.32Å; I275-Y309 HydrophobicContact CD1-CG 3.68Å; I275-Y309 HydrophobicContact CG1-CD1 4.29Å; I275-Y309 HydrophobicContact CG1-CE1 4.24Å; I275-I314 HydrophobicContact CD1-CD1 3.81Å; I275-I314 HydrophobicContact CD1-CG1 4.06Å; I275-I314 HydrophobicContact CG2-CD1 4.47Å; I275-I314 HydrophobicContact CG2-CG2 4.45Å; I275-V328 HydrophobicContact CD1-CG2 4.34Å
276S97.9Very high96.6Very high0 Ų029.7 Ų29.70%014%0.142CC..EExtended strand (participates in β ladder)trans-129.3136.5-173.860.60000111.7C266 L278 I283 K284 W286C266-S276 WeakPolarHBondContact O-CA 3.47Å; S276-L278 WeakPolarHBondContact O-CD1 3.32Å; S276-L278 WeakPolarHBondContact OG-CD1 3.26Å; S276-I283 CarbonylContact O-C 3.54Å; S276-I283 VanDerWaalsContact O-CA 3.29Å; S276-I283 WeakPolarHBondContact O-CA 3.47Å; S276-I283 WeakPolarHBondContact O-CG2 3.29Å; S276-K284 PolarHBondContact N-O 3.11Å; S276-K284 PolarHBondContact O-N 2.82Å; S276-K284 PolarHBondContact OG-O 2.87Å; S276-W286 PolarHBondContact OG-NE1 2.85Å
277G97.6Very high96.6Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-104119.6175.400000110.7Y265 C266Y265-G277 PolarHBondContact N-O 3.08Å; C266-G277 PolarHBondContact O-N 2.77Å
278L96.9Very high96.4Very high0 Ų032.4 Ų32.40%016%0.155CC..EExtended strand (participates in β ladder)trans-103.1162-169.4-73.277.8000112C256 V264 S276 D280 S282 K284 V304C256-L278 HydrophobicContact CB-CD2 4.03Å; V264-L278 HydrophobicContact CG2-CG 4.33Å; S276-L278 WeakPolarHBondContact O-CD1 3.32Å; S276-L278 WeakPolarHBondContact OG-CD1 3.26Å; L278-D280 VanDerWaalsContact C-N 3.27Å; L278-D280 WeakPolarHBondContact CB-OD1 3.25Å; L278-D280 PolarHBondContact O-N 3.4Å; L278-S282 PolarHBondContact N-O 2.89Å; L278-K284 HydrophobicContact CD1-CB 3.92Å; L278-K284 HydrophobicContact CD1-CD 4.31Å; L278-K284 HydrophobicContact CD1-CG 3.85Å; L278-K284 HydrophobicContact CD2-CD 3.79Å; L278-K284 HydrophobicContact CD2-CG 4.15Å; L278-V304 PolarHBondContact O-N 2.92Å; L278-V304 VanDerWaalsContact O-N 3.14Å
279R96.1Very high96.1Very high90 Ų9036.1 Ų36.134%0.3418%0.181SC..THydrogen-bonded Turntrans-72.6-20.1175.8-167.8171.7-178.9-141.5-6.5113.3K262 G263 Y265 N281 S303K262-R279 WeakPolarHBondContact O-CD 3.19Å; G263-R279 WeakPolarHBondContact O-CB 3.27Å; G263-R279 PolarHBondContact O-N 2.91Å; Y265-R279 HydrophobicContact CD2-CB 4.3Å; Y265-R279 HydrophobicContact CE2-CB 3.84Å; Y265-R279 HydrophobicContact CE2-CG 3.72Å; R279-N281 PolarHBondContact O-N 3.05Å; R279-N281 PolarHBondContact O-OD1 2.9Å; R279-S303 WeakPolarHBondContact CG-OG 3.47Å; R279-S303 PolarHBondContact O-OG 3.48Å
280D94.3Very high96Very high46 Ų4638.7 Ų38.725%0.24620%0.201CC..THydrogen-bonded Turntrans-77.211.4175.471.4-0.2000114.4L278 S282L278-D280 VanDerWaalsContact C-N 3.27Å; L278-D280 WeakPolarHBondContact CB-OD1 3.25Å; L278-D280 PolarHBondContact O-N 3.4Å; D280-S282 VanDerWaalsContact CG-OG 3.3Å; D280-S282 PolarHBondContact O-N 2.81Å; D280-S282 VanDerWaalsContact OD1-CB 3.27Å; D280-S282 WeakPolarHBondContact OD1-CB 3.45Å; D280-S282 PolarHBondContact OD1-N 2.88Å; D280-S282 PolarHBondContact OD1-OG 2.68Å; D280-S282 PolarHBondContact OD2-OG 3.43Å
281N95.7Very high95.9Very high51 Ų5138.4 Ų38.427%0.27320%0.199SC..SBendtrans74.50.6-179-42.8-18.5000114.5R279 T301 G302 S303R279-N281 PolarHBondContact O-N 3.05Å; R279-N281 PolarHBondContact O-OD1 2.9Å; N281-T301 PolarHBondContact ND2-O 2.8Å; N281-G302 WeakPolarHBondContact CB-O 3.4Å; N281-G302 WeakPolarHBondContact OD1-CA 3.32Å; N281-G302 PolarHBondContact OD1-O 3.21Å; N281-S303 WeakPolarHBondContact OD1-CA 3.44Å; N281-S303 PolarHBondContact OD1-N 2.78Å
282S95.8Very high96.1Very high6 Ų639.9 Ų39.94%0.04220%0.202CC..  trans-92.6159.517876.70000112.8L278 D280 L297L278-S282 PolarHBondContact N-O 2.89Å; D280-S282 VanDerWaalsContact CG-OG 3.3Å; D280-S282 PolarHBondContact O-N 2.81Å; D280-S282 VanDerWaalsContact OD1-CB 3.27Å; D280-S282 WeakPolarHBondContact OD1-CB 3.45Å; D280-S282 PolarHBondContact OD1-N 2.88Å; D280-S282 PolarHBondContact OD1-OG 2.68Å; D280-S282 PolarHBondContact OD2-OG 3.43Å; S282-L297 WeakPolarHBondContact CA-O 3.39Å
283I97.8Very high96.1Very high1 Ų135.8 Ų35.81%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-112.2123.9166-54.7158.3000106.4I275 S276 V296 L297 V304 T316 W326I275-I283 HydrophobicContact CG2-CG2 3.69Å; S276-I283 CarbonylContact O-C 3.54Å; S276-I283 VanDerWaalsContact O-CA 3.29Å; S276-I283 WeakPolarHBondContact O-CA 3.47Å; S276-I283 WeakPolarHBondContact O-CG2 3.29Å; I283-V296 CarbonylContact O-C 3.52Å; I283-V296 WeakPolarHBondContact O-CA 3.31Å; I283-L297 HydrophobicContact CB-CB 4.11Å; I283-L297 HydrophobicContact CB-CD1 4.43Å; I283-L297 HydrophobicContact CB-CG 4.42Å; I283-L297 HydrophobicContact CD1-CB 4.42Å; I283-L297 HydrophobicContact CD1-CD1 4.45Å; I283-L297 HydrophobicContact CG2-CD1 4.43Å; I283-L297 PolarHBondContact N-O 2.94Å; I283-L297 PolarHBondContact O-N 3.11Å; I283-V304 HydrophobicContact CG1-CG1 4.31Å; I283-V304 HydrophobicContact CG1-CG2 4.02Å; I283-T316 HydrophobicContact CD1-CG2 3.43Å; I283-T316 VanDerWaalsContact CD1-CG2 3.43Å; I283-T316 HydrophobicContact CG1-CG2 4.19Å; I283-W326 HydrophobicContact CD1-CD2 4.33Å; I283-W326 HydrophobicContact CD1-CZ2 3.91Å
284K97Very high96.1Very high23 Ų2338.6 Ų38.610%0.121%0.205CC..EExtended strand (participates in β ladder)trans-109131.3176.6-64-170.2-177.6-178.70110.5C256 S276 L278 W286 K295 V296C256-K284 PolarHBondContact O-NZ 3.11Å; S276-K284 PolarHBondContact N-O 3.11Å; S276-K284 PolarHBondContact O-N 2.82Å; S276-K284 PolarHBondContact OG-O 2.87Å; L278-K284 HydrophobicContact CD1-CB 3.92Å; L278-K284 HydrophobicContact CD1-CD 4.31Å; L278-K284 HydrophobicContact CD1-CG 3.85Å; L278-K284 HydrophobicContact CD2-CD 3.79Å; L278-K284 HydrophobicContact CD2-CG 4.15Å; K284-W286 HydrophobicContact CB-CZ2 3.79Å; K284-W286 HydrophobicContact CD-CH2 4.06Å; K284-W286 HydrophobicContact CD-CZ2 3.6Å; K284-W286 HydrophobicContact CG-CZ2 4.32Å; K284-K295 WeakPolarHBondContact CA-O 3.34Å; K284-V296 HydrophobicContact CG-CG1 4.32Å; K284-V296 HydrophobicContact CG-CG2 4.21Å
285I97.4Very high95.9Very high7 Ų742.4 Ų42.44%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-105123.6175.1-50-173.8000107.7K273 I274 I275 L294 K295 L297 I314K273-I285 HydrophobicContact CB-CG2 4.21Å; I274-I285 WeakPolarHBondContact O-CA 3.27Å; I275-I285 HydrophobicContact CG1-CD1 4.5Å; I275-I285 HydrophobicContact CG1-CG1 4.16Å; I275-I285 HydrophobicContact CG1-CG2 4.13Å; I285-L294 PolarHBondContact O-N 2.95Å; I285-K295 HydrophobicContact CB-CB 4.27Å; I285-K295 HydrophobicContact CD1-CB 4.24Å; I285-K295 HydrophobicContact CG1-CB 4.31Å; I285-K295 PolarHBondContact N-O 3.26Å; I285-K295 PolarHBondContact O-N 2.95Å; I285-L297 HydrophobicContact CD1-CD1 4.42Å; I285-I314 HydrophobicContact CD1-CD1 4.12Å
286W97.4Very high95.8Very high14 Ų1446 Ų465%0.05324%0.243CC..EExtended strand (participates in β ladder)trans-113.1142.7-178-48.387.4000109.9I254 C256 K273 I274 S276 K284 E292 C293I254-W286 HydrophobicContact CD1-CB 4.42Å; I254-W286 HydrophobicContact CD1-CG 4.45Å; I254-W286 HydrophobicContact CG2-CD2 3.96Å; I254-W286 HydrophobicContact CG2-CE3 3.59Å; I254-W286 HydrophobicContact CG2-CH2 4Å; I254-W286 HydrophobicContact CG2-CZ2 4.31Å; I254-W286 HydrophobicContact CG2-CZ3 3.6Å; C256-W286 HydrophobicContact CB-CH2 4.48Å; C256-W286 HydrophobicContact CB-CZ2 4.09Å; K273-W286 CarbonylContact C-O 3.57Å; K273-W286 VanDerWaalsContact CA-O 3.22Å; K273-W286 WeakPolarHBondContact CA-O 3.3Å; K273-W286 WeakPolarHBondContact CB-O 3.45Å; I274-W286 HydrophobicContact CB-CB 4.27Å; I274-W286 PolarHBondContact N-O 3.44Å; I274-W286 PolarHBondContact O-N 2.76Å; S276-W286 PolarHBondContact OG-NE1 2.85Å; K284-W286 HydrophobicContact CB-CZ2 3.79Å; K284-W286 HydrophobicContact CD-CH2 4.06Å; K284-W286 HydrophobicContact CD-CZ2 3.6Å; K284-W286 HydrophobicContact CG-CZ2 4.32Å; W286-E292 WeakPolarHBondContact CA-O 3.38Å; W286-C293 HydrophobicContact CD2-CB 4.5Å; W286-C293 HydrophobicContact CE3-CB 3.74Å; W286-C293 HydrophobicContact CH2-CB 4.13Å; W286-C293 HydrophobicContact CZ3-CB 3.54Å
287D96.7Very high95.7Very high43 Ų4346.5 Ų46.523%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-73.3131168.6-177.8-86000109.9T289 S290 L291 E292 L294D287-T289 VanDerWaalsContact C-N 3.29Å; D287-T289 PolarHBondContact O-N 2.96Å; D287-T289 PolarHBondContact OD1-N 2.95Å; D287-S290 VanDerWaalsContact CB-OG 3.23Å; D287-S290 WeakPolarHBondContact CB-OG 3.41Å; D287-S290 PolarHBondContact OD1-N 3.43Å; D287-S290 PolarHBondContact OD1-OG 2.95Å; D287-L291 WeakPolarHBondContact O-CA 3.41Å; D287-L291 PolarHBondContact O-N 2.62Å; D287-E292 PolarHBondContact N-O 3.27Å; D287-L294 HydrophobicContact CB-CD1 3.96Å; D287-L294 HydrophobicContact CB-CD2 4.04Å; D287-L294 HydrophobicContact CB-CG 3.95Å
288K93.8Very high95.7Very high25 Ų2551.4 Ų51.411%0.10928%0.276CS..THydrogen-bonded Turntrans-71.3-23.9-173.8-179.658178.966.20113.4E272 I274 L291 I527 I537E272-K288 VanDerWaalsContact C-CB 3.47Å; E272-K288 VanDerWaalsContact O-CB 3.27Å; E272-K288 WeakPolarHBondContact O-CB 3.27Å; E272-K288 PolarHBondContact O-N 3.26Å; I274-K288 HydrophobicContact CD1-CD 3.76Å; I274-K288 HydrophobicContact CG1-CD 3.87Å; K288-L291 WeakPolarHBondContact O-CD2 3.44Å; K288-I527 HydrophobicContact CD-CD1 4.14Å; K288-I537 HydrophobicContact CD-CD1 4.4Å
289T92.7Very high95.5Very high121 Ų12153 Ų5374%0.74229%0.292SS*.THydrogen-bonded Turntrans-94.3-51.3-174.4-58.10000111.3D287D287-T289 VanDerWaalsContact C-N 3.29Å; D287-T289 PolarHBondContact O-N 2.96Å; D287-T289 PolarHBondContact OD1-N 2.95Å
290S94.3Very high95.6Very high66 Ų6649.2 Ų49.246%0.46228%0.278SS..THydrogen-bonded Turntrans-83.3-20.7-179.761.50000113.3D287 E292D287-S290 VanDerWaalsContact CB-OG 3.23Å; D287-S290 WeakPolarHBondContact CB-OG 3.41Å; D287-S290 PolarHBondContact OD1-N 3.43Å; D287-S290 PolarHBondContact OD1-OG 2.95Å; S290-E292 PolarHBondContact O-N 3.08Å
291L94.9Very high95.7Very high36 Ų3652.2 Ų52.219%0.18830%0.298CS..  trans64.814.4-176.8-47.2-178.5000114.3Q252 I254 D287 K288 I537Q252-L291 HydrophobicContact CB-CD1 3.85Å; Q252-L291 HydrophobicContact CG-CD1 4.44Å; I254-L291 HydrophobicContact CD1-CB 4.16Å; I254-L291 HydrophobicContact CD1-CD2 3.97Å; I254-L291 HydrophobicContact CG1-CB 4.12Å; I254-L291 HydrophobicContact CG1-CD1 4.37Å; I254-L291 HydrophobicContact CG1-CD2 4.32Å; D287-L291 WeakPolarHBondContact O-CA 3.41Å; D287-L291 PolarHBondContact O-N 2.62Å; K288-L291 WeakPolarHBondContact O-CD2 3.44Å; L291-I537 HydrophobicContact CD2-CD1 3.5Å; L291-I537 VanDerWaalsContact CD2-CD1 3.5Å
292E94.8Very high95.7Very high132 Ų13250.4 Ų50.462%0.61729%0.291SS*.  trans-81.9150.4177.2-67.9-64.4164.800111.6W286 D287 S290 L294W286-E292 WeakPolarHBondContact CA-O 3.38Å; D287-E292 PolarHBondContact N-O 3.27Å; S290-E292 PolarHBondContact O-N 3.08Å; E292-L294 PolarHBondContact O-N 3.45Å
293C95.2Very high95.8Very high50 Ų5051 Ų5134%0.33830%0.296SS..EExtended strand (participates in β ladder)trans-77.9112.1176.7-174.10000110W286W286-C293 HydrophobicContact CD2-CB 4.5Å; W286-C293 HydrophobicContact CE3-CB 3.74Å; W286-C293 HydrophobicContact CH2-CB 4.13Å; W286-C293 HydrophobicContact CZ3-CB 3.54Å
294L94.7Very high95.8Very high100 Ų10051 Ų5152%0.52430%0.295SS..EExtended strand (participates in β ladder)trans-79.4-47.5179.3-63.2177.7000112.1I285 D287 E292I285-L294 PolarHBondContact O-N 2.95Å; D287-L294 HydrophobicContact CB-CD1 3.96Å; D287-L294 HydrophobicContact CB-CD2 4.04Å; D287-L294 HydrophobicContact CB-CG 3.95Å; E292-L294 PolarHBondContact O-N 3.45Å
295K94.8Very high95.8Very high79 Ų7951.1 Ų51.134%0.34330%0.297SS..EExtended strand (participates in β ladder)trans-144.2148.2-174.6-66-169.7173.7-168.30111.9K284 I285 L297 N329 T330K284-K295 WeakPolarHBondContact CA-O 3.34Å; I285-K295 HydrophobicContact CB-CB 4.27Å; I285-K295 HydrophobicContact CD1-CB 4.24Å; I285-K295 HydrophobicContact CG1-CB 4.31Å; I285-K295 PolarHBondContact N-O 3.26Å; I285-K295 PolarHBondContact O-N 2.95Å; K295-L297 HydrophobicContact CB-CD2 4.41Å; K295-N329 PolarHBondContact NZ-O 3.19Å; K295-T330 PolarHBondContact NZ-O 2.95Å
296V96.3Very high95.9Very high75 Ų7551.1 Ų51.146%0.45530%0.298SS..EExtended strand (participates in β ladder)trans-123.3108.9171.1-173.90000107.9I283 K284 T298I283-V296 CarbonylContact O-C 3.52Å; I283-V296 WeakPolarHBondContact O-CA 3.31Å; K284-V296 HydrophobicContact CG-CG1 4.32Å; K284-V296 HydrophobicContact CG-CG2 4.21Å; V296-T298 HydrophobicContact CG1-CG2 4.17Å
297L96.3Very high95.9Very high12 Ų1251.2 Ų51.26%0.06330%0.299CS..EExtended strand (participates in β ladder)trans-89.8127.6176.8-42.5-179.4000108.7S282 I283 I285 K295 I314 W326S282-L297 WeakPolarHBondContact CA-O 3.39Å; I283-L297 HydrophobicContact CB-CB 4.11Å; I283-L297 HydrophobicContact CB-CD1 4.43Å; I283-L297 HydrophobicContact CB-CG 4.42Å; I283-L297 HydrophobicContact CD1-CB 4.42Å; I283-L297 HydrophobicContact CD1-CD1 4.45Å; I283-L297 HydrophobicContact CG2-CD1 4.43Å; I283-L297 PolarHBondContact N-O 2.94Å; I283-L297 PolarHBondContact O-N 3.11Å; I285-L297 HydrophobicContact CD1-CD1 4.42Å; K295-L297 HydrophobicContact CB-CD2 4.41Å; L297-I314 HydrophobicContact CD1-CD1 4.04Å; L297-W326 HydrophobicContact CB-CE3 4.08Å; L297-W326 HydrophobicContact CB-CZ3 3.96Å; L297-W326 HydrophobicContact CD1-CB 4.44Å; L297-W326 HydrophobicContact CD1-CD2 4.31Å; L297-W326 HydrophobicContact CD1-CE3 4.17Å; L297-W326 HydrophobicContact CD1-CG 4.44Å
298T95.9Very high96Very high103 Ų10350.7 Ų50.763%0.63230%0.296SS*.  trans-124.1150.5179.163.20000110V296 W326V296-T298 HydrophobicContact CG1-CG2 4.17Å; T298-W326 WeakPolarHBondContact O-CH2 3.49Å
299G94.3Very high96.2Very high32 Ų3250.3 Ų50.333%0.3329%0.294SS..  trans156.3-33.9176.300000112.8R324G299-R324 VanDerWaalsContact CA-NH1 3.26Å; G299-R324 PolarHBondContact O-NH1 3.42Å; G299-R324 PolarHBondContact O-NH2 2.79Å
300H97.1Very high96.3Very high11 Ų1147.6 Ų47.65%0.05127%0.274CS..  trans-59.4145171-85-63.3000110.9V304 T316 S318 D320 W326H300-V304 HydrophobicContact CB-CG2 4.39Å; H300-T316 PolarHBondContact NE2-OG1 3.24Å; H300-S318 VanDerWaalsContact CE1-CB 3.45Å; H300-S318 WeakPolarHBondContact CE1-CB 3.46Å; H300-S318 WeakPolarHBondContact ND1-CB 3.36Å; H300-D320 IonicContact CG-OD2 3.72Å; H300-D320 IonicContact ND1-OD1 3.58Å; H300-D320 IonicContact ND1-OD2 3Å; H300-D320 PolarHBondContact ND1-OD2 3.29Å; H300-W326 AromaticContact CD2-CZ2 3.8Å
301T96.4Very high96.2Very high110 Ų11053 Ų5368%0.67529%0.292SS*.SBendtrans-100.5-4.8-179.259.40000112.6N281 D320N281-T301 PolarHBondContact ND2-O 2.8Å; T301-D320 PolarHBondContact N-OD2 3.34Å; T301-D320 WeakPolarHBondContact OG1-CB 3.41Å; T301-D320 PolarHBondContact OG1-OD2 2.99Å
302G96.3Very high96.2Very high12 Ų1260.2 Ų60.212%0.12432%0.317CS..SBendtrans-139.1174.1173.300000111.9N281 V304 S318N281-G302 WeakPolarHBondContact CB-O 3.4Å; N281-G302 WeakPolarHBondContact OD1-CA 3.32Å; N281-G302 PolarHBondContact OD1-O 3.21Å; G302-V304 PolarHBondContact O-N 2.89Å; G302-S318 PolarHBondContact O-OG 2.94Å
303S96.8Very high96.3Very high19 Ų1954.3 Ų54.313%0.13329%0.29CS..  trans-59.3137.2-175.4-55.30000111.7R279 N281 L305 S318 S319R279-S303 WeakPolarHBondContact CG-OG 3.47Å; R279-S303 PolarHBondContact O-OG 3.48Å; N281-S303 WeakPolarHBondContact OD1-CA 3.44Å; N281-S303 PolarHBondContact OD1-N 2.78Å; S303-L305 PolarHBondContact O-N 2.82Å; S303-S318 WeakPolarHBondContact O-CA 3.49Å; S303-S318 PolarHBondContact O-OG 3.47Å; S303-S318 VanDerWaalsContact O-OG 3.13Å; S303-S319 PolarHBondContact O-N 3.03Å; S303-S319 PolarHBondContact O-OG 2.96Å
304V98.1Very high96.4Very high0 Ų051.9 Ų51.90%027%0.274CS..EExtended strand (participates in β ladder)trans-79.1110.8177.9-1770000108.5Y265 L278 I283 H300 G302 T316Y265-V304 WeakPolarHBondContact CB-O 3.37Å; L278-V304 PolarHBondContact O-N 2.92Å; L278-V304 VanDerWaalsContact O-N 3.14Å; I283-V304 HydrophobicContact CG1-CG1 4.31Å; I283-V304 HydrophobicContact CG1-CG2 4.02Å; H300-V304 HydrophobicContact CB-CG2 4.39Å; G302-V304 PolarHBondContact O-N 2.89Å; V304-T316 HydrophobicContact CG1-CG2 4.23Å
305L98.1Very high96.6Very high26 Ų2647.1 Ų47.114%0.13625%0.249CC..EExtended strand (participates in β ladder)trans-94-34-170.2-62.5-177.8000112.8Y265 S303 G317 S319 A343 L345Y265-L305 HydrophobicContact CD1-CD2 4.43Å; Y265-L305 HydrophobicContact CD2-CD2 3.78Å; Y265-L305 HydrophobicContact CE2-CD2 3.84Å; Y265-L305 HydrophobicContact CG-CD2 4.09Å; S303-L305 PolarHBondContact O-N 2.82Å; L305-G317 PolarHBondContact N-O 3.19Å; L305-S319 WeakPolarHBondContact CD1-OG 3.14Å; L305-S319 WeakPolarHBondContact CG-OG 3.38Å; L305-A343 HydrophobicContact CD1-CB 4.03Å; L305-L345 HydrophobicContact CD1-CD2 3.73Å
306C98.1Very high96.8Very high7 Ų743.4 Ų43.45%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-142.9149.4178.658.60000110.8C266 T316 G317 H346C266-C306 VanDerWaalsContact SG-C 3.52Å; C266-C306 VanDerWaalsContact SG-CA 3.54Å; C306-T316 WeakPolarHBondContact O-CA 3.4Å; C306-G317 PolarHBondContact N-O 3.26Å; C306-G317 PolarHBondContact O-N 2.96Å; C306-H346 VanDerWaalsContact SG-C 3.58Å; C306-H346 WeakPolarHBondContact SG-CA 2.85Å
307L98.4Very high96.9Very high16 Ų1639.8 Ų39.88%0.08421%0.211CC..EExtended strand (participates in β ladder)trans-146.3151.6172.270.187.5000109.7C266 Q268 I275 V315 T316C266-L307 HydrophobicContact CB-CD2 4.48Å; C266-L307 HydrophobicContact CB-CG 4.25Å; C266-L307 VanDerWaalsContact SG-CD2 3.59Å; Q268-L307 HydrophobicContact CB-CD1 3.84Å; I275-L307 HydrophobicContact CB-CD1 4.48Å; I275-L307 HydrophobicContact CG2-CD1 4.17Å; I275-L307 HydrophobicContact CG2-CD2 4.02Å; L307-V315 CarbonylContact C-O 3.54Å; L307-V315 VanDerWaalsContact CA-O 3.25Å; L307-V315 WeakPolarHBondContact CA-O 3.18Å; L307-T316 HydrophobicContact CB-CG2 3.77Å
308Q98.5Very high97Very high33 Ų3339.2 Ų39.215%0.15421%0.208CC..EExtended strand (participates in β ladder)trans-141146.2161.3-174.1-178.5-10.800107.6Q268 V315 L347 F349Q268-Q308 VanDerWaalsContact OE1-CA 3.22Å; Q308-V315 PolarHBondContact N-O 3.24Å; Q308-V315 PolarHBondContact O-N 2.93Å; Q308-L347 HydrophobicContact CB-CD1 3.98Å; Q308-F349 HydrophobicContact CB-CD1 4.01Å; Q308-F349 HydrophobicContact CB-CE1 3.72Å; Q308-F349 HydrophobicContact CG-CD1 4.09Å; Q308-F349 HydrophobicContact CG-CE1 3.72Å; Q308-F349 HydrophobicContact CG-CZ 4.43Å; Q308-F349 PolarHBondContact NE2-O 2.87Å; Q308-F349 WeakPolarHBondContact O-CE1 3.45Å; Q308-F349 PolarHBondContact OE1-O 3.44Å
309Y97.7Very high97.1Very high17 Ų1736.7 Ų36.77%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-131.3156.2172.176.7-89.4000111.8Q268 D270 I275 V313 V328Q268-Y309 HydrophobicContact CB-CD1 3.76Å; Q268-Y309 HydrophobicContact CB-CE1 3.55Å; Q268-Y309 VanDerWaalsContact CD-CE1 3.41Å; Q268-Y309 HydrophobicContact CG-CD1 3.72Å; Q268-Y309 HydrophobicContact CG-CE1 3.35Å; Q268-Y309 PolarHBondContact NE2-O 2.91Å; D270-Y309 WeakPolarHBondContact CB-OH 3.23Å; D270-Y309 PolarHBondContact N-OH 3.13Å; D270-Y309 WeakPolarHBondContact OD2-CE2 3.23Å; D270-Y309 PolarHBondContact OD2-OH 3.41Å; I275-Y309 HydrophobicContact CB-CD1 4.25Å; I275-Y309 HydrophobicContact CB-CE1 4.33Å; I275-Y309 HydrophobicContact CD1-CD1 3.58Å; I275-Y309 HydrophobicContact CD1-CD2 4.05Å; I275-Y309 HydrophobicContact CD1-CE1 3.85Å; I275-Y309 HydrophobicContact CD1-CE2 4.32Å; I275-Y309 HydrophobicContact CD1-CG 3.68Å; I275-Y309 HydrophobicContact CG1-CD1 4.29Å; I275-Y309 HydrophobicContact CG1-CE1 4.24Å; Y309-V313 VanDerWaalsContact CA-O 3.23Å; Y309-V313 WeakPolarHBondContact CA-O 3.37Å; Y309-V313 WeakPolarHBondContact CB-O 3.13Å; Y309-V328 HydrophobicContact CD2-CG2 4.44Å
310D95.9Very high97.2Very high64 Ų6436.5 Ų36.534%0.34219%0.186SC..  trans-124.8-169.1166.7723.4000109.9R312 V313 F349D310-R312 PolarHBondContact O-N 3.1Å; D310-R312 VanDerWaalsContact O-N 3.09Å; D310-R312 WeakPolarHBondContact OD1-CA 3.43Å; D310-R312 PolarHBondContact OD1-N 2.99Å; D310-V313 PolarHBondContact N-O 2.97Å; D310-V313 WeakPolarHBondContact OD1-CG2 3.46Å; D310-V313 PolarHBondContact OD1-N 3.39Å; D310-F349 HydrophobicContact CB-CE2 4.01Å; D310-F349 HydrophobicContact CB-CZ 4.03Å; D310-F349 WeakPolarHBondContact OD2-CE2 3.4Å
311E92.5Very high97.3Very high178 Ų17837.3 Ų37.383%0.83219%0.192SC*.SBendtrans-63-12.7179.9-62.4177.2-177.900114.3V328E311-V328 WeakPolarHBondContact O-CG1 3.19Å
312R93.3Very high97.3Very high188 Ų18833 Ų3371%0.70917%0.166SC*.SBendtrans-116.1-45.8-172.6-61179.3-178.5179.10.5112.4D310 V328D310-R312 PolarHBondContact O-N 3.1Å; D310-R312 VanDerWaalsContact O-N 3.09Å; D310-R312 WeakPolarHBondContact OD1-CA 3.43Å; D310-R312 PolarHBondContact OD1-N 2.99Å; R312-V328 WeakPolarHBondContact O-CG1 3.23Å; R312-V328 PolarHBondContact O-N 2.82Å; R312-V328 VanDerWaalsContact O-N 3.12Å
313V97.1Very high97.5Very high8 Ų832.5 Ų32.55%0.04816%0.161CC..EExtended strand (participates in β ladder)trans-134.2151.4-168.3-62.20000112.9Y309 D310 V315 V325 W326 L334 F349 M368 A371Y309-V313 VanDerWaalsContact CA-O 3.23Å; Y309-V313 WeakPolarHBondContact CA-O 3.37Å; Y309-V313 WeakPolarHBondContact CB-O 3.13Å; D310-V313 PolarHBondContact N-O 2.97Å; D310-V313 WeakPolarHBondContact OD1-CG2 3.46Å; D310-V313 PolarHBondContact OD1-N 3.39Å; V313-V315 HydrophobicContact CG2-CG2 4.14Å; V313-V325 HydrophobicContact CB-CG1 3.91Å; V313-V325 HydrophobicContact CG1-CG1 3.92Å; V313-V325 HydrophobicContact CG2-CG1 4.44Å; V313-W326 CarbonylContact C-O 3.5Å; V313-W326 WeakPolarHBondContact CA-O 3.36Å; V313-W326 WeakPolarHBondContact CB-O 3.23Å; V313-L334 HydrophobicContact CG1-CD1 3.99Å; V313-F349 HydrophobicContact CG2-CE2 4.38Å; V313-F349 HydrophobicContact CG2-CZ 4.18Å; V313-M368 HydrophobicContact CG2-CE 4.01Å; V313-A371 HydrophobicContact CG1-CB 3.67Å
314I98.3Very high97.5Very high0 Ų033.5 Ų33.50%016%0.161CC..EExtended strand (participates in β ladder)trans-105.7127.9164.3-52168.6000106.6I275 I285 L297 T316 V325 W326 V328I275-I314 HydrophobicContact CD1-CD1 3.81Å; I275-I314 HydrophobicContact CD1-CG1 4.06Å; I275-I314 HydrophobicContact CG2-CD1 4.47Å; I275-I314 HydrophobicContact CG2-CG2 4.45Å; I285-I314 HydrophobicContact CD1-CD1 4.12Å; L297-I314 HydrophobicContact CD1-CD1 4.04Å; I314-T316 HydrophobicContact CG2-CG2 3.87Å; I314-V325 CarbonylContact O-C 3.57Å; I314-V325 WeakPolarHBondContact O-CA 3.13Å; I314-W326 HydrophobicContact CB-CB 4.2Å; I314-W326 PolarHBondContact N-O 3.46Å; I314-W326 PolarHBondContact O-N 2.86Å; I314-V328 HydrophobicContact CD1-CB 4.47Å; I314-V328 HydrophobicContact CD1-CG2 4.2Å; I314-V328 HydrophobicContact CG1-CB 4.05Å; I314-V328 HydrophobicContact CG1-CG2 3.94Å
