A0A087Y331_POEFO Loading...

deoxyhypusine synthase

AlphaFold DB , UniProt , Accession A0A087Y331, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 365 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
1M56.3Low81.2Confident225 Ų225116 Ų116100%1.10866%0.662SS**  0144.80-74.2-174-95.500106.4D3M1-D3 PolarHBondContact O-N 2.89Å
2A54.3Low82.2Confident96 Ų96112.6 Ų112.679%0.79366%0.658SS**  trans-66.7116.7174.400000107.7H4A2-H4 PolarHBondContact O-N 3.01Å
3D66.6Low83.2Confident147 Ų147113.2 Ų113.279%0.78666%0.664SS**SBendtrans-71.5-7.7-173.3-73.2-28.5000113.2M1M1-D3 PolarHBondContact O-N 2.89Å
4H77.7Confident84.1Confident167 Ų167113.8 Ų113.877%0.77366%0.662SS**SBendtrans-138.8143178-62.6-55.3000112.3A2A2-H4 PolarHBondContact O-N 3.01Å
5A83.8Confident84.9Confident63 Ų63117.4 Ų117.452%0.52167%0.666SS.*  trans-62147.7170.800000110.3S7 M10A5-S7 PolarHBondContact O-N 3.41Å; A5-M10 HydrophobicContact CB-CG 4.11Å; A5-M10 HydrophobicContact CB-SD 4.09Å
6P91.6Very high85.5Confident86 Ų86117.4 Ų117.456%0.55867%0.672SS**  trans-56126.4179.4-24.833.9000111.9I8 A9 M10P6-I8 VanDerWaalsContact C-N 3.28Å; P6-I8 HydrophobicContact CB-CG2 4.39Å; P6-I8 PolarHBondContact O-N 3.34Å; P6-A9 HydrophobicContact CB-CB 4.23Å; P6-A9 WeakPolarHBondContact O-CB 3.5Å; P6-A9 PolarHBondContact O-N 2.93Å; P6-M10 PolarHBondContact O-N 2.82Å; P6-M10 VanDerWaalsContact O-N 3.09Å
7S88.7Confident86.1Confident84 Ų84117.1 Ų117.159%0.58768%0.679SS**Hα-helixtrans-55.8-41.1-176.754.20000112.8A5 A9 M10 E11A5-S7 PolarHBondContact O-N 3.41Å; S7-A9 VanDerWaalsContact C-N 3.26Å; S7-A9 PolarHBondContact O-N 2.87Å; S7-M10 WeakPolarHBondContact O-CB 3.36Å; S7-M10 PolarHBondContact O-N 2.72Å; S7-M10 VanDerWaalsContact O-N 3.1Å; S7-E11 WeakPolarHBondContact O-CG 3.18Å; S7-E11 PolarHBondContact O-N 3Å
8I93.5Very high86.7Confident129 Ų129115.5 Ų115.566%0.66268%0.682SS**Hα-helixtrans-60.8-34.2176.8-165.9167.9000112.8P6 A12P6-I8 VanDerWaalsContact C-N 3.28Å; P6-I8 HydrophobicContact CB-CG2 4.39Å; P6-I8 PolarHBondContact O-N 3.34Å; I8-A12 VanDerWaalsContact O-CB 3.3Å; I8-A12 WeakPolarHBondContact O-CB 3.38Å; I8-A12 PolarHBondContact O-N 3.29Å; I8-A12 VanDerWaalsContact O-N 3.16Å
9A92.6Very high87.1Confident46 Ų46119.5 Ų119.538%0.3869%0.693SS.*Hα-helixtrans-74.6-37.5176.200000111P6 S7 A12 V13P6-A9 HydrophobicContact CB-CB 4.23Å; P6-A9 WeakPolarHBondContact O-CB 3.5Å; P6-A9 PolarHBondContact O-N 2.93Å; S7-A9 VanDerWaalsContact C-N 3.26Å; S7-A9 PolarHBondContact O-N 2.87Å; A9-A12 PolarHBondContact O-N 3.2Å; A9-V13 WeakPolarHBondContact O-CB 3.24Å; A9-V13 VanDerWaalsContact O-CG2 3.29Å; A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 3.49Å
10M94.2Very high87.5Confident90 Ų90119.9 Ų119.944%0.44369%0.692SS.*Hα-helixtrans-65.3-46.1175.8-67.1-175.365.300111.9A5 P6 S7 A12 V13 L14A5-M10 HydrophobicContact CB-CG 4.11Å; A5-M10 HydrophobicContact CB-SD 4.09Å; P6-M10 PolarHBondContact O-N 2.82Å; P6-M10 VanDerWaalsContact O-N 3.09Å; S7-M10 WeakPolarHBondContact O-CB 3.36Å; S7-M10 PolarHBondContact O-N 2.72Å; S7-M10 VanDerWaalsContact O-N 3.1Å; M10-A12 VanDerWaalsContact C-N 3.31Å; M10-A12 PolarHBondContact O-N 2.69Å; M10-V13 PolarHBondContact O-N 3.23Å; M10-L14 HydrophobicContact CE-CD1 4.23Å; M10-L14 WeakPolarHBondContact O-CA 3.42Å; M10-L14 VanDerWaalsContact O-CB 3.25Å; M10-L14 WeakPolarHBondContact O-CB 3.49Å; M10-L14 PolarHBondContact O-N 3Å
11E93.6Very high87.9Confident143 Ų143117.8 Ų117.867%0.66868%0.682SS**Hα-helixtrans-62.3-38.8177-72.7174-16900112S7S7-E11 WeakPolarHBondContact O-CG 3.18Å; S7-E11 PolarHBondContact O-N 3Å
12A94Very high89.6Confident75 Ų75116.6 Ų116.662%0.6267%0.674SS**Hα-helixtrans-68.8-43.7177.900000112.7I8 A9 M10I8-A12 VanDerWaalsContact O-CB 3.3Å; I8-A12 WeakPolarHBondContact O-CB 3.38Å; I8-A12 PolarHBondContact O-N 3.29Å; I8-A12 VanDerWaalsContact O-N 3.16Å; A9-A12 PolarHBondContact O-N 3.2Å; M10-A12 VanDerWaalsContact C-N 3.31Å; M10-A12 PolarHBondContact O-N 2.69Å
13V95Very high91.4Very high120 Ų120118.7 Ų118.773%0.72767%0.672SS**Hα-helixtrans-85-34-173.6176.40000112.7A9 M10A9-V13 WeakPolarHBondContact O-CB 3.24Å; A9-V13 VanDerWaalsContact O-CG2 3.29Å; A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 3.49Å; M10-V13 PolarHBondContact O-N 3.23Å
14L95.4Very high92.7Very high122 Ų122116.1 Ų116.164%0.63966%0.656SS**SBendtrans-102.226.8-174.7-54.6177.1000112.6M10 P16M10-L14 HydrophobicContact CE-CD1 4.23Å; M10-L14 WeakPolarHBondContact O-CA 3.42Å; M10-L14 VanDerWaalsContact O-CB 3.25Å; M10-L14 WeakPolarHBondContact O-CB 3.49Å; M10-L14 PolarHBondContact O-N 3Å; L14-P16 WeakPolarHBondContact O-CD 3.47Å
15K95.8Very high93.4Very high168 Ų168113 Ų11373%0.7365%0.651SS**PPolyproline II helixtrans-59.6125.1176.7-174.3176.4179.8179.40110.1
16P95.6Very high94.1Very high117 Ų117118.5 Ų118.576%0.7666%0.663SS**PPolyproline II helixtrans-61.7137.3175-23.334.2000111.8L14L14-P16 WeakPolarHBondContact O-CD 3.47Å
17S95.8Very high94.4Very high113 Ų113120.6 Ų120.679%0.7967%0.668SS**PPolyproline II helixtrans-83.5150.8173.757.10000111.3
18A95.9Very high94.8Very high88 Ų88124.6 Ų124.673%0.72767%0.67SS**PPolyproline II helixtrans-69.6158.8161.700000110.5
19E95.3Very high95Very high191 Ų191120.2 Ų120.289%0.89366%0.657SS**PPolyproline II helixtrans-69.8144.1171.5-66.7-178.7173.900110.7
20L94.8Very high95.3Very high128 Ų128119.4 Ų119.467%0.6764%0.644SS**PPolyproline II helixtrans-95.4150.6174.3-63.2176.4000109.7E22 M24L20-E22 PolarHBondContact O-N 3.4Å; L20-M24 HydrophobicContact CD1-SD 4.24Å
21P95.4Very high95.5Very high76 Ų76117.7 Ų117.749%0.49464%0.637SS.*PPolyproline II helixtrans-52.1137.1173.8-2633.8000112.8D23 M24P21-D23 VanDerWaalsContact C-N 3.26Å; P21-D23 VanDerWaalsContact CB-OD1 3.27Å; P21-D23 WeakPolarHBondContact CB-OD1 3.41Å; P21-D23 PolarHBondContact O-N 3.38Å; P21-M24 VanDerWaalsContact O-CB 3.29Å; P21-M24 WeakPolarHBondContact O-CB 3.49Å; P21-M24 PolarHBondContact O-N 3.09Å
22E92Very high95.8Very high199 Ų199116.9 Ų116.993%0.9363%0.631SS**THydrogen-bonded Turntrans-66.1-26.9-175.9-67-171165.300113.6L20 M24L20-E22 PolarHBondContact O-N 3.4Å; E22-M24 VanDerWaalsContact C-N 3.29Å
23D92.9Very high96Very high140 Ų140120.7 Ų120.775%0.74964%0.641SS**THydrogen-bonded Turntrans-83.2-3.2179.667.6-33.5000113.4P21 P25P21-D23 VanDerWaalsContact C-N 3.26Å; P21-D23 VanDerWaalsContact CB-OD1 3.27Å; P21-D23 WeakPolarHBondContact CB-OD1 3.41Å; P21-D23 PolarHBondContact O-N 3.38Å; D23-P25 WeakPolarHBondContact O-CD 3.46Å
24M93.3Very high96Very high94 Ų94121.2 Ų121.246%0.46364%0.636SS.*SBendtrans-64.3125.5178.7-172.3176.4-74.600110.9L20 P21 E22 K26L20-M24 HydrophobicContact CD1-SD 4.24Å; P21-M24 VanDerWaalsContact O-CB 3.29Å; P21-M24 WeakPolarHBondContact O-CB 3.49Å; P21-M24 PolarHBondContact O-N 3.09Å; E22-M24 VanDerWaalsContact C-N 3.29Å; M24-K26 PolarHBondContact O-N 3.36Å
25P93Very high96.2Very high101 Ų101117 Ų11766%0.65662%0.621SS**PPolyproline II helixtrans-58.6126.7177.5-23.833.2000111.5D23 T47D23-P25 WeakPolarHBondContact O-CD 3.46Å; P25-T47 HydrophobicContact CB-CG2 4.18Å
26K96.6Very high96.3Very high178 Ų178115.7 Ų115.777%0.77463%0.627SS**PPolyproline II helixtrans-79.6139.7175.1-64.3179.5-177176.30110M24 R28M24-K26 PolarHBondContact O-N 3.36Å; K26-R28 PolarHBondContact O-N 3.27Å
27I98.1Very high96.4Very high130 Ų130114 Ų11467%0.66761%0.612SS**PPolyproline II helixtrans-66.2119.8175.2-61.4-59.4000109.7T47I27-T47 CarbonylContact C-O 3.55Å; I27-T47 VanDerWaalsContact CA-O 3.29Å; I27-T47 WeakPolarHBondContact CA-O 3.47Å
28R98Very high96.4Very high168 Ų168113.3 Ų113.363%0.63460%0.599SS**  trans-159.6119.5176.4-171.1175-178.4179.31109.4K26 T47K26-R28 PolarHBondContact O-N 3.27Å; R28-T47 CarbonylContact C-O 3.37Å; R28-T47 PolarHBondContact N-O 3.34Å; R28-T47 CarbonylContact O-C 3.58Å; R28-T47 WeakPolarHBondContact O-CB 3.33Å; R28-T47 PolarHBondContact O-OG1 2.95Å
29G98.3Very high96.4Very high37 Ų37113.2 Ų113.238%0.38158%0.582SS.*  trans-79.5175.2171.700000112.6
30Y98.5Very high96.5Very high30 Ų30105.4 Ų105.412%0.11855%0.55CS.*  trans-62.7136.7172.9-172.5-106.7000112F32 G35 D37 A40 L41 T44Y30-F32 AromaticContact CD1-CD1 3.85Å; Y30-F32 HydrophobicContact CD1-CD1 3.85Å; Y30-F32 HydrophobicContact CD1-CD2 4.27Å; Y30-F32 AromaticContact CD1-CE1 3.84Å; Y30-F32 HydrophobicContact CD1-CE1 3.84Å; Y30-F32 HydrophobicContact CD1-CE2 4.25Å; Y30-F32 HydrophobicContact CD1-CG 4.08Å; Y30-F32 HydrophobicContact CD1-CZ 4.05Å; Y30-F32 AromaticContact CE1-CD1 3.8Å; Y30-F32 HydrophobicContact CE1-CD1 3.8Å; Y30-F32 HydrophobicContact CE1-CE1 4.01Å; Y30-F32 HydrophobicContact CE1-CG 4.3Å; Y30-G35 WeakPolarHBondContact CE1-O 3.39Å; Y30-G35 PolarHBondContact OH-O 2.75Å; Y30-D37 PolarHBondContact OH-N 3.48Å; Y30-A40 HydrophobicContact CD2-CB 4.2Å; Y30-A40 HydrophobicContact CE2-CB 3.52Å; Y30-L41 VanDerWaalsContact CB-CD1 3.44Å; Y30-L41 HydrophobicContact CD1-CB 4.28Å; Y30-L41 HydrophobicContact CD1-CD1 4.13Å; Y30-L41 HydrophobicContact CD2-CB 4.41Å; Y30-L41 HydrophobicContact CG-CB 4.11Å; Y30-L41 HydrophobicContact CG-CD1 3.95Å; Y30-T44 WeakPolarHBondContact CB-OG1 3.4Å; Y30-T44 HydrophobicContact CD2-CG2 4.11Å; Y30-T44 PolarHBondContact N-OG1 3.4Å
31D98.4Very high96.7Very high53 Ų53101 Ų10128%0.28353%0.527SS..  trans-97.9103.3178.8176.511.3000109.8N33 Q34D31-N33 PolarHBondContact O-N 3.38Å; D31-N33 VanDerWaalsContact O-N 3.11Å; D31-N33 VanDerWaalsContact OD1-CB 3.29Å; D31-N33 WeakPolarHBondContact OD1-CB 3.38Å; D31-N33 PolarHBondContact OD1-N 2.73Å; D31-N33 VanDerWaalsContact OD1-N 3.09Å; D31-N33 PolarHBondContact OD1-ND2 3.04Å; D31-Q34 HydrophobicContact CB-CG 4.38Å; D31-Q34 VanDerWaalsContact O-CB 3.28Å; D31-Q34 WeakPolarHBondContact O-CB 3.42Å; D31-Q34 WeakPolarHBondContact O-CG 3.29Å; D31-Q34 PolarHBondContact O-N 3.24Å
32F98.5Very high96.8Very high127 Ų12797.7 Ų97.756%0.55751%0.505SS*.G310 helixtrans-66.6-8.2-178.8-74.1-76.8000114.3Y30 Q34 G35 L41Y30-F32 AromaticContact CD1-CD1 3.85Å; Y30-F32 HydrophobicContact CD1-CD1 3.85Å; Y30-F32 HydrophobicContact CD1-CD2 4.27Å; Y30-F32 AromaticContact CD1-CE1 3.84Å; Y30-F32 HydrophobicContact CD1-CE1 3.84Å; Y30-F32 HydrophobicContact CD1-CE2 4.25Å; Y30-F32 HydrophobicContact CD1-CG 4.08Å; Y30-F32 HydrophobicContact CD1-CZ 4.05Å; Y30-F32 AromaticContact CE1-CD1 3.8Å; Y30-F32 HydrophobicContact CE1-CD1 3.8Å; Y30-F32 HydrophobicContact CE1-CE1 4.01Å; Y30-F32 HydrophobicContact CE1-CG 4.3Å; F32-Q34 PolarHBondContact O-N 3.35Å; F32-G35 PolarHBondContact O-N 3.15Å; F32-L41 HydrophobicContact CZ-CD1 4.2Å; F32-L41 HydrophobicContact CZ-CD2 4.34Å
33N98.4Very high97.1Very high154 Ų15494.5 Ų94.582%0.82449%0.489SS*.G310 helixtrans-63.2-16.5166.3-63.4-62000112D31 G35D31-N33 PolarHBondContact O-N 3.38Å; D31-N33 VanDerWaalsContact O-N 3.11Å; D31-N33 VanDerWaalsContact OD1-CB 3.29Å; D31-N33 WeakPolarHBondContact OD1-CB 3.38Å; D31-N33 PolarHBondContact OD1-N 2.73Å; D31-N33 VanDerWaalsContact OD1-N 3.09Å; D31-N33 PolarHBondContact OD1-ND2 3.04Å; N33-G35 VanDerWaalsContact C-N 3.29Å
34Q96.8Very high97.3Very high131 Ų13189.3 Ų89.361%0.61246%0.462SS*.G310 helixtrans-851.5175-55.8177.827.500113.3D31 F32D31-Q34 HydrophobicContact CB-CG 4.38Å; D31-Q34 VanDerWaalsContact O-CB 3.28Å; D31-Q34 WeakPolarHBondContact O-CB 3.42Å; D31-Q34 WeakPolarHBondContact O-CG 3.29Å; D31-Q34 PolarHBondContact O-N 3.24Å; F32-Q34 PolarHBondContact O-N 3.35Å
35G97.9Very high97.6Very high33 Ų3387.9 Ų87.934%0.3445%0.452SS..  trans98.3-161.4-178.400000113.4Y30 F32 N33Y30-G35 WeakPolarHBondContact CE1-O 3.39Å; Y30-G35 PolarHBondContact OH-O 2.75Å; F32-G35 PolarHBondContact O-N 3.15Å; N33-G35 VanDerWaalsContact C-N 3.29Å
36V97.9Very high97.8Very high141 Ų14185.9 Ų85.986%0.85544%0.435SS*.  trans-11296.8180-177.70000109
37D97.9Very high97.9Very high81 Ų8179.3 Ų79.343%0.43341%0.41SS..  trans-124.2105172.1179.8-17.2000109Y30 K39 A40 L41Y30-D37 PolarHBondContact OH-N 3.48Å; D37-K39 VanDerWaalsContact C-N 3.3Å; D37-K39 PolarHBondContact O-N 2.91Å; D37-K39 WeakPolarHBondContact OD1-CB 3.32Å; D37-K39 PolarHBondContact OD1-N 3.29Å; D37-A40 HydrophobicContact CB-CB 3.85Å; D37-A40 VanDerWaalsContact CG-CB 3.47Å; D37-A40 PolarHBondContact O-N 3.48Å; D37-A40 PolarHBondContact OD1-N 2.75Å; D37-A40 WeakPolarHBondContact OD2-CB 3.37Å; D37-L41 WeakPolarHBondContact O-CB 3.4Å; D37-L41 PolarHBondContact O-N 2.9Å
38L96.3Very high97.9Very high100 Ų10075.7 Ų75.752%0.52439%0.394SS..Hα-helixtrans-64.1-34.8-177.8-177.959000112.3L41 L42L38-L41 HydrophobicContact CD1-CD2 4.07Å; L38-L41 WeakPolarHBondContact O-CB 3.32Å; L38-L41 PolarHBondContact O-N 3.42Å; L38-L42 HydrophobicContact CD1-CD1 4.33Å; L38-L42 HydrophobicContact CD1-CG 4.25Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 WeakPolarHBondContact O-CB 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 3.13Å
39K96.8Very high97.9Very high85 Ų8568.3 Ų68.337%0.3737%0.37SS..Hα-helixtrans-69.6-44.7178.8-178.3172.4-170.6170.30110.4D37 L41 L42 K43D37-K39 VanDerWaalsContact C-N 3.3Å; D37-K39 PolarHBondContact O-N 2.91Å; D37-K39 WeakPolarHBondContact OD1-CB 3.32Å; D37-K39 PolarHBondContact OD1-N 3.29Å; K39-L41 VanDerWaalsContact C-N 3.33Å; K39-L42 PolarHBondContact O-N 2.93Å; K39-K43 WeakPolarHBondContact O-CG 3.48Å; K39-K43 PolarHBondContact O-N 3.34Å
40A97.7Very high97.9Very high27 Ų2775.9 Ų75.922%0.22339%0.393CS..Hα-helixtrans-64.1-39.7174.500000111.5Y30 D37 K43 T44Y30-A40 HydrophobicContact CD2-CB 4.2Å; Y30-A40 HydrophobicContact CE2-CB 3.52Å; D37-A40 HydrophobicContact CB-CB 3.85Å; D37-A40 VanDerWaalsContact CG-CB 3.47Å; D37-A40 PolarHBondContact O-N 3.48Å; D37-A40 PolarHBondContact OD1-N 2.75Å; D37-A40 WeakPolarHBondContact OD2-CB 3.37Å; A40-K43 PolarHBondContact O-N 3.41Å; A40-T44 WeakPolarHBondContact O-CG2 3.39Å; A40-T44 PolarHBondContact O-N 3.25Å
41L98.3Very high97.9Very high35 Ų3577.8 Ų77.818%0.18340%0.403CS..Hα-helixtrans-57.3-53.6173.4172.963.5000111.6Y30 F32 D37 L38 K39 K43 T44 Y45Y30-L41 VanDerWaalsContact CB-CD1 3.44Å; Y30-L41 HydrophobicContact CD1-CB 4.28Å; Y30-L41 HydrophobicContact CD1-CD1 4.13Å; Y30-L41 HydrophobicContact CD2-CB 4.41Å; Y30-L41 HydrophobicContact CG-CB 4.11Å; Y30-L41 HydrophobicContact CG-CD1 3.95Å; F32-L41 HydrophobicContact CZ-CD1 4.2Å; F32-L41 HydrophobicContact CZ-CD2 4.34Å; D37-L41 WeakPolarHBondContact O-CB 3.4Å; D37-L41 PolarHBondContact O-N 2.9Å; L38-L41 HydrophobicContact CD1-CD2 4.07Å; L38-L41 WeakPolarHBondContact O-CB 3.32Å; L38-L41 PolarHBondContact O-N 3.42Å; K39-L41 VanDerWaalsContact C-N 3.33Å; L41-K43 VanDerWaalsContact C-N 3.28Å; L41-K43 PolarHBondContact O-N 3.02Å; L41-T44 PolarHBondContact O-N 3.23Å; L41-T44 PolarHBondContact O-OG1 2.86Å; L41-Y45 HydrophobicContact CD1-CE1 4.08Å; L41-Y45 HydrophobicContact CG-CE1 4.12Å; L41-Y45 WeakPolarHBondContact O-CD1 3.35Å
42L97.7Very high97.9Very high7 Ų776.1 Ų76.14%0.03740%0.397CS..Hα-helixtrans-62.9-32.8-179.6-70.6173.3000112.5L38 K39 T44 Y45 L345 E349L38-L42 HydrophobicContact CD1-CD1 4.33Å; L38-L42 HydrophobicContact CD1-CG 4.25Å; L38-L42 HydrophobicContact CG-CD1 4.2Å; L38-L42 WeakPolarHBondContact O-CB 3.32Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 3.13Å; K39-L42 PolarHBondContact O-N 2.93Å; L42-T44 VanDerWaalsContact C-N 3.31Å; L42-T44 PolarHBondContact O-N 3Å; L42-Y45 HydrophobicContact CD2-CD2 4.35Å; L42-Y45 HydrophobicContact CD2-CE2 4.13Å; L42-Y45 VanDerWaalsContact O-CB 3.29Å; L42-Y45 WeakPolarHBondContact O-CB 3.17Å; L42-Y45 PolarHBondContact O-N 3.29Å; L42-L345 HydrophobicContact CD1-CB 4.49Å; L42-L345 HydrophobicContact CD1-CD2 4.41Å; L42-L345 HydrophobicContact CD2-CD1 4.31Å; L42-E349 HydrophobicContact CB-CG 4.24Å; L42-E349 HydrophobicContact CD1-CG 3.58Å
43K97.1Very high97.9Very high133 Ų13371.3 Ų71.358%0.57838%0.378SS*.Hα-helixtrans-61.8-37.4172.2-75.4174.7178.9-177.30112.9K39 A40 L41 Y45K39-K43 WeakPolarHBondContact O-CG 3.48Å; K39-K43 PolarHBondContact O-N 3.34Å; A40-K43 PolarHBondContact O-N 3.41Å; L41-K43 VanDerWaalsContact C-N 3.28Å; L41-K43 PolarHBondContact O-N 3.02Å; K43-Y45 PolarHBondContact O-N 2.87Å
44T98.1Very high98Very high30 Ų3065.1 Ų65.118%0.18435%0.348CS..Hα-helixtrans-71.4-11.1178.367.10000113.5Y30 A40 L41 L42 L46 T47 T48Y30-T44 WeakPolarHBondContact CB-OG1 3.4Å; Y30-T44 HydrophobicContact CD2-CG2 4.11Å; Y30-T44 PolarHBondContact N-OG1 3.4Å; A40-T44 WeakPolarHBondContact O-CG2 3.39Å; A40-T44 PolarHBondContact O-N 3.25Å; L41-T44 PolarHBondContact O-N 3.23Å; L41-T44 PolarHBondContact O-OG1 2.86Å; L42-T44 VanDerWaalsContact C-N 3.31Å; L42-T44 PolarHBondContact O-N 3Å; T44-L46 PolarHBondContact O-N 3.26Å; T44-L46 VanDerWaalsContact O-N 3.14Å; T44-T47 CarbonylContact O-C 3.18Å; T44-T47 WeakPolarHBondContact O-CA 3.32Å; T44-T47 PolarHBondContact O-N 2.95Å; T44-T47 PolarHBondContact O-OG1 3.47Å; T44-T47 VanDerWaalsContact O-OG1 3.06Å; T44-T48 PolarHBondContact O-N 3.44Å; T44-T48 PolarHBondContact O-OG1 3.09Å
45Y98.5Very high98.1Very high65 Ų6559.2 Ų59.226%0.25532%0.32SS..Hα-helixtrans-58.6-30.8179.5-86.531.5000112.4L41 L42 K43 T47 T48 A52 S53 L55L41-Y45 HydrophobicContact CD1-CE1 4.08Å; L41-Y45 HydrophobicContact CG-CE1 4.12Å; L41-Y45 WeakPolarHBondContact O-CD1 3.35Å; L42-Y45 HydrophobicContact CD2-CD2 4.35Å; L42-Y45 HydrophobicContact CD2-CE2 4.13Å; L42-Y45 VanDerWaalsContact O-CB 3.29Å; L42-Y45 WeakPolarHBondContact O-CB 3.17Å; L42-Y45 PolarHBondContact O-N 3.29Å; K43-Y45 PolarHBondContact O-N 2.87Å; Y45-T47 PolarHBondContact O-N 3.45Å; Y45-T48 PolarHBondContact O-N 2.8Å; Y45-A52 WeakPolarHBondContact CB-O 3.46Å; Y45-A52 HydrophobicContact CD1-CB 4.47Å; Y45-A52 HydrophobicContact CD2-CB 3.78Å; Y45-A52 HydrophobicContact CE2-CB 4.31Å; Y45-A52 HydrophobicContact CG-CB 3.88Å; Y45-A52 CarbonylContact O-C 3.59Å; Y45-S53 WeakPolarHBondContact O-CA 3.21Å; Y45-S53 PolarHBondContact O-N 3.39Å; Y45-S53 PolarHBondContact O-OG 2.86Å; Y45-L55 HydrophobicContact CD2-CB 4.32Å; Y45-L55 HydrophobicContact CD2-CD2 3.84Å; Y45-L55 HydrophobicContact CD2-CG 4.37Å; Y45-L55 HydrophobicContact CE2-CD2 3.86Å
