A0A3Q0KLL0_SCHMA Loading...

UDENN domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.3Very low65.5Low207 Ų20770.1 Ų70.1100%1.0238%0.375SS*.  01180-92.8-163.1-91.200106.6A3 P372M1-A3 PolarHBondContact O-N 3.43Å; M1-P372 HydrophobicContact CB-CG 4.23Å; M1-P372 HydrophobicContact CE-CB 3.81Å; M1-P372 HydrophobicContact SD-CB 4.09Å
2E48.2Very low66.4Low182 Ų18273.1 Ų73.185%0.8540%0.401SS*.  trans-72.7115.1176.9-69.8172.2-177.500108L4E2-L4 PolarHBondContact O-N 3.33Å
3A50.8Low67.6Low19 Ų1973.6 Ų73.616%0.15740%0.403CS..  trans-66.9119.917200000107.3M1 L82 L94M1-A3 PolarHBondContact O-N 3.43Å; A3-L82 HydrophobicContact CB-CD1 4.14Å; A3-L94 HydrophobicContact CB-CD1 3.99Å; A3-L94 HydrophobicContact CB-CD2 4.45Å; A3-L94 WeakPolarHBondContact O-CD1 3.3Å; A3-L94 VanDerWaalsContact O-CD2 3.23Å; A3-L94 WeakPolarHBondContact O-CD2 3.4Å
4L59.5Low68.7Low41 Ų4168.4 Ų68.422%0.21537%0.374CS..  trans-101126.2178.9-164.6130.1000108.6E2 A6 L36 F97E2-L4 PolarHBondContact O-N 3.33Å; L4-A6 HydrophobicContact CD2-CB 3.8Å; L4-L36 HydrophobicContact CD1-CD1 4.22Å; L4-L36 HydrophobicContact CD1-CD2 3.85Å; L4-L36 HydrophobicContact CD2-CD1 4.04Å; L4-L36 HydrophobicContact CD2-CD2 3.58Å; L4-L36 HydrophobicContact CD2-CG 4.49Å; L4-L36 HydrophobicContact CG-CD2 4.36Å; L4-F97 HydrophobicContact CD1-CD2 3.68Å; L4-F97 HydrophobicContact CD1-CE2 3.42Å; L4-F97 VanDerWaalsContact CD1-CE2 3.42Å; L4-F97 HydrophobicContact CD1-CZ 4.41Å; L4-F97 HydrophobicContact CD2-CD2 3.71Å; L4-F97 HydrophobicContact CD2-CE2 4.36Å; L4-F97 HydrophobicContact CG-CD2 3.67Å; L4-F97 HydrophobicContact CG-CE2 3.87Å
5L62.9Low69.7Low48 Ų4870.3 Ų70.325%0.25138%0.379SS..EExtended strand (participates in β ladder)trans-99.6106.4175.2-159.967.7000108.2L78 L94 F96 F97L5-L78 HydrophobicContact CD2-CB 3.3Å; L5-L78 HydrophobicContact CD2-CD1 3.3Å; L5-L78 HydrophobicContact CD2-CD2 4.05Å; L5-L78 HydrophobicContact CD2-CG 3.67Å; L5-L78 HydrophobicContact CG-CD1 4.31Å; L5-L94 HydrophobicContact CB-CB 4.42Å; L5-L94 HydrophobicContact CB-CD1 4.37Å; L5-F96 HydrophobicContact CB-CD2 4.4Å; L5-F96 HydrophobicContact CD2-CD2 4.3Å; L5-F96 HydrophobicContact CG-CD2 4.22Å; L5-F96 WeakPolarHBondContact O-CA 3.39Å; L5-F96 WeakPolarHBondContact O-CD2 3.35Å; L5-F97 PolarHBondContact O-N 3.37Å; L5-F97 VanDerWaalsContact O-N 3.11Å
6A69.6Low70.5Confident37 Ų3773.9 Ų73.931%0.30640%0.399SS..EExtended strand (participates in β ladder)trans-117.2140.2175.800000110.1L4 F32 F97 F99L4-A6 HydrophobicContact CD2-CB 3.8Å; A6-F32 HydrophobicContact CB-CZ 4.26Å; A6-F97 VanDerWaalsContact CA-O 3.22Å; A6-F97 WeakPolarHBondContact CA-O 3.33Å; A6-F97 HydrophobicContact CB-CB 4.49Å; A6-F99 HydrophobicContact CB-CD2 3.92Å; A6-F99 HydrophobicContact CB-CE2 3.7Å
7C71.1Confident71.3Confident28 Ų2869.5 Ų69.519%0.18938%0.375CS..EExtended strand (participates in β ladder)trans-108.7141.9162.677.10000109.2F96 F97 F99C7-F96 HydrophobicContact CB-CE2 4.06Å; C7-F96 HydrophobicContact CB-CZ 3.68Å; C7-F96 WeakPolarHBondContact SG-CZ 3.25Å; C7-F97 PolarHBondContact N-O 2.88Å; C7-F97 VanDerWaalsContact N-O 3.11Å; C7-F99 WeakPolarHBondContact O-CB 3.41Å; C7-F99 PolarHBondContact O-N 3.32Å
8I80.1Confident71.8Confident60 Ų6070.3 Ų70.331%0.30838%0.378SS..EExtended strand (participates in β ladder)trans-112.7110170.3-50-179.8000106.8I10 L21 L66 F99 V101I8-I10 HydrophobicContact CG2-CG1 4.02Å; I8-L21 HydrophobicContact CG2-CD1 4.25Å; I8-L66 HydrophobicContact CG2-CD1 4.34Å; I8-F99 CarbonylContact C-O 3.58Å; I8-F99 WeakPolarHBondContact CA-O 3.33Å; I8-F99 HydrophobicContact CB-CB 4.32Å; I8-F99 HydrophobicContact CG1-CB 4.02Å; I8-F99 HydrophobicContact CG2-CB 4.19Å; I8-V101 HydrophobicContact CG2-CG2 3.92Å
9D78.9Confident72.3Confident60 Ų6071.7 Ų71.732%0.32139%0.391SS..EExtended strand (participates in β ladder)trans-82.4121.4170.2-70.4-23.4000108.6P11 R98 F99 T100 V101D9-P11 WeakPolarHBondContact O-CD 3.44Å; D9-R98 IonicContact OD2-CZ 3.77Å; D9-R98 IonicContact OD2-NE 2.82Å; D9-R98 PolarHBondContact OD2-NE 3.37Å; D9-R98 IonicContact OD2-NH2 2.97Å; D9-R98 PolarHBondContact OD2-NH2 3.03Å; D9-F99 PolarHBondContact N-O 3.17Å; D9-T100 WeakPolarHBondContact O-CA 3.46Å; D9-V101 PolarHBondContact O-N 2.91Å; D9-V101 VanDerWaalsContact O-N 3.07Å
10I83.3Confident72.7Confident50 Ų5069.4 Ų69.426%0.25638%0.378SS..  trans-113.8104.1177.6-53.3176.2000106.3I8 C14 I18 L21 V101I8-I10 HydrophobicContact CG2-CG1 4.02Å; I10-C14 HydrophobicContact CG2-CB 4.08Å; I10-C14 WeakPolarHBondContact CG2-O 3.45Å; I10-I18 HydrophobicContact CD1-CD1 4.44Å; I10-I18 HydrophobicContact CD1-CG1 3.63Å; I10-I18 HydrophobicContact CG2-CG1 4.39Å; I10-L21 HydrophobicContact CD1-CD1 3.43Å; I10-L21 VanDerWaalsContact CD1-CD1 3.43Å; I10-L21 HydrophobicContact CG1-CD1 4.01Å; I10-V101 HydrophobicContact CG1-CG2 4.16Å
11P80.9Confident73.2Confident39 Ų3967.3 Ų67.325%0.25337%0.367SS..  trans-55.5151.9169.5-28.138.5000111.4D9 N13 C14 T100 V101D9-P11 WeakPolarHBondContact O-CD 3.44Å; P11-N13 VanDerWaalsContact C-N 3.26Å; P11-N13 WeakPolarHBondContact CB-OD1 3.44Å; P11-N13 PolarHBondContact O-N 3.01Å; P11-C14 WeakPolarHBondContact O-CA 3.42Å; P11-C14 WeakPolarHBondContact O-CB 3.41Å; P11-C14 PolarHBondContact O-N 3.26Å; P11-T100 HydrophobicContact CG-CG2 4.35Å; P11-V101 WeakPolarHBondContact CD-O 3.36Å; P11-V101 WeakPolarHBondContact CG-O 3.37Å
12P76.5Confident75.2Confident106 Ų10660.6 Ų60.669%0.68834%0.335SS*.G310 helixtrans-62.3-31.2-174.323.2-33.2000113.7C14 H15P12-C14 PolarHBondContact O-N 2.89Å; P12-H15 VanDerWaalsContact CA-CD2 3.41Å; P12-H15 WeakPolarHBondContact CA-CD2 3.32Å; P12-H15 PolarHBondContact O-CD2 2.94Å; P12-H15 PolarHBondContact O-N 3.49Å
13N81.4Confident76.6Confident80 Ų8055.8 Ų55.843%0.42832%0.315SS..G310 helixtrans-70.4-7.2173.864.3-22.1000113.9P11 E106P11-N13 VanDerWaalsContact C-N 3.26Å; P11-N13 WeakPolarHBondContact CB-OD1 3.44Å; P11-N13 PolarHBondContact O-N 3.01Å; N13-E106 PolarHBondContact ND2-OE1 2.87Å
14C84Confident77.9Confident0 Ų062.9 Ų62.90%035%0.345CS..G310 helixtrans-113.913-179.1-61.30000112.7I10 P11 P12 D16 A17 Y64 V101I10-C14 HydrophobicContact CG2-CB 4.08Å; I10-C14 WeakPolarHBondContact CG2-O 3.45Å; P11-C14 WeakPolarHBondContact O-CA 3.42Å; P11-C14 WeakPolarHBondContact O-CB 3.41Å; P11-C14 PolarHBondContact O-N 3.26Å; P12-C14 PolarHBondContact O-N 2.89Å; C14-D16 PolarHBondContact O-N 2.81Å; C14-A17 VanDerWaalsContact O-CB 3.24Å; C14-A17 WeakPolarHBondContact O-CB 3.26Å; C14-A17 PolarHBondContact O-N 2.88Å; C14-Y64 HydrophobicContact CB-CD1 4.42Å; C14-Y64 HydrophobicContact CB-CE1 4.34Å; C14-V101 HydrophobicContact CB-CB 4.32Å; C14-V101 HydrophobicContact CB-CG1 3.96Å
15H82.8Confident78.9Confident97 Ų9762.4 Ų62.445%0.44934%0.342SS..G310 helixtrans-59.3-30.8179.9-83.7-54.6000113.5P12 A17 I18P12-H15 VanDerWaalsContact CA-CD2 3.41Å; P12-H15 WeakPolarHBondContact CA-CD2 3.32Å; P12-H15 PolarHBondContact O-CD2 2.94Å; P12-H15 PolarHBondContact O-N 3.49Å; H15-A17 PolarHBondContact O-N 3.41Å; H15-A17 VanDerWaalsContact O-N 3.15Å; H15-I18 HydrophobicContact CB-CD1 4.3Å; H15-I18 WeakPolarHBondContact ND1-CD1 3.43Å; H15-I18 WeakPolarHBondContact O-CB 3.46Å; H15-I18 WeakPolarHBondContact O-CD1 3.42Å; H15-I18 WeakPolarHBondContact O-CG1 3.38Å; H15-I18 PolarHBondContact O-N 3.19Å
16D82.9Confident79.8Confident128 Ų12866.3 Ų66.368%0.68436%0.359SS*.G310 helixtrans-66.2-14.2176.2-58.6-33.9000113.1C14 P19 Y64C14-D16 PolarHBondContact O-N 2.81Å; D16-P19 WeakPolarHBondContact O-CD 3.29Å; D16-Y64 WeakPolarHBondContact CB-OH 3.33Å
17A83.3Confident80.4Confident0 Ų065.2 Ų65.20%035%0.349CS..G310 helixtrans-80.9-13.517400000113.2C14 H15 P19 L20 L21 L50 Y64 V101C14-A17 VanDerWaalsContact O-CB 3.24Å; C14-A17 WeakPolarHBondContact O-CB 3.26Å; C14-A17 PolarHBondContact O-N 2.88Å; H15-A17 PolarHBondContact O-N 3.41Å; H15-A17 VanDerWaalsContact O-N 3.15Å; A17-P19 VanDerWaalsContact C-CD 3.44Å; A17-P19 VanDerWaalsContact C-N 3.34Å; A17-L20 WeakPolarHBondContact O-CA 3.42Å; A17-L20 VanDerWaalsContact O-CB 3.29Å; A17-L20 WeakPolarHBondContact O-CB 3.47Å; A17-L20 PolarHBondContact O-N 3.42Å; A17-L21 PolarHBondContact O-N 2.67Å; A17-L50 HydrophobicContact CB-CD1 4.4Å; A17-Y64 HydrophobicContact CB-CD1 3.8Å; A17-Y64 HydrophobicContact CB-CD2 3.72Å; A17-Y64 HydrophobicContact CB-CE1 4.14Å; A17-Y64 HydrophobicContact CB-CE2 4.06Å; A17-Y64 HydrophobicContact CB-CG 3.59Å; A17-V101 HydrophobicContact CB-CG1 3.83Å
18I81.1Confident81Confident83 Ų8363.9 Ų63.943%0.42634%0.34SS..G310 helixtrans-50.9-45.7-177.6-71.2167.2000112.7I10 H15 L20 L21I10-I18 HydrophobicContact CD1-CD1 4.44Å; I10-I18 HydrophobicContact CD1-CG1 3.63Å; I10-I18 HydrophobicContact CG2-CG1 4.39Å; H15-I18 HydrophobicContact CB-CD1 4.3Å; H15-I18 WeakPolarHBondContact ND1-CD1 3.43Å; H15-I18 WeakPolarHBondContact O-CB 3.46Å; H15-I18 WeakPolarHBondContact O-CD1 3.42Å; H15-I18 WeakPolarHBondContact O-CG1 3.38Å; H15-I18 PolarHBondContact O-N 3.19Å; I18-L20 PolarHBondContact O-N 2.94Å; I18-L21 PolarHBondContact O-N 2.83Å
19P80.8Confident81.1Confident97 Ų9762.1 Ų62.163%0.6333%0.333SS*.G310 helixtrans-62.1-26.4178.7-22.935.3000113.8D16 A17 L21D16-P19 WeakPolarHBondContact O-CD 3.29Å; A17-P19 VanDerWaalsContact C-CD 3.44Å; A17-P19 VanDerWaalsContact C-N 3.34Å; P19-L21 VanDerWaalsContact C-N 3.3Å
20L81.2Confident81.4Confident26 Ų2664.8 Ų64.814%0.13634%0.342CS..G310 helixtrans-75.4-21177.8-54.1177.5000112.2A17 I18 N22 F28 L50 K52 Y64A17-L20 WeakPolarHBondContact O-CA 3.42Å; A17-L20 VanDerWaalsContact O-CB 3.29Å; A17-L20 WeakPolarHBondContact O-CB 3.47Å; A17-L20 PolarHBondContact O-N 3.42Å; I18-L20 PolarHBondContact O-N 2.94Å; L20-N22 PolarHBondContact O-N 3.27Å; L20-F28 WeakPolarHBondContact O-CB 3.42Å; L20-F28 WeakPolarHBondContact O-CD2 3.34Å; L20-F28 WeakPolarHBondContact O-CG 3.44Å; L20-L50 HydrophobicContact CB-CD1 4.42Å; L20-L50 HydrophobicContact CD1-CB 4.45Å; L20-K52 HydrophobicContact CD2-CB 4.38Å; L20-K52 HydrophobicContact CD2-CG 4.27Å; L20-Y64 HydrophobicContact CD1-CD2 3.94Å
21L82Confident81.6Confident25 Ų2563.1 Ų63.113%0.13133%0.333CS..G310 helixtrans-88.831.1-178.6-55.4168.8000112.2I8 I10 A17 I18 P19 F28 L50 L66 V101I8-L21 HydrophobicContact CG2-CD1 4.25Å; I10-L21 HydrophobicContact CD1-CD1 3.43Å; I10-L21 VanDerWaalsContact CD1-CD1 3.43Å; I10-L21 HydrophobicContact CG1-CD1 4.01Å; A17-L21 PolarHBondContact O-N 2.67Å; I18-L21 PolarHBondContact O-N 2.83Å; P19-L21 VanDerWaalsContact C-N 3.3Å; L21-F28 HydrophobicContact CB-CE2 4.49Å; L21-F28 HydrophobicContact CB-CZ 4.19Å; L21-F28 HydrophobicContact CD2-CD2 4.39Å; L21-F28 HydrophobicContact CD2-CE2 3.55Å; L21-F28 HydrophobicContact CD2-CZ 3.83Å; L21-L50 HydrophobicContact CD2-CD1 3.71Å; L21-L50 HydrophobicContact CD2-CD2 3.87Å; L21-L50 HydrophobicContact CD2-CG 4.49Å; L21-L50 HydrophobicContact CG-CD1 4.49Å; L21-L66 HydrophobicContact CD2-CD1 4.28Å; L21-V101 HydrophobicContact CD1-CG2 3.8Å; L21-V101 HydrophobicContact CD2-CG2 4.14Å
22N78.8Confident81.8Confident67 Ų6762.3 Ų62.336%0.35833%0.326SS..  trans-87.9117.7177.2-171.1-2.4000110.8L20 E24 N25 F28L20-N22 PolarHBondContact O-N 3.27Å; N22-E24 PolarHBondContact ND2-OE2 3.49Å; N22-E24 PolarHBondContact O-N 3.48Å; N22-E24 WeakPolarHBondContact OD1-CB 3.48Å; N22-E24 WeakPolarHBondContact OD1-CG 3.41Å; N22-E24 PolarHBondContact OD1-N 3.25Å; N22-N25 HydrophobicContact CB-CB 4.4Å; N22-N25 VanDerWaalsContact O-CB 3.26Å; N22-N25 WeakPolarHBondContact O-CB 3.31Å; N22-N25 PolarHBondContact O-N 3.33Å; N22-F28 VanDerWaalsContact O-CD1 3.3Å; N22-F28 WeakPolarHBondContact O-CD1 3.37Å
23L76.3Confident82.2Confident81 Ų8163.6 Ų63.642%0.42432%0.321SS..THydrogen-bonded Turntrans-65.2-19.1174.5-72.7171.8000113.7F28 S29 F32 I370L23-F28 HydrophobicContact CD2-CD1 4.08Å; L23-F28 HydrophobicContact CD2-CE1 3.75Å; L23-F28 HydrophobicContact CG-CE1 4.15Å; L23-S29 WeakPolarHBondContact O-CB 3.3Å; L23-F32 HydrophobicContact CD2-CD1 3.83Å; L23-F32 HydrophobicContact CD2-CE1 4.31Å; L23-F32 HydrophobicContact CD2-CG 4.26Å; L23-I370 HydrophobicContact CD1-CD1 4.14Å
24E78.2Confident82.4Confident168 Ų16866.7 Ų66.779%0.78533%0.326SS*.THydrogen-bonded Turntrans-71.4-23.4171.7-58174.2160.700111.7N22 Q26N22-E24 PolarHBondContact ND2-OE2 3.49Å; N22-E24 PolarHBondContact O-N 3.48Å; N22-E24 WeakPolarHBondContact OD1-CB 3.48Å; N22-E24 WeakPolarHBondContact OD1-CG 3.41Å; N22-E24 PolarHBondContact OD1-N 3.25Å; E24-Q26 PolarHBondContact O-N 2.88Å
25N79.9Confident82.5Confident30 Ų3066.7 Ų66.716%0.1633%0.326CS..SBendtrans-71.8122.3173.1-174.6-18.5000109.7N22 S27 F28 S29 L53N22-N25 HydrophobicContact CB-CB 4.4Å; N22-N25 VanDerWaalsContact O-CB 3.26Å; N22-N25 WeakPolarHBondContact O-CB 3.31Å; N22-N25 PolarHBondContact O-N 3.33Å; N25-S27 VanDerWaalsContact C-N 3.27Å; N25-S27 PolarHBondContact O-N 3.15Å; N25-S27 PolarHBondContact OD1-N 2.84Å; N25-F28 HydrophobicContact CB-CB 4.28Å; N25-F28 PolarHBondContact O-N 3.39Å; N25-S29 WeakPolarHBondContact O-CB 3.45Å; N25-S29 PolarHBondContact O-N 3.01Å; N25-S29 PolarHBondContact O-OG 2.85Å; N25-L53 WeakPolarHBondContact ND2-CD1 3.36Å
26Q82.3Confident82.5Confident131 Ų13162.9 Ų62.961%0.61231%0.309SS*.Hα-helixtrans-61.3-35.2179.7-70.8-160.21300113E24 S29 K30E24-Q26 PolarHBondContact O-N 2.88Å; Q26-S29 WeakPolarHBondContact CA-OG 3.23Å; Q26-S29 PolarHBondContact O-OG 2.89Å; Q26-S29 VanDerWaalsContact O-OG 3.11Å; Q26-K30 WeakPolarHBondContact O-CB 3.45Å; Q26-K30 WeakPolarHBondContact O-CD 3.38Å; Q26-K30 WeakPolarHBondContact O-CG 3.39Å; Q26-K30 PolarHBondContact O-N 3.03Å
27S82.3Confident82.6Confident13 Ų1363.3 Ų63.39%0.09131%0.305CS..Hα-helixtrans-68.5-48.6-178.6-53.90000110.5N25 L31 E59N25-S27 VanDerWaalsContact C-N 3.27Å; N25-S27 PolarHBondContact O-N 3.15Å; N25-S27 PolarHBondContact OD1-N 2.84Å; S27-L31 PolarHBondContact O-N 3.04Å; S27-E59 VanDerWaalsContact CB-OE1 3.25Å; S27-E59 WeakPolarHBondContact CB-OE1 3.41Å; S27-E59 PolarHBondContact OG-OE1 2.91Å
28F83.6Confident82.6Confident1 Ų167.7 Ų67.70%0.00432%0.321CS..Hα-helixtrans-65-46175.9178-106.8000112.1L20 L21 N22 L23 N25 K30 L31 F32 L50 L66L20-F28 WeakPolarHBondContact O-CB 3.42Å; L20-F28 WeakPolarHBondContact O-CD2 3.34Å; L20-F28 WeakPolarHBondContact O-CG 3.44Å; L21-F28 HydrophobicContact CB-CE2 4.49Å; L21-F28 HydrophobicContact CB-CZ 4.19Å; L21-F28 HydrophobicContact CD2-CD2 4.39Å; L21-F28 HydrophobicContact CD2-CE2 3.55Å; L21-F28 HydrophobicContact CD2-CZ 3.83Å; N22-F28 VanDerWaalsContact O-CD1 3.3Å; N22-F28 WeakPolarHBondContact O-CD1 3.37Å; L23-F28 HydrophobicContact CD2-CD1 4.08Å; L23-F28 HydrophobicContact CD2-CE1 3.75Å; L23-F28 HydrophobicContact CG-CE1 4.15Å; N25-F28 HydrophobicContact CB-CB 4.28Å; N25-F28 PolarHBondContact O-N 3.39Å; F28-K30 VanDerWaalsContact C-N 3.32Å; F28-K30 PolarHBondContact O-N 3.08Å; F28-L31 CarbonylContact O-C 3.51Å; F28-L31 WeakPolarHBondContact O-CB 3.39Å; F28-L31 PolarHBondContact O-N 2.98Å; F28-L31 VanDerWaalsContact O-N 3.07Å; F28-F32 HydrophobicContact CE1-CB 4.3Å; F28-F32 HydrophobicContact CE1-CG 4.48Å; F28-F32 HydrophobicContact CZ-CB 4.29Å; F28-F32 HydrophobicContact CZ-CD2 4.09Å; F28-F32 HydrophobicContact CZ-CG 4.4Å; F28-F32 WeakPolarHBondContact O-CB 3.14Å; F28-F32 PolarHBondContact O-N 3Å; F28-L50 HydrophobicContact CD2-CD2 3.74Å; F28-L50 HydrophobicContact CE2-CD2 3.65Å; F28-L66 HydrophobicContact CE2-CD2 4Å; F28-L66 HydrophobicContact CZ-CD2 4.4Å
29S83Confident82.6Confident22 Ų2263.8 Ų63.815%0.15430%0.301CS..Hα-helixtrans-62.9-35.8-179.561.70000113L23 N25 Q26 K33L23-S29 WeakPolarHBondContact O-CB 3.3Å; N25-S29 WeakPolarHBondContact O-CB 3.45Å; N25-S29 PolarHBondContact O-N 3.01Å; N25-S29 PolarHBondContact O-OG 2.85Å; Q26-S29 WeakPolarHBondContact CA-OG 3.23Å; Q26-S29 PolarHBondContact O-OG 2.89Å; Q26-S29 VanDerWaalsContact O-OG 3.11Å; S29-K33 WeakPolarHBondContact O-CB 3.31Å; S29-K33 VanDerWaalsContact O-CG 3.26Å; S29-K33 WeakPolarHBondContact O-CG 3.38Å; S29-K33 PolarHBondContact O-N 2.78Å
30K86Confident82.6Confident117 Ų11764.3 Ų64.351%0.50930%0.295SS..Hα-helixtrans-65.4-43171.3-75.4170.8-170.7167.20111.4Q26 F28 R34Q26-K30 WeakPolarHBondContact O-CB 3.45Å; Q26-K30 WeakPolarHBondContact O-CD 3.38Å; Q26-K30 WeakPolarHBondContact O-CG 3.39Å; Q26-K30 PolarHBondContact O-N 3.03Å; F28-K30 VanDerWaalsContact C-N 3.32Å; F28-K30 PolarHBondContact O-N 3.08Å; K30-R34 WeakPolarHBondContact O-CB 3.34Å; K30-R34 PolarHBondContact O-N 3.49Å; K30-R34 VanDerWaalsContact O-N 3.09Å
31L85.8Confident82.5Confident15 Ų1571.5 Ų71.58%0.07933%0.326CS..Hα-helixtrans-62-51.5176.6-177.368.8000111.3S27 F28 K33 R34 I35 K48 T49 L50S27-L31 PolarHBondContact O-N 3.04Å; F28-L31 CarbonylContact O-C 3.51Å; F28-L31 WeakPolarHBondContact O-CB 3.39Å; F28-L31 PolarHBondContact O-N 2.98Å; F28-L31 VanDerWaalsContact O-N 3.07Å; L31-K33 PolarHBondContact O-N 3.25Å; L31-R34 WeakPolarHBondContact O-CA 3.43Å; L31-R34 WeakPolarHBondContact O-CB 3.42Å; L31-R34 PolarHBondContact O-N 3Å; L31-I35 HydrophobicContact CD2-CD1 4.41Å; L31-I35 HydrophobicContact CG-CD1 4.02Å; L31-I35 WeakPolarHBondContact O-CG1 3.2Å; L31-I35 PolarHBondContact O-N 2.87Å; L31-K48 HydrophobicContact CD1-CB 3.72Å; L31-K48 HydrophobicContact CD1-CG 4Å; L31-K48 HydrophobicContact CD2-CB 4.29Å; L31-K48 HydrophobicContact CG-CB 4.36Å; L31-T49 WeakPolarHBondContact CD2-O 3.37Å; L31-L50 HydrophobicContact CD2-CD2 4.1Å