315V98.5Very high97.5Very high0 Ų033.5 Ų33.50%016%0.161CC..EExtended strand (participates in β ladder)trans-113.9126.3174.8-174.20000108.8L307 Q308 V313 V323 R324 V325 L347 F349 M354 M368L307-V315 CarbonylContact C-O 3.54Å; L307-V315 VanDerWaalsContact CA-O 3.25Å; L307-V315 WeakPolarHBondContact CA-O 3.18Å; Q308-V315 PolarHBondContact N-O 3.24Å; Q308-V315 PolarHBondContact O-N 2.93Å; V313-V315 HydrophobicContact CG2-CG2 4.14Å; V315-V323 HydrophobicContact CG1-CG1 3.6Å; V315-R324 CarbonylContact C-O 3.54Å; V315-R324 WeakPolarHBondContact CA-O 3.39Å; V315-V325 HydrophobicContact CG2-CG1 4.42Å; V315-V325 HydrophobicContact CG2-CG2 4.33Å; V315-L347 HydrophobicContact CB-CD1 4.17Å; V315-L347 HydrophobicContact CG1-CD1 4Å; V315-L347 HydrophobicContact CG1-CD2 3.89Å; V315-F349 HydrophobicContact CB-CD1 4.09Å; V315-F349 HydrophobicContact CB-CE1 3.94Å; V315-F349 HydrophobicContact CG2-CD1 3.86Å; V315-F349 HydrophobicContact CG2-CE1 3.63Å; V315-F349 HydrophobicContact CG2-CZ 4.19Å; V315-M354 HydrophobicContact CG1-SD 3.71Å; V315-M368 HydrophobicContact CG2-CE 4.31Å
316T98.6Very high97.5Very high0 Ų032.4 Ų32.40%016%0.156CC..EExtended strand (participates in β ladder)trans-127.9139.4-17557.50000112.5I283 H300 V304 C306 L307 I314 V323 R324 W326I283-T316 HydrophobicContact CD1-CG2 3.43Å; I283-T316 VanDerWaalsContact CD1-CG2 3.43Å; I283-T316 HydrophobicContact CG1-CG2 4.19Å; H300-T316 PolarHBondContact NE2-OG1 3.24Å; V304-T316 HydrophobicContact CG1-CG2 4.23Å; C306-T316 WeakPolarHBondContact O-CA 3.4Å; L307-T316 HydrophobicContact CB-CG2 3.77Å; I314-T316 HydrophobicContact CG2-CG2 3.87Å; T316-V323 CarbonylContact O-C 3.58Å; T316-V323 VanDerWaalsContact O-CA 3.23Å; T316-V323 WeakPolarHBondContact O-CA 3.46Å; T316-R324 PolarHBondContact N-O 3.28Å; T316-R324 PolarHBondContact O-N 3.29Å; T316-W326 PolarHBondContact OG1-NE1 2.59Å
317G98.4Very high97.5Very high0 Ų033.6 Ų33.60%016%0.161CC..EExtended strand (participates in β ladder)trans-112.913517200000110.6L305 C306L305-G317 PolarHBondContact N-O 3.19Å; C306-G317 PolarHBondContact N-O 3.26Å; C306-G317 PolarHBondContact O-N 2.96Å
318S98.4Very high97.3Very high0 Ų033.4 Ų33.40%016%0.161CC..EExtended strand (participates in β ladder)trans-124164.3-172.9172.50000113.2H300 G302 S303 D320 S321 T322 V344H300-S318 VanDerWaalsContact CE1-CB 3.45Å; H300-S318 WeakPolarHBondContact CE1-CB 3.46Å; H300-S318 WeakPolarHBondContact ND1-CB 3.36Å; G302-S318 PolarHBondContact O-OG 2.94Å; S303-S318 WeakPolarHBondContact O-CA 3.49Å; S303-S318 PolarHBondContact O-OG 3.47Å; S303-S318 VanDerWaalsContact O-OG 3.13Å; S318-D320 VanDerWaalsContact CB-OD1 3.28Å; S318-D320 WeakPolarHBondContact CB-OD1 3.32Å; S318-D320 PolarHBondContact O-N 2.85Å; S318-D320 PolarHBondContact OG-N 2.94Å; S318-D320 PolarHBondContact OG-OD1 3.03Å; S318-D320 PolarHBondContact OG-OD2 3.29Å; S318-S321 PolarHBondContact O-N 2.8Å; S318-T322 PolarHBondContact N-O 3.39Å; S318-V344 PolarHBondContact O-N 2.86Å
319S97.9Very high97.1Very high49 Ų4937.3 Ų37.334%0.34318%0.183SC..THydrogen-bonded Turntrans-62.4-16.6169.1-54.60000113.1S303 L305 S321S303-S319 PolarHBondContact O-N 3.03Å; S303-S319 PolarHBondContact O-OG 2.96Å; L305-S319 WeakPolarHBondContact CD1-OG 3.14Å; L305-S319 WeakPolarHBondContact CG-OG 3.38Å; S319-S321 PolarHBondContact O-N 3.33Å
320D97.6Very high96.9Very high29 Ų2940.1 Ų40.116%0.15520%0.202CC..THydrogen-bonded Turntrans-76.14.1173.167.119.8000114.5H300 T301 S318 T322H300-D320 IonicContact CG-OD2 3.72Å; H300-D320 IonicContact ND1-OD1 3.58Å; H300-D320 IonicContact ND1-OD2 3Å; H300-D320 PolarHBondContact ND1-OD2 3.29Å; T301-D320 PolarHBondContact N-OD2 3.34Å; T301-D320 WeakPolarHBondContact OG1-CB 3.41Å; T301-D320 PolarHBondContact OG1-OD2 2.99Å; S318-D320 VanDerWaalsContact CB-OD1 3.28Å; S318-D320 WeakPolarHBondContact CB-OD1 3.32Å; S318-D320 PolarHBondContact O-N 2.85Å; S318-D320 PolarHBondContact OG-N 2.94Å; S318-D320 PolarHBondContact OG-OD1 3.03Å; S318-D320 PolarHBondContact OG-OD2 3.29Å; D320-T322 VanDerWaalsContact CG-OG1 3.29Å; D320-T322 PolarHBondContact O-N 2.79Å; D320-T322 WeakPolarHBondContact OD1-CB 3.5Å; D320-T322 PolarHBondContact OD1-N 3.34Å; D320-T322 PolarHBondContact OD1-OG1 2.97Å; D320-T322 PolarHBondContact OD2-OG1 2.8Å
321S97.7Very high96.8Very high27 Ų2737.7 Ų37.719%0.18919%0.192CC..SBendtrans70.26.1179.9-35.20000114.7S318 S319 H340 E342 A343S318-S321 PolarHBondContact O-N 2.8Å; S319-S321 PolarHBondContact O-N 3.33Å; S321-H340 WeakPolarHBondContact CB-O 3.44Å; S321-E342 VanDerWaalsContact CB-O 3.32Å; S321-E342 WeakPolarHBondContact CB-O 3.42Å; S321-E342 VanDerWaalsContact OG-CA 3.3Å; S321-E342 WeakPolarHBondContact OG-CA 3.43Å; S321-E342 PolarHBondContact OG-O 3.36Å; S321-A343 PolarHBondContact OG-N 3.21Å
322T98.1Very high96.9Very high19 Ų1934.3 Ų34.312%0.11718%0.176CC..EExtended strand (participates in β ladder)trans-98151175.8720000111.9S318 D320 T336 I338S318-T322 PolarHBondContact N-O 3.39Å; D320-T322 VanDerWaalsContact CG-OG1 3.29Å; D320-T322 PolarHBondContact O-N 2.79Å; D320-T322 WeakPolarHBondContact OD1-CB 3.5Å; D320-T322 PolarHBondContact OD1-N 3.34Å; D320-T322 PolarHBondContact OD1-OG1 2.97Å; D320-T322 PolarHBondContact OD2-OG1 2.8Å; T322-T336 HydrophobicContact CG2-CG2 4.39Å; T322-I338 HydrophobicContact CG2-CG1 4.42Å
323V98.6Very high97.1Very high3 Ų328.5 Ų28.52%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-107.7129.8162.7178.30000108V315 T316 L337 V344 L347 T356V315-V323 HydrophobicContact CG1-CG1 3.6Å; T316-V323 CarbonylContact O-C 3.58Å; T316-V323 VanDerWaalsContact O-CA 3.23Å; T316-V323 WeakPolarHBondContact O-CA 3.46Å; V323-L337 HydrophobicContact CB-CB 4.17Å; V323-L337 HydrophobicContact CB-CD1 4.24Å; V323-L337 HydrophobicContact CG1-CD1 4.2Å; V323-L337 PolarHBondContact N-O 3.37Å; V323-L337 VanDerWaalsContact N-O 3.14Å; V323-L337 PolarHBondContact O-N 2.8Å; V323-V344 HydrophobicContact CG2-CB 4.41Å; V323-V344 HydrophobicContact CG2-CG1 3.95Å; V323-V344 HydrophobicContact CG2-CG2 3.97Å; V323-L347 HydrophobicContact CG1-CD2 4.27Å; V323-T356 HydrophobicContact CG2-CG2 4.02Å
324R98.3Very high97.1Very high39 Ų3930.6 Ų30.615%0.14717%0.172CC..EExtended strand (participates in β ladder)trans-116.1144.3177.8-69.5-175.3-176.1-152.54.5111G299 V315 T316 W326 N335 T336G299-R324 VanDerWaalsContact CA-NH1 3.26Å; G299-R324 PolarHBondContact O-NH1 3.42Å; G299-R324 PolarHBondContact O-NH2 2.79Å; V315-R324 CarbonylContact C-O 3.54Å; V315-R324 WeakPolarHBondContact CA-O 3.39Å; T316-R324 PolarHBondContact N-O 3.28Å; T316-R324 PolarHBondContact O-N 3.29Å; R324-W326 HydrophobicContact CB-CZ2 4.05Å; R324-N335 WeakPolarHBondContact CA-O 3.48Å; R324-T336 HydrophobicContact CG-CG2 4.19Å
325V98.2Very high97Very high0 Ų032.3 Ų32.30%018%0.181CC..EExtended strand (participates in β ladder)trans-113125.9174.2-173.40000107.3V313 I314 V315 L334 N335 M368 A371 I374V313-V325 HydrophobicContact CB-CG1 3.91Å; V313-V325 HydrophobicContact CG1-CG1 3.92Å; V313-V325 HydrophobicContact CG2-CG1 4.44Å; I314-V325 CarbonylContact O-C 3.57Å; I314-V325 WeakPolarHBondContact O-CA 3.13Å; V315-V325 HydrophobicContact CG2-CG1 4.42Å; V315-V325 HydrophobicContact CG2-CG2 4.33Å; V325-L334 HydrophobicContact CG1-CB 4.43Å; V325-L334 PolarHBondContact O-N 3.09Å; V325-N335 HydrophobicContact CB-CB 4.03Å; V325-N335 HydrophobicContact CG2-CB 4.15Å; V325-N335 PolarHBondContact N-O 3.34Å; V325-N335 PolarHBondContact O-N 2.97Å; V325-M368 HydrophobicContact CG1-CE 4.45Å; V325-A371 HydrophobicContact CG1-CB 4.09Å; V325-I374 HydrophobicContact CG2-CD1 3.69Å
326W98.1Very high97Very high4 Ų434.9 Ų34.92%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-119.4148.5-178.6-43.373.7000109I283 L297 T298 H300 V313 I314 T316 R324 E332 V333I283-W326 HydrophobicContact CD1-CD2 4.33Å; I283-W326 HydrophobicContact CD1-CZ2 3.91Å; L297-W326 HydrophobicContact CB-CE3 4.08Å; L297-W326 HydrophobicContact CB-CZ3 3.96Å; L297-W326 HydrophobicContact CD1-CB 4.44Å; L297-W326 HydrophobicContact CD1-CD2 4.31Å; L297-W326 HydrophobicContact CD1-CE3 4.17Å; L297-W326 HydrophobicContact CD1-CG 4.44Å; T298-W326 WeakPolarHBondContact O-CH2 3.49Å; H300-W326 AromaticContact CD2-CZ2 3.8Å; V313-W326 CarbonylContact C-O 3.5Å; V313-W326 WeakPolarHBondContact CA-O 3.36Å; V313-W326 WeakPolarHBondContact CB-O 3.23Å; I314-W326 HydrophobicContact CB-CB 4.2Å; I314-W326 PolarHBondContact N-O 3.46Å; I314-W326 PolarHBondContact O-N 2.86Å; T316-W326 PolarHBondContact OG1-NE1 2.59Å; R324-W326 HydrophobicContact CB-CZ2 4.05Å; W326-E332 CarbonylContact C-O 3.57Å; W326-E332 WeakPolarHBondContact CA-O 3.4Å; W326-V333 HydrophobicContact CD2-CG2 4.12Å; W326-V333 HydrophobicContact CE3-CB 4.45Å; W326-V333 HydrophobicContact CE3-CG2 3.44Å; W326-V333 VanDerWaalsContact CE3-CG2 3.44Å; W326-V333 HydrophobicContact CH2-CG2 3.71Å; W326-V333 HydrophobicContact CZ2-CG2 4.34Å; W326-V333 HydrophobicContact CZ3-CG2 3.22Å
327D97.1Very high96.9Very high32 Ų3235.6 Ų35.617%0.17120%0.201CC..EExtended strand (participates in β ladder)trans-72.2130.6167-172.9-78000109.6N329 T330 G331 E332 L334D327-N329 VanDerWaalsContact C-N 3.28Å; D327-N329 PolarHBondContact O-N 3.32Å; D327-N329 WeakPolarHBondContact OD1-CA 3.47Å; D327-N329 WeakPolarHBondContact OD1-CB 3.29Å; D327-N329 PolarHBondContact OD1-N 3.37Å; D327-T330 VanDerWaalsContact CB-OG1 3.28Å; D327-T330 WeakPolarHBondContact CB-OG1 3.04Å; D327-T330 PolarHBondContact OD1-N 2.87Å; D327-T330 PolarHBondContact OD1-OG1 2.91Å; D327-G331 WeakPolarHBondContact O-CA 3.39Å; D327-G331 PolarHBondContact O-N 3.25Å; D327-E332 HydrophobicContact CB-CG 4.06Å; D327-E332 PolarHBondContact N-O 3Å; D327-L334 HydrophobicContact CB-CD1 3.99Å; D327-L334 HydrophobicContact CB-CD2 4.3Å; D327-L334 HydrophobicContact CB-CG 4.18Å
328V94.7Very high96.8Very high12 Ų1242.4 Ų42.47%0.07324%0.236CC..THydrogen-bonded Turntrans-68.5-28.7-176.971.30000112.7I275 Y309 E311 R312 I314I275-V328 HydrophobicContact CD1-CG2 4.34Å; Y309-V328 HydrophobicContact CD2-CG2 4.44Å; E311-V328 WeakPolarHBondContact O-CG1 3.19Å; R312-V328 WeakPolarHBondContact O-CG1 3.23Å; R312-V328 PolarHBondContact O-N 2.82Å; R312-V328 VanDerWaalsContact O-N 3.12Å; I314-V328 HydrophobicContact CD1-CB 4.47Å; I314-V328 HydrophobicContact CD1-CG2 4.2Å; I314-V328 HydrophobicContact CG1-CB 4.05Å; I314-V328 HydrophobicContact CG1-CG2 3.94Å
329N93.6Very high96.8Very high114 Ų11445.7 Ų45.761%0.6125%0.251SS*.THydrogen-bonded Turntrans-91.5-49.8-174.1-56.7-62.9000111.2K295 D327K295-N329 PolarHBondContact NZ-O 3.19Å; D327-N329 VanDerWaalsContact C-N 3.28Å; D327-N329 PolarHBondContact O-N 3.32Å; D327-N329 WeakPolarHBondContact OD1-CA 3.47Å; D327-N329 WeakPolarHBondContact OD1-CB 3.29Å; D327-N329 PolarHBondContact OD1-N 3.37Å
330T93.9Very high96.7Very high76 Ų7643.8 Ų43.847%0.46624%0.237SC..THydrogen-bonded Turntrans-81.8-38.2-178.271.10000110.9K295 D327 E332K295-T330 PolarHBondContact NZ-O 2.95Å; D327-T330 VanDerWaalsContact CB-OG1 3.28Å; D327-T330 WeakPolarHBondContact CB-OG1 3.04Å; D327-T330 PolarHBondContact OD1-N 2.87Å; D327-T330 PolarHBondContact OD1-OG1 2.91Å; T330-E332 VanDerWaalsContact OG1-CD 3.31Å; T330-E332 VanDerWaalsContact OG1-CG 3.25Å; T330-E332 WeakPolarHBondContact OG1-CG 3.48Å; T330-E332 PolarHBondContact OG1-N 2.95Å; T330-E332 PolarHBondContact OG1-OE1 2.87Å
331G94Very high96.7Very high13 Ų1349.2 Ų49.213%0.13427%0.266CS..  trans85.910.2-172.800000113.6D327D327-G331 WeakPolarHBondContact O-CA 3.39Å; D327-G331 PolarHBondContact O-N 3.25Å
332E95.3Very high96.7Very high108 Ų10851 Ų5151%0.50527%0.271SS..  trans-77.2151.4178.478-161.4134.300112.2W326 D327 T330 L334W326-E332 CarbonylContact C-O 3.57Å; W326-E332 WeakPolarHBondContact CA-O 3.4Å; D327-E332 HydrophobicContact CB-CG 4.06Å; D327-E332 PolarHBondContact N-O 3Å; T330-E332 VanDerWaalsContact OG1-CD 3.31Å; T330-E332 VanDerWaalsContact OG1-CG 3.25Å; T330-E332 WeakPolarHBondContact OG1-CG 3.48Å; T330-E332 PolarHBondContact OG1-N 2.95Å; T330-E332 PolarHBondContact OG1-OE1 2.87Å; E332-L334 HydrophobicContact CG-CD2 3.84Å; E332-L334 PolarHBondContact O-N 3.22Å
333V96.8Very high96.7Very high66 Ų6650.9 Ų50.940%0.427%0.272SS..EExtended strand (participates in β ladder)trans-79.2114.7175.1-178.40000108.8W326W326-V333 HydrophobicContact CD2-CG2 4.12Å; W326-V333 HydrophobicContact CE3-CB 4.45Å; W326-V333 HydrophobicContact CE3-CG2 3.44Å; W326-V333 VanDerWaalsContact CE3-CG2 3.44Å; W326-V333 HydrophobicContact CH2-CG2 3.71Å; W326-V333 HydrophobicContact CZ2-CG2 4.34Å; W326-V333 HydrophobicContact CZ3-CG2 3.22Å
334L96.6Very high96.7Very high51 Ų5150.8 Ų50.827%0.26727%0.271SS..EExtended strand (participates in β ladder)trans-86.8-37.5177.9-60.4177000111.9V313 V325 D327 E332 A371V313-L334 HydrophobicContact CG1-CD1 3.99Å; V325-L334 HydrophobicContact CG1-CB 4.43Å; V325-L334 PolarHBondContact O-N 3.09Å; D327-L334 HydrophobicContact CB-CD1 3.99Å; D327-L334 HydrophobicContact CB-CD2 4.3Å; D327-L334 HydrophobicContact CB-CG 4.18Å; E332-L334 HydrophobicContact CG-CD2 3.84Å; E332-L334 PolarHBondContact O-N 3.22Å; L334-A371 HydrophobicContact CB-CB 4.38Å; L334-A371 HydrophobicContact CD1-CB 3.62Å
335N96.9Very high96.7Very high36 Ų3650.6 Ų50.619%0.19327%0.273CS..EExtended strand (participates in β ladder)trans-153.6155.3-176.8-153.2-14000112.5R324 V325 A371 T372R324-N335 WeakPolarHBondContact CA-O 3.48Å; V325-N335 HydrophobicContact CB-CB 4.03Å; V325-N335 HydrophobicContact CG2-CB 4.15Å; V325-N335 PolarHBondContact N-O 3.34Å; V325-N335 PolarHBondContact O-N 2.97Å; N335-A371 WeakPolarHBondContact CB-O 3.41Å; N335-A371 PolarHBondContact ND2-O 2.86Å; N335-T372 PolarHBondContact ND2-O 2.99Å
336T97.4Very high96.7Very high54 Ų5451.7 Ų51.733%0.33128%0.278SS..EExtended strand (participates in β ladder)trans-136.1113.5173.9-60.70000109.6T322 R324 I338T322-T336 HydrophobicContact CG2-CG2 4.39Å; R324-T336 HydrophobicContact CG-CG2 4.19Å; T336-I338 HydrophobicContact CG2-CG1 4.21Å
337L97Very high96.7Very high16 Ų1651.7 Ų51.78%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-92.6121.3179.4-48.5176.5000109.6V323 M354 W366 I374V323-L337 HydrophobicContact CB-CB 4.17Å; V323-L337 HydrophobicContact CB-CD1 4.24Å; V323-L337 HydrophobicContact CG1-CD1 4.2Å; V323-L337 PolarHBondContact N-O 3.37Å; V323-L337 VanDerWaalsContact N-O 3.14Å; V323-L337 PolarHBondContact O-N 2.8Å; L337-M354 HydrophobicContact CD1-CE 3.46Å; L337-M354 VanDerWaalsContact CD1-CE 3.46Å; L337-W366 HydrophobicContact CB-CH2 4.37Å; L337-W366 HydrophobicContact CD1-CD2 4.46Å; L337-W366 HydrophobicContact CD1-CE3 4.34Å; L337-W366 HydrophobicContact CD1-CZ3 4.41Å; L337-I374 HydrophobicContact CD1-CB 4.43Å; L337-I374 HydrophobicContact CD1-CD1 4.2Å; L337-I374 HydrophobicContact CD1-CG2 3.87Å; L337-I374 HydrophobicContact CD2-CB 4.01Å; L337-I374 HydrophobicContact CD2-CD1 4.44Å; L337-I374 HydrophobicContact CD2-CG2 4.22Å
338I96.9Very high96.8Very high143 Ų14353.4 Ų53.473%0.73328%0.282SS*.EExtended strand (participates in β ladder)trans-114.7107.8178-53.9177.2000107.3T322 T336T322-I338 HydrophobicContact CG2-CG1 4.42Å; T336-I338 HydrophobicContact CG2-CG1 4.21Å
339H97.3Very high96.9Very high68 Ų6853.5 Ų53.532%0.31528%0.282SS..  trans-153.3-50.1-179.717868.2000112.6W366 L376 V379H339-W366 HydrophobicContact CB-CH2 3.52Å; H339-W366 HydrophobicContact CB-CZ2 4.05Å; H339-W366 AromaticContact CG-CH2 3.9Å; H339-L376 WeakPolarHBondContact CE1-CD2 3.4Å; H339-V379 WeakPolarHBondContact NE2-CG2 3.27Å
340H97.2Very high97Very high10 Ų1050 Ų505%0.04627%0.266CS..  trans-64.6141.5177.5-74.9-61.1000111.1S321 V344 T356 S358 D360 S362S321-H340 WeakPolarHBondContact CB-O 3.44Å; H340-V344 HydrophobicContact CB-CG2 4.09Å; H340-T356 PolarHBondContact NE2-OG1 2.9Å; H340-S358 VanDerWaalsContact ND1-CB 3.27Å; H340-S358 WeakPolarHBondContact ND1-CB 3.45Å; H340-D360 WeakPolarHBondContact CA-OD2 3.24Å; H340-D360 IonicContact CG-OD2 3.8Å; H340-D360 IonicContact ND1-OD1 2.66Å; H340-D360 IonicContact ND1-OD2 3.59Å; H340-D360 PolarHBondContact ND1-OD2 2.88Å; H340-S362 PolarHBondContact CE1-OG 3.5Å; H340-S362 PolarHBondContact ND1-OG 2.95Å
341N96.3Very high96.9Very high143 Ų14352.8 Ų52.877%0.76528%0.278SS*.SBendtrans-92.2-13.4-178.4-71.5-41.4000113.1D360N341-D360 PolarHBondContact N-OD2 2.97Å
342E98.2Very high96.8Very high65 Ų6554.1 Ų54.130%0.30429%0.292SS..SBendtrans-135.5173.6174.2-64.7-171.99800110.4S321 V344 S358 K359 D360S321-E342 VanDerWaalsContact CB-O 3.32Å; S321-E342 WeakPolarHBondContact CB-O 3.42Å; S321-E342 VanDerWaalsContact OG-CA 3.3Å; S321-E342 WeakPolarHBondContact OG-CA 3.43Å; S321-E342 PolarHBondContact OG-O 3.36Å; E342-V344 PolarHBondContact O-N 2.97Å; E342-S358 PolarHBondContact O-OG 3.19Å; E342-K359 HydrophobicContact CB-CB 3.87Å; E342-K359 HydrophobicContact CB-CG 4.46Å; E342-K359 IonicContact OE1-NZ 3.6Å; E342-K359 PolarHBondContact OE1-NZ 3.2Å; E342-K359 VanDerWaalsContact OE2-C 3.22Å; E342-D360 HydrophobicContact CB-CB 4.17Å; E342-D360 HydrophobicContact CG-CB 4.33Å; E342-D360 WeakPolarHBondContact OE2-CA 3.35Å; E342-D360 PolarHBondContact OE2-N 3.23Å
343A98.2Very high96.9Very high16 Ų1649.8 Ų49.813%0.13227%0.272CS..  trans-40.5128.1179.100000114.3L305 S321 L345 S358 K359L305-A343 HydrophobicContact CD1-CB 4.03Å; S321-A343 PolarHBondContact OG-N 3.21Å; A343-L345 HydrophobicContact CB-CD2 4.25Å; A343-L345 PolarHBondContact O-N 2.92Å; A343-S358 WeakPolarHBondContact O-CA 3.29Å; A343-S358 PolarHBondContact O-OG 3.35Å; A343-K359 HydrophobicContact CB-CB 4.47Å; A343-K359 PolarHBondContact O-N 3.28Å
344V98.6Very high97Very high0 Ų046.7 Ų46.70%025%0.253CS..EExtended strand (participates in β ladder)trans-80.8112.4174.9-175.70000108.7S318 V323 H340 E342S318-V344 PolarHBondContact O-N 2.86Å; V323-V344 HydrophobicContact CG2-CB 4.41Å; V323-V344 HydrophobicContact CG2-CG1 3.95Å; V323-V344 HydrophobicContact CG2-CG2 3.97Å; H340-V344 HydrophobicContact CB-CG2 4.09Å; E342-V344 PolarHBondContact O-N 2.97Å
345L98.4Very high97.1Very high36 Ų3644.2 Ų44.219%0.18824%0.241CC..EExtended strand (participates in β ladder)trans-90-34.3-169-60.6-176.7000112.7L305 A343 C357 K359 A386 V387L305-L345 HydrophobicContact CD1-CD2 3.73Å; A343-L345 HydrophobicContact CB-CD2 4.25Å; A343-L345 PolarHBondContact O-N 2.92Å; L345-C357 PolarHBondContact N-O 2.63Å; L345-K359 HydrophobicContact CD1-CB 4.12Å; L345-K359 HydrophobicContact CG-CB 4.34Å; L345-A386 HydrophobicContact CD1-CB 4.06Å; L345-V387 WeakPolarHBondContact CD1-O 3.36Å
346H98.6Very high97.1Very high23 Ų2342.5 Ų42.511%0.10623%0.231CC..EExtended strand (participates in β ladder)trans-151.5154.7177.4-153.5-90.5000110.7C306 C357 V390 R518C306-H346 VanDerWaalsContact SG-C 3.58Å; C306-H346 WeakPolarHBondContact SG-CA 2.85Å; H346-C357 VanDerWaalsContact CB-SG 3.58Å; H346-C357 PolarHBondContact N-O 3.49Å; H346-C357 PolarHBondContact O-N 3.21Å; H346-V390 PolarHBondContact CE1-O 2.9Å; H346-V390 PolarHBondContact ND1-O 2.79Å; H346-V390 VanDerWaalsContact ND1-O 3.08Å; H346-R518 PolarHBondContact NE2-NH1 3.1Å; H346-R518 PolarHBondContact NE2-NH2 3.11Å
347L98.3Very high97.2Very high4 Ų440 Ų402%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-144.7156.8170.366.188.6000109.6Q308 V315 V323 F349 V355 T356Q308-L347 HydrophobicContact CB-CD1 3.98Å; V315-L347 HydrophobicContact CB-CD1 4.17Å; V315-L347 HydrophobicContact CG1-CD1 4Å; V315-L347 HydrophobicContact CG1-CD2 3.89Å; V323-L347 HydrophobicContact CG1-CD2 4.27Å; L347-F349 HydrophobicContact CD1-CD1 4.4Å; L347-V355 CarbonylContact C-O 3.59Å; L347-V355 VanDerWaalsContact CA-O 3.25Å; L347-V355 WeakPolarHBondContact CA-O 3.4Å; L347-T356 HydrophobicContact CB-CG2 3.96Å
348R98.3Very high97.3Very high68 Ų6839.2 Ų39.226%0.25721%0.212SC..EExtended strand (participates in β ladder)trans-142.4144.4165.9-179.1172.8173.572.1-8.1108.7M354 V355 D391 F392R348-M354 CarbonylContact O-C 3.6Å; R348-M354 WeakPolarHBondContact O-CA 3.35Å; R348-V355 PolarHBondContact N-O 3.07Å; R348-V355 PolarHBondContact O-N 3.36Å; R348-D391 WeakPolarHBondContact CD-OD1 3.09Å; R348-D391 IonicContact CZ-OD1 3.28Å; R348-D391 IonicContact NE-OD1 3.21Å; R348-D391 PolarHBondContact NE-OD1 2.91Å; R348-F392 HydrophobicContact CB-CD1 4Å; R348-F392 HydrophobicContact CB-CE1 3.89Å; R348-F392 HydrophobicContact CG-CD1 3.87Å; R348-F392 HydrophobicContact CG-CE1 3.62Å; R348-F392 PolarHBondContact NE-O 2.88Å; R348-F392 WeakPolarHBondContact O-CE1 3.39Å
349F97.4Very high97.3Very high13 Ų1337.1 Ų37.16%0.05720%0.197CC..EExtended strand (participates in β ladder)trans-136149.5167.474.4-87.1000111.4Q308 D310 V313 V315 L347 L353 M354 M368Q308-F349 HydrophobicContact CB-CD1 4.01Å; Q308-F349 HydrophobicContact CB-CE1 3.72Å; Q308-F349 HydrophobicContact CG-CD1 4.09Å; Q308-F349 HydrophobicContact CG-CE1 3.72Å; Q308-F349 HydrophobicContact CG-CZ 4.43Å; Q308-F349 PolarHBondContact NE2-O 2.87Å; Q308-F349 WeakPolarHBondContact O-CE1 3.45Å; Q308-F349 PolarHBondContact OE1-O 3.44Å; D310-F349 HydrophobicContact CB-CE2 4.01Å; D310-F349 HydrophobicContact CB-CZ 4.03Å; D310-F349 WeakPolarHBondContact OD2-CE2 3.4Å; V313-F349 HydrophobicContact CG2-CE2 4.38Å; V313-F349 HydrophobicContact CG2-CZ 4.18Å; V315-F349 HydrophobicContact CB-CD1 4.09Å; V315-F349 HydrophobicContact CB-CE1 3.94Å; V315-F349 HydrophobicContact CG2-CD1 3.86Å; V315-F349 HydrophobicContact CG2-CE1 3.63Å; V315-F349 HydrophobicContact CG2-CZ 4.19Å; L347-F349 HydrophobicContact CD1-CD1 4.4Å; F349-L353 CarbonylContact C-O 3.45Å; F349-L353 WeakPolarHBondContact CA-O 3.36Å; F349-L353 WeakPolarHBondContact CB-O 3.48Å; F349-M354 HydrophobicContact CB-CB 3.7Å; F349-M354 HydrophobicContact CB-CG 3.94Å; F349-M368 HydrophobicContact CD2-SD 4.31Å
350S95.5Very high97.3Very high40 Ų4035.5 Ų35.528%0.2819%0.191SC..EExtended strand (participates in β ladder)trans-169.4146.4178.7-173.80000109.1G352 L353S350-G352 PolarHBondContact O-N 2.95Å; S350-G352 VanDerWaalsContact O-N 3.11Å; S350-L353 PolarHBondContact N-O 3.08Å; S350-L353 PolarHBondContact O-N 3.46Å; S350-L353 VanDerWaalsContact O-O 3.07Å
351N92.4Very high97.4Very high135 Ų13541.5 Ų41.572%0.72221%0.213SC*.THydrogen-bonded Turntrans52.136.3172.4-59.5-20.6000114.7L353N351-L353 VanDerWaalsContact C-N 3.25Å; N351-L353 PolarHBondContact O-N 3.1Å