46L97.9Very high98.1Very high59 Ų5957.8 Ų57.831%0.30931%0.306SS..Hα-helixtrans-54.5-37.9171.2-71.6167.7000112.7T44 S53 G56 L57T44-L46 PolarHBondContact O-N 3.26Å; T44-L46 VanDerWaalsContact O-N 3.14Å; L46-S53 PolarHBondContact O-OG 3.44Å; L46-G56 VanDerWaalsContact CD2-C 3.46Å; L46-L57 HydrophobicContact CD2-CD2 4.06Å; L46-L57 HydrophobicContact CD2-CG 4.09Å
47T98.3Very high98.1Very high39 Ų3954.9 Ų54.924%0.23929%0.285CS..Hα-helixtrans-102.77-178.654.80000113.6P25 I27 R28 T44 Y45P25-T47 HydrophobicContact CB-CG2 4.18Å; I27-T47 CarbonylContact C-O 3.55Å; I27-T47 VanDerWaalsContact CA-O 3.29Å; I27-T47 WeakPolarHBondContact CA-O 3.47Å; R28-T47 CarbonylContact C-O 3.37Å; R28-T47 PolarHBondContact N-O 3.34Å; R28-T47 CarbonylContact O-C 3.58Å; R28-T47 WeakPolarHBondContact O-CB 3.33Å; R28-T47 PolarHBondContact O-OG1 2.95Å; T44-T47 CarbonylContact O-C 3.18Å; T44-T47 WeakPolarHBondContact O-CA 3.32Å; T44-T47 PolarHBondContact O-N 2.95Å; T44-T47 PolarHBondContact O-OG1 3.47Å; T44-T47 VanDerWaalsContact O-OG1 3.06Å; Y45-T47 PolarHBondContact O-N 3.45Å
48T98.6Very high98.2Very high55 Ų5551 Ų5134%0.33726%0.264SS..Hα-helixtrans-84.1-34.2177.7-63.60000112.7T44 Y45 A52T44-T48 PolarHBondContact O-N 3.44Å; T44-T48 PolarHBondContact O-OG1 3.09Å; Y45-T48 PolarHBondContact O-N 2.8Å; T48-A52 HydrophobicContact CG2-CB 3.8Å
49G98.1Very high98.3Very high13 Ų1347.1 Ų47.113%0.13424%0.244CC..  trans99.5169.3-178.600000114.4A52 S53G49-A52 WeakPolarHBondContact O-CB 3.48Å; G49-A52 PolarHBondContact O-N 2.88Å; G49-S53 WeakPolarHBondContact CA-OG 3.46Å; G49-S53 PolarHBondContact N-OG 3.35Å; G49-S53 PolarHBondContact O-N 3.17Å
50F98.5Very high98.4Very high195 Ų19547.7 Ų47.786%0.85525%0.248SC*.Hα-helixtrans52.5-137.4-179.3-48.8-56.8000113A52 S53 S54F50-A52 PolarHBondContact O-N 3.3Å; F50-S53 PolarHBondContact O-N 3.02Å; F50-S54 PolarHBondContact O-N 3.43Å
51Q98.8Very high98.4Very high71 Ų7146.8 Ų46.833%0.33224%0.239SC..Hα-helixtrans-70.4-16.7-178.8-63.4-54.3-46.100113.7S54 L55Q51-S54 PolarHBondContact O-N 3.47Å; Q51-S54 PolarHBondContact OE1-OG 3.08Å; Q51-L55 WeakPolarHBondContact O-CB 3.29Å; Q51-L55 PolarHBondContact O-N 2.96Å
52A98.7Very high98.5Very high18 Ų1845.1 Ų45.115%0.14923%0.23CC..Hα-helixtrans-63.2-47.217000000109.6Y45 T48 G49 F50 S54 L55 G56Y45-A52 WeakPolarHBondContact CB-O 3.46Å; Y45-A52 HydrophobicContact CD1-CB 4.47Å; Y45-A52 HydrophobicContact CD2-CB 3.78Å; Y45-A52 HydrophobicContact CE2-CB 4.31Å; Y45-A52 HydrophobicContact CG-CB 3.88Å; Y45-A52 CarbonylContact O-C 3.59Å; T48-A52 HydrophobicContact CG2-CB 3.8Å; G49-A52 WeakPolarHBondContact O-CB 3.48Å; G49-A52 PolarHBondContact O-N 2.88Å; F50-A52 PolarHBondContact O-N 3.3Å; A52-S54 VanDerWaalsContact C-N 3.32Å; A52-S54 PolarHBondContact O-N 3.4Å; A52-L55 PolarHBondContact O-N 3.2Å; A52-L55 VanDerWaalsContact O-N 3.1Å; A52-G56 PolarHBondContact O-N 3.2Å
53S98.7Very high98.5Very high25 Ų2546 Ų4618%0.17524%0.235CC..Hα-helixtrans-61-40.8175.2-64.20000111.8Y45 L46 G49 F50 L55 G56 L57Y45-S53 WeakPolarHBondContact O-CA 3.21Å; Y45-S53 PolarHBondContact O-N 3.39Å; Y45-S53 PolarHBondContact O-OG 2.86Å; L46-S53 PolarHBondContact O-OG 3.44Å; G49-S53 WeakPolarHBondContact CA-OG 3.46Å; G49-S53 PolarHBondContact N-OG 3.35Å; G49-S53 PolarHBondContact O-N 3.17Å; F50-S53 PolarHBondContact O-N 3.02Å; S53-L55 VanDerWaalsContact C-N 3.34Å; S53-L55 PolarHBondContact O-N 2.82Å; S53-G56 PolarHBondContact O-N 2.95Å; S53-L57 WeakPolarHBondContact O-CB 3.47Å; S53-L57 VanDerWaalsContact O-CG 3.29Å; S53-L57 WeakPolarHBondContact O-CG 3.38Å; S53-L57 PolarHBondContact O-N 3.28Å
54S98.8Very high98.6Very high25 Ų2544.3 Ų44.318%0.17523%0.225CC..Hα-helixtrans-59.3-41.9173.2-59.30000112.7F50 Q51 A52 L57 A58 V333F50-S54 PolarHBondContact O-N 3.43Å; Q51-S54 PolarHBondContact O-N 3.47Å; Q51-S54 PolarHBondContact OE1-OG 3.08Å; A52-S54 VanDerWaalsContact C-N 3.32Å; A52-S54 PolarHBondContact O-N 3.4Å; S54-L57 PolarHBondContact O-N 2.89Å; S54-A58 WeakPolarHBondContact O-CB 3.46Å; S54-A58 PolarHBondContact O-N 3Å; S54-V333 VanDerWaalsContact O-CG1 3.26Å; S54-V333 WeakPolarHBondContact O-CG1 3.28Å
55L98.8Very high98.6Very high6 Ų642.9 Ų42.93%0.03122%0.216CC..Hα-helixtrans-65.7-42.5177.1-179.658.1000111.7Y45 Q51 A52 S53 L57 A58 I59 V335 V342 I346Y45-L55 HydrophobicContact CD2-CB 4.32Å; Y45-L55 HydrophobicContact CD2-CD2 3.84Å; Y45-L55 HydrophobicContact CD2-CG 4.37Å; Y45-L55 HydrophobicContact CE2-CD2 3.86Å; Q51-L55 WeakPolarHBondContact O-CB 3.29Å; Q51-L55 PolarHBondContact O-N 2.96Å; A52-L55 PolarHBondContact O-N 3.2Å; A52-L55 VanDerWaalsContact O-N 3.1Å; S53-L55 VanDerWaalsContact C-N 3.34Å; S53-L55 PolarHBondContact O-N 2.82Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 3.03Å; L55-A58 WeakPolarHBondContact O-CB 3.45Å; L55-A58 PolarHBondContact O-N 2.92Å; L55-I59 HydrophobicContact CD1-CD1 4.49Å; L55-I59 HydrophobicContact CG-CD1 4.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.89Å; L55-V335 HydrophobicContact CB-CG1 4.49Å; L55-V342 HydrophobicContact CD1-CB 4.13Å; L55-V342 HydrophobicContact CD2-CB 4.37Å; L55-V342 HydrophobicContact CD2-CG1 4.23Å; L55-I346 HydrophobicContact CD1-CD1 3.76Å; L55-I346 HydrophobicContact CD1-CG1 3.47Å; L55-I346 VanDerWaalsContact CD1-CG1 3.47Å
56G98.6Very high98.6Very high4 Ų439.9 Ų39.94%0.04120%0.204CC..Hα-helixtrans-60-42.5174.200000112.5L46 A52 S53 I59 Q60L46-G56 VanDerWaalsContact CD2-C 3.46Å; A52-G56 PolarHBondContact O-N 3.2Å; S53-G56 PolarHBondContact O-N 2.95Å; G56-I59 PolarHBondContact O-N 3.02Å; G56-Q60 WeakPolarHBondContact O-CG 3.3Å; G56-Q60 PolarHBondContact O-N 2.91Å; G56-Q60 VanDerWaalsContact O-N 3.1Å
57L98.8Very high98.5Very high79 Ų7942.6 Ų42.641%0.41422%0.216SC..Hα-helixtrans-66.8-37.7175.6-70169.6000112.1L46 S53 S54 L55 Q60 E61 V333L46-L57 HydrophobicContact CD2-CD2 4.06Å; L46-L57 HydrophobicContact CD2-CG 4.09Å; S53-L57 WeakPolarHBondContact O-CB 3.47Å; S53-L57 VanDerWaalsContact O-CG 3.29Å; S53-L57 WeakPolarHBondContact O-CG 3.38Å; S53-L57 PolarHBondContact O-N 3.28Å; S54-L57 PolarHBondContact O-N 2.89Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 3.03Å; L57-Q60 PolarHBondContact O-N 2.86Å; L57-E61 WeakPolarHBondContact O-CB 3.47Å; L57-E61 PolarHBondContact O-N 3.08Å; L57-V333 HydrophobicContact CB-CG1 4.01Å; L57-V333 HydrophobicContact CB-CG2 3.9Å
58A98.9Very high98.4Very high0 Ų042.5 Ų42.50%021%0.212CC..Hα-helixtrans-63.4-42.1176.300000111.8S54 L55 E61 I62 V300 V333 V335S54-A58 WeakPolarHBondContact O-CB 3.46Å; S54-A58 PolarHBondContact O-N 3Å; L55-A58 WeakPolarHBondContact O-CB 3.45Å; L55-A58 PolarHBondContact O-N 2.92Å; A58-E61 PolarHBondContact O-N 3.01Å; A58-I62 WeakPolarHBondContact O-CG1 3.15Å; A58-I62 PolarHBondContact O-N 3.41Å; A58-V300 HydrophobicContact CB-CG1 3.66Å; A58-V300 HydrophobicContact CB-CG2 4.32Å; A58-V333 HydrophobicContact CB-CB 4.49Å; A58-V333 HydrophobicContact CB-CG1 4.01Å; A58-V335 HydrophobicContact CB-CG2 3.78Å
59I98.8Very high98.2Very high19 Ų1941.2 Ų41.210%0.09720%0.201CC..Hα-helixtrans-60.1-45.9173.5-70.9164.8000110.4L55 G56 E61 N63 I346 E349 T350L55-I59 HydrophobicContact CD1-CD1 4.49Å; L55-I59 HydrophobicContact CG-CD1 4.32Å; L55-I59 WeakPolarHBondContact O-CG1 3.37Å; L55-I59 PolarHBondContact O-N 2.89Å; G56-I59 PolarHBondContact O-N 3.02Å; I59-E61 PolarHBondContact O-N 3.19Å; I59-N63 WeakPolarHBondContact O-CB 3.43Å; I59-N63 PolarHBondContact O-N 2.91Å; I59-N63 PolarHBondContact O-ND2 2.81Å; I59-I346 HydrophobicContact CG1-CG1 4.34Å; I59-E349 HydrophobicContact CD1-CB 4Å; I59-E349 HydrophobicContact CD1-CG 4.38Å; I59-E349 HydrophobicContact CG1-CB 4.35Å; I59-E349 HydrophobicContact CG2-CB 3.89Å; I59-T350 HydrophobicContact CB-CG2 4.24Å; I59-T350 HydrophobicContact CG1-CG2 4.4Å; I59-T350 HydrophobicContact CG2-CG2 3.85Å
60Q98.6Very high97.9Very high96 Ų9643.9 Ų43.945%0.44921%0.212SC..Hα-helixtrans-60.8-45.1176.1-73.5-176-1900112.3G56 L57 N63 R64G56-Q60 WeakPolarHBondContact O-CG 3.3Å; G56-Q60 PolarHBondContact O-N 2.91Å; G56-Q60 VanDerWaalsContact O-N 3.1Å; L57-Q60 PolarHBondContact O-N 2.86Å; Q60-N63 PolarHBondContact O-N 3.26Å; Q60-R64 WeakPolarHBondContact O-CG 3.16Å; Q60-R64 PolarHBondContact O-N 2.93Å
61E98.8Very high97.5Very high8 Ų839.1 Ų39.14%0.03719%0.192CC..Hα-helixtrans-68-38.7-177.3-166.568.4175.200112L57 A58 I59 R64 M65 Y298 V300 V333L57-E61 WeakPolarHBondContact O-CB 3.47Å; L57-E61 PolarHBondContact O-N 3.08Å; A58-E61 PolarHBondContact O-N 3.01Å; I59-E61 PolarHBondContact O-N 3.19Å; E61-R64 WeakPolarHBondContact O-CB 3.24Å; E61-R64 PolarHBondContact O-N 3.12Å; E61-R64 IonicContact OE1-NH1 2.71Å; E61-R64 IonicContact OE2-CZ 3.48Å; E61-R64 IonicContact OE2-NE 3.92Å; E61-R64 IonicContact OE2-NH1 2.8Å; E61-R64 PolarHBondContact OE2-NH1 3.07Å; E61-M65 HydrophobicContact CG-CE 4.33Å; E61-M65 WeakPolarHBondContact O-CG 3.49Å; E61-M65 PolarHBondContact O-N 3.24Å; E61-M65 VanDerWaalsContact O-N 3.1Å; E61-Y298 WeakPolarHBondContact OE1-CD1 3.3Å; E61-V300 HydrophobicContact CB-CG2 3.83Å; E61-V300 HydrophobicContact CG-CG2 4.02Å; E61-V333 HydrophobicContact CB-CG2 4.28Å
62I98.8Very high96Very high1 Ų141.3 Ų41.31%0.00521%0.205CC..Hα-helixtrans-66.9-39.9173.1-69.9166.9000111.1A58 R64 M65 I66 I275 V300 I346 T350 F351A58-I62 WeakPolarHBondContact O-CG1 3.15Å; A58-I62 PolarHBondContact O-N 3.41Å; I62-R64 VanDerWaalsContact C-N 3.27Å; I62-R64 PolarHBondContact O-N 3.06Å; I62-M65 HydrophobicContact CG1-CE 4.28Å; I62-M65 HydrophobicContact CG1-SD 4.39Å; I62-M65 WeakPolarHBondContact O-CA 3.31Å; I62-M65 VanDerWaalsContact O-CB 3.29Å; I62-M65 WeakPolarHBondContact O-CB 3.27Å; I62-M65 PolarHBondContact O-N 2.94Å; I62-I66 HydrophobicContact CG2-CD1 4.07Å; I62-I66 WeakPolarHBondContact O-CG1 3.24Å; I62-I66 PolarHBondContact O-N 3.06Å; I62-I275 HydrophobicContact CD1-CD1 4.07Å; I62-I275 HydrophobicContact CD1-CG1 4.33Å; I62-I275 HydrophobicContact CD1-CG2 4.46Å; I62-I275 HydrophobicContact CG1-CD1 3.92Å; I62-I275 HydrophobicContact CG1-CG1 4.15Å; I62-I275 HydrophobicContact CG2-CD1 4.18Å; I62-V300 HydrophobicContact CD1-CB 4.31Å; I62-V300 HydrophobicContact CD1-CG1 4.14Å; I62-V300 HydrophobicContact CD1-CG2 4.32Å; I62-V300 HydrophobicContact CG1-CB 4.29Å; I62-V300 HydrophobicContact CG1-CG2 3.9Å; I62-I346 HydrophobicContact CD1-CG2 3.39Å; I62-T350 HydrophobicContact CB-CG2 3.97Å; I62-T350 HydrophobicContact CG2-CG2 3.78Å; I62-F351 HydrophobicContact CG2-CD2 4.31Å; I62-F351 HydrophobicContact CG2-CE2 3.7Å; I62-F351 HydrophobicContact CG2-CZ 3.93Å
63N98.6Very high94.3Very high25 Ų2542.1 Ų42.113%0.13421%0.208CC..Hα-helixtrans-62.1-35.7174.4-77.7-25.7000112I59 Q60 M65 I66 E67 E349 T350 H354I59-N63 WeakPolarHBondContact O-CB 3.43Å; I59-N63 PolarHBondContact O-N 2.91Å; I59-N63 PolarHBondContact O-ND2 2.81Å; Q60-N63 PolarHBondContact O-N 3.26Å; N63-M65 VanDerWaalsContact C-N 3.33Å; N63-M65 PolarHBondContact O-N 3.2Å; N63-I66 PolarHBondContact O-N 3.43Å; N63-E67 WeakPolarHBondContact O-CB 3.47Å; N63-E67 WeakPolarHBondContact O-CG 3.38Å; N63-E67 PolarHBondContact O-N 3.45Å; N63-E349 PolarHBondContact ND2-O 3.11Å; N63-T350 VanDerWaalsContact OD1-CA 3.24Å; N63-T350 WeakPolarHBondContact OD1-CA 3.45Å; N63-T350 WeakPolarHBondContact OD1-CB 3.29Å; N63-T350 WeakPolarHBondContact OD1-CG2 3.39Å; N63-H354 PolarHBondContact OD1-CD2 3.24Å; N63-H354 VanDerWaalsContact OD1-CD2 3.31Å; N63-H354 PolarHBondContact OD1-NE2 2.85Å
64R98.5Very high92.3Very high98 Ų9849.4 Ų49.437%0.3724%0.24SC..Hα-helixtrans-63.6-36.5170.6-68.5173.870.4-151.2-0.2112.5Q60 E61 I62 K68 Y298Q60-R64 WeakPolarHBondContact O-CG 3.16Å; Q60-R64 PolarHBondContact O-N 2.93Å; E61-R64 WeakPolarHBondContact O-CB 3.24Å; E61-R64 PolarHBondContact O-N 3.12Å; E61-R64 IonicContact OE1-NH1 2.71Å; E61-R64 IonicContact OE2-CZ 3.48Å; E61-R64 IonicContact OE2-NE 3.92Å; E61-R64 IonicContact OE2-NH1 2.8Å; E61-R64 PolarHBondContact OE2-NH1 3.07Å; I62-R64 VanDerWaalsContact C-N 3.27Å; I62-R64 PolarHBondContact O-N 3.06Å; R64-K68 VanDerWaalsContact O-CB 3.28Å; R64-K68 WeakPolarHBondContact O-CB 3.36Å; R64-K68 PolarHBondContact O-N 3.19Å; R64-Y298 HydrophobicContact CB-CD1 4.2Å; R64-Y298 HydrophobicContact CB-CE1 3.87Å
65M98.4Very high90.2Very high0 Ų051.9 Ų51.90%025%0.254CS..Hα-helixtrans-62.7-44.8172.3-59.6174.8-160.500111.1E61 I62 N63 K68 R69 I95 I275 Y298 V300E61-M65 HydrophobicContact CG-CE 4.33Å; E61-M65 WeakPolarHBondContact O-CG 3.49Å; E61-M65 PolarHBondContact O-N 3.24Å; E61-M65 VanDerWaalsContact O-N 3.1Å; I62-M65 HydrophobicContact CG1-CE 4.28Å; I62-M65 HydrophobicContact CG1-SD 4.39Å; I62-M65 WeakPolarHBondContact O-CA 3.31Å; I62-M65 VanDerWaalsContact O-CB 3.29Å; I62-M65 WeakPolarHBondContact O-CB 3.27Å; I62-M65 PolarHBondContact O-N 2.94Å; N63-M65 VanDerWaalsContact C-N 3.33Å; N63-M65 PolarHBondContact O-N 3.2Å; M65-K68 PolarHBondContact O-N 2.69Å; M65-R69 VanDerWaalsContact O-CB 3.29Å; M65-R69 WeakPolarHBondContact O-CB 3.36Å; M65-R69 PolarHBondContact O-N 2.99Å; M65-I95 HydrophobicContact CB-CD1 4.06Å; M65-I95 HydrophobicContact CB-CG1 4.4Å; M65-I275 HydrophobicContact CE-CG1 4.25Å; M65-I275 HydrophobicContact SD-CD1 4.17Å; M65-I275 HydrophobicContact SD-CG1 3.9Å; M65-Y298 VanDerWaalsContact CE-CB 3.48Å; M65-Y298 VanDerWaalsContact CG-CB 3.5Å; M65-Y298 HydrophobicContact CG-CD1 4.38Å; M65-Y298 HydrophobicContact CG-CD2 4Å; M65-Y298 HydrophobicContact CG-CG 3.72Å; M65-V300 HydrophobicContact CE-CB 4.5Å; M65-V300 HydrophobicContact CE-CG2 4.01Å
66I97.8Very high87.7Confident1 Ų158.5 Ų58.51%0.00529%0.289CS..Hα-helixtrans-64.5-47.9179.4-69.1168.5000111I62 N63 K68 R69 L70 F351 H354 L358I62-I66 HydrophobicContact CG2-CD1 4.07Å; I62-I66 WeakPolarHBondContact O-CG1 3.24Å; I62-I66 PolarHBondContact O-N 3.06Å; N63-I66 PolarHBondContact O-N 3.43Å; I66-K68 VanDerWaalsContact C-N 3.31Å; I66-K68 PolarHBondContact O-N 2.98Å; I66-R69 WeakPolarHBondContact O-CB 3.21Å; I66-R69 PolarHBondContact O-N 3.21Å; I66-L70 HydrophobicContact CG2-CD1 4.12Å; I66-L70 WeakPolarHBondContact O-CG 3.47Å; I66-L70 PolarHBondContact O-N 3.38Å; I66-F351 HydrophobicContact CD1-CD1 3.74Å; I66-F351 HydrophobicContact CD1-CE1 3.99Å; I66-F351 HydrophobicContact CD1-CG 4.11Å; I66-F351 HydrophobicContact CG1-CD1 4.14Å; I66-F351 HydrophobicContact CG1-CE1 3.99Å; I66-H354 HydrophobicContact CG2-CB 4.01Å; I66-L358 HydrophobicContact CG2-CD1 4.11Å; I66-L358 HydrophobicContact CG2-CD2 4.18Å; I66-L358 HydrophobicContact CG2-CG 4.31Å
67E96.8Very high85.2Confident117 Ų11761.7 Ų61.755%0.54732%0.322SS..Hα-helixtrans-56.7-47.9175.4-74.7173178.700110.5N63 R69 L70 E71N63-E67 WeakPolarHBondContact O-CB 3.47Å; N63-E67 WeakPolarHBondContact O-CG 3.38Å; N63-E67 PolarHBondContact O-N 3.45Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.18Å; E67-L70 PolarHBondContact O-N 2.89Å; E67-E71 PolarHBondContact O-N 3.31Å
68K96Very high82.5Confident37 Ų3766.2 Ų66.216%0.16134%0.341CS..Hα-helixtrans-65.4-33.7178.8-168.354.1166.1-176.20112.9R64 M65 I66 E71 G92 C93 K271 Y298R64-K68 VanDerWaalsContact O-CB 3.28Å; R64-K68 WeakPolarHBondContact O-CB 3.36Å; R64-K68 PolarHBondContact O-N 3.19Å; M65-K68 PolarHBondContact O-N 2.69Å; I66-K68 VanDerWaalsContact C-N 3.31Å; I66-K68 PolarHBondContact O-N 2.98Å; K68-E71 WeakPolarHBondContact CD-OE2 3.18Å; K68-E71 WeakPolarHBondContact CE-OE2 3.38Å; K68-E71 IonicContact NZ-OE1 3.08Å; K68-E71 IonicContact NZ-OE2 2.96Å; K68-E71 PolarHBondContact NZ-OE2 2.63Å; K68-E71 PolarHBondContact O-N 2.71Å; K68-G92 CarbonylContact O-C 3.53Å; K68-G92 VanDerWaalsContact O-CA 3.25Å; K68-G92 WeakPolarHBondContact O-CA 3.28Å; K68-C93 HydrophobicContact CB-CB 4.02Å; K68-C93 HydrophobicContact CG-CB 3.98Å; K68-K271 HydrophobicContact CG-CB 4.27Å; K68-K271 HydrophobicContact CG-CG 4.09Å; K68-Y298 HydrophobicContact CB-CE2 4.32Å; K68-Y298 HydrophobicContact CG-CE2 4.27Å
69R94.1Very high79.9Confident27 Ų2773.2 Ų73.210%0.10238%0.378CS..Hα-helixtrans-63.9-40.7174.8173.8175.6-167.675.1-8.5112M65 I66 E67 E71 P91 G92 C93 K119 D122M65-R69 VanDerWaalsContact O-CB 3.29Å; M65-R69 WeakPolarHBondContact O-CB 3.36Å; M65-R69 PolarHBondContact O-N 2.99Å; I66-R69 WeakPolarHBondContact O-CB 3.21Å; I66-R69 PolarHBondContact O-N 3.21Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 3.18Å; R69-E71 VanDerWaalsContact C-N 3.26Å; R69-E71 PolarHBondContact O-N 3.37Å; R69-P91 HydrophobicContact CG-CB 3.96Å; R69-P91 VanDerWaalsContact NH1-CB 3.28Å; R69-G92 PolarHBondContact O-N 2.78Å; R69-C93 HydrophobicContact CB-CB 4.18Å; R69-C93 PolarHBondContact NH1-O 2.76Å; R69-K119 PolarHBondContact NH2-O 3.15Å; R69-K119 VanDerWaalsContact NH2-O 3.12Å; R69-D122 IonicContact CZ-OD1 2.82Å; R69-D122 VanDerWaalsContact CZ-OD1 3.26Å; R69-D122 IonicContact CZ-OD2 3.59Å; R69-D122 IonicContact NH1-OD1 2.75Å; R69-D122 PolarHBondContact NH1-OD1 3.2Å; R69-D122 IonicContact NH1-OD2 3.82Å; R69-D122 PolarHBondContact NH1-OD2 3.16Å; R69-D122 IonicContact NH2-OD1 3.66Å; R69-D122 PolarHBondContact NH2-OD1 3.21Å; R69-D122 IonicContact NH2-OD2 3.81Å