32F85Confident82.3Confident21 Ų2172.9 Ų72.99%0.09235%0.346CS..Hα-helixtrans-58.4-46.8-178.3-173.5-107.6000111.3A6 L23 F28 R34 I35 L36 L66 F99A6-F32 HydrophobicContact CB-CZ 4.26Å; L23-F32 HydrophobicContact CD2-CD1 3.83Å; L23-F32 HydrophobicContact CD2-CE1 4.31Å; L23-F32 HydrophobicContact CD2-CG 4.26Å; F28-F32 HydrophobicContact CE1-CB 4.3Å; F28-F32 HydrophobicContact CE1-CG 4.48Å; F28-F32 HydrophobicContact CZ-CB 4.29Å; F28-F32 HydrophobicContact CZ-CD2 4.09Å; F28-F32 HydrophobicContact CZ-CG 4.4Å; F28-F32 WeakPolarHBondContact O-CB 3.14Å; F28-F32 PolarHBondContact O-N 3Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 2.73Å; F32-I35 PolarHBondContact O-N 3.16Å; F32-L36 HydrophobicContact CD1-CD1 3.72Å; F32-L36 HydrophobicContact CD1-CG 4.4Å; F32-L36 HydrophobicContact CE1-CD1 3.39Å; F32-L36 HydrophobicContact CE1-CG 4.15Å; F32-L36 HydrophobicContact CZ-CD1 3.97Å; F32-L36 HydrophobicContact CZ-CD2 4.47Å; F32-L36 HydrophobicContact CZ-CG 4.32Å; F32-L36 WeakPolarHBondContact O-CG 3.46Å; F32-L36 PolarHBondContact O-N 3.47Å; F32-L66 HydrophobicContact CD2-CD2 4.17Å; F32-F99 HydrophobicContact CD2-CE1 4.13Å; F32-F99 HydrophobicContact CD2-CZ 4.15Å; F32-F99 HydrophobicContact CE2-CD1 4.16Å; F32-F99 AromaticContact CE2-CD2 3.98Å; F32-F99 HydrophobicContact CE2-CD2 3.98Å; F32-F99 AromaticContact CE2-CE1 3.72Å; F32-F99 HydrophobicContact CE2-CE1 3.72Å; F32-F99 AromaticContact CE2-CE2 3.56Å; F32-F99 HydrophobicContact CE2-CE2 3.56Å; F32-F99 HydrophobicContact CE2-CG 4.26Å; F32-F99 AromaticContact CE2-CZ 3.41Å; F32-F99 HydrophobicContact CE2-CZ 3.41Å; F32-F99 VanDerWaalsContact CE2-CZ 3.41Å; F32-F99 HydrophobicContact CZ-CD2 4.47Å; F32-F99 AromaticContact CZ-CE2 3.82Å; F32-F99 HydrophobicContact CZ-CE2 3.82Å; F32-F99 AromaticContact CZ-CZ 3.91Å; F32-F99 HydrophobicContact CZ-CZ 3.91Å
33K85.5Confident82.3Confident134 Ų13473.4 Ų73.458%0.58335%0.346SS*.Hα-helixtrans-60.4-36.1173.5-75175-178.41760112.9S29 L31 K37S29-K33 WeakPolarHBondContact O-CB 3.31Å; S29-K33 VanDerWaalsContact O-CG 3.26Å; S29-K33 WeakPolarHBondContact O-CG 3.38Å; S29-K33 PolarHBondContact O-N 2.78Å; L31-K33 PolarHBondContact O-N 3.25Å; K33-K37 WeakPolarHBondContact O-CB 3.41Å; K33-K37 WeakPolarHBondContact O-CG 3.41Å; K33-K37 PolarHBondContact O-N 3.33Å
34R85.7Confident82.4Confident144 Ų14473.8 Ų73.854%0.54335%0.353SS..Hα-helixtrans-68.9-38.2177.9-173.7-176.9-69.6144-4.8111.4K30 L31 F32 R38K30-R34 WeakPolarHBondContact O-CB 3.34Å; K30-R34 PolarHBondContact O-N 3.49Å; K30-R34 VanDerWaalsContact O-N 3.09Å; L31-R34 WeakPolarHBondContact O-CA 3.43Å; L31-R34 WeakPolarHBondContact O-CB 3.42Å; L31-R34 PolarHBondContact O-N 3Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 2.73Å; R34-R38 WeakPolarHBondContact O-CG 3.34Å; R34-R38 PolarHBondContact O-N 2.86Å
35I85.8Confident82.6Confident1 Ų169.1 Ų69.11%0.00534%0.337CS..Hα-helixtrans-66.4-50175-64.8165.9000109.9L31 F32 K37 R38 L39 V46 K48 L66 F99L31-I35 HydrophobicContact CD2-CD1 4.41Å; L31-I35 HydrophobicContact CG-CD1 4.02Å; L31-I35 WeakPolarHBondContact O-CG1 3.2Å; L31-I35 PolarHBondContact O-N 2.87Å; F32-I35 PolarHBondContact O-N 3.16Å; I35-K37 PolarHBondContact O-N 3.36Å; I35-R38 WeakPolarHBondContact O-CA 3.33Å; I35-R38 WeakPolarHBondContact O-CB 3.4Å; I35-R38 PolarHBondContact O-N 3.46Å; I35-L39 HydrophobicContact CG2-CD1 3.86Å; I35-L39 HydrophobicContact CG2-CG 4.24Å; I35-L39 WeakPolarHBondContact O-CG 3.44Å; I35-L39 PolarHBondContact O-N 2.85Å; I35-V46 HydrophobicContact CB-CG1 4.24Å; I35-V46 HydrophobicContact CG1-CG1 4.07Å; I35-V46 HydrophobicContact CG2-CB 3.89Å; I35-V46 HydrophobicContact CG2-CG1 3.81Å; I35-K48 HydrophobicContact CD1-CB 4.08Å; I35-K48 HydrophobicContact CD1-CG 4.31Å; I35-K48 HydrophobicContact CG1-CB 4.34Å; I35-K48 HydrophobicContact CG1-CG 4.02Å; I35-L66 HydrophobicContact CD1-CB 4.37Å; I35-L66 HydrophobicContact CD1-CD2 3.8Å; I35-L66 HydrophobicContact CD1-CG 4.33Å; I35-F99 HydrophobicContact CB-CE1 4.42Å; I35-F99 HydrophobicContact CG2-CE1 3.65Å; I35-F99 HydrophobicContact CG2-CZ 4.4Å
36L83.1Confident82.8Confident17 Ų1767.8 Ų67.89%0.08933%0.331CS..Hα-helixtrans-55.2-47.4177.5-73.6175.3000112.6L4 F32 R38 L39 E40 F97 F99L4-L36 HydrophobicContact CD1-CD1 4.22Å; L4-L36 HydrophobicContact CD1-CD2 3.85Å; L4-L36 HydrophobicContact CD2-CD1 4.04Å; L4-L36 HydrophobicContact CD2-CD2 3.58Å; L4-L36 HydrophobicContact CD2-CG 4.49Å; L4-L36 HydrophobicContact CG-CD2 4.36Å; F32-L36 HydrophobicContact CD1-CD1 3.72Å; F32-L36 HydrophobicContact CD1-CG 4.4Å; F32-L36 HydrophobicContact CE1-CD1 3.39Å; F32-L36 HydrophobicContact CE1-CG 4.15Å; F32-L36 HydrophobicContact CZ-CD1 3.97Å; F32-L36 HydrophobicContact CZ-CD2 4.47Å; F32-L36 HydrophobicContact CZ-CG 4.32Å; F32-L36 WeakPolarHBondContact O-CG 3.46Å; F32-L36 PolarHBondContact O-N 3.47Å; L36-R38 PolarHBondContact O-N 3.46Å; L36-R38 VanDerWaalsContact O-N 3.14Å; L36-L39 PolarHBondContact O-N 2.91Å; L36-L39 VanDerWaalsContact O-N 3.13Å; L36-E40 WeakPolarHBondContact O-CB 3.47Å; L36-E40 WeakPolarHBondContact O-CG 3.19Å; L36-E40 PolarHBondContact O-N 3.2Å; L36-F97 HydrophobicContact CD2-CB 4.43Å; L36-F97 HydrophobicContact CD2-CD2 4.2Å; L36-F97 HydrophobicContact CD2-CG 4.16Å; L36-F99 HydrophobicContact CD2-CE2 4.06Å; L36-F99 HydrophobicContact CD2-CZ 3.6Å; L36-F99 HydrophobicContact CG-CZ 4.17Å
37K84.1Confident83Confident136 Ų13666.9 Ų66.959%0.59133%0.326SS*.Hα-helixtrans-60.1-25.8176.6-78.9-175.7178.5-171.30114.3K33 I35 K41K33-K37 WeakPolarHBondContact O-CB 3.41Å; K33-K37 WeakPolarHBondContact O-CG 3.41Å; K33-K37 PolarHBondContact O-N 3.33Å; I35-K37 PolarHBondContact O-N 3.36Å; K37-K41 WeakPolarHBondContact O-CD 3.44Å; K37-K41 WeakPolarHBondContact O-CG 3.38Å; K37-K41 PolarHBondContact O-N 2.86Å
38R84.5Confident83.3Confident92 Ų9269.8 Ų69.835%0.34734%0.337SS..Hα-helixtrans-80.7-42.8176.2-78.6-176.4177.1-157.5-6.1110.8R34 I35 L36 K41 E43 V46R34-R38 WeakPolarHBondContact O-CG 3.34Å; R34-R38 PolarHBondContact O-N 2.86Å; I35-R38 WeakPolarHBondContact O-CA 3.33Å; I35-R38 WeakPolarHBondContact O-CB 3.4Å; I35-R38 PolarHBondContact O-N 3.46Å; L36-R38 PolarHBondContact O-N 3.46Å; L36-R38 VanDerWaalsContact O-N 3.14Å; R38-K41 WeakPolarHBondContact O-CB 3.26Å; R38-K41 PolarHBondContact O-N 2.61Å; R38-E43 HydrophobicContact CB-CB 4.47Å; R38-E43 HydrophobicContact CB-CG 4.35Å; R38-E43 WeakPolarHBondContact CD-OE2 3.45Å; R38-E43 WeakPolarHBondContact CG-OE1 3.36Å; R38-E43 WeakPolarHBondContact O-CB 3.45Å; R38-E43 PolarHBondContact O-N 3.42Å; R38-E43 VanDerWaalsContact O-N 3.14Å; R38-V46 HydrophobicContact CB-CG1 4.28Å; R38-V46 HydrophobicContact CB-CG2 3.71Å
39L81.8Confident83.4Confident1 Ų172.2 Ų72.21%0.00535%0.352CS..Hα-helixtrans-61.2-47.9173.3-59.9171.8000110.6I35 L36 K41 G42 E43 V46 G68 I70 F97 F99I35-L39 HydrophobicContact CG2-CD1 3.86Å; I35-L39 HydrophobicContact CG2-CG 4.24Å; I35-L39 WeakPolarHBondContact O-CG 3.44Å; I35-L39 PolarHBondContact O-N 2.85Å; L36-L39 PolarHBondContact O-N 2.91Å; L36-L39 VanDerWaalsContact O-N 3.13Å; L39-K41 PolarHBondContact O-N 2.73Å; L39-K41 VanDerWaalsContact O-N 3.09Å; L39-G42 PolarHBondContact O-N 2.89Å; L39-E43 VanDerWaalsContact CD2-O 3.3Å; L39-E43 WeakPolarHBondContact CD2-O 3.5Å; L39-V46 HydrophobicContact CD2-CB 3.97Å; L39-V46 HydrophobicContact CD2-CG2 3.48Å; L39-V46 VanDerWaalsContact CD2-CG2 3.48Å; L39-V46 HydrophobicContact CG-CB 4.37Å; L39-V46 HydrophobicContact CG-CG2 3.94Å; L39-G68 WeakPolarHBondContact CD2-O 3.04Å; L39-I70 HydrophobicContact CB-CD1 3.89Å; L39-I70 HydrophobicContact CB-CG1 3.88Å; L39-I70 HydrophobicContact CD2-CD1 4.46Å; L39-I70 HydrophobicContact CD2-CG1 3.92Å; L39-I70 HydrophobicContact CG-CG1 4.39Å; L39-I70 WeakPolarHBondContact O-CD1 3.37Å; L39-F97 HydrophobicContact CB-CD1 3.89Å; L39-F97 HydrophobicContact CB-CE1 3.63Å; L39-F97 HydrophobicContact CD1-CD1 3.8Å; L39-F97 HydrophobicContact CD1-CE1 4.41Å; L39-F97 HydrophobicContact CG-CD1 4.44Å; L39-F99 HydrophobicContact CD1-CE1 4.28Å; L39-F99 HydrophobicContact CD1-CZ 4.09Å
40E79.1Confident83.5Confident108 Ų10871.2 Ų71.251%0.50535%0.345SS..THydrogen-bonded Turntrans-58.2-26.2175.2-73.6168.4-172.300113.9L36 G42 F97L36-E40 WeakPolarHBondContact O-CB 3.47Å; L36-E40 WeakPolarHBondContact O-CG 3.19Å; L36-E40 PolarHBondContact O-N 3.2Å; E40-G42 PolarHBondContact O-N 3.39Å; E40-F97 HydrophobicContact CG-CZ 4.19Å
41K80.9Confident83.3Confident177 Ų17766.5 Ų66.577%0.7733%0.326SS*.THydrogen-bonded Turntrans-78.8-2.8174.6-78.1175.6-179.3-167.70113.7K37 R38 L39K37-K41 WeakPolarHBondContact O-CD 3.44Å; K37-K41 WeakPolarHBondContact O-CG 3.38Å; K37-K41 PolarHBondContact O-N 2.86Å; R38-K41 WeakPolarHBondContact O-CB 3.26Å; R38-K41 PolarHBondContact O-N 2.61Å; L39-K41 PolarHBondContact O-N 2.73Å; L39-K41 VanDerWaalsContact O-N 3.09Å
42G76.3Confident83Confident55 Ų5570.6 Ų70.657%0.56734%0.344SS*.THydrogen-bonded Turntrans96.113.8-17800000114.7L39 E40 T44L39-G42 PolarHBondContact O-N 2.89Å; E40-G42 PolarHBondContact O-N 3.39Å; G42-T44 PolarHBondContact O-N 2.89Å
43E79.1Confident82.3Confident77 Ų7773.5 Ų73.536%0.3636%0.359SS..  trans-70.7121.3166.9-66.9-179.1-147.800108.6R38 L39 V46 I70R38-E43 HydrophobicContact CB-CB 4.47Å; R38-E43 HydrophobicContact CB-CG 4.35Å; R38-E43 WeakPolarHBondContact CD-OE2 3.45Å; R38-E43 WeakPolarHBondContact CG-OE1 3.36Å; R38-E43 WeakPolarHBondContact O-CB 3.45Å; R38-E43 PolarHBondContact O-N 3.42Å; R38-E43 VanDerWaalsContact O-N 3.14Å; L39-E43 VanDerWaalsContact CD2-O 3.3Å; L39-E43 WeakPolarHBondContact CD2-O 3.5Å; E43-V46 HydrophobicContact CB-CG2 3.68Å; E43-V46 WeakPolarHBondContact OE2-CG2 3.43Å; E43-I70 WeakPolarHBondContact O-CD1 3.35Å
44T77.9Confident81.4Confident90 Ų9067.8 Ų67.855%0.55234%0.337SS*.SBendtrans-73.5-28.1-176.853.20000113.2G42 T69 I70G42-T44 PolarHBondContact O-N 2.89Å; T44-T69 WeakPolarHBondContact O-CA 3.49Å; T44-I70 PolarHBondContact O-N 2.92Å; T44-I70 VanDerWaalsContact O-N 3.13Å
45C82.7Confident80.6Confident69 Ų6969.2 Ų69.247%0.46636%0.355SS..EExtended strand (participates in β ladder)trans-145.3128.6179.8-178.10000110.6G68 T69C45-G68 CarbonylContact C-O 3.54Å; C45-G68 WeakPolarHBondContact CA-O 3.3Å; C45-T69 HydrophobicContact CB-CG2 4.3Å
46V85Confident80Confident3 Ų376.1 Ų76.12%0.01839%0.392CS..EExtended strand (participates in β ladder)trans-131.3117.6-179.2-178.80000109.5I35 R38 L39 E43 I67 G68I35-V46 HydrophobicContact CB-CG1 4.24Å; I35-V46 HydrophobicContact CG1-CG1 4.07Å; I35-V46 HydrophobicContact CG2-CB 3.89Å; I35-V46 HydrophobicContact CG2-CG1 3.81Å; R38-V46 HydrophobicContact CB-CG1 4.28Å; R38-V46 HydrophobicContact CB-CG2 3.71Å; L39-V46 HydrophobicContact CD2-CB 3.97Å; L39-V46 HydrophobicContact CD2-CG2 3.48Å; L39-V46 VanDerWaalsContact CD2-CG2 3.48Å; L39-V46 HydrophobicContact CG-CB 4.37Å; L39-V46 HydrophobicContact CG-CG2 3.94Å; E43-V46 HydrophobicContact CB-CG2 3.68Å; E43-V46 WeakPolarHBondContact OE2-CG2 3.43Å; V46-I67 CarbonylContact O-C 3.59Å; V46-I67 WeakPolarHBondContact O-CA 3.5Å; V46-G68 PolarHBondContact N-O 2.92Å; V46-G68 PolarHBondContact O-N 3.4Å
47Q86.7Confident79.2Confident112 Ų11278.1 Ų78.152%0.52342%0.416SS..EExtended strand (participates in β ladder)trans-110.9130.3-179.5-176.6171.9-1.100110.9V65 L66 I67Q47-V65 HydrophobicContact CB-CG1 4.49Å; Q47-V65 HydrophobicContact CG-CG1 3.16Å; Q47-V65 VanDerWaalsContact NE2-CG1 3.35Å; Q47-L66 WeakPolarHBondContact CA-O 3.46Å; Q47-I67 HydrophobicContact CB-CG1 4.35Å; Q47-I67 HydrophobicContact CG-CG1 3.92Å
48K87.2Confident78.6Confident74 Ų7475.3 Ų75.332%0.32241%0.411SS..EExtended strand (participates in β ladder)trans-146.7136.5173.1-68.1-66.8177.7-174.70113.2L31 I35 L66L31-K48 HydrophobicContact CD1-CB 3.72Å; L31-K48 HydrophobicContact CD1-CG 4Å; L31-K48 HydrophobicContact CD2-CB 4.29Å; L31-K48 HydrophobicContact CG-CB 4.36Å; I35-K48 HydrophobicContact CD1-CB 4.08Å; I35-K48 HydrophobicContact CD1-CG 4.31Å; I35-K48 HydrophobicContact CG1-CB 4.34Å; I35-K48 HydrophobicContact CG1-CG 4.02Å; K48-L66 PolarHBondContact N-O 2.87Å; K48-L66 PolarHBondContact O-N 3.22Å
49T86.3Confident78Confident51 Ų5177 Ų7731%0.31342%0.422SS..EExtended strand (participates in β ladder)trans-58.2134.2172.8-47.80000111L31 E61 S62 I104L31-T49 WeakPolarHBondContact CD2-O 3.37Å; T49-E61 HydrophobicContact CG2-CB 4.16Å; T49-S62 VanDerWaalsContact CG2-O 3.27Å; T49-S62 WeakPolarHBondContact CG2-O 3.33Å; T49-I104 HydrophobicContact CG2-CD1 4Å
50L85.4Confident77.7Confident1 Ų181.4 Ų81.41%0.00544%0.443CS..EExtended strand (participates in β ladder)trans-72.1134.8176.5-73.2175.9000109.4A17 L20 L21 F28 L31 S62 Y64 L66 V101A17-L50 HydrophobicContact CB-CD1 4.4Å; L20-L50 HydrophobicContact CB-CD1 4.42Å; L20-L50 HydrophobicContact CD1-CB 4.45Å; L21-L50 HydrophobicContact CD2-CD1 3.71Å; L21-L50 HydrophobicContact CD2-CD2 3.87Å; L21-L50 HydrophobicContact CD2-CG 4.49Å; L21-L50 HydrophobicContact CG-CD1 4.49Å; F28-L50 HydrophobicContact CD2-CD2 3.74Å; F28-L50 HydrophobicContact CE2-CD2 3.65Å; L31-L50 HydrophobicContact CD2-CD2 4.1Å; L50-S62 VanDerWaalsContact CB-OG 3.3Å; L50-S62 WeakPolarHBondContact CB-OG 3.46Å; L50-S62 VanDerWaalsContact O-CB 3.24Å; L50-S62 WeakPolarHBondContact O-CB 3.41Å; L50-S62 PolarHBondContact O-N 2.88Å; L50-S62 PolarHBondContact O-OG 3.04Å; L50-Y64 PolarHBondContact N-O 2.95Å; L50-L66 HydrophobicContact CD2-CB 3.81Å; L50-L66 HydrophobicContact CD2-CD2 4.41Å; L50-L66 HydrophobicContact CG-CB 4.19Å; L50-V101 HydrophobicContact CD1-CG1 4.25Å
51P81.3Confident77.5Confident18 Ų1884.3 Ų84.312%0.11746%0.457CS..EExtended strand (participates in β ladder)trans-73.9135.5173.530.3-34.2000109.7
52K79.5Confident77.4Confident102 Ų10276.2 Ų76.244%0.44342%0.422SS..EExtended strand (participates in β ladder)trans-104.2131.1166.6-172.3178179.2-171.20108.1L20 E60L20-K52 HydrophobicContact CD2-CB 4.38Å; L20-K52 HydrophobicContact CD2-CG 4.27Å; K52-E60 HydrophobicContact CB-CB 4.39Å; K52-E60 PolarHBondContact N-O 3.48Å; K52-E60 PolarHBondContact O-N 3.49Å
53L70.2Confident77.7Confident81 Ų8178.6 Ų78.642%0.42442%0.419SS..EExtended strand (participates in β ladder)trans-81.6119.8167.6-69.8169.5000107.3N25 E59N25-L53 WeakPolarHBondContact ND2-CD1 3.36Å; L53-E59 HydrophobicContact CD2-CG 4.31Å
54S67.9Low78.1Confident15 Ų1576 Ų7611%0.10541%0.406CS..  trans-69.1167170.2790000110.3D56 G57 T58 E60S54-D56 PolarHBondContact O-N 2.97Å; S54-D56 PolarHBondContact OG-N 2.86Å; S54-G57 PolarHBondContact O-N 2.85Å; S54-G57 VanDerWaalsContact O-N 3.08Å; S54-T58 PolarHBondContact N-O 2.9Å; S54-T58 PolarHBondContact OG-N 3.48Å; S54-T58 VanDerWaalsContact OG-N 3.11Å; S54-T58 PolarHBondContact OG-O 3.26Å; S54-T58 PolarHBondContact OG-OG1 3.39Å; S54-E60 WeakPolarHBondContact CB-OE1 3.18Å
55N67.8Low78.6Confident174 Ų17472.1 Ų72.193%0.9338%0.382SS*.THydrogen-bonded Turntrans-61.7-24.1174.8-65.1-23.2000112.5G57N55-G57 VanDerWaalsContact C-N 3.27Å; N55-G57 PolarHBondContact O-N 2.93Å
56D73.8Confident78.9Confident146 Ų14668.9 Ų68.978%0.78136%0.36SS*.THydrogen-bonded Turntrans-86.72.3179.8-60.1-31.5000112.6S54 T58S54-D56 PolarHBondContact O-N 2.97Å; S54-D56 PolarHBondContact OG-N 2.86Å; D56-T58 VanDerWaalsContact C-N 3.28Å; D56-T58 PolarHBondContact O-N 3.24Å
57G65.8Low78.9Confident58 Ų5869.9 Ų69.960%0.59837%0.365SS*.SBendtrans77.49.9-177.300000114.2S54 N55S54-G57 PolarHBondContact O-N 2.85Å; S54-G57 VanDerWaalsContact O-N 3.08Å; N55-G57 VanDerWaalsContact C-N 3.27Å; N55-G57 PolarHBondContact O-N 2.93Å
58T72.3Confident78.9Confident77 Ų7764.5 Ų64.547%0.47234%0.34SS..  trans-85144.8174.756.90000111S54 D56 E60S54-T58 PolarHBondContact N-O 2.9Å; S54-T58 PolarHBondContact OG-N 3.48Å; S54-T58 VanDerWaalsContact OG-N 3.11Å; S54-T58 PolarHBondContact OG-O 3.26Å; S54-T58 PolarHBondContact OG-OG1 3.39Å; D56-T58 VanDerWaalsContact C-N 3.28Å; D56-T58 PolarHBondContact O-N 3.24Å; T58-E60 PolarHBondContact O-N 2.79Å
59E70.3Confident78.6Confident127 Ų12763.1 Ų63.159%0.59334%0.337SS*.EExtended strand (participates in β ladder)trans-79.7110.1175-67.7-175.7169.600109.3S27 L53S27-E59 VanDerWaalsContact CB-OE1 3.25Å; S27-E59 WeakPolarHBondContact CB-OE1 3.41Å; S27-E59 PolarHBondContact OG-OE1 2.91Å; L53-E59 HydrophobicContact CD2-CG 4.31Å
60E75.6Confident77.9Confident95 Ų9562.6 Ų62.644%0.44433%0.332SS..EExtended strand (participates in β ladder)trans-97.6153.3170.6-71.6177.4-176.900110.5K52 S54 T58 S62K52-E60 HydrophobicContact CB-CB 4.39Å; K52-E60 PolarHBondContact N-O 3.48Å; K52-E60 PolarHBondContact O-N 3.49Å; S54-E60 WeakPolarHBondContact CB-OE1 3.18Å; T58-E60 PolarHBondContact O-N 2.79Å; E60-S62 PolarHBondContact O-N 3.35Å
61E75.5Confident76.8Confident169 Ų16966 Ų6679%0.7935%0.348SS*.EExtended strand (participates in β ladder)trans-75.7123171.2-64.7-170.5166.700109.1T49T49-E61 HydrophobicContact CG2-CB 4.16Å
62S78.1Confident75.5Confident6 Ų671.9 Ų71.94%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-78.2161.4174.1750000111.4T49 L50 E60 Y64 I104T49-S62 VanDerWaalsContact CG2-O 3.27Å; T49-S62 WeakPolarHBondContact CG2-O 3.33Å; L50-S62 VanDerWaalsContact CB-OG 3.3Å; L50-S62 WeakPolarHBondContact CB-OG 3.46Å; L50-S62 VanDerWaalsContact O-CB 3.24Å; L50-S62 WeakPolarHBondContact O-CB 3.41Å; L50-S62 PolarHBondContact O-N 2.88Å; L50-S62 PolarHBondContact O-OG 3.04Å; E60-S62 PolarHBondContact O-N 3.35Å; S62-Y64 PolarHBondContact O-N 2.85Å; S62-Y64 PolarHBondContact OG-N 3.01Å; S62-Y64 PolarHBondContact OG-O 2.97Å; S62-I104 WeakPolarHBondContact O-CD1 3.22Å
63E84.3Confident74.1Confident105 Ų10574.8 Ų74.849%0.49139%0.389SS..EExtended strand (participates in β ladder)trans-684.4170.2-65174.6-158.200113.3K103 I104E63-K103 HydrophobicContact CB-CG 4.5Å; E63-K103 CarbonylContact O-C 3.6Å; E63-K103 WeakPolarHBondContact O-CA 3.47Å; E63-K103 WeakPolarHBondContact O-CG 3.39Å; E63-K103 WeakPolarHBondContact OE2-CE 3.34Å; E63-K103 IonicContact OE2-NZ 3.34Å; E63-K103 PolarHBondContact OE2-NZ 3.29Å; E63-I104 WeakPolarHBondContact O-CG1 3.43Å; E63-I104 PolarHBondContact O-N 3.33Å