352G92.1Very high97.4Very high41 Ų4135.4 Ų35.442%0.42318%0.181SC..THydrogen-bonded Turntrans74.69.9-179.300000114.8S350 M368S350-G352 PolarHBondContact O-N 2.95Å; S350-G352 VanDerWaalsContact O-N 3.11Å; G352-M368 WeakPolarHBondContact CA-O 3.18Å; G352-M368 WeakPolarHBondContact O-CA 3.35Å; G352-M368 PolarHBondContact O-N 2.91Å
353L96.7Very high97.4Very high18 Ų1832.3 Ų32.39%0.09417%0.167CC..EExtended strand (participates in β ladder)trans-113.5140.4170.9-166.476.8000109.5F349 S350 N351 V365 W366 D367 F392 T411F349-L353 CarbonylContact C-O 3.45Å; F349-L353 WeakPolarHBondContact CA-O 3.36Å; F349-L353 WeakPolarHBondContact CB-O 3.48Å; S350-L353 PolarHBondContact N-O 3.08Å; S350-L353 PolarHBondContact O-N 3.46Å; S350-L353 VanDerWaalsContact O-O 3.07Å; N351-L353 VanDerWaalsContact C-N 3.25Å; N351-L353 PolarHBondContact O-N 3.1Å; L353-V365 HydrophobicContact CD1-CG1 3.76Å; L353-V365 HydrophobicContact CD2-CG1 4.42Å; L353-V365 HydrophobicContact CG-CG1 4.26Å; L353-W366 WeakPolarHBondContact CD1-O 3.41Å; L353-D367 WeakPolarHBondContact CD1-OD1 3.38Å; L353-F392 HydrophobicContact CB-CE2 4.22Å; L353-F392 HydrophobicContact CB-CZ 4.22Å; L353-F392 HydrophobicContact CD2-CD2 4.21Å; L353-F392 HydrophobicContact CD2-CE2 3.89Å; L353-F392 HydrophobicContact CD2-CZ 4.36Å; L353-F392 HydrophobicContact CG-CE2 4.48Å; L353-F392 WeakPolarHBondContact O-CZ 3.37Å; L353-T411 HydrophobicContact CD2-CG2 3.56Å
354M98.2Very high97.5Very high0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans-127.3142.4171.2175.5175.266.500110.4V315 L337 R348 F349 T356 W366 I374V315-M354 HydrophobicContact CG1-SD 3.71Å; L337-M354 HydrophobicContact CD1-CE 3.46Å; L337-M354 VanDerWaalsContact CD1-CE 3.46Å; R348-M354 CarbonylContact O-C 3.6Å; R348-M354 WeakPolarHBondContact O-CA 3.35Å; F349-M354 HydrophobicContact CB-CB 3.7Å; F349-M354 HydrophobicContact CB-CG 3.94Å; M354-T356 HydrophobicContact CE-CG2 4.34Å; M354-T356 HydrophobicContact CG-CG2 4.16Å; M354-T356 HydrophobicContact SD-CG2 4.23Å; M354-W366 HydrophobicContact CB-CB 4.17Å; M354-W366 HydrophobicContact CE-CB 3.99Å; M354-W366 HydrophobicContact CE-CD2 4.28Å; M354-W366 HydrophobicContact CE-CG 3.76Å; M354-W366 PolarHBondContact N-O 2.89Å; M354-W366 PolarHBondContact O-N 2.92Å; M354-I374 HydrophobicContact CE-CD1 4.49Å; M354-I374 HydrophobicContact CE-CG2 3.98Å
355V98.6Very high97.4Very high0 Ų031.6 Ų31.60%016%0.161CC..EExtended strand (participates in β ladder)trans-127.1126.6175.4-172.40000108.8L347 R348 I363 A364 V365 V390 F392 I397L347-V355 CarbonylContact C-O 3.59Å; L347-V355 VanDerWaalsContact CA-O 3.25Å; L347-V355 WeakPolarHBondContact CA-O 3.4Å; R348-V355 PolarHBondContact N-O 3.07Å; R348-V355 PolarHBondContact O-N 3.36Å; V355-I363 HydrophobicContact CG1-CG2 3.4Å; V355-A364 WeakPolarHBondContact CA-O 3.42Å; V355-V365 HydrophobicContact CG1-CG2 4.45Å; V355-V365 HydrophobicContact CG2-CG1 4.49Å; V355-V365 HydrophobicContact CG2-CG2 4.41Å; V355-V390 HydrophobicContact CB-CG2 4.34Å; V355-V390 HydrophobicContact CG1-CB 4.45Å; V355-V390 HydrophobicContact CG1-CG1 4.15Å; V355-V390 HydrophobicContact CG1-CG2 3.53Å; V355-F392 HydrophobicContact CB-CD1 4.11Å; V355-F392 HydrophobicContact CB-CE1 4.37Å; V355-F392 HydrophobicContact CG2-CD1 3.65Å; V355-F392 HydrophobicContact CG2-CE1 3.91Å; V355-F392 HydrophobicContact CG2-CG 4.15Å; V355-I397 HydrophobicContact CG1-CG2 4.07Å; V355-I397 HydrophobicContact CG2-CD1 4.13Å; V355-I397 HydrophobicContact CG2-CG1 4.38Å
356T98.6Very high97.4Very high0 Ų030.5 Ų30.50%015%0.154CC..EExtended strand (participates in β ladder)trans-119146.4178.7620000109.6V323 H340 L347 M354 I363 A364 W366V323-T356 HydrophobicContact CG2-CG2 4.02Å; H340-T356 PolarHBondContact NE2-OG1 2.9Å; L347-T356 HydrophobicContact CB-CG2 3.96Å; M354-T356 HydrophobicContact CE-CG2 4.34Å; M354-T356 HydrophobicContact CG-CG2 4.16Å; M354-T356 HydrophobicContact SD-CG2 4.23Å; T356-I363 CarbonylContact O-C 3.52Å; T356-I363 VanDerWaalsContact O-CA 3.28Å; T356-I363 WeakPolarHBondContact O-CA 3.46Å; T356-I363 WeakPolarHBondContact O-CG2 3.27Å; T356-A364 PolarHBondContact N-O 3.22Å; T356-A364 PolarHBondContact O-N 3.29Å; T356-W366 PolarHBondContact OG1-NE1 3.36Å
357C98.3Very high97.4Very high0 Ų032.1 Ų32.10%016%0.164CC..EExtended strand (participates in β ladder)trans-134145.7174.775.70000111.3L345 H346 I363 V387 V390L345-C357 PolarHBondContact N-O 2.63Å; H346-C357 VanDerWaalsContact CB-SG 3.58Å; H346-C357 PolarHBondContact N-O 3.49Å; H346-C357 PolarHBondContact O-N 3.21Å; C357-I363 HydrophobicContact CB-CG1 4.12Å; C357-V387 HydrophobicContact CB-CB 3.84Å; C357-V387 HydrophobicContact CB-CG1 3.57Å; C357-V387 PolarHBondContact SG-O 2.88Å; C357-V390 HydrophobicContact CB-CB 4.14Å; C357-V390 HydrophobicContact CB-CG1 4.04Å
358S98.4Very high97.2Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-130.1163.8-171.3169.90000112.7H340 E342 A343 D360 R361 S362 V387H340-S358 VanDerWaalsContact ND1-CB 3.27Å; H340-S358 WeakPolarHBondContact ND1-CB 3.45Å; E342-S358 PolarHBondContact O-OG 3.19Å; A343-S358 WeakPolarHBondContact O-CA 3.29Å; A343-S358 PolarHBondContact O-OG 3.35Å; S358-D360 VanDerWaalsContact CB-OD1 3.3Å; S358-D360 WeakPolarHBondContact CB-OD1 3.48Å; S358-D360 PolarHBondContact O-N 2.98Å; S358-D360 VanDerWaalsContact OG-CG 3.26Å; S358-D360 PolarHBondContact OG-N 3.13Å; S358-D360 VanDerWaalsContact OG-N 3.13Å; S358-D360 PolarHBondContact OG-OD1 3.15Å; S358-D360 PolarHBondContact OG-OD2 3.09Å; S358-R361 PolarHBondContact O-N 2.93Å; S358-S362 PolarHBondContact N-O 3.1Å; S358-V387 PolarHBondContact O-N 3.33Å
359K98.3Very high97Very high100 Ų10033.9 Ų33.944%0.43519%0.19SC..THydrogen-bonded Turntrans-59-23.5167.8-171.4178.8170.1-1160112.5E342 A343 L345 R361 A386E342-K359 HydrophobicContact CB-CB 3.87Å; E342-K359 HydrophobicContact CB-CG 4.46Å; E342-K359 IonicContact OE1-NZ 3.6Å; E342-K359 PolarHBondContact OE1-NZ 3.2Å; E342-K359 VanDerWaalsContact OE2-C 3.22Å; A343-K359 HydrophobicContact CB-CB 4.47Å; A343-K359 PolarHBondContact O-N 3.28Å; L345-K359 HydrophobicContact CD1-CB 4.12Å; L345-K359 HydrophobicContact CG-CB 4.34Å; K359-R361 PolarHBondContact O-N 3.38Å; K359-A386 HydrophobicContact CB-CB 4.37Å; K359-A386 HydrophobicContact CG-CB 4.04Å
360D97.5Very high96.8Very high33 Ų3335.6 Ų35.618%0.17620%0.204CC..THydrogen-bonded Turntrans-66.1-0.3174.871.316.5000114.3H340 N341 E342 S358 S362H340-D360 WeakPolarHBondContact CA-OD2 3.24Å; H340-D360 IonicContact CG-OD2 3.8Å; H340-D360 IonicContact ND1-OD1 2.66Å; H340-D360 IonicContact ND1-OD2 3.59Å; H340-D360 PolarHBondContact ND1-OD2 2.88Å; N341-D360 PolarHBondContact N-OD2 2.97Å; E342-D360 HydrophobicContact CB-CB 4.17Å; E342-D360 HydrophobicContact CG-CB 4.33Å; E342-D360 WeakPolarHBondContact OE2-CA 3.35Å; E342-D360 PolarHBondContact OE2-N 3.23Å; S358-D360 VanDerWaalsContact CB-OD1 3.3Å; S358-D360 WeakPolarHBondContact CB-OD1 3.48Å; S358-D360 PolarHBondContact O-N 2.98Å; S358-D360 VanDerWaalsContact OG-CG 3.26Å; S358-D360 PolarHBondContact OG-N 3.13Å; S358-D360 VanDerWaalsContact OG-N 3.13Å; S358-D360 PolarHBondContact OG-OD1 3.15Å; S358-D360 PolarHBondContact OG-OD2 3.09Å; D360-S362 VanDerWaalsContact CG-OG 3.25Å; D360-S362 PolarHBondContact O-N 3.05Å; D360-S362 WeakPolarHBondContact OD1-CA 3.36Å; D360-S362 VanDerWaalsContact OD1-CB 3.26Å; D360-S362 WeakPolarHBondContact OD1-CB 3.39Å; D360-S362 PolarHBondContact OD1-N 2.99Å; D360-S362 PolarHBondContact OD1-OG 2.86Å; D360-S362 PolarHBondContact OD2-OG 2.91Å
361R98Very high96.6Very high137 Ų13734.8 Ų34.852%0.51720%0.199SC..SBendtrans75.84.9176.2-38.7171.6-143.2175.79.2114S358 K359S358-R361 PolarHBondContact O-N 2.93Å; K359-R361 PolarHBondContact O-N 3.38Å
362S97.2Very high96.6Very high14 Ų1433 Ų3310%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-97.4158.3176.776.40000112.1H340 S358 D360H340-S362 PolarHBondContact CE1-OG 3.5Å; H340-S362 PolarHBondContact ND1-OG 2.95Å; S358-S362 PolarHBondContact N-O 3.1Å; D360-S362 VanDerWaalsContact CG-OG 3.25Å; D360-S362 PolarHBondContact O-N 3.05Å; D360-S362 WeakPolarHBondContact OD1-CA 3.36Å; D360-S362 VanDerWaalsContact OD1-CB 3.26Å; D360-S362 WeakPolarHBondContact OD1-CB 3.39Å; D360-S362 PolarHBondContact OD1-N 2.99Å; D360-S362 PolarHBondContact OD1-OG 2.86Å; D360-S362 PolarHBondContact OD2-OG 2.91Å
363I98.6Very high96.7Very high1 Ų135 Ų351%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-121.8127.6168.3-57.5156000106.3V355 T356 C357 V379 L380 V387 V390 S399 W409V355-I363 HydrophobicContact CG1-CG2 3.4Å; T356-I363 CarbonylContact O-C 3.52Å; T356-I363 VanDerWaalsContact O-CA 3.28Å; T356-I363 WeakPolarHBondContact O-CA 3.46Å; T356-I363 WeakPolarHBondContact O-CG2 3.27Å; C357-I363 HydrophobicContact CB-CG1 4.12Å; I363-V379 CarbonylContact O-C 3.52Å; I363-V379 WeakPolarHBondContact O-CA 3.46Å; I363-L380 HydrophobicContact CB-CB 4.09Å; I363-L380 HydrophobicContact CB-CD1 4.3Å; I363-L380 HydrophobicContact CB-CG 4.32Å; I363-L380 HydrophobicContact CD1-CB 4.49Å; I363-L380 HydrophobicContact CG2-CD1 4.05Å; I363-L380 HydrophobicContact CG2-CG 4.42Å; I363-L380 PolarHBondContact N-O 2.81Å; I363-L380 VanDerWaalsContact N-O 3.07Å; I363-L380 PolarHBondContact O-N 2.91Å; I363-V387 HydrophobicContact CD1-CG1 4.34Å; I363-V387 HydrophobicContact CG1-CG1 4.07Å; I363-V387 HydrophobicContact CG1-CG2 4.26Å; I363-V390 HydrophobicContact CG2-CG2 4.38Å; I363-S399 WeakPolarHBondContact CD1-OG 3.46Å; I363-W409 HydrophobicContact CD1-CZ2 4.42Å
364A98.4Very high96.7Very high0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-107.3133.2175.300000109.8V355 T356 W366 L376V355-A364 WeakPolarHBondContact CA-O 3.42Å; T356-A364 PolarHBondContact N-O 3.22Å; T356-A364 PolarHBondContact O-N 3.29Å; A364-W366 HydrophobicContact CB-CZ2 3.73Å; A364-W366 PolarHBondContact O-NE1 3.22Å; A364-L376 HydrophobicContact CB-CD1 3.74Å
365V98.3Very high96.7Very high0 Ų038.5 Ų38.50%022%0.215CC..EExtended strand (participates in β ladder)trans-107.9128.8176.4-176.90000107.8L353 V355 R377 R378 L380 I397L353-V365 HydrophobicContact CD1-CG1 3.76Å; L353-V365 HydrophobicContact CD2-CG1 4.42Å; L353-V365 HydrophobicContact CG-CG1 4.26Å; V355-V365 HydrophobicContact CG1-CG2 4.45Å; V355-V365 HydrophobicContact CG2-CG1 4.49Å; V355-V365 HydrophobicContact CG2-CG2 4.41Å; V365-R377 HydrophobicContact CG1-CB 4.49Å; V365-R377 WeakPolarHBondContact O-CA 3.37Å; V365-R377 WeakPolarHBondContact O-CB 3.34Å; V365-R377 PolarHBondContact O-N 3.23Å; V365-R378 PolarHBondContact N-O 3.21Å; V365-R378 PolarHBondContact O-N 2.83Å; V365-L380 HydrophobicContact CG2-CD1 4.07Å; V365-L380 HydrophobicContact CG2-CD2 4.39Å; V365-L380 HydrophobicContact CG2-CG 4.15Å; V365-I397 HydrophobicContact CG2-CD1 3.88Å
366W98.2Very high96.6Very high13 Ų1341.9 Ų41.95%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-124.7135.1-171.3-47.583.4000110.4L337 H339 L353 M354 T356 A364 I374 T375 L376L337-W366 HydrophobicContact CB-CH2 4.37Å; L337-W366 HydrophobicContact CD1-CD2 4.46Å; L337-W366 HydrophobicContact CD1-CE3 4.34Å; L337-W366 HydrophobicContact CD1-CZ3 4.41Å; H339-W366 HydrophobicContact CB-CH2 3.52Å; H339-W366 HydrophobicContact CB-CZ2 4.05Å; H339-W366 AromaticContact CG-CH2 3.9Å; L353-W366 WeakPolarHBondContact CD1-O 3.41Å; M354-W366 HydrophobicContact CB-CB 4.17Å; M354-W366 HydrophobicContact CE-CB 3.99Å; M354-W366 HydrophobicContact CE-CD2 4.28Å; M354-W366 HydrophobicContact CE-CG 3.76Å; M354-W366 PolarHBondContact N-O 2.89Å; M354-W366 PolarHBondContact O-N 2.92Å; T356-W366 PolarHBondContact OG1-NE1 3.36Å; A364-W366 HydrophobicContact CB-CZ2 3.73Å; A364-W366 PolarHBondContact O-NE1 3.22Å; W366-I374 HydrophobicContact CB-CG2 3.82Å; W366-I374 HydrophobicContact CD2-CG2 4.42Å; W366-I374 HydrophobicContact CE3-CG2 4.06Å; W366-I374 HydrophobicContact CG-CG2 4.37Å; W366-T375 CarbonylContact C-O 3.54Å; W366-T375 VanDerWaalsContact CA-O 3.23Å; W366-T375 WeakPolarHBondContact CA-O 3.38Å; W366-L376 HydrophobicContact CD2-CD1 4.15Å; W366-L376 HydrophobicContact CE3-CB 3.94Å; W366-L376 HydrophobicContact CE3-CD1 4.09Å; W366-L376 HydrophobicContact CH2-CD1 4.15Å; W366-L376 HydrophobicContact CZ2-CD1 4.18Å; W366-L376 HydrophobicContact CZ3-CB 3.82Å; W366-L376 HydrophobicContact CZ3-CD1 4.1Å
367D97.1Very high96.5Very high57 Ų5746.9 Ų46.931%0.30525%0.252SS..EExtended strand (participates in β ladder)trans-89.2119.2168.2-65.1-38.2000108L353 I374 T375 R377L353-D367 WeakPolarHBondContact CD1-OD1 3.38Å; D367-I374 WeakPolarHBondContact O-CA 3.39Å; D367-T375 PolarHBondContact N-O 2.9Å; D367-T375 PolarHBondContact O-N 3.16Å; D367-R377 WeakPolarHBondContact OD1-CD 3.16Å; D367-R377 WeakPolarHBondContact OD2-CB 3.32Å; D367-R377 WeakPolarHBondContact OD2-CD 3.32Å; D367-R377 WeakPolarHBondContact OD2-CG 3.4Å
368M94.8Very high96.5Very high24 Ų2452.4 Ų52.412%0.11827%0.273CS..EExtended strand (participates in β ladder)trans-108.784.4-176-176.2174.5-161.600109.2V313 V315 V325 F349 G352 I374V313-M368 HydrophobicContact CG2-CE 4.01Å; V315-M368 HydrophobicContact CG2-CE 4.31Å; V325-M368 HydrophobicContact CG1-CE 4.45Å; F349-M368 HydrophobicContact CD2-SD 4.31Å; G352-M368 WeakPolarHBondContact CA-O 3.18Å; G352-M368 WeakPolarHBondContact O-CA 3.35Å; G352-M368 PolarHBondContact O-N 2.91Å; M368-I374 HydrophobicContact CB-CG1 4.5Å; M368-I374 HydrophobicContact CE-CD1 4.01Å; M368-I374 HydrophobicContact CG-CD1 4.27Å; M368-I374 HydrophobicContact CG-CG1 4.08Å
369A93.9Very high96.4Very high85 Ų8555.4 Ų55.470%0.70229%0.291SS*.SBendtrans-72.8-35.2176.700000111.5D373A369-D373 HydrophobicContact CB-CB 4.46Å; A369-D373 PolarHBondContact N-O 2.83Å; A369-D373 VanDerWaalsContact N-O 3.14Å
370S93.2Very high96.4Very high50 Ų5051 Ų5135%0.3527%0.272SS..SBendtrans-152.3176.6172.570.40000110.6T372 D373 I374S370-T372 PolarHBondContact O-N 3.1Å; S370-T372 PolarHBondContact OG-OG1 2.84Å; S370-D373 PolarHBondContact N-O 2.76Å; S370-D373 PolarHBondContact O-N 2.82Å; S370-D373 VanDerWaalsContact OG-CB 3.31Å; S370-D373 WeakPolarHBondContact OG-CB 3.23Å; S370-D373 PolarHBondContact OG-N 2.78Å; S370-I374 WeakPolarHBondContact O-CG1 3.46Å
371A91.6Very high96.3Very high23 Ų2354.7 Ų54.719%0.1930%0.296CS..SBendtrans-61-30.1177.300000113.1V313 V325 L334 N335V313-A371 HydrophobicContact CG1-CB 3.67Å; V325-A371 HydrophobicContact CG1-CB 4.09Å; L334-A371 HydrophobicContact CB-CB 4.38Å; L334-A371 HydrophobicContact CD1-CB 3.62Å; N335-A371 WeakPolarHBondContact CB-O 3.41Å; N335-A371 PolarHBondContact ND2-O 2.86Å
372T92.4Very high96.1Very high97 Ų9749.9 Ų49.960%0.59529%0.288SS*.SBendtrans-98-24.1-178.851.60000113N335 S370N335-T372 PolarHBondContact ND2-O 2.99Å; S370-T372 PolarHBondContact O-N 3.1Å; S370-T372 PolarHBondContact OG-OG1 2.84Å
373D94.6Very high96.2Very high84 Ų8449.8 Ų49.845%0.44929%0.286SS..  trans-106.391.5179.3-170.518000111A369 S370A369-D373 HydrophobicContact CB-CB 4.46Å; A369-D373 PolarHBondContact N-O 2.83Å; A369-D373 VanDerWaalsContact N-O 3.14Å; S370-D373 PolarHBondContact N-O 2.76Å; S370-D373 PolarHBondContact O-N 2.82Å; S370-D373 VanDerWaalsContact OG-CB 3.31Å; S370-D373 WeakPolarHBondContact OG-CB 3.23Å; S370-D373 PolarHBondContact OG-N 2.78Å
374I97.1Very high96.1Very high19 Ų1959.9 Ų59.910%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-126.3117.2179.3-54.7178.9000108.1V325 L337 M354 W366 D367 M368 S370V325-I374 HydrophobicContact CG2-CD1 3.69Å; L337-I374 HydrophobicContact CD1-CB 4.43Å; L337-I374 HydrophobicContact CD1-CD1 4.2Å; L337-I374 HydrophobicContact CD1-CG2 3.87Å; L337-I374 HydrophobicContact CD2-CB 4.01Å; L337-I374 HydrophobicContact CD2-CD1 4.44Å; L337-I374 HydrophobicContact CD2-CG2 4.22Å; M354-I374 HydrophobicContact CE-CD1 4.49Å; M354-I374 HydrophobicContact CE-CG2 3.98Å; W366-I374 HydrophobicContact CB-CG2 3.82Å; W366-I374 HydrophobicContact CD2-CG2 4.42Å; W366-I374 HydrophobicContact CE3-CG2 4.06Å; W366-I374 HydrophobicContact CG-CG2 4.37Å; D367-I374 WeakPolarHBondContact O-CA 3.39Å; M368-I374 HydrophobicContact CB-CG1 4.5Å; M368-I374 HydrophobicContact CE-CD1 4.01Å; M368-I374 HydrophobicContact CG-CD1 4.27Å; M368-I374 HydrophobicContact CG-CG1 4.08Å; S370-I374 WeakPolarHBondContact O-CG1 3.46Å
375T97.2Very high96.1Very high71 Ų7161.3 Ų61.344%0.43634%0.336SS..EExtended strand (participates in β ladder)trans-114.4141.8-176.861.50000111W366 D367 R377W366-T375 CarbonylContact C-O 3.54Å; W366-T375 VanDerWaalsContact CA-O 3.23Å; W366-T375 WeakPolarHBondContact CA-O 3.38Å; D367-T375 PolarHBondContact N-O 2.9Å; D367-T375 PolarHBondContact O-N 3.16Å; T375-R377 PolarHBondContact O-N 3.22Å
376L97.6Very high96.1Very high71 Ų7162.4 Ų62.437%0.37235%0.345SS..EExtended strand (participates in β ladder)trans-75.3115.1176178.868000109.3H339 A364 W366 V379H339-L376 WeakPolarHBondContact CE1-CD2 3.4Å; A364-L376 HydrophobicContact CB-CD1 3.74Å; W366-L376 HydrophobicContact CD2-CD1 4.15Å; W366-L376 HydrophobicContact CE3-CB 3.94Å; W366-L376 HydrophobicContact CE3-CD1 4.09Å; W366-L376 HydrophobicContact CH2-CD1 4.15Å; W366-L376 HydrophobicContact CZ2-CD1 4.18Å; W366-L376 HydrophobicContact CZ3-CB 3.82Å; W366-L376 HydrophobicContact CZ3-CD1 4.1Å; L376-V379 HydrophobicContact CD1-CG2 4.19Å; L376-V379 HydrophobicContact CD2-CG2 3.95Å; L376-V379 HydrophobicContact CG-CG2 4.45Å
377R96.1Very high96.1Very high106 Ų10661.8 Ų61.840%0.434%0.343SS..EExtended strand (participates in β ladder)trans-82.7-55.8179-169.4-176-178.6-162.8-8.6111.4V365 D367 T375 S412V365-R377 HydrophobicContact CG1-CB 4.49Å; V365-R377 WeakPolarHBondContact O-CA 3.37Å; V365-R377 WeakPolarHBondContact O-CB 3.34Å; V365-R377 PolarHBondContact O-N 3.23Å; D367-R377 WeakPolarHBondContact OD1-CD 3.16Å; D367-R377 WeakPolarHBondContact OD2-CB 3.32Å; D367-R377 WeakPolarHBondContact OD2-CD 3.32Å; D367-R377 WeakPolarHBondContact OD2-CG 3.4Å; T375-R377 PolarHBondContact O-N 3.22Å; R377-S412 PolarHBondContact NH2-O 3.34Å
378R97.4Very high96.2Very high116 Ų11661.3 Ų61.344%0.43834%0.341SS..EExtended strand (participates in β ladder)trans-150.2150.8-174-75.5-83.3-94.7-121.1-9.9110.8V365 L380 T413 C414V365-R378 PolarHBondContact N-O 3.21Å; V365-R378 PolarHBondContact O-N 2.83Å; R378-L380 HydrophobicContact CB-CD2 4.37Å; R378-T413 PolarHBondContact NH2-O 3.29Å; R378-C414 HydrophobicContact CB-CB 4.1Å; R378-C414 HydrophobicContact CG-CB 3.9Å
379V97.9Very high96.3Very high63 Ų6360.3 Ų60.338%0.38234%0.336SS..EExtended strand (participates in β ladder)trans-111.7119.9167.3-176.40000108.3H339 I363 L376 V381H339-V379 WeakPolarHBondContact NE2-CG2 3.27Å; I363-V379 CarbonylContact O-C 3.52Å; I363-V379 WeakPolarHBondContact O-CA 3.46Å; L376-V379 HydrophobicContact CD1-CG2 4.19Å; L376-V379 HydrophobicContact CD2-CG2 3.95Å; L376-V379 HydrophobicContact CG-CG2 4.45Å; V379-V381 HydrophobicContact CG1-CG2 4.03Å
380L97.5Very high96.6Very high7 Ų756.2 Ų56.24%0.03730%0.302CS..EExtended strand (participates in β ladder)trans-92.3121.2176.4-36.2177.2000108.6I363 V365 R378 I397 W409 C414I363-L380 HydrophobicContact CB-CB 4.09Å; I363-L380 HydrophobicContact CB-CD1 4.3Å; I363-L380 HydrophobicContact CB-CG 4.32Å; I363-L380 HydrophobicContact CD1-CB 4.49Å; I363-L380 HydrophobicContact CG2-CD1 4.05Å; I363-L380 HydrophobicContact CG2-CG 4.42Å; I363-L380 PolarHBondContact N-O 2.81Å; I363-L380 VanDerWaalsContact N-O 3.07Å; I363-L380 PolarHBondContact O-N 2.91Å; V365-L380 HydrophobicContact CG2-CD1 4.07Å; V365-L380 HydrophobicContact CG2-CD2 4.39Å; V365-L380 HydrophobicContact CG2-CG 4.15Å; R378-L380 HydrophobicContact CB-CD2 4.37Å; L380-I397 HydrophobicContact CD1-CD1 4.38Å; L380-W409 HydrophobicContact CB-CD2 4.39Å; L380-W409 HydrophobicContact CB-CE3 4.27Å; L380-W409 HydrophobicContact CB-CH2 4.28Å; L380-W409 HydrophobicContact CB-CZ2 4.38Å; L380-W409 HydrophobicContact CB-CZ3 4.21Å; L380-W409 HydrophobicContact CD1-CB 4.19Å; L380-W409 HydrophobicContact CD1-CD2 3.93Å; L380-W409 HydrophobicContact CD1-CE3 4.34Å; L380-W409 HydrophobicContact CD1-CG 3.84Å; L380-C414 HydrophobicContact CD2-CB 3.73Å
381V95.6Very high96.8Very high111 Ų11154.2 Ų54.267%0.67329%0.287SS*.EExtended strand (participates in β ladder)trans-120.3133.2177.5-175.50000108.3V379V379-V381 HydrophobicContact CG1-CG2 4.03Å
382G94.4Very high97.1Very high35 Ų3553.6 Ų53.636%0.36128%0.28SS..  trans172.1-19.9177.900000114.8K407G382-K407 VanDerWaalsContact O-CE 3.27Å; G382-K407 WeakPolarHBondContact O-CE 3.43Å
383H97.9Very high97.3Very high12 Ų1251.1 Ų51.16%0.05626%0.264CS..  trans-73.5147.5171.2-80.6-64.9000112V387 S399 S401 D403H383-V387 HydrophobicContact CB-CG2 3.78Å; H383-S399 PolarHBondContact NE2-OG 2.9Å; H383-S399 VanDerWaalsContact NE2-OG 3.1Å; H383-S401 WeakPolarHBondContact ND1-CB 3.44Å; H383-D403 WeakPolarHBondContact CA-OD2 3.28Å; H383-D403 IonicContact CE1-OD1 2.77Å; H383-D403 IonicContact CG-OD2 3.32Å; H383-D403 IonicContact ND1-OD1 2.77Å; H383-D403 PolarHBondContact ND1-OD1 3.22Å; H383-D403 IonicContact ND1-OD2 2.96Å; H383-D403 PolarHBondContact ND1-OD2 2.85Å
384R97.3Very high97.4Very high214 Ų21453.1 Ų53.181%0.80827%0.274SS*.SBendtrans-98-8.5-177.9-62.8-177.4179.2-171.2-0.4113.5D403R384-D403 HydrophobicContact CB-CB 4.06Å; R384-D403 PolarHBondContact N-OD2 2.9Å
385A98.2Very high97.3Very high30 Ų3057.1 Ų57.125%0.24829%0.291CS..SBendtrans-143.1177.6177.100000110.2V387 S401 D403A385-V387 PolarHBondContact O-N 2.82Å; A385-S401 PolarHBondContact O-OG 3.29Å; A385-D403 HydrophobicContact CB-CB 4.03Å
386A98.1Very high97.4Very high23 Ų2354.7 Ų54.719%0.1927%0.274CS..  trans-47.8133.1179.600000112.2L345 K359 S401 G402L345-A386 HydrophobicContact CD1-CB 4.06Å; K359-A386 HydrophobicContact CB-CB 4.37Å; K359-A386 HydrophobicContact CG-CB 4.04Å; A386-S401 VanDerWaalsContact O-CA 3.29Å; A386-S401 WeakPolarHBondContact O-CA 3.35Å; A386-S401 WeakPolarHBondContact O-CB 3.48Å; A386-S401 PolarHBondContact O-OG 2.76Å; A386-G402 PolarHBondContact O-N 2.87Å
387V98.6Very high97.4Very high0 Ų051.3 Ų51.30%026%0.256CS..EExtended strand (participates in β ladder)trans-90.1106.6176.6-173.60000107.8L345 C357 S358 I363 H383 A385L345-V387 WeakPolarHBondContact CD1-O 3.36Å; C357-V387 HydrophobicContact CB-CB 3.84Å; C357-V387 HydrophobicContact CB-CG1 3.57Å; C357-V387 PolarHBondContact SG-O 2.88Å; S358-V387 PolarHBondContact O-N 3.33Å; I363-V387 HydrophobicContact CD1-CG1 4.34Å; I363-V387 HydrophobicContact CG1-CG1 4.07Å; I363-V387 HydrophobicContact CG1-CG2 4.26Å; H383-V387 HydrophobicContact CB-CG2 3.78Å; A385-V387 PolarHBondContact O-N 2.82Å