70L92.5Very high77.3Confident70 Ų7079.6 Ų79.637%0.36641%0.407SS..Hα-helixtrans-72.2-17.5-179.1-69.2171.1000113.2I66 E67 L72 K357 L358I66-L70 HydrophobicContact CG2-CD1 4.12Å; I66-L70 WeakPolarHBondContact O-CG 3.47Å; I66-L70 PolarHBondContact O-N 3.38Å; E67-L70 PolarHBondContact O-N 2.89Å; L70-L72 PolarHBondContact O-N 3.43Å; L70-L72 VanDerWaalsContact O-N 3.1Å; L70-K357 HydrophobicContact CD1-CB 4.01Å; L70-K357 HydrophobicContact CD1-CD 4.29Å; L70-K357 HydrophobicContact CD2-CB 4.42Å; L70-L358 HydrophobicContact CD2-CD2 4.03Å; L70-L358 HydrophobicContact CG-CD2 4.38Å
71E89.9Confident74.6Confident94 Ų9478.2 Ų78.244%0.43941%0.409SS..SBendtrans-68.2102.7166.9-64.2175.3-153.500109.5E67 K68 R69 V73 G92E67-E71 PolarHBondContact O-N 3.31Å; K68-E71 WeakPolarHBondContact CD-OE2 3.18Å; K68-E71 WeakPolarHBondContact CE-OE2 3.38Å; K68-E71 IonicContact NZ-OE1 3.08Å; K68-E71 IonicContact NZ-OE2 2.96Å; K68-E71 PolarHBondContact NZ-OE2 2.63Å; K68-E71 PolarHBondContact O-N 2.71Å; R69-E71 VanDerWaalsContact C-N 3.26Å; R69-E71 PolarHBondContact O-N 3.37Å; E71-V73 WeakPolarHBondContact O-CG2 3.36Å; E71-G92 VanDerWaalsContact O-CA 3.3Å; E71-G92 WeakPolarHBondContact O-CA 3.28Å; E71-G92 PolarHBondContact O-N 3.46Å
72L67.5Low71.8Confident117 Ų11787.8 Ų87.861%0.61345%0.453SS*.  trans-67.7138.4172.2-68.3174.2000110L70 R89L70-L72 PolarHBondContact O-N 3.43Å; L70-L72 VanDerWaalsContact O-N 3.1Å; L72-R89 HydrophobicContact CD2-CB 4.47Å
73V63Low69.1Low35 Ų3596.8 Ų96.821%0.21250%0.495CS..BIsolated β-bridgetrans-125.1126.4-177.8-171.30000109.1E71 K270E71-V73 WeakPolarHBondContact O-CG2 3.36Å; V73-K270 HydrophobicContact CB-CD 4.14Å; V73-K270 HydrophobicContact CG1-CD 3.84Å; V73-K270 HydrophobicContact CG2-CD 3.57Å
74E56.1Low66.3Low178 Ų17899 Ų9983%0.83251%0.513SS*.  trans-68.7130.5168.1-63.2-170.2164.700109D76E74-D76 PolarHBondContact O-N 3.4Å
75V54.8Low63.3Low78 Ų78100.7 Ų100.747%0.47354%0.538SS..  trans-83.2111.1178.6-175.20000107.4G77V75-G77 PolarHBondContact O-N 3.04Å
76D46.5Very low60.5Low145 Ų145107.7 Ų107.778%0.77557%0.571SS**  trans-63.9119.6168.9-71.7-39000108.7E74 E78E74-D76 PolarHBondContact O-N 3.4Å; D76-E78 PolarHBondContact O-N 3.46Å
77G45.1Very low57.8Low70 Ų70112.6 Ų112.672%0.72261%0.605SS**THydrogen-bonded Turntrans-72.537.3-165.700000116.8V75V75-G77 PolarHBondContact O-N 3.04Å
78E43.8Very low55.2Low175 Ų175112.3 Ų112.382%0.81862%0.616SS**THydrogen-bonded Turntrans-104.7-5.7-174.1-69.1-168.8165.100115.4D76D76-E78 PolarHBondContact O-N 3.46Å
79N42.8Very low53.5Low146 Ų146119 Ų11978%0.78164%0.64SS**  trans-141.654.1-178.8-71.8-55.2000113.7
80E45.7Very low52.5Low153 Ų153122.4 Ų122.472%0.71566%0.656SS**  trans-85115.3167.2-72.3-169.8164.400111
81S41.7Very low52.1Low68 Ų68120.8 Ų120.848%0.47665%0.649SS.*  trans-77.8133.2150.753.60000108.8E83S81-E83 PolarHBondContact O-N 3.24Å
82E40.4Very low52.3Low208 Ų208116.3 Ų116.397%0.97263%0.628SS**THydrogen-bonded Turntrans-58.110.4-170.3-65.9177.414900117.3
83E41.5Very low53.6Low191 Ų191110.7 Ų110.789%0.89360%0.599SS**THydrogen-bonded Turntrans-106.21.7-172.5-102.5178176.200116S81S81-E83 PolarHBondContact O-N 3.24Å
84S40.2Very low55.3Low71 Ų71109.9 Ų109.950%0.49759%0.594SS.*  trans-115.770.9179.370.80000113.7E86S84-E86 PolarHBondContact O-N 2.79Å
85C34.8Very low57.4Low133 Ų133101.4 Ų101.490%0.89956%0.555SS**  trans-86.386.3164.2-167.30000109.2
86E38.8Very low59.5Low147 Ų14797.7 Ų97.769%0.68753%0.532SS*.SBendtrans-168104.4155.8-112.5170.6-158.400112.5S84 N224S84-E86 PolarHBondContact O-N 2.79Å; E86-N224 PolarHBondContact OE2-ND2 3.16Å
87S41.3Very low62Low104 Ų10490.8 Ų90.873%0.72750%0.495SS*.  trans65.6121.1167.880.40000118.6R89S87-R89 PolarHBondContact O-N 3.47Å
88S43.5Very low64.5Low111 Ų11187.5 Ų87.578%0.77646%0.461SS*.SBendtrans-68.526.2-175.347.40000116.4
89R60.4Low67.1Low177 Ų17779.1 Ų79.167%0.66842%0.422SS*.  trans-145.799177.2-68.8-175.2179.3162.20.7111.7L72 S87L72-R89 HydrophobicContact CD2-CB 4.47Å; S87-R89 PolarHBondContact O-N 3.47Å
90K71.5Confident69.8Low99 Ų9973.6 Ų73.643%0.4339%0.393SS..BIsolated β-bridgetrans-79143170.1-68.6-178179.9174.80109.9
91P85Confident72.4Confident36 Ų3667.6 Ų67.623%0.23437%0.368CS..  trans-61.2148174.126.2-33.2000110.4R69 C93R69-P91 HydrophobicContact CG-CB 3.96Å; R69-P91 VanDerWaalsContact NH1-CB 3.28Å; P91-C93 PolarHBondContact O-N 2.89Å; P91-C93 VanDerWaalsContact O-N 3.11Å
92G93.2Very high75.1Confident0 Ų068.2 Ų68.20%037%0.367CS..SBendtrans-64.1-16.517800000113.9K68 R69 E71 K271K68-G92 CarbonylContact O-C 3.53Å; K68-G92 VanDerWaalsContact O-CA 3.25Å; K68-G92 WeakPolarHBondContact O-CA 3.28Å; R69-G92 PolarHBondContact O-N 2.78Å; E71-G92 VanDerWaalsContact O-CA 3.3Å; E71-G92 WeakPolarHBondContact O-CA 3.28Å; E71-G92 PolarHBondContact O-N 3.46Å; G92-K271 WeakPolarHBondContact O-CB 3.36Å
93C96.6Very high77.9Confident0 Ų058.6 Ų58.60%032%0.322CS..SBendtrans-141.9126.5173.9-171.70000110.8K68 R69 P91 K271K68-C93 HydrophobicContact CB-CB 4.02Å; K68-C93 HydrophobicContact CG-CB 3.98Å; R69-C93 HydrophobicContact CB-CB 4.18Å; R69-C93 PolarHBondContact NH1-O 2.76Å; P91-C93 PolarHBondContact O-N 2.89Å; P91-C93 VanDerWaalsContact O-N 3.11Å; C93-K271 WeakPolarHBondContact CA-O 3.29Å; C93-K271 HydrophobicContact CB-CB 4.23Å
94T98.3Very high80.6Confident18 Ų1849.5 Ų49.511%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-87.7116.2171.1-55.90000109.4F96 D122 V123 A269 K271 T272 G273T94-F96 HydrophobicContact CG2-CD2 4.29Å; T94-F96 HydrophobicContact CG2-CE2 3.68Å; T94-F96 HydrophobicContact CG2-CZ 4.17Å; T94-D122 VanDerWaalsContact CA-OD2 3.24Å; T94-D122 WeakPolarHBondContact CA-OD2 3.16Å; T94-D122 HydrophobicContact CG2-CB 3.73Å; T94-V123 HydrophobicContact CG2-CG2 4.47Å; T94-A269 WeakPolarHBondContact OG1-CB 3.3Å; T94-K271 PolarHBondContact N-O 3.1Å; T94-T272 VanDerWaalsContact O-CA 3.28Å; T94-T272 WeakPolarHBondContact O-CA 3.49Å; T94-G273 PolarHBondContact O-N 3.47Å
95I98.8Very high83.4Confident0 Ų046.3 Ų46.30%026%0.257CS..EExtended strand (participates in β ladder)trans-98.9118.1-176.8-58.8177.7000109.8M65 V121 D122 V123 G273 I275 F351M65-I95 HydrophobicContact CB-CD1 4.06Å; M65-I95 HydrophobicContact CB-CG1 4.4Å; I95-V121 HydrophobicContact CG2-CB 4.44Å; I95-V121 HydrophobicContact CG2-CG1 3.98Å; I95-D122 PolarHBondContact N-OD2 3.44Å; I95-D122 PolarHBondContact O-N 3.28Å; I95-V123 PolarHBondContact O-N 2.86Å; I95-G273 WeakPolarHBondContact CA-O 3.41Å; I95-I275 HydrophobicContact CG2-CD1 3.96Å; I95-I275 HydrophobicContact CG2-CG1 4.35Å; I95-F351 HydrophobicContact CD1-CE1 4.45Å
96F98.9Very high86.4Confident0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-94.9119.9173.3-66.3-105.4000109.4T94 V123 L262 M265 A266 T272 G273 I275 I286T94-F96 HydrophobicContact CG2-CD2 4.29Å; T94-F96 HydrophobicContact CG2-CE2 3.68Å; T94-F96 HydrophobicContact CG2-CZ 4.17Å; F96-V123 HydrophobicContact CD1-CB 3.58Å; F96-V123 HydrophobicContact CD1-CG1 3.63Å; F96-V123 HydrophobicContact CD1-CG2 3.95Å; F96-V123 HydrophobicContact CE1-CB 3.89Å; F96-V123 HydrophobicContact CE1-CG1 3.89Å; F96-V123 HydrophobicContact CE1-CG2 3.73Å; F96-V123 HydrophobicContact CG-CB 4.13Å; F96-V123 HydrophobicContact CZ-CG2 4.14Å; F96-L262 HydrophobicContact CD1-CD1 4.15Å; F96-L262 HydrophobicContact CE1-CD1 3.76Å; F96-M265 HydrophobicContact CZ-CB 4.35Å; F96-A266 HydrophobicContact CZ-CB 3.94Å; F96-T272 HydrophobicContact CE2-CG2 3.82Å; F96-G273 PolarHBondContact N-O 3.2Å; F96-I275 PolarHBondContact O-N 2.61Å; F96-I286 HydrophobicContact CB-CD1 4.36Å; F96-I286 HydrophobicContact CB-CG1 4.47Å; F96-I286 HydrophobicContact CB-CG2 3.61Å; F96-I286 HydrophobicContact CD1-CG2 4.33Å; F96-I286 HydrophobicContact CG-CG2 4.14Å
97L98.9Very high89.3Confident0 Ų036.6 Ų36.60%022%0.215CC..EExtended strand (participates in β ladder)trans-104.3121174.8178.563.4000110Y99 I112 L115 V121 V123 I124 V125 I275 F343L97-Y99 HydrophobicContact CD2-CD1 4.16Å; L97-Y99 HydrophobicContact CD2-CE1 4.15Å; L97-Y99 HydrophobicContact CG-CD1 3.98Å; L97-Y99 HydrophobicContact CG-CE1 4.31Å; L97-I112 HydrophobicContact CD2-CG2 4.27Å; L97-L115 HydrophobicContact CD2-CD1 4.25Å; L97-V121 HydrophobicContact CB-CB 4.29Å; L97-V121 HydrophobicContact CB-CG1 4.08Å; L97-V121 HydrophobicContact CB-CG2 4.41Å; L97-V121 HydrophobicContact CD2-CG1 4.31Å; L97-V121 HydrophobicContact CD2-CG2 4.37Å; L97-V123 PolarHBondContact N-O 3.4Å; L97-I124 CarbonylContact O-C 3.33Å; L97-I124 VanDerWaalsContact O-CA 3.31Å; L97-I124 WeakPolarHBondContact O-CA 3.39Å; L97-V125 PolarHBondContact O-N 2.89Å; L97-I275 WeakPolarHBondContact CA-O 3.36Å; L97-I275 HydrophobicContact CD1-CB 4.11Å; L97-I275 HydrophobicContact CD1-CG2 3.95Å; L97-F343 HydrophobicContact CD1-CZ 4.46Å
98G98.9Very high92Very high0 Ų031.8 Ų31.80%018%0.181CC..EExtended strand (participates in β ladder)trans-113.9136.4173.300000111.3V125 I275 L277G98-V125 VanDerWaalsContact CA-O 3.32Å; G98-V125 WeakPolarHBondContact CA-O 3.41Å; G98-I275 PolarHBondContact N-O 2.94Å; G98-L277 PolarHBondContact O-N 3.24Å
99Y98.9Very high94.7Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-147.8149.2172.952-99.8000112.2L97 I104 I112 I124 V125 T126 Y217 L277 V282L97-Y99 HydrophobicContact CD2-CD1 4.16Å; L97-Y99 HydrophobicContact CD2-CE1 4.15Å; L97-Y99 HydrophobicContact CG-CD1 3.98Å; L97-Y99 HydrophobicContact CG-CE1 4.31Å; Y99-I104 HydrophobicContact CD2-CD1 4.38Å; Y99-I104 HydrophobicContact CD2-CG1 3.94Å; Y99-I104 HydrophobicContact CE2-CD1 3.74Å; Y99-I104 HydrophobicContact CE2-CG1 3.51Å; Y99-I112 HydrophobicContact CD1-CD1 3.69Å; Y99-I112 HydrophobicContact CD1-CG1 4.22Å; Y99-I112 HydrophobicContact CD1-CG2 4.17Å; Y99-I112 HydrophobicContact CD2-CD1 4.03Å; Y99-I112 HydrophobicContact CE1-CD1 3.99Å; Y99-I112 HydrophobicContact CE1-CG1 4.36Å; Y99-I112 HydrophobicContact CE1-CG2 3.48Å; Y99-I112 VanDerWaalsContact CE1-CG2 3.48Å; Y99-I112 HydrophobicContact CE2-CD1 4.31Å; Y99-I112 HydrophobicContact CG-CD1 3.72Å; Y99-I124 HydrophobicContact CD1-CG2 4.48Å; Y99-I124 HydrophobicContact CE1-CG2 3.48Å; Y99-I124 VanDerWaalsContact CE1-CG2 3.48Å; Y99-I124 WeakPolarHBondContact OH-CG2 3.41Å; Y99-V125 PolarHBondContact N-O 3.24Å; Y99-T126 WeakPolarHBondContact CD2-OG1 3.46Å; Y99-T126 VanDerWaalsContact CE2-CB 3.43Å; Y99-T126 HydrophobicContact CE2-CG2 3.92Å; Y99-T126 WeakPolarHBondContact CE2-OG1 3.32Å; Y99-T126 WeakPolarHBondContact O-CA 3.31Å; Y99-T126 WeakPolarHBondContact O-CB 3.28Å; Y99-T126 PolarHBondContact O-OG1 2.83Å; Y99-Y217 PolarHBondContact OH-OH 3.22Å; Y99-L277 VanDerWaalsContact CA-O 3.31Å; Y99-L277 WeakPolarHBondContact CA-O 3.32Å; Y99-V282 WeakPolarHBondContact O-CG1 3.47Å
100T98.9Very high96.5Very high29 Ų2922.6 Ų22.618%0.17813%0.133CC..  trans-82.6155.4175.550.10000112N102 L103 L277 V282T100-N102 VanDerWaalsContact C-N 3.27Å; T100-N102 VanDerWaalsContact CB-OD1 3.26Å; T100-N102 WeakPolarHBondContact CB-OD1 3.14Å; T100-N102 PolarHBondContact O-N 3.47Å; T100-N102 VanDerWaalsContact O-N 3.14Å; T100-N102 PolarHBondContact OG1-OD1 3.45Å; T100-L103 WeakPolarHBondContact O-CB 3.32Å; T100-L103 PolarHBondContact O-N 3.16Å; T100-L277 PolarHBondContact N-O 3.13Å; T100-V282 HydrophobicContact CG2-CG2 4.09Å
101S98.8Very high97.8Very high27 Ų2718.9 Ų18.919%0.18912%0.119CC..Hα-helixtrans-48.3-44.7-176.2-57.70000114.3L103 I104 S105 T127 G129 G130S101-L103 PolarHBondContact O-N 3.24Å; S101-I104 WeakPolarHBondContact O-CB 3.43Å; S101-I104 PolarHBondContact O-N 3.47Å; S101-S105 PolarHBondContact O-N 3Å; S101-S105 PolarHBondContact O-OG 3.02Å; S101-T127 PolarHBondContact N-OG1 2.87Å; S101-T127 PolarHBondContact OG-OG1 2.7Å; S101-G129 VanDerWaalsContact OG-CA 3.25Å; S101-G129 WeakPolarHBondContact OG-CA 3.32Å; S101-G129 PolarHBondContact OG-N 3.45Å; S101-G130 VanDerWaalsContact CB-N 3.29Å; S101-G130 PolarHBondContact OG-N 2.86Å
102N98.8Very high98.5Very high82 Ų8217.1 Ų17.144%0.43911%0.108SC..Hα-helixtrans-59.5-22.6-176.366.5-61000113.8T100 S105 S106T100-N102 VanDerWaalsContact C-N 3.27Å; T100-N102 VanDerWaalsContact CB-OD1 3.26Å; T100-N102 WeakPolarHBondContact CB-OD1 3.14Å; T100-N102 PolarHBondContact O-N 3.47Å; T100-N102 VanDerWaalsContact O-N 3.14Å; T100-N102 PolarHBondContact OG1-OD1 3.45Å; N102-S105 WeakPolarHBondContact CA-OG 3.4Å; N102-S105 WeakPolarHBondContact O-CB 3.33Å; N102-S105 PolarHBondContact O-N 3.49Å; N102-S106 PolarHBondContact O-N 3.28Å
103L98.9Very high98.7Very high6 Ų619 Ų193%0.03112%0.115CC..Hα-helixtrans-74.5-30176.5-62.2179.4000112T100 S101 S106 V108 R109 L277 A339T100-L103 WeakPolarHBondContact O-CB 3.32Å; T100-L103 PolarHBondContact O-N 3.16Å; S101-L103 PolarHBondContact O-N 3.24Å; L103-S106 PolarHBondContact O-N 3.01Å; L103-S106 PolarHBondContact O-OG 2.99Å; L103-V108 HydrophobicContact CB-CB 4.38Å; L103-V108 HydrophobicContact CB-CG1 4.31Å; L103-V108 HydrophobicContact CD2-CG2 4.45Å; L103-R109 PolarHBondContact O-N 2.9Å; L103-L277 HydrophobicContact CD1-CB 3.36Å; L103-L277 HydrophobicContact CD1-CD1 4.19Å; L103-L277 HydrophobicContact CD1-CG 4.44Å; L103-A339 HydrophobicContact CD1-CB 4.07Å; L103-A339 HydrophobicContact CD2-CB 3.89Å
104I98.9Very high98.8Very high0 Ų021.4 Ų21.40%013%0.125CC..Hα-helixtrans-75.3-33.1169.3-65.6-69.9000111Y99 S101 S106 R109 I112 G130 E133 D134 K137 V216Y99-I104 HydrophobicContact CD2-CD1 4.38Å; Y99-I104 HydrophobicContact CD2-CG1 3.94Å; Y99-I104 HydrophobicContact CE2-CD1 3.74Å; Y99-I104 HydrophobicContact CE2-CG1 3.51Å; S101-I104 WeakPolarHBondContact O-CB 3.43Å; S101-I104 PolarHBondContact O-N 3.47Å; I104-S106 PolarHBondContact O-N 2.55Å; I104-R109 HydrophobicContact CD1-CB 4.3Å; I104-R109 HydrophobicContact CD1-CG 4.18Å; I104-R109 HydrophobicContact CG2-CG 4.49Å; I104-I112 HydrophobicContact CD1-CD1 3.96Å; I104-G130 WeakPolarHBondContact CG1-O 3.36Å; I104-E133 HydrophobicContact CG2-CB 3.88Å; I104-D134 HydrophobicContact CG2-CB 3.93Å; I104-K137 WeakPolarHBondContact O-CE 3.34Å; I104-K137 PolarHBondContact O-NZ 3.28Å; I104-V216 HydrophobicContact CD1-CG2 4.04Å
105S98.8Very high98.9Very high3 Ų320.6 Ų20.62%0.02112%0.12CC..Hα-helixtrans-59.6-38.2170.3-36.40000111.5S101 N102 E133 K137 L165S101-S105 PolarHBondContact O-N 3Å; S101-S105 PolarHBondContact O-OG 3.02Å; N102-S105 WeakPolarHBondContact CA-OG 3.4Å; N102-S105 WeakPolarHBondContact O-CB 3.33Å; N102-S105 PolarHBondContact O-N 3.49Å; S105-E133 WeakPolarHBondContact CA-OE2 3.45Å; S105-E133 WeakPolarHBondContact CB-OE2 3.34Å; S105-E133 PolarHBondContact OG-OE1 3.07Å; S105-E133 PolarHBondContact OG-OE2 3.34Å; S105-K137 VanDerWaalsContact C-NZ 3.29Å; S105-K137 WeakPolarHBondContact O-CE 3.48Å; S105-K137 PolarHBondContact O-NZ 3.44Å; S105-L165 WeakPolarHBondContact O-CD1 3.33Å
106S98.8Very high98.9Very high22 Ų2220.6 Ų20.615%0.15412%0.12CC..SBendtrans-75.8-178177.785.20000113.8N102 L103 I104 V108 K137N102-S106 PolarHBondContact O-N 3.28Å; L103-S106 PolarHBondContact O-N 3.01Å; L103-S106 PolarHBondContact O-OG 2.99Å; I104-S106 PolarHBondContact O-N 2.55Å; S106-V108 PolarHBondContact O-N 3.48Å; S106-V108 WeakPolarHBondContact OG-CB 3.38Å; S106-V108 WeakPolarHBondContact OG-CG2 3.34Å; S106-V108 PolarHBondContact OG-N 3.15Å; S106-K137 PolarHBondContact O-NZ 2.91Å
107G98.8Very high98.8Very high54 Ų5422.8 Ų22.856%0.55713%0.13SC*.THydrogen-bonded Turntrans-78.30170.400000114.7R109 E110G107-R109 PolarHBondContact O-N 3.38Å; G107-E110 WeakPolarHBondContact CA-OE2 3.24Å; G107-E110 PolarHBondContact O-N 3.42Å; G107-E110 VanDerWaalsContact O-OE2 3.06Å
108V98.9Very high98.8Very high3 Ų324.9 Ų24.92%0.01814%0.14CC..Hα-helixtrans-66-22.6170.8175.50000110.9L103 S106 E110 S111 I112 F343L103-V108 HydrophobicContact CB-CB 4.38Å; L103-V108 HydrophobicContact CB-CG1 4.31Å; L103-V108 HydrophobicContact CD2-CG2 4.45Å; S106-V108 PolarHBondContact O-N 3.48Å; S106-V108 WeakPolarHBondContact OG-CB 3.38Å; S106-V108 WeakPolarHBondContact OG-CG2 3.34Å; S106-V108 PolarHBondContact OG-N 3.15Å; V108-E110 PolarHBondContact O-N 2.93Å; V108-S111 WeakPolarHBondContact O-CA 3.3Å; V108-S111 WeakPolarHBondContact O-CB 3.48Å; V108-S111 PolarHBondContact O-N 3.32Å; V108-I112 HydrophobicContact CG1-CD1 3.97Å; V108-I112 HydrophobicContact CG1-CG1 4.19Å; V108-I112 PolarHBondContact O-N 3.01Å; V108-F343 HydrophobicContact CG1-CD1 3.74Å; V108-F343 HydrophobicContact CG1-CE1 4.36Å
109R98.9Very high98.7Very high12 Ų1229.2 Ų29.25%0.04516%0.159CC..Hα-helixtrans-45.2-47.6170.8178.8-174.6177.3-120.16.9112.3L103 I104 G107 S111 I112 R113 D134 K137 C138 D214 V216L103-R109 PolarHBondContact O-N 2.9Å; I104-R109 HydrophobicContact CD1-CB 4.3Å; I104-R109 HydrophobicContact CD1-CG 4.18Å; I104-R109 HydrophobicContact CG2-CG 4.49Å; G107-R109 PolarHBondContact O-N 3.38Å; R109-S111 VanDerWaalsContact C-N 3.29Å; R109-S111 PolarHBondContact O-N 2.95Å; R109-I112 PolarHBondContact O-N 2.71Å; R109-I112 VanDerWaalsContact O-N 3.15Å; R109-R113 WeakPolarHBondContact O-CB 3.19Å; R109-R113 PolarHBondContact O-N 2.97Å; R109-D134 IonicContact CZ-OD1 2.67Å; R109-D134 VanDerWaalsContact CZ-OD1 3.26Å; R109-D134 IonicContact NE-OD1 3.68Å; R109-D134 PolarHBondContact NE-OD1 3.29Å; R109-D134 PolarHBondContact NH2-O 2.99Å; R109-D134 IonicContact NH2-OD1 3.97Å; R109-D134 PolarHBondContact NH2-OD1 3.06Å; R109-K137 VanDerWaalsContact CD-CD 3.42Å; R109-C138 PolarHBondContact NH2-SG 2.93Å; R109-C138 VanDerWaalsContact NH2-SG 3.43Å; R109-D214 VanDerWaalsContact CZ-O 3.25Å; R109-D214 PolarHBondContact NH1-O 3.19Å; R109-D214 PolarHBondContact NH2-O 3.27Å; R109-V216 HydrophobicContact CG-CG2 4.14Å
110E98.9Very high98.7Very high84 Ų8429.3 Ų29.339%0.39316%0.159SC..Hα-helixtrans-67.2-31.9-176.9-73.662.7-13600112.1G107 V108 Y114G107-E110 WeakPolarHBondContact CA-OE2 3.24Å; G107-E110 PolarHBondContact O-N 3.42Å; G107-E110 VanDerWaalsContact O-OE2 3.06Å; V108-E110 PolarHBondContact O-N 2.93Å; E110-Y114 WeakPolarHBondContact O-CB 3.48Å; E110-Y114 PolarHBondContact O-N 3.42Å