64Y87.2Confident73.2Confident24 Ų2478 Ų789%0.09441%0.407CS..EExtended strand (participates in β ladder)trans-117.6148.1-174.4-58.8-75.8000112.1C14 D16 A17 L20 L50 S62 V101 R102 K103C14-Y64 HydrophobicContact CB-CD1 4.42Å; C14-Y64 HydrophobicContact CB-CE1 4.34Å; D16-Y64 WeakPolarHBondContact CB-OH 3.33Å; A17-Y64 HydrophobicContact CB-CD1 3.8Å; A17-Y64 HydrophobicContact CB-CD2 3.72Å; A17-Y64 HydrophobicContact CB-CE1 4.14Å; A17-Y64 HydrophobicContact CB-CE2 4.06Å; A17-Y64 HydrophobicContact CB-CG 3.59Å; L20-Y64 HydrophobicContact CD1-CD2 3.94Å; L50-Y64 PolarHBondContact N-O 2.95Å; S62-Y64 PolarHBondContact O-N 2.85Å; S62-Y64 PolarHBondContact OG-N 3.01Å; S62-Y64 PolarHBondContact OG-O 2.97Å; Y64-V101 HydrophobicContact CD1-CG1 4.38Å; Y64-R102 CarbonylContact C-O 3.45Å; Y64-R102 VanDerWaalsContact CA-O 3.31Å; Y64-R102 WeakPolarHBondContact CA-O 3.3Å; Y64-K103 HydrophobicContact CD1-CB 4.41Å; Y64-K103 HydrophobicContact CE1-CB 4.43Å; Y64-K103 HydrophobicContact CE1-CG 4.45Å
65V88.3Confident72.3Confident8 Ų879.8 Ų79.85%0.04842%0.419CS..EExtended strand (participates in β ladder)trans-126.8134.4-179.5178.10000109.7Q47 I67 V101 R102 I104Q47-V65 HydrophobicContact CB-CG1 4.49Å; Q47-V65 HydrophobicContact CG-CG1 3.16Å; Q47-V65 VanDerWaalsContact NE2-CG1 3.35Å; V65-I67 HydrophobicContact CG1-CG1 4.32Å; V65-V101 WeakPolarHBondContact O-CA 3.33Å; V65-R102 PolarHBondContact N-O 3.32Å; V65-R102 PolarHBondContact O-N 3.03Å; V65-I104 HydrophobicContact CG2-CD1 4.22Å; V65-I104 HydrophobicContact CG2-CG1 3.5Å
66L88.6Confident71.5Confident0 Ų081.1 Ų81.10%041%0.411CS..EExtended strand (participates in β ladder)trans-95.3123.1170.9-168.668.6000109.6I8 L21 F28 F32 I35 Q47 K48 L50 F99 V101I8-L66 HydrophobicContact CG2-CD1 4.34Å; L21-L66 HydrophobicContact CD2-CD1 4.28Å; F28-L66 HydrophobicContact CE2-CD2 4Å; F28-L66 HydrophobicContact CZ-CD2 4.4Å; F32-L66 HydrophobicContact CD2-CD2 4.17Å; I35-L66 HydrophobicContact CD1-CB 4.37Å; I35-L66 HydrophobicContact CD1-CD2 3.8Å; I35-L66 HydrophobicContact CD1-CG 4.33Å; Q47-L66 WeakPolarHBondContact CA-O 3.46Å; K48-L66 PolarHBondContact N-O 2.87Å; K48-L66 PolarHBondContact O-N 3.22Å; L50-L66 HydrophobicContact CD2-CB 3.81Å; L50-L66 HydrophobicContact CD2-CD2 4.41Å; L50-L66 HydrophobicContact CG-CB 4.19Å; L66-F99 HydrophobicContact CD1-CB 4.01Å; L66-F99 HydrophobicContact CD1-CD1 4.25Å; L66-F99 HydrophobicContact CD2-CD1 3.89Å; L66-F99 HydrophobicContact CD2-CE1 4.34Å; L66-F99 HydrophobicContact CG-CD1 3.94Å; L66-V101 HydrophobicContact CD1-CG2 3.89Å
67I85.7Confident70.5Confident24 Ų2478.9 Ų78.912%0.12340%0.398CS..EExtended strand (participates in β ladder)trans-109118.8175.3-56.5169.7000107.1V46 Q47 V65 T69 F99 T100 R102V46-I67 CarbonylContact O-C 3.59Å; V46-I67 WeakPolarHBondContact O-CA 3.5Å; Q47-I67 HydrophobicContact CB-CG1 4.35Å; Q47-I67 HydrophobicContact CG-CG1 3.92Å; V65-I67 HydrophobicContact CG1-CG1 4.32Å; I67-T69 HydrophobicContact CG2-CG2 4.25Å; I67-F99 CarbonylContact O-C 3.57Å; I67-F99 WeakPolarHBondContact O-CA 3.5Å; I67-T100 PolarHBondContact N-O 3.49Å; I67-T100 PolarHBondContact O-N 3.47Å; I67-R102 HydrophobicContact CD1-CB 4.49Å; I67-R102 VanDerWaalsContact CD1-CD 3.46Å; I67-R102 HydrophobicContact CD1-CG 3.9Å
68G85.7Confident70.1Confident0 Ų079.1 Ų79.10%039%0.386CS..EExtended strand (participates in β ladder)trans-101.1133.116900000110.3L39 C45 V46 R98L39-G68 WeakPolarHBondContact CD2-O 3.04Å; C45-G68 CarbonylContact C-O 3.54Å; C45-G68 WeakPolarHBondContact CA-O 3.3Å; V46-G68 PolarHBondContact N-O 2.92Å; V46-G68 PolarHBondContact O-N 3.4Å; G68-R98 CarbonylContact C-O 3.55Å; G68-R98 WeakPolarHBondContact CA-O 3.34Å
69T80.3Confident69.4Low44 Ų4481.8 Ų81.827%0.2739%0.391SS..EExtended strand (participates in β ladder)trans-125.7141.5172.7580000110.3T44 C45 I67 R98T44-T69 WeakPolarHBondContact O-CA 3.49Å; C45-T69 HydrophobicContact CB-CG2 4.3Å; I67-T69 HydrophobicContact CG2-CG2 4.25Å; T69-R98 PolarHBondContact N-O 3.27Å; T69-R98 PolarHBondContact O-N 2.87Å; T69-R98 VanDerWaalsContact O-N 3.1Å; T69-R98 PolarHBondContact OG1-O 3.03Å
70I73Confident69Low40 Ų4076.9 Ų76.921%0.20537%0.372CS..EExtended strand (participates in β ladder)trans-86.8110.9165.3-50.2179.8000105.8L39 E43 T44 E72 F97L39-I70 HydrophobicContact CB-CD1 3.89Å; L39-I70 HydrophobicContact CB-CG1 3.88Å; L39-I70 HydrophobicContact CD2-CD1 4.46Å; L39-I70 HydrophobicContact CD2-CG1 3.92Å; L39-I70 HydrophobicContact CG-CG1 4.39Å; L39-I70 WeakPolarHBondContact O-CD1 3.37Å; E43-I70 WeakPolarHBondContact O-CD1 3.35Å; T44-I70 PolarHBondContact O-N 2.92Å; T44-I70 VanDerWaalsContact O-N 3.13Å; I70-E72 HydrophobicContact CG2-CG 4.41Å; I70-E72 PolarHBondContact O-N 2.68Å; I70-F97 HydrophobicContact CD1-CE1 4.19Å; I70-F97 HydrophobicContact CG1-CD1 4.06Å; I70-F97 HydrophobicContact CG1-CE1 3.91Å
71E62.1Low68.2Low72 Ų7281 Ų8134%0.33638%0.384SS..  trans-80.298.5172.4-164.1174.1-17800106.8S75E71-S75 WeakPolarHBondContact OE1-CB 3.42Å; E71-S75 PolarHBondContact OE1-OG 3.37Å
72E53.8Low67.7Low142 Ų14275.6 Ų75.666%0.66436%0.36SS*.  trans-73.5-34.7-161.3-137.8164-158.700113.2I70I70-E72 HydrophobicContact CG2-CG 4.41Å; I70-E72 PolarHBondContact O-N 2.68Å
73E50.7Low67.1Low164 Ų16481.3 Ų81.377%0.76639%0.389SS*.SBendtrans-142.9-15.7-165.5-69.8-169.1149.200120.5
74N50.5Low66.1Low149 Ų14977.4 Ų77.480%0.79737%0.372SS*.SBendtrans-115.7-7.4-166-73.7-32.8000118.4
75S48.5Very low65.3Low52 Ų5282.9 Ų82.936%0.36441%0.413SS..SBendtrans-139.4109.9-170.7-37.50000111.2E71E71-S75 WeakPolarHBondContact OE1-CB 3.42Å; E71-S75 PolarHBondContact OE1-OG 3.37Å
76R51.1Low64.7Low201 Ų20186.8 Ų86.876%0.75844%0.441SS*.  trans6870160.3-46.8172.7-174.6-178.53114.4L78R76-L78 PolarHBondContact O-N 2.95Å
77I53.8Low63.8Low99 Ų9989.1 Ų89.151%0.50847%0.465SS..  trans-57.8108.9155.4-58.2173.4000107.2F79 K93I77-F79 HydrophobicContact CB-CE2 4.02Å; I77-F79 HydrophobicContact CB-CZ 4.34Å; I77-F79 HydrophobicContact CG2-CD1 4.45Å; I77-F79 HydrophobicContact CG2-CD2 4.1Å; I77-F79 HydrophobicContact CG2-CE1 3.98Å; I77-F79 HydrophobicContact CG2-CE2 3.57Å; I77-F79 HydrophobicContact CG2-CZ 3.52Å; I77-F79 PolarHBondContact O-N 3.39Å; I77-K93 HydrophobicContact CG2-CD 4.08Å; I77-K93 HydrophobicContact CG2-CG 3.79Å
78L56.3Low63.1Low64 Ų6490.7 Ų90.734%0.33548%0.478SS..EExtended strand (participates in β ladder)trans-89109.2178.5-79150000108.5L5 R76 L94 F96L5-L78 HydrophobicContact CD2-CB 3.3Å; L5-L78 HydrophobicContact CD2-CD1 3.3Å; L5-L78 HydrophobicContact CD2-CD2 4.05Å; L5-L78 HydrophobicContact CD2-CG 3.67Å; L5-L78 HydrophobicContact CG-CD1 4.31Å; R76-L78 PolarHBondContact O-N 2.95Å; L78-L94 PolarHBondContact O-N 2.95Å; L78-F96 HydrophobicContact CD1-CD2 3.37Å; L78-F96 HydrophobicContact CD1-CE2 3.55Å; L78-F96 HydrophobicContact CD1-CG 4.06Å; L78-F96 HydrophobicContact CD1-CZ 4.37Å
79F58.8Low62.4Low133 Ų13394.7 Ų94.758%0.58350%0.5SS*.EExtended strand (participates in β ladder)trans-86114.7172.8-67.5-76.7000108.8I77 I91 Y92 K93I77-F79 HydrophobicContact CB-CE2 4.02Å; I77-F79 HydrophobicContact CB-CZ 4.34Å; I77-F79 HydrophobicContact CG2-CD1 4.45Å; I77-F79 HydrophobicContact CG2-CD2 4.1Å; I77-F79 HydrophobicContact CG2-CE1 3.98Å; I77-F79 HydrophobicContact CG2-CE2 3.57Å; I77-F79 HydrophobicContact CG2-CZ 3.52Å; I77-F79 PolarHBondContact O-N 3.39Å; F79-I91 HydrophobicContact CB-CG2 3.83Å; F79-I91 HydrophobicContact CD1-CG2 3.55Å; F79-I91 HydrophobicContact CE1-CG2 4.5Å; F79-I91 HydrophobicContact CG-CG2 4.05Å; F79-Y92 WeakPolarHBondContact CA-O 3.43Å; F79-K93 HydrophobicContact CE1-CB 4.38Å
80A60.6Low61.9Low24 Ų2496.5 Ų96.520%0.19851%0.505CS..EExtended strand (participates in β ladder)trans-94.9122.9172.100000109.1L82 Y92 L94A80-L82 HydrophobicContact CB-CD1 4.43Å; A80-L82 HydrophobicContact CB-CD2 4.43Å; A80-L82 HydrophobicContact CB-CG 4.08Å; A80-L82 PolarHBondContact O-N 3.14Å; A80-Y92 PolarHBondContact N-O 3.37Å; A80-Y92 PolarHBondContact O-N 3.28Å; A80-L94 HydrophobicContact CB-CD1 3.68Å; A80-L94 HydrophobicContact CB-CG 4.19Å
81R59.5Low61.6Low181 Ų181100.5 Ų100.568%0.68353%0.526SS*.EExtended strand (participates in β ladder)trans-84.199.1167.7-166.4176.880.9179.9-0.8108.1N89 E90R81-N89 HydrophobicContact CG-CB 3.63Å; R81-N89 PolarHBondContact NE-OD1 3.27Å; R81-E90 WeakPolarHBondContact CA-O 3.46Å
82L64.2Low61.7Low55 Ų55101.3 Ų101.329%0.28853%0.526SS..EExtended strand (participates in β ladder)trans-104.5144.4177.9-60.8173.8000109A3 A80 N84 E90 Y92A3-L82 HydrophobicContact CB-CD1 4.14Å; A80-L82 HydrophobicContact CB-CD1 4.43Å; A80-L82 HydrophobicContact CB-CD2 4.43Å; A80-L82 HydrophobicContact CB-CG 4.08Å; A80-L82 PolarHBondContact O-N 3.14Å; L82-N84 PolarHBondContact O-N 3.05Å; L82-E90 PolarHBondContact N-O 3.33Å; L82-E90 PolarHBondContact O-N 3.24Å; L82-Y92 HydrophobicContact CB-CD2 3.8Å; L82-Y92 HydrophobicContact CB-CE2 3.86Å; L82-Y92 HydrophobicContact CD1-CD2 3.89Å; L82-Y92 HydrophobicContact CD1-CE2 4.38Å; L82-Y92 HydrophobicContact CD1-CG 4.29Å; L82-Y92 HydrophobicContact CG-CD2 4.08Å
83L66.7Low62.1Low127 Ų127101.6 Ų101.667%0.66553%0.525SS*.EExtended strand (participates in β ladder)trans-68.7128.6167.2-8484.2000108.1
84N63.8Low62.7Low22 Ų2294.9 Ų94.912%0.11849%0.494CS..  trans-78.9175.7170.275-1.6000110.6L82 S86 G87 S88 E90L82-N84 PolarHBondContact O-N 3.05Å; N84-S86 PolarHBondContact ND2-OG 3.08Å; N84-S86 PolarHBondContact O-N 2.88Å; N84-S86 VanDerWaalsContact O-N 3.15Å; N84-S86 WeakPolarHBondContact OD1-CA 3.34Å; N84-S86 PolarHBondContact OD1-N 2.99Å; N84-S86 PolarHBondContact OD1-OG 3.05Å; N84-G87 PolarHBondContact O-N 3.34Å; N84-G87 PolarHBondContact OD1-N 3.19Å; N84-S88 VanDerWaalsContact CG-O 3.22Å; N84-S88 VanDerWaalsContact CG-OG 3.22Å; N84-S88 PolarHBondContact N-O 3.46Å; N84-S88 PolarHBondContact ND2-OG 2.93Å; N84-S88 PolarHBondContact OD1-N 3.4Å; N84-S88 PolarHBondContact OD1-O 3.4Å; N84-S88 PolarHBondContact OD1-OG 2.95Å; N84-E90 HydrophobicContact CB-CB 4.39Å; N84-E90 VanDerWaalsContact CB-CD 3.4Å; N84-E90 HydrophobicContact CB-CG 3.94Å; N84-E90 WeakPolarHBondContact CB-OE2 3.49Å; N84-E90 VanDerWaalsContact ND2-CD 3.32Å; N84-E90 PolarHBondContact ND2-OE1 2.87Å
85S69.6Low63.3Low139 Ų13991.3 Ų91.397%0.97248%0.48SS*.THydrogen-bonded Turntrans-61.9-19.6178.153.50000114
86S75.1Confident64.3Low91 Ų9190.6 Ų90.664%0.63647%0.47SS*.THydrogen-bonded Turntrans-91.74.4175.962.90000113.8N84 S88N84-S86 PolarHBondContact ND2-OG 3.08Å; N84-S86 PolarHBondContact O-N 2.88Å; N84-S86 VanDerWaalsContact O-N 3.15Å; N84-S86 WeakPolarHBondContact OD1-CA 3.34Å; N84-S86 PolarHBondContact OD1-N 2.99Å; N84-S86 PolarHBondContact OD1-OG 3.05Å; S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 2.94Å; S86-S88 PolarHBondContact OG-OG 3.35Å; S86-S88 VanDerWaalsContact OG-OG 3.08Å
87G70.3Confident65.4Low49 Ų4981.4 Ų81.451%0.50544%0.435SS..SBendtrans77.93.2179.600000115N84N84-G87 PolarHBondContact O-N 3.34Å; N84-G87 PolarHBondContact OD1-N 3.19Å
88S70.3Confident66.6Low56 Ų5681.3 Ų81.339%0.39243%0.429SS..  trans-86.3148.8171.944.40000111.2N84 S86 E90N84-S88 VanDerWaalsContact CG-O 3.22Å; N84-S88 VanDerWaalsContact CG-OG 3.22Å; N84-S88 PolarHBondContact N-O 3.46Å; N84-S88 PolarHBondContact ND2-OG 2.93Å; N84-S88 PolarHBondContact OD1-N 3.4Å; N84-S88 PolarHBondContact OD1-O 3.4Å; N84-S88 PolarHBondContact OD1-OG 2.95Å; S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 2.94Å; S86-S88 PolarHBondContact OG-OG 3.35Å; S86-S88 VanDerWaalsContact OG-OG 3.08Å; S88-E90 PolarHBondContact O-N 2.9Å
89N72.1Confident67.9Low85 Ų8578.3 Ų78.346%0.45541%0.413SS..EExtended strand (participates in β ladder)trans-75.4118.4175.2-73.2-61.9000109.8R81R81-N89 HydrophobicContact CG-CB 3.63Å; R81-N89 PolarHBondContact NE-OD1 3.27Å
90E68.9Low69.2Low81 Ų8173.6 Ų73.638%0.37940%0.395SS..EExtended strand (participates in β ladder)trans-108.2142.6169.9-78.6175.8-174.200109.8R81 L82 N84 S88 Y92R81-E90 WeakPolarHBondContact CA-O 3.46Å; L82-E90 PolarHBondContact N-O 3.33Å; L82-E90 PolarHBondContact O-N 3.24Å; N84-E90 HydrophobicContact CB-CB 4.39Å; N84-E90 VanDerWaalsContact CB-CD 3.4Å; N84-E90 HydrophobicContact CB-CG 3.94Å; N84-E90 WeakPolarHBondContact CB-OE2 3.49Å; N84-E90 VanDerWaalsContact ND2-CD 3.32Å; N84-E90 PolarHBondContact ND2-OE1 2.87Å; S88-E90 PolarHBondContact O-N 2.9Å; E90-Y92 HydrophobicContact CB-CD2 4.25Å; E90-Y92 HydrophobicContact CB-CE2 3.54Å; E90-Y92 PolarHBondContact OE2-OH 3.37Å
91I67.8Low70.4Confident124 Ų12472.4 Ų72.464%0.63639%0.386SS*.EExtended strand (participates in β ladder)trans-95.3115.7178.1-63.3174.7000107.8F79F79-I91 HydrophobicContact CB-CG2 3.83Å; F79-I91 HydrophobicContact CD1-CG2 3.55Å; F79-I91 HydrophobicContact CE1-CG2 4.5Å; F79-I91 HydrophobicContact CG-CG2 4.05Å
92Y63.2Low71.6Confident90 Ų9068.3 Ų68.335%0.35337%0.37SS..EExtended strand (participates in β ladder)trans-100.9127.6176.8-68.6-94.1000110F79 A80 L82 E90 L94F79-Y92 WeakPolarHBondContact CA-O 3.43Å; A80-Y92 PolarHBondContact N-O 3.37Å; A80-Y92 PolarHBondContact O-N 3.28Å; L82-Y92 HydrophobicContact CB-CD2 3.8Å; L82-Y92 HydrophobicContact CB-CE2 3.86Å; L82-Y92 HydrophobicContact CD1-CD2 3.89Å; L82-Y92 HydrophobicContact CD1-CE2 4.38Å; L82-Y92 HydrophobicContact CD1-CG 4.29Å; L82-Y92 HydrophobicContact CG-CD2 4.08Å; E90-Y92 HydrophobicContact CB-CD2 4.25Å; E90-Y92 HydrophobicContact CB-CE2 3.54Å; E90-Y92 PolarHBondContact OE2-OH 3.37Å; Y92-L94 PolarHBondContact O-N 3.46Å
93K61.8Low72.6Confident148 Ų14868.9 Ų68.964%0.64337%0.37SS*.EExtended strand (participates in β ladder)trans-78.1106.1162.3-179.4175.2-179.4-174.90106.9I77 F79I77-K93 HydrophobicContact CG2-CD 4.08Å; I77-K93 HydrophobicContact CG2-CG 3.79Å; F79-K93 HydrophobicContact CE1-CB 4.38Å
94L63.6Low73.1Confident22 Ų2266.8 Ų66.812%0.11536%0.359CS..EExtended strand (participates in β ladder)trans-92.4134.6177-61.5-178.1000109.6A3 L5 L78 A80 Y92 F96A3-L94 HydrophobicContact CB-CD1 3.99Å; A3-L94 HydrophobicContact CB-CD2 4.45Å; A3-L94 WeakPolarHBondContact O-CD1 3.3Å; A3-L94 VanDerWaalsContact O-CD2 3.23Å; A3-L94 WeakPolarHBondContact O-CD2 3.4Å; L5-L94 HydrophobicContact CB-CB 4.42Å; L5-L94 HydrophobicContact CB-CD1 4.37Å; L78-L94 PolarHBondContact O-N 2.95Å; A80-L94 HydrophobicContact CB-CD1 3.68Å; A80-L94 HydrophobicContact CB-CG 4.19Å; Y92-L94 PolarHBondContact O-N 3.46Å; L94-F96 PolarHBondContact O-N 2.91Å
95P63.1Low73.4Confident75 Ų7571.4 Ų71.449%0.48738%0.383SS..PPolyproline II helixtrans-60127.9168.125.7-31.6000108.5F97P95-F97 HydrophobicContact CB-CD2 4.47Å; P95-F97 HydrophobicContact CB-CE2 3.7Å; P95-F97 HydrophobicContact CB-CZ 3.96Å; P95-F97 HydrophobicContact CG-CE2 3.77Å; P95-F97 HydrophobicContact CG-CZ 4.26Å
96F69.6Low72.8Confident36 Ų3668.2 Ų68.216%0.15835%0.353CS..EExtended strand (participates in β ladder)trans-95.8117.9178-176.5-107.5000109.3L5 C7 L78 L94 R98L5-F96 HydrophobicContact CB-CD2 4.4Å; L5-F96 HydrophobicContact CD2-CD2 4.3Å; L5-F96 HydrophobicContact CG-CD2 4.22Å; L5-F96 WeakPolarHBondContact O-CA 3.39Å; L5-F96 WeakPolarHBondContact O-CD2 3.35Å; C7-F96 HydrophobicContact CB-CE2 4.06Å; C7-F96 HydrophobicContact CB-CZ 3.68Å; C7-F96 WeakPolarHBondContact SG-CZ 3.25Å; L78-F96 HydrophobicContact CD1-CD2 3.37Å; L78-F96 HydrophobicContact CD1-CE2 3.55Å; L78-F96 HydrophobicContact CD1-CG 4.06Å; L78-F96 HydrophobicContact CD1-CZ 4.37Å; L94-F96 PolarHBondContact O-N 2.91Å; F96-R98 HydrophobicContact CE1-CB 4.33Å
97F74.7Confident71.2Confident8 Ų868.7 Ų68.74%0.03535%0.354CS..EExtended strand (participates in β ladder)trans-104.2123.3176.7-62.4-82.8000109.4L4 L5 A6 C7 L36 L39 E40 I70 P95 F99L4-F97 HydrophobicContact CD1-CD2 3.68Å; L4-F97 HydrophobicContact CD1-CE2 3.42Å; L4-F97 VanDerWaalsContact CD1-CE2 3.42Å; L4-F97 HydrophobicContact CD1-CZ 4.41Å; L4-F97 HydrophobicContact CD2-CD2 3.71Å; L4-F97 HydrophobicContact CD2-CE2 4.36Å; L4-F97 HydrophobicContact CG-CD2 3.67Å; L4-F97 HydrophobicContact CG-CE2 3.87Å; L5-F97 PolarHBondContact O-N 3.37Å; L5-F97 VanDerWaalsContact O-N 3.11Å; A6-F97 VanDerWaalsContact CA-O 3.22Å; A6-F97 WeakPolarHBondContact CA-O 3.33Å; A6-F97 HydrophobicContact CB-CB 4.49Å; C7-F97 PolarHBondContact N-O 2.88Å; C7-F97 VanDerWaalsContact N-O 3.11Å; L36-F97 HydrophobicContact CD2-CB 4.43Å; L36-F97 HydrophobicContact CD2-CD2 4.2Å; L36-F97 HydrophobicContact CD2-CG 4.16Å; L39-F97 HydrophobicContact CB-CD1 3.89Å; L39-F97 HydrophobicContact CB-CE1 3.63Å; L39-F97 HydrophobicContact CD1-CD1 3.8Å; L39-F97 HydrophobicContact CD1-CE1 4.41Å; L39-F97 HydrophobicContact CG-CD1 4.44Å; E40-F97 HydrophobicContact CG-CZ 4.19Å; I70-F97 HydrophobicContact CD1-CE1 4.19Å; I70-F97 HydrophobicContact CG1-CD1 4.06Å; I70-F97 HydrophobicContact CG1-CE1 3.91Å; P95-F97 HydrophobicContact CB-CD2 4.47Å; P95-F97 HydrophobicContact CB-CE2 3.7Å; P95-F97 HydrophobicContact CB-CZ 3.96Å; P95-F97 HydrophobicContact CG-CE2 3.77Å; P95-F97 HydrophobicContact CG-CZ 4.26Å; F97-F99 HydrophobicContact CB-CD2 4.42Å; F97-F99 HydrophobicContact CB-CE2 3.69Å; F97-F99 HydrophobicContact CB-CZ 4.33Å
98R77.9Confident69.9Low98 Ų9872.3 Ų72.337%0.3736%0.361SS..EExtended strand (participates in β ladder)trans-96.8128.8175.8-175.4167.8-176.2-149.9-3.3109D9 G68 T69 F96D9-R98 IonicContact OD2-CZ 3.77Å; D9-R98 IonicContact OD2-NE 2.82Å; D9-R98 PolarHBondContact OD2-NE 3.37Å; D9-R98 IonicContact OD2-NH2 2.97Å; D9-R98 PolarHBondContact OD2-NH2 3.03Å; G68-R98 CarbonylContact C-O 3.55Å; G68-R98 WeakPolarHBondContact CA-O 3.34Å; T69-R98 PolarHBondContact N-O 3.27Å; T69-R98 PolarHBondContact O-N 2.87Å; T69-R98 VanDerWaalsContact O-N 3.1Å; T69-R98 PolarHBondContact OG1-O 3.03Å; F96-R98 HydrophobicContact CE1-CB 4.33Å