388N98.4Very high97.6Very high47 Ų4746.3 Ų46.325%0.25124%0.237SC..EExtended strand (participates in β ladder)trans-83.9-27.1-168.4-67.4-36.3000113A400 I427N388-A400 PolarHBondContact N-O 2.93Å; N388-I427 WeakPolarHBondContact CB-O 3.4Å; N388-I427 PolarHBondContact ND2-O 2.76Å
389V98.3Very high97.6Very high2 Ų240.8 Ų40.81%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-151.7143.5-176.959.30000110.5A400 L430V389-A400 HydrophobicContact CG1-CB 3.7Å; V389-A400 PolarHBondContact N-O 2.79Å; V389-A400 PolarHBondContact O-N 2.9Å; V389-L430 HydrophobicContact CB-CB 4.44Å; V389-L430 HydrophobicContact CG1-CB 3.51Å; V389-L430 HydrophobicContact CG2-CB 4.05Å
390V98.4Very high97.7Very high0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-13714017368.30000109.5H346 V355 C357 I363 I397 V398H346-V390 PolarHBondContact CE1-O 2.9Å; H346-V390 PolarHBondContact ND1-O 2.79Å; H346-V390 VanDerWaalsContact ND1-O 3.08Å; V355-V390 HydrophobicContact CB-CG2 4.34Å; V355-V390 HydrophobicContact CG1-CB 4.45Å; V355-V390 HydrophobicContact CG1-CG1 4.15Å; V355-V390 HydrophobicContact CG1-CG2 3.53Å; C357-V390 HydrophobicContact CB-CB 4.14Å; C357-V390 HydrophobicContact CB-CG1 4.04Å; I363-V390 HydrophobicContact CG2-CG2 4.38Å; V390-I397 HydrophobicContact CG2-CG2 3.8Å; V390-V398 WeakPolarHBondContact CA-O 3.37Å
391D98.5Very high97.7Very high8 Ų837.4 Ų37.44%0.04320%0.196CC..EExtended strand (participates in β ladder)trans-140.8156176.1-157-11.5000108.3R348 V398 L430 Q431 Y432R348-D391 WeakPolarHBondContact CD-OD1 3.09Å; R348-D391 IonicContact CZ-OD1 3.28Å; R348-D391 IonicContact NE-OD1 3.21Å; R348-D391 PolarHBondContact NE-OD1 2.91Å; D391-V398 PolarHBondContact N-O 3.33Å; D391-V398 PolarHBondContact O-N 2.81Å; D391-L430 HydrophobicContact CB-CD2 3.99Å; D391-Q431 WeakPolarHBondContact OD2-CA 3.33Å; D391-Y432 PolarHBondContact OD2-N 3.37Å
392F97.9Very high97.8Very high9 Ų933.6 Ų33.64%0.03918%0.179CC..EExtended strand (participates in β ladder)trans-157.7158.118077.2-88.5000112.6R348 L353 V355 Y396 I397 T411R348-F392 HydrophobicContact CB-CD1 4Å; R348-F392 HydrophobicContact CB-CE1 3.89Å; R348-F392 HydrophobicContact CG-CD1 3.87Å; R348-F392 HydrophobicContact CG-CE1 3.62Å; R348-F392 PolarHBondContact NE-O 2.88Å; R348-F392 WeakPolarHBondContact O-CE1 3.39Å; L353-F392 HydrophobicContact CB-CE2 4.22Å; L353-F392 HydrophobicContact CB-CZ 4.22Å; L353-F392 HydrophobicContact CD2-CD2 4.21Å; L353-F392 HydrophobicContact CD2-CE2 3.89Å; L353-F392 HydrophobicContact CD2-CZ 4.36Å; L353-F392 HydrophobicContact CG-CE2 4.48Å; L353-F392 WeakPolarHBondContact O-CZ 3.37Å; V355-F392 HydrophobicContact CB-CD1 4.11Å; V355-F392 HydrophobicContact CB-CE1 4.37Å; V355-F392 HydrophobicContact CG2-CD1 3.65Å; V355-F392 HydrophobicContact CG2-CE1 3.91Å; V355-F392 HydrophobicContact CG2-CG 4.15Å; F392-Y396 VanDerWaalsContact CA-O 3.26Å; F392-Y396 WeakPolarHBondContact CA-O 3.37Å; F392-Y396 WeakPolarHBondContact CB-O 3.25Å; F392-I397 HydrophobicContact CB-CB 4.24Å; F392-I397 HydrophobicContact CB-CG1 3.88Å; F392-I397 HydrophobicContact CB-CG2 4.45Å; F392-T411 HydrophobicContact CD2-CG2 4.5Å
393D96.8Very high98Very high46 Ų4633.4 Ų33.425%0.24617%0.17CC..  trans-130.1-171.1164.270.45.6000110K395 Y396 T411 Y432D393-K395 PolarHBondContact O-N 2.95Å; D393-K395 VanDerWaalsContact O-N 3.11Å; D393-K395 WeakPolarHBondContact OD1-CA 3.31Å; D393-K395 WeakPolarHBondContact OD1-CB 3.16Å; D393-K395 PolarHBondContact OD1-N 2.74Å; D393-Y396 PolarHBondContact N-O 3.29Å; D393-Y396 VanDerWaalsContact N-O 3.08Å; D393-Y396 PolarHBondContact OD1-N 3.01Å; D393-T411 WeakPolarHBondContact O-CB 3.45Å; D393-T411 WeakPolarHBondContact O-CG2 3.21Å; D393-T411 PolarHBondContact O-OG1 3Å; D393-Y432 HydrophobicContact CB-CE1 4Å; D393-Y432 VanDerWaalsContact CG-OH 3.3Å; D393-Y432 WeakPolarHBondContact OD1-CE1 3.47Å; D393-Y432 PolarHBondContact OD1-OH 2.81Å; D393-Y432 VanDerWaalsContact OD2-CE1 3.27Å; D393-Y432 WeakPolarHBondContact OD2-CE1 3.22Å; D393-Y432 PolarHBondContact OD2-OH 2.86Å
394D95.2Very high98Very high126 Ų12639.1 Ų39.167%0.67419%0.191SC*.SBendtrans-61.4-20-179.5-59.9-28.6000113.5
395K96.8Very high98.1Very high103 Ų10330 Ų3045%0.44816%0.159SC..SBendtrans-101.4-50.2-174.6-169.8177.2-175.3-177.70112.7D393 T411 E452D393-K395 PolarHBondContact O-N 2.95Å; D393-K395 VanDerWaalsContact O-N 3.11Å; D393-K395 WeakPolarHBondContact OD1-CA 3.31Å; D393-K395 WeakPolarHBondContact OD1-CB 3.16Å; D393-K395 PolarHBondContact OD1-N 2.74Å; K395-T411 VanDerWaalsContact C-OG1 3.26Å; K395-T411 PolarHBondContact O-N 2.87Å; K395-T411 PolarHBondContact O-OG1 3.08Å; K395-E452 IonicContact NZ-OE1 2.97Å; K395-E452 PolarHBondContact NZ-OE1 2.89Å; K395-E452 IonicContact NZ-OE2 2.87Å
396Y98.4Very high98.1Very high20 Ų2028.6 Ų28.68%0.07815%0.148CC..EExtended strand (participates in β ladder)trans-130.8141.5-172.5-61.3-57.2000113.3F392 D393 V408 W409 T411 V417 I451 E452F392-Y396 VanDerWaalsContact CA-O 3.26Å; F392-Y396 WeakPolarHBondContact CA-O 3.37Å; F392-Y396 WeakPolarHBondContact CB-O 3.25Å; D393-Y396 PolarHBondContact N-O 3.29Å; D393-Y396 VanDerWaalsContact N-O 3.08Å; D393-Y396 PolarHBondContact OD1-N 3.01Å; Y396-V408 HydrophobicContact CD1-CG1 3.63Å; Y396-V408 HydrophobicContact CD2-CG1 4.45Å; Y396-V408 HydrophobicContact CE1-CG1 4.22Å; Y396-V408 HydrophobicContact CG-CG1 3.76Å; Y396-W409 CarbonylContact C-O 3.51Å; Y396-W409 VanDerWaalsContact CA-O 3.24Å; Y396-W409 WeakPolarHBondContact CA-O 3.39Å; Y396-T411 WeakPolarHBondContact CA-OG1 3.26Å; Y396-T411 PolarHBondContact N-OG1 3.22Å; Y396-T411 VanDerWaalsContact N-OG1 3.1Å; Y396-T411 PolarHBondContact O-OG1 3.16Å; Y396-V417 HydrophobicContact CD1-CG2 4.37Å; Y396-V417 HydrophobicContact CE1-CG1 4.24Å; Y396-V417 HydrophobicContact CE1-CG2 4.16Å; Y396-I451 HydrophobicContact CD2-CG1 3.63Å; Y396-I451 HydrophobicContact CD2-CG2 4.38Å; Y396-I451 HydrophobicContact CE2-CG1 3.96Å; Y396-I451 HydrophobicContact CE2-CG2 4.24Å; Y396-I451 HydrophobicContact CG-CG1 4.35Å; Y396-E452 PolarHBondContact OH-OE2 3.42Å
397I98.6Very high98.1Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-96.2127.9161.1-58168.4000107.2V355 V365 L380 V390 F392 V408 W409 T411V355-I397 HydrophobicContact CG1-CG2 4.07Å; V355-I397 HydrophobicContact CG2-CD1 4.13Å; V355-I397 HydrophobicContact CG2-CG1 4.38Å; V365-I397 HydrophobicContact CG2-CD1 3.88Å; L380-I397 HydrophobicContact CD1-CD1 4.38Å; V390-I397 HydrophobicContact CG2-CG2 3.8Å; F392-I397 HydrophobicContact CB-CB 4.24Å; F392-I397 HydrophobicContact CB-CG1 3.88Å; F392-I397 HydrophobicContact CB-CG2 4.45Å; I397-V408 WeakPolarHBondContact O-CA 3.38Å; I397-W409 HydrophobicContact CB-CB 4.24Å; I397-W409 PolarHBondContact N-O 2.91Å; I397-W409 PolarHBondContact O-N 3.46Å; I397-T411 HydrophobicContact CG1-CG2 4.4Å; I397-T411 PolarHBondContact N-OG1 3.17Å
398V98.8Very high98.1Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-117.8123.6-178.6-174.80000109.1V390 D391 I406 L430 Y432 V437 I451V390-V398 WeakPolarHBondContact CA-O 3.37Å; D391-V398 PolarHBondContact N-O 3.33Å; D391-V398 PolarHBondContact O-N 2.81Å; V398-I406 HydrophobicContact CG1-CG2 3.44Å; V398-I406 VanDerWaalsContact CG1-CG2 3.44Å; V398-L430 HydrophobicContact CB-CD2 4.32Å; V398-L430 HydrophobicContact CG1-CD1 3.77Å; V398-L430 HydrophobicContact CG1-CD2 3.84Å; V398-L430 HydrophobicContact CG1-CG 4.48Å; V398-Y432 HydrophobicContact CB-CD1 4.37Å; V398-Y432 HydrophobicContact CB-CG 4.32Å; V398-Y432 HydrophobicContact CG2-CD1 3.58Å; V398-Y432 HydrophobicContact CG2-CD2 4.1Å; V398-Y432 HydrophobicContact CG2-CE1 4.01Å; V398-Y432 HydrophobicContact CG2-CE2 4.49Å; V398-Y432 HydrophobicContact CG2-CG 3.63Å; V398-V437 HydrophobicContact CG1-CG1 4.31Å; V398-V437 HydrophobicContact CG1-CG2 4.27Å; V398-I451 HydrophobicContact CG2-CD1 3.79Å
399S98.6Very high98.1Very high0 Ų027.3 Ų27.30%014%0.135CC..EExtended strand (participates in β ladder)trans-127.3138.5-175.152.50000110.8I363 H383 I406 K407 W409I363-S399 WeakPolarHBondContact CD1-OG 3.46Å; H383-S399 PolarHBondContact NE2-OG 2.9Å; H383-S399 VanDerWaalsContact NE2-OG 3.1Å; S399-I406 CarbonylContact O-C 3.57Å; S399-I406 WeakPolarHBondContact O-CA 3.5Å; S399-I406 VanDerWaalsContact O-CG2 3.25Å; S399-I406 WeakPolarHBondContact O-CG2 3.48Å; S399-K407 PolarHBondContact N-O 2.92Å; S399-K407 PolarHBondContact O-N 3.25Å; S399-K407 PolarHBondContact OG-O 2.91Å; S399-K407 VanDerWaalsContact OG-O 3.05Å; S399-W409 PolarHBondContact OG-NE1 2.68Å
400A98.6Very high98.1Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-130.4141.6177.600000112.3N388 V389 I406 I427 L430N388-A400 PolarHBondContact N-O 2.93Å; V389-A400 HydrophobicContact CG1-CB 3.7Å; V389-A400 PolarHBondContact N-O 2.79Å; V389-A400 PolarHBondContact O-N 2.9Å; A400-I406 HydrophobicContact CB-CG1 4.04Å; A400-I406 HydrophobicContact CB-CG2 4.49Å; A400-I427 HydrophobicContact CB-CB 3.9Å; A400-I427 HydrophobicContact CB-CD1 4.1Å; A400-I427 HydrophobicContact CB-CG2 3.61Å; A400-L430 HydrophobicContact CB-CB 4.48Å; A400-L430 HydrophobicContact CB-CD1 3.85Å
401S98.5Very high98Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-131.6162.5-166.2171.80000113.1H383 A385 A386 D403 R404 T405 I427H383-S401 WeakPolarHBondContact ND1-CB 3.44Å; A385-S401 PolarHBondContact O-OG 3.29Å; A386-S401 VanDerWaalsContact O-CA 3.29Å; A386-S401 WeakPolarHBondContact O-CA 3.35Å; A386-S401 WeakPolarHBondContact O-CB 3.48Å; A386-S401 PolarHBondContact O-OG 2.76Å; S401-D403 WeakPolarHBondContact CB-OD1 3.35Å; S401-D403 PolarHBondContact O-N 2.78Å; S401-D403 VanDerWaalsContact O-N 3.15Å; S401-D403 PolarHBondContact OG-N 3.37Å; S401-D403 VanDerWaalsContact OG-N 3.13Å; S401-R404 PolarHBondContact O-N 2.88Å; S401-T405 PolarHBondContact N-O 2.85Å; S401-I427 PolarHBondContact O-N 3.11Å; S401-I427 VanDerWaalsContact O-N 3.09Å
402G98.1Very high97.9Very high30 Ų3032 Ų3231%0.30917%0.168SC..THydrogen-bonded Turntrans-58.2-14.6165.300000113.9A386 R404A386-G402 PolarHBondContact O-N 2.87Å; G402-R404 PolarHBondContact O-N 2.81Å
403D97.9Very high97.8Very high32 Ų3234.7 Ų34.717%0.17119%0.185CC..THydrogen-bonded Turntrans-75.65.1175.672.912.1000114.2H383 R384 A385 S401 T405H383-D403 WeakPolarHBondContact CA-OD2 3.28Å; H383-D403 IonicContact CE1-OD1 2.77Å; H383-D403 IonicContact CG-OD2 3.32Å; H383-D403 IonicContact ND1-OD1 2.77Å; H383-D403 PolarHBondContact ND1-OD1 3.22Å; H383-D403 IonicContact ND1-OD2 2.96Å; H383-D403 PolarHBondContact ND1-OD2 2.85Å; R384-D403 HydrophobicContact CB-CB 4.06Å; R384-D403 PolarHBondContact N-OD2 2.9Å; A385-D403 HydrophobicContact CB-CB 4.03Å; S401-D403 WeakPolarHBondContact CB-OD1 3.35Å; S401-D403 PolarHBondContact O-N 2.78Å; S401-D403 VanDerWaalsContact O-N 3.15Å; S401-D403 PolarHBondContact OG-N 3.37Å; S401-D403 VanDerWaalsContact OG-N 3.13Å; D403-T405 VanDerWaalsContact CG-OG1 3.32Å; D403-T405 PolarHBondContact O-N 2.93Å; D403-T405 WeakPolarHBondContact OD1-CB 3.4Å; D403-T405 PolarHBondContact OD1-N 3.07Å; D403-T405 PolarHBondContact OD1-OG1 3.41Å; D403-T405 PolarHBondContact OD2-OG1 2.87Å
404R98.3Very high97.8Very high132 Ų13232.8 Ų32.850%0.49818%0.176SC..SBendtrans74.77.8176.7-37.9176.7-176.2171.13.8114S401 G402 K424 R425S401-R404 PolarHBondContact O-N 2.88Å; G402-R404 PolarHBondContact O-N 2.81Å; R404-K424 WeakPolarHBondContact CD-O 3.46Å; R404-R425 WeakPolarHBondContact CB-O 3.23Å
405T98.3Very high97.9Very high23 Ų2332.5 Ų32.514%0.14117%0.17CC..EExtended strand (participates in β ladder)trans-113.3151-177.276.50000111.7S401 D403 T419 N421S401-T405 PolarHBondContact N-O 2.85Å; D403-T405 VanDerWaalsContact CG-OG1 3.32Å; D403-T405 PolarHBondContact O-N 2.93Å; D403-T405 WeakPolarHBondContact OD1-CB 3.4Å; D403-T405 PolarHBondContact OD1-N 3.07Å; D403-T405 PolarHBondContact OD1-OG1 3.41Å; D403-T405 PolarHBondContact OD2-OG1 2.87Å; T405-T419 HydrophobicContact CG2-CG2 4.14Å; T405-N421 WeakPolarHBondContact CG2-OD1 3.05Å
406I98.8Very high98Very high0 Ų032.5 Ų32.50%017%0.17CC..EExtended strand (participates in β ladder)trans-107.8130.1163.5-48.8169.8000107V398 S399 A400 T419 L420 I427 L430 V437V398-I406 HydrophobicContact CG1-CG2 3.44Å; V398-I406 VanDerWaalsContact CG1-CG2 3.44Å; S399-I406 CarbonylContact O-C 3.57Å; S399-I406 WeakPolarHBondContact O-CA 3.5Å; S399-I406 VanDerWaalsContact O-CG2 3.25Å; S399-I406 WeakPolarHBondContact O-CG2 3.48Å; A400-I406 HydrophobicContact CB-CG1 4.04Å; A400-I406 HydrophobicContact CB-CG2 4.49Å; I406-T419 CarbonylContact O-C 3.57Å; I406-T419 WeakPolarHBondContact O-CA 3.48Å; I406-L420 HydrophobicContact CB-CB 4.02Å; I406-L420 HydrophobicContact CB-CD1 3.95Å; I406-L420 HydrophobicContact CB-CG 4.38Å; I406-L420 HydrophobicContact CD1-CB 4.47Å; I406-L420 HydrophobicContact CD1-CD1 4.17Å; I406-L420 HydrophobicContact CG2-CD1 3.89Å; I406-L420 PolarHBondContact N-O 2.94Å; I406-L420 VanDerWaalsContact N-O 3.09Å; I406-L420 PolarHBondContact O-N 3.17Å; I406-I427 HydrophobicContact CD1-CD1 4.07Å; I406-I427 HydrophobicContact CG1-CD1 3.33Å; I406-L430 HydrophobicContact CD1-CD1 3.88Å; I406-L430 HydrophobicContact CG1-CD1 4.16Å; I406-L430 HydrophobicContact CG2-CD1 3.7Å; I406-V437 HydrophobicContact CD1-CG1 4.22Å
407K98.6Very high98Very high29 Ų2934.1 Ų34.113%0.12618%0.183CC..EExtended strand (participates in β ladder)trans-110.7137.1175.2-69.2-177.4177.1-69.40110.5G382 S399 W409 F416 T419G382-K407 VanDerWaalsContact O-CE 3.27Å; G382-K407 WeakPolarHBondContact O-CE 3.43Å; S399-K407 PolarHBondContact N-O 2.92Å; S399-K407 PolarHBondContact O-N 3.25Å; S399-K407 PolarHBondContact OG-O 2.91Å; S399-K407 VanDerWaalsContact OG-O 3.05Å; K407-W409 HydrophobicContact CB-CZ2 3.89Å; K407-W409 HydrophobicContact CD-CH2 4.28Å; K407-W409 HydrophobicContact CD-CZ2 3.71Å; K407-W409 HydrophobicContact CG-CZ2 4.45Å; K407-F416 HydrophobicContact CB-CE2 4.33Å; K407-F416 HydrophobicContact CD-CE2 4.3Å; K407-F416 HydrophobicContact CG-CE2 4.13Å; K407-T419 HydrophobicContact CG-CG2 4.45Å; K407-T419 PolarHBondContact NZ-OG1 3.41Å; K407-T419 VanDerWaalsContact NZ-OG1 3.12Å
408V98.6Very high97.9Very high0 Ų037.1 Ų37.10%019%0.194CC..EExtended strand (participates in β ladder)trans-109.8130.1178.2-174.80000108Y396 I397 V417 R418 L420 I451Y396-V408 HydrophobicContact CD1-CG1 3.63Å; Y396-V408 HydrophobicContact CD2-CG1 4.45Å; Y396-V408 HydrophobicContact CE1-CG1 4.22Å; Y396-V408 HydrophobicContact CG-CG1 3.76Å; I397-V408 WeakPolarHBondContact O-CA 3.38Å; V408-V417 HydrophobicContact CB-CB 4.45Å; V408-V417 HydrophobicContact CG1-CB 4.28Å; V408-V417 WeakPolarHBondContact O-CB 3.49Å; V408-V417 PolarHBondContact O-N 3.41Å; V408-R418 HydrophobicContact CB-CG 3.81Å; V408-R418 HydrophobicContact CG2-CG 3.83Å; V408-R418 PolarHBondContact N-O 3.31Å; V408-R418 PolarHBondContact O-N 2.96Å; V408-L420 HydrophobicContact CG2-CD1 4.23Å; V408-L420 HydrophobicContact CG2-CG 4.45Å; V408-I451 HydrophobicContact CB-CD1 4.3Å; V408-I451 HydrophobicContact CG1-CD1 3.82Å; V408-I451 HydrophobicContact CG1-CG1 4.36Å; V408-I451 HydrophobicContact CG2-CD1 3.44Å; V408-I451 VanDerWaalsContact CG2-CD1 3.44Å
409W98.5Very high97.9Very high14 Ų1439.1 Ų39.15%0.05321%0.206CC..EExtended strand (participates in β ladder)trans-126.3151.1179.9-40.481.6000108.8I363 L380 Y396 I397 S399 K407 E415 F416I363-W409 HydrophobicContact CD1-CZ2 4.42Å; L380-W409 HydrophobicContact CB-CD2 4.39Å; L380-W409 HydrophobicContact CB-CE3 4.27Å; L380-W409 HydrophobicContact CB-CH2 4.28Å; L380-W409 HydrophobicContact CB-CZ2 4.38Å; L380-W409 HydrophobicContact CB-CZ3 4.21Å; L380-W409 HydrophobicContact CD1-CB 4.19Å; L380-W409 HydrophobicContact CD1-CD2 3.93Å; L380-W409 HydrophobicContact CD1-CE3 4.34Å; L380-W409 HydrophobicContact CD1-CG 3.84Å; Y396-W409 CarbonylContact C-O 3.51Å; Y396-W409 VanDerWaalsContact CA-O 3.24Å; Y396-W409 WeakPolarHBondContact CA-O 3.39Å; I397-W409 HydrophobicContact CB-CB 4.24Å; I397-W409 PolarHBondContact N-O 2.91Å; I397-W409 PolarHBondContact O-N 3.46Å; S399-W409 PolarHBondContact OG-NE1 2.68Å; K407-W409 HydrophobicContact CB-CZ2 3.89Å; K407-W409 HydrophobicContact CD-CH2 4.28Å; K407-W409 HydrophobicContact CD-CZ2 3.71Å; K407-W409 HydrophobicContact CG-CZ2 4.45Å; W409-E415 CarbonylContact C-O 3.54Å; W409-E415 WeakPolarHBondContact CA-O 3.25Å; W409-F416 HydrophobicContact CE3-CB 3.73Å; W409-F416 HydrophobicContact CE3-CD2 4.26Å; W409-F416 HydrophobicContact CH2-CD2 4.3Å; W409-F416 HydrophobicContact CZ3-CB 3.7Å; W409-F416 HydrophobicContact CZ3-CD2 4.14Å; W409-F416 HydrophobicContact CZ3-CG 4.39Å
410S98.1Very high97.9Very high22 Ų2239.3 Ų39.315%0.15421%0.207CC..EExtended strand (participates in β ladder)trans-74.4130.5173176.80000110.3S412 T413 C414 E415S410-S412 VanDerWaalsContact C-N 3.34Å; S410-S412 PolarHBondContact OG-OG 2.92Å; S410-T413 WeakPolarHBondContact CB-OG1 3.47Å; S410-T413 PolarHBondContact OG-OG1 3.41Å; S410-C414 WeakPolarHBondContact O-CA 3.45Å; S410-C414 PolarHBondContact O-N 2.78Å; S410-E415 PolarHBondContact N-O 3.14Å
411T96.8Very high97.8Very high11 Ų1144.3 Ų44.37%0.06723%0.234CC..THydrogen-bonded Turntrans-66.4-37.2177.7-54.30000111.7L353 F392 D393 K395 Y396 I397L353-T411 HydrophobicContact CD2-CG2 3.56Å; F392-T411 HydrophobicContact CD2-CG2 4.5Å; D393-T411 WeakPolarHBondContact O-CB 3.45Å; D393-T411 WeakPolarHBondContact O-CG2 3.21Å; D393-T411 PolarHBondContact O-OG1 3Å; K395-T411 VanDerWaalsContact C-OG1 3.26Å; K395-T411 PolarHBondContact O-N 2.87Å; K395-T411 PolarHBondContact O-OG1 3.08Å; Y396-T411 WeakPolarHBondContact CA-OG1 3.26Å; Y396-T411 PolarHBondContact N-OG1 3.22Å; Y396-T411 VanDerWaalsContact N-OG1 3.1Å; Y396-T411 PolarHBondContact O-OG1 3.16Å; I397-T411 HydrophobicContact CG1-CG2 4.4Å; I397-T411 PolarHBondContact N-OG1 3.17Å
412S95.6Very high97.7Very high76 Ų7645.9 Ų45.953%0.53125%0.25SC..THydrogen-bonded Turntrans-73.8-46.3-177.260.10000112.7R377 S410R377-S412 PolarHBondContact NH2-O 3.34Å; S410-S412 VanDerWaalsContact C-N 3.34Å; S410-S412 PolarHBondContact OG-OG 2.92Å
413T96.4Very high97.7Very high64 Ų6445 Ų4539%0.39324%0.238SC..THydrogen-bonded Turntrans-99.2-13.3-175.667.60000114R378 S410 E415R378-T413 PolarHBondContact NH2-O 3.29Å; S410-T413 WeakPolarHBondContact CB-OG1 3.47Å; S410-T413 PolarHBondContact OG-OG1 3.41Å; T413-E415 PolarHBondContact O-N 3.27Å; T413-E415 WeakPolarHBondContact OG1-CB 3.28Å; T413-E415 WeakPolarHBondContact OG1-CG 2.91Å; T413-E415 PolarHBondContact OG1-N 3.43Å
414C97.2Very high97.7Very high7 Ų751 Ų515%0.04726%0.262CS..  trans57.727.9-172.2-68.60000113R378 L380 S410R378-C414 HydrophobicContact CB-CB 4.1Å; R378-C414 HydrophobicContact CG-CB 3.9Å; L380-C414 HydrophobicContact CD2-CB 3.73Å; S410-C414 WeakPolarHBondContact O-CA 3.45Å; S410-C414 PolarHBondContact O-N 2.78Å
415E97.2Very high97.7Very high120 Ų12051.8 Ų51.856%0.56127%0.265SS*.  trans-94.1149.6177-67.3-171141.200112W409 S410 T413 V417W409-E415 CarbonylContact C-O 3.54Å; W409-E415 WeakPolarHBondContact CA-O 3.25Å; S410-E415 PolarHBondContact N-O 3.14Å; T413-E415 PolarHBondContact O-N 3.27Å; T413-E415 WeakPolarHBondContact OG1-CB 3.28Å; T413-E415 WeakPolarHBondContact OG1-CG 2.91Å; T413-E415 PolarHBondContact OG1-N 3.43Å; E415-V417 PolarHBondContact O-N 2.67Å
416F98.3Very high97.7Very high102 Ų10251.3 Ų51.345%0.44727%0.265SS..EExtended strand (participates in β ladder)trans-68.9129.4175.9172.5-99.4000110.8K407 W409 R418 T419K407-F416 HydrophobicContact CB-CE2 4.33Å; K407-F416 HydrophobicContact CD-CE2 4.3Å; K407-F416 HydrophobicContact CG-CE2 4.13Å; W409-F416 HydrophobicContact CE3-CB 3.73Å; W409-F416 HydrophobicContact CE3-CD2 4.26Å; W409-F416 HydrophobicContact CH2-CD2 4.3Å; W409-F416 HydrophobicContact CZ3-CB 3.7Å; W409-F416 HydrophobicContact CZ3-CD2 4.14Å; W409-F416 HydrophobicContact CZ3-CG 4.39Å; F416-R418 VanDerWaalsContact CE2-C 3.47Å; F416-R418 WeakPolarHBondContact CE2-O 3.37Å; F416-T419 VanDerWaalsContact CE2-OG1 3.3Å; F416-T419 WeakPolarHBondContact CE2-OG1 3.45Å; F416-T419 WeakPolarHBondContact CZ-OG1 3.28Å
417V98.1Very high97.6Very high55 Ų5551.4 Ų51.433%0.33327%0.265SS..EExtended strand (participates in β ladder)trans-103.5-55.6-179.7-179.50000110.8Y396 V408 E415Y396-V417 HydrophobicContact CD1-CG2 4.37Å; Y396-V417 HydrophobicContact CE1-CG1 4.24Å; Y396-V417 HydrophobicContact CE1-CG2 4.16Å; V408-V417 HydrophobicContact CB-CB 4.45Å; V408-V417 HydrophobicContact CG1-CB 4.28Å; V408-V417 WeakPolarHBondContact O-CB 3.49Å; V408-V417 PolarHBondContact O-N 3.41Å; E415-V417 PolarHBondContact O-N 2.67Å
418R97.8Very high97.6Very high62 Ų6250.5 Ų50.523%0.23426%0.264CS..EExtended strand (participates in β ladder)trans-161166.2-17662.1-177.469.791.72.7113V408 F416 I451 E452V408-R418 HydrophobicContact CB-CG 3.81Å; V408-R418 HydrophobicContact CG2-CG 3.83Å; V408-R418 PolarHBondContact N-O 3.31Å; V408-R418 PolarHBondContact O-N 2.96Å; F416-R418 VanDerWaalsContact CE2-C 3.47Å; F416-R418 WeakPolarHBondContact CE2-O 3.37Å; R418-I451 PolarHBondContact NH1-O 2.84Å; R418-E452 PolarHBondContact NE-O 3.48Å; R418-E452 PolarHBondContact NH2-O 3.42Å; R418-E452 VanDerWaalsContact NH2-O 3.15Å
419T98.3Very high97.6Very high43 Ų4350.6 Ų50.626%0.26426%0.264SS..EExtended strand (participates in β ladder)trans-118.5127.2171.4-61.50000109.8T405 I406 K407 F416 N421T405-T419 HydrophobicContact CG2-CG2 4.14Å; I406-T419 CarbonylContact O-C 3.57Å; I406-T419 WeakPolarHBondContact O-CA 3.48Å; K407-T419 HydrophobicContact CG-CG2 4.45Å; K407-T419 PolarHBondContact NZ-OG1 3.41Å; K407-T419 VanDerWaalsContact NZ-OG1 3.12Å; F416-T419 VanDerWaalsContact CE2-OG1 3.3Å; F416-T419 WeakPolarHBondContact CE2-OG1 3.45Å; F416-T419 WeakPolarHBondContact CZ-OG1 3.28Å; T419-N421 VanDerWaalsContact CG2-OD1 3.28Å; T419-N421 WeakPolarHBondContact CG2-OD1 3.39Å
420L98.1Very high97.6Very high3 Ų350.2 Ų50.22%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-90.9115.3170.4-49159.3000108.1I406 V408 W449 G454I406-L420 HydrophobicContact CB-CB 4.02Å; I406-L420 HydrophobicContact CB-CD1 3.95Å; I406-L420 HydrophobicContact CB-CG 4.38Å; I406-L420 HydrophobicContact CD1-CB 4.47Å; I406-L420 HydrophobicContact CD1-CD1 4.17Å; I406-L420 HydrophobicContact CG2-CD1 3.89Å; I406-L420 PolarHBondContact N-O 2.94Å; I406-L420 VanDerWaalsContact N-O 3.09Å; I406-L420 PolarHBondContact O-N 3.17Å; V408-L420 HydrophobicContact CG2-CD1 4.23Å; V408-L420 HydrophobicContact CG2-CG 4.45Å; L420-W449 HydrophobicContact CB-CD2 4.38Å; L420-W449 HydrophobicContact CB-CE3 4.14Å; L420-W449 HydrophobicContact CB-CZ3 4.34Å; L420-W449 HydrophobicContact CD1-CB 4.29Å; L420-W449 HydrophobicContact CD1-CG 4.36Å; L420-W449 HydrophobicContact CD2-CB 4.49Å; L420-W449 HydrophobicContact CD2-CE3 4.36Å; L420-G454 WeakPolarHBondContact CD2-O 3.21Å