111S98.9Very high98.6Very high20 Ų2027.9 Ų27.914%0.1415%0.15CC..Hα-helixtrans-68.6-42.2172-600000111.6V108 R109 Y114 L115V108-S111 WeakPolarHBondContact O-CA 3.3Å; V108-S111 WeakPolarHBondContact O-CB 3.48Å; V108-S111 PolarHBondContact O-N 3.32Å; R109-S111 VanDerWaalsContact C-N 3.29Å; R109-S111 PolarHBondContact O-N 2.95Å; S111-Y114 WeakPolarHBondContact O-CB 3.27Å; S111-Y114 PolarHBondContact O-N 3.4Å; S111-L115 WeakPolarHBondContact O-CG 3.42Å; S111-L115 PolarHBondContact O-N 2.77Å
112I98.9Very high98.6Very high0 Ų027.7 Ų27.70%015%0.147CC..Hα-helixtrans-65.8-44.4176.7-66.1164.5000110.6L97 Y99 I104 V108 R109 Y114 L115 A116 V216 F343L97-I112 HydrophobicContact CD2-CG2 4.27Å; Y99-I112 HydrophobicContact CD1-CD1 3.69Å; Y99-I112 HydrophobicContact CD1-CG1 4.22Å; Y99-I112 HydrophobicContact CD1-CG2 4.17Å; Y99-I112 HydrophobicContact CD2-CD1 4.03Å; Y99-I112 HydrophobicContact CE1-CD1 3.99Å; Y99-I112 HydrophobicContact CE1-CG1 4.36Å; Y99-I112 HydrophobicContact CE1-CG2 3.48Å; Y99-I112 VanDerWaalsContact CE1-CG2 3.48Å; Y99-I112 HydrophobicContact CE2-CD1 4.31Å; Y99-I112 HydrophobicContact CG-CD1 3.72Å; I104-I112 HydrophobicContact CD1-CD1 3.96Å; V108-I112 HydrophobicContact CG1-CD1 3.97Å; V108-I112 HydrophobicContact CG1-CG1 4.19Å; V108-I112 PolarHBondContact O-N 3.01Å; R109-I112 PolarHBondContact O-N 2.71Å; R109-I112 VanDerWaalsContact O-N 3.15Å; I112-Y114 VanDerWaalsContact C-N 3.3Å; I112-Y114 PolarHBondContact O-N 2.77Å; I112-L115 PolarHBondContact O-N 2.7Å; I112-L115 VanDerWaalsContact O-N 3.11Å; I112-A116 PolarHBondContact O-N 2.85Å; I112-V216 HydrophobicContact CB-CG2 4.4Å; I112-V216 HydrophobicContact CG2-CG1 3.8Å; I112-V216 HydrophobicContact CG2-CG2 4.03Å; I112-F343 HydrophobicContact CG1-CE1 4.25Å
113R98.9Very high98.6Very high40 Ų4023.8 Ų23.815%0.15113%0.126CC..Hα-helixtrans-58.3-42.7176.8-177.9-138.864.483.212.9110.9R109 L115 A116 E117 D214 V216R109-R113 WeakPolarHBondContact O-CB 3.19Å; R109-R113 PolarHBondContact O-N 2.97Å; R113-L115 PolarHBondContact O-N 3.17Å; R113-A116 PolarHBondContact O-N 3.36Å; R113-E117 IonicContact CZ-OE2 2.75Å; R113-E117 IonicContact NH1-OE1 3.61Å; R113-E117 PolarHBondContact NH1-OE1 3.02Å; R113-E117 IonicContact NH1-OE2 3.23Å; R113-E117 PolarHBondContact NH1-OE2 3.46Å; R113-E117 IonicContact NH2-OE2 3.41Å; R113-E117 PolarHBondContact NH2-OE2 2.95Å; R113-E117 VanDerWaalsContact O-CB 3.28Å; R113-E117 WeakPolarHBondContact O-CB 3.37Å; R113-E117 PolarHBondContact O-N 3.29Å; R113-D214 WeakPolarHBondContact CD-O 3.42Å; R113-V216 HydrophobicContact CB-CG2 3.75Å
114Y98.9Very high98.6Very high50 Ų5023.5 Ų23.520%0.19613%0.125CC..Hα-helixtrans-57.8-44.8173.8175.4-96.2000112.5E110 S111 I112 A116 E117 H118 M120 V347 A352 A355E110-Y114 WeakPolarHBondContact O-CB 3.48Å; E110-Y114 PolarHBondContact O-N 3.42Å; S111-Y114 WeakPolarHBondContact O-CB 3.27Å; S111-Y114 PolarHBondContact O-N 3.4Å; I112-Y114 VanDerWaalsContact C-N 3.3Å; I112-Y114 PolarHBondContact O-N 2.77Å; Y114-A116 PolarHBondContact O-N 2.89Å; Y114-E117 PolarHBondContact O-N 3.4Å; Y114-H118 AromaticContact CD2-CD2 3.38Å; Y114-H118 WeakPolarHBondContact CD2-CD2 3.32Å; Y114-H118 AromaticContact CD2-NE2 3.47Å; Y114-H118 WeakPolarHBondContact CD2-NE2 3.3Å; Y114-H118 AromaticContact CE2-CD2 3.18Å; Y114-H118 WeakPolarHBondContact CE2-CD2 3.4Å; Y114-H118 AromaticContact CE2-NE2 3.21Å; Y114-H118 WeakPolarHBondContact CE2-NE2 3.45Å; Y114-H118 AromaticContact CG-CD2 3.97Å; Y114-H118 AromaticContact CZ-CD2 3.6Å; Y114-H118 PolarHBondContact O-CD2 2.98Å; Y114-H118 PolarHBondContact O-N 3.33Å; Y114-M120 HydrophobicContact CD1-SD 4.22Å; Y114-M120 HydrophobicContact CE1-CE 3.86Å; Y114-M120 HydrophobicContact CE1-SD 3.7Å; Y114-V347 HydrophobicContact CD1-CG1 4.15Å; Y114-V347 HydrophobicContact CE1-CG1 4.37Å; Y114-A352 HydrophobicContact CE1-CB 4.26Å; Y114-A355 VanDerWaalsContact OH-CB 3.28Å; Y114-A355 WeakPolarHBondContact OH-CB 3.49Å
115L98.8Very high98.6Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-65.1-39.1177-60.1-174000112.5L97 S111 I112 R113 K119 M120 V121 F343 V347 F351L97-L115 HydrophobicContact CD2-CD1 4.25Å; S111-L115 WeakPolarHBondContact O-CG 3.42Å; S111-L115 PolarHBondContact O-N 2.77Å; I112-L115 PolarHBondContact O-N 2.7Å; I112-L115 VanDerWaalsContact O-N 3.11Å; R113-L115 PolarHBondContact O-N 3.17Å; L115-K119 PolarHBondContact O-N 3.42Å; L115-M120 HydrophobicContact CB-CB 4.34Å; L115-M120 HydrophobicContact CD2-CB 4.12Å; L115-M120 HydrophobicContact CD2-SD 3.68Å; L115-M120 PolarHBondContact O-N 2.92Å; L115-V121 HydrophobicContact CB-CG1 4.39Å; L115-V121 HydrophobicContact CD1-CG1 4.37Å; L115-F343 HydrophobicContact CD1-CE1 4.41Å; L115-F343 HydrophobicContact CD1-CZ 3.78Å; L115-V347 HydrophobicContact CD2-CG1 4.48Å; L115-F351 HydrophobicContact CD1-CD2 4.08Å; L115-F351 HydrophobicContact CD1-CE2 4.02Å; L115-F351 HydrophobicContact CD1-CZ 4.49Å; L115-F351 HydrophobicContact CD2-CB 3.45Å; L115-F351 VanDerWaalsContact CD2-CB 3.45Å; L115-F351 HydrophobicContact CD2-CD1 3.86Å; L115-F351 HydrophobicContact CD2-CD2 3.55Å; L115-F351 HydrophobicContact CD2-CE1 4.47Å; L115-F351 HydrophobicContact CD2-CE2 4.21Å; L115-F351 HydrophobicContact CD2-CG 3.34Å; L115-F351 HydrophobicContact CG-CD2 4.5Å
116A98.6Very high98.6Very high0 Ų023.3 Ų23.30%012%0.124CC..Hα-helixtrans-68.3-44.7176.900000111.9I112 R113 Y114 H118 K119 I124 V216 W219 N223 I225I112-A116 PolarHBondContact O-N 2.85Å; R113-A116 PolarHBondContact O-N 3.36Å; Y114-A116 PolarHBondContact O-N 2.89Å; A116-H118 VanDerWaalsContact C-N 3.31Å; A116-H118 PolarHBondContact O-N 2.78Å; A116-K119 PolarHBondContact O-N 3.1Å; A116-I124 HydrophobicContact CB-CD1 4.49Å; A116-V216 HydrophobicContact CB-CG1 4.2Å; A116-W219 HydrophobicContact CB-CB 4.06Å; A116-N223 PolarHBondContact O-ND2 3.1Å; A116-I225 HydrophobicContact CB-CD1 4.48Å
117E98.6Very high98.6Very high46 Ų4623.8 Ų23.822%0.21513%0.125CC..Hα-helixtrans-56.8-42.1178.4173.9177.3-143.500112.2R113 Y114 W219 N223R113-E117 IonicContact CZ-OE2 2.75Å; R113-E117 IonicContact NH1-OE1 3.61Å; R113-E117 PolarHBondContact NH1-OE1 3.02Å; R113-E117 IonicContact NH1-OE2 3.23Å; R113-E117 PolarHBondContact NH1-OE2 3.46Å; R113-E117 IonicContact NH2-OE2 3.41Å; R113-E117 PolarHBondContact NH2-OE2 2.95Å; R113-E117 VanDerWaalsContact O-CB 3.28Å; R113-E117 WeakPolarHBondContact O-CB 3.37Å; R113-E117 PolarHBondContact O-N 3.29Å; Y114-E117 PolarHBondContact O-N 3.4Å; E117-W219 HydrophobicContact CB-CB 4.29Å; E117-W219 HydrophobicContact CB-CD2 3.68Å; E117-W219 HydrophobicContact CB-CE3 4.21Å; E117-W219 HydrophobicContact CB-CG 3.69Å; E117-W219 HydrophobicContact CG-CD2 3.72Å; E117-W219 HydrophobicContact CG-CE3 3.98Å; E117-W219 HydrophobicContact CG-CG 4.27Å; E117-W219 HydrophobicContact CG-CH2 4.05Å; E117-W219 HydrophobicContact CG-CZ2 3.8Å; E117-W219 HydrophobicContact CG-CZ3 4.14Å; E117-W219 VanDerWaalsContact OE1-CZ2 3.29Å; E117-W219 WeakPolarHBondContact OE1-CZ2 3.19Å; E117-N223 VanDerWaalsContact C-ND2 3.34Å; E117-N223 PolarHBondContact O-ND2 3.03Å
118H98.3Very high98.6Very high44 Ų4421.2 Ų21.220%0.20410%0.099CC..THydrogen-bonded Turntrans-9613.3-177.4-61.7-57.1000113.7Y114 A116 M120 T359 Q362Y114-H118 AromaticContact CD2-CD2 3.38Å; Y114-H118 WeakPolarHBondContact CD2-CD2 3.32Å; Y114-H118 AromaticContact CD2-NE2 3.47Å; Y114-H118 WeakPolarHBondContact CD2-NE2 3.3Å; Y114-H118 AromaticContact CE2-CD2 3.18Å; Y114-H118 WeakPolarHBondContact CE2-CD2 3.4Å; Y114-H118 AromaticContact CE2-NE2 3.21Å; Y114-H118 WeakPolarHBondContact CE2-NE2 3.45Å; Y114-H118 AromaticContact CG-CD2 3.97Å; Y114-H118 AromaticContact CZ-CD2 3.6Å; Y114-H118 PolarHBondContact O-CD2 2.98Å; Y114-H118 PolarHBondContact O-N 3.33Å; A116-H118 VanDerWaalsContact C-N 3.31Å; A116-H118 PolarHBondContact O-N 2.78Å; H118-M120 HydrophobicContact CB-CE 3.71Å; H118-M120 HydrophobicContact CB-CG 3.83Å; H118-M120 HydrophobicContact CB-SD 3.95Å; H118-M120 PolarHBondContact O-N 2.89Å; H118-M120 VanDerWaalsContact O-N 3.15Å; H118-T359 HydrophobicContact CB-CG2 3.9Å; H118-Q362 PolarHBondContact O-NE2 3.19Å
119K96.9Very high98.6Very high92 Ų9221.5 Ų21.540%0.410%0.102SC..THydrogen-bonded Turntrans50.438.5-179.9-156.1176.9-179170.80113.4R69 L115 A116 V121 N223 I225R69-K119 PolarHBondContact NH2-O 3.15Å; R69-K119 VanDerWaalsContact NH2-O 3.12Å; L115-K119 PolarHBondContact O-N 3.42Å; A116-K119 PolarHBondContact O-N 3.1Å; K119-V121 VanDerWaalsContact C-N 3.27Å; K119-N223 HydrophobicContact CB-CB 4.26Å; K119-N223 HydrophobicContact CD-CB 4.26Å; K119-N223 WeakPolarHBondContact CE-O 3.34Å; K119-N223 HydrophobicContact CG-CB 4.12Å; K119-I225 HydrophobicContact CG-CD1 4.43Å; K119-I225 HydrophobicContact CG-CG1 4.5Å
120M97.8Very high98.6Very high1 Ų120.9 Ų20.91%0.00510%0.1CC..  trans-80.3-13-177.2-67.2175.4165.300112.7Y114 L115 H118 F351 A355 L358Y114-M120 HydrophobicContact CD1-SD 4.22Å; Y114-M120 HydrophobicContact CE1-CE 3.86Å; Y114-M120 HydrophobicContact CE1-SD 3.7Å; L115-M120 HydrophobicContact CB-CB 4.34Å; L115-M120 HydrophobicContact CD2-CB 4.12Å; L115-M120 HydrophobicContact CD2-SD 3.68Å; L115-M120 PolarHBondContact O-N 2.92Å; H118-M120 HydrophobicContact CB-CE 3.71Å; H118-M120 HydrophobicContact CB-CG 3.83Å; H118-M120 HydrophobicContact CB-SD 3.95Å; H118-M120 PolarHBondContact O-N 2.89Å; H118-M120 VanDerWaalsContact O-N 3.15Å; M120-F351 HydrophobicContact CB-CD1 3.72Å; M120-F351 HydrophobicContact CB-CE1 4.03Å; M120-F351 HydrophobicContact CG-CD1 4.25Å; M120-F351 HydrophobicContact SD-CB 3.75Å; M120-F351 HydrophobicContact SD-CD1 4.09Å; M120-F351 HydrophobicContact SD-CG 4.29Å; M120-A355 HydrophobicContact CE-CB 4.02Å; M120-L358 HydrophobicContact CE-CB 4.22Å; M120-L358 HydrophobicContact CE-CD1 4.03Å; M120-L358 HydrophobicContact CG-CB 4.47Å; M120-L358 HydrophobicContact CG-CD1 4.09Å; M120-L358 HydrophobicContact SD-CD1 4.38Å
121V98.4Very high98.6Very high0 Ų016.9 Ų16.90%08%0.081CC..  trans-128.3158.5174.2-59.70000109.7I95 L97 L115 K119 I124I95-V121 HydrophobicContact CG2-CB 4.44Å; I95-V121 HydrophobicContact CG2-CG1 3.98Å; L97-V121 HydrophobicContact CB-CB 4.29Å; L97-V121 HydrophobicContact CB-CG1 4.08Å; L97-V121 HydrophobicContact CB-CG2 4.41Å; L97-V121 HydrophobicContact CD2-CG1 4.31Å; L97-V121 HydrophobicContact CD2-CG2 4.37Å; L115-V121 HydrophobicContact CB-CG1 4.39Å; L115-V121 HydrophobicContact CD1-CG1 4.37Å; K119-V121 VanDerWaalsContact C-N 3.27Å; V121-I124 HydrophobicContact CG2-CD1 4.48Å; V121-I124 HydrophobicContact CG2-CG1 4.23Å
122D98.4Very high98.6Very high22 Ų2216.5 Ų16.512%0.1188%0.077CC..SBendtrans-110-25.2-175.6-53.8-75000113.4R69 T94 I95 P226R69-D122 IonicContact CZ-OD1 2.82Å; R69-D122 VanDerWaalsContact CZ-OD1 3.26Å; R69-D122 IonicContact CZ-OD2 3.59Å; R69-D122 IonicContact NH1-OD1 2.75Å; R69-D122 PolarHBondContact NH1-OD1 3.2Å; R69-D122 IonicContact NH1-OD2 3.82Å; R69-D122 PolarHBondContact NH1-OD2 3.16Å; R69-D122 IonicContact NH2-OD1 3.66Å; R69-D122 PolarHBondContact NH2-OD1 3.21Å; R69-D122 IonicContact NH2-OD2 3.81Å; T94-D122 VanDerWaalsContact CA-OD2 3.24Å; T94-D122 WeakPolarHBondContact CA-OD2 3.16Å; T94-D122 HydrophobicContact CG2-CB 3.73Å; I95-D122 PolarHBondContact N-OD2 3.44Å; I95-D122 PolarHBondContact O-N 3.28Å; D122-P226 WeakPolarHBondContact O-CD 3.44Å
123V98.9Very high98.6Very high0 Ų017.1 Ų17.10%08%0.08CC..EExtended strand (participates in β ladder)trans-140.4135.9-177.8-178.30000109.2T94 I95 F96 L97 V125 F228 L262 M265T94-V123 HydrophobicContact CG2-CG2 4.47Å; I95-V123 PolarHBondContact O-N 2.86Å; F96-V123 HydrophobicContact CD1-CB 3.58Å; F96-V123 HydrophobicContact CD1-CG1 3.63Å; F96-V123 HydrophobicContact CD1-CG2 3.95Å; F96-V123 HydrophobicContact CE1-CB 3.89Å; F96-V123 HydrophobicContact CE1-CG1 3.89Å; F96-V123 HydrophobicContact CE1-CG2 3.73Å; F96-V123 HydrophobicContact CG-CB 4.13Å; F96-V123 HydrophobicContact CZ-CG2 4.14Å; L97-V123 PolarHBondContact N-O 3.4Å; V123-V125 HydrophobicContact CG1-CG2 4.34Å; V123-F228 HydrophobicContact CG1-CD2 3.73Å; V123-F228 HydrophobicContact CG1-CE2 3.71Å; V123-L262 HydrophobicContact CG1-CD1 3.82Å; V123-M265 HydrophobicContact CG2-CB 4.49Å; V123-M265 HydrophobicContact CG2-CE 3.3Å; V123-M265 HydrophobicContact CG2-SD 3.64Å
124I98.9Very high98.6Very high0 Ų015.2 Ų15.20%07%0.073CC..EExtended strand (participates in β ladder)trans-115.3137.6171.8-63.3174.2000109.5L97 Y99 A116 V121 V216 I225 P226 V227 F228L97-I124 CarbonylContact O-C 3.33Å; L97-I124 VanDerWaalsContact O-CA 3.31Å; L97-I124 WeakPolarHBondContact O-CA 3.39Å; Y99-I124 HydrophobicContact CD1-CG2 4.48Å; Y99-I124 HydrophobicContact CE1-CG2 3.48Å; Y99-I124 VanDerWaalsContact CE1-CG2 3.48Å; Y99-I124 WeakPolarHBondContact OH-CG2 3.41Å; A116-I124 HydrophobicContact CB-CD1 4.49Å; V121-I124 HydrophobicContact CG2-CD1 4.48Å; V121-I124 HydrophobicContact CG2-CG1 4.23Å; I124-V216 HydrophobicContact CD1-CG1 4.39Å; I124-I225 HydrophobicContact CD1-CG2 4.11Å; I124-I225 HydrophobicContact CG1-CG2 4.03Å; I124-P226 PolarHBondContact N-O 2.98Å; I124-V227 HydrophobicContact CB-CB 4.47Å; I124-V227 HydrophobicContact CB-CG1 4.19Å; I124-V227 HydrophobicContact CB-CG2 4.14Å; I124-V227 HydrophobicContact CD1-CG2 4.49Å; I124-V227 HydrophobicContact CG2-CG1 3.92Å; I124-V227 CarbonylContact O-C 3.48Å; I124-V227 WeakPolarHBondContact O-CA 3.35Å; I124-F228 PolarHBondContact O-N 2.7Å
125V98.9Very high98.6Very high0 Ų012.9 Ų12.90%06%0.064CC..EExtended strand (participates in β ladder)trans-128125.7167.8-171.60000109.4L97 G98 Y99 V123 F228 L262 V282 H285 I286L97-V125 PolarHBondContact O-N 2.89Å; G98-V125 VanDerWaalsContact CA-O 3.32Å; G98-V125 WeakPolarHBondContact CA-O 3.41Å; Y99-V125 PolarHBondContact N-O 3.24Å; V123-V125 HydrophobicContact CG1-CG2 4.34Å; V125-F228 WeakPolarHBondContact CA-O 3.38Å; V125-F228 HydrophobicContact CG2-CB 4.24Å; V125-F228 HydrophobicContact CG2-CD2 4.47Å; V125-L262 HydrophobicContact CG2-CD1 4.3Å; V125-V282 HydrophobicContact CG1-CB 4.4Å; V125-V282 HydrophobicContact CG1-CG1 4.46Å; V125-H285 HydrophobicContact CG1-CB 4.3Å; V125-I286 HydrophobicContact CB-CD1 3.87Å; V125-I286 HydrophobicContact CB-CG1 3.75Å; V125-I286 HydrophobicContact CG1-CG1 4.47Å; V125-I286 HydrophobicContact CG2-CD1 3.9Å; V125-I286 HydrophobicContact CG2-CG1 3.41Å; V125-I286 VanDerWaalsContact CG2-CG1 3.41Å
126T98.9Very high98.6Very high0 Ų013 Ų130%06%0.064CC..EExtended strand (participates in β ladder)trans-143.7169.9177.2-177.50000110.5Y99 I131 V227 F228 S229 V282Y99-T126 WeakPolarHBondContact CD2-OG1 3.46Å; Y99-T126 VanDerWaalsContact CE2-CB 3.43Å; Y99-T126 HydrophobicContact CE2-CG2 3.92Å; Y99-T126 WeakPolarHBondContact CE2-OG1 3.32Å; Y99-T126 WeakPolarHBondContact O-CA 3.31Å; Y99-T126 WeakPolarHBondContact O-CB 3.28Å; Y99-T126 PolarHBondContact O-OG1 2.83Å; T126-I131 HydrophobicContact CG2-CD1 3.25Å; T126-I131 HydrophobicContact CG2-CG1 3.89Å; T126-V227 HydrophobicContact CG2-CG1 4.26Å; T126-F228 PolarHBondContact N-O 3.43Å; T126-F228 VanDerWaalsContact N-O 3.11Å; T126-S229 WeakPolarHBondContact O-CA 3.42Å; T126-S229 WeakPolarHBondContact O-CB 3.29Å; T126-S229 PolarHBondContact O-OG 3.26Å; T126-V282 VanDerWaalsContact CA-CG1 3.47Å
127T98.9Very high98.6Very high31 Ų3114.6 Ų14.619%0.197%0.071CC..  trans-86.9166169.140.60000111.5S101 G129 G130 I131 L281 V282S101-T127 PolarHBondContact N-OG1 2.87Å; S101-T127 PolarHBondContact OG-OG1 2.7Å; T127-G129 PolarHBondContact O-N 2.89Å; T127-G130 WeakPolarHBondContact O-CA 3.35Å; T127-G130 PolarHBondContact O-N 3.23Å; T127-I131 PolarHBondContact O-N 3.15Å; T127-L281 HydrophobicContact CG2-CB 4.42Å; T127-V282 HydrophobicContact CG2-CG1 4.09Å
128A98.8Very high98.6Very high1 Ų113.7 Ų13.71%0.0087%0.07CC..Hα-helixtrans-54.5-45.3-17500000113.9G130 I131 E132 L232 D234A128-G130 PolarHBondContact O-N 2.91Å; A128-I131 WeakPolarHBondContact O-CA 3.29Å; A128-I131 VanDerWaalsContact O-CB 3.29Å; A128-I131 WeakPolarHBondContact O-CB 3.28Å; A128-I131 PolarHBondContact O-N 3.1Å; A128-E132 PolarHBondContact O-N 3.21Å; A128-L232 HydrophobicContact CB-CD1 4.48Å; A128-L232 VanDerWaalsContact CB-O 3.27Å; A128-L232 WeakPolarHBondContact CB-O 3.41Å; A128-D234 WeakPolarHBondContact CB-O 3.46Å
129G98.7Very high98.6Very high8 Ų814 Ų148%0.0827%0.073CC..Hα-helixtrans-54.5-35.1173.700000113.5S101 T127 I131 E133S101-G129 VanDerWaalsContact OG-CA 3.25Å; S101-G129 WeakPolarHBondContact OG-CA 3.32Å; S101-G129 PolarHBondContact OG-N 3.45Å; T127-G129 PolarHBondContact O-N 2.89Å; G129-I131 VanDerWaalsContact C-N 3.27Å; G129-I131 PolarHBondContact O-N 3.05Å; G129-E133 VanDerWaalsContact O-CB 3.26Å; G129-E133 WeakPolarHBondContact O-CB 3.34Å; G129-E133 WeakPolarHBondContact O-CG 3.48Å; G129-E133 PolarHBondContact O-N 2.87Å; G129-E133 VanDerWaalsContact O-N 3.1Å
130G98.7Very high98.7Very high0 Ų010.1 Ų10.10%06%0.058CC..Hα-helixtrans-70.8-23.6175.100000113.1S101 I104 T127 A128 Y217S101-G130 VanDerWaalsContact CB-N 3.29Å; S101-G130 PolarHBondContact OG-N 2.86Å; I104-G130 WeakPolarHBondContact CG1-O 3.36Å; T127-G130 WeakPolarHBondContact O-CA 3.35Å; T127-G130 PolarHBondContact O-N 3.23Å; A128-G130 PolarHBondContact O-N 2.91Å; G130-Y217 VanDerWaalsContact C-OH 3.28Å; G130-Y217 VanDerWaalsContact O-CE2 3.3Å; G130-Y217 WeakPolarHBondContact O-CE2 3.3Å; G130-Y217 PolarHBondContact O-OH 2.64Å