99F84.8Confident68.4Low0 Ų074.9 Ų74.90%037%0.374CS..EExtended strand (participates in β ladder)trans-113.6143.5172.9-65.9-92.6000109.7A6 C7 I8 D9 F32 I35 L36 L39 L66 I67 F97A6-F99 HydrophobicContact CB-CD2 3.92Å; A6-F99 HydrophobicContact CB-CE2 3.7Å; C7-F99 WeakPolarHBondContact O-CB 3.41Å; C7-F99 PolarHBondContact O-N 3.32Å; I8-F99 CarbonylContact C-O 3.58Å; I8-F99 WeakPolarHBondContact CA-O 3.33Å; I8-F99 HydrophobicContact CB-CB 4.32Å; I8-F99 HydrophobicContact CG1-CB 4.02Å; I8-F99 HydrophobicContact CG2-CB 4.19Å; D9-F99 PolarHBondContact N-O 3.17Å; F32-F99 HydrophobicContact CD2-CE1 4.13Å; F32-F99 HydrophobicContact CD2-CZ 4.15Å; F32-F99 HydrophobicContact CE2-CD1 4.16Å; F32-F99 AromaticContact CE2-CD2 3.98Å; F32-F99 HydrophobicContact CE2-CD2 3.98Å; F32-F99 AromaticContact CE2-CE1 3.72Å; F32-F99 HydrophobicContact CE2-CE1 3.72Å; F32-F99 AromaticContact CE2-CE2 3.56Å; F32-F99 HydrophobicContact CE2-CE2 3.56Å; F32-F99 HydrophobicContact CE2-CG 4.26Å; F32-F99 AromaticContact CE2-CZ 3.41Å; F32-F99 HydrophobicContact CE2-CZ 3.41Å; F32-F99 VanDerWaalsContact CE2-CZ 3.41Å; F32-F99 HydrophobicContact CZ-CD2 4.47Å; F32-F99 AromaticContact CZ-CE2 3.82Å; F32-F99 HydrophobicContact CZ-CE2 3.82Å; F32-F99 AromaticContact CZ-CZ 3.91Å; F32-F99 HydrophobicContact CZ-CZ 3.91Å; I35-F99 HydrophobicContact CB-CE1 4.42Å; I35-F99 HydrophobicContact CG2-CE1 3.65Å; I35-F99 HydrophobicContact CG2-CZ 4.4Å; L36-F99 HydrophobicContact CD2-CE2 4.06Å; L36-F99 HydrophobicContact CD2-CZ 3.6Å; L36-F99 HydrophobicContact CG-CZ 4.17Å; L39-F99 HydrophobicContact CD1-CE1 4.28Å; L39-F99 HydrophobicContact CD1-CZ 4.09Å; L66-F99 HydrophobicContact CD1-CB 4.01Å; L66-F99 HydrophobicContact CD1-CD1 4.25Å; L66-F99 HydrophobicContact CD2-CD1 3.89Å; L66-F99 HydrophobicContact CD2-CE1 4.34Å; L66-F99 HydrophobicContact CG-CD1 3.94Å; I67-F99 CarbonylContact O-C 3.57Å; I67-F99 WeakPolarHBondContact O-CA 3.5Å; F97-F99 HydrophobicContact CB-CD2 4.42Å; F97-F99 HydrophobicContact CB-CE2 3.69Å; F97-F99 HydrophobicContact CB-CZ 4.33Å
100T85.1Confident66.8Low34 Ų3478 Ų7821%0.20938%0.384CS..EExtended strand (participates in β ladder)trans-131.5134.7173.9-550000109.2D9 P11 I67 R102D9-T100 WeakPolarHBondContact O-CA 3.46Å; P11-T100 HydrophobicContact CG-CG2 4.35Å; I67-T100 PolarHBondContact N-O 3.49Å; I67-T100 PolarHBondContact O-N 3.47Å; T100-R102 HydrophobicContact CG2-CG 4.3Å
101V87Confident65.1Low0 Ų082.4 Ų82.40%040%0.404CS..EExtended strand (participates in β ladder)trans-93.7134.4173.6-174.50000109.1I8 D9 I10 P11 C14 A17 L21 L50 Y64 V65 L66I8-V101 HydrophobicContact CG2-CG2 3.92Å; D9-V101 PolarHBondContact O-N 2.91Å; D9-V101 VanDerWaalsContact O-N 3.07Å; I10-V101 HydrophobicContact CG1-CG2 4.16Å; P11-V101 WeakPolarHBondContact CD-O 3.36Å; P11-V101 WeakPolarHBondContact CG-O 3.37Å; C14-V101 HydrophobicContact CB-CB 4.32Å; C14-V101 HydrophobicContact CB-CG1 3.96Å; A17-V101 HydrophobicContact CB-CG1 3.83Å; L21-V101 HydrophobicContact CD1-CG2 3.8Å; L21-V101 HydrophobicContact CD2-CG2 4.14Å; L50-V101 HydrophobicContact CD1-CG1 4.25Å; Y64-V101 HydrophobicContact CD1-CG1 4.38Å; V65-V101 WeakPolarHBondContact O-CA 3.33Å; L66-V101 HydrophobicContact CD1-CG2 3.89Å
102R84.1Confident63.3Low94 Ų9482.2 Ų82.236%0.35541%0.405SS..EExtended strand (participates in β ladder)trans-134.6156.2174.6-59.8-169.286.2166.96.7110.9Y64 V65 I67 T100 E106Y64-R102 CarbonylContact C-O 3.45Å; Y64-R102 VanDerWaalsContact CA-O 3.31Å; Y64-R102 WeakPolarHBondContact CA-O 3.3Å; V65-R102 PolarHBondContact N-O 3.32Å; V65-R102 PolarHBondContact O-N 3.03Å; I67-R102 HydrophobicContact CD1-CB 4.49Å; I67-R102 VanDerWaalsContact CD1-CD 3.46Å; I67-R102 HydrophobicContact CD1-CG 3.9Å; T100-R102 HydrophobicContact CG2-CG 4.3Å; R102-E106 IonicContact CZ-OE2 2.74Å; R102-E106 IonicContact NE-OE2 3.15Å; R102-E106 PolarHBondContact NE-OE2 2.94Å; R102-E106 IonicContact NH2-OE2 2.71Å; R102-E106 PolarHBondContact NH2-OE2 3.25Å
103K84.3Confident61.9Low67 Ų6787.3 Ų87.329%0.29143%0.432SS..EExtended strand (participates in β ladder)trans-83.8143.4171.4-167.7168.91791580110.3E63 Y64 D105 E106E63-K103 HydrophobicContact CB-CG 4.5Å; E63-K103 CarbonylContact O-C 3.6Å; E63-K103 WeakPolarHBondContact O-CA 3.47Å; E63-K103 WeakPolarHBondContact O-CG 3.39Å; E63-K103 WeakPolarHBondContact OE2-CE 3.34Å; E63-K103 IonicContact OE2-NZ 3.34Å; E63-K103 PolarHBondContact OE2-NZ 3.29Å; Y64-K103 HydrophobicContact CD1-CB 4.41Å; Y64-K103 HydrophobicContact CE1-CB 4.43Å; Y64-K103 HydrophobicContact CE1-CG 4.45Å; K103-D105 VanDerWaalsContact C-N 3.33Å; K103-D105 PolarHBondContact O-N 3.31Å; K103-E106 WeakPolarHBondContact O-CB 3.35Å; K103-E106 PolarHBondContact O-N 3.11Å
104I78.7Confident60.5Low83 Ų8387.2 Ų87.243%0.42644%0.438SS..THydrogen-bonded Turntrans-62.6-39.6-179-68.1174.7000111.5T49 S62 E63 V65 E106T49-I104 HydrophobicContact CG2-CD1 4Å; S62-I104 WeakPolarHBondContact O-CD1 3.22Å; E63-I104 WeakPolarHBondContact O-CG1 3.43Å; E63-I104 PolarHBondContact O-N 3.33Å; V65-I104 HydrophobicContact CG2-CD1 4.22Å; V65-I104 HydrophobicContact CG2-CG1 3.5Å; I104-E106 PolarHBondContact O-N 2.87Å
105D69.3Low59.2Low119 Ų11991.6 Ų91.664%0.63647%0.465SS*.THydrogen-bonded Turntrans-73.8-3.4-178.6-59-39.9000113.6K103 P107K103-D105 VanDerWaalsContact C-N 3.33Å; K103-D105 PolarHBondContact O-N 3.31Å; D105-P107 VanDerWaalsContact O-CD 3.28Å; D105-P107 WeakPolarHBondContact O-CD 3.3Å
106E56.7Low57.9Low72 Ų7291.4 Ų91.434%0.33647%0.47SS..SBendtrans-75.9111.9170.5-149.6175.9-124.900107N13 R102 K103 I104 I108N13-E106 PolarHBondContact ND2-OE1 2.87Å; R102-E106 IonicContact CZ-OE2 2.74Å; R102-E106 IonicContact NE-OE2 3.15Å; R102-E106 PolarHBondContact NE-OE2 2.94Å; R102-E106 IonicContact NH2-OE2 2.71Å; R102-E106 PolarHBondContact NH2-OE2 3.25Å; K103-E106 WeakPolarHBondContact O-CB 3.35Å; K103-E106 PolarHBondContact O-N 3.11Å; I104-E106 PolarHBondContact O-N 2.87Å; E106-I108 PolarHBondContact O-N 3.15Å
107P41.8Very low56.4Low102 Ų10297.4 Ų97.466%0.66250%0.504SS*.  trans-55133.9-177.621.8-31.7000108D105 T109D105-P107 VanDerWaalsContact O-CD 3.28Å; D105-P107 WeakPolarHBondContact O-CD 3.3Å; P107-T109 PolarHBondContact O-N 3.26Å
108I43.9Very low54.9Low125 Ų125103.6 Ų103.664%0.64154%0.537SS*.  trans-55.398.8165.3-41.4172000103.5E106 K110E106-I108 PolarHBondContact O-N 3.15Å; I108-K110 HydrophobicContact CB-CG 4.12Å; I108-K110 HydrophobicContact CG2-CB 4.45Å; I108-K110 HydrophobicContact CG2-CG 3.58Å; I108-K110 PolarHBondContact O-N 3.18Å
109T37.9Very low53.2Low110 Ų110103.1 Ų103.168%0.67555%0.549SS*.  trans-64.181.7147.4-7.60000102P107 Q111P107-T109 PolarHBondContact O-N 3.26Å; T109-Q111 PolarHBondContact O-N 3.17Å
110K38.3Very low51.5Low149 Ų149108.2 Ų108.265%0.64858%0.575SS**  trans-53.396.4142.2-66.4-174.9179.8-179.1099.6I108 N112I108-K110 HydrophobicContact CB-CG 4.12Å; I108-K110 HydrophobicContact CG2-CB 4.45Å; I108-K110 HydrophobicContact CG2-CG 3.58Å; I108-K110 PolarHBondContact O-N 3.18Å; K110-N112 WeakPolarHBondContact O-CA 3.36Å; K110-N112 PolarHBondContact O-N 3.12Å
111Q32.9Very low50Low175 Ų175112.9 Ų112.982%0.81860%0.595SS**  trans-45.1106.1162-176.6179.59.300102.7T109 Q113T109-Q111 PolarHBondContact O-N 3.17Å; Q111-Q113 PolarHBondContact O-N 3.48Å
112N30.2Very low48.7Very low119 Ų119117.1 Ų117.164%0.63662%0.622SS**  trans-54.1121.5-168.8-77.7-58.1000105.2K110 D114 V115K110-N112 WeakPolarHBondContact O-CA 3.36Å; K110-N112 PolarHBondContact O-N 3.12Å; N112-D114 PolarHBondContact O-N 3.09Å; N112-V115 PolarHBondContact O-N 3.44Å
113Q34.6Very low47.5Very low198 Ų198118 Ų11893%0.92563%0.626SS**SBendtrans-62.22.8163.8-93.5-172.2-14.700111.7Q111Q111-Q113 PolarHBondContact O-N 3.48Å
114D32Very low46.6Very low146 Ų146118.6 Ų118.678%0.78163%0.632SS**  trans-107.769.6163.9-72.5-42.1000111.1N112N112-D114 PolarHBondContact O-N 3.09Å
115V36.3Very low46.2Very low113 Ų113120.6 Ų120.669%0.68564%0.64SS**SBendtrans-126.384.4135.2-176.40000105.9N112N112-V115 PolarHBondContact O-N 3.44Å
116A35.8Very low46.6Very low71 Ų71119.3 Ų119.359%0.58763%0.633SS**THydrogen-bonded Turntrans-2.5121.715700000115N118A116-N118 PolarHBondContact O-N 2.86Å
117N38.4Very low47.6Very low162 Ų162118.4 Ų118.487%0.86663%0.632SS**THydrogen-bonded Turntrans36.550140.4-57.9-26000115.3S119N117-S119 PolarHBondContact O-N 2.85Å
118N42.6Very low49.5Very low138 Ų138118.9 Ų118.974%0.73862%0.624SS**  trans-69.488.2146.6-72.2-18000102.7A116 I120A116-N118 PolarHBondContact O-N 2.86Å; N118-I120 PolarHBondContact O-N 3.35Å
119S42.4Very low51.5Low88 Ų88118.4 Ų118.462%0.61562%0.617SS**  trans-31.7100.7156.8168.90000105.3N117 E121N117-S119 PolarHBondContact O-N 2.85Å; S119-E121 VanDerWaalsContact C-N 3.29Å; S119-E121 PolarHBondContact O-N 2.98Å
120I49.5Very low53.5Low108 Ų108120.2 Ų120.255%0.55461%0.612SS**  trans-45.8113.1161.4-71166.8000101.5N118 L124 H125N118-I120 PolarHBondContact O-N 3.35Å; I120-L124 HydrophobicContact CG2-CB 3.94Å; I120-H125 HydrophobicContact CG2-CB 4.31Å
121E53.1Low55.8Low131 Ų131117.8 Ų117.861%0.61261%0.605SS**  trans-47.3125.1-171.3-74.4-155.716700106.1S119 Y123 L124S119-E121 VanDerWaalsContact C-N 3.29Å; S119-E121 PolarHBondContact O-N 2.98Å; E121-Y123 CarbonylContact O-C 3.6Å; E121-Y123 PolarHBondContact O-N 3.14Å; E121-L124 PolarHBondContact O-N 3.02Å
122P60.2Low58.3Low89 Ų89113.7 Ų113.758%0.57859%0.589SS**Hα-helixtrans-51.1-28.2-170.112.6-27.2000111.8H125 D126P122-H125 PolarHBondContact O-N 2.79Å; P122-D126 WeakPolarHBondContact O-CB 3.49Å; P122-D126 PolarHBondContact O-N 3.01Å
123Y57.7Low61Low112 Ų112112.3 Ų112.344%0.43958%0.582SS.*Hα-helixtrans-56.3-42.9169.8-177.4-98.1000115.5E121 D126 T127E121-Y123 CarbonylContact O-C 3.6Å; E121-Y123 PolarHBondContact O-N 3.14Å; Y123-D126 PolarHBondContact O-N 3.09Å; Y123-T127 WeakPolarHBondContact CE1-OG1 3.34Å; Y123-T127 WeakPolarHBondContact O-CB 3.45Å; Y123-T127 PolarHBondContact O-N 3.05Å; Y123-T127 PolarHBondContact O-OG1 3.35Å
124L67.2Low63.6Low80 Ų80109.9 Ų109.942%0.41957%0.568SS.*Hα-helixtrans-65.7-42.8177.7-75.1174.9000110.7I120 E121 D126 T127 F128I120-L124 HydrophobicContact CG2-CB 3.94Å; E121-L124 PolarHBondContact O-N 3.02Å; L124-D126 VanDerWaalsContact C-N 3.34Å; L124-D126 PolarHBondContact O-N 3.43Å; L124-T127 WeakPolarHBondContact O-CB 3.26Å; L124-T127 PolarHBondContact O-N 3.29Å; L124-T127 VanDerWaalsContact O-N 3.14Å; L124-F128 HydrophobicContact CB-CE2 4.32Å; L124-F128 WeakPolarHBondContact O-CD2 3.44Å; L124-F128 PolarHBondContact O-N 2.91Å
125H69.7Low66.1Low126 Ų126108.3 Ų108.358%0.58356%0.558SS**Hα-helixtrans-66.8-39.5179.3-145.75.8000111.5I120 P122 T127 F128 K129I120-H125 HydrophobicContact CG2-CB 4.31Å; P122-H125 PolarHBondContact O-N 2.79Å; H125-T127 VanDerWaalsContact C-N 3.31Å; H125-T127 PolarHBondContact O-N 3.13Å; H125-F128 PolarHBondContact O-N 3.34Å; H125-K129 VanDerWaalsContact O-CB 3.28Å; H125-K129 WeakPolarHBondContact O-CB 3.28Å; H125-K129 PolarHBondContact O-N 3.11Å
126D77.9Confident68.6Low92 Ų92108.8 Ų108.849%0.49255%0.552SS.*Hα-helixtrans-63.4-36.1171.5-76.9-17.3000112.4P122 Y123 L124 R130P122-D126 WeakPolarHBondContact O-CB 3.49Å; P122-D126 PolarHBondContact O-N 3.01Å; Y123-D126 PolarHBondContact O-N 3.09Å; L124-D126 VanDerWaalsContact C-N 3.34Å; L124-D126 PolarHBondContact O-N 3.43Å; D126-R130 WeakPolarHBondContact O-CB 3.49Å; D126-R130 PolarHBondContact O-N 2.99Å
127T76.7Confident71.1Confident52 Ų52109.3 Ų109.332%0.31955%0.545SS..Hα-helixtrans-68.2-47.8178.4-60.30000111Y123 L124 H125 K129 R130 L131Y123-T127 WeakPolarHBondContact CE1-OG1 3.34Å; Y123-T127 WeakPolarHBondContact O-CB 3.45Å; Y123-T127 PolarHBondContact O-N 3.05Å; Y123-T127 PolarHBondContact O-OG1 3.35Å; L124-T127 WeakPolarHBondContact O-CB 3.26Å; L124-T127 PolarHBondContact O-N 3.29Å; L124-T127 VanDerWaalsContact O-N 3.14Å; H125-T127 VanDerWaalsContact C-N 3.31Å; H125-T127 PolarHBondContact O-N 3.13Å; T127-K129 VanDerWaalsContact C-N 3.35Å; T127-R130 PolarHBondContact O-N 2.91Å; T127-L131 WeakPolarHBondContact O-CB 3Å; T127-L131 PolarHBondContact O-N 3.05Å
128F82.6Confident73.3Confident112 Ų112107.8 Ų107.849%0.49153%0.531SS..Hα-helixtrans-61.3-44.8175.1-72-60.8000111.1L124 H125 R130 L131 D132L124-F128 HydrophobicContact CB-CE2 4.32Å; L124-F128 WeakPolarHBondContact O-CD2 3.44Å; L124-F128 PolarHBondContact O-N 2.91Å; H125-F128 PolarHBondContact O-N 3.34Å; F128-R130 VanDerWaalsContact C-N 3.34Å; F128-R130 PolarHBondContact O-N 3.29Å; F128-L131 WeakPolarHBondContact O-CB 3.39Å; F128-L131 PolarHBondContact O-N 3.4Å; F128-L131 VanDerWaalsContact O-N 3.13Å; F128-D132 PolarHBondContact O-N 2.96Å
129K84.9Confident75.2Confident115 Ų115103.9 Ų103.950%0.552%0.515SS..Hα-helixtrans-61.2-41.1175.9-171.3179.4-177.2-58.70112.4H125 T127 L131 D132 D133H125-K129 VanDerWaalsContact O-CB 3.28Å; H125-K129 WeakPolarHBondContact O-CB 3.28Å; H125-K129 PolarHBondContact O-N 3.11Å; T127-K129 VanDerWaalsContact C-N 3.35Å; K129-L131 VanDerWaalsContact C-N 3.3Å; K129-L131 PolarHBondContact O-N 2.95Å; K129-D132 PolarHBondContact O-N 3.12Å; K129-D133 IonicContact NZ-OD1 3.96Å; K129-D133 IonicContact NZ-OD2 3.61Å; K129-D133 PolarHBondContact NZ-OD2 3.34Å; K129-D133 WeakPolarHBondContact O-CB 3.47Å; K129-D133 PolarHBondContact O-N 3.38Å
130R81.7Confident77.2Confident148 Ų148102.3 Ų102.356%0.55850%0.501SS*.Hα-helixtrans-68.8-30177.7-160.6-175.5-57.8-178.12.4112D126 T127 F128 K134D126-R130 WeakPolarHBondContact O-CB 3.49Å; D126-R130 PolarHBondContact O-N 2.99Å; T127-R130 PolarHBondContact O-N 2.91Å; F128-R130 VanDerWaalsContact C-N 3.34Å; F128-R130 PolarHBondContact O-N 3.29Å; R130-K134 WeakPolarHBondContact O-CB 3.48Å; R130-K134 WeakPolarHBondContact O-CG 3.37Å; R130-K134 PolarHBondContact O-N 3.49Å
131L85.8Confident78.9Confident98 Ų98102.2 Ų102.251%0.51350%0.498SS..Hα-helixtrans-69.6-48.3172.1-167.9100.5000110.6T127 F128 K129 K134 M135T127-L131 WeakPolarHBondContact O-CB 3Å; T127-L131 PolarHBondContact O-N 3.05Å; F128-L131 WeakPolarHBondContact O-CB 3.39Å; F128-L131 PolarHBondContact O-N 3.4Å; F128-L131 VanDerWaalsContact O-N 3.13Å; K129-L131 VanDerWaalsContact C-N 3.3Å; K129-L131 PolarHBondContact O-N 2.95Å; L131-K134 WeakPolarHBondContact O-CB 3.47Å; L131-K134 PolarHBondContact O-N 3.01Å; L131-K134 VanDerWaalsContact O-N 3.12Å; L131-M135 WeakPolarHBondContact O-CG 3.48Å; L131-M135 PolarHBondContact O-N 3.03Å
132D85.4Confident80.2Confident90 Ų9099.8 Ų99.848%0.48149%0.489SS..Hα-helixtrans-60.3-47.4177.2-71.9-20.2000111.4F128 K129 K134 M135 E136F128-D132 PolarHBondContact O-N 2.96Å; K129-D132 PolarHBondContact O-N 3.12Å; D132-K134 PolarHBondContact O-N 3.07Å; D132-M135 PolarHBondContact O-N 3.03Å; D132-M135 VanDerWaalsContact O-N 3.15Å; D132-E136 WeakPolarHBondContact O-CB 3.37Å; D132-E136 PolarHBondContact O-N 2.95Å
133D87.5Confident81.3Confident89 Ų8998.9 Ų98.948%0.47649%0.485SS..Hα-helixtrans-59.9-34.1176.2-71-25.5000111.3K129 N137K129-D133 IonicContact NZ-OD1 3.96Å; K129-D133 IonicContact NZ-OD2 3.61Å; K129-D133 PolarHBondContact NZ-OD2 3.34Å; K129-D133 WeakPolarHBondContact O-CB 3.47Å; K129-D133 PolarHBondContact O-N 3.38Å; D133-N137 VanDerWaalsContact O-CB 3.3Å; D133-N137 WeakPolarHBondContact O-CB 3.34Å; D133-N137 PolarHBondContact O-N 3.5Å
134K87.6Confident82.5Confident147 Ų147100.1 Ų100.164%0.63949%0.493SS*.Hα-helixtrans-73.4-41.4174.9-85.3-178.4177.7-173.20112.6R130 L131 D132 E136 N137 F138R130-K134 WeakPolarHBondContact O-CB 3.48Å; R130-K134 WeakPolarHBondContact O-CG 3.37Å; R130-K134 PolarHBondContact O-N 3.49Å; L131-K134 WeakPolarHBondContact O-CB 3.47Å; L131-K134 PolarHBondContact O-N 3.01Å; L131-K134 VanDerWaalsContact O-N 3.12Å; D132-K134 PolarHBondContact O-N 3.07Å; K134-E136 VanDerWaalsContact C-N 3.35Å; K134-N137 PolarHBondContact O-N 3.31Å; K134-F138 WeakPolarHBondContact O-CB 3.43Å; K134-F138 PolarHBondContact O-N 3.47Å
135M85.8Confident83.1Confident114 Ų114101.1 Ų101.156%0.56250%0.498SS*.Hα-helixtrans-63.7-42.8176.5-70.7-132.9-60.500111.1L131 D132 F138 S139L131-M135 WeakPolarHBondContact O-CG 3.48Å; L131-M135 PolarHBondContact O-N 3.03Å; D132-M135 PolarHBondContact O-N 3.03Å; D132-M135 VanDerWaalsContact O-N 3.15Å; M135-F138 PolarHBondContact O-N 3.26Å; M135-S139 PolarHBondContact O-N 3.13Å
136E88.1Confident83.5Confident123 Ų12399.6 Ų99.658%0.57550%0.497SS*.Hα-helixtrans-62.5-44.9174.8-169.660.3-147.600110.7D132 K134 F138 S139 T140D132-E136 WeakPolarHBondContact O-CB 3.37Å; D132-E136 PolarHBondContact O-N 2.95Å; K134-E136 VanDerWaalsContact C-N 3.35Å; E136-F138 VanDerWaalsContact C-N 3.34Å; E136-F138 PolarHBondContact O-N 2.97Å; E136-S139 WeakPolarHBondContact O-CB 3.46Å; E136-S139 PolarHBondContact O-N 3.08Å; E136-T140 WeakPolarHBondContact O-CG2 3.37Å; E136-T140 PolarHBondContact O-N 2.87Å
137N88Confident83.7Confident82 Ų82101.1 Ų101.144%0.43950%0.502SS..Hα-helixtrans-60.9-42.4175.2-169.3-1.4000111.8D133 K134 S139 T140 Q141D133-N137 VanDerWaalsContact O-CB 3.3Å; D133-N137 WeakPolarHBondContact O-CB 3.34Å; D133-N137 PolarHBondContact O-N 3.5Å; K134-N137 PolarHBondContact O-N 3.31Å; N137-S139 VanDerWaalsContact C-N 3.34Å; N137-S139 PolarHBondContact O-N 2.82Å; N137-T140 PolarHBondContact O-N 3.27Å; N137-T140 PolarHBondContact O-OG1 2.92Å; N137-Q141 WeakPolarHBondContact O-CG 3.14Å; N137-Q141 PolarHBondContact O-N 3.2Å; N137-Q141 PolarHBondContact OD1-NE2 3.37Å
138F86Confident83.7Confident130 Ų130102.3 Ų102.357%0.5751%0.512SS*.Hα-helixtrans-61.5-41.9175.1-173.6-106.1000112.1K134 M135 E136 T140 Q141 L142K134-F138 WeakPolarHBondContact O-CB 3.43Å; K134-F138 PolarHBondContact O-N 3.47Å; M135-F138 PolarHBondContact O-N 3.26Å; E136-F138 VanDerWaalsContact C-N 3.34Å; E136-F138 PolarHBondContact O-N 2.97Å; F138-T140 PolarHBondContact O-N 3.14Å; F138-Q141 PolarHBondContact O-N 2.94Å; F138-L142 HydrophobicContact CD1-CD1 3.71Å; F138-L142 HydrophobicContact CD1-CG 4.33Å; F138-L142 HydrophobicContact CE1-CD1 3.31Å; F138-L142 HydrophobicContact CE1-CG 4Å; F138-L142 HydrophobicContact CZ-CD1 3.9Å; F138-L142 HydrophobicContact CZ-CD2 4.46Å; F138-L142 HydrophobicContact CZ-CG 4.15Å; F138-L142 WeakPolarHBondContact O-CB 3.44Å; F138-L142 PolarHBondContact O-N 2.87Å