421N96.4Very high97.6Very high105 Ų10549.8 Ų49.856%0.56126%0.259SS*.EExtended strand (participates in β ladder)trans-113.5145.2179.8-72.1-37.1000110.3T405 T419 W449T405-N421 WeakPolarHBondContact CG2-OD1 3.05Å; T419-N421 VanDerWaalsContact CG2-OD1 3.28Å; T419-N421 WeakPolarHBondContact CG2-OD1 3.39Å; N421-W449 WeakPolarHBondContact O-CH2 3.21Å; N421-W449 WeakPolarHBondContact O-CZ3 3.42Å
422G96.1Very high97.7Very high33 Ų3349.7 Ų49.734%0.3426%0.257SS..  trans156.6-22.5170.700000114.5R447G422-R447 VanDerWaalsContact C-CZ 3.44Å; G422-R447 PolarHBondContact O-NH1 3.49Å; G422-R447 PolarHBondContact O-NH2 2.81Å
423H98.1Very high97.7Very high12 Ų1249.9 Ų49.96%0.05625%0.246CC..  trans-62.9140.9169.4-83.4-63000111.2I427 S439 S441 D443 R447 W449H423-I427 HydrophobicContact CB-CD1 4.43Å; H423-I427 HydrophobicContact CB-CG1 4.18Å; H423-S439 PolarHBondContact NE2-OG 2.98Å; H423-S441 WeakPolarHBondContact CE1-CB 3.45Å; H423-S441 WeakPolarHBondContact ND1-CB 3.47Å; H423-D443 WeakPolarHBondContact CA-OD2 3.25Å; H423-D443 WeakPolarHBondContact CB-OD2 3.45Å; H423-D443 IonicContact CG-OD2 3.59Å; H423-D443 IonicContact ND1-OD1 2.64Å; H423-D443 PolarHBondContact ND1-OD1 2.95Å; H423-D443 IonicContact ND1-OD2 2.62Å; H423-D443 PolarHBondContact ND1-OD2 2.99Å; H423-R447 VanDerWaalsContact CE1-CG 3.49Å; H423-R447 WeakPolarHBondContact CE1-CG 3.48Å; H423-W449 AromaticContact CD2-CZ2 3.94Å
424K97.8Very high97.6Very high157 Ų15752.4 Ų52.468%0.68326%0.257SS*.SBendtrans-87.3-17.8-177-63.8178.8-179.3172.70112.3R404 D443R404-K424 WeakPolarHBondContact CD-O 3.46Å; K424-D443 HydrophobicContact CB-CB 3.98Å; K424-D443 PolarHBondContact N-OD2 2.84Å
425R98.3Very high97.5Very high150 Ų15058.6 Ų58.657%0.56628%0.28SS*.SBendtrans-139177.9-179.2-57-71.3-96.7-135-6.4110.2R404 S441 D443R404-R425 WeakPolarHBondContact CB-O 3.23Å; R425-S441 PolarHBondContact O-OG 3.3Å; R425-D443 HydrophobicContact CB-CB 4.04Å; R425-D443 HydrophobicContact CG-CB 3.91Å
426G97.8Very high97.5Very high13 Ų1353.9 Ų53.913%0.13426%0.258CS..  trans-64.2142.2-176.700000112.4S441 S442G426-S441 PolarHBondContact O-OG 3.08Å; G426-S442 WeakPolarHBondContact O-CB 3.25Å; G426-S442 PolarHBondContact O-N 2.86Å; G426-S442 PolarHBondContact O-OG 2.89Å
427I98.6Very high97.5Very high1 Ų149 Ų491%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-88.7129-176.1-54.9173.3000108.7N388 A400 S401 I406 H423 G440N388-I427 WeakPolarHBondContact CB-O 3.4Å; N388-I427 PolarHBondContact ND2-O 2.76Å; A400-I427 HydrophobicContact CB-CB 3.9Å; A400-I427 HydrophobicContact CB-CD1 4.1Å; A400-I427 HydrophobicContact CB-CG2 3.61Å; S401-I427 PolarHBondContact O-N 3.11Å; S401-I427 VanDerWaalsContact O-N 3.09Å; I406-I427 HydrophobicContact CD1-CD1 4.07Å; I406-I427 HydrophobicContact CG1-CD1 3.33Å; H423-I427 HydrophobicContact CB-CD1 4.43Å; H423-I427 HydrophobicContact CB-CG1 4.18Å; I427-G440 WeakPolarHBondContact CG2-O 3.4Å
428A98.3Very high97.6Very high11 Ų1146.4 Ų46.49%0.09122%0.221CC..EExtended strand (participates in β ladder)trans-106.2-24.6-173.700000113.3G440 L466 R468A428-G440 PolarHBondContact N-O 3.09Å; A428-L466 HydrophobicContact CB-CD2 3.84Å; A428-L466 HydrophobicContact CB-CG 4.45Å; A428-R468 PolarHBondContact O-NH1 2.92Å
429C97.9Very high97.6Very high2 Ų243.5 Ų43.51%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-149.7155.117857.30000112.3S439 G440 V467 R468 C469 I470C429-S439 WeakPolarHBondContact O-CA 3.35Å; C429-G440 PolarHBondContact N-O 3.14Å; C429-G440 PolarHBondContact O-N 3.34Å; C429-V467 PolarHBondContact SG-O 2.8Å; C429-V467 VanDerWaalsContact SG-O 3.36Å; C429-R468 WeakPolarHBondContact CB-O 3.3Å; C429-C469 VanDerWaalsContact SG-C 3.54Å; C429-I470 HydrophobicContact CB-CG2 3.95Å; C429-I470 VanDerWaalsContact SG-CG2 3.56Å
430L98.5Very high97.6Very high6 Ų641.4 Ų41.43%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-155.2146.2-178-175.2146.6000109.1V389 D391 V398 A400 I406 V437 V438V389-L430 HydrophobicContact CB-CB 4.44Å; V389-L430 HydrophobicContact CG1-CB 3.51Å; V389-L430 HydrophobicContact CG2-CB 4.05Å; D391-L430 HydrophobicContact CB-CD2 3.99Å; V398-L430 HydrophobicContact CB-CD2 4.32Å; V398-L430 HydrophobicContact CG1-CD1 3.77Å; V398-L430 HydrophobicContact CG1-CD2 3.84Å; V398-L430 HydrophobicContact CG1-CG 4.48Å; A400-L430 HydrophobicContact CB-CB 4.48Å; A400-L430 HydrophobicContact CB-CD1 3.85Å; I406-L430 HydrophobicContact CD1-CD1 3.88Å; I406-L430 HydrophobicContact CG1-CD1 4.16Å; I406-L430 HydrophobicContact CG2-CD1 3.7Å; L430-V437 HydrophobicContact CD1-CG1 3.59Å; L430-V437 HydrophobicContact CD2-CG1 4.18Å; L430-V437 HydrophobicContact CG-CG1 3.82Å; L430-V438 CarbonylContact C-O 3.58Å; L430-V438 VanDerWaalsContact CA-O 3.3Å; L430-V438 WeakPolarHBondContact CA-O 3.45Å
431Q98.5Very high97.6Very high12 Ų1241.3 Ų41.36%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-131.1140.3158.8-179.3177.9-5.200108.7D391 V438 R471 F472D391-Q431 WeakPolarHBondContact OD2-CA 3.33Å; Q431-V438 PolarHBondContact N-O 3.37Å; Q431-V438 PolarHBondContact O-N 2.92Å; Q431-R471 VanDerWaalsContact CD-CZ 3.47Å; Q431-F472 HydrophobicContact CB-CD1 3.86Å; Q431-F472 HydrophobicContact CB-CE1 3.73Å; Q431-F472 HydrophobicContact CG-CD1 3.86Å; Q431-F472 HydrophobicContact CG-CE1 3.55Å; Q431-F472 HydrophobicContact CG-CZ 4.43Å; Q431-F472 PolarHBondContact NE2-O 2.78Å
432Y98.2Very high97.7Very high10 Ų1038.3 Ų38.34%0.03918%0.184CC..EExtended strand (participates in β ladder)trans-121.9129.3174.8167.9-123.9000109.2D391 D393 V398 D434 V437 I451D391-Y432 PolarHBondContact OD2-N 3.37Å; D393-Y432 HydrophobicContact CB-CE1 4Å; D393-Y432 VanDerWaalsContact CG-OH 3.3Å; D393-Y432 WeakPolarHBondContact OD1-CE1 3.47Å; D393-Y432 PolarHBondContact OD1-OH 2.81Å; D393-Y432 VanDerWaalsContact OD2-CE1 3.27Å; D393-Y432 WeakPolarHBondContact OD2-CE1 3.22Å; D393-Y432 PolarHBondContact OD2-OH 2.86Å; V398-Y432 HydrophobicContact CB-CD1 4.37Å; V398-Y432 HydrophobicContact CB-CG 4.32Å; V398-Y432 HydrophobicContact CG2-CD1 3.58Å; V398-Y432 HydrophobicContact CG2-CD2 4.1Å; V398-Y432 HydrophobicContact CG2-CE1 4.01Å; V398-Y432 HydrophobicContact CG2-CE2 4.49Å; V398-Y432 HydrophobicContact CG2-CG 3.63Å; Y432-D434 WeakPolarHBondContact CE2-O 3.3Å; Y432-D434 PolarHBondContact OH-O 2.94Å; Y432-V437 HydrophobicContact CD2-CG2 3.62Å; Y432-V437 HydrophobicContact CE2-CG2 4.38Å; Y432-V437 HydrophobicContact CG-CG2 4.31Å; Y432-I451 HydrophobicContact CE2-CB 3.99Å; Y432-I451 HydrophobicContact CE2-CD1 4.3Å; Y432-I451 HydrophobicContact CE2-CG1 3.86Å; Y432-I451 HydrophobicContact CE2-CG2 4.11Å
433R95.8Very high97.8Very high79 Ų7938 Ų3830%0.29818%0.175SC..EExtended strand (participates in β ladder)trans-154.3136.9173.4-171.7174.157.9131.17.2109.5R435 L436 F472 D473 N474R433-R435 PolarHBondContact O-N 3.39Å; R433-L436 PolarHBondContact N-O 3.4Å; R433-L436 VanDerWaalsContact N-O 3.11Å; R433-L436 PolarHBondContact O-N 3.03Å; R433-F472 HydrophobicContact CB-CE2 4.21Å; R433-F472 HydrophobicContact CB-CZ 3.76Å; R433-D473 PolarHBondContact NH2-O 2.99Å; R433-D473 VanDerWaalsContact NH2-O 3.11Å; R433-N474 VanDerWaalsContact CZ-OD1 3.27Å; R433-N474 PolarHBondContact NH1-OD1 2.95Å; R433-N474 PolarHBondContact NH2-OD1 3.31Å
434D93.9Very high97.8Very high117 Ų11739.8 Ų39.863%0.62619%0.185SC*.THydrogen-bonded Turntrans54.5-117.5-176.5-49.9-48000110.8Y432Y432-D434 WeakPolarHBondContact CE2-O 3.3Å; Y432-D434 PolarHBondContact OH-O 2.94Å
435R95.4Very high97.8Very high138 Ų13833.1 Ų33.152%0.52116%0.157SC..THydrogen-bonded Turntrans-97.5-6.7179.4-166.9169.7163.4167.2-5.4113.3R433 D450 I451 E452R433-R435 PolarHBondContact O-N 3.39Å; R435-D450 IonicContact CZ-OD1 2.83Å; R435-D450 IonicContact CZ-OD2 2.92Å; R435-D450 VanDerWaalsContact NE-CG 3.32Å; R435-D450 IonicContact NE-OD1 2.95Å; R435-D450 PolarHBondContact NE-OD1 3.27Å; R435-D450 IonicContact NE-OD2 2.82Å; R435-D450 PolarHBondContact NE-OD2 3.13Å; R435-D450 IonicContact NH2-OD1 3.5Å; R435-D450 PolarHBondContact NH2-OD1 3.34Å; R435-D450 IonicContact NH2-OD2 3.18Å; R435-D450 PolarHBondContact NH2-OD2 3.39Å; R435-I451 HydrophobicContact CB-CG2 4.45Å; R435-I451 HydrophobicContact CG-CG2 4.02Å; R435-I451 WeakPolarHBondContact O-CG2 3.23Å; R435-I451 PolarHBondContact O-N 2.99Å; R435-E452 HydrophobicContact CG-CG 4.25Å
436L98Very high97.8Very high21 Ų2126 Ų2611%0.1113%0.13CC..EExtended strand (participates in β ladder)trans-105128.5-168.2-173.367.6000111.6R433 V438 L448 L457 F472 L491 L495R433-L436 PolarHBondContact N-O 3.4Å; R433-L436 VanDerWaalsContact N-O 3.11Å; R433-L436 PolarHBondContact O-N 3.03Å; L436-V438 HydrophobicContact CD2-CG2 3.82Å; L436-V438 HydrophobicContact CG-CG2 3.91Å; L436-L448 HydrophobicContact CD1-CB 4.13Å; L436-L448 HydrophobicContact CD1-CD2 4.45Å; L436-L448 HydrophobicContact CD1-CG 4.34Å; L436-L457 HydrophobicContact CD1-CD1 4.16Å; L436-F472 HydrophobicContact CB-CE2 4.5Å; L436-F472 HydrophobicContact CB-CZ 4.32Å; L436-F472 HydrophobicContact CD2-CD2 4.28Å; L436-F472 HydrophobicContact CD2-CE2 3.87Å; L436-F472 HydrophobicContact CD2-CZ 4.17Å; L436-F472 HydrophobicContact CG-CZ 4.38Å; L436-L491 HydrophobicContact CD2-CD1 3.74Å; L436-L495 HydrophobicContact CD1-CD2 3.96Å; L436-L495 HydrophobicContact CD2-CD2 4.42Å
437V98.6Very high97.9Very high0 Ų027.1 Ų27.10%013%0.13CC..EExtended strand (participates in β ladder)trans-107.9129.5165.5179.30000108.5V398 I406 L430 Y432 L448 W449 I451V398-V437 HydrophobicContact CG1-CG1 4.31Å; V398-V437 HydrophobicContact CG1-CG2 4.27Å; I406-V437 HydrophobicContact CD1-CG1 4.22Å; L430-V437 HydrophobicContact CD1-CG1 3.59Å; L430-V437 HydrophobicContact CD2-CG1 4.18Å; L430-V437 HydrophobicContact CG-CG1 3.82Å; Y432-V437 HydrophobicContact CD2-CG2 3.62Å; Y432-V437 HydrophobicContact CE2-CG2 4.38Å; Y432-V437 HydrophobicContact CG-CG2 4.31Å; V437-L448 CarbonylContact O-C 3.5Å; V437-L448 WeakPolarHBondContact O-CA 3.33Å; V437-W449 HydrophobicContact CB-CB 4.17Å; V437-W449 PolarHBondContact N-O 2.82Å; V437-W449 PolarHBondContact O-N 2.82Å; V437-I451 HydrophobicContact CG2-CB 4.3Å; V437-I451 HydrophobicContact CG2-CD1 3.68Å; V437-I451 HydrophobicContact CG2-CG1 4.47Å
438V98.7Very high97.8Very high0 Ų027.1 Ų27.10%013%0.13CC..EExtended strand (participates in β ladder)trans-118.5121.6173.4-170.70000108.7L430 Q431 L436 I446 R447 L448 I470 F472 I477L430-V438 CarbonylContact C-O 3.58Å; L430-V438 VanDerWaalsContact CA-O 3.3Å; L430-V438 WeakPolarHBondContact CA-O 3.45Å; Q431-V438 PolarHBondContact N-O 3.37Å; Q431-V438 PolarHBondContact O-N 2.92Å; L436-V438 HydrophobicContact CD2-CG2 3.82Å; L436-V438 HydrophobicContact CG-CG2 3.91Å; V438-I446 HydrophobicContact CG1-CG2 3.63Å; V438-R447 WeakPolarHBondContact CA-O 3.08Å; V438-L448 HydrophobicContact CG1-CD1 4.19Å; V438-L448 HydrophobicContact CG2-CG 4.23Å; V438-I470 HydrophobicContact CG1-CD1 3.52Å; V438-I470 HydrophobicContact CG1-CG1 4.22Å; V438-F472 HydrophobicContact CB-CD1 3.91Å; V438-F472 HydrophobicContact CB-CE1 4.11Å; V438-F472 HydrophobicContact CG2-CD1 3.51Å; V438-F472 HydrophobicContact CG2-CE1 3.61Å; V438-F472 HydrophobicContact CG2-CG 4.03Å; V438-F472 HydrophobicContact CG2-CZ 4.21Å; V438-I477 HydrophobicContact CG1-CD1 4.23Å; V438-I477 HydrophobicContact CG1-CG2 4.24Å
439S98.5Very high97.9Very high0 Ų026.8 Ų26.80%013%0.127CC..EExtended strand (participates in β ladder)trans-125.1138.4-175.459.90000112.7H423 C429 I446 R447 W449H423-S439 PolarHBondContact NE2-OG 2.98Å; C429-S439 WeakPolarHBondContact O-CA 3.35Å; S439-I446 CarbonylContact O-C 3.54Å; S439-I446 VanDerWaalsContact O-CA 3.23Å; S439-I446 WeakPolarHBondContact O-CA 3.34Å; S439-R447 PolarHBondContact N-O 2.97Å; S439-R447 PolarHBondContact O-N 3.44Å; S439-W449 PolarHBondContact OG-NE1 3.03Å
440G98.4Very high97.9Very high0 Ų027.4 Ų27.40%013%0.13CC..EExtended strand (participates in β ladder)trans-113.2134.9174.400000111.6I427 A428 C429I427-G440 WeakPolarHBondContact CG2-O 3.4Å; A428-G440 PolarHBondContact N-O 3.09Å; C429-G440 PolarHBondContact N-O 3.14Å; C429-G440 PolarHBondContact O-N 3.34Å
441S98.4Very high97.8Very high0 Ų027.1 Ų27.10%013%0.128CC..EExtended strand (participates in β ladder)trans-127.1164.8-169.3170.90000113.2H423 R425 G426 D443 N444 T445 V467H423-S441 WeakPolarHBondContact CE1-CB 3.45Å; H423-S441 WeakPolarHBondContact ND1-CB 3.47Å; R425-S441 PolarHBondContact O-OG 3.3Å; G426-S441 PolarHBondContact O-OG 3.08Å; S441-D443 VanDerWaalsContact CB-OD1 3.23Å; S441-D443 WeakPolarHBondContact CB-OD1 3.47Å; S441-D443 PolarHBondContact O-N 2.77Å; S441-D443 PolarHBondContact OG-N 2.97Å; S441-D443 PolarHBondContact OG-OD1 2.86Å; S441-D443 PolarHBondContact OG-OD2 3.09Å; S441-D443 VanDerWaalsContact OG-OD2 3.1Å; S441-N444 PolarHBondContact O-N 3.31Å; S441-T445 PolarHBondContact N-O 3.3Å; S441-V467 PolarHBondContact O-N 3.36Å
442S98.3Very high97.7Very high42 Ų4229.4 Ų29.429%0.29414%0.139SC..THydrogen-bonded Turntrans-73.24.6171-42.30000113.2G426 N444 L466G426-S442 WeakPolarHBondContact O-CB 3.25Å; G426-S442 PolarHBondContact O-N 2.86Å; G426-S442 PolarHBondContact O-OG 2.89Å; S442-N444 VanDerWaalsContact C-N 3.28Å; S442-L466 WeakPolarHBondContact OG-CD1 3.48Å
443D97.6Very high97.6Very high27 Ų2733 Ų3314%0.14417%0.165CC..THydrogen-bonded Turntrans-92.510.3168.961.224.5000112.3H423 K424 R425 S441 T445H423-D443 WeakPolarHBondContact CA-OD2 3.25Å; H423-D443 WeakPolarHBondContact CB-OD2 3.45Å; H423-D443 IonicContact CG-OD2 3.59Å; H423-D443 IonicContact ND1-OD1 2.64Å; H423-D443 PolarHBondContact ND1-OD1 2.95Å; H423-D443 IonicContact ND1-OD2 2.62Å; H423-D443 PolarHBondContact ND1-OD2 2.99Å; K424-D443 HydrophobicContact CB-CB 3.98Å; K424-D443 PolarHBondContact N-OD2 2.84Å; R425-D443 HydrophobicContact CB-CB 4.04Å; R425-D443 HydrophobicContact CG-CB 3.91Å; S441-D443 VanDerWaalsContact CB-OD1 3.23Å; S441-D443 WeakPolarHBondContact CB-OD1 3.47Å; S441-D443 PolarHBondContact O-N 2.77Å; S441-D443 PolarHBondContact OG-N 2.97Å; S441-D443 PolarHBondContact OG-OD1 2.86Å; S441-D443 PolarHBondContact OG-OD2 3.09Å; S441-D443 VanDerWaalsContact OG-OD2 3.1Å; D443-T445 VanDerWaalsContact CG-OG1 3.31Å; D443-T445 PolarHBondContact O-N 3.4Å; D443-T445 WeakPolarHBondContact OD1-CB 3.3Å; D443-T445 PolarHBondContact OD1-N 3.34Å; D443-T445 PolarHBondContact OD1-OG1 3.22Å
444N98Very high97.5Very high50 Ų5030.2 Ų30.227%0.26716%0.16SC..SBendtrans65.69.3-179.9-51.4-5.4000114.2S441 S442 H463 E464 E465 L466S441-N444 PolarHBondContact O-N 3.31Å; S442-N444 VanDerWaalsContact C-N 3.28Å; N444-H463 WeakPolarHBondContact CB-O 3.48Å; N444-E464 VanDerWaalsContact ND2-C 3.3Å; N444-E464 PolarHBondContact ND2-O 2.58Å; N444-E465 PolarHBondContact OD1-O 3.44Å; N444-L466 PolarHBondContact OD1-N 2.91Å
445T98.1Very high97.7Very high17 Ų1726.8 Ų26.810%0.10415%0.148CC..  trans-105.3151.6178.772.80000112S441 D443 V459 L460 E461S441-T445 PolarHBondContact N-O 3.3Å; D443-T445 VanDerWaalsContact CG-OG1 3.31Å; D443-T445 PolarHBondContact O-N 3.4Å; D443-T445 WeakPolarHBondContact OD1-CB 3.3Å; D443-T445 PolarHBondContact OD1-N 3.34Å; D443-T445 PolarHBondContact OD1-OG1 3.22Å; T445-V459 HydrophobicContact CG2-CG1 4.1Å; T445-L460 WeakPolarHBondContact CA-O 3.44Å; T445-E461 HydrophobicContact CG2-CG 4.21Å
446I98.6Very high97.8Very high0 Ų022.5 Ų22.50%014%0.139CC..EExtended strand (participates in β ladder)trans-106.1139.2164.1-61.7161.9000107.7V438 S439 L448 V459 L460 V467 I470 W489V438-I446 HydrophobicContact CG1-CG2 3.63Å; S439-I446 CarbonylContact O-C 3.54Å; S439-I446 VanDerWaalsContact O-CA 3.23Å; S439-I446 WeakPolarHBondContact O-CA 3.34Å; I446-L448 HydrophobicContact CG2-CD1 4.28Å; I446-V459 CarbonylContact O-C 3.57Å; I446-V459 WeakPolarHBondContact O-CA 3.39Å; I446-L460 HydrophobicContact CB-CB 4.1Å; I446-L460 HydrophobicContact CB-CD1 4.24Å; I446-L460 HydrophobicContact CB-CG 4.44Å; I446-L460 HydrophobicContact CG2-CD1 4.06Å; I446-L460 PolarHBondContact N-O 2.96Å; I446-L460 PolarHBondContact O-N 2.85Å; I446-V467 HydrophobicContact CD1-CG1 4.25Å; I446-V467 HydrophobicContact CG1-CG1 3.97Å; I446-V467 HydrophobicContact CG1-CG2 4.16Å; I446-I470 HydrophobicContact CB-CD1 4.27Å; I446-I470 HydrophobicContact CD1-CD1 3.77Å; I446-I470 HydrophobicContact CG1-CD1 3.83Å; I446-I470 HydrophobicContact CG2-CD1 3.45Å; I446-I470 VanDerWaalsContact CG2-CD1 3.45Å; I446-W489 HydrophobicContact CD1-CZ2 4.22Å
447R98.5Very high97.7Very high37 Ų3725.3 Ų25.314%0.1415%0.154CC..EExtended strand (participates in β ladder)trans-124.2137.4176.4-68.6-176.3173.1-128-0.4111.4G422 H423 V438 S439 W449 R458 V459G422-R447 VanDerWaalsContact C-CZ 3.44Å; G422-R447 PolarHBondContact O-NH1 3.49Å; G422-R447 PolarHBondContact O-NH2 2.81Å; H423-R447 VanDerWaalsContact CE1-CG 3.49Å; H423-R447 WeakPolarHBondContact CE1-CG 3.48Å; V438-R447 WeakPolarHBondContact CA-O 3.08Å; S439-R447 PolarHBondContact N-O 2.97Å; S439-R447 PolarHBondContact O-N 3.44Å; R447-W449 HydrophobicContact CB-CD2 4.48Å; R447-W449 HydrophobicContact CB-CZ2 3.62Å; R447-W449 HydrophobicContact CG-CZ2 4.08Å; R447-W449 PolarHBondContact O-NE1 3.04Å; R447-R458 WeakPolarHBondContact CA-O 3.27Å; R447-V459 HydrophobicContact CG-CG1 4.35Å; R447-V459 HydrophobicContact CG-CG2 4.21Å
448L98.5Very high97.7Very high0 Ų027.6 Ų27.60%016%0.162CC..EExtended strand (participates in β ladder)trans-101.7132.2172.1-78.266.1000108L436 V437 V438 I446 C456 L457 R458 L460 I477 L491 A494 L495L436-L448 HydrophobicContact CD1-CB 4.13Å; L436-L448 HydrophobicContact CD1-CD2 4.45Å; L436-L448 HydrophobicContact CD1-CG 4.34Å; V437-L448 CarbonylContact O-C 3.5Å; V437-L448 WeakPolarHBondContact O-CA 3.33Å; V438-L448 HydrophobicContact CG1-CD1 4.19Å; V438-L448 HydrophobicContact CG2-CG 4.23Å; I446-L448 HydrophobicContact CG2-CD1 4.28Å; L448-C456 CarbonylContact O-C 3.55Å; L448-C456 WeakPolarHBondContact O-CA 3.33Å; L448-L457 HydrophobicContact CB-CB 4.35Å; L448-L457 PolarHBondContact O-N 3.33Å; L448-R458 HydrophobicContact CB-CB 4.28Å; L448-R458 HydrophobicContact CD2-CB 4.48Å; L448-R458 PolarHBondContact N-O 2.83Å; L448-L460 HydrophobicContact CD1-CD1 3.94Å; L448-L460 HydrophobicContact CD1-CG 4.16Å; L448-I477 HydrophobicContact CD1-CD1 3.92Å; L448-I477 HydrophobicContact CD2-CD1 4.24Å; L448-I477 HydrophobicContact CG-CD1 4.38Å; L448-L491 HydrophobicContact CD2-CD1 4.05Å; L448-A494 HydrophobicContact CD2-CB 3.91Å; L448-L495 HydrophobicContact CD2-CD2 3.94Å; L448-L495 HydrophobicContact CD2-CG 4.38Å
449W98.5Very high97.6Very high4 Ų430 Ų302%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-130.4144.2-177.4-42.681.4000111.4L420 N421 H423 V437 S439 R447 A455 C456L420-W449 HydrophobicContact CB-CD2 4.38Å; L420-W449 HydrophobicContact CB-CE3 4.14Å; L420-W449 HydrophobicContact CB-CZ3 4.34Å; L420-W449 HydrophobicContact CD1-CB 4.29Å; L420-W449 HydrophobicContact CD1-CG 4.36Å; L420-W449 HydrophobicContact CD2-CB 4.49Å; L420-W449 HydrophobicContact CD2-CE3 4.36Å; N421-W449 WeakPolarHBondContact O-CH2 3.21Å; N421-W449 WeakPolarHBondContact O-CZ3 3.42Å; H423-W449 AromaticContact CD2-CZ2 3.94Å; V437-W449 HydrophobicContact CB-CB 4.17Å; V437-W449 PolarHBondContact N-O 2.82Å; V437-W449 PolarHBondContact O-N 2.82Å; S439-W449 PolarHBondContact OG-NE1 3.03Å; R447-W449 HydrophobicContact CB-CD2 4.48Å; R447-W449 HydrophobicContact CB-CZ2 3.62Å; R447-W449 HydrophobicContact CG-CZ2 4.08Å; R447-W449 PolarHBondContact O-NE1 3.04Å; W449-A455 VanDerWaalsContact CA-O 3.3Å; W449-A455 WeakPolarHBondContact CA-O 3.47Å; W449-C456 HydrophobicContact CD2-CB 4.39Å; W449-C456 HydrophobicContact CE3-CB 3.65Å; W449-C456 HydrophobicContact CH2-CB 4.19Å; W449-C456 HydrophobicContact CZ3-CB 3.54Å
450D97.9Very high97.6Very high15 Ų1530.1 Ų30.18%0.0818%0.178CC..EExtended strand (participates in β ladder)trans-81119.8165.3-169.4-98000109.9R435 E452 C453 G454 A455 L457R435-D450 IonicContact CZ-OD1 2.83Å; R435-D450 IonicContact CZ-OD2 2.92Å; R435-D450 VanDerWaalsContact NE-CG 3.32Å; R435-D450 IonicContact NE-OD1 2.95Å; R435-D450 PolarHBondContact NE-OD1 3.27Å; R435-D450 IonicContact NE-OD2 2.82Å; R435-D450 PolarHBondContact NE-OD2 3.13Å; R435-D450 IonicContact NH2-OD1 3.5Å; R435-D450 PolarHBondContact NH2-OD1 3.34Å; R435-D450 IonicContact NH2-OD2 3.18Å; R435-D450 PolarHBondContact NH2-OD2 3.39Å; D450-E452 VanDerWaalsContact C-N 3.26Å; D450-E452 PolarHBondContact O-N 3.01Å; D450-E452 PolarHBondContact OD1-N 2.77Å; D450-C453 VanDerWaalsContact CB-SG 3.57Å; D450-C453 PolarHBondContact OD1-N 2.9Å; D450-C453 PolarHBondContact OD1-SG 3.05Å; D450-G454 WeakPolarHBondContact O-CA 3.4Å; D450-G454 PolarHBondContact O-N 3.05Å; D450-A455 PolarHBondContact N-O 3.21Å; D450-L457 HydrophobicContact CB-CD1 4.37Å; D450-L457 HydrophobicContact CB-CD2 4.23Å; D450-L457 HydrophobicContact CB-CG 4.34Å
451I97.4Very high97.4Very high0 Ų037.1 Ų37.10%021%0.211CC..THydrogen-bonded Turntrans-64.9-31.4-176.7-168.464.6000112.4Y396 V398 V408 R418 Y432 R435 V437Y396-I451 HydrophobicContact CD2-CG1 3.63Å; Y396-I451 HydrophobicContact CD2-CG2 4.38Å; Y396-I451 HydrophobicContact CE2-CG1 3.96Å; Y396-I451 HydrophobicContact CE2-CG2 4.24Å; Y396-I451 HydrophobicContact CG-CG1 4.35Å; V398-I451 HydrophobicContact CG2-CD1 3.79Å; V408-I451 HydrophobicContact CB-CD1 4.3Å; V408-I451 HydrophobicContact CG1-CD1 3.82Å; V408-I451 HydrophobicContact CG1-CG1 4.36Å; V408-I451 HydrophobicContact CG2-CD1 3.44Å; V408-I451 VanDerWaalsContact CG2-CD1 3.44Å; R418-I451 PolarHBondContact NH1-O 2.84Å; Y432-I451 HydrophobicContact CE2-CB 3.99Å; Y432-I451 HydrophobicContact CE2-CD1 4.3Å; Y432-I451 HydrophobicContact CE2-CG1 3.86Å; Y432-I451 HydrophobicContact CE2-CG2 4.11Å; R435-I451 HydrophobicContact CB-CG2 4.45Å; R435-I451 HydrophobicContact CG-CG2 4.02Å; R435-I451 WeakPolarHBondContact O-CG2 3.23Å; R435-I451 PolarHBondContact O-N 2.99Å; V437-I451 HydrophobicContact CG2-CB 4.3Å; V437-I451 HydrophobicContact CG2-CD1 3.68Å; V437-I451 HydrophobicContact CG2-CG1 4.47Å
452E96.3Very high97.2Very high60 Ų6039 Ų3928%0.2823%0.23SC..THydrogen-bonded Turntrans-79.7-52.7-172-61.5-62172.800112.7K395 Y396 R418 R435 D450K395-E452 IonicContact NZ-OE1 2.97Å; K395-E452 PolarHBondContact NZ-OE1 2.89Å; K395-E452 IonicContact NZ-OE2 2.87Å; Y396-E452 PolarHBondContact OH-OE2 3.42Å; R418-E452 PolarHBondContact NE-O 3.48Å; R418-E452 PolarHBondContact NH2-O 3.42Å; R418-E452 VanDerWaalsContact NH2-O 3.15Å; R435-E452 HydrophobicContact CG-CG 4.25Å; D450-E452 VanDerWaalsContact C-N 3.26Å; D450-E452 PolarHBondContact O-N 3.01Å; D450-E452 PolarHBondContact OD1-N 2.77Å