131I98.9Very high98.7Very high0 Ų016.3 Ų16.30%09%0.087CC..Hα-helixtrans-77.3-60.4172.5-56-59000110.4T126 T127 A128 G129 E133 D134 F135 I203 Y217 V227 L232 L237T126-I131 HydrophobicContact CG2-CD1 3.25Å; T126-I131 HydrophobicContact CG2-CG1 3.89Å; T127-I131 PolarHBondContact O-N 3.15Å; A128-I131 WeakPolarHBondContact O-CA 3.29Å; A128-I131 VanDerWaalsContact O-CB 3.29Å; A128-I131 WeakPolarHBondContact O-CB 3.28Å; A128-I131 PolarHBondContact O-N 3.1Å; G129-I131 VanDerWaalsContact C-N 3.27Å; G129-I131 PolarHBondContact O-N 3.05Å; I131-E133 PolarHBondContact O-N 3.23Å; I131-D134 PolarHBondContact O-N 2.76Å; I131-F135 HydrophobicContact CG2-CD2 4.14Å; I131-F135 HydrophobicContact CG2-CE2 3.58Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-I203 HydrophobicContact CD1-CD1 3.61Å; I131-I203 HydrophobicContact CD1-CG1 3.98Å; I131-I203 HydrophobicContact CD1-CG2 4.09Å; I131-I203 HydrophobicContact CG1-CD1 3.95Å; I131-I203 HydrophobicContact CG1-CG1 4.2Å; I131-I203 HydrophobicContact CG2-CG1 3.96Å; I131-I203 HydrophobicContact CG2-CG2 4.47Å; I131-Y217 VanDerWaalsContact CA-CE2 3.44Å; I131-Y217 HydrophobicContact CB-CE2 4.37Å; I131-Y217 HydrophobicContact CD1-CD1 4.47Å; I131-Y217 HydrophobicContact CD1-CE1 3.76Å; I131-Y217 HydrophobicContact CD1-CE2 4.05Å; I131-Y217 HydrophobicContact CG2-CE2 4.37Å; I131-Y217 WeakPolarHBondContact O-CE2 3.39Å; I131-V227 HydrophobicContact CD1-CG1 3.69Å; I131-L232 HydrophobicContact CB-CD1 4.2Å; I131-L232 HydrophobicContact CG1-CD1 3.84Å; I131-L232 HydrophobicContact CG2-CD1 4.32Å; I131-L237 HydrophobicContact CG2-CD2 4.35Å
132E98.6Very high98.7Very high11 Ų1118 Ų185%0.05110%0.097CC..Hα-helixtrans-66-38-170.867-161.3-146.800113A128 D134 F135 I136 F175 S236 L237A128-E132 PolarHBondContact O-N 3.21Å; E132-D134 VanDerWaalsContact C-N 3.26Å; E132-D134 PolarHBondContact O-N 3.26Å; E132-F135 PolarHBondContact O-N 3.29Å; E132-I136 HydrophobicContact CB-CD1 4.22Å; E132-I136 HydrophobicContact CG-CD1 4.29Å; E132-I136 WeakPolarHBondContact O-CB 3.42Å; E132-I136 WeakPolarHBondContact O-CD1 3.22Å; E132-I136 WeakPolarHBondContact O-CG1 3.09Å; E132-I136 PolarHBondContact O-N 2.9Å; E132-F175 HydrophobicContact CB-CE1 4.22Å; E132-F175 HydrophobicContact CB-CZ 3.99Å; E132-S236 WeakPolarHBondContact OE1-CB 3.5Å; E132-S236 PolarHBondContact OE1-N 3.47Å; E132-S236 PolarHBondContact OE2-N 3.04Å; E132-L237 HydrophobicContact CB-CB 4.4Å; E132-L237 PolarHBondContact OE2-N 2.85Å
133E98.8Very high98.7Very high14 Ų1422.8 Ų22.87%0.06511%0.114CC..Hα-helixtrans-68.1-25.4-177.5-71.9-167.5-122.700113.2I104 S105 G129 I131 K137 I162I104-E133 HydrophobicContact CG2-CB 3.88Å; S105-E133 WeakPolarHBondContact CA-OE2 3.45Å; S105-E133 WeakPolarHBondContact CB-OE2 3.34Å; S105-E133 PolarHBondContact OG-OE1 3.07Å; S105-E133 PolarHBondContact OG-OE2 3.34Å; G129-E133 VanDerWaalsContact O-CB 3.26Å; G129-E133 WeakPolarHBondContact O-CB 3.34Å; G129-E133 WeakPolarHBondContact O-CG 3.48Å; G129-E133 PolarHBondContact O-N 2.87Å; G129-E133 VanDerWaalsContact O-N 3.1Å; I131-E133 PolarHBondContact O-N 3.23Å; E133-K137 VanDerWaalsContact O-CB 3.3Å; E133-K137 WeakPolarHBondContact O-CB 3.49Å; E133-K137 VanDerWaalsContact O-CG 3.24Å; E133-K137 WeakPolarHBondContact O-CG 3.36Å; E133-K137 PolarHBondContact O-N 3Å; E133-I162 WeakPolarHBondContact OE1-CD1 3.48Å; E133-I162 WeakPolarHBondContact OE2-CD1 3.34Å
134D98.9Very high98.7Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-68.1-43.7172.7-179.161.2000111.6I104 R109 I131 E132 C138 S215 V216 Y217I104-D134 HydrophobicContact CG2-CB 3.93Å; R109-D134 IonicContact CZ-OD1 2.67Å; R109-D134 VanDerWaalsContact CZ-OD1 3.26Å; R109-D134 IonicContact NE-OD1 3.68Å; R109-D134 PolarHBondContact NE-OD1 3.29Å; R109-D134 PolarHBondContact NH2-O 2.99Å; R109-D134 IonicContact NH2-OD1 3.97Å; R109-D134 PolarHBondContact NH2-OD1 3.06Å; I131-D134 PolarHBondContact O-N 2.76Å; E132-D134 VanDerWaalsContact C-N 3.26Å; E132-D134 PolarHBondContact O-N 3.26Å; D134-C138 PolarHBondContact O-SG 3.34Å; D134-C138 VanDerWaalsContact O-SG 3.35Å; D134-S215 WeakPolarHBondContact OD2-CA 3.5Å; D134-S215 WeakPolarHBondContact OD2-CB 3.32Å; D134-S215 PolarHBondContact OD2-OG 3.25Å; D134-V216 VanDerWaalsContact CG-N 3.35Å; D134-V216 PolarHBondContact OD1-N 3.48Å; D134-V216 PolarHBondContact OD2-N 3.27Å; D134-Y217 HydrophobicContact CB-CD2 3.65Å; D134-Y217 HydrophobicContact CB-CE2 3.36Å; D134-Y217 WeakPolarHBondContact OD2-CD2 3.38Å; D134-Y217 PolarHBondContact OD2-N 2.84Å
135F98.9Very high98.7Very high0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-68.6-45.6176.7-63-51.2000110.9I131 E132 K137 C138 F175 W178 L206 I210 Y217I131-F135 HydrophobicContact CG2-CD2 4.14Å; I131-F135 HydrophobicContact CG2-CE2 3.58Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; E132-F135 PolarHBondContact O-N 3.29Å; F135-K137 PolarHBondContact O-N 3.22Å; F135-C138 VanDerWaalsContact O-CB 3.29Å; F135-C138 WeakPolarHBondContact O-CB 3.34Å; F135-C138 PolarHBondContact O-N 3.2Å; F135-F175 HydrophobicContact CB-CE2 3.95Å; F135-W178 HydrophobicContact CB-CH2 4.35Å; F135-W178 HydrophobicContact CB-CZ3 4.2Å; F135-W178 HydrophobicContact CD1-CH2 4.17Å; F135-W178 HydrophobicContact CD2-CH2 4.43Å; F135-W178 HydrophobicContact CG-CH2 4.08Å; F135-W178 HydrophobicContact CG-CZ3 4.28Å; F135-L206 HydrophobicContact CD2-CB 4.4Å; F135-L206 HydrophobicContact CD2-CD1 4.37Å; F135-L206 HydrophobicContact CE1-CB 4.08Å; F135-L206 HydrophobicContact CE2-CB 3.54Å; F135-L206 HydrophobicContact CE2-CD1 3.81Å; F135-L206 HydrophobicContact CE2-CG 4.34Å; F135-L206 HydrophobicContact CZ-CB 3.36Å; F135-L206 HydrophobicContact CZ-CD1 4.48Å; F135-I210 HydrophobicContact CB-CD1 4.44Å; F135-I210 HydrophobicContact CD1-CB 3.78Å; F135-I210 HydrophobicContact CD1-CD1 4.36Å; F135-I210 HydrophobicContact CD1-CG1 3.93Å; F135-I210 HydrophobicContact CD1-CG2 3.88Å; F135-I210 HydrophobicContact CE1-CB 4.08Å; F135-I210 HydrophobicContact CE1-CG2 3.82Å; F135-Y217 HydrophobicContact CE1-CD2 4.01Å; F135-Y217 HydrophobicContact CE1-CG 4.31Å; F135-Y217 AromaticContact CE2-CD2 3.96Å; F135-Y217 HydrophobicContact CE2-CD2 3.96Å; F135-Y217 AromaticContact CZ-CD2 3.67Å; F135-Y217 HydrophobicContact CZ-CD2 3.67Å; F135-Y217 AromaticContact CZ-CG 3.92Å; F135-Y217 HydrophobicContact CZ-CG 3.92Å
136I98.8Very high98.7Very high3 Ų334.1 Ų34.12%0.01518%0.179CC..Hα-helixtrans-57.2-40.2177.5-69.6165.2000110.8E132 C138 L139 A140 N171 Y172 F175E132-I136 HydrophobicContact CB-CD1 4.22Å; E132-I136 HydrophobicContact CG-CD1 4.29Å; E132-I136 WeakPolarHBondContact O-CB 3.42Å; E132-I136 WeakPolarHBondContact O-CD1 3.22Å; E132-I136 WeakPolarHBondContact O-CG1 3.09Å; E132-I136 PolarHBondContact O-N 2.9Å; I136-C138 PolarHBondContact O-N 3.15Å; I136-L139 WeakPolarHBondContact O-CA 3.16Å; I136-L139 WeakPolarHBondContact O-CB 3.11Å; I136-L139 PolarHBondContact O-N 2.83Å; I136-A140 PolarHBondContact O-N 3.11Å; I136-N171 HydrophobicContact CG2-CB 3.73Å; I136-Y172 HydrophobicContact CD1-CD1 3.76Å; I136-Y172 HydrophobicContact CD1-CE1 3.64Å; I136-F175 HydrophobicContact CD1-CB 4.43Å; I136-F175 HydrophobicContact CD1-CD1 4.33Å; I136-F175 HydrophobicContact CD1-CD2 4.5Å; I136-F175 HydrophobicContact CD1-CG 4.18Å; I136-F175 HydrophobicContact CG1-CB 3.85Å; I136-F175 HydrophobicContact CG1-CD1 4.33Å; I136-F175 HydrophobicContact CG1-CD2 3.7Å; I136-F175 HydrophobicContact CG1-CE2 4.31Å; I136-F175 HydrophobicContact CG1-CG 3.7Å
137K98.8Very high98.6Very high33 Ų3340.4 Ų40.414%0.14321%0.207CC..Hα-helixtrans-63.7-19.1176.9-83.5177.6171.3-168.50114.6I104 S105 S106 R109 E133 F135 L139 A140I104-K137 WeakPolarHBondContact O-CE 3.34Å; I104-K137 PolarHBondContact O-NZ 3.28Å; S105-K137 VanDerWaalsContact C-NZ 3.29Å; S105-K137 WeakPolarHBondContact O-CE 3.48Å; S105-K137 PolarHBondContact O-NZ 3.44Å; S106-K137 PolarHBondContact O-NZ 2.91Å; R109-K137 VanDerWaalsContact CD-CD 3.42Å; E133-K137 VanDerWaalsContact O-CB 3.3Å; E133-K137 WeakPolarHBondContact O-CB 3.49Å; E133-K137 VanDerWaalsContact O-CG 3.24Å; E133-K137 WeakPolarHBondContact O-CG 3.36Å; E133-K137 PolarHBondContact O-N 3Å; F135-K137 PolarHBondContact O-N 3.22Å; K137-L139 VanDerWaalsContact C-N 3.34Å; K137-A140 VanDerWaalsContact CA-O 3.3Å; K137-A140 WeakPolarHBondContact CA-O 3.33Å
138C98.8Very high98.6Very high27 Ų2743.8 Ų43.818%0.18223%0.232CC..Hα-helixtrans-80.5-16.9171.6-590000112.6R109 D134 F135 I136 I210 N212R109-C138 PolarHBondContact NH2-SG 2.93Å; R109-C138 VanDerWaalsContact NH2-SG 3.43Å; D134-C138 PolarHBondContact O-SG 3.34Å; D134-C138 VanDerWaalsContact O-SG 3.35Å; F135-C138 VanDerWaalsContact O-CB 3.29Å; F135-C138 WeakPolarHBondContact O-CB 3.34Å; F135-C138 PolarHBondContact O-N 3.2Å; I136-C138 PolarHBondContact O-N 3.15Å; C138-I210 HydrophobicContact CB-CD1 3.91Å; C138-I210 HydrophobicContact CB-CG1 3.84Å; C138-N212 HydrophobicContact CB-CB 4.3Å
139L98.5Very high98.6Very high50 Ų5046.7 Ų46.726%0.26225%0.247SC..Hα-helixtrans-103.4-31.4-177.4-52.9177.6000112.7I136 K137 K174 F175 W178 I210I136-L139 WeakPolarHBondContact O-CA 3.16Å; I136-L139 WeakPolarHBondContact O-CB 3.11Å; I136-L139 PolarHBondContact O-N 2.83Å; K137-L139 VanDerWaalsContact C-N 3.34Å; L139-K174 HydrophobicContact CB-CB 4.35Å; L139-K174 HydrophobicContact CD1-CB 4.47Å; L139-K174 PolarHBondContact O-NZ 3.25Å; L139-F175 HydrophobicContact CD1-CB 4.4Å; L139-F175 HydrophobicContact CD1-CD2 4.32Å; L139-W178 HydrophobicContact CD1-CB 3.99Å; L139-W178 HydrophobicContact CD1-CG 4.29Å; L139-W178 HydrophobicContact CD2-CG 4.49Å; L139-I210 HydrophobicContact CD2-CD1 4.23Å
140A98.2Very high98.6Very high11 Ų1149.2 Ų49.29%0.09126%0.264CS..SBendtrans-161.3162.5-17900000112.2I136 K137 N171 K174I136-A140 PolarHBondContact O-N 3.11Å; K137-A140 VanDerWaalsContact CA-O 3.3Å; K137-A140 WeakPolarHBondContact CA-O 3.33Å; A140-N171 HydrophobicContact CB-CB 4.13Å; A140-N171 VanDerWaalsContact CB-CG 3.4Å; A140-N171 VanDerWaalsContact CB-OD1 3.31Å; A140-N171 WeakPolarHBondContact CB-OD1 3.44Å; A140-K174 HydrophobicContact CB-CD 4.12Å
141H97.9Very high98.6Very high132 Ų13251.4 Ų51.461%0.61129%0.286SS*.  trans-88.5151.2-175.1-59.3-64.3000113.6Y143 N171H141-Y143 HydrophobicContact CB-CE1 4.23Å; H141-Y143 HydrophobicContact CB-CE2 4.07Å; H141-Y143 VanDerWaalsContact O-CE2 3.27Å; H141-Y143 WeakPolarHBondContact O-CE2 3.19Å; H141-N171 PolarHBondContact O-ND2 3.39Å
142T98.6Very high98.6Very high34 Ų3458.5 Ų58.521%0.20932%0.317CS..  trans-97.1142.2161.9-59.90000108.6L165 V167T142-L165 HydrophobicContact CG2-CB 3.94Å; T142-L165 HydrophobicContact CG2-CD1 4.41Å; T142-V167 HydrophobicContact CG2-CG2 3.9Å
143Y98.8Very high98.6Very high123 Ų12362.6 Ų62.648%0.48234%0.336SS..EExtended strand (participates in β ladder)trans-117.2154.9-173.3-59.4-88.7000112.1H141 L165 L166 P168H141-Y143 HydrophobicContact CB-CE1 4.23Å; H141-Y143 HydrophobicContact CB-CE2 4.07Å; H141-Y143 VanDerWaalsContact O-CE2 3.27Å; H141-Y143 WeakPolarHBondContact O-CE2 3.19Å; Y143-L165 CarbonylContact O-C 3.51Å; Y143-L165 WeakPolarHBondContact O-CA 3.41Å; Y143-L166 PolarHBondContact N-O 3.48Å; Y143-L166 PolarHBondContact O-N 2.99Å; Y143-P168 HydrophobicContact CD2-CG 4.23Å; Y143-P168 HydrophobicContact CE2-CG 4Å
144L98.8Very high98.5Very high139 Ų13962.4 Ų62.473%0.72834%0.336SS*.EExtended strand (participates in β ladder)trans-73.7135169.5-174.465.3000110L165L144-L165 HydrophobicContact CD1-CD2 4.4Å
145G98.4Very high98.5Very high23 Ų2370.8 Ų70.824%0.23737%0.367CS..  trans-136.4-142.817200000110.3N164G145-N164 CarbonylContact C-O 3.39Å; G145-N164 VanDerWaalsContact CA-O 3.3Å; G145-N164 WeakPolarHBondContact CA-O 3.34Å; G145-N164 PolarHBondContact N-O 3.46Å
146D98.4Very high98.5Very high76 Ų7676.9 Ų76.941%0.40640%0.399SS..  trans-143.4145.3-177.4-174.4-79.9000110.7S148 L149 R161D146-S148 PolarHBondContact O-N 3.23Å; D146-S148 WeakPolarHBondContact OD1-CA 3.28Å; D146-S148 VanDerWaalsContact OD1-CB 3.25Å; D146-S148 WeakPolarHBondContact OD1-CB 3.26Å; D146-S148 PolarHBondContact OD1-N 3.05Å; D146-S148 PolarHBondContact OD1-OG 3.24Å; D146-L149 HydrophobicContact CB-CD1 4.41Å; D146-L149 HydrophobicContact CB-CG 4.06Å; D146-L149 WeakPolarHBondContact O-CG 3.39Å; D146-L149 PolarHBondContact O-N 2.57Å; D146-R161 WeakPolarHBondContact O-CD 3.42Å
147F98.5Very high98.4Very high132 Ų13285.1 Ų85.158%0.57943%0.43SS*.THydrogen-bonded Turntrans-59.1-31.1-179.8-76.7-84.8000113.2R161 G163 N164F147-R161 PolarHBondContact O-NH1 3.41Å; F147-R161 VanDerWaalsContact O-NH1 3.15Å; F147-R161 PolarHBondContact O-NH2 3.47Å; F147-G163 VanDerWaalsContact CD1-C 3.46Å; F147-N164 HydrophobicContact CD2-CB 3.59Å; F147-N164 HydrophobicContact CE2-CB 3.56Å; F147-N164 HydrophobicContact CG-CB 4.2Å; F147-N164 HydrophobicContact CZ-CB 4.17Å
148S98.6Very high98.4Very high102 Ų10284.6 Ų84.671%0.71343%0.433SS*.THydrogen-bonded Turntrans-86.5-3.5-174.371.20000114.1D146 S150D146-S148 PolarHBondContact O-N 3.23Å; D146-S148 WeakPolarHBondContact OD1-CA 3.28Å; D146-S148 VanDerWaalsContact OD1-CB 3.25Å; D146-S148 WeakPolarHBondContact OD1-CB 3.26Å; D146-S148 PolarHBondContact OD1-N 3.05Å; D146-S148 PolarHBondContact OD1-OG 3.24Å; S148-S150 PolarHBondContact O-N 2.94Å
149L98.3Very high98.4Very high62 Ų6284.7 Ų84.733%0.32543%0.432SS..SBendtrans-57.8128.7178-68.4172.6000111.2D146 G151 L154 R161 L166D146-L149 HydrophobicContact CB-CD1 4.41Å; D146-L149 HydrophobicContact CB-CG 4.06Å; D146-L149 WeakPolarHBondContact O-CG 3.39Å; D146-L149 PolarHBondContact O-N 2.57Å; L149-G151 PolarHBondContact O-N 3.32Å; L149-L154 HydrophobicContact CB-CD1 3.83Å; L149-L154 HydrophobicContact CB-CG 4.33Å; L149-R161 PolarHBondContact O-NE 2.86Å; L149-R161 PolarHBondContact O-NH2 3.47Å; L149-L166 HydrophobicContact CD1-CD1 3.92Å; L149-L166 HydrophobicContact CD1-CD2 3.93Å; L149-L166 HydrophobicContact CD1-CG 4.33Å
150S98.4Very high98.4Very high62 Ų6284.6 Ų84.643%0.43443%0.432SS..  trans-59.8120.2-177.2174.60000111.6S148 K152 E153 L154S148-S150 PolarHBondContact O-N 2.94Å; S150-K152 PolarHBondContact O-N 2.65Å; S150-E153 PolarHBondContact O-N 2.86Å; S150-L154 WeakPolarHBondContact O-CG 3.49Å; S150-L154 PolarHBondContact O-N 2.67Å
151G98.5Very high98.4Very high46 Ų4688.9 Ų88.947%0.47445%0.445SS..Hα-helixtrans-60.3-33.1177.900000113.1L149 R155L149-G151 PolarHBondContact O-N 3.32Å; G151-R155 VanDerWaalsContact O-CB 3.32Å; G151-R155 WeakPolarHBondContact O-CB 3.49Å; G151-R155 PolarHBondContact O-N 3Å
152K98.4Very high98.5Very high148 Ų14884.5 Ų84.564%0.64343%0.426SS*.Hα-helixtrans-62.9-50.2177-178.8-173.5174.4-169.80111.4S150 R155 L156S150-K152 PolarHBondContact O-N 2.65Å; K152-R155 PolarHBondContact O-N 3.37Å; K152-L156 HydrophobicContact CG-CD1 4.33Å; K152-L156 WeakPolarHBondContact O-CG 3.42Å; K152-L156 PolarHBondContact O-N 2.99Å
153E98.5Very high98.5Very high98 Ų9884.2 Ų84.246%0.45843%0.43SS..Hα-helixtrans-67.5-40-178-64.2-52.5132.300111.5S150 L156 R157S150-E153 PolarHBondContact O-N 2.86Å; E153-L156 PolarHBondContact O-N 3.15Å; E153-R157 WeakPolarHBondContact O-CG 3.3Å; E153-R157 PolarHBondContact O-N 3.22Å
154L98.6Very high98.5Very high10 Ų1081.1 Ų81.15%0.05242%0.422CS..Hα-helixtrans-61.6-44.8174.8-69.9178.6000111.6L149 S150 R157 G158 I159 R161 L166L149-L154 HydrophobicContact CB-CD1 3.83Å; L149-L154 HydrophobicContact CB-CG 4.33Å; S150-L154 WeakPolarHBondContact O-CG 3.49Å; S150-L154 PolarHBondContact O-N 2.67Å; L154-R157 CarbonylContact O-C 3.5Å; L154-R157 PolarHBondContact O-N 2.8Å; L154-R157 VanDerWaalsContact O-N 3.15Å; L154-G158 PolarHBondContact O-N 3.15Å; L154-G158 VanDerWaalsContact O-N 3.1Å; L154-I159 CarbonylContact C-O 3.18Å; L154-I159 HydrophobicContact CB-CB 4.47Å; L154-I159 WeakPolarHBondContact CB-O 3.35Å; L154-I159 HydrophobicContact CD2-CB 4.04Å; L154-I159 HydrophobicContact CD2-CD1 4.45Å; L154-I159 HydrophobicContact CD2-CG2 3.96Å; L154-I159 PolarHBondContact O-N 2.83Å; L154-R161 HydrophobicContact CD1-CB 3.73Å; L154-R161 HydrophobicContact CD1-CG 4.4Å; L154-L166 HydrophobicContact CD1-CD2 4.1Å; L154-L166 HydrophobicContact CD2-CD2 4Å
155R98.2Very high98.5Very high175 Ų17575.8 Ų75.866%0.6639%0.394SS*.Hα-helixtrans-63.3-44178.4179.958.1179.2-173.11.5112.5G151 K152 R157 G158G151-R155 VanDerWaalsContact O-CB 3.32Å; G151-R155 WeakPolarHBondContact O-CB 3.49Å; G151-R155 PolarHBondContact O-N 3Å; K152-R155 PolarHBondContact O-N 3.37Å; R155-R157 PolarHBondContact O-N 2.92Å; R155-G158 PolarHBondContact O-N 3.29Å
156L98.3Very high98.5Very high128 Ų12876 Ų7667%0.6739%0.39SS*.Hα-helixtrans-60.7-26.5177-73.4173000112.6K152 E153K152-L156 HydrophobicContact CG-CD1 4.33Å; K152-L156 WeakPolarHBondContact O-CG 3.42Å; K152-L156 PolarHBondContact O-N 2.99Å; E153-L156 PolarHBondContact O-N 3.15Å
157R98.1Very high98.5Very high177 Ų17772.5 Ų72.567%0.66837%0.371SS*.THydrogen-bonded Turntrans-94.70.3177.6-66.2173.560.2-166.2-2.9114E153 L154 R155 I159E153-R157 WeakPolarHBondContact O-CG 3.3Å; E153-R157 PolarHBondContact O-N 3.22Å; L154-R157 CarbonylContact O-C 3.5Å; L154-R157 PolarHBondContact O-N 2.8Å; L154-R157 VanDerWaalsContact O-N 3.15Å; R155-R157 PolarHBondContact O-N 2.92Å; R157-I159 HydrophobicContact CB-CD1 4.06Å; R157-I159 HydrophobicContact CB-CG1 4.2Å
158G98.1Very high98.5Very high21 Ų2167.8 Ų67.822%0.21635%0.354CS..THydrogen-bonded Turntrans65.637.7-176.800000113.7L154 R155 N169L154-G158 PolarHBondContact O-N 3.15Å; L154-G158 VanDerWaalsContact O-N 3.1Å; R155-G158 PolarHBondContact O-N 3.29Å; G158-N169 VanDerWaalsContact O-CB 3.28Å; G158-N169 WeakPolarHBondContact O-CB 3.34Å; G158-N169 PolarHBondContact O-N 2.96Å