139S82.2Confident83Confident56 Ų56103.4 Ų103.439%0.39252%0.522SS..Hα-helixtrans-59.7-44174-172.50000112.1M135 E136 N137 L142 S143M135-S139 PolarHBondContact O-N 3.13Å; E136-S139 WeakPolarHBondContact O-CB 3.46Å; E136-S139 PolarHBondContact O-N 3.08Å; N137-S139 VanDerWaalsContact C-N 3.34Å; N137-S139 PolarHBondContact O-N 2.82Å; S139-L142 PolarHBondContact O-N 3.38Å; S139-S143 WeakPolarHBondContact O-CB 3.19Å; S139-S143 PolarHBondContact O-N 3.13Å; S139-S143 PolarHBondContact O-OG 3.06Å
140T83.9Confident82.2Confident55 Ų55102.6 Ų102.634%0.33753%0.531SS..Hα-helixtrans-68.3-35.1176.267.20000113.1E136 N137 F138 S143 K144E136-T140 WeakPolarHBondContact O-CG2 3.37Å; E136-T140 PolarHBondContact O-N 2.87Å; N137-T140 PolarHBondContact O-N 3.27Å; N137-T140 PolarHBondContact O-OG1 2.92Å; F138-T140 PolarHBondContact O-N 3.14Å; T140-S143 PolarHBondContact O-N 3.39Å; T140-K144 WeakPolarHBondContact O-CG 3.44Å; T140-K144 PolarHBondContact O-N 2.92Å
141Q84.8Confident80.7Confident105 Ų105102.5 Ų102.549%0.49154%0.537SS..Hα-helixtrans-68.9-42.7176-73.6178.530.700111.7N137 F138 S143 K144 L145N137-Q141 WeakPolarHBondContact O-CG 3.14Å; N137-Q141 PolarHBondContact O-N 3.2Å; N137-Q141 PolarHBondContact OD1-NE2 3.37Å; F138-Q141 PolarHBondContact O-N 2.94Å; Q141-S143 VanDerWaalsContact C-N 3.31Å; Q141-S143 PolarHBondContact O-N 3.18Å; Q141-K144 PolarHBondContact O-N 2.77Å; Q141-L145 WeakPolarHBondContact O-CB 3.41Å; Q141-L145 PolarHBondContact O-N 2.94Å
142L80.6Confident78.5Confident80 Ų80107.1 Ų107.142%0.41955%0.553SS.*Hα-helixtrans-59.2-44.6171.2-80.8174.4000110.9F138 S139 K144 L145 V146F138-L142 HydrophobicContact CD1-CD1 3.71Å; F138-L142 HydrophobicContact CD1-CG 4.33Å; F138-L142 HydrophobicContact CE1-CD1 3.31Å; F138-L142 HydrophobicContact CE1-CG 4Å; F138-L142 HydrophobicContact CZ-CD1 3.9Å; F138-L142 HydrophobicContact CZ-CD2 4.46Å; F138-L142 HydrophobicContact CZ-CG 4.15Å; F138-L142 WeakPolarHBondContact O-CB 3.44Å; F138-L142 PolarHBondContact O-N 2.87Å; S139-L142 PolarHBondContact O-N 3.38Å; L142-K144 PolarHBondContact O-N 3.1Å; L142-L145 PolarHBondContact O-N 2.99Å; L142-V146 WeakPolarHBondContact O-CB 3.48Å; L142-V146 VanDerWaalsContact O-CG2 3.26Å; L142-V146 WeakPolarHBondContact O-CG2 3.36Å; L142-V146 PolarHBondContact O-N 3.19Å
143S83.2Confident76.4Confident70 Ų70108 Ų10849%0.4957%0.566SS.*Hα-helixtrans-60.5-45.5177.1-60.80000111.7S139 T140 Q141 L145 V146 E147S139-S143 WeakPolarHBondContact O-CB 3.19Å; S139-S143 PolarHBondContact O-N 3.13Å; S139-S143 PolarHBondContact O-OG 3.06Å; T140-S143 PolarHBondContact O-N 3.39Å; Q141-S143 VanDerWaalsContact C-N 3.31Å; Q141-S143 PolarHBondContact O-N 3.18Å; S143-L145 VanDerWaalsContact C-N 3.35Å; S143-L145 PolarHBondContact O-N 3.05Å; S143-V146 PolarHBondContact O-N 2.58Å; S143-E147 WeakPolarHBondContact O-CB 3.49Å; S143-E147 PolarHBondContact O-N 3.07Å
144K83.4Confident73.8Confident139 Ų139108 Ų10860%0.60458%0.579SS**Hα-helixtrans-63.2-38.1174.5-76.7177.4-178173.20112.8T140 Q141 L142 E147 S148T140-K144 WeakPolarHBondContact O-CG 3.44Å; T140-K144 PolarHBondContact O-N 2.92Å; Q141-K144 PolarHBondContact O-N 2.77Å; L142-K144 PolarHBondContact O-N 3.1Å; K144-E147 PolarHBondContact O-N 3.11Å; K144-S148 VanDerWaalsContact O-CB 3.29Å; K144-S148 WeakPolarHBondContact O-CB 3.17Å; K144-S148 PolarHBondContact O-N 3.08Å; K144-S148 PolarHBondContact O-OG 2.94Å
145L79.7Confident71.4Confident101 Ų101107.2 Ų107.253%0.52959%0.589SS.*Hα-helixtrans-66.8-44.7177.4-17568.7000110.6Q141 L142 S143 E147 S148 L149Q141-L145 WeakPolarHBondContact O-CB 3.41Å; Q141-L145 PolarHBondContact O-N 2.94Å; L142-L145 PolarHBondContact O-N 2.99Å; S143-L145 VanDerWaalsContact C-N 3.35Å; S143-L145 PolarHBondContact O-N 3.05Å; L145-E147 VanDerWaalsContact C-N 3.33Å; L145-E147 PolarHBondContact O-N 3.3Å; L145-S148 PolarHBondContact O-N 3.46Å; L145-L149 HydrophobicContact CG-CD1 4.09Å; L145-L149 WeakPolarHBondContact O-CB 3.39Å; L145-L149 WeakPolarHBondContact O-CD1 3.5Å; L145-L149 WeakPolarHBondContact O-CG 3.41Å; L145-L149 PolarHBondContact O-N 3.33Å
146V78.8Confident68.8Low94 Ų94105.2 Ų105.257%0.5760%0.597SS**Hα-helixtrans-61.8-42175171.30000110.8L142 S143 L149 S150L142-V146 WeakPolarHBondContact O-CB 3.48Å; L142-V146 VanDerWaalsContact O-CG2 3.26Å; L142-V146 WeakPolarHBondContact O-CG2 3.36Å; L142-V146 PolarHBondContact O-N 3.19Å; S143-V146 PolarHBondContact O-N 2.58Å; V146-L149 PolarHBondContact O-N 2.99Å; V146-S150 WeakPolarHBondContact O-CB 3.43Å; V146-S150 PolarHBondContact O-N 3.04Å
147E81Confident66.1Low124 Ų124105.1 Ų105.158%0.57961%0.61SS**Hα-helixtrans-67.6-38.3176.7-162.9161.4-149.900111.8S143 K144 L145 L149 S150 Q151S143-E147 WeakPolarHBondContact O-CB 3.49Å; S143-E147 PolarHBondContact O-N 3.07Å; K144-E147 PolarHBondContact O-N 3.11Å; L145-E147 VanDerWaalsContact C-N 3.33Å; L145-E147 PolarHBondContact O-N 3.3Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 2.94Å; E147-S150 PolarHBondContact O-N 3.21Å; E147-Q151 WeakPolarHBondContact O-CG 3.26Å; E147-Q151 PolarHBondContact O-N 3.34Å
148S77.4Confident63.6Low77 Ų77106.1 Ų106.154%0.53863%0.629SS.*Hα-helixtrans-65.4-35.6173.8-57.40000112.5K144 L145K144-S148 VanDerWaalsContact O-CB 3.29Å; K144-S148 WeakPolarHBondContact O-CB 3.17Å; K144-S148 PolarHBondContact O-N 3.08Å; K144-S148 PolarHBondContact O-OG 2.94Å; L145-S148 PolarHBondContact O-N 3.46Å
149L66.5Low61Low134 Ų134111.4 Ų111.470%0.70265%0.646SS**Hα-helixtrans-73.2-33174.2-75.3159.9000111.9L145 V146 E147 Q151L145-L149 HydrophobicContact CG-CD1 4.09Å; L145-L149 WeakPolarHBondContact O-CB 3.39Å; L145-L149 WeakPolarHBondContact O-CD1 3.5Å; L145-L149 WeakPolarHBondContact O-CG 3.41Å; L145-L149 PolarHBondContact O-N 3.33Å; V146-L149 PolarHBondContact O-N 2.99Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 2.94Å; L149-Q151 VanDerWaalsContact C-N 3.33Å
150S69.8Low58.7Low99 Ų99117.8 Ų117.869%0.69267%0.666SS**Hα-helixtrans-74.8-25.1175.8-162.90000112.2V146 E147 K152V146-S150 WeakPolarHBondContact O-CB 3.43Å; V146-S150 PolarHBondContact O-N 3.04Å; E147-S150 PolarHBondContact O-N 3.21Å; S150-K152 PolarHBondContact O-N 3.37Å
151Q49.7Very low56.2Low145 Ų145120.8 Ų120.868%0.67869%0.687SS**SBendtrans-72.475.1166.3-71.3-175.113.400110.2E147 L149 S153E147-Q151 WeakPolarHBondContact O-CG 3.26Å; E147-Q151 PolarHBondContact O-N 3.34Å; L149-Q151 VanDerWaalsContact C-N 3.33Å; Q151-S153 PolarHBondContact O-N 2.9Å
152K40.1Very low53.6Low195 Ų195126 Ų12685%0.84871%0.708SS**  trans-51.4106.6162.4-172.2169.8-175.6175.90108.1S150 A154S150-K152 PolarHBondContact O-N 3.37Å; K152-A154 PolarHBondContact O-N 3.44Å
153S40.2Very low51.3Low109 Ų109127.8 Ų127.876%0.76272%0.722SS**  trans-57.5107.4176.544.30000109.9Q151Q151-S153 PolarHBondContact O-N 2.9Å
154A33.7Very low48.9Very low89 Ų89130.3 Ų130.374%0.73674%0.737SS**  trans-67.5131.2153.300000107.3K152 G156K152-A154 PolarHBondContact O-N 3.44Å; A154-G156 PolarHBondContact O-N 3.11Å
155P37.3Very low46.4Very low131 Ų131128.3 Ų128.385%0.85175%0.747SS**  trans-75.5120.2-173.530.3-31.4000108.8
156G30.7Very low44.3Very low72 Ų72128.6 Ų128.674%0.74276%0.764SS**  trans-166.888.9-175.500000115.1A154A154-G156 PolarHBondContact O-N 3.11Å
157S32.1Very low41.9Very low120 Ų120130.7 Ų130.784%0.83978%0.777SS**  trans78.898158.3-154.30000117.8R159S157-R159 PolarHBondContact O-N 3Å
158A33.7Very low39.5Very low103 Ų103129 Ų12985%0.85178%0.784SS**  trans-53.9100.1162.700000111.2
159R33.1Very low37Very low242 Ų242130.3 Ų130.391%0.91379%0.793SS**  trans-94.3107.1161.8-142.9174.1-171.41802.5108.2S157S157-R159 PolarHBondContact O-N 3Å
160K32.2Very low35.2Very low189 Ų189129.7 Ų129.782%0.82279%0.794SS**  trans-48.3144.5178.9-77.8179.5174.4179.10112.4
161P32.8Very low33.1Very low119 Ų119131.4 Ų131.477%0.77380%0.796SS**  trans-67.8135.2179.727.5-32.7000111.1T163P161-T163 PolarHBondContact O-N 3.26Å
162K30.5Very low32Very low214 Ų214131.1 Ų131.193%0.9380%0.804SS**  trans-94.890.1175.1-148.4178.8-172.8-175.90107.6
163T30.6Very low31.5Very low117 Ų117126.3 Ų126.372%0.71880%0.801SS**  trans-71.2143.9170.2-42.20000109.2P161P161-T163 PolarHBondContact O-N 3.26Å
164P34.5Very low30.9Very low123 Ų123125.7 Ų125.780%0.79980%0.803SS**  trans-80.4135.6-166.817.6-7.5000112
165A29.5Very low30.9Very low98 Ų98127.7 Ų127.781%0.8181%0.811SS**  trans-89.2109.8175.700000109.9
166A35.5Very low30.2Very low107 Ų107130.2 Ų130.288%0.88481%0.809SS**  trans-73.8126.6160.200000109
167T29Very low30.2Very low137 Ų137132.5 Ų132.584%0.8481%0.811SS**  trans-85.1142.2178.533.80000112.3
168A30.3Very low29.8Very low88 Ų88131.2 Ų131.273%0.72780%0.798SS**  trans123.687.4159.800000110.9
169S25.1Very low29.7Very low106 Ų106134.5 Ų134.574%0.74180%0.8SS**  86120.590.873.80000112.7
170V29.7Very low29.2Very low120 Ų120128.6 Ų128.673%0.72779%0.791SS**  160.1112.6121.91630000109.9
171N24Very low29.2Very low136 Ų136125.1 Ų125.173%0.72779%0.79SS**  trans65.3134.3138.8-61.3-3.4000124.5
172T26.9Very low28.8Very low138 Ų138128 Ų12885%0.84779%0.791SS**  trans95.9138.2131.723.20000120.9
173A30.5Very low28.9Very low94 Ų94123.9 Ų123.978%0.77779%0.786SS**  trans88.185.1162.500000118
174A26.7Very low28.7Very low97 Ų97124.6 Ų124.680%0.80278%0.784SS**  28113.2122.700000118.4
175S34.3Very low28.5Very low130 Ų130126.7 Ų126.791%0.90979%0.787SS**  trans-166.9116.5139.4-76.50000110.6
176K22.1Very low28.2Very low184 Ų184125.9 Ų125.980%0.878%0.781SS**  trans-90.9141.2167.9-150.1-172.7-178.9-178.10106.3T178K176-T178 VanDerWaalsContact CE-OG1 3.3Å; K176-T178 WeakPolarHBondContact CE-OG1 3.22Å
177P31.6Very low27.9Very low121 Ų121126.5 Ų126.579%0.78678%0.776SS**  -140.4130.482.131.6-13000111.9
178T22.8Very low27.6Very low92 Ų92127.4 Ų127.456%0.56477%0.771SS**  38.196.887.2-40.60000114.7K176K176-T178 VanDerWaalsContact CE-OG1 3.3Å; K176-T178 WeakPolarHBondContact CE-OG1 3.22Å
179L31Very low27.7Very low173 Ų173131.2 Ų131.291%0.90678%0.778SS**  trans-148.9112.7136.5-103.6164.4000108.7
180T24.3Very low27.6Very low118 Ų118130.4 Ų130.472%0.72477%0.772SS**  trans-83.4126.1175.944.80000109.8
181S32.1Very low27.7Very low115 Ų115130.3 Ų130.380%0.80477%0.774SS**  trans-164.8104.3145.141.90000110.4
182K24.7Very low27.7Very low181 Ų181130.2 Ų130.279%0.78778%0.778SS**  trans-63147.8157.2-67.2170.2174176.90108.3I184K182-I184 HydrophobicContact CD-CD1 4.07Å; K182-I184 HydrophobicContact CD-CG1 4.43Å
183P31.6Very low27.9Very low127 Ų127128.8 Ų128.883%0.82577%0.774SS**  -121.5116.8122.126.5-15.2000109.3
184I26.6Very low27.7Very low132 Ų132130.8 Ų130.868%0.67778%0.777SS**  trans-72.7126.4157.3-68.5161.6000105.5K182K182-I184 HydrophobicContact CD-CD1 4.07Å; K182-I184 HydrophobicContact CD-CG1 4.43Å
185L30.3Very low27.7Very low166 Ų166132.2 Ų132.287%0.86978%0.778SS**  trans-165.7101145.3-102.5159.4000108.2
186A22.7Very low27.3Very low81 Ų81135.6 Ų135.667%0.66978%0.776SS**  trans-68.3150153.200000108.5
187P29.2Very low27.6Very low120 Ų120132.1 Ų132.178%0.77978%0.775SS**  -127.3122.4117.913.95000111.3L189P187-L189 PolarHBondContact O-N 2.9Å
188Q23.7Very low27.3Very low157 Ų157130.8 Ų130.873%0.73477%0.774SS**  trans-45.9120.5149.4-82.4-89.16.200110.9
189L31.3Very low27.7Very low167 Ų167132.5 Ų132.587%0.87479%0.787SS**  trans-140.594.8148.5-78178.2000108.1P187P187-L189 PolarHBondContact O-N 2.9Å
190S22.5Very low27.4Very low90 Ų90128.7 Ų128.763%0.62978%0.781SS**  trans-90.9133.6151.435.60000107.8
191P32.6Very low27.4Very low118 Ų118128.3 Ų128.377%0.76678%0.783SS**  trans-110.5110.6144.220.9-5.7000108.4
192T23.3Very low27.1Very low133 Ų133128.4 Ų128.482%0.81678%0.778SS**  trans-50.8123.5146.827.80000110.3
193S32.8Very low27.4Very low108 Ų108127.8 Ų127.876%0.75578%0.782SS**  -179.4121.9129.9370000111.3
194T24.7Very low27.2Very low136 Ų136131.1 Ų131.183%0.83478%0.784SS**  trans-57.5149.5156.632.60000111.1
195P28.6Very low27.3Very low127 Ų127131 Ų13183%0.82579%0.792SS**  -120.2138.7123.733.3-27.6000111.4
196K24Very low27.2Very low201 Ų201126.4 Ų126.487%0.87479%0.785SS**  trans-82.4127.2175.1-179.1-179.3-173.6174.90107.7
197S30.3Very low27.4Very low112 Ų112128.5 Ų128.578%0.78379%0.794SS**  trans-157.994155.653.50000110.1
198A24.1Very low27.1Very low92 Ų92130 Ų13076%0.7679%0.794SS**  trans-81.9137.7152.100000108.3
199P30.9Very low27.4Very low128 Ų128128.6 Ų128.683%0.83180%0.798SS**  trans-88.4115.8148.729.2-19.2000108.3
200A24.8Very low27Very low94 Ų94129.2 Ų129.278%0.77779%0.794SS**  trans-95.7156153.200000108.1
201S24.6Very low27.1Very low110 Ų110132.8 Ų132.877%0.76981%0.805SS**  trans106.6110.5145.4-151.80000118
202V25.3Very low27Very low116 Ų116132.1 Ų132.170%0.70381%0.81SS**  79119.6126.9173.90000118
203L32.4Very low27.2Very low168 Ų168130.7 Ų130.788%0.8881%0.805SS**  -160.4113.1117.3-89176.9000110.2
204K26.6Very low26.7Very low198 Ų198130.3 Ų130.386%0.86180%0.798SS**  trans-107.9147.1146.4-100.5-174.8179.6179.10104.9
205P29.7Very low26.8Very low130 Ų130130.1 Ų130.184%0.84480%0.8SS**  -158.3164.691.137.7-17.1000117.9
206G26.6Very low26.5Very low69 Ų69133.1 Ų133.171%0.71180%0.8SS**  trans111.5144.1147.400000116
207S28.1Very low26.7Very low125 Ų125129.5 Ų129.587%0.87480%0.8SS**  cis-169.4160.2-14.2-90.60000107.6
208I23.1Very low26.4Very low151 Ų151132.1 Ų132.177%0.77480%0.802SS**  trans-88.9162.7-165.3-44.4163.7000112.1K210I208-K210 HydrophobicContact CG2-CB 4.24Å
209P29.2Very low26.3Very low127 Ų127133.6 Ų133.683%0.82580%0.801SS**  -137.7137.495.235.2-20.9000111.7
210K22Very low26Very low180 Ų180133.6 Ų133.678%0.78379%0.793SS**  88130.251.4-148.1179.3-172.8176.10114.1I208I208-K210 HydrophobicContact CG2-CB 4.24Å
211L24.8Very low25.9Very low165 Ų165136.8 Ų136.886%0.86480%0.796SS**  trans84.1127.7177.2-68.3102.9000115.5
212A30.7Very low26Very low105 Ų105139.6 Ų139.687%0.86880%0.798SS**  cis-137.7165.23500000115.2
213S27.2Very low25.8Very low102 Ų102139.3 Ų139.371%0.71381%0.807SS**  trans-90.2143.6-163.2144.40000114.6
214T23.3Very low25.3Very low100 Ų100134.1 Ų134.161%0.61379%0.794SS**  trans8.9145.7140.132.10000120.9K216T214-K216 HydrophobicContact CG2-CG 4.13Å
215P25.5Very low25.2Very low132 Ų132129.1 Ų129.186%0.85779%0.79SS**  -125.1138.182.233.5-23.1000114.5
216K24.2Very low24.8Very low190 Ų190131 Ų13183%0.82679%0.792SS**PPolyproline II helixtrans-72.9129.4165.7-71.9167.9174.4174.10108.7T214T214-K216 HydrophobicContact CG2-CG 4.13Å
217S26.7Very low24.8Very low125 Ų125133.4 Ų133.487%0.87479%0.793SS**PPolyproline II helixtrans-96.8134.3154-173.20000108.5
218M25.2Very low24.6Very low168 Ų168132.3 Ų132.383%0.82879%0.785SS**PPolyproline II helixtrans-68.1138.4-172.6-80.8161.647.500112.8
219V21Very low24.9Very low123 Ų123130.7 Ų130.775%0.74579%0.787SS**  trans-29.1137150.2174.70000113.3
220I25.1Very low24.6Very low128 Ų128130.4 Ų130.466%0.65678%0.783SS**  -163.6113.9123-91148.4000108.4Q222I220-Q222 HydrophobicContact CG2-CG 3.76Å
221N23.1Very low24.8Very low160 Ų160125.8 Ų125.886%0.85678%0.779SS**  trans-69.7121.4158-73.2-31.8000107.5
222Q25.5Very low24.9Very low170 Ų170125.6 Ų125.679%0.79478%0.778SS**  trans-11988.1159.8-87-174.636.300108.8I220I220-Q222 HydrophobicContact CG2-CG 3.76Å
223A21.5Very low24.6Very low109 Ų109129.7 Ų129.790%0.90178%0.777SS**  trans-87.4111.8143.200000106.2
224G22.7Very low24.6Very low59 Ų59132.5 Ų132.561%0.60878%0.783SS**  trans154.789.617600000114.8
225A23.2Very low24.7Very low94 Ų94137 Ų13778%0.77779%0.794SS**  trans44.4116.7136.300000120.3
226L22.9Very low24.9Very low168 Ų168135.3 Ų135.388%0.8879%0.785SS**  trans170.3129141.6-95.4146.3000104.7
227V26.9Very low25Very low121 Ų121132.4 Ų132.473%0.73378%0.784SS**  cis-155.513935.51770000108.6S229V227-S229 PolarHBondContact O-N 3.4Å; V227-S229 VanDerWaalsContact O-N 3.12Å
228S22Very low25Very low102 Ų102132 Ų13271%0.71378%0.778SS**  trans-57.7101.5161.4-164.70000110.4T230S228-T230 PolarHBondContact O-N 2.95Å
229S30.8Very low25.2Very low117 Ų117132.2 Ų132.282%0.81878%0.781SS**  trans-83.597162.161.90000108.3V227V227-S229 PolarHBondContact O-N 3.4Å; V227-S229 VanDerWaalsContact O-N 3.12Å
230T22.9Very low25.4Very low121 Ų121135.4 Ų135.474%0.74278%0.784SS**  trans-65.2149.8165.628.80000110.7S228S228-T230 PolarHBondContact O-N 2.95Å
231A25.6Very low25.9Very low83 Ų83134.6 Ų134.669%0.68679%0.788SS**  trans7493.3158.800000118.3
232N27.6Very low26.1Very low160 Ų160132.7 Ų132.786%0.85679%0.787SS**  -131.789.9119.2-94.3-26.5000109.2L234N232-L234 VanDerWaalsContact C-N 3.33Å; N232-L234 PolarHBondContact O-N 3.48Å; N232-L234 VanDerWaalsContact O-N 3.14Å
233K24Very low26.1Very low192 Ų192129.1 Ų129.184%0.83578%0.781SS**  trans-71.690.3160-81.6-169.4174.4-174.90107.5K235K233-K235 PolarHBondContact O-N 3.4Å
234L27.4Very low26.3Very low160 Ų160130.9 Ų130.984%0.83878%0.775SS**  trans-85.8102.3156.6-81.6165.5000108N232N232-L234 VanDerWaalsContact C-N 3.33Å; N232-L234 PolarHBondContact O-N 3.48Å; N232-L234 VanDerWaalsContact O-N 3.14Å
235K24.6Very low26.5Very low194 Ų194136.3 Ų136.384%0.84378%0.784SS**  trans-91.3105.2174.2-139.3177.5-176.2-173.80105.7K233K233-K235 PolarHBondContact O-N 3.4Å
236S30.2Very low26.6Very low98 Ų98137.7 Ų137.769%0.68578%0.783SS**  trans-156.682.5162.453.20000108.8
237T26.1Very low26.8Very low128 Ų128137.1 Ų137.179%0.78578%0.78SS**  82112.5111.5-25.80000113.1
238P27.8Very low26.6Very low116 Ų116139.5 Ų139.575%0.75378%0.783SS**  trans-78.3130.9178.930.5-30.8000111K240P238-K240 PolarHBondContact O-N 3.26Å
239I27.8Very low26.9Very low174 Ų174145.6 Ų145.689%0.89279%0.79SS**  trans-72.8108.4168.3-58.9171.9000107.1
240K25.2Very low26.5Very low189 Ų189147.9 Ų147.982%0.82279%0.788SS**  trans-100.1157.8166.2-104.5-168.3173.8179.40109.2P238P238-K240 PolarHBondContact O-N 3.26Å
241P36.1Very low26.4Very low111 Ų111150.4 Ų150.472%0.72180%0.796SS**  -106.6154.8-123.437.4-31.1000112.7S243P241-S243 PolarHBondContact O-N 2.84Å
242S27.6Very low26.6Very low121 Ų121154 Ų15485%0.84680%0.803SS**  trans-75.8110.5165.9700000109.3