453C95.4Very high97.1Very high86 Ų8637.6 Ų37.658%0.58122%0.218SC*.THydrogen-bonded Turntrans-89.3-16.3178.870.30000112.9D450 A455D450-C453 VanDerWaalsContact CB-SG 3.57Å; D450-C453 PolarHBondContact OD1-N 2.9Å; D450-C453 PolarHBondContact OD1-SG 3.05Å; C453-A455 VanDerWaalsContact C-N 3.26Å; C453-A455 PolarHBondContact O-N 2.65Å; C453-A455 WeakPolarHBondContact SG-CB 3.32Å; C453-A455 PolarHBondContact SG-N 2.76Å
454G95.4Very high97Very high20 Ų2042.3 Ų42.321%0.20624%0.24CC..  trans73.114.6-177.700000115.3L420 D450L420-G454 WeakPolarHBondContact CD2-O 3.21Å; D450-G454 WeakPolarHBondContact O-CA 3.4Å; D450-G454 PolarHBondContact O-N 3.05Å
455A96.4Very high97Very high45 Ų4544.6 Ų44.637%0.37225%0.249SC..  trans-71.9140.9177.800000111.3W449 D450 C453 L457W449-A455 VanDerWaalsContact CA-O 3.3Å; W449-A455 WeakPolarHBondContact CA-O 3.47Å; D450-A455 PolarHBondContact N-O 3.21Å; C453-A455 VanDerWaalsContact C-N 3.26Å; C453-A455 PolarHBondContact O-N 2.65Å; C453-A455 WeakPolarHBondContact SG-CB 3.32Å; C453-A455 PolarHBondContact SG-N 2.76Å; A455-L457 PolarHBondContact O-N 2.82Å
456C97.4Very high97Very high49 Ų4945 Ų4533%0.33125%0.25SS..EExtended strand (participates in β ladder)trans-79.2108.4166.9-169.80000108.4L448 W449L448-C456 CarbonylContact O-C 3.55Å; L448-C456 WeakPolarHBondContact O-CA 3.33Å; W449-C456 HydrophobicContact CD2-CB 4.39Å; W449-C456 HydrophobicContact CE3-CB 3.65Å; W449-C456 HydrophobicContact CH2-CB 4.19Å; W449-C456 HydrophobicContact CZ3-CB 3.54Å
457L96.9Very high97Very high79 Ų7945 Ų4541%0.41425%0.25SS..EExtended strand (participates in β ladder)trans-74.3-41.8-178.1-59.4177.4000111.3L436 L448 D450 A455 L495L436-L457 HydrophobicContact CD1-CD1 4.16Å; L448-L457 HydrophobicContact CB-CB 4.35Å; L448-L457 PolarHBondContact O-N 3.33Å; D450-L457 HydrophobicContact CB-CD1 4.37Å; D450-L457 HydrophobicContact CB-CD2 4.23Å; D450-L457 HydrophobicContact CB-CG 4.34Å; A455-L457 PolarHBondContact O-N 2.82Å; L457-L495 HydrophobicContact CD1-CD2 4.08Å
458R97.5Very high97Very high48 Ų4845.8 Ų45.818%0.18125%0.253CS..EExtended strand (participates in β ladder)trans-152.8144.7-176.3-174.162.771173.712.4111.5R447 L448 L460 A494 D496 P497 A499 L504R447-R458 WeakPolarHBondContact CA-O 3.27Å; L448-R458 HydrophobicContact CB-CB 4.28Å; L448-R458 HydrophobicContact CD2-CB 4.48Å; L448-R458 PolarHBondContact N-O 2.83Å; R458-L460 HydrophobicContact CG-CD2 3.68Å; R458-L460 HydrophobicContact CG-CG 4.47Å; R458-A494 WeakPolarHBondContact CB-O 3.36Å; R458-A494 HydrophobicContact CG-CB 4.48Å; R458-A494 WeakPolarHBondContact CG-O 3.3Å; R458-A494 PolarHBondContact NE-O 2.91Å; R458-D496 PolarHBondContact NH2-O 2.77Å; R458-P497 PolarHBondContact NH2-O 3.18Å; R458-A499 PolarHBondContact NH2-O 3.45Å; R458-L504 HydrophobicContact CG-CD1 4.33Å
459V97.8Very high96.9Very high51 Ų5145.9 Ų45.931%0.30925%0.254SS..EExtended strand (participates in β ladder)trans-110.7125.5166.3-1730000107.6T445 I446 R447 E461T445-V459 HydrophobicContact CG2-CG1 4.1Å; I446-V459 CarbonylContact O-C 3.57Å; I446-V459 WeakPolarHBondContact O-CA 3.39Å; R447-V459 HydrophobicContact CG-CG1 4.35Å; R447-V459 HydrophobicContact CG-CG2 4.21Å; V459-E461 HydrophobicContact CG1-CG 4.25Å
460L97.4Very high96.9Very high3 Ų345.8 Ų45.82%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-102.6124173.7-47.1175000108.7T445 I446 L448 R458 I477 W489 A494 L504T445-L460 WeakPolarHBondContact CA-O 3.44Å; I446-L460 HydrophobicContact CB-CB 4.1Å; I446-L460 HydrophobicContact CB-CD1 4.24Å; I446-L460 HydrophobicContact CB-CG 4.44Å; I446-L460 HydrophobicContact CG2-CD1 4.06Å; I446-L460 PolarHBondContact N-O 2.96Å; I446-L460 PolarHBondContact O-N 2.85Å; L448-L460 HydrophobicContact CD1-CD1 3.94Å; L448-L460 HydrophobicContact CD1-CG 4.16Å; R458-L460 HydrophobicContact CG-CD2 3.68Å; R458-L460 HydrophobicContact CG-CG 4.47Å; L460-I477 HydrophobicContact CD1-CD1 4.04Å; L460-W489 HydrophobicContact CB-CE3 4.2Å; L460-W489 HydrophobicContact CB-CH2 4.29Å; L460-W489 HydrophobicContact CB-CZ3 4.04Å; L460-W489 HydrophobicContact CD1-CB 4.35Å; L460-W489 HydrophobicContact CD1-CD2 4.01Å; L460-W489 HydrophobicContact CD1-CE3 4.16Å; L460-W489 HydrophobicContact CD1-CG 4.08Å; L460-A494 HydrophobicContact CD2-CB 4.13Å; L460-L504 HydrophobicContact CD2-CB 4.24Å; L460-L504 HydrophobicContact CD2-CD1 3.42Å; L460-L504 VanDerWaalsContact CD2-CD1 3.42Å; L460-L504 HydrophobicContact CD2-CG 4.41Å
461E95.8Very high96.9Very high147 Ų14748.3 Ų48.369%0.68726%0.262SS*.  trans-114.6150.4177.6-60.4-175.3159.900109.4T445 V459 W489T445-E461 HydrophobicContact CG2-CG 4.21Å; V459-E461 HydrophobicContact CG1-CG 4.25Å; E461-W489 WeakPolarHBondContact O-CH2 3.42Å
462G92.9Very high97Very high39 Ų3948.8 Ų48.840%0.40226%0.264SS..  trans140.8-12.3175.800000114.7K487G462-K487 WeakPolarHBondContact O-CE 3.33Å; G462-K487 PolarHBondContact O-NZ 2.83Å
463H96.3Very high96.9Very high12 Ų1247 Ų476%0.05626%0.257CS..  trans-73140163.1-78.6-63.4000109.8N444 V467 S479 A481 W489N444-H463 WeakPolarHBondContact CB-O 3.48Å; H463-V467 HydrophobicContact CB-CG2 4.02Å; H463-S479 PolarHBondContact NE2-OG 2.84Å; H463-A481 WeakPolarHBondContact ND1-CB 3.42Å; H463-W489 AromaticContact CD2-CZ2 4Å
464E95.9Very high96.8Very high126 Ų12647.6 Ų47.659%0.58925%0.254SS*.SBendtrans-91.4-16.7-179.7-70.4162.3-143.800111.9N444 K485N444-E464 VanDerWaalsContact ND2-C 3.3Å; N444-E464 PolarHBondContact ND2-O 2.58Å; E464-K485 IonicContact OE1-NZ 3.57Å; E464-K485 PolarHBondContact OE1-NZ 3.14Å; E464-K485 IonicContact OE2-NZ 3.86Å; E464-K485 PolarHBondContact OE2-NZ 2.78Å
465E97.7Very high96.7Very high99 Ų9949.2 Ų49.246%0.46326%0.255SS..SBendtrans-136.8175.2-175.3-79.1-66.8164.600111.2N444 V467 D483N444-E465 PolarHBondContact OD1-O 3.44Å; E465-V467 PolarHBondContact O-N 3.15Å; E465-D483 HydrophobicContact CB-CB 4.09Å; E465-D483 HydrophobicContact CG-CB 3.98Å
466L97.8Very high96.7Very high26 Ų2647.3 Ų47.314%0.13624%0.238CC..  trans-49.9128.5179.3178.8159.1000111.9A428 S442 N444 R468 A481 Y482A428-L466 HydrophobicContact CB-CD2 3.84Å; A428-L466 HydrophobicContact CB-CG 4.45Å; S442-L466 WeakPolarHBondContact OG-CD1 3.48Å; N444-L466 PolarHBondContact OD1-N 2.91Å; L466-R468 HydrophobicContact CD2-CB 3.77Å; L466-R468 PolarHBondContact O-N 3.35Å; L466-A481 CarbonylContact O-C 3.52Å; L466-A481 VanDerWaalsContact O-CA 3.25Å; L466-A481 WeakPolarHBondContact O-CA 3.25Å; L466-A481 WeakPolarHBondContact O-CB 3.36Å; L466-Y482 HydrophobicContact CB-CD2 4.12Å; L466-Y482 HydrophobicContact CB-CG 4.18Å; L466-Y482 HydrophobicContact CD1-CE2 4.16Å; L466-Y482 HydrophobicContact CD2-CD1 3.97Å; L466-Y482 HydrophobicContact CD2-CD2 4.45Å; L466-Y482 HydrophobicContact CD2-CE1 3.9Å; L466-Y482 HydrophobicContact CD2-CE2 4.34Å; L466-Y482 HydrophobicContact CD2-CG 4.27Å; L466-Y482 PolarHBondContact O-N 2.87Å
467V98.5Very high96.8Very high0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-81.2104.3175.3-172.90000109.6C429 S441 I446 H463 E465C429-V467 PolarHBondContact SG-O 2.8Å; C429-V467 VanDerWaalsContact SG-O 3.36Å; S441-V467 PolarHBondContact O-N 3.36Å; I446-V467 HydrophobicContact CD1-CG1 4.25Å; I446-V467 HydrophobicContact CG1-CG1 3.97Å; I446-V467 HydrophobicContact CG1-CG2 4.16Å; H463-V467 HydrophobicContact CB-CG2 4.02Å; E465-V467 PolarHBondContact O-N 3.15Å
468R98.3Very high96.8Very high53 Ų5341.2 Ų41.220%0.220%0.203CC..EExtended strand (participates in β ladder)trans-92.1-33.8-166.4176.360.1-172.297.4-4.5113.7A428 C429 L466 G480 Y482 V516 F517A428-R468 PolarHBondContact O-NH1 2.92Å; C429-R468 WeakPolarHBondContact CB-O 3.3Å; L466-R468 HydrophobicContact CD2-CB 3.77Å; L466-R468 PolarHBondContact O-N 3.35Å; R468-G480 PolarHBondContact N-O 2.66Å; R468-Y482 HydrophobicContact CB-CD1 3.73Å; R468-Y482 HydrophobicContact CB-CE1 3.7Å; R468-Y482 HydrophobicContact CG-CD1 4.12Å; R468-Y482 HydrophobicContact CG-CE1 3.62Å; R468-V516 VanDerWaalsContact CB-O 3.3Å; R468-V516 WeakPolarHBondContact CB-O 3.36Å; R468-V516 WeakPolarHBondContact CG-O 3.38Å; R468-F517 HydrophobicContact CG-CD1 4.22Å
469C97.8Very high96.9Very high1 Ų139 Ų391%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-139.9149.2176.457.30000111C429 S479 G480 F517C429-C469 VanDerWaalsContact SG-C 3.54Å; C469-S479 WeakPolarHBondContact O-CA 3.32Å; C469-G480 PolarHBondContact N-O 3.21Å; C469-G480 VanDerWaalsContact N-O 3.17Å; C469-G480 PolarHBondContact O-N 3.21Å; C469-F517 WeakPolarHBondContact CB-O 3.39Å
470I98.5Very high96.9Very high3 Ų336.5 Ų36.52%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-149.8139.8-179.4-164.8155.9000109.8C429 V438 I446 I477 V478C429-I470 HydrophobicContact CB-CG2 3.95Å; C429-I470 VanDerWaalsContact SG-CG2 3.56Å; V438-I470 HydrophobicContact CG1-CD1 3.52Å; V438-I470 HydrophobicContact CG1-CG1 4.22Å; I446-I470 HydrophobicContact CB-CD1 4.27Å; I446-I470 HydrophobicContact CD1-CD1 3.77Å; I446-I470 HydrophobicContact CG1-CD1 3.83Å; I446-I470 HydrophobicContact CG2-CD1 3.45Å; I446-I470 VanDerWaalsContact CG2-CD1 3.45Å; I470-I477 HydrophobicContact CD1-CG2 3.75Å; I470-I477 HydrophobicContact CG1-CG2 3.74Å; I470-V478 WeakPolarHBondContact CA-O 3.33Å
471R98.4Very high96.9Very high67 Ų6736.4 Ų36.425%0.25318%0.179SC..EExtended strand (participates in β ladder)trans-138.2156.3166.8-63.6-65-75.8169.8-2.6109.9Q431 V478 L519 F521Q431-R471 VanDerWaalsContact CD-CZ 3.47Å; R471-V478 PolarHBondContact N-O 3.28Å; R471-V478 PolarHBondContact O-N 2.83Å; R471-L519 HydrophobicContact CB-CD1 3.96Å; R471-L519 HydrophobicContact CG-CD1 3.94Å; R471-L519 WeakPolarHBondContact CG-O 3.27Å; R471-F521 HydrophobicContact CB-CD1 3.85Å; R471-F521 HydrophobicContact CB-CE1 3.69Å
472F97.9Very high97Very high10 Ų1032.8 Ų32.84%0.04416%0.16CC..EExtended strand (participates in β ladder)trans-143152.2171.773.9-86.3000111.9Q431 R433 L436 V438 R476 I477 L491Q431-F472 HydrophobicContact CB-CD1 3.86Å; Q431-F472 HydrophobicContact CB-CE1 3.73Å; Q431-F472 HydrophobicContact CG-CD1 3.86Å; Q431-F472 HydrophobicContact CG-CE1 3.55Å; Q431-F472 HydrophobicContact CG-CZ 4.43Å; Q431-F472 PolarHBondContact NE2-O 2.78Å; R433-F472 HydrophobicContact CB-CE2 4.21Å; R433-F472 HydrophobicContact CB-CZ 3.76Å; L436-F472 HydrophobicContact CB-CE2 4.5Å; L436-F472 HydrophobicContact CB-CZ 4.32Å; L436-F472 HydrophobicContact CD2-CD2 4.28Å; L436-F472 HydrophobicContact CD2-CE2 3.87Å; L436-F472 HydrophobicContact CD2-CZ 4.17Å; L436-F472 HydrophobicContact CG-CZ 4.38Å; V438-F472 HydrophobicContact CB-CD1 3.91Å; V438-F472 HydrophobicContact CB-CE1 4.11Å; V438-F472 HydrophobicContact CG2-CD1 3.51Å; V438-F472 HydrophobicContact CG2-CE1 3.61Å; V438-F472 HydrophobicContact CG2-CG 4.03Å; V438-F472 HydrophobicContact CG2-CZ 4.21Å; F472-R476 VanDerWaalsContact CA-O 3.27Å; F472-R476 WeakPolarHBondContact CA-O 3.18Å; F472-R476 WeakPolarHBondContact CB-O 3.15Å; F472-I477 HydrophobicContact CB-CB 4.33Å; F472-I477 HydrophobicContact CB-CG1 3.89Å; F472-I477 HydrophobicContact CB-CG2 4.43Å; F472-L491 HydrophobicContact CD2-CD2 4.07Å
473D95.4Very high97Very high24 Ų2433.1 Ų33.113%0.12815%0.152CC..  trans-119-156171.568.36.3000109.3R433 K475 R476 L491 F521R433-D473 PolarHBondContact NH2-O 2.99Å; R433-D473 VanDerWaalsContact NH2-O 3.11Å; D473-K475 VanDerWaalsContact C-N 3.31Å; D473-K475 WeakPolarHBondContact OD1-CA 3.47Å; D473-K475 PolarHBondContact OD1-N 3.19Å; D473-R476 PolarHBondContact N-O 3.37Å; D473-R476 VanDerWaalsContact N-O 3.08Å; D473-R476 PolarHBondContact OD1-N 2.91Å; D473-L491 WeakPolarHBondContact O-CD2 3.39Å; D473-F521 HydrophobicContact CB-CE2 4.12Å; D473-F521 HydrophobicContact CB-CZ 3.95Å; D473-F521 VanDerWaalsContact OD2-CE2 3.23Å; D473-F521 WeakPolarHBondContact OD2-CE2 3.33Å
474N93.1Very high96.9Very high97 Ų9732.6 Ų32.652%0.51915%0.15SC..SBendtrans-78.1-16.3-179.7-62.4-9.8000113.1R433 Q492R433-N474 VanDerWaalsContact CZ-OD1 3.27Å; R433-N474 PolarHBondContact NH1-OD1 2.95Å; R433-N474 PolarHBondContact NH2-OD1 3.31Å; N474-Q492 PolarHBondContact O-NE2 2.99Å
475K93.6Very high97Very high55 Ų5528.3 Ų28.324%0.23913%0.129CC..SBendtrans-111.5-37.9-171.5-62.9-179.6-179.91800112.7E241 D473 L491 E523E241-K475 IonicContact OE1-NZ 2.77Å; E241-K475 PolarHBondContact OE1-NZ 3.16Å; D473-K475 VanDerWaalsContact C-N 3.31Å; D473-K475 WeakPolarHBondContact OD1-CA 3.47Å; D473-K475 PolarHBondContact OD1-N 3.19Å; K475-L491 WeakPolarHBondContact O-CB 3.37Å; K475-L491 PolarHBondContact O-N 2.76Å; K475-E523 WeakPolarHBondContact CE-OE2 3.48Å; K475-E523 IonicContact NZ-OE1 3.83Å; K475-E523 IonicContact NZ-OE2 2.83Å; K475-E523 PolarHBondContact NZ-OE2 3.23Å
476R96.3Very high97Very high5 Ų523.6 Ų23.62%0.01911%0.107CC..EExtended strand (participates in β ladder)trans-142.5157.4-162.8-62.3172-162.7148.8-0.1112.3E241 W244 F472 D473 V488 W489 L506E241-R476 IonicContact OE1-NH2 2.87Å; E241-R476 PolarHBondContact OE1-NH2 2.96Å; E241-R476 IonicContact OE2-CZ 3.9Å; E241-R476 IonicContact OE2-NH2 3.41Å; E241-R476 PolarHBondContact OE2-NH2 2.77Å; W244-R476 VanDerWaalsContact CG-CZ 3.48Å; W244-R476 VanDerWaalsContact NE1-NH1 3.2Å; F472-R476 VanDerWaalsContact CA-O 3.27Å; F472-R476 WeakPolarHBondContact CA-O 3.18Å; F472-R476 WeakPolarHBondContact CB-O 3.15Å; D473-R476 PolarHBondContact N-O 3.37Å; D473-R476 VanDerWaalsContact N-O 3.08Å; D473-R476 PolarHBondContact OD1-N 2.91Å; R476-V488 HydrophobicContact CB-CG1 4.34Å; R476-V488 HydrophobicContact CG-CG1 4.38Å; R476-W489 CarbonylContact C-O 3.59Å; R476-W489 WeakPolarHBondContact CA-O 3.31Å; R476-W489 WeakPolarHBondContact CB-O 3.39Å; R476-L506 HydrophobicContact CG-CD1 4.49Å
477I98.4Very high97Very high0 Ų023.3 Ų23.30%011%0.105CC..EExtended strand (participates in β ladder)trans-114.2131.5167.2-52.6172.7000107V438 L448 L460 I470 F472 V488 W489 L491V438-I477 HydrophobicContact CG1-CD1 4.23Å; V438-I477 HydrophobicContact CG1-CG2 4.24Å; L448-I477 HydrophobicContact CD1-CD1 3.92Å; L448-I477 HydrophobicContact CD2-CD1 4.24Å; L448-I477 HydrophobicContact CG-CD1 4.38Å; L460-I477 HydrophobicContact CD1-CD1 4.04Å; I470-I477 HydrophobicContact CD1-CG2 3.75Å; I470-I477 HydrophobicContact CG1-CG2 3.74Å; F472-I477 HydrophobicContact CB-CB 4.33Å; F472-I477 HydrophobicContact CB-CG1 3.89Å; F472-I477 HydrophobicContact CB-CG2 4.43Å; I477-V488 CarbonylContact O-C 3.59Å; I477-V488 WeakPolarHBondContact O-CA 3.36Å; I477-W489 HydrophobicContact CB-CB 4.14Å; I477-W489 HydrophobicContact CB-CG 4.47Å; I477-W489 PolarHBondContact N-O 3.2Å; I477-W489 PolarHBondContact O-N 3.28Å; I477-L491 HydrophobicContact CD1-CD1 3.82Å; I477-L491 HydrophobicContact CG1-CB 4.23Å; I477-L491 HydrophobicContact CG1-CD1 3.91Å
478V98.6Very high97Very high0 Ų023.3 Ų23.30%011%0.105CC..EExtended strand (participates in β ladder)trans-117127.6174-174.20000108.4W244 I470 R471 I486 K487 V488 L519 F521 I526W244-V478 HydrophobicContact CZ3-CG2 4.43Å; I470-V478 WeakPolarHBondContact CA-O 3.33Å; R471-V478 PolarHBondContact N-O 3.28Å; R471-V478 PolarHBondContact O-N 2.83Å; V478-I486 HydrophobicContact CG1-CG2 3.61Å; V478-K487 WeakPolarHBondContact CA-O 3.4Å; V478-V488 HydrophobicContact CG2-CG1 4.49Å; V478-V488 HydrophobicContact CG2-CG2 4.37Å; V478-L519 HydrophobicContact CB-CD1 3.97Å; V478-L519 HydrophobicContact CG1-CD1 3.81Å; V478-L519 HydrophobicContact CG1-CD2 3.91Å; V478-F521 HydrophobicContact CB-CD1 3.81Å; V478-F521 HydrophobicContact CB-CE1 3.9Å; V478-F521 HydrophobicContact CB-CG 4.33Å; V478-F521 HydrophobicContact CB-CZ 4.49Å; V478-F521 HydrophobicContact CG2-CD1 3.65Å; V478-F521 HydrophobicContact CG2-CD2 3.9Å; V478-F521 HydrophobicContact CG2-CE1 3.67Å; V478-F521 HydrophobicContact CG2-CE2 3.9Å; V478-F521 HydrophobicContact CG2-CG 3.78Å; V478-F521 HydrophobicContact CG2-CZ 3.8Å; V478-I526 HydrophobicContact CG1-CD1 3.96Å; V478-I526 HydrophobicContact CG1-CG1 4.39Å; V478-I526 HydrophobicContact CG1-CG2 4.47Å; V478-I526 HydrophobicContact CG2-CD1 4.48Å
479S98.4Very high97Very high0 Ų021 Ų210%010%0.096CC..EExtended strand (participates in β ladder)trans-135.2135.6-173.2570000111.2H463 C469 I486 K487 W489H463-S479 PolarHBondContact NE2-OG 2.84Å; C469-S479 WeakPolarHBondContact O-CA 3.32Å; S479-I486 CarbonylContact O-C 3.45Å; S479-I486 VanDerWaalsContact O-CA 3.27Å; S479-I486 WeakPolarHBondContact O-CA 3.45Å; S479-K487 PolarHBondContact N-O 3.12Å; S479-K487 PolarHBondContact O-N 3.38Å; S479-K487 PolarHBondContact OG-O 3.25Å; S479-W489 PolarHBondContact OG-NE1 2.88Å
480G98.3Very high97Very high0 Ų022.9 Ų22.90%011%0.106CC..EExtended strand (participates in β ladder)trans-114.8136.1177.100000111R468 C469R468-G480 PolarHBondContact N-O 2.66Å; C469-G480 PolarHBondContact N-O 3.21Å; C469-G480 VanDerWaalsContact N-O 3.17Å; C469-G480 PolarHBondContact O-N 3.21Å
481A98.1Very high96.9Very high0 Ų023 Ų230%011%0.107CC..EExtended strand (participates in β ladder)trans-116.1173.3-177.600000113H463 L466 D483 G484 K485 V516H463-A481 WeakPolarHBondContact ND1-CB 3.42Å; L466-A481 CarbonylContact O-C 3.52Å; L466-A481 VanDerWaalsContact O-CA 3.25Å; L466-A481 WeakPolarHBondContact O-CA 3.25Å; L466-A481 WeakPolarHBondContact O-CB 3.36Å; A481-D483 WeakPolarHBondContact CB-OD1 3.48Å; A481-D483 PolarHBondContact O-N 3.04Å; A481-G484 PolarHBondContact O-N 2.96Å; A481-K485 PolarHBondContact N-O 3.44Å; A481-K485 VanDerWaalsContact N-O 3.08Å; A481-V516 PolarHBondContact O-N 2.57Å; A481-V516 VanDerWaalsContact O-N 3.15Å
482Y97.5Very high96.7Very high72 Ų7225.2 Ų25.228%0.28212%0.12SC..THydrogen-bonded Turntrans-69.8-16.6179.1-92.817.7000114.5L466 R468 G484 R515L466-Y482 HydrophobicContact CB-CD2 4.12Å; L466-Y482 HydrophobicContact CB-CG 4.18Å; L466-Y482 HydrophobicContact CD1-CE2 4.16Å; L466-Y482 HydrophobicContact CD2-CD1 3.97Å; L466-Y482 HydrophobicContact CD2-CD2 4.45Å; L466-Y482 HydrophobicContact CD2-CE1 3.9Å; L466-Y482 HydrophobicContact CD2-CE2 4.34Å; L466-Y482 HydrophobicContact CD2-CG 4.27Å; L466-Y482 PolarHBondContact O-N 2.87Å; R468-Y482 HydrophobicContact CB-CD1 3.73Å; R468-Y482 HydrophobicContact CB-CE1 3.7Å; R468-Y482 HydrophobicContact CG-CD1 4.12Å; R468-Y482 HydrophobicContact CG-CE1 3.62Å; Y482-G484 PolarHBondContact O-N 3.41Å; Y482-R515 HydrophobicContact CD1-CB 3.72Å; Y482-R515 HydrophobicContact CD1-CG 3.77Å; Y482-R515 HydrophobicContact CD2-CG 4.25Å; Y482-R515 HydrophobicContact CE1-CB 4.09Å; Y482-R515 HydrophobicContact CE1-CG 4.23Å; Y482-R515 HydrophobicContact CG-CB 4.22Å; Y482-R515 HydrophobicContact CG-CG 3.76Å; Y482-R515 WeakPolarHBondContact O-CG 3.37Å
483D93.3Very high96.6Very high45 Ų4525.7 Ų25.724%0.24113%0.126CC..THydrogen-bonded Turntrans-80.54.4174.467.1-9.5000113.5E465 A481 K485E465-D483 HydrophobicContact CB-CB 4.09Å; E465-D483 HydrophobicContact CG-CB 3.98Å; A481-D483 WeakPolarHBondContact CB-OD1 3.48Å; A481-D483 PolarHBondContact O-N 3.04Å; D483-K485 PolarHBondContact O-N 3.28Å; D483-K485 WeakPolarHBondContact OD1-CB 3.31Å; D483-K485 PolarHBondContact OD1-N 3.34Å; D483-K485 WeakPolarHBondContact OD2-CD 3.34Å; D483-K485 VanDerWaalsContact OD2-CE 3.31Å; D483-K485 WeakPolarHBondContact OD2-CE 3.48Å; D483-K485 WeakPolarHBondContact OD2-CG 3.49Å; D483-K485 IonicContact OD2-NZ 2.68Å; D483-K485 PolarHBondContact OD2-NZ 2.96Å
484G94.3Very high96.6Very high1 Ų124.6 Ų24.61%0.0112%0.12CC..SBendtrans78.51.7-178.200000114.2A481 Y482 G514A481-G484 PolarHBondContact O-N 2.96Å; Y482-G484 PolarHBondContact O-N 3.41Å; G484-G514 WeakPolarHBondContact CA-O 3.21Å
485K96.9Very high96.7Very high37 Ų3723 Ų2316%0.16111%0.112CC..EExtended strand (participates in β ladder)trans-87.3141179.1-55.5-173.7-164130.70110.9E464 A481 D483 T508 V510E464-K485 IonicContact OE1-NZ 3.57Å; E464-K485 PolarHBondContact OE1-NZ 3.14Å; E464-K485 IonicContact OE2-NZ 3.86Å; E464-K485 PolarHBondContact OE2-NZ 2.78Å; A481-K485 PolarHBondContact N-O 3.44Å; A481-K485 VanDerWaalsContact N-O 3.08Å; D483-K485 PolarHBondContact O-N 3.28Å; D483-K485 WeakPolarHBondContact OD1-CB 3.31Å; D483-K485 PolarHBondContact OD1-N 3.34Å; D483-K485 WeakPolarHBondContact OD2-CD 3.34Å; D483-K485 VanDerWaalsContact OD2-CE 3.31Å; D483-K485 WeakPolarHBondContact OD2-CE 3.48Å; D483-K485 WeakPolarHBondContact OD2-CG 3.49Å; D483-K485 IonicContact OD2-NZ 2.68Å; D483-K485 PolarHBondContact OD2-NZ 2.96Å; K485-T508 HydrophobicContact CB-CG2 3.99Å; K485-T508 HydrophobicContact CD-CG2 3.89Å; K485-T508 HydrophobicContact CG-CG2 4.33Å; K485-V510 HydrophobicContact CB-CG2 4.48Å; K485-V510 HydrophobicContact CD-CG2 4.21Å; K485-V510 HydrophobicContact CG-CG1 4.38Å; K485-V510 HydrophobicContact CG-CG2 3.93Å
486I98.2Very high96.7Very high0 Ų023.7 Ų23.70%012%0.118CC..EExtended strand (participates in β ladder)trans-109.1129.9168.3-63.4175.3000107.9V478 S479 T508 L509 V516 L519 S528 W538V478-I486 HydrophobicContact CG1-CG2 3.61Å; S479-I486 CarbonylContact O-C 3.45Å; S479-I486 VanDerWaalsContact O-CA 3.27Å; S479-I486 WeakPolarHBondContact O-CA 3.45Å; I486-T508 CarbonylContact O-C 3.53Å; I486-T508 WeakPolarHBondContact O-CA 3.22Å; I486-L509 HydrophobicContact CB-CB 4.29Å; I486-L509 HydrophobicContact CG2-CD1 4.49Å; I486-L509 PolarHBondContact N-O 2.84Å; I486-L509 PolarHBondContact O-N 3.13Å; I486-V516 HydrophobicContact CD1-CG1 4.37Å; I486-V516 HydrophobicContact CG1-CG1 4.34Å; I486-V516 HydrophobicContact CG1-CG2 4.12Å; I486-L519 HydrophobicContact CG2-CD2 4.45Å; I486-S528 WeakPolarHBondContact CD1-OG 3.42Å; I486-W538 HydrophobicContact CD1-CZ2 3.92Å
487K98.1Very high96.6Very high19 Ų1928.4 Ų28.48%0.08315%0.149CC..EExtended strand (participates in β ladder)trans-114135.1175.1-70-178.2-175-87.90110.9G462 V478 S479 W489 R507 T508G462-K487 WeakPolarHBondContact O-CE 3.33Å; G462-K487 PolarHBondContact O-NZ 2.83Å; V478-K487 WeakPolarHBondContact CA-O 3.4Å; S479-K487 PolarHBondContact N-O 3.12Å; S479-K487 PolarHBondContact O-N 3.38Å; S479-K487 PolarHBondContact OG-O 3.25Å; K487-W489 HydrophobicContact CB-CZ2 3.86Å; K487-W489 HydrophobicContact CD-CH2 4Å; K487-W489 HydrophobicContact CD-CZ2 3.5Å; K487-W489 HydrophobicContact CG-CZ2 4.33Å; K487-R507 WeakPolarHBondContact CA-O 3.46Å; K487-T508 HydrophobicContact CG-CG2 4.05Å; K487-T508 PolarHBondContact NZ-OG1 2.95Å