159I98.6Very high98.5Very high30 Ų3065.5 Ų65.515%0.15433%0.333CS..EExtended strand (participates in β ladder)trans-116129.5178-56.5171.7000108.8L154 R157 L166L154-I159 CarbonylContact C-O 3.18Å; L154-I159 HydrophobicContact CB-CB 4.47Å; L154-I159 WeakPolarHBondContact CB-O 3.35Å; L154-I159 HydrophobicContact CD2-CB 4.04Å; L154-I159 HydrophobicContact CD2-CD1 4.45Å; L154-I159 HydrophobicContact CD2-CG2 3.96Å; L154-I159 PolarHBondContact O-N 2.83Å; R157-I159 HydrophobicContact CB-CD1 4.06Å; R157-I159 HydrophobicContact CB-CG1 4.2Å; I159-L166 HydrophobicContact CG2-CB 3.96Å; I159-L166 HydrophobicContact CG2-CD2 3.87Å; I159-L166 HydrophobicContact CG2-CG 4.33Å
160N98.4Very high98.4Very high47 Ų4768 Ų6825%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-97.1143.8175.2-51.1-67.7000110L166 V167 N169 Y172N160-L166 WeakPolarHBondContact O-CA 3.44Å; N160-V167 PolarHBondContact N-O 2.93Å; N160-V167 PolarHBondContact ND2-O 2.58Å; N160-V167 PolarHBondContact O-N 3.46Å; N160-N169 PolarHBondContact ND2-OD1 3.34Å; N160-N169 PolarHBondContact OD1-OD1 3.42Å; N160-Y172 WeakPolarHBondContact ND2-CE2 3.33Å
161R98.7Very high98.4Very high101 Ų10165.5 Ų65.538%0.38133%0.329SS..EExtended strand (participates in β ladder)trans-112.6131.7179.4-178.9164.362.372-3.7111.3D146 F147 L149 L154 G163 L165 L166D146-R161 WeakPolarHBondContact O-CD 3.42Å; F147-R161 PolarHBondContact O-NH1 3.41Å; F147-R161 VanDerWaalsContact O-NH1 3.15Å; F147-R161 PolarHBondContact O-NH2 3.47Å; L149-R161 PolarHBondContact O-NE 2.86Å; L149-R161 PolarHBondContact O-NH2 3.47Å; L154-R161 HydrophobicContact CD1-CB 3.73Å; L154-R161 HydrophobicContact CD1-CG 4.4Å; R161-G163 VanDerWaalsContact CD-O 3.31Å; R161-G163 WeakPolarHBondContact CD-O 3.39Å; R161-G163 WeakPolarHBondContact CG-O 3.29Å; R161-G163 PolarHBondContact NH1-O 3.01Å; R161-L165 WeakPolarHBondContact CA-O 3.15Å; R161-L166 HydrophobicContact CB-CD2 4.14Å; R161-L166 HydrophobicContact CG-CD2 4.3Å
162I98.7Very high98.4Very high40 Ų4065.4 Ų65.421%0.20531%0.314CS..EExtended strand (participates in β ladder)trans-121.794.8173.7-54.6174.4000107.2E133 N164 L165 V167E133-I162 WeakPolarHBondContact OE1-CD1 3.48Å; E133-I162 WeakPolarHBondContact OE2-CD1 3.34Å; I162-N164 PolarHBondContact O-N 3.35Å; I162-N164 VanDerWaalsContact O-N 3.11Å; I162-L165 HydrophobicContact CB-CB 4.37Å; I162-L165 PolarHBondContact N-O 2.73Å; I162-L165 WeakPolarHBondContact O-CB 2.97Å; I162-L165 PolarHBondContact O-N 3.3Å; I162-V167 HydrophobicContact CD1-CG2 3.8Å; I162-V167 HydrophobicContact CG1-CG2 4.48Å
163G98.5Very high98.4Very high28 Ų2861.5 Ų61.529%0.28931%0.305SS..THydrogen-bonded Turntrans61.5-115.2-17200000111.6F147 R161F147-G163 VanDerWaalsContact CD1-C 3.46Å; R161-G163 VanDerWaalsContact CD-O 3.31Å; R161-G163 WeakPolarHBondContact CD-O 3.39Å; R161-G163 WeakPolarHBondContact CG-O 3.29Å; R161-G163 PolarHBondContact NH1-O 3.01Å
164N98.6Very high98.4Very high58 Ų5861.7 Ų61.731%0.3130%0.304SS..THydrogen-bonded Turntrans-100.720.2170.565.4-16000113.6G145 F147 I162G145-N164 CarbonylContact C-O 3.39Å; G145-N164 VanDerWaalsContact CA-O 3.3Å; G145-N164 WeakPolarHBondContact CA-O 3.34Å; G145-N164 PolarHBondContact N-O 3.46Å; F147-N164 HydrophobicContact CD2-CB 3.59Å; F147-N164 HydrophobicContact CE2-CB 3.56Å; F147-N164 HydrophobicContact CG-CB 4.2Å; F147-N164 HydrophobicContact CZ-CB 4.17Å; I162-N164 PolarHBondContact O-N 3.35Å; I162-N164 VanDerWaalsContact O-N 3.11Å
165L98.8Very high98.4Very high28 Ų2861.2 Ų61.215%0.14730%0.301CS..EExtended strand (participates in β ladder)trans-108.4153.3175.2-51.5177.3000110.5S105 T142 Y143 L144 R161 I162S105-L165 WeakPolarHBondContact O-CD1 3.33Å; T142-L165 HydrophobicContact CG2-CB 3.94Å; T142-L165 HydrophobicContact CG2-CD1 4.41Å; Y143-L165 CarbonylContact O-C 3.51Å; Y143-L165 WeakPolarHBondContact O-CA 3.41Å; L144-L165 HydrophobicContact CD1-CD2 4.4Å; R161-L165 WeakPolarHBondContact CA-O 3.15Å; I162-L165 HydrophobicContact CB-CB 4.37Å; I162-L165 PolarHBondContact N-O 2.73Å; I162-L165 WeakPolarHBondContact O-CB 2.97Å; I162-L165 PolarHBondContact O-N 3.3Å
166L98.8Very high98.4Very high28 Ų2855.7 Ų55.715%0.14728%0.283CS..EExtended strand (participates in β ladder)trans-125.4130.5-179.8-62.3176.9000110.7Y143 L149 L154 I159 N160 R161Y143-L166 PolarHBondContact N-O 3.48Å; Y143-L166 PolarHBondContact O-N 2.99Å; L149-L166 HydrophobicContact CD1-CD1 3.92Å; L149-L166 HydrophobicContact CD1-CD2 3.93Å; L149-L166 HydrophobicContact CD1-CG 4.33Å; L154-L166 HydrophobicContact CD1-CD2 4.1Å; L154-L166 HydrophobicContact CD2-CD2 4Å; I159-L166 HydrophobicContact CG2-CB 3.96Å; I159-L166 HydrophobicContact CG2-CD2 3.87Å; I159-L166 HydrophobicContact CG2-CG 4.33Å; N160-L166 WeakPolarHBondContact O-CA 3.44Å; R161-L166 HydrophobicContact CB-CD2 4.14Å; R161-L166 HydrophobicContact CG-CD2 4.3Å
167V98.6Very high98.4Very high2 Ų255.5 Ų55.51%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-123.6108.6177.8-173.50000108.6T142 N160 I162 N171 Y172T142-V167 HydrophobicContact CG2-CG2 3.9Å; N160-V167 PolarHBondContact N-O 2.93Å; N160-V167 PolarHBondContact ND2-O 2.58Å; N160-V167 PolarHBondContact O-N 3.46Å; I162-V167 HydrophobicContact CD1-CG2 3.8Å; I162-V167 HydrophobicContact CG1-CG2 4.48Å; V167-N171 HydrophobicContact CG1-CB 4.01Å; V167-Y172 HydrophobicContact CB-CE2 4.36Å; V167-Y172 HydrophobicContact CG1-CD2 4.43Å; V167-Y172 HydrophobicContact CG1-CE2 3.63Å
168P98.6Very high98.5Very high33 Ų3349.4 Ų49.421%0.21426%0.26CS..EExtended strand (participates in β ladder)trans-59.3144.1174.3-23.534.5000112.1Y143 D170 N171Y143-P168 HydrophobicContact CD2-CG 4.23Å; Y143-P168 HydrophobicContact CE2-CG 4Å; P168-D170 PolarHBondContact O-N 2.83Å; P168-N171 VanDerWaalsContact O-CB 3.24Å; P168-N171 WeakPolarHBondContact O-CB 3.4Å; P168-N171 PolarHBondContact O-N 2.72Å; P168-N171 VanDerWaalsContact O-N 3.07Å
169N97.6Very high98.5Very high53 Ų5348.4 Ų48.428%0.28325%0.249SC..Hα-helixtrans-57.3-34176.5-90.9-2.2000112.9G158 N160 N171 Y172 C173G158-N169 VanDerWaalsContact O-CB 3.28Å; G158-N169 WeakPolarHBondContact O-CB 3.34Å; G158-N169 PolarHBondContact O-N 2.96Å; N160-N169 PolarHBondContact ND2-OD1 3.34Å; N160-N169 PolarHBondContact OD1-OD1 3.42Å; N169-N171 PolarHBondContact O-N 3.35Å; N169-Y172 WeakPolarHBondContact O-CA 3.32Å; N169-Y172 WeakPolarHBondContact O-CB 3.26Å; N169-Y172 PolarHBondContact O-N 3.19Å; N169-C173 PolarHBondContact O-N 3.04Å
170D97.9Very high98.5Very high116 Ų11648 Ų4862%0.6225%0.248SC*.Hα-helixtrans-56.1-25.5178-64.3-8.1000112.6P168 Y172 C173 K174P168-D170 PolarHBondContact O-N 2.83Å; D170-Y172 VanDerWaalsContact C-N 3.32Å; D170-C173 PolarHBondContact O-N 3.04Å; D170-K174 WeakPolarHBondContact O-CG 3.34Å; D170-K174 PolarHBondContact O-N 3.39Å
171N98.5Very high98.5Very high8 Ų849.5 Ų49.54%0.04326%0.26CS..Hα-helixtrans-62.3-40.8173.4-67.227.1000111.4I136 A140 H141 V167 P168 N169 F175I136-N171 HydrophobicContact CG2-CB 3.73Å; A140-N171 HydrophobicContact CB-CB 4.13Å; A140-N171 VanDerWaalsContact CB-CG 3.4Å; A140-N171 VanDerWaalsContact CB-OD1 3.31Å; A140-N171 WeakPolarHBondContact CB-OD1 3.44Å; H141-N171 PolarHBondContact O-ND2 3.39Å; V167-N171 HydrophobicContact CG1-CB 4.01Å; P168-N171 VanDerWaalsContact O-CB 3.24Å; P168-N171 WeakPolarHBondContact O-CB 3.4Å; P168-N171 PolarHBondContact O-N 2.72Å; P168-N171 VanDerWaalsContact O-N 3.07Å; N169-N171 PolarHBondContact O-N 3.35Å; N171-F175 PolarHBondContact O-N 2.76Å; N171-F175 VanDerWaalsContact O-N 3.08Å
172Y98.2Very high98.5Very high45 Ų4545.3 Ų45.318%0.17625%0.245CC..Hα-helixtrans-76-31.3178.5-62.4-78.9000112.1I136 N160 V167 N169 D170 F175 E176 S236I136-Y172 HydrophobicContact CD1-CD1 3.76Å; I136-Y172 HydrophobicContact CD1-CE1 3.64Å; N160-Y172 WeakPolarHBondContact ND2-CE2 3.33Å; V167-Y172 HydrophobicContact CB-CE2 4.36Å; V167-Y172 HydrophobicContact CG1-CD2 4.43Å; V167-Y172 HydrophobicContact CG1-CE2 3.63Å; N169-Y172 WeakPolarHBondContact O-CA 3.32Å; N169-Y172 WeakPolarHBondContact O-CB 3.26Å; N169-Y172 PolarHBondContact O-N 3.19Å; D170-Y172 VanDerWaalsContact C-N 3.32Å; Y172-F175 WeakPolarHBondContact O-CB 3.27Å; Y172-F175 PolarHBondContact O-N 3.24Å; Y172-E176 PolarHBondContact O-N 2.87Å; Y172-S236 VanDerWaalsContact CD1-OG 3.3Å; Y172-S236 WeakPolarHBondContact CD1-OG 3.25Å
173C98.1Very high98.5Very high65 Ų6543.4 Ų43.444%0.43924%0.235SC..Hα-helixtrans-63.6-44.7170.7-61.20000111.3N169 D170 F175 E176 D177N169-C173 PolarHBondContact O-N 3.04Å; D170-C173 PolarHBondContact O-N 3.04Å; C173-F175 PolarHBondContact O-N 3.17Å; C173-E176 WeakPolarHBondContact O-CB 3.44Å; C173-E176 PolarHBondContact O-N 2.82Å; C173-D177 PolarHBondContact O-N 3.36Å
174K98.6Very high98.5Very high102 Ų10245.3 Ų45.344%0.44324%0.239SC..Hα-helixtrans-61.4-35.4173.2-71.8173.8174.4-174.70112.6L139 A140 D170 W178L139-K174 HydrophobicContact CB-CB 4.35Å; L139-K174 HydrophobicContact CD1-CB 4.47Å; L139-K174 PolarHBondContact O-NZ 3.25Å; A140-K174 HydrophobicContact CB-CD 4.12Å; D170-K174 WeakPolarHBondContact O-CG 3.34Å; D170-K174 PolarHBondContact O-N 3.39Å; K174-W178 WeakPolarHBondContact O-CB 3.3Å; K174-W178 PolarHBondContact O-N 2.9Å; K174-W178 VanDerWaalsContact O-N 3.09Å
175F98.7Very high98.6Very high0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-67.3-41.7176.5-175-117.3000112E132 F135 I136 L139 N171 Y172 C173 W178 L179 L237 M240E132-F175 HydrophobicContact CB-CE1 4.22Å; E132-F175 HydrophobicContact CB-CZ 3.99Å; F135-F175 HydrophobicContact CB-CE2 3.95Å; I136-F175 HydrophobicContact CD1-CB 4.43Å; I136-F175 HydrophobicContact CD1-CD1 4.33Å; I136-F175 HydrophobicContact CD1-CD2 4.5Å; I136-F175 HydrophobicContact CD1-CG 4.18Å; I136-F175 HydrophobicContact CG1-CB 3.85Å; I136-F175 HydrophobicContact CG1-CD1 4.33Å; I136-F175 HydrophobicContact CG1-CD2 3.7Å; I136-F175 HydrophobicContact CG1-CE2 4.31Å; I136-F175 HydrophobicContact CG1-CG 3.7Å; L139-F175 HydrophobicContact CD1-CB 4.4Å; L139-F175 HydrophobicContact CD1-CD2 4.32Å; N171-F175 PolarHBondContact O-N 2.76Å; N171-F175 VanDerWaalsContact O-N 3.08Å; Y172-F175 WeakPolarHBondContact O-CB 3.27Å; Y172-F175 PolarHBondContact O-N 3.24Å; C173-F175 PolarHBondContact O-N 3.17Å; F175-W178 AromaticContact CD2-CE3 3.86Å; F175-W178 HydrophobicContact CD2-CE3 3.86Å; F175-W178 HydrophobicContact CD2-CZ3 4.18Å; F175-W178 AromaticContact CE2-CE3 3.77Å; F175-W178 HydrophobicContact CE2-CE3 3.77Å; F175-W178 AromaticContact CE2-CZ3 3.61Å; F175-W178 HydrophobicContact CE2-CZ3 3.61Å; F175-W178 HydrophobicContact CZ-CZ3 4.49Å; F175-W178 PolarHBondContact O-N 3.4Å; F175-L179 HydrophobicContact CE1-CD2 3.8Å; F175-L179 HydrophobicContact CZ-CD2 3.87Å; F175-L179 WeakPolarHBondContact O-CB 3.32Å; F175-L179 PolarHBondContact O-N 2.85Å; F175-L237 HydrophobicContact CE1-CD1 4.46Å; F175-L237 HydrophobicContact CZ-CD1 4.18Å; F175-M240 HydrophobicContact CD1-CG 4.21Å; F175-M240 HydrophobicContact CE1-CG 4.29Å
176E98.5Very high98.6Very high60 Ų6044.7 Ų44.728%0.2823%0.233SC..Hα-helixtrans-56.3-52.3171.7-177.6177.7-179.300111.1Y172 C173 W178 L179 M180 M240Y172-E176 PolarHBondContact O-N 2.87Å; C173-E176 WeakPolarHBondContact O-CB 3.44Å; C173-E176 PolarHBondContact O-N 2.82Å; E176-W178 PolarHBondContact O-N 3.08Å; E176-L179 PolarHBondContact O-N 2.71Å; E176-M180 HydrophobicContact CG-CE 3.82Å; E176-M180 HydrophobicContact CG-CG 3.87Å; E176-M180 WeakPolarHBondContact O-CB 3.38Å; E176-M180 VanDerWaalsContact O-CG 3.24Å; E176-M180 WeakPolarHBondContact O-CG 3.32Å; E176-M180 PolarHBondContact O-N 2.91Å; E176-M240 HydrophobicContact CB-CE 4.12Å; E176-M240 HydrophobicContact CB-SD 3.54Å; E176-M240 VanDerWaalsContact CB-SD 3.54Å; E176-M240 HydrophobicContact CG-SD 3.63Å
177D98.6Very high98.6Very high123 Ų12344 Ų4466%0.65823%0.229SC*.Hα-helixtrans-57.6-38.3-179.3-71-22.8000112.3C173 P181C173-D177 PolarHBondContact O-N 3.36Å; D177-P181 WeakPolarHBondContact O-CD 3.43Å
178W98.8Very high98.6Very high49 Ų4948 Ų4819%0.18625%0.25CS..Hα-helixtrans-74.4-41.2177.7173.475.5000112.9F135 L139 K174 F175 E176 I182 L206 E209 I210F135-W178 HydrophobicContact CB-CH2 4.35Å; F135-W178 HydrophobicContact CB-CZ3 4.2Å; F135-W178 HydrophobicContact CD1-CH2 4.17Å; F135-W178 HydrophobicContact CD2-CH2 4.43Å; F135-W178 HydrophobicContact CG-CH2 4.08Å; F135-W178 HydrophobicContact CG-CZ3 4.28Å; L139-W178 HydrophobicContact CD1-CB 3.99Å; L139-W178 HydrophobicContact CD1-CG 4.29Å; L139-W178 HydrophobicContact CD2-CG 4.49Å; K174-W178 WeakPolarHBondContact O-CB 3.3Å; K174-W178 PolarHBondContact O-N 2.9Å; K174-W178 VanDerWaalsContact O-N 3.09Å; F175-W178 AromaticContact CD2-CE3 3.86Å; F175-W178 HydrophobicContact CD2-CE3 3.86Å; F175-W178 HydrophobicContact CD2-CZ3 4.18Å; F175-W178 AromaticContact CE2-CE3 3.77Å; F175-W178 HydrophobicContact CE2-CE3 3.77Å; F175-W178 AromaticContact CE2-CZ3 3.61Å; F175-W178 HydrophobicContact CE2-CZ3 3.61Å; F175-W178 HydrophobicContact CZ-CZ3 4.49Å; F175-W178 PolarHBondContact O-N 3.4Å; E176-W178 PolarHBondContact O-N 3.08Å; W178-I182 HydrophobicContact CD2-CD1 4.02Å; W178-I182 HydrophobicContact CE3-CD1 4.34Å; W178-I182 HydrophobicContact CH2-CD1 4.01Å; W178-I182 HydrophobicContact CZ2-CD1 3.62Å; W178-I182 HydrophobicContact CZ3-CD1 4.33Å; W178-I182 WeakPolarHBondContact O-CD1 3.41Å; W178-L206 HydrophobicContact CH2-CB 4.13Å; W178-L206 HydrophobicContact CH2-CD2 3.84Å; W178-L206 HydrophobicContact CH2-CG 4.47Å; W178-L206 HydrophobicContact CZ3-CD2 4.15Å; W178-E209 HydrophobicContact CZ2-CB 4.03Å; W178-I210 HydrophobicContact CD2-CD1 4.37Å; W178-I210 HydrophobicContact CH2-CB 4.43Å; W178-I210 HydrophobicContact CH2-CD1 4.27Å; W178-I210 HydrophobicContact CZ2-CB 3.87Å; W178-I210 HydrophobicContact CZ2-CD1 3.7Å; W178-I210 HydrophobicContact CZ2-CG1 4.39Å
179L98.8Very high98.6Very high0 Ų047.6 Ų47.60%025%0.246CC..Hα-helixtrans-82.8-36.4-169.3-179.263.8000113.3F175 E176 I182 L183 L206 L237 M240F175-L179 HydrophobicContact CE1-CD2 3.8Å; F175-L179 HydrophobicContact CZ-CD2 3.87Å; F175-L179 WeakPolarHBondContact O-CB 3.32Å; F175-L179 PolarHBondContact O-N 2.85Å; E176-L179 PolarHBondContact O-N 2.71Å; L179-I182 WeakPolarHBondContact O-CA 3.44Å; L179-I182 WeakPolarHBondContact O-CB 3.35Å; L179-I182 PolarHBondContact O-N 3.35Å; L179-L183 HydrophobicContact CD1-CD2 4.27Å; L179-L183 HydrophobicContact CD1-CG 4.19Å; L179-L183 HydrophobicContact CD2-CD1 4.25Å; L179-L183 HydrophobicContact CG-CD1 4Å; L179-L183 HydrophobicContact CG-CD2 4.46Å; L179-L183 HydrophobicContact CG-CG 3.97Å; L179-L183 PolarHBondContact O-N 3.07Å; L179-L206 HydrophobicContact CD1-CD1 4.36Å; L179-L206 HydrophobicContact CD1-CD2 3.54Å; L179-L237 HydrophobicContact CD1-CD1 4.18Å; L179-L237 HydrophobicContact CD2-CD1 3.35Å; L179-L237 HydrophobicContact CG-CD1 4.41Å; L179-M240 HydrophobicContact CD2-CB 3.48Å; L179-M240 VanDerWaalsContact CD2-CB 3.48Å; L179-M240 HydrophobicContact CD2-CG 3.83Å; L179-M240 HydrophobicContact CG-CB 4.49Å
180M98.6Very high98.6Very high23 Ų2346.7 Ų46.711%0.11324%0.24CC..Hα-helixtrans-55.3-46.9-173.8-73.6-72.4172.700113.6E176 I182 L183 D184 M240 F243 H244E176-M180 HydrophobicContact CG-CE 3.82Å; E176-M180 HydrophobicContact CG-CG 3.87Å; E176-M180 WeakPolarHBondContact O-CB 3.38Å; E176-M180 VanDerWaalsContact O-CG 3.24Å; E176-M180 WeakPolarHBondContact O-CG 3.32Å; E176-M180 PolarHBondContact O-N 2.91Å; M180-I182 PolarHBondContact O-N 2.95Å; M180-L183 PolarHBondContact O-N 3.27Å; M180-D184 PolarHBondContact O-N 3.28Å; M180-D184 VanDerWaalsContact O-N 3.08Å; M180-M240 HydrophobicContact CE-CB 4.14Å; M180-M240 WeakPolarHBondContact CE-O 3.35Å; M180-M240 HydrophobicContact CE-SD 3.98Å; M180-F243 HydrophobicContact CE-CB 3.97Å; M180-H244 HydrophobicContact SD-CB 3.97Å
181P98.7Very high98.6Very high78 Ų7846.3 Ų46.351%0.50624%0.237SC..Hα-helixtrans-63.2-29.9176.7-21.734000113.4D177 Q185D177-P181 WeakPolarHBondContact O-CD 3.43Å; P181-Q185 PolarHBondContact O-N 3.15Å
182I98.8Very high98.6Very high13 Ų1350.4 Ų50.47%0.06726%0.263CS..Hα-helixtrans-71.2-41.6177.7-55.9167.8000109.8W178 L179 M180 D184 Q185 M186 R205 L206 E209W178-I182 HydrophobicContact CD2-CD1 4.02Å; W178-I182 HydrophobicContact CE3-CD1 4.34Å; W178-I182 HydrophobicContact CH2-CD1 4.01Å; W178-I182 HydrophobicContact CZ2-CD1 3.62Å; W178-I182 HydrophobicContact CZ3-CD1 4.33Å; W178-I182 WeakPolarHBondContact O-CD1 3.41Å; L179-I182 WeakPolarHBondContact O-CA 3.44Å; L179-I182 WeakPolarHBondContact O-CB 3.35Å; L179-I182 PolarHBondContact O-N 3.35Å; M180-I182 PolarHBondContact O-N 2.95Å; I182-D184 VanDerWaalsContact C-N 3.33Å; I182-D184 PolarHBondContact O-N 3.1Å; I182-Q185 PolarHBondContact O-N 2.65Å; I182-M186 HydrophobicContact CG2-CG 4.38Å; I182-M186 HydrophobicContact CG2-SD 4.21Å; I182-M186 WeakPolarHBondContact O-CG 3.29Å; I182-M186 PolarHBondContact O-N 2.9Å; I182-R205 HydrophobicContact CG2-CG 4.35Å; I182-L206 HydrophobicContact CD1-CD2 4.17Å; I182-L206 HydrophobicContact CG2-CD2 3.95Å; I182-E209 HydrophobicContact CD1-CB 3.68Å; I182-E209 HydrophobicContact CD1-CG 3.95Å; I182-E209 HydrophobicContact CG1-CB 4.41Å; I182-E209 HydrophobicContact CG1-CG 4.19Å; I182-E209 HydrophobicContact CG2-CG 4.09Å
183L98.9Very high98.6Very high0 Ų054.5 Ų54.50%028%0.284CS..Hα-helixtrans-63.4-38.2176-64178.3000112.1L179 M180 Q185 M186 L187 M202 M240 I241 H244 L251L179-L183 HydrophobicContact CD1-CD2 4.27Å; L179-L183 HydrophobicContact CD1-CG 4.19Å; L179-L183 HydrophobicContact CD2-CD1 4.25Å; L179-L183 HydrophobicContact CG-CD1 4Å; L179-L183 HydrophobicContact CG-CD2 4.46Å; L179-L183 HydrophobicContact CG-CG 3.97Å; L179-L183 PolarHBondContact O-N 3.07Å; M180-L183 PolarHBondContact O-N 3.27Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 2.74Å; L183-M186 HydrophobicContact CD2-SD 4.24Å; L183-M186 PolarHBondContact O-N 3.02Å; L183-L187 WeakPolarHBondContact O-CB 3.32Å; L183-L187 PolarHBondContact O-N 3.28Å; L183-M202 HydrophobicContact CD2-CE 3.53Å; L183-M240 HydrophobicContact CD1-CB 4.46Å; L183-I241 HydrophobicContact CD1-CG1 4.42Å; L183-I241 HydrophobicContact CD2-CG1 4.31Å; L183-H244 HydrophobicContact CD1-CB 3.76Å; L183-L251 HydrophobicContact CD2-CD2 3.97Å