243S24.9Very low26.3Very low95 Ų95152.5 Ų152.566%0.66480%0.795SS**  trans-56.1128.6152.245.60000109.6P241P241-S243 PolarHBondContact O-N 2.84Å
244D25Very low26.2Very low146 Ų146151.5 Ų151.578%0.78179%0.793SS**  trans166.692.8132.7-81.4-15.4000110.1
245H28.2Very low26Very low172 Ų172149.9 Ų149.980%0.79680%0.795SS**  -176.191.2121.9-111-73000109.1L247H245-L247 PolarHBondContact O-N 2.74Å
246V25.1Very low26Very low123 Ų123143.7 Ų143.775%0.74579%0.786SS**  trans-77104.8160.4174.60000106.7E248V246-E248 HydrophobicContact CG1-CB 4.09Å
247L27.5Very low25.9Very low157 Ų157145.5 Ų145.582%0.82279%0.793SS**  trans-117.879.3153.2-78.6174.5000107.4H245 R249H245-L247 PolarHBondContact O-N 2.74Å; L247-R249 PolarHBondContact O-N 3.38Å
248E21.9Very low25.9Very low170 Ų170149.6 Ų149.679%0.79480%0.8SS**  trans-75.3107.8161.3-173.6178.1-17300107.9V246V246-E248 HydrophobicContact CG1-CB 4.09Å
249R27.6Very low26Very low231 Ų231153 Ų15387%0.87280%0.803SS**  trans-137.198.9156.7-88.2-164.1176171.8-0110.4L247L247-R249 PolarHBondContact O-N 3.38Å
250Q22.7Very low26Very low165 Ų165155.1 Ų155.177%0.77181%0.806SS**  trans52.5108.1135.2-72.7174.9-1.400118.6L252Q250-L252 PolarHBondContact O-N 3.1Å
251L22.5Very low26Very low173 Ų173153.9 Ų153.991%0.90680%0.803SS**  trans-40.7123142.3-76.8129.1000111.4
252L28.6Very low25.6Very low158 Ų158155.4 Ų155.483%0.82781%0.811SS**  trans-134.7125.9158.4-106.8149.9000109.2Q250Q250-L252 PolarHBondContact O-N 3.1Å
253N22.2Very low25.8Very low129 Ų129157.8 Ų157.869%0.6981%0.809SS**  trans-53.2150.6-174.3-72.6-19.7000116.4
254E20.8Very low26Very low172 Ų172157.9 Ų157.980%0.80481%0.809SS**  trans51.8137.7130.2-60.6-175146.400121.7
255S24Very low26.1Very low125 Ų125159 Ų15987%0.87481%0.814SS**  trans89.7121.6153.476.90000117.9
256G24.4Very low26.2Very low64 Ų64157 Ų15766%0.6681%0.814SS**  trans116.6111.9143.500000117.3
257T27.5Very low26.4Very low136 Ų136158.5 Ų158.583%0.83481%0.813SS**  trans85.7108.5145.865.80000120.1K259T257-K259 PolarHBondContact O-N 3.09Å
258K27.1Very low26.8Very low214 Ų214155.8 Ų155.893%0.9381%0.813SS**  trans5.8101140.8-63.6-177.6178.9-178.90115.2
259K28.9Very low27.4Very low188 Ų188154.9 Ų154.982%0.81781%0.808SS**  trans-130.6120.9148.8-92.9-178.4176.2175.90108.8T257 Q261T257-K259 PolarHBondContact O-N 3.09Å; K259-Q261 PolarHBondContact O-N 3.28Å
260K27.8Very low28Very low219 Ų219147.8 Ų147.895%0.95279%0.794SS**  trans-43.4109.1156.5-86175.2165.6-179.70107.7
261Q25.4Very low28.9Very low163 Ų163147.1 Ų147.176%0.76279%0.791SS**  trans-133.897.3163.4-118.5173-9.400106.1K259 E263K259-Q261 PolarHBondContact O-N 3.28Å; Q261-E263 VanDerWaalsContact C-N 3.29Å; Q261-E263 PolarHBondContact O-N 3.02Å
262T27.5Very low30.1Very low143 Ų143144.1 Ų144.188%0.87778%0.775SS**  trans-7.983.9135.6210000113.5
263E31.1Very low30.9Very low171 Ų171144 Ų14480%0.79977%0.77SS**  trans-98.7103153.6-79.9-176.6165.100106.9Q261 L265Q261-E263 VanDerWaalsContact C-N 3.29Å; Q261-E263 PolarHBondContact O-N 3.02Å; E263-L265 PolarHBondContact O-N 3.38Å
264S29.9Very low32.2Very low96 Ų96141.4 Ų141.467%0.67176%0.756SS**  trans22.978.514151.80000115.6T266S264-T266 PolarHBondContact O-N 2.91Å
265L27.3Very low34.3Very low171 Ų171138.1 Ų138.190%0.89575%0.75SS**  trans-74.761.1160.4-165.277.1000109E263E263-L265 PolarHBondContact O-N 3.38Å
266T31.2Very low36.2Very low128 Ų128141.1 Ų141.179%0.78574%0.742SS**  trans-114.355.2168.245.70000108.6S264S264-T266 PolarHBondContact O-N 2.91Å
267Q29.4Very low38Very low155 Ų155142 Ų14272%0.72473%0.728SS**  trans-131.280.7159.9-152.9173.223.900105.2H269Q267-H269 PolarHBondContact O-N 3.49Å
268A34.9Very low39.8Very low100 Ų100137.7 Ų137.783%0.82671%0.706SS**  trans-64.577.2161.900000106.4S270A268-S270 PolarHBondContact O-N 3.48Å
269H34Very low41.9Very low151 Ų151130.1 Ų130.170%0.69968%0.68SS**  trans-58.4108.5171.6-143.935.2000104.7Q267 Q271Q267-H269 PolarHBondContact O-N 3.49Å; H269-Q271 PolarHBondContact O-N 2.99Å
270S41.6Very low43.9Very low82 Ų82127 Ų12757%0.57367%0.67SS**  trans-51.5102.5-179.4-81.30000108.5A268 I272 E273A268-S270 PolarHBondContact O-N 3.48Å; S270-I272 PolarHBondContact O-N 3.49Å; S270-E273 PolarHBondContact O-N 3.47Å; S270-E273 VanDerWaalsContact O-N 3.16Å
271Q41.7Very low45.9Very low152 Ų152120 Ų12071%0.7164%0.642SS**G310 helixtrans-60.4-7.1176.3-74.6-154.9000112.6H269 E273 N274H269-Q271 PolarHBondContact O-N 2.99Å; Q271-E273 VanDerWaalsContact C-N 3.28Å; Q271-E273 PolarHBondContact O-N 2.85Å; Q271-N274 WeakPolarHBondContact O-CB 3.24Å; Q271-N274 PolarHBondContact O-N 3.14Å; Q271-N274 VanDerWaalsContact O-N 3.17Å
272I45.8Very low48.1Very low110 Ų110116.7 Ų116.756%0.56463%0.63SS**G310 helixtrans-64.3-28.7174.9-57.8171.5000112.1S270 N274S270-I272 PolarHBondContact O-N 3.49Å; I272-N274 PolarHBondContact O-N 2.9Å
273E46.8Very low50.3Low155 Ų155116.9 Ų116.972%0.72462%0.618SS**G310 helixtrans-78.4-6175.7-72.4-167.1162.700113.6S270 Q271 P275S270-E273 PolarHBondContact O-N 3.47Å; S270-E273 VanDerWaalsContact O-N 3.16Å; Q271-E273 VanDerWaalsContact C-N 3.28Å; Q271-E273 PolarHBondContact O-N 2.85Å; E273-P275 WeakPolarHBondContact O-CD 3.32Å
274N49.9Very low52.4Low75 Ų75111.3 Ų111.340%0.40160%0.601SS.*  trans-72.4113.9178.3-164-21.1000109.1Q271 I272 R276 F277 A278Q271-N274 WeakPolarHBondContact O-CB 3.24Å; Q271-N274 PolarHBondContact O-N 3.14Å; Q271-N274 VanDerWaalsContact O-N 3.17Å; I272-N274 PolarHBondContact O-N 2.9Å; N274-R276 PolarHBondContact O-N 2.91Å; N274-R276 WeakPolarHBondContact OD1-CB 3.42Å; N274-R276 PolarHBondContact OD1-N 2.83Å; N274-F277 HydrophobicContact CB-CB 4.36Å; N274-F277 WeakPolarHBondContact O-CB 3.27Å; N274-F277 PolarHBondContact O-N 2.84Å; N274-A278 PolarHBondContact O-N 2.82Å
275P63.8Low54.4Low103 Ų103110.7 Ų110.767%0.66959%0.59SS**Hα-helixtrans-58.1-21.2178.623.8-34.2000112.4E273 S279E273-P275 WeakPolarHBondContact O-CD 3.32Å; P275-S279 WeakPolarHBondContact O-CB 3.34Å; P275-S279 PolarHBondContact O-N 3.35Å
276R65Low56.7Low187 Ų187107.6 Ų107.671%0.70657%0.574SS**Hα-helixtrans-65.3-40.2170.8-69.4-168.1-179.7-144.52.4112.9N274 S279 M280N274-R276 PolarHBondContact O-N 2.91Å; N274-R276 WeakPolarHBondContact OD1-CB 3.42Å; N274-R276 PolarHBondContact OD1-N 2.83Å; R276-S279 PolarHBondContact O-N 3.39Å; R276-M280 WeakPolarHBondContact O-CB 3.3Å; R276-M280 PolarHBondContact O-N 3.19Å
277F61.8Low58.8Low83 Ų83106 Ų10636%0.36456%0.558SS.*Hα-helixtrans-69.6-42.1-179.8-169.6-106.9000111.2N274 M280 I281N274-F277 HydrophobicContact CB-CB 4.36Å; N274-F277 WeakPolarHBondContact O-CB 3.27Å; N274-F277 PolarHBondContact O-N 2.84Å; F277-M280 WeakPolarHBondContact O-CB 3.38Å; F277-M280 PolarHBondContact O-N 2.79Å; F277-I281 HydrophobicContact CD1-CD1 3.69Å; F277-I281 HydrophobicContact CD1-CG1 4.47Å; F277-I281 HydrophobicContact CE1-CD1 3.38Å; F277-I281 HydrophobicContact CE1-CG1 4.25Å; F277-I281 HydrophobicContact CZ-CD1 4.02Å; F277-I281 HydrophobicContact CZ-CG1 4.49Å; F277-I281 WeakPolarHBondContact O-CG1 3.29Å; F277-I281 PolarHBondContact O-N 3.48Å
278A65.9Low60.8Low45 Ų45101.1 Ų101.137%0.37254%0.538SS..Hα-helixtrans-59.3-48172.700000111.7N274 M280 I281 D282N274-A278 PolarHBondContact O-N 2.82Å; A278-M280 VanDerWaalsContact C-N 3.26Å; A278-M280 PolarHBondContact O-N 2.98Å; A278-I281 PolarHBondContact O-N 2.82Å; A278-D282 PolarHBondContact O-N 2.63Å
279S69.8Low62.4Low56 Ų56100 Ų10039%0.39252%0.518SS..Hα-helixtrans-62.3-32.5176.6-178.40000113.2P275 R276 K283P275-S279 WeakPolarHBondContact O-CB 3.34Å; P275-S279 PolarHBondContact O-N 3.35Å; R276-S279 PolarHBondContact O-N 3.39Å; S279-K283 WeakPolarHBondContact O-CG 3.46Å; S279-K283 PolarHBondContact O-N 3.17Å; S279-K283 VanDerWaalsContact O-N 3.08Å
280M72.3Confident64.2Low122 Ų12296.2 Ų96.260%0.60150%0.503SS*.Hα-helixtrans-68-43.7175.3-172.1-171.4-59.100111.6R276 F277 A278 K283 A284R276-M280 WeakPolarHBondContact O-CB 3.3Å; R276-M280 PolarHBondContact O-N 3.19Å; F277-M280 WeakPolarHBondContact O-CB 3.38Å; F277-M280 PolarHBondContact O-N 2.79Å; A278-M280 VanDerWaalsContact C-N 3.26Å; A278-M280 PolarHBondContact O-N 2.98Å; M280-K283 PolarHBondContact O-N 2.88Å; M280-A284 WeakPolarHBondContact O-CB 3.43Å; M280-A284 PolarHBondContact O-N 2.78Å
281I69.4Low65.5Low72 Ų7295.8 Ų95.837%0.36949%0.489SS..Hα-helixtrans-62.5-47.6175.1-68.4168.9000110.3F277 A278 K283 A284 I285F277-I281 HydrophobicContact CD1-CD1 3.69Å; F277-I281 HydrophobicContact CD1-CG1 4.47Å; F277-I281 HydrophobicContact CE1-CD1 3.38Å; F277-I281 HydrophobicContact CE1-CG1 4.25Å; F277-I281 HydrophobicContact CZ-CD1 4.02Å; F277-I281 HydrophobicContact CZ-CG1 4.49Å; F277-I281 WeakPolarHBondContact O-CG1 3.29Å; F277-I281 PolarHBondContact O-N 3.48Å; A278-I281 PolarHBondContact O-N 2.82Å; I281-K283 VanDerWaalsContact C-N 3.33Å; I281-K283 PolarHBondContact O-N 3.24Å; I281-A284 WeakPolarHBondContact O-CB 3.47Å; I281-A284 PolarHBondContact O-N 2.79Å; I281-I285 HydrophobicContact CG2-CD1 3.69Å; I281-I285 HydrophobicContact CG2-CG1 4.28Å; I281-I285 WeakPolarHBondContact O-CG1 3.41Å; I281-I285 PolarHBondContact O-N 3.49Å
282D70.4Confident66.7Low93 Ų9393.3 Ų93.350%0.49748%0.479SS..Hα-helixtrans-58.2-45.7179.9-69.7-25.1000111.1A278 A284 I285 D286A278-D282 PolarHBondContact O-N 2.63Å; D282-A284 VanDerWaalsContact C-N 3.34Å; D282-A284 PolarHBondContact O-N 3.47Å; D282-I285 PolarHBondContact O-N 3.11Å; D282-D286 WeakPolarHBondContact O-CB 3.33Å; D282-D286 PolarHBondContact O-N 3.38Å
283K74.9Confident67.6Low148 Ų14895.4 Ų95.464%0.64349%0.486SS*.Hα-helixtrans-61.8-38.4174.8-76.9179.6-179.4-179.90113S279 M280 I281 H287S279-K283 WeakPolarHBondContact O-CG 3.46Å; S279-K283 PolarHBondContact O-N 3.17Å; S279-K283 VanDerWaalsContact O-N 3.08Å; M280-K283 PolarHBondContact O-N 2.88Å; I281-K283 VanDerWaalsContact C-N 3.33Å; I281-K283 PolarHBondContact O-N 3.24Å; K283-H287 WeakPolarHBondContact O-CB 3.24Å; K283-H287 PolarHBondContact O-N 3.06Å
284A75Confident69Low53 Ų5393.9 Ų93.944%0.43848%0.477SS..Hα-helixtrans-66.8-41178.300000111.4M280 I281 D282 V288M280-A284 WeakPolarHBondContact O-CB 3.43Å; M280-A284 PolarHBondContact O-N 2.78Å; I281-A284 WeakPolarHBondContact O-CB 3.47Å; I281-A284 PolarHBondContact O-N 2.79Å; D282-A284 VanDerWaalsContact C-N 3.34Å; D282-A284 PolarHBondContact O-N 3.47Å; A284-V288 WeakPolarHBondContact O-CG2 3.24Å; A284-V288 PolarHBondContact O-N 2.74Å
285I71.9Confident69.3Low84 Ų8493.7 Ų93.743%0.43149%0.493SS..Hα-helixtrans-63.5-49.8175.1-67170.2000110.2I281 D282 H287 V288 L289I281-I285 HydrophobicContact CG2-CD1 3.69Å; I281-I285 HydrophobicContact CG2-CG1 4.28Å; I281-I285 WeakPolarHBondContact O-CG1 3.41Å; I281-I285 PolarHBondContact O-N 3.49Å; D282-I285 PolarHBondContact O-N 3.11Å; I285-H287 VanDerWaalsContact C-N 3.3Å; I285-H287 PolarHBondContact O-N 3.08Å; I285-V288 WeakPolarHBondContact O-CB 3.42Å; I285-V288 PolarHBondContact O-N 3.24Å; I285-V288 VanDerWaalsContact O-N 3.12Å; I285-L289 HydrophobicContact CG2-CD1 3.88Å; I285-L289 HydrophobicContact CG2-CG 4.34Å; I285-L289 WeakPolarHBondContact O-CG 3.43Å; I285-L289 PolarHBondContact O-N 3.23Å
286D74.9Confident69.1Low106 Ų10694.9 Ų94.957%0.56749%0.487SS*.Hα-helixtrans-59.1-41.2179-77.7-18.4000112.1D282 L289 D290D282-D286 WeakPolarHBondContact O-CB 3.33Å; D282-D286 PolarHBondContact O-N 3.38Å; D286-L289 PolarHBondContact O-N 2.8Å; D286-D290 WeakPolarHBondContact O-CB 3.22Å; D286-D290 PolarHBondContact O-N 3.43Å
287H74.6Confident68.6Low95 Ų9593.1 Ų93.144%0.4449%0.492SS..Hα-helixtrans-66-38.3176.5174-106.7000112.6K283 I285 R291K283-H287 WeakPolarHBondContact O-CB 3.24Å; K283-H287 PolarHBondContact O-N 3.06Å; I285-H287 VanDerWaalsContact C-N 3.3Å; I285-H287 PolarHBondContact O-N 3.08Å; H287-R291 PolarHBondContact CE1-NH1 2.93Å; H287-R291 VanDerWaalsContact CE1-NH1 3.26Å; H287-R291 PolarHBondContact NE2-NH1 3.22Å; H287-R291 WeakPolarHBondContact O-CG 3.33Å; H287-R291 PolarHBondContact O-N 2.95Å
288V71.7Confident68.4Low52 Ų5292.5 Ų92.532%0.31549%0.492SS..Hα-helixtrans-63.4-47.3173.6160.60000110.6A284 I285 R291 I292 I298A284-V288 WeakPolarHBondContact O-CG2 3.24Å; A284-V288 PolarHBondContact O-N 2.74Å; I285-V288 WeakPolarHBondContact O-CB 3.42Å; I285-V288 PolarHBondContact O-N 3.24Å; I285-V288 VanDerWaalsContact O-N 3.12Å; V288-R291 PolarHBondContact O-N 3.36Å; V288-I292 HydrophobicContact CG1-CD1 3.78Å; V288-I292 VanDerWaalsContact O-CG1 3.31Å; V288-I292 WeakPolarHBondContact O-CG1 3.49Å; V288-I292 PolarHBondContact O-N 2.96Å; V288-I298 HydrophobicContact CB-CD1 4.31Å; V288-I298 HydrophobicContact CG1-CD1 3.67Å; V288-I298 HydrophobicContact CG2-CD1 4.22Å
289L68.6Low68Low77 Ų7799.3 Ų99.340%0.40351%0.513SS..Hα-helixtrans-62.5-45.2179-69.6174.2000112I285 D286 R291 I292 H293I285-L289 HydrophobicContact CG2-CD1 3.88Å; I285-L289 HydrophobicContact CG2-CG 4.34Å; I285-L289 WeakPolarHBondContact O-CG 3.43Å; I285-L289 PolarHBondContact O-N 3.23Å; D286-L289 PolarHBondContact O-N 2.8Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 3.38Å; L289-I292 PolarHBondContact O-N 2.93Å; L289-H293 VanDerWaalsContact O-CG 3.27Å; L289-H293 PolarHBondContact O-N 3.04Å; L289-H293 PolarHBondContact O-ND1 3.27Å
290D73Confident67.4Low70 Ų70100 Ų10037%0.37451%0.512SS..Hα-helixtrans-60.4-38.5177.3179.465000112.4D286 K294D286-D290 WeakPolarHBondContact O-CB 3.22Å; D286-D290 PolarHBondContact O-N 3.43Å; D290-K294 WeakPolarHBondContact O-CB 3.19Å; D290-K294 VanDerWaalsContact O-CG 3.31Å; D290-K294 WeakPolarHBondContact O-CG 3.48Å; D290-K294 PolarHBondContact O-N 3.38Å; D290-K294 WeakPolarHBondContact OD1-CE 3.46Å; D290-K294 IonicContact OD1-NZ 2.92Å; D290-K294 PolarHBondContact OD1-NZ 2.79Å; D290-K294 WeakPolarHBondContact OD2-CE 3.46Å; D290-K294 IonicContact OD2-NZ 2.68Å; D290-K294 PolarHBondContact OD2-NZ 3.2Å
291R68.8Low66.5Low74 Ų7496.1 Ų96.128%0.27950%0.503SS..Hα-helixtrans-69.7-41176.2-72.2-176.3104.1120.3-3.4112.7H287 V288 L289 K294 G295 K296 I298H287-R291 PolarHBondContact CE1-NH1 2.93Å; H287-R291 VanDerWaalsContact CE1-NH1 3.26Å; H287-R291 PolarHBondContact NE2-NH1 3.22Å; H287-R291 WeakPolarHBondContact O-CG 3.33Å; H287-R291 PolarHBondContact O-N 2.95Å; V288-R291 PolarHBondContact O-N 3.36Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 3.38Å; R291-K294 CarbonylContact O-C 3.53Å; R291-K294 PolarHBondContact O-N 3.41Å; R291-G295 PolarHBondContact O-N 3.34Å; R291-G295 VanDerWaalsContact O-N 3.14Å; R291-K296 HydrophobicContact CB-CB 4.45Å; R291-K296 PolarHBondContact O-N 2.72Å; R291-I298 HydrophobicContact CB-CG1 4.38Å
292I67.4Low65.7Low99 Ų9998 Ų9851%0.50852%0.52SS..Hα-helixtrans-60.7-46.8174.7-67.9167.3000110V288 L289 K294 G295 I298V288-I292 HydrophobicContact CG1-CD1 3.78Å; V288-I292 VanDerWaalsContact O-CG1 3.31Å; V288-I292 WeakPolarHBondContact O-CG1 3.49Å; V288-I292 PolarHBondContact O-N 2.96Å; L289-I292 PolarHBondContact O-N 2.93Å; I292-K294 VanDerWaalsContact C-N 3.26Å; I292-K294 PolarHBondContact O-N 3.45Å; I292-G295 PolarHBondContact O-N 3.01Å; I292-I298 HydrophobicContact CD1-CD1 4.18Å; I292-I298 HydrophobicContact CG1-CD1 4.03Å
293H63.6Low64.6Low154 Ų15499.5 Ų99.571%0.71353%0.525SS*.Hα-helixtrans-62.7-31.9177.4-67.2136.7000113L289 G295L289-H293 VanDerWaalsContact O-CG 3.27Å; L289-H293 PolarHBondContact O-N 3.04Å; L289-H293 PolarHBondContact O-ND1 3.27Å; H293-G295 VanDerWaalsContact C-N 3.26Å; H293-G295 PolarHBondContact O-N 3.4Å
294K76Confident63.3Low123 Ų12397.4 Ų97.454%0.53552%0.52SS..THydrogen-bonded Turntrans-81.2-0.8174.2-72.1170.6-178.1162.50113.8D290 R291 I292 K296D290-K294 WeakPolarHBondContact O-CB 3.19Å; D290-K294 VanDerWaalsContact O-CG 3.31Å; D290-K294 WeakPolarHBondContact O-CG 3.48Å; D290-K294 PolarHBondContact O-N 3.38Å; D290-K294 WeakPolarHBondContact OD1-CE 3.46Å; D290-K294 IonicContact OD1-NZ 2.92Å; D290-K294 PolarHBondContact OD1-NZ 2.79Å; D290-K294 WeakPolarHBondContact OD2-CE 3.46Å; D290-K294 IonicContact OD2-NZ 2.68Å; D290-K294 PolarHBondContact OD2-NZ 3.2Å; R291-K294 CarbonylContact O-C 3.53Å; R291-K294 PolarHBondContact O-N 3.41Å; I292-K294 VanDerWaalsContact C-N 3.26Å; I292-K294 PolarHBondContact O-N 3.45Å; K294-K296 HydrophobicContact CB-CD 4.48Å; K294-K296 HydrophobicContact CB-CG 4.23Å; K294-K296 PolarHBondContact O-N 3.07Å
295G56.3Low62.2Low71 Ų71100 Ų10073%0.73252%0.523SS*.THydrogen-bonded Turntrans63.725.8-176.200000113.5R291 I292 H293R291-G295 PolarHBondContact O-N 3.34Å; R291-G295 VanDerWaalsContact O-N 3.14Å; I292-G295 PolarHBondContact O-N 3.01Å; H293-G295 VanDerWaalsContact C-N 3.26Å; H293-G295 PolarHBondContact O-N 3.4Å
296K59.3Low61Low128 Ų128101.6 Ų101.656%0.55753%0.529SS*.  trans-96.7133.5178.5-68.9-174.7179.9-178.20110.2R291 K294 I298R291-K296 HydrophobicContact CB-CB 4.45Å; R291-K296 PolarHBondContact O-N 2.72Å; K294-K296 HydrophobicContact CB-CD 4.48Å; K294-K296 HydrophobicContact CB-CG 4.23Å; K294-K296 PolarHBondContact O-N 3.07Å; K296-I298 PolarHBondContact O-N 2.85Å
297D56Low59.6Low150 Ų150104.8 Ų104.880%0.80253%0.533SS*.  trans-60.2137.9172.3-67.3-37.7000111.3
298I57.8Low58.2Low70 Ų70104.1 Ų104.136%0.35953%0.532SS..  trans-83.8115.9173.9-55.8167.8000106.2V288 R291 I292 K296 I300V288-I298 HydrophobicContact CB-CD1 4.31Å; V288-I298 HydrophobicContact CG1-CD1 3.67Å; V288-I298 HydrophobicContact CG2-CD1 4.22Å; R291-I298 HydrophobicContact CB-CG1 4.38Å; I292-I298 HydrophobicContact CD1-CD1 4.18Å; I292-I298 HydrophobicContact CG1-CD1 4.03Å; K296-I298 PolarHBondContact O-N 2.85Å; I298-I300 PolarHBondContact O-N 2.69Å
299K56.8Low57Low188 Ų188104.5 Ų104.582%0.81754%0.537SS*.  trans-65.1105.6169.7-70.7-171.1177.3-171.40107.5G301K299-G301 PolarHBondContact O-N 3.43Å
300I56.7Low55.8Low72 Ų72103.3 Ų103.337%0.36954%0.535SS..  trans-70.6120.3172.3-57.8179.2000106.1I298 L304 Q305 L308I298-I300 PolarHBondContact O-N 2.69Å; I300-L304 HydrophobicContact CG2-CB 3.66Å; I300-L304 HydrophobicContact CG2-CD2 3.56Å; I300-L304 HydrophobicContact CG2-CG 4.21Å; I300-Q305 HydrophobicContact CG2-CB 4Å; I300-L308 HydrophobicContact CD1-CD1 3.94Å; I300-L308 HydrophobicContact CG2-CD1 4.47Å