488V98.1Very high96.4Very high1 Ų139.1 Ų39.11%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-105.4126.1173.1-174.30000108.1W244 R476 I477 V478 L506 R507 L509 I526W244-V488 HydrophobicContact CE3-CG1 4.25Å; W244-V488 HydrophobicContact CE3-CG2 4.46Å; W244-V488 HydrophobicContact CZ3-CG1 4.34Å; W244-V488 HydrophobicContact CZ3-CG2 4.26Å; R476-V488 HydrophobicContact CB-CG1 4.34Å; R476-V488 HydrophobicContact CG-CG1 4.38Å; I477-V488 CarbonylContact O-C 3.59Å; I477-V488 WeakPolarHBondContact O-CA 3.36Å; V478-V488 HydrophobicContact CG2-CG1 4.49Å; V478-V488 HydrophobicContact CG2-CG2 4.37Å; V488-L506 HydrophobicContact CG1-CD1 4.26Å; V488-L506 WeakPolarHBondContact O-CB 3.43Å; V488-L506 PolarHBondContact O-N 3.38Å; V488-R507 PolarHBondContact N-O 2.9Å; V488-R507 PolarHBondContact O-N 2.85Å; V488-L509 HydrophobicContact CG2-CD1 4.33Å; V488-I526 HydrophobicContact CG2-CD1 4.38Å
489W97.9Very high96.3Very high4 Ų439.8 Ų39.82%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-118.8148.9-179-42.981000110.5I446 L460 E461 H463 R476 I477 S479 K487 L504 C505I446-W489 HydrophobicContact CD1-CZ2 4.22Å; L460-W489 HydrophobicContact CB-CE3 4.2Å; L460-W489 HydrophobicContact CB-CH2 4.29Å; L460-W489 HydrophobicContact CB-CZ3 4.04Å; L460-W489 HydrophobicContact CD1-CB 4.35Å; L460-W489 HydrophobicContact CD1-CD2 4.01Å; L460-W489 HydrophobicContact CD1-CE3 4.16Å; L460-W489 HydrophobicContact CD1-CG 4.08Å; E461-W489 WeakPolarHBondContact O-CH2 3.42Å; H463-W489 AromaticContact CD2-CZ2 4Å; R476-W489 CarbonylContact C-O 3.59Å; R476-W489 WeakPolarHBondContact CA-O 3.31Å; R476-W489 WeakPolarHBondContact CB-O 3.39Å; I477-W489 HydrophobicContact CB-CB 4.14Å; I477-W489 HydrophobicContact CB-CG 4.47Å; I477-W489 PolarHBondContact N-O 3.2Å; I477-W489 PolarHBondContact O-N 3.28Å; S479-W489 PolarHBondContact OG-NE1 2.88Å; K487-W489 HydrophobicContact CB-CZ2 3.86Å; K487-W489 HydrophobicContact CD-CH2 4Å; K487-W489 HydrophobicContact CD-CZ2 3.5Å; K487-W489 HydrophobicContact CG-CZ2 4.33Å; W489-L504 CarbonylContact C-O 3.49Å; W489-L504 WeakPolarHBondContact CA-O 3.32Å; W489-L504 WeakPolarHBondContact CB-O 3.23Å; W489-L504 HydrophobicContact CE3-CB 4.24Å; W489-C505 HydrophobicContact CD2-CB 4.48Å; W489-C505 HydrophobicContact CE3-CB 3.71Å; W489-C505 HydrophobicContact CH2-CB 4.27Å; W489-C505 HydrophobicContact CZ3-CB 3.59Å
490D96.9Very high96.1Very high41 Ų4143.1 Ų43.122%0.21922%0.217CC..EExtended strand (participates in β ladder)trans-80.1117.1171.8-172-38.3000109.8Q492 A493 A494 L504 L506D490-Q492 PolarHBondContact OD1-N 2.98Å; D490-A493 HydrophobicContact CB-CB 3.89Å; D490-A493 PolarHBondContact OD1-N 3.45Å; D490-A494 VanDerWaalsContact O-CB 3.27Å; D490-A494 WeakPolarHBondContact O-CB 3.25Å; D490-A494 PolarHBondContact O-N 3.39Å; D490-A494 VanDerWaalsContact O-N 3.07Å; D490-L504 PolarHBondContact N-O 2.89Å; D490-L506 HydrophobicContact CB-CD1 4.14Å; D490-L506 HydrophobicContact CB-CD2 4.09Å; D490-L506 HydrophobicContact CB-CG 4.1Å
491L96.5Very high95.7Very high6 Ų646.8 Ų46.83%0.03125%0.247CC..Hα-helixtrans-71.2-41.9-178.2176.761.4000111.6L436 L448 F472 D473 K475 I477 A494 L495L436-L491 HydrophobicContact CD2-CD1 3.74Å; L448-L491 HydrophobicContact CD2-CD1 4.05Å; F472-L491 HydrophobicContact CD2-CD2 4.07Å; D473-L491 WeakPolarHBondContact O-CD2 3.39Å; K475-L491 WeakPolarHBondContact O-CB 3.37Å; K475-L491 PolarHBondContact O-N 2.76Å; I477-L491 HydrophobicContact CD1-CD1 3.82Å; I477-L491 HydrophobicContact CG1-CB 4.23Å; I477-L491 HydrophobicContact CG1-CD1 3.91Å; L491-A494 PolarHBondContact O-N 2.86Å; L491-L495 HydrophobicContact CD1-CD1 4.13Å; L491-L495 HydrophobicContact CD1-CG 4.15Å; L491-L495 HydrophobicContact CG-CD1 4.07Å; L491-L495 HydrophobicContact CG-CG 4.49Å; L491-L495 WeakPolarHBondContact O-CG 3.36Å; L491-L495 PolarHBondContact O-N 3.2Å
492Q95.4Very high95.2Very high112 Ų11251.7 Ų51.752%0.52328%0.282SS..Hα-helixtrans-68.1-42.4-176.1-63.4-58.4-40.200110.4N474 D490 A494 L495 D496N474-Q492 PolarHBondContact O-NE2 2.99Å; D490-Q492 PolarHBondContact OD1-N 2.98Å; Q492-A494 VanDerWaalsContact C-N 3.31Å; Q492-A494 PolarHBondContact O-N 3.39Å; Q492-L495 PolarHBondContact O-N 3.26Å; Q492-D496 PolarHBondContact O-N 3.24Å; Q492-D496 VanDerWaalsContact O-N 3.1Å
493A95.2Very high94.9Very high20 Ų2051.8 Ų51.817%0.16529%0.29CS..Hα-helixtrans-64.3-36172.200000112D490 L495 D496 A499 L504D490-A493 HydrophobicContact CB-CB 3.89Å; D490-A493 PolarHBondContact OD1-N 3.45Å; A493-L495 VanDerWaalsContact C-N 3.33Å; A493-L495 PolarHBondContact O-N 2.89Å; A493-D496 PolarHBondContact O-N 2.9Å; A493-A499 HydrophobicContact CB-CB 4.22Å; A493-A499 WeakPolarHBondContact O-CB 3.39Å; A493-L504 HydrophobicContact CB-CD2 3.79Å
494A95.4Very high94.9Very high1 Ų149.8 Ų49.81%0.00828%0.279CS..Hα-helixtrans-66.7-34.4177.600000113L448 R458 L460 D490 L491 Q492 L504L448-A494 HydrophobicContact CD2-CB 3.91Å; R458-A494 WeakPolarHBondContact CB-O 3.36Å; R458-A494 HydrophobicContact CG-CB 4.48Å; R458-A494 WeakPolarHBondContact CG-O 3.3Å; R458-A494 PolarHBondContact NE-O 2.91Å; L460-A494 HydrophobicContact CD2-CB 4.13Å; D490-A494 VanDerWaalsContact O-CB 3.27Å; D490-A494 WeakPolarHBondContact O-CB 3.25Å; D490-A494 PolarHBondContact O-N 3.39Å; D490-A494 VanDerWaalsContact O-N 3.07Å; L491-A494 PolarHBondContact O-N 2.86Å; Q492-A494 VanDerWaalsContact C-N 3.31Å; Q492-A494 PolarHBondContact O-N 3.39Å; A494-L504 HydrophobicContact CB-CD2 4.34Å
495L94.8Very high95Very high65 Ų6551.8 Ų51.834%0.3429%0.292SS..Hα-helixtrans-75.3-28.1176.6-69.3172.7000113L436 L448 L457 L491 Q492 A493 P497L436-L495 HydrophobicContact CD1-CD2 3.96Å; L436-L495 HydrophobicContact CD2-CD2 4.42Å; L448-L495 HydrophobicContact CD2-CD2 3.94Å; L448-L495 HydrophobicContact CD2-CG 4.38Å; L457-L495 HydrophobicContact CD1-CD2 4.08Å; L491-L495 HydrophobicContact CD1-CD1 4.13Å; L491-L495 HydrophobicContact CD1-CG 4.15Å; L491-L495 HydrophobicContact CG-CD1 4.07Å; L491-L495 HydrophobicContact CG-CG 4.49Å; L491-L495 WeakPolarHBondContact O-CG 3.36Å; L491-L495 PolarHBondContact O-N 3.2Å; Q492-L495 PolarHBondContact O-N 3.26Å; A493-L495 VanDerWaalsContact C-N 3.33Å; A493-L495 PolarHBondContact O-N 2.89Å; L495-P497 VanDerWaalsContact O-CD 3.29Å; L495-P497 WeakPolarHBondContact O-CD 3.49Å
496D95Very high94.8Very high68 Ų6852 Ų5236%0.36430%0.295SS..  trans-73.9115172.4-176.6-1.8000110.4R458 Q492 A493 R498 A499R458-D496 PolarHBondContact NH2-O 2.77Å; Q492-D496 PolarHBondContact O-N 3.24Å; Q492-D496 VanDerWaalsContact O-N 3.1Å; A493-D496 PolarHBondContact O-N 2.9Å; D496-R498 PolarHBondContact O-N 3.34Å; D496-R498 VanDerWaalsContact O-N 3.16Å; D496-R498 VanDerWaalsContact OD1-CB 3.28Å; D496-R498 WeakPolarHBondContact OD1-CB 3.45Å; D496-R498 WeakPolarHBondContact OD1-CG 3.47Å; D496-R498 PolarHBondContact OD1-N 2.94Å; D496-A499 HydrophobicContact CB-CB 4.42Å; D496-A499 PolarHBondContact O-N 2.89Å
497P92.8Very high94.6Very high105 Ų10555.3 Ų55.368%0.68231%0.307SS*.THydrogen-bonded Turntrans-60.7-23.8177.425.3-34.3000113.2R458 L495R458-P497 PolarHBondContact NH2-O 3.18Å; L495-P497 VanDerWaalsContact O-CD 3.29Å; L495-P497 WeakPolarHBondContact O-CD 3.49Å
498R95.3Very high94.5Very high224 Ų22456.4 Ų56.485%0.84532%0.316SS*.THydrogen-bonded Turntrans-78.4-21.2-177.5-58.8173.2179.7179.40.8113.3D496D496-R498 PolarHBondContact O-N 3.34Å; D496-R498 VanDerWaalsContact O-N 3.16Å; D496-R498 VanDerWaalsContact OD1-CB 3.28Å; D496-R498 WeakPolarHBondContact OD1-CB 3.45Å; D496-R498 WeakPolarHBondContact OD1-CG 3.47Å; D496-R498 PolarHBondContact OD1-N 2.94Å
499A95.6Very high94.4Very high15 Ų1556.8 Ų56.812%0.12432%0.317CS..SBendtrans-67.8132.5179.100000110.9R458 A493 D496 L504R458-A499 PolarHBondContact NH2-O 3.45Å; A493-A499 HydrophobicContact CB-CB 4.22Å; A493-A499 WeakPolarHBondContact O-CB 3.39Å; D496-A499 HydrophobicContact CB-CB 4.42Å; D496-A499 PolarHBondContact O-N 2.89Å; A499-L504 HydrophobicContact CB-CD2 4.19Å
500P94Very high94.3Very high70 Ų7060.5 Ų60.546%0.45534%0.341SS..  trans-73.1152.9176.730.9-34.4000111.1S502 T503P500-S502 PolarHBondContact O-N 2.87Å; P500-S502 VanDerWaalsContact O-N 3.13Å; P500-T503 HydrophobicContact CG-CG2 3.94Å; P500-T503 PolarHBondContact O-N 2.89Å; P500-T503 PolarHBondContact O-OG1 2.88Å
501A90.5Very high94.1Very high77 Ų7762.5 Ų62.564%0.63635%0.349SS*.G310 helixtrans-59.5-27.7179.500000113.5T503 L504A501-T503 VanDerWaalsContact C-N 3.28Å; A501-T503 PolarHBondContact O-N 2.88Å; A501-L504 PolarHBondContact O-N 2.83Å
502S87.4Confident94Very high103 Ų10362.8 Ų62.872%0.7235%0.35SS*.G310 helixtrans-66.4-24.8-178.654.80000114.1P500P500-S502 PolarHBondContact O-N 2.87Å; P500-S502 VanDerWaalsContact O-N 3.13Å
503T91.6Very high93.9Very high74 Ų7462.7 Ų62.745%0.45436%0.362SS..G310 helixtrans-94.8-5.2-178.456.70000113.1P500 A501P500-T503 HydrophobicContact CG-CG2 3.94Å; P500-T503 PolarHBondContact O-N 2.89Å; P500-T503 PolarHBondContact O-OG1 2.88Å; A501-T503 VanDerWaalsContact C-N 3.28Å; A501-T503 PolarHBondContact O-N 2.88Å
504L94.2Very high93.9Very high3 Ų362.4 Ų62.42%0.01636%0.361CS..THydrogen-bonded Turntrans-77.8-39.1-173.6-57.7-176.2000112.3R458 L460 W489 D490 A493 A494 A499 A501 L506R458-L504 HydrophobicContact CG-CD1 4.33Å; L460-L504 HydrophobicContact CD2-CB 4.24Å; L460-L504 HydrophobicContact CD2-CD1 3.42Å; L460-L504 VanDerWaalsContact CD2-CD1 3.42Å; L460-L504 HydrophobicContact CD2-CG 4.41Å; W489-L504 CarbonylContact C-O 3.49Å; W489-L504 WeakPolarHBondContact CA-O 3.32Å; W489-L504 WeakPolarHBondContact CB-O 3.23Å; W489-L504 HydrophobicContact CE3-CB 4.24Å; D490-L504 PolarHBondContact N-O 2.89Å; A493-L504 HydrophobicContact CB-CD2 3.79Å; A494-L504 HydrophobicContact CB-CD2 4.34Å; A499-L504 HydrophobicContact CB-CD2 4.19Å; A501-L504 PolarHBondContact O-N 2.83Å; L504-L506 PolarHBondContact O-N 2.96Å
505C94.6Very high94Very high42 Ų4268 Ų6828%0.28438%0.381SS..EExtended strand (participates in β ladder)trans-83103.2177.1-178.10000109.5W489W489-C505 HydrophobicContact CD2-CB 4.48Å; W489-C505 HydrophobicContact CE3-CB 3.71Å; W489-C505 HydrophobicContact CH2-CB 4.27Å; W489-C505 HydrophobicContact CZ3-CB 3.59Å
506L93.4Very high94.1Very high42 Ų4264.9 Ų64.922%0.2237%0.365CS..EExtended strand (participates in β ladder)trans-67.8-50.2176.8-62.6178.1000110.5R476 V488 D490 L504R476-L506 HydrophobicContact CG-CD1 4.49Å; V488-L506 HydrophobicContact CG1-CD1 4.26Å; V488-L506 WeakPolarHBondContact O-CB 3.43Å; V488-L506 PolarHBondContact O-N 3.38Å; D490-L506 HydrophobicContact CB-CD1 4.14Å; D490-L506 HydrophobicContact CB-CD2 4.09Å; D490-L506 HydrophobicContact CB-CG 4.1Å; L504-L506 PolarHBondContact O-N 2.96Å
507R95Very high94.3Very high69 Ų6962 Ų6226%0.2635%0.349SS..EExtended strand (participates in β ladder)trans-155.2152.2-175.8-151.763.4-140.3158.5-5.6113.3K487 V488 L509K487-R507 WeakPolarHBondContact CA-O 3.46Å; V488-R507 PolarHBondContact N-O 2.9Å; V488-R507 PolarHBondContact O-N 2.85Å; R507-L509 HydrophobicContact CG-CD2 4.27Å
508T95.9Very high94.5Very high42 Ų4259.2 Ų59.226%0.25833%0.325SS..EExtended strand (participates in β ladder)trans-114.9120.7168.1-55.10000108.1K485 I486 K487 V510K485-T508 HydrophobicContact CB-CG2 3.99Å; K485-T508 HydrophobicContact CD-CG2 3.89Å; K485-T508 HydrophobicContact CG-CG2 4.33Å; I486-T508 CarbonylContact O-C 3.53Å; I486-T508 WeakPolarHBondContact O-CA 3.22Å; K487-T508 HydrophobicContact CG-CG2 4.05Å; K487-T508 PolarHBondContact NZ-OG1 2.95Å; T508-V510 HydrophobicContact CG2-CG2 3.95Å
509L95.3Very high94.7Very high9 Ų948.6 Ų48.65%0.04729%0.285CS..EExtended strand (participates in β ladder)trans-102.4130.7178.7-55.4174.6000108.5I486 V488 R507 I526 W538 F540I486-L509 HydrophobicContact CB-CB 4.29Å; I486-L509 HydrophobicContact CG2-CD1 4.49Å; I486-L509 PolarHBondContact N-O 2.84Å; I486-L509 PolarHBondContact O-N 3.13Å; V488-L509 HydrophobicContact CG2-CD1 4.33Å; R507-L509 HydrophobicContact CG-CD2 4.27Å; L509-I526 HydrophobicContact CD1-CD1 3.93Å; L509-W538 HydrophobicContact CB-CE3 4.33Å; L509-W538 HydrophobicContact CB-CH2 3.75Å; L509-W538 HydrophobicContact CB-CZ3 3.65Å; L509-W538 HydrophobicContact CD1-CD2 4.43Å; L509-W538 HydrophobicContact CD1-CE3 4.01Å; L509-W538 HydrophobicContact CD1-CZ3 4.19Å; L509-W538 HydrophobicContact CD2-CZ3 4.46Å; L509-W538 HydrophobicContact CG-CZ3 4.31Å; L509-F540 HydrophobicContact CD1-CZ 4.06Å
510V95.1Very high94.8Very high83 Ų8350 Ų5050%0.50329%0.289SS..EExtended strand (participates in β ladder)trans-136.891.5-170.9-169.80000109.4K485 T508K485-V510 HydrophobicContact CB-CG2 4.48Å; K485-V510 HydrophobicContact CD-CG2 4.21Å; K485-V510 HydrophobicContact CG-CG1 4.38Å; K485-V510 HydrophobicContact CG-CG2 3.93Å; T508-V510 HydrophobicContact CG2-CG2 3.95Å
511E94.1Very high95Very high83 Ų8347.8 Ų47.839%0.38827%0.273SS..  trans-135.9-20.1178.6-66.7-68.3154.200113.4L251 R253 L536 W538L251-E511 HydrophobicContact CD2-CB 4.04Å; L251-E511 HydrophobicContact CD2-CG 3.71Å; R253-E511 IonicContact CZ-OE2 4Å; R253-E511 IonicContact NH1-OE2 3.7Å; R253-E511 PolarHBondContact NH2-O 3.1Å; R253-E511 IonicContact NH2-OE2 3.44Å; R253-E511 PolarHBondContact NH2-OE2 2.77Å; E511-L536 HydrophobicContact CB-CD1 3.81Å; E511-W538 HydrophobicContact CB-CH2 3.32Å; E511-W538 HydrophobicContact CB-CZ2 3.9Å; E511-W538 HydrophobicContact CB-CZ3 4Å; E511-W538 HydrophobicContact CG-CH2 3.3Å; E511-W538 HydrophobicContact CG-CZ2 4.28Å; E511-W538 HydrophobicContact CG-CZ3 3.43Å; E511-W538 VanDerWaalsContact CG-CZ3 3.43Å
512H94.4Very high95.2Very high11 Ų1145.9 Ų45.95%0.05125%0.252CS..  trans-76.7145.7171.3-79.9-61.6000110.4V516 S528 S530 D532 T534 L536H512-V516 HydrophobicContact CB-CG2 4.38Å; H512-S528 PolarHBondContact NE2-OG 3Å; H512-S530 WeakPolarHBondContact CE1-CB 3.29Å; H512-S530 WeakPolarHBondContact ND1-CB 3.33Å; H512-D532 IonicContact CG-OD2 2.87Å; H512-D532 IonicContact ND1-OD1 2.92Å; H512-D532 IonicContact ND1-OD2 3.56Å; H512-D532 PolarHBondContact ND1-OD2 3.46Å; H512-T534 PolarHBondContact CE1-OG1 3.44Å; H512-T534 PolarHBondContact ND1-OG1 3.1Å; H512-L536 WeakPolarHBondContact CE1-CD1 3.15Å; H512-L536 WeakPolarHBondContact CE1-CG 3.27Å; H512-L536 WeakPolarHBondContact ND1-CD1 3.46Å
513S93.1Very high95.6Very high111 Ų11142.1 Ų42.178%0.77622%0.223SC*.SBendtrans-101-3.517761.20000112.8D532S513-D532 PolarHBondContact N-OD2 3.39Å; S513-D532 VanDerWaalsContact OG-CB 3.23Å; S513-D532 WeakPolarHBondContact OG-CB 3.47Å; S513-D532 PolarHBondContact OG-OD2 3.14Å
514G94.3Very high95.7Very high14 Ų1439 Ų3914%0.14420%0.203CC..SBendtrans-137.6-176.4-179.500000112.6G484 V516 S530G484-G514 WeakPolarHBondContact CA-O 3.21Å; G514-V516 PolarHBondContact O-N 3.23Å; G514-S530 PolarHBondContact O-OG 2.87Å
515R97.2Very high95.8Very high117 Ų11739 Ų3944%0.44220%0.203SC..  trans-60.8126.4-178.7-59.1169.9-175.2165.52.4110.7Y482 F517 S530 H531Y482-R515 HydrophobicContact CD1-CB 3.72Å; Y482-R515 HydrophobicContact CD1-CG 3.77Å; Y482-R515 HydrophobicContact CD2-CG 4.25Å; Y482-R515 HydrophobicContact CE1-CB 4.09Å; Y482-R515 HydrophobicContact CE1-CG 4.23Å; Y482-R515 HydrophobicContact CG-CB 4.22Å; Y482-R515 HydrophobicContact CG-CG 3.76Å; Y482-R515 WeakPolarHBondContact O-CG 3.37Å; R515-F517 HydrophobicContact CB-CE1 4.19Å; R515-F517 PolarHBondContact O-N 3.39Å; R515-S530 CarbonylContact O-C 3.5Å; R515-S530 VanDerWaalsContact O-CA 3.27Å; R515-S530 WeakPolarHBondContact O-CA 3.42Å; R515-S530 PolarHBondContact O-OG 3.01Å; R515-H531 HydrophobicContact CB-CB 4.17Å; R515-H531 PolarHBondContact O-N 3.31Å
516V98.2Very high96Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-76.4115.2174-170.30000108.9R468 A481 I486 H512 G514R468-V516 VanDerWaalsContact CB-O 3.3Å; R468-V516 WeakPolarHBondContact CB-O 3.36Å; R468-V516 WeakPolarHBondContact CG-O 3.38Å; A481-V516 PolarHBondContact O-N 2.57Å; A481-V516 VanDerWaalsContact O-N 3.15Å; I486-V516 HydrophobicContact CD1-CG1 4.37Å; I486-V516 HydrophobicContact CG1-CG1 4.34Å; I486-V516 HydrophobicContact CG1-CG2 4.12Å; H512-V516 HydrophobicContact CB-CG2 4.38Å; G514-V516 PolarHBondContact O-N 3.23Å
517F98Very high96.2Very high7 Ų735 Ų353%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-90.9-41.1-175.7-74-43.7000113.2V264 Y265 R468 C469 R515 S529 H531V264-F517 WeakPolarHBondContact O-CB 3.32Å; V264-F517 WeakPolarHBondContact O-CD2 3.35Å; Y265-F517 HydrophobicContact CD1-CD1 4.16Å; Y265-F517 AromaticContact CD1-CD2 3.93Å; Y265-F517 HydrophobicContact CD1-CD2 3.93Å; Y265-F517 HydrophobicContact CD1-CE1 4.25Å; Y265-F517 AromaticContact CD1-CE2 3.99Å; Y265-F517 HydrophobicContact CD1-CE2 3.99Å; Y265-F517 HydrophobicContact CD1-CG 4.01Å; Y265-F517 HydrophobicContact CD1-CZ 4.16Å; Y265-F517 HydrophobicContact CE1-CD1 4.35Å; Y265-F517 HydrophobicContact CE1-CD2 4.28Å; Y265-F517 AromaticContact CE1-CE1 3.98Å; Y265-F517 HydrophobicContact CE1-CE1 3.98Å; Y265-F517 AromaticContact CE1-CE2 3.86Å; Y265-F517 HydrophobicContact CE1-CE2 3.86Å; Y265-F517 AromaticContact CE1-CZ 3.71Å; Y265-F517 HydrophobicContact CE1-CZ 3.71Å; R468-F517 HydrophobicContact CG-CD1 4.22Å; C469-F517 WeakPolarHBondContact CB-O 3.39Å; R515-F517 HydrophobicContact CB-CE1 4.19Å; R515-F517 PolarHBondContact O-N 3.39Å; F517-S529 PolarHBondContact N-O 2.79Å; F517-H531 HydrophobicContact CD2-CB 4.29Å; F517-H531 VanDerWaalsContact CE2-CA 3.49Å; F517-H531 HydrophobicContact CE2-CB 3.51Å; F517-H531 AromaticContact CE2-CD2 3.89Å; F517-H531 HydrophobicContact CZ-CB 3.74Å; F517-H531 AromaticContact CZ-CD2 3.76Å
518R98.3Very high96.4Very high47 Ų4731.7 Ų31.718%0.17717%0.167CC..EExtended strand (participates in β ladder)trans-145.2151.8178.8-161.563.8176.4-167.2-4.1110.8L267 H346 S528 S529L267-R518 HydrophobicContact CD2-CB 4.26Å; L267-R518 HydrophobicContact CG-CB 4.33Å; L267-R518 HydrophobicContact CG-CG 4.21Å; H346-R518 PolarHBondContact NE2-NH1 3.1Å; H346-R518 PolarHBondContact NE2-NH2 3.11Å; R518-S528 CarbonylContact O-C 3.58Å; R518-S528 WeakPolarHBondContact O-CA 3.23Å; R518-S529 PolarHBondContact N-O 2.92Å; R518-S529 PolarHBondContact O-N 3.32Å
519L98.3Very high96.5Very high1 Ų129.7 Ų29.71%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-144.1151166.963.287.7000109.5R471 V478 I486 F521 I526 I527R471-L519 HydrophobicContact CB-CD1 3.96Å; R471-L519 HydrophobicContact CG-CD1 3.94Å; R471-L519 WeakPolarHBondContact CG-O 3.27Å; V478-L519 HydrophobicContact CB-CD1 3.97Å; V478-L519 HydrophobicContact CG1-CD1 3.81Å; V478-L519 HydrophobicContact CG1-CD2 3.91Å; I486-L519 HydrophobicContact CG2-CD2 4.45Å; L519-F521 HydrophobicContact CD1-CD1 4.41Å; L519-I526 HydrophobicContact CB-CG2 4.39Å; L519-I527 CarbonylContact C-O 3.53Å; L519-I527 WeakPolarHBondContact CA-O 3.47Å
520Q98.3Very high96.6Very high45 Ų4529.3 Ų29.321%0.2115%0.152CC..EExtended strand (participates in β ladder)trans-132.7147.3164.9-179.5-176.2-1300106.4L267 Y269 I527L267-Q520 HydrophobicContact CD1-CB 4.08Å; Y269-Q520 HydrophobicContact CD1-CB 3.83Å; Y269-Q520 VanDerWaalsContact CD1-CD 3.45Å; Y269-Q520 HydrophobicContact CD1-CG 3.82Å; Y269-Q520 HydrophobicContact CE1-CB 3.59Å; Y269-Q520 HydrophobicContact CE1-CG 3.42Å; Y269-Q520 VanDerWaalsContact CE1-CG 3.42Å; Y269-Q520 PolarHBondContact O-NE2 2.96Å; Q520-I527 PolarHBondContact N-O 3.21Å; Q520-I527 PolarHBondContact O-N 2.8Å
521F97.9Very high96.6Very high23 Ų2328.7 Ų28.710%0.10114%0.143CC..EExtended strand (participates in β ladder)trans-144.2157.9176.778.8-79.5000110.4W244 R471 D473 V478 L519 Q525 I526W244-F521 AromaticContact CH2-CD2 3.96Å; W244-F521 HydrophobicContact CH2-CD2 3.96Å; R471-F521 HydrophobicContact CB-CD1 3.85Å; R471-F521 HydrophobicContact CB-CE1 3.69Å; D473-F521 HydrophobicContact CB-CE2 4.12Å; D473-F521 HydrophobicContact CB-CZ 3.95Å; D473-F521 VanDerWaalsContact OD2-CE2 3.23Å; D473-F521 WeakPolarHBondContact OD2-CE2 3.33Å; V478-F521 HydrophobicContact CB-CD1 3.81Å; V478-F521 HydrophobicContact CB-CE1 3.9Å; V478-F521 HydrophobicContact CB-CG 4.33Å; V478-F521 HydrophobicContact CB-CZ 4.49Å; V478-F521 HydrophobicContact CG2-CD1 3.65Å; V478-F521 HydrophobicContact CG2-CD2 3.9Å; V478-F521 HydrophobicContact CG2-CE1 3.67Å; V478-F521 HydrophobicContact CG2-CE2 3.9Å; V478-F521 HydrophobicContact CG2-CG 3.78Å; V478-F521 HydrophobicContact CG2-CZ 3.8Å; L519-F521 HydrophobicContact CD1-CD1 4.41Å; F521-Q525 VanDerWaalsContact CA-O 3.23Å; F521-Q525 WeakPolarHBondContact CA-O 3.18Å; F521-Q525 WeakPolarHBondContact CB-O 3.34Å; F521-I526 HydrophobicContact CB-CB 4.18Å; F521-I526 HydrophobicContact CB-CG1 3.73Å; F521-I526 HydrophobicContact CB-CG2 4.38Å
522D95.3Very high96.5Very high37 Ų3726.2 Ų26.220%0.19813%0.133CC..  trans-126.9-172.9170.260.946.7000108.7R205 W244 Y269 F524 Q525R205-D522 IonicContact NH2-OD1 3.48Å; R205-D522 IonicContact NH2-OD2 3.45Å; R205-D522 PolarHBondContact NH2-OD2 2.8Å; W244-D522 WeakPolarHBondContact CZ2-O 3.28Å; Y269-D522 WeakPolarHBondContact CE2-OD2 3.24Å; Y269-D522 WeakPolarHBondContact OH-CB 3.35Å; Y269-D522 PolarHBondContact OH-N 3.28Å; Y269-D522 VanDerWaalsContact OH-N 3.14Å; Y269-D522 PolarHBondContact OH-OD2 3.5Å; D522-F524 PolarHBondContact O-N 2.78Å; D522-F524 VanDerWaalsContact O-N 3.1Å; D522-F524 WeakPolarHBondContact OD1-CA 3.22Å; D522-F524 WeakPolarHBondContact OD1-CB 3.28Å; D522-F524 PolarHBondContact OD1-N 2.96Å; D522-Q525 PolarHBondContact N-O 3.49Å; D522-Q525 PolarHBondContact OD1-N 2.63Å; D522-Q525 WeakPolarHBondContact OD2-CG 3.34Å; D522-Q525 PolarHBondContact OD2-NE2 3.44Å
523E94.4Very high96.5Very high25 Ų2525.9 Ų25.912%0.11713%0.132CC..SBendtrans-60.3-20.1-179.7-70.5-72.3158.400114.1L198 W244 K475L198-E523 HydrophobicContact CB-CG 4.13Å; L198-E523 HydrophobicContact CD1-CB 3.69Å; L198-E523 HydrophobicContact CD1-CG 4.09Å; W244-E523 PolarHBondContact NE1-O 2.6Å; K475-E523 WeakPolarHBondContact CE-OE2 3.48Å; K475-E523 IonicContact NZ-OE1 3.83Å; K475-E523 IonicContact NZ-OE2 2.83Å; K475-E523 PolarHBondContact NZ-OE2 3.23Å
524F95Very high96.6Very high7 Ų721 Ų213%0.03110%0.097CC..SBendtrans-112.7-32.1-170.9-50.8-68.7000113.7L198 L202 I240 D522 F540 L541L198-F524 HydrophobicContact CD1-CD1 4.48Å; L198-F524 HydrophobicContact CD1-CE1 3.59Å; L198-F524 HydrophobicContact CD1-CZ 3.79Å; L202-F524 HydrophobicContact CD2-CD1 4.4Å; L202-F524 HydrophobicContact CD2-CE1 3.56Å; L202-F524 HydrophobicContact CD2-CZ 4.21Å; L202-F524 HydrophobicContact CG-CE1 3.61Å; L202-F524 HydrophobicContact CG-CZ 3.88Å; I240-F524 HydrophobicContact CD1-CD1 4.24Å; I240-F524 HydrophobicContact CD1-CE1 4.17Å; D522-F524 PolarHBondContact O-N 2.78Å; D522-F524 VanDerWaalsContact O-N 3.1Å; D522-F524 WeakPolarHBondContact OD1-CA 3.22Å; D522-F524 WeakPolarHBondContact OD1-CB 3.28Å; D522-F524 PolarHBondContact OD1-N 2.96Å; F524-F540 WeakPolarHBondContact O-CB 3.06Å; F524-F540 WeakPolarHBondContact O-CD2 3.19Å; F524-F540 PolarHBondContact O-N 3.4Å; F524-L541 HydrophobicContact CB-CB 4.41Å; F524-L541 HydrophobicContact CD1-CB 4.37Å; F524-L541 HydrophobicContact CD1-CD1 4.43Å; F524-L541 HydrophobicContact CD1-CD2 4.32Å