184D98.8Very high98.6Very high68 Ų6854.2 Ų54.236%0.36429%0.291SS..Hα-helixtrans-58.4-46.6173.1-71.7-21.2000111.3M180 I182 L187 L188 H244 N248M180-D184 PolarHBondContact O-N 3.28Å; M180-D184 VanDerWaalsContact O-N 3.08Å; I182-D184 VanDerWaalsContact C-N 3.33Å; I182-D184 PolarHBondContact O-N 3.1Å; D184-L187 PolarHBondContact O-N 3.02Å; D184-L188 PolarHBondContact O-N 3.32Å; D184-H244 PolarHBondContact N-NE2 3.2Å; D184-H244 IonicContact OD1-CD2 2.74Å; D184-H244 PolarHBondContact OD1-CD2 3.43Å; D184-H244 IonicContact OD1-CE1 2.64Å; D184-H244 IonicContact OD1-NE2 2.9Å; D184-H244 PolarHBondContact OD1-NE2 3.38Å; D184-N248 PolarHBondContact OD1-ND2 3.31Å
185Q98.8Very high98.5Very high72 Ų7252.1 Ų52.134%0.33628%0.284SS..Hα-helixtrans-68-40.8179.2-176.156.644.100112.1P181 I182 L183 L187 L188 E189P181-Q185 PolarHBondContact O-N 3.15Å; I182-Q185 PolarHBondContact O-N 2.65Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 2.74Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 3.12Å; Q185-L188 WeakPolarHBondContact O-CB 3.47Å; Q185-L188 PolarHBondContact O-N 2.72Å; Q185-E189 VanDerWaalsContact CG-OE1 3.24Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.49Å; Q185-E189 PolarHBondContact NE2-OE1 2.95Å; Q185-E189 WeakPolarHBondContact O-CG 3.35Å; Q185-E189 PolarHBondContact O-N 3.04Å
186M98.8Very high98.5Very high0 Ų059.1 Ų59.10%031%0.311CS..Hα-helixtrans-60.5-42.3174.7-74.3175.762.700112I182 L183 E189 Q190 W197 M202 R205 L251I182-M186 HydrophobicContact CG2-CG 4.38Å; I182-M186 HydrophobicContact CG2-SD 4.21Å; I182-M186 WeakPolarHBondContact O-CG 3.29Å; I182-M186 PolarHBondContact O-N 2.9Å; L183-M186 HydrophobicContact CD2-SD 4.24Å; L183-M186 PolarHBondContact O-N 3.02Å; M186-E189 PolarHBondContact O-N 3.25Å; M186-Q190 WeakPolarHBondContact O-CB 3.38Å; M186-Q190 PolarHBondContact O-N 2.94Å; M186-W197 HydrophobicContact CB-CZ2 3.89Å; M186-W197 HydrophobicContact CE-CD2 3.65Å; M186-W197 HydrophobicContact CE-CE3 3.85Å; M186-W197 HydrophobicContact CE-CG 3.98Å; M186-W197 HydrophobicContact CE-CZ2 4.41Å; M186-W197 HydrophobicContact CE-CZ3 4.33Å; M186-W197 HydrophobicContact CG-CH2 4.14Å; M186-W197 HydrophobicContact CG-CZ2 3.75Å; M186-W197 PolarHBondContact O-NE1 3.46Å; M186-M202 HydrophobicContact CE-CB 3.86Å; M186-M202 HydrophobicContact CE-CE 4.25Å; M186-M202 HydrophobicContact CE-CG 3.63Å; M186-M202 HydrophobicContact CE-SD 4.05Å; M186-M202 HydrophobicContact SD-CE 4.3Å; M186-M202 HydrophobicContact SD-CG 4.21Å; M186-R205 HydrophobicContact CG-CG 4.41Å; M186-R205 HydrophobicContact SD-CG 4.45Å; M186-L251 HydrophobicContact CB-CD1 4.25Å
187L98.8Very high98.5Very high13 Ų1357.1 Ų57.17%0.06830%0.301CS..Hα-helixtrans-66.3-40.2176.7179.762.4000111.6L183 D184 Q185 Q190 N191 N248 L251L183-L187 WeakPolarHBondContact O-CB 3.32Å; L183-L187 PolarHBondContact O-N 3.28Å; D184-L187 PolarHBondContact O-N 3.02Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 3.12Å; L187-Q190 WeakPolarHBondContact O-CB 3.24Å; L187-Q190 PolarHBondContact O-N 3.13Å; L187-N191 WeakPolarHBondContact O-CB 3.47Å; L187-N191 VanDerWaalsContact O-CG 3.25Å; L187-N191 PolarHBondContact O-N 3.26Å; L187-N191 PolarHBondContact O-ND2 3.35Å; L187-N248 HydrophobicContact CD2-CB 3.75Å; L187-N248 WeakPolarHBondContact CD2-O 3.24Å; L187-L251 HydrophobicContact CD1-CB 4.25Å
188L98.8Very high98.6Very high87 Ų8751.3 Ų51.346%0.45527%0.269SS..Hα-helixtrans-59.7-48.6175.3-179.665.2000111.1D184 Q185 Q190 N191 T192D184-L188 PolarHBondContact O-N 3.32Å; Q185-L188 WeakPolarHBondContact O-CB 3.47Å; Q185-L188 PolarHBondContact O-N 2.72Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 3.46Å; L188-N191 PolarHBondContact O-N 3.04Å; L188-N191 VanDerWaalsContact O-N 3.17Å; L188-T192 HydrophobicContact CD1-CG2 3.76Å; L188-T192 HydrophobicContact CG-CG2 4.48Å; L188-T192 WeakPolarHBondContact O-CB 3.44Å; L188-T192 PolarHBondContact O-N 3.28Å; L188-T192 PolarHBondContact O-OG1 3.38Å
189E98.8Very high98.6Very high25 Ų2549 Ų4912%0.11726%0.261CS..Hα-helixtrans-61.1-40.7177.3-72.2165.2-160.500111.5Q185 M186 N191 E193 G194 I195 W197 R205Q185-E189 VanDerWaalsContact CG-OE1 3.24Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.49Å; Q185-E189 PolarHBondContact NE2-OE1 2.95Å; Q185-E189 WeakPolarHBondContact O-CG 3.35Å; Q185-E189 PolarHBondContact O-N 3.04Å; M186-E189 PolarHBondContact O-N 3.25Å; E189-N191 VanDerWaalsContact C-N 3.32Å; E189-N191 PolarHBondContact O-N 2.97Å; E189-E193 CarbonylContact O-C 3.59Å; E189-E193 WeakPolarHBondContact O-CA 3.34Å; E189-E193 VanDerWaalsContact O-CB 3.32Å; E189-E193 WeakPolarHBondContact O-CB 3.37Å; E189-E193 PolarHBondContact O-N 3.23Å; E189-G194 PolarHBondContact O-N 3.03Å; E189-I195 HydrophobicContact CB-CG1 4.1Å; E189-I195 PolarHBondContact O-N 3.43Å; E189-W197 HydrophobicContact CB-CZ2 4.27Å; E189-W197 WeakPolarHBondContact OE2-CZ2 3.34Å; E189-R205 IonicContact OE1-CZ 2.72Å; E189-R205 IonicContact OE1-NH1 3.26Å; E189-R205 PolarHBondContact OE1-NH1 3.4Å; E189-R205 IonicContact OE1-NH2 2.87Å; E189-R205 IonicContact OE2-NH1 3.23Å; E189-R205 PolarHBondContact OE2-NH1 2.9Å
190Q98.7Very high98.6Very high34 Ų3449.3 Ų49.316%0.15926%0.263CS..Hα-helixtrans-58.8-45.2174.4-175.1-174.2-84.500111.5M186 L187 L188 G194 I195 G250M186-Q190 WeakPolarHBondContact O-CB 3.38Å; M186-Q190 PolarHBondContact O-N 2.94Å; L187-Q190 WeakPolarHBondContact O-CB 3.24Å; L187-Q190 PolarHBondContact O-N 3.13Å; L188-Q190 VanDerWaalsContact C-N 3.33Å; L188-Q190 PolarHBondContact O-N 3.46Å; Q190-G194 WeakPolarHBondContact O-CA 3.31Å; Q190-G194 PolarHBondContact O-N 2.98Å; Q190-I195 WeakPolarHBondContact CA-O 3.41Å; Q190-I195 WeakPolarHBondContact CG-O 3.14Å; Q190-G250 PolarHBondContact NE2-O 3.25Å
191N98.4Very high98.6Very high107 Ų10751.5 Ų51.557%0.57227%0.272SS*.Hα-helixtrans-80.8-27.8-173.5-68.2-21.2000113.8L187 L188 E189L187-N191 WeakPolarHBondContact O-CB 3.47Å; L187-N191 VanDerWaalsContact O-CG 3.25Å; L187-N191 PolarHBondContact O-N 3.26Å; L187-N191 PolarHBondContact O-ND2 3.35Å; L188-N191 PolarHBondContact O-N 3.04Å; L188-N191 VanDerWaalsContact O-N 3.17Å; E189-N191 VanDerWaalsContact C-N 3.32Å; E189-N191 PolarHBondContact O-N 2.97Å
192T98.4Very high98.6Very high94 Ų9447.8 Ų47.858%0.57725%0.248SC*.Hα-helixtrans-109.5-30.7-172.259.50000113.7L188L188-T192 HydrophobicContact CD1-CG2 3.76Å; L188-T192 HydrophobicContact CG-CG2 4.48Å; L188-T192 WeakPolarHBondContact O-CB 3.44Å; L188-T192 PolarHBondContact O-N 3.28Å; L188-T192 PolarHBondContact O-OG1 3.38Å
193E98.1Very high98.6Very high132 Ų13247.2 Ų47.262%0.61725%0.245SC*.Hα-helixtrans-108.1-8.7-178.3-56.4177.2-162.100112.2E189 I195E189-E193 CarbonylContact O-C 3.59Å; E189-E193 WeakPolarHBondContact O-CA 3.34Å; E189-E193 VanDerWaalsContact O-CB 3.32Å; E189-E193 WeakPolarHBondContact O-CB 3.37Å; E189-E193 PolarHBondContact O-N 3.23Å; E193-I195 VanDerWaalsContact C-N 3.33Å; E193-I195 HydrophobicContact CB-CG1 4.17Å
194G96.9Very high98.6Very high58 Ų5850.5 Ų50.560%0.59826%0.26SS*.  trans75.320.6179.600000113.7E189 Q190 R196E189-G194 PolarHBondContact O-N 3.03Å; Q190-G194 WeakPolarHBondContact O-CA 3.31Å; Q190-G194 PolarHBondContact O-N 2.98Å; G194-R196 PolarHBondContact O-N 3.36Å
195I97.9Very high98.6Very high58 Ų5849 Ų4930%0.29725%0.25SC..  trans-62.6122177.2-60-60.5000109.9E189 Q190 E193 W197E189-I195 HydrophobicContact CB-CG1 4.1Å; E189-I195 PolarHBondContact O-N 3.43Å; Q190-I195 WeakPolarHBondContact CA-O 3.41Å; Q190-I195 WeakPolarHBondContact CG-O 3.14Å; E193-I195 VanDerWaalsContact C-N 3.33Å; E193-I195 HydrophobicContact CB-CG1 4.17Å; I195-W197 HydrophobicContact CB-CZ2 4.39Å; I195-W197 HydrophobicContact CG2-CD2 3.76Å; I195-W197 HydrophobicContact CG2-CE3 4.1Å; I195-W197 HydrophobicContact CG2-CG 4.3Å; I195-W197 HydrophobicContact CG2-CH2 4.01Å; I195-W197 HydrophobicContact CG2-CZ2 3.68Å; I195-W197 HydrophobicContact CG2-CZ3 4.22Å
196R98.3Very high98.6Very high148 Ų14845.6 Ų45.656%0.55823%0.233SC*.  trans-91.2105.9169.3-71-178.956.2-152.4-7.6109.7G194 K201 D254G194-R196 PolarHBondContact O-N 3.36Å; R196-K201 VanDerWaalsContact O-CD 3.22Å; R196-K201 WeakPolarHBondContact O-CD 3.49Å; R196-K201 PolarHBondContact O-NZ 3.28Å; R196-D254 IonicContact CZ-OD2 3.63Å; R196-D254 IonicContact NH2-OD2 3.79Å; R196-D254 PolarHBondContact NH2-OD2 3.06Å
197W98.8Very high98.6Very high18 Ų1845.6 Ų45.67%0.06823%0.233CC..  trans-74.6140.5178.5-64109.4000111.7M186 E189 I195 K201 R205 L251 V252 L253 D254M186-W197 HydrophobicContact CB-CZ2 3.89Å; M186-W197 HydrophobicContact CE-CD2 3.65Å; M186-W197 HydrophobicContact CE-CE3 3.85Å; M186-W197 HydrophobicContact CE-CG 3.98Å; M186-W197 HydrophobicContact CE-CZ2 4.41Å; M186-W197 HydrophobicContact CE-CZ3 4.33Å; M186-W197 HydrophobicContact CG-CH2 4.14Å; M186-W197 HydrophobicContact CG-CZ2 3.75Å; M186-W197 PolarHBondContact O-NE1 3.46Å; E189-W197 HydrophobicContact CB-CZ2 4.27Å; E189-W197 WeakPolarHBondContact OE2-CZ2 3.34Å; I195-W197 HydrophobicContact CB-CZ2 4.39Å; I195-W197 HydrophobicContact CG2-CD2 3.76Å; I195-W197 HydrophobicContact CG2-CE3 4.1Å; I195-W197 HydrophobicContact CG2-CG 4.3Å; I195-W197 HydrophobicContact CG2-CH2 4.01Å; I195-W197 HydrophobicContact CG2-CZ2 3.68Å; I195-W197 HydrophobicContact CG2-CZ3 4.22Å; W197-K201 HydrophobicContact CE3-CB 3.85Å; W197-K201 HydrophobicContact CZ3-CB 4.16Å; W197-R205 HydrophobicContact CZ3-CB 4.26Å; W197-L251 HydrophobicContact CG-CD1 4.47Å; W197-V252 WeakPolarHBondContact CB-O 3.38Å; W197-L253 HydrophobicContact CB-CD2 3.72Å; W197-L253 WeakPolarHBondContact O-CA 3.14Å; W197-D254 PolarHBondContact O-N 3.07Å
198T98.9Very high98.6Very high0 Ų050.1 Ų50.10%025%0.253CS..  trans-127.2163.3169.471.50000107.7S200 K201 M202 D254 E257 D258T198-S200 VanDerWaalsContact C-N 3.28Å; T198-S200 PolarHBondContact O-N 2.89Å; T198-S200 PolarHBondContact OG1-OG 2.85Å; T198-K201 HydrophobicContact CG2-CD 4.15Å; T198-K201 PolarHBondContact O-N 3.49Å; T198-K201 WeakPolarHBondContact OG1-CG 3.46Å; T198-K201 PolarHBondContact OG1-N 3.45Å; T198-M202 PolarHBondContact O-N 3.19Å; T198-D254 WeakPolarHBondContact CA-O 3.32Å; T198-D254 VanDerWaalsContact CB-O 3.26Å; T198-D254 WeakPolarHBondContact CB-O 3.36Å; T198-D254 WeakPolarHBondContact CG2-O 3.38Å; T198-E257 HydrophobicContact CG2-CB 3.72Å; T198-E257 HydrophobicContact CG2-CG 4.06Å; T198-D258 WeakPolarHBondContact CB-OD1 3.38Å; T198-D258 PolarHBondContact OG1-OD1 2.6Å
199P98.9Very high98.6Very high2 Ų249.3 Ų49.31%0.01325%0.247CC..Hα-helixtrans-49.8-47.2173.1-29.535.9000113.2K201 M202 I203 S229 L232 D254 I255 D258P199-K201 PolarHBondContact O-N 3.28Å; P199-M202 PolarHBondContact O-N 3.31Å; P199-I203 WeakPolarHBondContact O-CD1 3.22Å; P199-I203 WeakPolarHBondContact O-CG1 3.5Å; P199-I203 PolarHBondContact O-N 3.15Å; P199-S229 VanDerWaalsContact CB-O 3.28Å; P199-S229 WeakPolarHBondContact CB-O 3.35Å; P199-L232 HydrophobicContact CB-CB 4.1Å; P199-L232 HydrophobicContact CB-CD2 3.87Å; P199-L232 HydrophobicContact CG-CB 4.36Å; P199-D254 VanDerWaalsContact CD-O 3.31Å; P199-D254 WeakPolarHBondContact CD-O 3.17Å; P199-I255 HydrophobicContact CG-CG2 4.19Å; P199-D258 WeakPolarHBondContact CB-OD2 3.31Å; P199-D258 WeakPolarHBondContact CD-OD2 3.43Å
200S98.9Very high98.6Very high6 Ų649 Ų494%0.04225%0.245CC..Hα-helixtrans-65.9-38.5-178.875.30000113.8T198 I203 H204 V227 D258T198-S200 VanDerWaalsContact C-N 3.28Å; T198-S200 PolarHBondContact O-N 2.89Å; T198-S200 PolarHBondContact OG1-OG 2.85Å; S200-I203 PolarHBondContact O-N 2.84Å; S200-H204 VanDerWaalsContact O-CB 3.29Å; S200-H204 WeakPolarHBondContact O-CB 3.3Å; S200-H204 PolarHBondContact O-N 2.91Å; S200-V227 WeakPolarHBondContact CA-O 3.34Å; S200-V227 WeakPolarHBondContact CB-O 3.44Å; S200-D258 WeakPolarHBondContact CB-OD1 3.33Å; S200-D258 WeakPolarHBondContact CB-OD2 3.47Å; S200-D258 PolarHBondContact N-OD2 3.44Å; S200-D258 PolarHBondContact OG-OD1 3.43Å
201K98.9Very high98.6Very high68 Ų6852.8 Ų52.830%0.29627%0.267SS..Hα-helixtrans-65.8-42.2174.6-72.3172.3174.5168.40111.8R196 W197 T198 P199 H204 R205 E257R196-K201 VanDerWaalsContact O-CD 3.22Å; R196-K201 WeakPolarHBondContact O-CD 3.49Å; R196-K201 PolarHBondContact O-NZ 3.28Å; W197-K201 HydrophobicContact CE3-CB 3.85Å; W197-K201 HydrophobicContact CZ3-CB 4.16Å; T198-K201 HydrophobicContact CG2-CD 4.15Å; T198-K201 PolarHBondContact O-N 3.49Å; T198-K201 WeakPolarHBondContact OG1-CG 3.46Å; T198-K201 PolarHBondContact OG1-N 3.45Å; P199-K201 PolarHBondContact O-N 3.28Å; K201-H204 PolarHBondContact O-N 3.21Å; K201-R205 WeakPolarHBondContact O-CB 3.14Å; K201-R205 PolarHBondContact O-N 2.65Å; K201-E257 WeakPolarHBondContact CE-OE1 3.39Å; K201-E257 VanDerWaalsContact NZ-CD 3.28Å; K201-E257 IonicContact NZ-OE1 2.73Å; K201-E257 PolarHBondContact NZ-OE1 3.32Å; K201-E257 IonicContact NZ-OE2 2.72Å; K201-E257 PolarHBondContact NZ-OE2 2.74Å; K201-E257 VanDerWaalsContact NZ-OE2 3.15Å
202M98.9Very high98.6Very high0 Ų049.8 Ų49.80%025%0.251CS..Hα-helixtrans-61.5-48.7175.2177.5173.2-164.900110.9L183 M186 T198 P199 H204 R205 L206 L232 L237 I241 L253L183-M202 HydrophobicContact CD2-CE 3.53Å; M186-M202 HydrophobicContact CE-CB 3.86Å; M186-M202 HydrophobicContact CE-CE 4.25Å; M186-M202 HydrophobicContact CE-CG 3.63Å; M186-M202 HydrophobicContact CE-SD 4.05Å; M186-M202 HydrophobicContact SD-CE 4.3Å; M186-M202 HydrophobicContact SD-CG 4.21Å; T198-M202 PolarHBondContact O-N 3.19Å; P199-M202 PolarHBondContact O-N 3.31Å; M202-H204 VanDerWaalsContact C-N 3.31Å; M202-H204 PolarHBondContact O-N 2.85Å; M202-R205 WeakPolarHBondContact O-CB 3.31Å; M202-R205 PolarHBondContact O-N 3.29Å; M202-R205 VanDerWaalsContact O-N 3.15Å; M202-L206 HydrophobicContact CE-CD1 4.23Å; M202-L206 HydrophobicContact CG-CD1 4.16Å; M202-L206 HydrophobicContact CG-CG 4.35Å; M202-L206 WeakPolarHBondContact O-CG 3.49Å; M202-L206 PolarHBondContact O-N 3.32Å; M202-L232 HydrophobicContact CB-CD2 4.35Å; M202-L232 HydrophobicContact CG-CD2 4.3Å; M202-L232 HydrophobicContact SD-CD2 3.79Å; M202-L237 HydrophobicContact CE-CD1 3.76Å; M202-L237 HydrophobicContact CE-CD2 4.41Å; M202-L237 HydrophobicContact CE-CG 4.33Å; M202-I241 HydrophobicContact CE-CD1 4.05Å; M202-I241 HydrophobicContact CE-CG1 4.32Å; M202-I241 HydrophobicContact SD-CD1 4.26Å; M202-L253 HydrophobicContact CB-CD2 4.29Å; M202-L253 HydrophobicContact SD-CD1 3.91Å; M202-L253 HydrophobicContact SD-CD2 4Å
203I98.9Very high98.6Very high2 Ų248.8 Ų48.81%0.0125%0.245CC..Hα-helixtrans-61.1-42178.8-64.2157.5000111I131 P199 S200 R205 L206 G207 Y217 V227 L232I131-I203 HydrophobicContact CD1-CD1 3.61Å; I131-I203 HydrophobicContact CD1-CG1 3.98Å; I131-I203 HydrophobicContact CD1-CG2 4.09Å; I131-I203 HydrophobicContact CG1-CD1 3.95Å; I131-I203 HydrophobicContact CG1-CG1 4.2Å; I131-I203 HydrophobicContact CG2-CG1 3.96Å; I131-I203 HydrophobicContact CG2-CG2 4.47Å; P199-I203 WeakPolarHBondContact O-CD1 3.22Å; P199-I203 WeakPolarHBondContact O-CG1 3.5Å; P199-I203 PolarHBondContact O-N 3.15Å; S200-I203 PolarHBondContact O-N 2.84Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 3.11Å; I203-L206 PolarHBondContact O-N 3.15Å; I203-G207 PolarHBondContact O-N 3.23Å; I203-Y217 HydrophobicContact CG2-CD1 3.93Å; I203-Y217 HydrophobicContact CG2-CG 4.12Å; I203-V227 HydrophobicContact CB-CB 4.44Å; I203-V227 HydrophobicContact CD1-CB 4.31Å; I203-V227 HydrophobicContact CD1-CG1 4.09Å; I203-V227 HydrophobicContact CG2-CB 3.77Å; I203-V227 HydrophobicContact CG2-CG1 4.03Å; I203-V227 HydrophobicContact CG2-CG2 4.16Å; I203-L232 HydrophobicContact CD1-CD1 4.18Å; I203-L232 HydrophobicContact CD1-CD2 4.45Å; I203-L232 HydrophobicContact CG1-CD1 4.27Å; I203-L232 HydrophobicContact CG1-CD2 4.25Å
204H98.9Very high98.6Very high69 Ų6946.9 Ų46.932%0.31924%0.239SC..Hα-helixtrans-61.3-42.3175.8-171.392.2000111.8S200 K201 M202 G207 K208 Y221S200-H204 VanDerWaalsContact O-CB 3.29Å; S200-H204 WeakPolarHBondContact O-CB 3.3Å; S200-H204 PolarHBondContact O-N 2.91Å; K201-H204 PolarHBondContact O-N 3.21Å; M202-H204 VanDerWaalsContact C-N 3.31Å; M202-H204 PolarHBondContact O-N 2.85Å; H204-G207 PolarHBondContact O-N 3.03Å; H204-K208 PolarHBondContact O-N 3.14Å; H204-K208 VanDerWaalsContact O-N 3.16Å; H204-Y221 AromaticContact CD2-CD2 3.63Å; H204-Y221 AromaticContact CE1-CD2 3.53Å; H204-Y221 AromaticContact ND1-CD2 3.98Å; H204-Y221 AromaticContact NE2-CD2 3.28Å; H204-Y221 VanDerWaalsContact NE2-CD2 3.28Å; H204-Y221 WeakPolarHBondContact NE2-CD2 3.42Å; H204-Y221 AromaticContact NE2-CE2 3.55Å
205R98.8Very high98.7Very high36 Ų3644.1 Ų44.114%0.13621%0.21CC..Hα-helixtrans-60.5-49.6172.7173.859.9179.7-95.18111.5I182 M186 E189 W197 K201 M202 I203 G207 K208 E209I182-R205 HydrophobicContact CG2-CG 4.35Å; M186-R205 HydrophobicContact CG-CG 4.41Å; M186-R205 HydrophobicContact SD-CG 4.45Å; E189-R205 IonicContact OE1-CZ 2.72Å; E189-R205 IonicContact OE1-NH1 3.26Å; E189-R205 PolarHBondContact OE1-NH1 3.4Å; E189-R205 IonicContact OE1-NH2 2.87Å; E189-R205 IonicContact OE2-NH1 3.23Å; E189-R205 PolarHBondContact OE2-NH1 2.9Å; W197-R205 HydrophobicContact CZ3-CB 4.26Å; K201-R205 WeakPolarHBondContact O-CB 3.14Å; K201-R205 PolarHBondContact O-N 2.65Å; M202-R205 WeakPolarHBondContact O-CB 3.31Å; M202-R205 PolarHBondContact O-N 3.29Å; M202-R205 VanDerWaalsContact O-N 3.15Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 3.11Å; R205-G207 VanDerWaalsContact C-N 3.31Å; R205-G207 PolarHBondContact O-N 3.06Å; R205-K208 VanDerWaalsContact O-CB 3.32Å; R205-K208 WeakPolarHBondContact O-CB 3.25Å; R205-K208 PolarHBondContact O-N 3.1Å; R205-K208 VanDerWaalsContact O-N 3.09Å; R205-E209 HydrophobicContact CG-CG 4.42Å; R205-E209 IonicContact CZ-OE1 3.64Å; R205-E209 VanDerWaalsContact CZ-OE1 3.23Å; R205-E209 IonicContact NE-OE1 2.65Å; R205-E209 PolarHBondContact NE-OE1 3.19Å; R205-E209 IonicContact NH2-OE1 3.48Å; R205-E209 PolarHBondContact NH2-OE1 3.15Å; R205-E209 WeakPolarHBondContact O-CG 3.47Å; R205-E209 PolarHBondContact O-N 3.04Å