301G53.8Low54.4Low40 Ų40105.9 Ų105.941%0.41255%0.547SS..  trans-58152175.300000110.8K299 M303 L304 Q305K299-G301 PolarHBondContact O-N 3.43Å; G301-M303 PolarHBondContact O-N 3.16Å; G301-L304 PolarHBondContact O-N 2.9Å; G301-Q305 PolarHBondContact O-N 3.06Å
302P52.2Low53Low112 Ų112108.3 Ų108.373%0.72757%0.566SS**Hα-helixtrans-54.5-33.5-173.520.5-32.1000112.6Q305 E306P302-Q305 PolarHBondContact O-N 2.8Å; P302-E306 WeakPolarHBondContact O-CB 3.18Å; P302-E306 PolarHBondContact O-N 2.82Å
303M47.3Very low51.4Low124 Ų124112.3 Ų112.361%0.61158%0.575SS**Hα-helixtrans-63.7-43.9178.4-130.2-81.5158.600113.2G301 R307G301-M303 PolarHBondContact O-N 3.16Å; M303-R307 PolarHBondContact O-N 2.7Å
304L47.6Very low50Low103 Ų103110.3 Ų110.354%0.53958%0.577SS.*Hα-helixtrans-79.3-30.7179-157139.6000110.6I300 G301 R307 L308I300-L304 HydrophobicContact CG2-CB 3.66Å; I300-L304 HydrophobicContact CG2-CD2 3.56Å; I300-L304 HydrophobicContact CG2-CG 4.21Å; G301-L304 PolarHBondContact O-N 2.9Å; L304-R307 PolarHBondContact O-N 2.81Å; L304-L308 HydrophobicContact CD2-CD1 3.73Å; L304-L308 HydrophobicContact CD2-CG 4.19Å; L304-L308 WeakPolarHBondContact O-CB 3.45Å; L304-L308 VanDerWaalsContact O-CG 3.26Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 3.48Å
305Q51.2Low48.2Very low107 Ų107111.3 Ų111.350%0.559%0.588SS.*Hα-helixtrans-66.2-40.4170.9-171.9149.612.300111.4I300 G301 P302 L308 C309I300-Q305 HydrophobicContact CG2-CB 4Å; G301-Q305 PolarHBondContact O-N 3.06Å; P302-Q305 PolarHBondContact O-N 2.8Å; Q305-L308 PolarHBondContact O-N 2.85Å; Q305-C309 WeakPolarHBondContact O-CB 3.21Å; Q305-C309 PolarHBondContact O-N 2.76Å; Q305-C309 PolarHBondContact O-SG 2.66Å
306E47.6Very low47Very low119 Ų119112.2 Ų112.256%0.55658%0.576SS**Hα-helixtrans-65.4-44.5174.4-170.1174.3-156.300110.6P302 L308 C309 S310P302-E306 WeakPolarHBondContact O-CB 3.18Å; P302-E306 PolarHBondContact O-N 2.82Å; E306-L308 PolarHBondContact O-N 2.92Å; E306-C309 CarbonylContact O-C 3.44Å; E306-C309 PolarHBondContact O-N 2.87Å; E306-S310 WeakPolarHBondContact O-CB 3.43Å; E306-S310 PolarHBondContact O-N 3.23Å; E306-S310 PolarHBondContact O-OG 3.2Å
307R46.3Very low45.7Very low172 Ų172113 Ų11365%0.64959%0.586SS**Hα-helixtrans-59.1-45172.7-81.3-174.6174.2173.30.4112.9M303 L304 C309 S310 I311M303-R307 PolarHBondContact O-N 2.7Å; L304-R307 PolarHBondContact O-N 2.81Å; R307-C309 VanDerWaalsContact C-N 3.35Å; R307-S310 PolarHBondContact O-N 2.79Å; R307-I311 WeakPolarHBondContact O-CD1 3.31Å; R307-I311 VanDerWaalsContact O-CG1 3.24Å; R307-I311 WeakPolarHBondContact O-CG1 3.41Å; R307-I311 PolarHBondContact O-N 3.07Å
308L43.7Very low44.5Very low81 Ų81110.9 Ų110.942%0.42458%0.579SS.*Hα-helixtrans-66.4-36.2177.1-70.7172.7000112.4I300 L304 Q305 E306 N312I300-L308 HydrophobicContact CD1-CD1 3.94Å; I300-L308 HydrophobicContact CG2-CD1 4.47Å; L304-L308 HydrophobicContact CD2-CD1 3.73Å; L304-L308 HydrophobicContact CD2-CG 4.19Å; L304-L308 WeakPolarHBondContact O-CB 3.45Å; L304-L308 VanDerWaalsContact O-CG 3.26Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 3.48Å; Q305-L308 PolarHBondContact O-N 2.85Å; E306-L308 PolarHBondContact O-N 2.92Å; L308-N312 PolarHBondContact O-ND2 3.04Å
309C47.9Very low43.2Very low61 Ų61115.5 Ų115.541%0.41260%0.601SS.*Hα-helixtrans-69.8-37.6172.9-75.40000111.9Q305 E306 R307 N312 R313Q305-C309 WeakPolarHBondContact O-CB 3.21Å; Q305-C309 PolarHBondContact O-N 2.76Å; Q305-C309 PolarHBondContact O-SG 2.66Å; E306-C309 CarbonylContact O-C 3.44Å; E306-C309 PolarHBondContact O-N 2.87Å; R307-C309 VanDerWaalsContact C-N 3.35Å; C309-N312 CarbonylContact O-C 3.48Å; C309-N312 WeakPolarHBondContact O-CA 3.15Å; C309-N312 WeakPolarHBondContact O-CB 3.42Å; C309-N312 PolarHBondContact O-N 2.71Å; C309-N312 VanDerWaalsContact O-N 3.08Å; C309-R313 PolarHBondContact O-N 2.99Å
310S43.2Very low41.8Very low51 Ų51112.4 Ų112.436%0.35759%0.593SS.*Hα-helixtrans-69.7-36.9179.2-70.10000111.9E306 R307 N312 R313 C314E306-S310 WeakPolarHBondContact O-CB 3.43Å; E306-S310 PolarHBondContact O-N 3.23Å; E306-S310 PolarHBondContact O-OG 3.2Å; R307-S310 PolarHBondContact O-N 2.79Å; S310-N312 PolarHBondContact O-N 3.21Å; S310-R313 PolarHBondContact O-N 3.2Å; S310-C314 PolarHBondContact O-N 3.15Å
311I42.7Very low40.5Very low124 Ų124116.1 Ų116.164%0.63661%0.609SS**Hα-helixtrans-58.6-28.4169.6-69.3162.3000111.3R307R307-I311 WeakPolarHBondContact O-CD1 3.31Å; R307-I311 VanDerWaalsContact O-CG1 3.24Å; R307-I311 WeakPolarHBondContact O-CG1 3.41Å; R307-I311 PolarHBondContact O-N 3.07Å
312N39.1Very low39.4Very low125 Ų125120.7 Ų120.767%0.66862%0.622SS**Hα-helixtrans-90.7-11.7172.7-71.8-44.6000114.3L308 C309 S310L308-N312 PolarHBondContact O-ND2 3.04Å; C309-N312 CarbonylContact O-C 3.48Å; C309-N312 WeakPolarHBondContact O-CA 3.15Å; C309-N312 WeakPolarHBondContact O-CB 3.42Å; C309-N312 PolarHBondContact O-N 2.71Å; C309-N312 VanDerWaalsContact O-N 3.08Å; S310-N312 PolarHBondContact O-N 3.21Å
313R34.7Very low38.2Very low184 Ų184122.4 Ų122.469%0.69462%0.621SS**Hα-helixtrans-89.4-16176.7-79.3-173.4-176.2-174.42.8114.1C309 S310 N315 N316C309-R313 PolarHBondContact O-N 2.99Å; S310-R313 PolarHBondContact O-N 3.2Å; R313-N315 PolarHBondContact O-N 3.4Å; R313-N316 PolarHBondContact O-N 3.28Å; R313-N316 VanDerWaalsContact O-N 3.08Å
314C34.5Very low37.5Very low112 Ų112123.1 Ų123.176%0.75763%0.626SS**THydrogen-bonded Turntrans-62.91.4177.4-75.50000115.5S310S310-C314 PolarHBondContact O-N 3.15Å
315N36.7Very low36.6Very low144 Ų144122.5 Ų122.577%0.7763%0.631SS**THydrogen-bonded Turntrans-109.90.9172.6-95.723.4000115.7R313R313-N315 PolarHBondContact O-N 3.4Å
316N32.7Very low35.7Very low90 Ų90124 Ų12448%0.48164%0.642SS.*  trans-138.494.9170.9-77.658.6000107.6R313R313-N316 PolarHBondContact O-N 3.28Å; R313-N316 VanDerWaalsContact O-N 3.08Å
317N31Very low34.8Very low143 Ų143125.4 Ų125.477%0.76565%0.649SS**  trans-162.1112.1130.4-89-10000107.1M319N317-M319 PolarHBondContact O-N 3.18Å; N317-M319 VanDerWaalsContact O-N 3.12Å
318T31.1Very low34.1Very low107 Ų107122.8 Ų122.866%0.65665%0.651SS**  -2.7104.8127.2-34.30000110.3D320T318-D320 WeakPolarHBondContact CG2-OD1 3.13Å; T318-D320 PolarHBondContact O-N 2.93Å
319M30.1Very low33.5Very low167 Ų167125 Ų12582%0.82366%0.663SS**  trans-67.370.8161.1-75.3-73.4170.800106.4N317 H321N317-M319 PolarHBondContact O-N 3.18Å; N317-M319 VanDerWaalsContact O-N 3.12Å; M319-H321 PolarHBondContact O-N 3.08Å
320D28.7Very low32.6Very low122 Ų122129 Ų12965%0.65268%0.678SS**  trans-68.694.7156.4-74.3-33.6000104.7T318 I322T318-D320 WeakPolarHBondContact CG2-OD1 3.13Å; T318-D320 PolarHBondContact O-N 2.93Å; D320-I322 PolarHBondContact O-N 3.29Å
321H28.4Very low31.9Very low151 Ų151133.9 Ų133.970%0.69970%0.7SS**  trans37.671.9153.7-65.6-88.4000115.2M319 E323M319-H321 PolarHBondContact O-N 3.08Å; H321-E323 PolarHBondContact O-N 2.7Å
322I31.5Very low31.6Very low135 Ų135135.4 Ų135.469%0.69271%0.709SS**  trans-8482.2142-59.1171.3000104.8D320 L324D320-I322 PolarHBondContact O-N 3.29Å; I322-L324 HydrophobicContact CG2-CD1 4.38Å; I322-L324 HydrophobicContact CG2-CG 4.02Å; I322-L324 PolarHBondContact O-N 2.81Å
323E26.9Very low31.2Very low148 Ų148137.9 Ų137.969%0.69272%0.717SS**  trans-58.889.2159.3-77.2179.5168.100107.5H321 S325H321-E323 PolarHBondContact O-N 2.7Å; E323-S325 PolarHBondContact O-N 3.43Å
324L32.9Very low31.1Very low139 Ų139132.5 Ų132.573%0.72872%0.718SS**  trans-77.466.9150.4-76.1163.2000106.8I322 N326I322-L324 HydrophobicContact CG2-CD1 4.38Å; I322-L324 HydrophobicContact CG2-CG 4.02Å; I322-L324 PolarHBondContact O-N 2.81Å; L324-N326 PolarHBondContact O-N 3.24Å
325S28.4Very low31Very low91 Ų91134.4 Ų134.464%0.63672%0.721SS**  trans-65.479.4159-87.60000107.8E323 H327E323-S325 PolarHBondContact O-N 3.43Å; S325-H327 VanDerWaalsContact C-N 3.31Å
326N30.8Very low30.6Very low139 Ų139134.8 Ų134.874%0.74372%0.723SS**  trans-102.636.5159-74.1-9.1000109.4L324 V328L324-N326 PolarHBondContact O-N 3.24Å; N326-V328 PolarHBondContact O-N 3.4Å
327H29.1Very low31Very low148 Ų148137.2 Ų137.269%0.68574%0.741SS**  trans-86.294.4161.6-144.5-59.9000107S325 D329S325-H327 VanDerWaalsContact C-N 3.31Å; H327-D329 IonicContact CE1-OD1 2.75Å; H327-D329 PolarHBondContact CE1-OD1 2.99Å; H327-D329 IonicContact CE1-OD2 2.87Å; H327-D329 IonicContact CG-OD2 3.01Å; H327-D329 IonicContact ND1-OD1 2.85Å; H327-D329 PolarHBondContact ND1-OD1 3.4Å; H327-D329 IonicContact ND1-OD2 3.31Å; H327-D329 PolarHBondContact ND1-OD2 3.01Å; H327-D329 PolarHBondContact O-N 3.22Å
328V31.5Very low31Very low116 Ų116137.3 Ų137.370%0.70374%0.741SS**  trans-72.384165.4-179.80000105.7N326 M330N326-V328 PolarHBondContact O-N 3.4Å; V328-M330 HydrophobicContact CG1-CG 4.18Å; V328-M330 PolarHBondContact O-N 2.93Å
329D31.2Very low30.8Very low127 Ų127139.5 Ų139.568%0.67975%0.749SS**  trans-82.298.5162.2-79.2-28.6000107.5H327H327-D329 IonicContact CE1-OD1 2.75Å; H327-D329 PolarHBondContact CE1-OD1 2.99Å; H327-D329 IonicContact CE1-OD2 2.87Å; H327-D329 IonicContact CG-OD2 3.01Å; H327-D329 IonicContact ND1-OD1 2.85Å; H327-D329 PolarHBondContact ND1-OD1 3.4Å; H327-D329 IonicContact ND1-OD2 3.31Å; H327-D329 PolarHBondContact ND1-OD2 3.01Å; H327-D329 PolarHBondContact O-N 3.22Å
330M29.3Very low30.7Very low146 Ų146135.7 Ų135.772%0.71974%0.744SS**  trans-68.4141.7155.9-66.6-71.2-144.400107.9V328V328-M330 HydrophobicContact CG1-CG 4.18Å; V328-M330 PolarHBondContact O-N 2.93Å
331D29.9Very low30.9Very low154 Ų154137.3 Ų137.382%0.82475%0.753SS**  trans77.699167.3-44.1-32.2000114.9
332D35.6Very low30.9Very low155 Ų155138.5 Ų138.583%0.82976%0.763SS**  -179.4150.785.4-157.55.1000110.9
333E31.5Very low30.7Very low178 Ų178137.4 Ų137.483%0.83276%0.763SS**  trans-46.7148.1-177.7-65.4-85.6168.300116
334G31.1Very low30.8Very low70 Ų70136.3 Ų136.372%0.72277%0.767SS**  trans158.682.7162.200000117.2
335D32.5Very low30.6Very low153 Ų153141.3 Ų141.382%0.81878%0.778SS**  trans44.2112.9139.6-61.8-22.7000121.9
336D29.5Very low30.6Very low152 Ų152143.5 Ų143.581%0.81378%0.782SS**  trans33109.3131.2-93.3-23.4000119.4
337V39.5Very low30.4Very low141 Ų141143.3 Ų143.386%0.85578%0.781SS**  -163.9104.8125.9-960000112.3
338N30.9Very low30.4Very low144 Ų144142.7 Ų142.777%0.7778%0.783SS**  trans33.8107140.3-71-39.8000121.2
339D27.8Very low30.4Very low153 Ų153144.8 Ų144.882%0.81879%0.79SS**  35.7123.8117-84.7-20.7000121.6
340A29Very low30.3Very low87 Ų87143.7 Ų143.772%0.71979%0.788SS**  67.889129.800000119.5
341N31.9Very low30.3Very low157 Ų157142.4 Ų142.484%0.8479%0.788SS**  -167.177.2126.6-119.1-40.2000111.9
342L27.4Very low30.1Very low175 Ų175144.8 Ų144.892%0.91679%0.787SS**  trans-113.372.1166.7-166.673.2000109.1
343T27.9Very low29.7Very low112 Ų112143.7 Ų143.769%0.68778%0.781SS**  trans-143.6126.7158.734.70000109.6
344T28.5Very low29.5Very low125 Ų125146.3 Ų146.377%0.76778%0.783SS**  trans86.369163.1-33.50000115.9
345Y30.4Very low29.6Very low245 Ų245149.3 Ų149.396%0.96178%0.783SS**  trans-103.8105.1142.3-96.1-84.7000110.3
346N27.6Very low29.5Very low137 Ų137149.2 Ų149.273%0.73378%0.778SS**  trans-48.9135.7175.4-164.610.1000112.6N348N346-N348 PolarHBondContact O-N 2.98Å
347N26.2Very low29.4Very low134 Ų134150.3 Ų150.372%0.71778%0.777SS**SBendtrans-46.5131.6160.9-80.7-31.2000110.5
348N30Very low28.9Very low136 Ų136150.1 Ų150.173%0.72777%0.771SS**  trans156.327.8139.8-77.2-7.9000115.8N346 V350N346-N348 PolarHBondContact O-N 2.98Å; N348-V350 PolarHBondContact O-N 3.25Å
349N29.7Very low29.1Very low159 Ų159149.7 Ų149.785%0.8577%0.768SS**  trans-89.567.9158.3-94.816.8000110.8V351N349-V351 PolarHBondContact O-N 2.73Å
350V30.7Very low29.3Very low104 Ų104147.8 Ų147.863%0.6376%0.758SS**  trans-7777.8158-177.30000106.7N348 Y352N348-V350 PolarHBondContact O-N 3.25Å; V350-Y352 HydrophobicContact CG1-CD2 4.24Å; V350-Y352 HydrophobicContact CG1-CE2 3.94Å; V350-Y352 PolarHBondContact O-N 2.72Å
351V28.6Very low29.5Very low119 Ų119148.6 Ų148.672%0.72175%0.754SS**  trans-81.5107.3165.3178.60000106.1N349 D353N349-V351 PolarHBondContact O-N 2.73Å; V351-D353 PolarHBondContact O-N 3.43Å
352Y24.8Very low29.7Very low205 Ų205148.3 Ų148.380%0.80475%0.745SS**  trans-61.196.4175.9-72.8-93.2000109.9V350 R354V350-Y352 HydrophobicContact CG1-CD2 4.24Å; V350-Y352 HydrophobicContact CG1-CE2 3.94Å; V350-Y352 PolarHBondContact O-N 2.72Å; Y352-R354 PolarHBondContact O-N 2.72Å
353D27.6Very low30.2Very low132 Ų132145.4 Ų145.471%0.70674%0.737SS**  trans-77.4111.2166.5-159.5-9.3000109V351 N355V351-D353 PolarHBondContact O-N 3.43Å; D353-N355 PolarHBondContact O-N 2.83Å; D353-N355 VanDerWaalsContact O-N 3.14Å
354R28.8Very low30.7Very low233 Ų233148.4 Ų148.488%0.87974%0.741SS**THydrogen-bonded Turntrans-76.25.3-164.9-172.2167.8176.4148.6-0.5113.6Y352Y352-R354 PolarHBondContact O-N 2.72Å
355N32.3Very low31.1Very low133 Ų133151 Ų15171%0.71174%0.741SS**THydrogen-bonded Turntrans-131.425.5-166.9-71.2-23.1000116.5D353D353-N355 PolarHBondContact O-N 2.83Å; D353-N355 VanDerWaalsContact O-N 3.14Å
356Q29.6Very low31.2Very low151 Ų151145.7 Ų145.771%0.70673%0.73SS**  trans-107.4102.6167.6-71-83.35.400109.9N358Q356-N358 PolarHBondContact O-N 2.96Å
357H29.1Very low31.5Very low174 Ų174146.6 Ų146.681%0.80673%0.733SS**  trans-57.572158.4-78.4-85.6000110L359H357-L359 PolarHBondContact O-N 2.73Å
358N28.2Very low31.8Very low137 Ų137144.9 Ų144.973%0.73373%0.728SS**  trans-80.563.7162.7-93.2-50.8000108.7Q356 N360Q356-N358 PolarHBondContact O-N 2.96Å; N358-N360 PolarHBondContact O-N 2.77Å
359L34.5Very low31.9Very low135 Ų135142.2 Ų142.271%0.70772%0.724SS**  trans-69.982.3152.8-80.3168.7000105.8H357 V361H357-L359 PolarHBondContact O-N 2.73Å; L359-V361 HydrophobicContact CB-CG2 3.89Å; L359-V361 HydrophobicContact CD2-CG2 4Å; L359-V361 HydrophobicContact CG-CG2 4.47Å; L359-V361 PolarHBondContact O-N 3.03Å
360N32.8Very low31.9Very low113 Ų113139.2 Ų139.260%0.60471%0.708SS**  trans-64.261.2160-170.9-12000108.1N358 K362N358-N360 PolarHBondContact O-N 2.77Å; N360-K362 VanDerWaalsContact C-N 3.31Å; N360-K362 PolarHBondContact O-N 3.28Å
361V31.9Very low31.6Very low105 Ų105137 Ų13764%0.63670%0.697SS**  trans-88.387.4170.9179.60000103.7L359L359-V361 HydrophobicContact CB-CG2 3.89Å; L359-V361 HydrophobicContact CD2-CG2 4Å; L359-V361 HydrophobicContact CG-CG2 4.47Å; L359-V361 PolarHBondContact O-N 3.03Å
362K36.6Very low32Very low150 Ų150134.2 Ų134.265%0.65268%0.681SS**  trans-36.1132.7161.2-70.6176.6176.11780108.5N360 K364N360-K362 VanDerWaalsContact C-N 3.31Å; N360-K362 PolarHBondContact O-N 3.28Å; K362-K364 VanDerWaalsContact C-N 3.33Å; K362-K364 PolarHBondContact O-N 3.48Å
363P37.6Very low32Very low114 Ų114129.2 Ų129.274%0.7468%0.675SS**  trans-60.5104.8168.523.9-29.6000106.5K365P363-K365 PolarHBondContact O-N 3.01Å
364K38.4Very low32Very low175 Ų175128.9 Ų128.976%0.76168%0.677SS**  trans-56.6111.4165.3-77.8-179.9177.6175.20104.2K362 N366K362-K364 VanDerWaalsContact C-N 3.33Å; K362-K364 PolarHBondContact O-N 3.48Å; K364-N366 PolarHBondContact O-N 2.87Å
365K38Very low31.8Very low180 Ų180122.1 Ų122.178%0.78367%0.666SS**  trans-54.5101.7159-58179-175.2179.60103.6P363 L367P363-K365 PolarHBondContact O-N 3.01Å; K365-L367 PolarHBondContact O-N 3.23Å
366N32.7Very low31.6Very low134 Ų134123.8 Ų123.872%0.71767%0.667SS**  trans-69.683.5176.1-74-30.3000105.3K364 V368K364-N366 PolarHBondContact O-N 2.87Å; N366-V368 HydrophobicContact CB-CG2 4.29Å; N366-V368 PolarHBondContact O-N 3.45Å
367L34.2Very low31.4Very low155 Ų155124.7 Ų124.781%0.81267%0.673SS**  trans-6489.1160-71.4170.7000105K365 A369K365-L367 PolarHBondContact O-N 3.23Å; L367-A369 PolarHBondContact O-N 3.23Å
368V30.8Very low31.2Very low98 Ų98123.6 Ų123.659%0.59467%0.67SS**  trans-73.888.2168.7-175.90000105.6N366 I370N366-V368 HydrophobicContact CB-CG2 4.29Å; N366-V368 PolarHBondContact O-N 3.45Å; V368-I370 VanDerWaalsContact C-N 3.32Å; V368-I370 HydrophobicContact CG1-CG1 3.75Å; V368-I370 PolarHBondContact O-N 2.88Å
369A32Very low31Very low80 Ų80125.4 Ų125.466%0.66167%0.672SS**  trans-67.798.2162.900000106.8L367 S371L367-A369 PolarHBondContact O-N 3.23Å; A369-S371 PolarHBondContact O-N 3.12Å
370I30.5Very low30.7Very low97 Ų97124.1 Ų124.150%0.49767%0.672SS.*  trans-73.879.4170.1-52.6176.4000106.9L23 V368 P372L23-I370 HydrophobicContact CD1-CD1 4.14Å; V368-I370 VanDerWaalsContact C-N 3.32Å; V368-I370 HydrophobicContact CG1-CG1 3.75Å; V368-I370 PolarHBondContact O-N 2.88Å; I370-P372 WeakPolarHBondContact O-CD 3.42Å
371S25Very low30.4Very low58 Ų58125.1 Ų125.141%0.40668%0.681SS.*  trans-80.2118.9163.5161.50000107.7A369 C373A369-S371 PolarHBondContact O-N 3.12Å; S371-C373 PolarHBondContact O-N 3.22Å; S371-C373 PolarHBondContact OG-N 3.2Å
372P36.2Very low30.1Very low60 Ų60128.6 Ų128.639%0.3969%0.69SS.*SBendtrans-81.558.3171.734.8-32.2000109.2M1 I370M1-P372 HydrophobicContact CB-CG 4.23Å; M1-P372 HydrophobicContact CE-CB 3.81Å; M1-P372 HydrophobicContact SD-CB 4.09Å; I370-P372 WeakPolarHBondContact O-CD 3.42Å
373C26.3Very low29.7Very low100 Ų100126 Ų12668%0.67669%0.692SS**  trans-175.154.2169-96.70000110.6S371 S375S371-C373 PolarHBondContact O-N 3.22Å; S371-C373 PolarHBondContact OG-N 3.2Å; C373-S375 PolarHBondContact O-N 2.91Å
374V27.1Very low29.2Very low125 Ų125126.2 Ų126.276%0.75870%0.695SS**  trans-88.174.9145.1-170.20000105.9F376V374-F376 PolarHBondContact O-N 3.45Å
375S24.3Very low28.6Very low91 Ų91122.5 Ų122.564%0.63670%0.697SS**  trans-60.6109160.7-53.10000105.5C373 M377C373-S375 PolarHBondContact O-N 2.91Å; S375-M377 VanDerWaalsContact C-N 3.27Å; S375-M377 PolarHBondContact O-N 3.5Å