525Q95.9Very high96.8Very high4 Ų420.4 Ų20.42%0.0199%0.091CC..EExtended strand (participates in β ladder)trans-144156.3-172.676.8-160.8-42.200113.5Y269 F521 D522 I527 W538Y269-Q525 HydrophobicContact CE2-CG 4.49Å; F521-Q525 VanDerWaalsContact CA-O 3.23Å; F521-Q525 WeakPolarHBondContact CA-O 3.18Å; F521-Q525 WeakPolarHBondContact CB-O 3.34Å; D522-Q525 PolarHBondContact N-O 3.49Å; D522-Q525 PolarHBondContact OD1-N 2.63Å; D522-Q525 WeakPolarHBondContact OD2-CG 3.34Å; D522-Q525 PolarHBondContact OD2-NE2 3.44Å; Q525-I527 HydrophobicContact CG-CG1 4.45Å; Q525-W538 CarbonylContact C-O 3.59Å; Q525-W538 WeakPolarHBondContact CA-O 3.45Å; Q525-W538 VanDerWaalsContact CB-O 3.25Å; Q525-W538 WeakPolarHBondContact CB-O 3.43Å
526I98.2Very high96.8Very high0 Ų014.8 Ų14.80%07%0.07CC..EExtended strand (participates in β ladder)trans-109.4138.6163.3-57.4161.7000107.2W244 V478 V488 L509 L519 F521 W538 F540W244-I526 HydrophobicContact CH2-CD1 3.9Å; W244-I526 HydrophobicContact CH2-CG1 3.55Å; W244-I526 HydrophobicContact CZ3-CD1 3.69Å; W244-I526 HydrophobicContact CZ3-CG1 3.91Å; V478-I526 HydrophobicContact CG1-CD1 3.96Å; V478-I526 HydrophobicContact CG1-CG1 4.39Å; V478-I526 HydrophobicContact CG1-CG2 4.47Å; V478-I526 HydrophobicContact CG2-CD1 4.48Å; V488-I526 HydrophobicContact CG2-CD1 4.38Å; L509-I526 HydrophobicContact CD1-CD1 3.93Å; L519-I526 HydrophobicContact CB-CG2 4.39Å; F521-I526 HydrophobicContact CB-CB 4.18Å; F521-I526 HydrophobicContact CB-CG1 3.73Å; F521-I526 HydrophobicContact CB-CG2 4.38Å; I526-W538 HydrophobicContact CB-CB 4.03Å; I526-W538 HydrophobicContact CB-CG 4.11Å; I526-W538 PolarHBondContact N-O 3.31Å; I526-W538 VanDerWaalsContact O-CD1 3.26Å; I526-W538 PolarHBondContact O-N 2.91Å; I526-F540 HydrophobicContact CD1-CE2 3.8Å; I526-F540 HydrophobicContact CD1-CZ 4.01Å; I526-F540 HydrophobicContact CG1-CE2 3.96Å
527I98.4Very high96.8Very high0 Ų014.8 Ų14.80%07%0.07CC..EExtended strand (participates in β ladder)trans-116.3120.8164-53.7-168.6000107.7L267 Y269 I274 K288 L519 Q520 Q525 I535 L536 I537L267-I527 HydrophobicContact CD1-CB 4.17Å; L267-I527 HydrophobicContact CD1-CG2 3.92Å; L267-I527 HydrophobicContact CD2-CG2 4.27Å; Y269-I527 HydrophobicContact CD1-CB 3.83Å; Y269-I527 HydrophobicContact CD1-CD1 3.44Å; Y269-I527 VanDerWaalsContact CD1-CD1 3.44Å; Y269-I527 HydrophobicContact CD1-CG1 3.73Å; Y269-I527 HydrophobicContact CD2-CD1 3.77Å; Y269-I527 HydrophobicContact CE1-CB 3.94Å; Y269-I527 HydrophobicContact CE1-CD1 3.84Å; Y269-I527 HydrophobicContact CE1-CG1 3.7Å; Y269-I527 HydrophobicContact CE2-CD1 4.19Å; Y269-I527 HydrophobicContact CG-CD1 3.39Å; Y269-I527 HydrophobicContact CG-CG1 4.19Å; I274-I527 HydrophobicContact CD1-CD1 3.87Å; I274-I527 HydrophobicContact CD1-CG2 4.46Å; I274-I527 HydrophobicContact CG1-CD1 4.12Å; K288-I527 HydrophobicContact CD-CD1 4.14Å; L519-I527 CarbonylContact C-O 3.53Å; L519-I527 WeakPolarHBondContact CA-O 3.47Å; Q520-I527 PolarHBondContact N-O 3.21Å; Q520-I527 PolarHBondContact O-N 2.8Å; Q525-I527 HydrophobicContact CG-CG1 4.45Å; I527-I535 HydrophobicContact CG2-CG2 3.52Å; I527-L536 CarbonylContact C-O 3.51Å; I527-L536 VanDerWaalsContact CA-O 3.32Å; I527-L536 WeakPolarHBondContact CA-O 3.43Å; I527-I537 HydrophobicContact CD1-CG1 4.26Å; I527-I537 HydrophobicContact CG1-CG1 4.25Å; I527-I537 HydrophobicContact CG1-CG2 4.31Å; I527-I537 HydrophobicContact CG2-CG1 4.38Å
528S98.3Very high96.8Very high0 Ų014.5 Ų14.50%07%0.068CC..EExtended strand (participates in β ladder)trans-124.3145.9-178.361.90000111.7I486 H512 R518 I535 L536 W538I486-S528 WeakPolarHBondContact CD1-OG 3.42Å; H512-S528 PolarHBondContact NE2-OG 3Å; R518-S528 CarbonylContact O-C 3.58Å; R518-S528 WeakPolarHBondContact O-CA 3.23Å; S528-I535 CarbonylContact O-C 3.54Å; S528-I535 VanDerWaalsContact O-CA 3.31Å; S528-I535 WeakPolarHBondContact O-CA 3.49Å; S528-L536 PolarHBondContact N-O 3.49Å; S528-L536 PolarHBondContact O-N 2.8Å; S528-W538 PolarHBondContact OG-NE1 3.28Å
529S97.9Very high96.6Very high0 Ų013 Ų130%06%0.063CC..EExtended strand (participates in β ladder)trans-123.5149.1175.978.40000111.2V264 L267 F517 R518 T534V264-S529 PolarHBondContact O-OG 2.88Å; L267-S529 VanDerWaalsContact CD2-CB 3.48Å; F517-S529 PolarHBondContact N-O 2.79Å; R518-S529 PolarHBondContact N-O 2.92Å; R518-S529 PolarHBondContact O-N 3.32Å; S529-T534 WeakPolarHBondContact CA-O 3.36Å
530S97.3Very high96.5Very high0 Ų013 Ų130%06%0.064CC..EExtended strand (participates in β ladder)trans-139.2166.9-170.3169.50000112.8V264 H512 G514 R515 D532 D533 T534V264-S530 PolarHBondContact N-O 3.15Å; V264-S530 VanDerWaalsContact N-O 3.13Å; H512-S530 WeakPolarHBondContact CE1-CB 3.29Å; H512-S530 WeakPolarHBondContact ND1-CB 3.33Å; G514-S530 PolarHBondContact O-OG 2.87Å; R515-S530 CarbonylContact O-C 3.5Å; R515-S530 VanDerWaalsContact O-CA 3.27Å; R515-S530 WeakPolarHBondContact O-CA 3.42Å; R515-S530 PolarHBondContact O-OG 3.01Å; S530-D532 WeakPolarHBondContact CB-OD1 3.36Å; S530-D532 PolarHBondContact O-N 3.13Å; S530-D532 PolarHBondContact OG-N 2.79Å; S530-D532 PolarHBondContact OG-OD1 2.8Å; S530-D532 PolarHBondContact OG-OD2 2.99Å; S530-D533 PolarHBondContact O-N 3.22Å; S530-T534 PolarHBondContact N-O 3.42Å
531H95.4Very high96.1Very high70 Ų7011.3 Ų11.332%0.3246%0.056SC..THydrogen-bonded Turntrans-63.5-21.9169.7-177.1-91.3000113.2R515 F517 D533R515-H531 HydrophobicContact CB-CB 4.17Å; R515-H531 PolarHBondContact O-N 3.31Å; F517-H531 HydrophobicContact CD2-CB 4.29Å; F517-H531 VanDerWaalsContact CE2-CA 3.49Å; F517-H531 HydrophobicContact CE2-CB 3.51Å; F517-H531 AromaticContact CE2-CD2 3.89Å; F517-H531 HydrophobicContact CZ-CB 3.74Å; F517-H531 AromaticContact CZ-CD2 3.76Å; H531-D533 PolarHBondContact O-N 3.29Å; H531-D533 VanDerWaalsContact O-N 3.1Å
532D92.9Very high95.6Very high31 Ų3114.1 Ų14.117%0.1667%0.072CC..THydrogen-bonded Turntrans-72.17.8176.762.119.7000114.4H512 S513 S530 T534H512-D532 IonicContact CG-OD2 2.87Å; H512-D532 IonicContact ND1-OD1 2.92Å; H512-D532 IonicContact ND1-OD2 3.56Å; H512-D532 PolarHBondContact ND1-OD2 3.46Å; S513-D532 PolarHBondContact N-OD2 3.39Å; S513-D532 VanDerWaalsContact OG-CB 3.23Å; S513-D532 WeakPolarHBondContact OG-CB 3.47Å; S513-D532 PolarHBondContact OG-OD2 3.14Å; S530-D532 WeakPolarHBondContact CB-OD1 3.36Å; S530-D532 PolarHBondContact O-N 3.13Å; S530-D532 PolarHBondContact OG-N 2.79Å; S530-D532 PolarHBondContact OG-OD1 2.8Å; S530-D532 PolarHBondContact OG-OD2 2.99Å; D532-T534 VanDerWaalsContact C-N 3.26Å; D532-T534 PolarHBondContact O-N 2.92Å; D532-T534 WeakPolarHBondContact OD1-CB 3.35Å; D532-T534 PolarHBondContact OD1-N 2.95Å; D532-T534 VanDerWaalsContact OD1-N 3.1Å; D532-T534 PolarHBondContact OD1-OG1 3.49Å
533D93.7Very high95.2Very high5 Ų513.2 Ų13.23%0.0277%0.068CC..SBendtrans69.620.1179.2-147.449.4000114.5C256 R257 S258 K262 G263 S530 H531C256-D533 WeakPolarHBondContact CB-O 3.44Å; C256-D533 PolarHBondContact N-O 3.49Å; R257-D533 PolarHBondContact N-OD2 3Å; S258-D533 WeakPolarHBondContact CB-OD1 3.34Å; S258-D533 WeakPolarHBondContact CB-OD2 3.23Å; S258-D533 PolarHBondContact N-OD2 2.92Å; S258-D533 VanDerWaalsContact OG-CG 3.31Å; S258-D533 PolarHBondContact OG-OD1 3.46Å; S258-D533 PolarHBondContact OG-OD2 3.32Å; K262-D533 HydrophobicContact CB-CB 4.02Å; K262-D533 HydrophobicContact CD-CB 4.4Å; K262-D533 HydrophobicContact CG-CB 4.23Å; G263-D533 PolarHBondContact N-OD1 3.49Å; S530-D533 PolarHBondContact O-N 3.22Å; H531-D533 PolarHBondContact O-N 3.29Å; H531-D533 VanDerWaalsContact O-N 3.1Å
534T96.3Very high94.5Very high9 Ų914 Ų146%0.0558%0.075CC..EExtended strand (participates in β ladder)trans-111.2147.1178.9710000113.1I254 Q255 H512 S529 S530 D532I254-T534 WeakPolarHBondContact O-CA 3.44Å; Q255-T534 VanDerWaalsContact NE2-CG2 3.35Å; H512-T534 PolarHBondContact CE1-OG1 3.44Å; H512-T534 PolarHBondContact ND1-OG1 3.1Å; S529-T534 WeakPolarHBondContact CA-O 3.36Å; S530-T534 PolarHBondContact N-O 3.42Å; D532-T534 VanDerWaalsContact C-N 3.26Å; D532-T534 PolarHBondContact O-N 2.92Å; D532-T534 WeakPolarHBondContact OD1-CB 3.35Å; D532-T534 PolarHBondContact OD1-N 2.95Å; D532-T534 VanDerWaalsContact OD1-N 3.1Å; D532-T534 PolarHBondContact OD1-OG1 3.49Å
535I97.8Very high92.9Very high0 Ų018.5 Ų18.50%011%0.105CC..EExtended strand (participates in β ladder)trans-107.8124159.5-59.8169.3000106.9I254 V264 I274 I527 S528I254-I535 HydrophobicContact CB-CB 4.18Å; I254-I535 PolarHBondContact N-O 2.79Å; I254-I535 PolarHBondContact O-N 3.35Å; V264-I535 HydrophobicContact CG1-CD1 4.46Å; V264-I535 HydrophobicContact CG1-CG1 4.36Å; V264-I535 HydrophobicContact CG2-CG1 4.42Å; I274-I535 HydrophobicContact CG2-CD1 4.48Å; I527-I535 HydrophobicContact CG2-CG2 3.52Å; S528-I535 CarbonylContact O-C 3.54Å; S528-I535 VanDerWaalsContact O-CA 3.31Å; S528-I535 WeakPolarHBondContact O-CA 3.49Å
536L97.9Very high91Very high0 Ų022.6 Ų22.60%013%0.134CC..EExtended strand (participates in β ladder)trans-106133176.5-61.7-176000109.8L251 Q252 R253 E511 H512 I527 S528 W538L251-L536 HydrophobicContact CD1-CB 4.15Å; L251-L536 HydrophobicContact CD1-CD1 4.47Å; L251-L536 HydrophobicContact CD1-CD2 4.45Å; Q252-L536 WeakPolarHBondContact O-CA 3.42Å; R253-L536 HydrophobicContact CB-CD2 4.04Å; R253-L536 HydrophobicContact CG-CD2 3.39Å; E511-L536 HydrophobicContact CB-CD1 3.81Å; H512-L536 WeakPolarHBondContact CE1-CD1 3.15Å; H512-L536 WeakPolarHBondContact CE1-CG 3.27Å; H512-L536 WeakPolarHBondContact ND1-CD1 3.46Å; I527-L536 CarbonylContact C-O 3.51Å; I527-L536 VanDerWaalsContact CA-O 3.32Å; I527-L536 WeakPolarHBondContact CA-O 3.43Å; S528-L536 PolarHBondContact N-O 3.49Å; S528-L536 PolarHBondContact O-N 2.8Å; L536-W538 HydrophobicContact CB-CZ2 4.5Å; L536-W538 HydrophobicContact CD1-CZ2 3.77Å
537I97.7Very high89Confident0 Ų023.6 Ų23.60%014%0.142CC..EExtended strand (participates in β ladder)trans-110.9116.2173.1-54.1167.3000107.1L251 Q252 I254 I274 K288 L291 I527L251-I537 WeakPolarHBondContact CA-O 3.38Å; Q252-I537 HydrophobicContact CB-CB 4.2Å; Q252-I537 HydrophobicContact CB-CD1 4.47Å; Q252-I537 PolarHBondContact N-O 2.83Å; Q252-I537 PolarHBondContact O-N 2.76Å; I254-I537 HydrophobicContact CD1-CD1 4.38Å; I274-I537 HydrophobicContact CD1-CD1 3.91Å; I274-I537 HydrophobicContact CD1-CG1 4.39Å; K288-I537 HydrophobicContact CD-CD1 4.4Å; L291-I537 HydrophobicContact CD2-CD1 3.5Å; L291-I537 VanDerWaalsContact CD2-CD1 3.5Å; I527-I537 HydrophobicContact CD1-CG1 4.26Å; I527-I537 HydrophobicContact CG1-CG1 4.25Å; I527-I537 HydrophobicContact CG1-CG2 4.31Å; I527-I537 HydrophobicContact CG2-CG1 4.38Å
538W97.1Very high86.8Confident1 Ų129.3 Ų29.30%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-104.399.1-178.4-48.174000108H249 L251 I486 L509 E511 Q525 I526 S528 L536 F540H249-W538 AromaticContact CD2-CE3 3.49Å; H249-W538 VanDerWaalsContact CD2-CE3 3.49Å; H249-W538 AromaticContact CE1-CE3 3.92Å; H249-W538 AromaticContact CE1-CZ3 3.87Å; H249-W538 AromaticContact NE2-CE3 3.37Å; H249-W538 AromaticContact NE2-CZ3 3.45Å; H249-W538 WeakPolarHBondContact NE2-CZ3 3.4Å; L251-W538 HydrophobicContact CD1-CD2 3.8Å; L251-W538 HydrophobicContact CD1-CE3 3.88Å; L251-W538 HydrophobicContact CD1-CG 4.2Å; L251-W538 HydrophobicContact CD1-CZ3 4.29Å; I486-W538 HydrophobicContact CD1-CZ2 3.92Å; L509-W538 HydrophobicContact CB-CE3 4.33Å; L509-W538 HydrophobicContact CB-CH2 3.75Å; L509-W538 HydrophobicContact CB-CZ3 3.65Å; L509-W538 HydrophobicContact CD1-CD2 4.43Å; L509-W538 HydrophobicContact CD1-CE3 4.01Å; L509-W538 HydrophobicContact CD1-CZ3 4.19Å; L509-W538 HydrophobicContact CD2-CZ3 4.46Å; L509-W538 HydrophobicContact CG-CZ3 4.31Å; E511-W538 HydrophobicContact CB-CH2 3.32Å; E511-W538 HydrophobicContact CB-CZ2 3.9Å; E511-W538 HydrophobicContact CB-CZ3 4Å; E511-W538 HydrophobicContact CG-CH2 3.3Å; E511-W538 HydrophobicContact CG-CZ2 4.28Å; E511-W538 HydrophobicContact CG-CZ3 3.43Å; E511-W538 VanDerWaalsContact CG-CZ3 3.43Å; Q525-W538 CarbonylContact C-O 3.59Å; Q525-W538 WeakPolarHBondContact CA-O 3.45Å; Q525-W538 VanDerWaalsContact CB-O 3.25Å; Q525-W538 WeakPolarHBondContact CB-O 3.43Å; I526-W538 HydrophobicContact CB-CB 4.03Å; I526-W538 HydrophobicContact CB-CG 4.11Å; I526-W538 PolarHBondContact N-O 3.31Å; I526-W538 VanDerWaalsContact O-CD1 3.26Å; I526-W538 PolarHBondContact O-N 2.91Å; S528-W538 PolarHBondContact OG-NE1 3.28Å; L536-W538 HydrophobicContact CB-CZ2 4.5Å; L536-W538 HydrophobicContact CD1-CZ2 3.77Å; W538-F540 HydrophobicContact CB-CE2 4.09Å; W538-F540 HydrophobicContact CB-CZ 4.38Å
539D95.6Very high84.3Confident14 Ų1436.1 Ų36.18%0.07521%0.206CC..EExtended strand (participates in β ladder)trans-97117.8-178-179.310.4000111.1H249 N250 L541 N542H249-D539 CarbonylContact C-O 3.57Å; H249-D539 VanDerWaalsContact CA-O 3.22Å; H249-D539 WeakPolarHBondContact CA-O 3.44Å; N250-D539 HydrophobicContact CB-CB 4.29Å; N250-D539 PolarHBondContact N-O 3.28Å; N250-D539 PolarHBondContact O-N 2.61Å; D539-L541 WeakPolarHBondContact OD1-CB 3.25Å; D539-L541 PolarHBondContact OD1-N 3.21Å; D539-N542 PolarHBondContact OD1-N 2.97Å; D539-N542 VanDerWaalsContact OD2-CB 3.3Å; D539-N542 WeakPolarHBondContact OD2-CB 3.47Å; D539-N542 PolarHBondContact OD2-N 3.28Å; D539-N542 PolarHBondContact OD2-ND2 2.99Å
540F94.6Very high81.7Confident2 Ų242 Ų421%0.00923%0.233CC..SBendtrans-94.7-4.8178.5-60.5-86.7000113.1N243 W244 R248 H249 L509 F524 I526 W538N243-F540 HydrophobicContact CB-CB 4.34Å; N243-F540 PolarHBondContact ND2-O 2.84Å; W244-F540 AromaticContact CD1-CG 3.89Å; W244-F540 HydrophobicContact CD2-CB 4.33Å; W244-F540 AromaticContact CD2-CD1 3.98Å; W244-F540 HydrophobicContact CD2-CD1 3.98Å; W244-F540 AromaticContact CD2-CD2 3.65Å; W244-F540 HydrophobicContact CD2-CD2 3.65Å; W244-F540 HydrophobicContact CD2-CE1 4.2Å; W244-F540 AromaticContact CD2-CE2 3.89Å; W244-F540 HydrophobicContact CD2-CE2 3.89Å; W244-F540 AromaticContact CD2-CG 3.71Å; W244-F540 HydrophobicContact CD2-CG 3.71Å; W244-F540 HydrophobicContact CD2-CZ 4.16Å; W244-F540 AromaticContact CE2-CD2 3.3Å; W244-F540 AromaticContact CE2-CE2 3.85Å; W244-F540 AromaticContact CE2-CG 3.61Å; W244-F540 HydrophobicContact CE3-CD1 4.46Å; W244-F540 HydrophobicContact CE3-CD2 4.08Å; W244-F540 HydrophobicContact CE3-CE1 4.21Å; W244-F540 AromaticContact CE3-CE2 3.81Å; W244-F540 HydrophobicContact CE3-CE2 3.81Å; W244-F540 HydrophobicContact CE3-CG 4.4Å; W244-F540 AromaticContact CE3-CZ 3.89Å; W244-F540 HydrophobicContact CE3-CZ 3.89Å; W244-F540 HydrophobicContact CG-CB 4.19Å; W244-F540 HydrophobicContact CG-CD1 4.03Å; W244-F540 HydrophobicContact CG-CD2 4.35Å; W244-F540 AromaticContact CG-CG 3.93Å; W244-F540 HydrophobicContact CG-CG 3.93Å; W244-F540 AromaticContact CH2-CD2 3.89Å; W244-F540 HydrophobicContact CH2-CD2 3.89Å; W244-F540 AromaticContact CH2-CE2 3.67Å; W244-F540 HydrophobicContact CH2-CE2 3.67Å; W244-F540 HydrophobicContact CH2-CZ 4.48Å; W244-F540 AromaticContact CZ2-CD2 3.43Å; W244-F540 HydrophobicContact CZ2-CD2 3.43Å; W244-F540 VanDerWaalsContact CZ2-CD2 3.43Å; W244-F540 AromaticContact CZ2-CE2 3.74Å; W244-F540 HydrophobicContact CZ2-CE2 3.74Å; W244-F540 HydrophobicContact CZ2-CG 4.22Å; W244-F540 HydrophobicContact CZ3-CD2 4.2Å; W244-F540 AromaticContact CZ3-CE2 3.72Å; W244-F540 HydrophobicContact CZ3-CE2 3.72Å; W244-F540 HydrophobicContact CZ3-CZ 4.07Å; W244-F540 AromaticContact NE1-CD2 3.79Å; W244-F540 AromaticContact NE1-CG 3.7Å; R248-F540 VanDerWaalsContact O-CD1 3.28Å; R248-F540 WeakPolarHBondContact O-CD1 3.34Å; H249-F540 HydrophobicContact CB-CD1 4.01Å; H249-F540 HydrophobicContact CB-CE1 3.89Å; H249-F540 HydrophobicContact CB-CZ 4.32Å; L509-F540 HydrophobicContact CD1-CZ 4.06Å; F524-F540 WeakPolarHBondContact O-CB 3.06Å; F524-F540 WeakPolarHBondContact O-CD2 3.19Å; F524-F540 PolarHBondContact O-N 3.4Å; I526-F540 HydrophobicContact CD1-CE2 3.8Å; I526-F540 HydrophobicContact CD1-CZ 4.01Å; I526-F540 HydrophobicContact CG1-CE2 3.96Å; W538-F540 HydrophobicContact CB-CE2 4.09Å; W538-F540 HydrophobicContact CB-CZ 4.38Å
541L91.5Very high78.9Confident10 Ų1048 Ų485%0.05227%0.27CS..SBendtrans-88.3-56177.4-179.766.8000111.4L202 R205 I240 F524 D539 V543L202-L541 HydrophobicContact CD2-CD1 3.8Å; R205-L541 HydrophobicContact CB-CD2 3.94Å; R205-L541 HydrophobicContact CG-CD2 4.43Å; I240-L541 HydrophobicContact CD1-CD1 3.45Å; I240-L541 VanDerWaalsContact CD1-CD1 3.45Å; I240-L541 HydrophobicContact CG1-CD1 3.82Å; F524-L541 HydrophobicContact CB-CB 4.41Å; F524-L541 HydrophobicContact CD1-CB 4.37Å; F524-L541 HydrophobicContact CD1-CD1 4.43Å; F524-L541 HydrophobicContact CD1-CD2 4.32Å; D539-L541 WeakPolarHBondContact OD1-CB 3.25Å; D539-L541 PolarHBondContact OD1-N 3.21Å; L541-V543 PolarHBondContact O-N 3Å
542N87.1Confident76.3Confident82 Ų8254.3 Ų54.344%0.43929%0.291SS..SBendtrans-95.464-176-54.4-61.2000111.6N250 D539N250-N542 WeakPolarHBondContact CB-O 3.48Å; D539-N542 PolarHBondContact OD1-N 2.97Å; D539-N542 VanDerWaalsContact OD2-CB 3.3Å; D539-N542 WeakPolarHBondContact OD2-CB 3.47Å; D539-N542 PolarHBondContact OD2-N 3.28Å; D539-N542 PolarHBondContact OD2-ND2 2.99Å
543V85.6Confident73.3Confident18 Ų1857.4 Ų57.411%0.10932%0.315CS..  trans-78124.5179.6179.80000110.1N243 R248 L541 A547N243-V543 HydrophobicContact CB-CG2 4.37Å; N243-V543 WeakPolarHBondContact ND2-CG2 3.46Å; R248-V543 HydrophobicContact CB-CG1 4Å; R248-V543 HydrophobicContact CB-CG2 4.46Å; L541-V543 PolarHBondContact O-N 3Å; V543-A547 HydrophobicContact CG1-CB 3.71Å
544P79.7Confident70.6Confident42 Ų4261.5 Ų61.527%0.27334%0.341SS..  trans-65148.9178.126.3-33.8000111.2S546 A547P544-S546 PolarHBondContact O-N 3.24Å; P544-S546 VanDerWaalsContact O-N 3.09Å; P544-A547 HydrophobicContact CG-CB 4.21Å; P544-A547 PolarHBondContact O-N 2.73Å
545P61.5Low67.5Low100 Ų10065.9 Ų65.965%0.64937%0.373SS*.G310 helixtrans-57.3-28.6-179.6-23.331.9000113.6A547 Q548P545-A547 VanDerWaalsContact C-N 3.26Å; P545-A547 PolarHBondContact O-N 2.99Å; P545-Q548 WeakPolarHBondContact O-CB 3.27Å; P545-Q548 PolarHBondContact O-N 2.95Å; P545-Q548 VanDerWaalsContact O-N 3.08Å
546S57Low64.4Low90 Ų9075.9 Ų75.963%0.62941%0.41SS*.G310 helixtrans-60.9-33.517651.90000113P544 Q548P544-S546 PolarHBondContact O-N 3.24Å; P544-S546 VanDerWaalsContact O-N 3.09Å; S546-Q548 VanDerWaalsContact C-N 3.31Å
547A55.2Low61.1Low22 Ų2282 Ų8218%0.18245%0.448CS..G310 helixtrans-80.5-8.9177.100000113.3R248 V543 P544 P545R248-A547 VanDerWaalsContact CD-O 3.25Å; R248-A547 WeakPolarHBondContact CD-O 3.16Å; V543-A547 HydrophobicContact CG1-CB 3.71Å; P544-A547 HydrophobicContact CG-CB 4.21Å; P544-A547 PolarHBondContact O-N 2.73Å; P545-A547 VanDerWaalsContact C-N 3.26Å; P545-A547 PolarHBondContact O-N 2.99Å
548Q52.3Low57.8Low120 Ų12090.4 Ų90.456%0.56148%0.481SS*.G310 helixtrans-76-25174.3-62.8-174.9-9.800112.5P545 S546P545-Q548 WeakPolarHBondContact O-CB 3.27Å; P545-Q548 PolarHBondContact O-N 2.95Å; P545-Q548 VanDerWaalsContact O-N 3.08Å; S546-Q548 VanDerWaalsContact C-N 3.31Å
549N45.8Very low54.7Low143 Ų14396.2 Ų96.277%0.76552%0.517SS*.SBendtrans-88-16.7179.6-78.1-15.3000113.9T551N549-T551 VanDerWaalsContact C-N 3.3Å; N549-T551 PolarHBondContact O-N 2.98Å
550E44.3Very low51.5Low124 Ų124106 Ų10658%0.57955%0.554SS**  trans-82.675.6174.8-69.7-160.4177.100110.8R552E550-R552 PolarHBondContact O-N 3.35Å; E550-R552 IonicContact OE2-NE 2.92Å
551T38.7Very low48.6Very low125 Ų125113.1 Ų113.177%0.76759%0.591SS**  trans-70.673.215237.50000108.1N549 S553N549-T551 VanDerWaalsContact C-N 3.3Å; N549-T551 PolarHBondContact O-N 2.98Å; T551-S553 VanDerWaalsContact C-N 3.3Å; T551-S553 PolarHBondContact O-N 3.24Å
552R41.1Very low46Very low203 Ų203117.9 Ų117.977%0.76663%0.625SS**  trans-63.1101.6162.8-87.9-174.3175.5-171-0.8106.7E550E550-R552 PolarHBondContact O-N 3.35Å; E550-R552 IonicContact OE2-NE 2.92Å
553S29.2Very low43.5Very low96 Ų96129 Ų12967%0.67166%0.661SS**  trans-44.8144.1167.736.80000109.5T551 S555T551-S553 VanDerWaalsContact C-N 3.3Å; T551-S553 PolarHBondContact O-N 3.24Å; S553-S555 PolarHBondContact O-N 3.37Å
554P37.5Very low41.4Very low90 Ų90134.5 Ų134.558%0.58469%0.688SS**  trans-54.8121173.923.5-31000107.2R556P554-R556 PolarHBondContact O-N 3.35Å
555S30.7Very low39.4Very low102 Ų102139.4 Ų139.471%0.71371%0.71SS**  trans-53.1107.4172.414.70000106.8S553 T557S553-S555 PolarHBondContact O-N 3.37Å; S555-T557 PolarHBondContact O-N 2.93Å
556R31.7Very low38.2Very low209 Ų209141.6 Ų141.679%0.78971%0.713SS**  trans-60.3105.4173.1-78.6-178.5173179.1-1.5106.7P554 Y558P554-R556 PolarHBondContact O-N 3.35Å; R556-Y558 VanDerWaalsContact C-N 3.34Å; R556-Y558 PolarHBondContact O-N 2.61Å
557T29.9Very low37.1Very low129 Ų129144.6 Ų144.679%0.79172%0.718SS**  trans-6697.5166.3-440000107.1S555 T559S555-T557 PolarHBondContact O-N 2.93Å; T557-T559 PolarHBondContact O-N 2.73Å; T557-T559 VanDerWaalsContact O-N 3.09Å
558Y28.8Very low36Very low177 Ų177152.3 Ų152.369%0.69475%0.752SS**  trans-67.2104.8167.5-85.9-84.6000107.9R556 Y560R556-Y558 VanDerWaalsContact C-N 3.34Å; R556-Y558 PolarHBondContact O-N 2.61Å; Y558-Y560 PolarHBondContact O-N 3.32Å
559T31.1Very low34.9Very low123 Ų123154.4 Ų154.476%0.75577%0.765SS**  trans-73.3102.2164.12.70000107T557 I561T557-T559 PolarHBondContact O-N 2.73Å; T557-T559 VanDerWaalsContact O-N 3.09Å; T559-I561 PolarHBondContact O-N 3.4Å; T559-I561 VanDerWaalsContact O-N 3.15Å
560Y29.2Very low34.1Very low218 Ų218155.2 Ų155.286%0.85577%0.765SS**  trans-69.2105.6164.9-90.2-88.2000108Y558 S562Y558-Y560 PolarHBondContact O-N 3.32Å; Y560-S562 PolarHBondContact O-N 3.46Å
561I33.4Very low33.3Very low153 Ų153157.6 Ų157.679%0.78578%0.779SS**  trans-84.7102.6162.7-59.5174000105.8T559T559-I561 PolarHBondContact O-N 3.4Å; T559-I561 VanDerWaalsContact O-N 3.15Å
562S35.7Very low32.9Very low110 Ų110160.3 Ų160.377%0.76978%0.78SS**  trans-71.6126.4165.3520000108.8Y560Y560-S562 PolarHBondContact O-N 3.46Å
563R36.2Very low32.1Very low314 Ų314156.5 Ų156.5100%1.18578%0.781SS**  trans-63.20172.7-78.5-177176.2-179.5-1.4112.5

Retrieved 563 of 563 residues in 194.5 ms (Link to these results)

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