376F28.7Very low27.9Very low168 Ų168120.1 Ų120.174%0.73770%0.698SS**  trans-59.3102.2160.547.6-85.5000105.6V374 M378V374-F376 PolarHBondContact O-N 3.45Å; F376-M378 HydrophobicContact CD2-CG 4.2Å; F376-M378 PolarHBondContact O-N 3.46Å
377M23.9Very low27.7Very low169 Ų169119.5 Ų119.583%0.83370%0.7SS**  trans-65.190.5152.2-97.4173.558.200104.6S375 K379S375-M377 VanDerWaalsContact C-N 3.27Å; S375-M377 PolarHBondContact O-N 3.5Å; M377-K379 PolarHBondContact O-N 3.08Å
378M24.6Very low27.3Very low151 Ų151117.7 Ų117.774%0.74470%0.695SS**  trans-51104.4151-94.8173.763.200104.5F376 P380F376-M378 HydrophobicContact CD2-CG 4.2Å; F376-M378 PolarHBondContact O-N 3.46Å; M378-P380 WeakPolarHBondContact O-CD 3.47Å; M378-P380 VanDerWaalsContact O-N 3.1Å
379K25Very low26.9Very low176 Ų176118.8 Ų118.877%0.76570%0.702SS**  trans-50.9123.5164.9-73.9-177.3176.6178.30104.7M377 V381M377-K379 PolarHBondContact O-N 3.08Å; K379-V381 PolarHBondContact O-N 3.39Å
380P28.3Very low26.5Very low108 Ų108121 Ų12170%0.70171%0.707SS**  trans-53.6124.1170.420.3-28.3000105.7M378 Q382M378-P380 WeakPolarHBondContact O-CD 3.47Å; M378-P380 VanDerWaalsContact O-N 3.1Å; P380-Q382 PolarHBondContact O-N 2.87Å
381V25.9Very low26.1Very low133 Ų133121.9 Ų121.981%0.80672%0.718SS**  trans-60.689.7166.7175.30000104.2K379 S383K379-V381 PolarHBondContact O-N 3.39Å; V381-S383 PolarHBondContact O-N 2.75Å
382Q26.4Very low26.2Very low178 Ų178125.3 Ų125.383%0.83274%0.736SS**  trans-68.291.9162.2-83.7-173.6-25.600104.4P380 S384P380-Q382 PolarHBondContact O-N 2.87Å; Q382-S384 PolarHBondContact O-N 2.99Å; Q382-S384 VanDerWaalsContact O-N 3.16Å
383S28.7Very low25.6Very low97 Ų97128.4 Ų128.468%0.67875%0.754SS**  trans-36.5120.4156.738.50000108.2V381 A385V381-S383 PolarHBondContact O-N 2.75Å; S383-A385 PolarHBondContact O-N 2.91Å
384S25.4Very low25.7Very low117 Ų117128.8 Ų128.882%0.81876%0.758SS**  trans-40.3103.1171.347.40000111.1Q382Q382-S384 PolarHBondContact O-N 2.99Å; Q382-S384 VanDerWaalsContact O-N 3.16Å
385A27.7Very low25.6Very low97 Ų97127.7 Ų127.780%0.80276%0.756SS**  trans-114.390.4155.900000106.4S383 T387S383-A385 PolarHBondContact O-N 2.91Å; A385-T387 PolarHBondContact O-N 3.12Å
386T23Very low25.8Very low131 Ų131128.9 Ų128.980%0.80476%0.764SS**  trans-47.8128.3156.6-42.40000107.9
387T27Very low25.8Very low121 Ų121126.4 Ų126.474%0.74277%0.768SS**  trans170.3112.2135.7-64.80000110.8A385A385-T387 PolarHBondContact O-N 3.12Å
388T25.6Very low26Very low116 Ų116121.5 Ų121.571%0.71276%0.76SS**  trans66.1107.4141.5-44.60000121
389T22.7Very low26.3Very low122 Ų122121.5 Ų121.575%0.74876%0.763SS**  trans-22.7124145.6-30.90000114.9
390T24.7Very low26.5Very low126 Ų126121.2 Ų121.277%0.77377%0.77SS**  trans-139.9111.8149.1-40.60000109.3
391T22.4Very low26.8Very low116 Ų116123.4 Ų123.471%0.71277%0.774SS**  trans-66.2128.8170.8-33.70000109
392T26.2Very low26.9Very low130 Ų130127 Ų12780%0.79878%0.779SS**  trans-139.4101.7159.7-15.50000109.5
393T22.9Very low27.2Very low125 Ų125126.1 Ų126.177%0.76778%0.779SS**  trans-74.9125.2165.131.60000111
394S28.3Very low27.2Very low108 Ų108128.3 Ų128.376%0.75578%0.784SS**  trans163.5138.2151.646.40000107
395S26.2Very low27.3Very low101 Ų101129 Ų12971%0.70678%0.783SS**  cis-178.2135.61.541.50000105.8
396S27.5Very low27.6Very low116 Ų116129.9 Ų129.981%0.81178%0.779SS**  trans27.9116.5144.656.40000120.2
397S29.9Very low28.1Very low117 Ų117130.7 Ų130.782%0.81878%0.778SS**  trans-150.3106.6130-164.70000109.4
398G26.7Very low28.2Very low65 Ų65132.4 Ų132.467%0.6778%0.783SS**  trans-86.2136.4176.200000111
399N32.1Very low28.4Very low151 Ų151138.1 Ų138.181%0.80779%0.791SS**  trans-117.395.5161-80.1-15.9000108.1I401N399-I401 PolarHBondContact O-N 3.31Å
400N28.9Very low29.1Very low170 Ų170140.8 Ų140.891%0.90979%0.792SS**  trans-72.3101.2170.9-86.7-39.5000109.3
401I34.8Very low29.6Very low155 Ų155144 Ų14480%0.79580%0.798SS**  trans-91.6106.9165.2-60.7178.5000107.7N399 L403N399-I401 PolarHBondContact O-N 3.31Å; I401-L403 PolarHBondContact O-N 3.47Å
402K26.9Very low30.1Very low207 Ų207147.2 Ų147.290%0.981%0.805SS**  trans-68.7101.2-179.6-150.1176.8-171.8-178.70109.2N404K402-N404 PolarHBondContact O-N 3.01Å
403L33.9Very low30.6Very low161 Ų161146.6 Ų146.684%0.84380%0.796SS**  trans-71.3119.5171.8-96.1145000109.4I401 T405I401-L403 PolarHBondContact O-N 3.47Å; L403-T405 PolarHBondContact O-N 2.98Å
404N28Very low31.1Very low143 Ų143143.6 Ų143.677%0.76578%0.781SS**  trans-77.3118.2-175-156.43.3000110.1K402 T406K402-N404 PolarHBondContact O-N 3.01Å; N404-T406 PolarHBondContact O-N 2.76Å
405T28.5Very low31.8Very low131 Ų131143.4 Ų143.480%0.80478%0.775SS**  trans-82.690.1-178.7-370000110L403L403-T405 PolarHBondContact O-N 2.98Å
406T33.6Very low32.8Very low116 Ų116145 Ų14571%0.71277%0.771SS**  trans-106.197.5169.230.20000111.7N404N404-T406 PolarHBondContact O-N 2.76Å
407N32.5Very low33.7Very low148 Ų148143 Ų14379%0.79175%0.751SS**  trans45.286.5144.1-62.3-19.8000119.2R409N407-R409 PolarHBondContact O-N 2.83Å
408N30.5Very low34.2Very low157 Ų157144.7 Ų144.784%0.8474%0.741SS**  trans-65.286.6156.3-76.1-42.3000111.3K410N408-K410 PolarHBondContact O-N 2.74Å
409R29.7Very low35.1Very low235 Ų235148.3 Ų148.389%0.88774%0.74SS**  trans-84.290.7152.4-96.3-174.2-175.7173.31.7107.6N407 H411N407-R409 PolarHBondContact O-N 2.83Å; R409-H411 PolarHBondContact O-N 2.8Å
410K37.6Very low36.1Very low179 Ų179147.1 Ų147.178%0.77873%0.73SS**  trans-58.4118.3165.7-67.9178.3178.1178.70106.9N408 Q412N408-K410 PolarHBondContact O-N 2.74Å; K410-Q412 PolarHBondContact O-N 2.69Å
411H35.2Very low36.7Very low192 Ų192144.2 Ų144.289%0.88971%0.714SS**  trans-58.1101.1166-78.4-89.2000107.7R409R409-H411 PolarHBondContact O-N 2.8Å
412Q33Very low37.1Very low185 Ų185142.4 Ų142.486%0.86470%0.702SS**PPolyproline II helixtrans-71.2126.2158-71.2-173.32000106.1K410K410-Q412 PolarHBondContact O-N 2.69Å
413L35Very low37.9Very low117 Ų117134.9 Ų134.961%0.61368%0.679SS**PPolyproline II helixtrans-60.3137.9167.2-75.9153.7000107.9D417L413-D417 HydrophobicContact CD2-CB 4.49Å
414S34.7Very low38.7Very low62 Ų62132.2 Ų132.243%0.43467%0.669SS.*PPolyproline II helixtrans-65.7148.7177.243.70000110.3E416 D417S414-E416 PolarHBondContact O-N 3.21Å; S414-E416 VanDerWaalsContact O-N 3.09Å; S414-D417 PolarHBondContact O-N 3.28Å
415T43.6Very low39.5Very low104 Ų104129.5 Ų129.564%0.63865%0.654SS**Hα-helixtrans-51.6-33.4-177.6-30.30000112.6D417 Y418 E419T415-D417 VanDerWaalsContact C-N 3.34Å; T415-D417 PolarHBondContact O-N 2.74Å; T415-Y418 WeakPolarHBondContact O-CB 3.41Å; T415-Y418 PolarHBondContact O-N 3.48Å; T415-Y418 VanDerWaalsContact O-N 3.1Å; T415-E419 PolarHBondContact O-N 2.69Å
416E46.5Very low40Very low134 Ų134130 Ų13063%0.62665%0.647SS**Hα-helixtrans-61.3-35.1176.2-74.473.3-162.300113.9S414 Y418 E420S414-E416 PolarHBondContact O-N 3.21Å; S414-E416 VanDerWaalsContact O-N 3.09Å; E416-Y418 PolarHBondContact O-N 3.2Å; E416-E420 PolarHBondContact O-N 2.75Å
417D45.2Very low40.3Very low74 Ų74131.2 Ų131.240%0.39665%0.649SS.*Hα-helixtrans-73.3-20.4177.8-67.3-22.9000111.4L413 S414 T415 L421L413-D417 HydrophobicContact CD2-CB 4.49Å; S414-D417 PolarHBondContact O-N 3.28Å; T415-D417 VanDerWaalsContact C-N 3.34Å; T415-D417 PolarHBondContact O-N 2.74Å; D417-L421 WeakPolarHBondContact O-CG 3.48Å
418Y42.2Very low40.5Very low153 Ų153130 Ų13060%0.664%0.643SS**Hα-helixtrans-80.8-40.6178.7-108.2-88.7000112.2T415 E416 L421 E422T415-Y418 WeakPolarHBondContact O-CB 3.41Å; T415-Y418 PolarHBondContact O-N 3.48Å; T415-Y418 VanDerWaalsContact O-N 3.1Å; E416-Y418 PolarHBondContact O-N 3.2Å; Y418-L421 PolarHBondContact O-N 3.31Å; Y418-E422 PolarHBondContact O-N 3.04Å
419E44.7Very low40.8Very low141 Ų141128.1 Ų128.166%0.65965%0.649SS**Hα-helixtrans-67.9-34.2177.5-77.9-176.2167.300112.4T415 L421 E422 A423T415-E419 PolarHBondContact O-N 2.69Å; E419-L421 VanDerWaalsContact C-N 3.3Å; E419-L421 PolarHBondContact O-N 2.93Å; E419-E422 PolarHBondContact O-N 2.78Å; E419-A423 PolarHBondContact O-N 3.12Å; E419-A423 VanDerWaalsContact O-N 3.07Å
420E52.9Low41.2Very low126 Ų126120.2 Ų120.259%0.58964%0.64SS**Hα-helixtrans-67.4-30.9177.5-161.6173.1-164.900112E416 V424E416-E420 PolarHBondContact O-N 2.75Å; E420-V424 WeakPolarHBondContact O-CG2 3.48Å; E420-V424 PolarHBondContact O-N 3.14Å
421L42Very low41.2Very low109 Ų109115.4 Ų115.457%0.57163%0.626SS**Hα-helixtrans-69.6-35.7174.5-72.5169.4000112.7D417 Y418 E419 L425D417-L421 WeakPolarHBondContact O-CG 3.48Å; Y418-L421 PolarHBondContact O-N 3.31Å; E419-L421 VanDerWaalsContact C-N 3.3Å; E419-L421 PolarHBondContact O-N 2.93Å; L421-L425 WeakPolarHBondContact O-CD1 3.4Å; L421-L425 WeakPolarHBondContact O-CG 3.02Å; L421-L425 PolarHBondContact O-N 3.21Å
422E43.1Very low41Very low116 Ų116111.8 Ų111.854%0.54262%0.622SS.*Hα-helixtrans-71.3-38.7174.6-73.7-164.9175.300112Y418 E419 V424 L425 Q426Y418-E422 PolarHBondContact O-N 3.04Å; E419-E422 PolarHBondContact O-N 2.78Å; E422-V424 VanDerWaalsContact C-N 3.32Å; E422-V424 PolarHBondContact O-N 3.4Å; E422-L425 PolarHBondContact O-N 3.48Å; E422-Q426 WeakPolarHBondContact O-CG 3.28Å; E422-Q426 PolarHBondContact O-N 2.94Å
423A43.9Very low40.9Very low50 Ų50107.9 Ų107.941%0.41362%0.616SS.*Hα-helixtrans-65.2-33.5179.300000113.1E419 N427E419-A423 PolarHBondContact O-N 3.12Å; E419-A423 VanDerWaalsContact O-N 3.07Å; A423-N427 PolarHBondContact O-ND2 3.06Å
424V50.3Low40.8Very low105 Ų105106.5 Ų106.564%0.63661%0.608SS**Hα-helixtrans-73.7-34175.71760000111.5E420 E422E420-V424 WeakPolarHBondContact O-CG2 3.48Å; E420-V424 PolarHBondContact O-N 3.14Å; E422-V424 VanDerWaalsContact C-N 3.32Å; E422-V424 PolarHBondContact O-N 3.4Å
425L44.5Very low40.3Very low86 Ų86111.9 Ų111.945%0.4563%0.626SS.*Hα-helixtrans-79-27.6-179.2-76.3166.5000113.7L421 E422 N427 D428L421-L425 WeakPolarHBondContact O-CD1 3.4Å; L421-L425 WeakPolarHBondContact O-CG 3.02Å; L421-L425 PolarHBondContact O-N 3.21Å; E422-L425 PolarHBondContact O-N 3.48Å; L425-N427 VanDerWaalsContact C-N 3.3Å; L425-N427 PolarHBondContact O-N 3.14Å; L425-D428 PolarHBondContact O-N 2.91Å
426Q39.6Very low39.6Very low140 Ų140115.2 Ų115.265%0.65463%0.628SS**THydrogen-bonded Turntrans-75.3-15.1178.2-77.9163.25.700114.1E422 D428E422-Q426 WeakPolarHBondContact O-CG 3.28Å; E422-Q426 PolarHBondContact O-N 2.94Å; Q426-D428 VanDerWaalsContact C-N 3.26Å; Q426-D428 PolarHBondContact O-N 2.99Å
427N40.4Very low38.7Very low142 Ų142114 Ų11476%0.75963%0.634SS**THydrogen-bonded Turntrans-79.6-4.7175.8-76.3-37.3000113.8A423 L425A423-N427 PolarHBondContact O-ND2 3.06Å; L425-N427 VanDerWaalsContact C-N 3.3Å; L425-N427 PolarHBondContact O-N 3.14Å
428D35.3Very low38Very low123 Ų123117.5 Ų117.566%0.65865%0.653SS**SBendtrans-95.5110.7166.5-107.2-30000109.2L425 Q426 G430 V431L425-D428 PolarHBondContact O-N 2.91Å; Q426-D428 VanDerWaalsContact C-N 3.26Å; Q426-D428 PolarHBondContact O-N 2.99Å; D428-G430 PolarHBondContact O-N 3.23Å; D428-V431 HydrophobicContact CB-CG2 4.35Å; D428-V431 PolarHBondContact O-N 3.28Å
429A38.5Very low37.5Very low117 Ų117117.1 Ų117.197%0.96766%0.661SS**THydrogen-bonded Turntrans-66.122-174.200000115.3
430G37.7Very low36.9Very low69 Ų69116.5 Ų116.571%0.71167%0.667SS**THydrogen-bonded Turntrans-124.5-0.4-178.300000116D428D428-G430 PolarHBondContact O-N 3.23Å
431V36.3Very low35.9Very low79 Ų79116.1 Ų116.148%0.47967%0.673SS.*  trans-105.788.8-170.7-163.70000111.4D428 S433 I434D428-V431 HydrophobicContact CB-CG2 4.35Å; D428-V431 PolarHBondContact O-N 3.28Å; V431-S433 PolarHBondContact O-N 3.42Å; V431-I434 HydrophobicContact CG1-CD1 4.2Å; V431-I434 HydrophobicContact CG1-CG1 4.16Å
432S31.4Very low35.4Very low115 Ų115117.6 Ų117.680%0.80468%0.682SS**  trans-74.3115.6166.153.70000110.2
433S32.2Very low34.7Very low104 Ų104122.9 Ų122.973%0.72770%0.699SS**  trans37.4100.9159.4-165.60000118V431 H435V431-S433 PolarHBondContact O-N 3.42Å; S433-H435 PolarHBondContact O-N 3.03Å
434I31.1Very low34Very low87 Ų87126.9 Ų126.945%0.44671%0.712SS.*  trans-84.2106.9171.6-56.8173.3000109.2V431 Y436V431-I434 HydrophobicContact CG1-CD1 4.2Å; V431-I434 HydrophobicContact CG1-CG1 4.16Å; I434-Y436 HydrophobicContact CB-CE2 4.18Å; I434-Y436 HydrophobicContact CG2-CD1 4.47Å; I434-Y436 HydrophobicContact CG2-CD2 4.01Å; I434-Y436 HydrophobicContact CG2-CE1 4.08Å; I434-Y436 HydrophobicContact CG2-CE2 3.58Å; I434-Y436 HydrophobicContact CG2-CG 4.44Å
435H25.9Very low32.8Very low176 Ų176128.1 Ų128.182%0.81572%0.719SS**  trans-84.8111.2170.6-124.7-73.5000110S433S433-H435 PolarHBondContact O-N 3.03Å
436Y29Very low32.1Very low174 Ų174128.9 Ų128.968%0.68273%0.732SS**  trans-85.2112.1173.6-68.5-83.7000110.6I434 N438I434-Y436 HydrophobicContact CB-CE2 4.18Å; I434-Y436 HydrophobicContact CG2-CD1 4.47Å; I434-Y436 HydrophobicContact CG2-CD2 4.01Å; I434-Y436 HydrophobicContact CG2-CE1 4.08Å; I434-Y436 HydrophobicContact CG2-CE2 3.58Å; I434-Y436 HydrophobicContact CG2-CG 4.44Å; Y436-N438 PolarHBondContact O-N 3.31Å
437S26.8Very low31.4Very low108 Ų108129.2 Ų129.276%0.75574%0.738SS**  trans-78.3110.3165.6-73.10000110.1D439S437-D439 PolarHBondContact O-N 3.06Å
438N30.7Very low30.9Very low148 Ų148129.6 Ų129.679%0.79174%0.74SS**  trans-75.768.2170.9-84.8-16000111.2Y436 T440Y436-N438 PolarHBondContact O-N 3.31Å; N438-T440 PolarHBondContact O-N 2.87Å
439D31.5Very low30.7Very low144 Ų144131.2 Ų131.277%0.7775%0.749SS**  trans-100.281.4166.3-79.6-27.5000110.3S437 T441S437-D439 PolarHBondContact O-N 3.06Å; D439-T441 VanDerWaalsContact C-N 3.34Å; D439-T441 PolarHBondContact O-N 2.86Å; D439-T441 VanDerWaalsContact O-N 3.08Å
440T31.6Very low30.2Very low129 Ų129134.6 Ų134.679%0.79175%0.745SS**  trans-61.693.1153.123.10000109.3N438N438-T440 PolarHBondContact O-N 2.87Å
441T32.7Very low30Very low117 Ų117141.7 Ų141.772%0.71875%0.75SS**  trans-116.4101.5155.4220000108.7D439 Y443D439-T441 VanDerWaalsContact C-N 3.34Å; D439-T441 PolarHBondContact O-N 2.86Å; D439-T441 VanDerWaalsContact O-N 3.08Å; T441-Y443 PolarHBondContact O-N 3.4Å
442D30Very low30Very low141 Ų141147 Ų14775%0.75477%0.766SS**  trans-55.3116.7170.9-69.9-45.7000109.7I444D442-I444 VanDerWaalsContact C-N 3.27Å; D442-I444 HydrophobicContact CB-CG1 4.49Å; D442-I444 PolarHBondContact O-N 3.35Å
443Y29.9Very low30.4Very low227 Ų227149.6 Ų149.689%0.8977%0.766SS**  trans-72.688.2164.8-89.1-92.3000108.7T441 V445T441-Y443 PolarHBondContact O-N 3.4Å; Y443-V445 PolarHBondContact O-N 3.24Å
444I28Very low30.9Very low133 Ų133154.2 Ų154.268%0.68277%0.773SS**  trans-71.5113.8161.7-62.5176.2000107.2D442 S446D442-I444 VanDerWaalsContact C-N 3.27Å; D442-I444 HydrophobicContact CB-CG1 4.49Å; D442-I444 PolarHBondContact O-N 3.35Å; I444-S446 PolarHBondContact O-N 3.28Å
445V27Very low31.4Very low132 Ų132158.9 Ų158.980%0.879%0.792SS**  trans-59.498.8164.8176.50000107.8Y443Y443-V445 PolarHBondContact O-N 3.24Å
446S28.5Very low32.4Very low102 Ų102160 Ų16071%0.71380%0.795SS**  trans-99.2104.6173.2-61.20000108.2I444I444-S446 PolarHBondContact O-N 3.28Å
447N26.2Very low33.1Very low147 Ų147161.2 Ų161.279%0.78680%0.803SS**  trans-55.3141.4165.6-85.7-10.2000110.8
448D28.7Very low33.9Very low149 Ų149167.5 Ų167.580%0.79781%0.811SS**  trans-1.8110.7164.2-61.7-37.7000117.1
449N30.5Very low34.7Very low157 Ų157170.1 Ų170.184%0.8482%0.815SS**  trans-160.2121.2132.9-98.2-38.4000109.9R451N449-R451 PolarHBondContact O-N 3.48Å
450E29.3Very low35.1Very low189 Ų189172 Ų17288%0.88382%0.818SS**  trans-43.5105.7169.6-64.4-179.9153.100111.3
451R33.6Very low35.5Very low217 Ų217171.1 Ų171.182%0.81982%0.818SS**  trans-115.497.7163.9-83.9-175174.1-176.70109N449 H453N449-R451 PolarHBondContact O-N 3.48Å; R451-H453 PolarHBondContact O-N 2.97Å
452K35.6Very low35.6Very low191 Ų191172.9 Ų172.983%0.8382%0.823SS**  trans-52.6104.8165.9-63.8-176.1177.8-179.90109K454K452-K454 PolarHBondContact O-N 3.33Å; K452-K454 VanDerWaalsContact O-N 3.08Å
453H40.4Very low36.5Very low170 Ų170177.8 Ų177.879%0.78785%0.849SS**  trans-70.2103.6170.8-74.5-75.2000108.8R451 H455R451-H453 PolarHBondContact O-N 2.97Å; H453-H455 PolarHBondContact O-N 2.85Å
454K41.5Very low36.9Very low201 Ų201175.3 Ų175.387%0.87485%0.847SS**  trans-67.3116.2168.1-71.3-174.3175.2-178.60108.4K452 K456K452-K454 PolarHBondContact O-N 3.33Å; K452-K454 VanDerWaalsContact O-N 3.08Å; K454-K456 PolarHBondContact O-N 3.31Å; K454-K456 VanDerWaalsContact O-N 3.11Å
455H43.1Very low37.3Very low184 Ų184177.5 Ų177.585%0.85286%0.856SS**  trans-59.9111.7169.3-66.9-77.1000109.7H453 K457H453-H455 PolarHBondContact O-N 2.85Å; H455-K457 PolarHBondContact O-N 3.02Å
456K46.6Very low37.9Very low200 Ų200180.1 Ų180.187%0.8786%0.859SS**  trans-80104172.1-170.7168.4-179.6177.10108.1K454 R458K454-K456 PolarHBondContact O-N 3.31Å; K454-K456 VanDerWaalsContact O-N 3.11Å; K456-R458 PolarHBondContact O-N 3.37Å
457K43.5Very low38.5Very low199 Ų199184.6 Ų184.687%0.86587%0.867SS**PPolyproline II helixtrans-56.4123.4171.3-71.4-170.1174.7-173.60109.3H455H455-K457 PolarHBondContact O-N 3.02Å
458R43.8Very low39.2Very low241 Ų241187 Ų18791%0.90987%0.872SS**PPolyproline II helixtrans-71.9127.4166.8-70.6173.783.4143.7-0.8107.4K456K456-R458 PolarHBondContact O-N 3.37Å
459K46.1Very low39.9Very low203 Ų203189.5 Ų189.588%0.88388%0.877SS**PPolyproline II helixtrans-73.9130.1166.8-77.1-169171.5-170.80107.7
460H40Very low40.6Very low182 Ų182191.9 Ų191.984%0.84388%0.88SS**PPolyproline II helixtrans-64.6128.2158.8-84.8-88.5000107.6
461S41.4Very low41.5Very low112 Ų112192.1 Ų192.178%0.78388%0.88SS**PPolyproline II helixtrans-90.2121.5159.243.60000106.5
462D34.3Very low42.1Very low153 Ų153190 Ų19082%0.81889%0.885SS**PPolyproline II helixtrans-68128.9167.2-62.8-44.8000108.5
463D49Very low42.7Very low244 Ų244189.9 Ų189.9100%1.30589%0.89SS**  trans-128.60147.8-95.1-28.2000107

Retrieved 463 of 463 residues in 259.3 ms (Link to these results)

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