206L98.9Very high98.8Very high0 Ų041.3 Ų41.30%020%0.196CC..Hα-helixtrans-63.1-36.6179.6-65.5-179000112.5F135 W178 L179 I182 M202 I203 K208 E209 I210 L237F135-L206 HydrophobicContact CD2-CB 4.4Å; F135-L206 HydrophobicContact CD2-CD1 4.37Å; F135-L206 HydrophobicContact CE1-CB 4.08Å; F135-L206 HydrophobicContact CE2-CB 3.54Å; F135-L206 HydrophobicContact CE2-CD1 3.81Å; F135-L206 HydrophobicContact CE2-CG 4.34Å; F135-L206 HydrophobicContact CZ-CB 3.36Å; F135-L206 HydrophobicContact CZ-CD1 4.48Å; W178-L206 HydrophobicContact CH2-CB 4.13Å; W178-L206 HydrophobicContact CH2-CD2 3.84Å; W178-L206 HydrophobicContact CH2-CG 4.47Å; W178-L206 HydrophobicContact CZ3-CD2 4.15Å; L179-L206 HydrophobicContact CD1-CD1 4.36Å; L179-L206 HydrophobicContact CD1-CD2 3.54Å; I182-L206 HydrophobicContact CD1-CD2 4.17Å; I182-L206 HydrophobicContact CG2-CD2 3.95Å; M202-L206 HydrophobicContact CE-CD1 4.23Å; M202-L206 HydrophobicContact CG-CD1 4.16Å; M202-L206 HydrophobicContact CG-CG 4.35Å; M202-L206 WeakPolarHBondContact O-CG 3.49Å; M202-L206 PolarHBondContact O-N 3.32Å; I203-L206 PolarHBondContact O-N 3.15Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 2.64Å; L206-E209 PolarHBondContact O-N 3.21Å; L206-I210 PolarHBondContact O-N 3.11Å; L206-L237 HydrophobicContact CD1-CD1 4.32Å; L206-L237 HydrophobicContact CD1-CD2 4.37Å
207G98.8Very high98.8Very high0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-60-38.2171.800000113.2I203 H204 R205 I210 Y217 Y218I203-G207 PolarHBondContact O-N 3.23Å; H204-G207 PolarHBondContact O-N 3.03Å; R205-G207 VanDerWaalsContact C-N 3.31Å; R205-G207 PolarHBondContact O-N 3.06Å; G207-I210 WeakPolarHBondContact O-CG2 3.33Å; G207-Y217 WeakPolarHBondContact CA-O 3.28Å; G207-Y218 WeakPolarHBondContact O-CA 3.25Å
208K98.8Very high98.8Very high109 Ų10934.7 Ų34.747%0.47417%0.171SC..Hα-helixtrans-66.4-47171.8-177.3-177.4177.8-171.80111.9H204 R205 L206 N211 Y221H204-K208 PolarHBondContact O-N 3.14Å; H204-K208 VanDerWaalsContact O-N 3.16Å; R205-K208 VanDerWaalsContact O-CB 3.32Å; R205-K208 WeakPolarHBondContact O-CB 3.25Å; R205-K208 PolarHBondContact O-N 3.1Å; R205-K208 VanDerWaalsContact O-N 3.09Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 2.64Å; K208-N211 PolarHBondContact O-N 2.83Å; K208-Y221 HydrophobicContact CB-CD1 3.9Å; K208-Y221 HydrophobicContact CB-CD2 3.88Å; K208-Y221 HydrophobicContact CB-CE1 3.73Å; K208-Y221 HydrophobicContact CB-CE2 3.77Å; K208-Y221 HydrophobicContact CB-CG 3.98Å; K208-Y221 HydrophobicContact CD-CE1 4.47Å; K208-Y221 HydrophobicContact CD-CE2 4.06Å; K208-Y221 HydrophobicContact CG-CD1 4.39Å; K208-Y221 HydrophobicContact CG-CE1 3.72Å; K208-Y221 HydrophobicContact CG-CE2 4.04Å
209E98.8Very high98.8Very high70 Ų7036.8 Ų36.833%0.32718%0.179SC..Hα-helixtrans-70-33.5-173.9-65.6-66.2174.300113.3W178 I182 R205 L206 N211W178-E209 HydrophobicContact CZ2-CB 4.03Å; I182-E209 HydrophobicContact CD1-CB 3.68Å; I182-E209 HydrophobicContact CD1-CG 3.95Å; I182-E209 HydrophobicContact CG1-CB 4.41Å; I182-E209 HydrophobicContact CG1-CG 4.19Å; I182-E209 HydrophobicContact CG2-CG 4.09Å; R205-E209 HydrophobicContact CG-CG 4.42Å; R205-E209 IonicContact CZ-OE1 3.64Å; R205-E209 VanDerWaalsContact CZ-OE1 3.23Å; R205-E209 IonicContact NE-OE1 2.65Å; R205-E209 PolarHBondContact NE-OE1 3.19Å; R205-E209 IonicContact NH2-OE1 3.48Å; R205-E209 PolarHBondContact NH2-OE1 3.15Å; R205-E209 WeakPolarHBondContact O-CG 3.47Å; R205-E209 PolarHBondContact O-N 3.04Å; L206-E209 PolarHBondContact O-N 3.21Å; E209-N211 PolarHBondContact O-N 3.31Å
210I98.8Very high98.8Very high17 Ų1736.8 Ų36.89%0.08718%0.179CC..Hα-helixtrans-67.2-29179.5-162.366.2000111.7F135 C138 L139 W178 L206 G207 N212F135-I210 HydrophobicContact CB-CD1 4.44Å; F135-I210 HydrophobicContact CD1-CB 3.78Å; F135-I210 HydrophobicContact CD1-CD1 4.36Å; F135-I210 HydrophobicContact CD1-CG1 3.93Å; F135-I210 HydrophobicContact CD1-CG2 3.88Å; F135-I210 HydrophobicContact CE1-CB 4.08Å; F135-I210 HydrophobicContact CE1-CG2 3.82Å; C138-I210 HydrophobicContact CB-CD1 3.91Å; C138-I210 HydrophobicContact CB-CG1 3.84Å; L139-I210 HydrophobicContact CD2-CD1 4.23Å; W178-I210 HydrophobicContact CD2-CD1 4.37Å; W178-I210 HydrophobicContact CH2-CB 4.43Å; W178-I210 HydrophobicContact CH2-CD1 4.27Å; W178-I210 HydrophobicContact CZ2-CB 3.87Å; W178-I210 HydrophobicContact CZ2-CD1 3.7Å; W178-I210 HydrophobicContact CZ2-CG1 4.39Å; L206-I210 PolarHBondContact O-N 3.11Å; G207-I210 WeakPolarHBondContact O-CG2 3.33Å; I210-N212 HydrophobicContact CG1-CB 4.33Å; I210-N212 PolarHBondContact O-N 3.15Å
211N98.4Very high98.8Very high115 Ų11539.4 Ų39.462%0.61519%0.189SC*.  trans41.943.2174.9-168.137.7000114.3K208 E209 Y218K208-N211 PolarHBondContact O-N 2.83Å; E209-N211 PolarHBondContact O-N 3.31Å; N211-Y218 WeakPolarHBondContact OD1-CE2 3.43Å
212N98.7Very high98.8Very high44 Ų4441.4 Ų41.424%0.23520%0.197CC..  trans-129.8123.7-176.2-173.5-30000109.7C138 I210 D214 S215 Y218C138-N212 HydrophobicContact CB-CB 4.3Å; I210-N212 HydrophobicContact CG1-CB 4.33Å; I210-N212 PolarHBondContact O-N 3.15Å; N212-D214 PolarHBondContact O-N 2.76Å; N212-D214 VanDerWaalsContact O-N 3.13Å; N212-D214 WeakPolarHBondContact OD1-CB 3.38Å; N212-D214 PolarHBondContact OD1-N 2.56Å; N212-S215 WeakPolarHBondContact O-CB 3.46Å; N212-S215 PolarHBondContact O-N 3.46Å; N212-Y218 WeakPolarHBondContact O-CB 3.49Å; N212-Y218 VanDerWaalsContact O-CG 3.32Å
213T98.7Very high98.7Very high73 Ų7342.9 Ų42.945%0.44821%0.205SC..THydrogen-bonded Turntrans-65.3-12.6-178.551.30000114S215 Y218 W219T213-S215 VanDerWaalsContact C-N 3.31Å; T213-Y218 HydrophobicContact CG2-CE1 3.89Å; T213-W219 HydrophobicContact CG2-CZ2 3.95Å; T213-W219 PolarHBondContact O-NE1 2.86Å
214D98.6Very high98.7Very high91 Ų9146.9 Ų46.949%0.48723%0.226SC..THydrogen-bonded Turntrans-81.3-13.4174.5-63.8-15.1000112.3R109 R113 N212R109-D214 VanDerWaalsContact CZ-O 3.25Å; R109-D214 PolarHBondContact NH1-O 3.19Å; R109-D214 PolarHBondContact NH2-O 3.27Å; R113-D214 WeakPolarHBondContact CD-O 3.42Å; N212-D214 PolarHBondContact O-N 2.76Å; N212-D214 VanDerWaalsContact O-N 3.13Å; N212-D214 WeakPolarHBondContact OD1-CB 3.38Å; N212-D214 PolarHBondContact OD1-N 2.56Å
215S98.9Very high98.7Very high0 Ų043.7 Ų43.70%021%0.212CC..  trans-81.9133179.7167.50000112.3D134 N212 T213 Y217 Y218 W219D134-S215 WeakPolarHBondContact OD2-CA 3.5Å; D134-S215 WeakPolarHBondContact OD2-CB 3.32Å; D134-S215 PolarHBondContact OD2-OG 3.25Å; N212-S215 WeakPolarHBondContact O-CB 3.46Å; N212-S215 PolarHBondContact O-N 3.46Å; T213-S215 VanDerWaalsContact C-N 3.31Å; S215-Y217 VanDerWaalsContact C-N 3.27Å; S215-Y217 PolarHBondContact O-N 3.31Å; S215-Y217 PolarHBondContact OG-N 3.42Å; S215-Y218 PolarHBondContact OG-N 3.33Å; S215-W219 VanDerWaalsContact O-CD1 3.23Å; S215-W219 PolarHBondContact O-N 3.37Å
216V98.9Very high98.7Very high0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-57.1-45.6167.71770000110.2I104 R109 I112 R113 A116 I124 D134 W219 A220I104-V216 HydrophobicContact CD1-CG2 4.04Å; R109-V216 HydrophobicContact CG-CG2 4.14Å; I112-V216 HydrophobicContact CB-CG2 4.4Å; I112-V216 HydrophobicContact CG2-CG1 3.8Å; I112-V216 HydrophobicContact CG2-CG2 4.03Å; R113-V216 HydrophobicContact CB-CG2 3.75Å; A116-V216 HydrophobicContact CB-CG1 4.2Å; I124-V216 HydrophobicContact CD1-CG1 4.39Å; D134-V216 VanDerWaalsContact CG-N 3.35Å; D134-V216 PolarHBondContact OD1-N 3.48Å; D134-V216 PolarHBondContact OD2-N 3.27Å; V216-W219 PolarHBondContact O-N 3.17Å; V216-A220 PolarHBondContact O-N 3Å
217Y98.9Very high98.7Very high1 Ų142.9 Ų42.90%0.00421%0.211CC..Hα-helixtrans-79.2-23.9-171.8-55.4-53.4000113.7Y99 G130 I131 D134 F135 I203 G207 S215 W219 A220 Y221 V227Y99-Y217 PolarHBondContact OH-OH 3.22Å; G130-Y217 VanDerWaalsContact C-OH 3.28Å; G130-Y217 VanDerWaalsContact O-CE2 3.3Å; G130-Y217 WeakPolarHBondContact O-CE2 3.3Å; G130-Y217 PolarHBondContact O-OH 2.64Å; I131-Y217 VanDerWaalsContact CA-CE2 3.44Å; I131-Y217 HydrophobicContact CB-CE2 4.37Å; I131-Y217 HydrophobicContact CD1-CD1 4.47Å; I131-Y217 HydrophobicContact CD1-CE1 3.76Å; I131-Y217 HydrophobicContact CD1-CE2 4.05Å; I131-Y217 HydrophobicContact CG2-CE2 4.37Å; I131-Y217 WeakPolarHBondContact O-CE2 3.39Å; D134-Y217 HydrophobicContact CB-CD2 3.65Å; D134-Y217 HydrophobicContact CB-CE2 3.36Å; D134-Y217 WeakPolarHBondContact OD2-CD2 3.38Å; D134-Y217 PolarHBondContact OD2-N 2.84Å; F135-Y217 HydrophobicContact CE1-CD2 4.01Å; F135-Y217 HydrophobicContact CE1-CG 4.31Å; F135-Y217 AromaticContact CE2-CD2 3.96Å; F135-Y217 HydrophobicContact CE2-CD2 3.96Å; F135-Y217 AromaticContact CZ-CD2 3.67Å; F135-Y217 HydrophobicContact CZ-CD2 3.67Å; F135-Y217 AromaticContact CZ-CG 3.92Å; F135-Y217 HydrophobicContact CZ-CG 3.92Å; I203-Y217 HydrophobicContact CG2-CD1 3.93Å; I203-Y217 HydrophobicContact CG2-CG 4.12Å; G207-Y217 WeakPolarHBondContact CA-O 3.28Å; S215-Y217 VanDerWaalsContact C-N 3.27Å; S215-Y217 PolarHBondContact O-N 3.31Å; S215-Y217 PolarHBondContact OG-N 3.42Å; Y217-W219 VanDerWaalsContact C-N 3.34Å; Y217-A220 PolarHBondContact O-N 3.42Å; Y217-Y221 VanDerWaalsContact O-CB 3.32Å; Y217-Y221 WeakPolarHBondContact O-CB 3.33Å; Y217-Y221 PolarHBondContact O-N 3.41Å; Y217-V227 HydrophobicContact CD1-CG1 4.24Å; Y217-V227 HydrophobicContact CD1-CG2 3.94Å; Y217-V227 HydrophobicContact CE1-CG1 3.79Å; Y217-V227 HydrophobicContact CE1-CG2 4.19Å
218Y98.9Very high98.7Very high26 Ų2643 Ų4310%0.10221%0.211CC..Hα-helixtrans-57.4-48.9163.3172.3-97000111.4G207 N211 N212 T213 S215 Y221 K222G207-Y218 WeakPolarHBondContact O-CA 3.25Å; N211-Y218 WeakPolarHBondContact OD1-CE2 3.43Å; N212-Y218 WeakPolarHBondContact O-CB 3.49Å; N212-Y218 VanDerWaalsContact O-CG 3.32Å; T213-Y218 HydrophobicContact CG2-CE1 3.89Å; S215-Y218 PolarHBondContact OG-N 3.33Å; Y218-Y221 WeakPolarHBondContact O-CB 3.45Å; Y218-Y221 PolarHBondContact O-N 3.46Å; Y218-K222 HydrophobicContact CD1-CG 4.29Å; Y218-K222 HydrophobicContact CE1-CG 3.85Å; Y218-K222 HydrophobicContact CE2-CG 4.17Å; Y218-K222 VanDerWaalsContact CZ-CE 3.49Å; Y218-K222 WeakPolarHBondContact O-CG 3.46Å; Y218-K222 PolarHBondContact O-N 3.26Å; Y218-K222 WeakPolarHBondContact OH-CE 3.36Å
219W98.9Very high98.7Very high43 Ų4337.8 Ų37.816%0.16319%0.189CC..Hα-helixtrans-70.1-36.1178.5-73.1114000112.9A116 E117 T213 S215 V216 Y217 Y221 K222 N223A116-W219 HydrophobicContact CB-CB 4.06Å; E117-W219 HydrophobicContact CB-CB 4.29Å; E117-W219 HydrophobicContact CB-CD2 3.68Å; E117-W219 HydrophobicContact CB-CE3 4.21Å; E117-W219 HydrophobicContact CB-CG 3.69Å; E117-W219 HydrophobicContact CG-CD2 3.72Å; E117-W219 HydrophobicContact CG-CE3 3.98Å; E117-W219 HydrophobicContact CG-CG 4.27Å; E117-W219 HydrophobicContact CG-CH2 4.05Å; E117-W219 HydrophobicContact CG-CZ2 3.8Å; E117-W219 HydrophobicContact CG-CZ3 4.14Å; E117-W219 VanDerWaalsContact OE1-CZ2 3.29Å; E117-W219 WeakPolarHBondContact OE1-CZ2 3.19Å; T213-W219 HydrophobicContact CG2-CZ2 3.95Å; T213-W219 PolarHBondContact O-NE1 2.86Å; S215-W219 VanDerWaalsContact O-CD1 3.23Å; S215-W219 PolarHBondContact O-N 3.37Å; V216-W219 PolarHBondContact O-N 3.17Å; Y217-W219 VanDerWaalsContact C-N 3.34Å; W219-Y221 VanDerWaalsContact C-N 3.31Å; W219-Y221 PolarHBondContact O-N 3.11Å; W219-K222 HydrophobicContact CE3-CB 4.22Å; W219-K222 PolarHBondContact O-N 2.83Å; W219-N223 WeakPolarHBondContact O-CB 3.03Å; W219-N223 PolarHBondContact O-N 3.22Å
220A98.8Very high98.6Very high2 Ų236 Ų362%0.01718%0.184CC..Hα-helixtrans-61.1-42.2173.200000111.3V216 Y217 N224 I225 V227V216-A220 PolarHBondContact O-N 3Å; Y217-A220 PolarHBondContact O-N 3.42Å; A220-N224 PolarHBondContact O-N 2.86Å; A220-N224 VanDerWaalsContact O-N 3.15Å; A220-I225 HydrophobicContact CB-CB 4.19Å; A220-I225 PolarHBondContact O-N 3.33Å; A220-V227 HydrophobicContact CB-CG2 3.79Å
221Y98.7Very high98.6Very high62 Ų6236.7 Ų36.724%0.24319%0.192CC..Hα-helixtrans-59-54.4170.9161.9-108.3000111.7H204 K208 Y217 Y218 W219 N223 N224H204-Y221 AromaticContact CD2-CD2 3.63Å; H204-Y221 AromaticContact CE1-CD2 3.53Å; H204-Y221 AromaticContact ND1-CD2 3.98Å; H204-Y221 AromaticContact NE2-CD2 3.28Å; H204-Y221 VanDerWaalsContact NE2-CD2 3.28Å; H204-Y221 WeakPolarHBondContact NE2-CD2 3.42Å; H204-Y221 AromaticContact NE2-CE2 3.55Å; K208-Y221 HydrophobicContact CB-CD1 3.9Å; K208-Y221 HydrophobicContact CB-CD2 3.88Å; K208-Y221 HydrophobicContact CB-CE1 3.73Å; K208-Y221 HydrophobicContact CB-CE2 3.77Å; K208-Y221 HydrophobicContact CB-CG 3.98Å; K208-Y221 HydrophobicContact CD-CE1 4.47Å; K208-Y221 HydrophobicContact CD-CE2 4.06Å; K208-Y221 HydrophobicContact CG-CD1 4.39Å; K208-Y221 HydrophobicContact CG-CE1 3.72Å; K208-Y221 HydrophobicContact CG-CE2 4.04Å; Y217-Y221 VanDerWaalsContact O-CB 3.32Å; Y217-Y221 WeakPolarHBondContact O-CB 3.33Å; Y217-Y221 PolarHBondContact O-N 3.41Å; Y218-Y221 WeakPolarHBondContact O-CB 3.45Å; Y218-Y221 PolarHBondContact O-N 3.46Å; W219-Y221 VanDerWaalsContact C-N 3.31Å; W219-Y221 PolarHBondContact O-N 3.11Å; Y221-N223 VanDerWaalsContact C-N 3.3Å; Y221-N223 PolarHBondContact O-N 3.47Å; Y221-N224 PolarHBondContact O-N 3.47Å
222K98.6Very high98.6Very high110 Ų11031.3 Ų31.348%0.47816%0.163SC..Hα-helixtrans-59.5-37.3-177.4-75.7-65.1-169.61770113.7Y218 W219Y218-K222 HydrophobicContact CD1-CG 4.29Å; Y218-K222 HydrophobicContact CE1-CG 3.85Å; Y218-K222 HydrophobicContact CE2-CG 4.17Å; Y218-K222 VanDerWaalsContact CZ-CE 3.49Å; Y218-K222 WeakPolarHBondContact O-CG 3.46Å; Y218-K222 PolarHBondContact O-N 3.26Å; Y218-K222 WeakPolarHBondContact OH-CE 3.36Å; W219-K222 HydrophobicContact CE3-CB 4.22Å; W219-K222 PolarHBondContact O-N 2.83Å
223N97.8Very high98.6Very high31 Ų3133.7 Ų33.717%0.16618%0.179CC..THydrogen-bonded Turntrans-96.17.4-177.1-72.2-32.6000114.1A116 E117 K119 W219 Y221 I225A116-N223 PolarHBondContact O-ND2 3.1Å; E117-N223 VanDerWaalsContact C-ND2 3.34Å; E117-N223 PolarHBondContact O-ND2 3.03Å; K119-N223 HydrophobicContact CB-CB 4.26Å; K119-N223 HydrophobicContact CD-CB 4.26Å; K119-N223 WeakPolarHBondContact CE-O 3.34Å; K119-N223 HydrophobicContact CG-CB 4.12Å; W219-N223 WeakPolarHBondContact O-CB 3.03Å; W219-N223 PolarHBondContact O-N 3.22Å; Y221-N223 VanDerWaalsContact C-N 3.3Å; Y221-N223 PolarHBondContact O-N 3.47Å; N223-I225 VanDerWaalsContact C-N 3.28Å; N223-I225 HydrophobicContact CB-CD1 3.96Å; N223-I225 HydrophobicContact CB-CG1 4Å; N223-I225 PolarHBondContact O-N 2.94Å
224N97.8Very high98.6Very high85 Ų8536.2 Ų36.246%0.45519%0.19SC..THydrogen-bonded Turntrans53.342.7-177-158.517.2000113.1E86 A220 Y221 P226E86-N224 PolarHBondContact OE2-ND2 3.16Å; A220-N224 PolarHBondContact O-N 2.86Å; A220-N224 VanDerWaalsContact O-N 3.15Å; Y221-N224 PolarHBondContact O-N 3.47Å; N224-P226 WeakPolarHBondContact O-CD 3.34Å
225I98.6Very high98.6Very high3 Ų333 Ų332%0.01518%0.178CC..  trans-92.3110.3175.2-57.8171.1000107.8A116 K119 I124 A220 N223A116-I225 HydrophobicContact CB-CD1 4.48Å; K119-I225 HydrophobicContact CG-CD1 4.43Å; K119-I225 HydrophobicContact CG-CG1 4.5Å; I124-I225 HydrophobicContact CD1-CG2 4.11Å; I124-I225 HydrophobicContact CG1-CG2 4.03Å; A220-I225 HydrophobicContact CB-CB 4.19Å; A220-I225 PolarHBondContact O-N 3.33Å; N223-I225 VanDerWaalsContact C-N 3.28Å; N223-I225 HydrophobicContact CB-CD1 3.96Å; N223-I225 HydrophobicContact CB-CG1 4Å; N223-I225 PolarHBondContact O-N 2.94Å
226P98.7Very high98.5Very high15 Ų1533.3 Ų33.310%0.09718%0.18CC..  trans-67.5139.1176.826.8-34000111.5D122 I124 N224 F228 M265D122-P226 WeakPolarHBondContact O-CD 3.44Å; I124-P226 PolarHBondContact N-O 2.98Å; N224-P226 WeakPolarHBondContact O-CD 3.34Å; P226-F228 HydrophobicContact CB-CE2 3.82Å; P226-F228 HydrophobicContact CB-CZ 3.94Å; P226-F228 HydrophobicContact CG-CE2 4.05Å; P226-F228 HydrophobicContact CG-CZ 4.38Å; P226-M265 HydrophobicContact CG-CE 3.66Å; P226-M265 HydrophobicContact CG-SD 3.5Å; P226-M265 WeakPolarHBondContact CG-SD 3.35Å
227V98.9Very high98.5Very high4 Ų433.3 Ų33.32%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-117.6119.5178-172.60000108.7I124 T126 I131 S200 I203 Y217 A220I124-V227 HydrophobicContact CB-CB 4.47Å; I124-V227 HydrophobicContact CB-CG1 4.19Å; I124-V227 HydrophobicContact CB-CG2 4.14Å; I124-V227 HydrophobicContact CD1-CG2 4.49Å; I124-V227 HydrophobicContact CG2-CG1 3.92Å; I124-V227 CarbonylContact O-C 3.48Å; I124-V227 WeakPolarHBondContact O-CA 3.35Å; T126-V227 HydrophobicContact CG2-CG1 4.26Å; I131-V227 HydrophobicContact CD1-CG1 3.69Å; S200-V227 WeakPolarHBondContact CA-O 3.34Å; S200-V227 WeakPolarHBondContact CB-O 3.44Å; I203-V227 HydrophobicContact CB-CB 4.44Å; I203-V227 HydrophobicContact CD1-CB 4.31Å; I203-V227 HydrophobicContact CD1-CG1 4.09Å; I203-V227 HydrophobicContact CG2-CB 3.77Å; I203-V227 HydrophobicContact CG2-CG1 4.03Å; I203-V227 HydrophobicContact CG2-CG2 4.16Å; Y217-V227 HydrophobicContact CD1-CG1 4.24Å; Y217-V227 HydrophobicContact CD1-CG2 3.94Å; Y217-V227 HydrophobicContact CE1-CG1 3.79Å; Y217-V227 HydrophobicContact CE1-CG2 4.19Å; A220-V227 HydrophobicContact CB-CG2 3.79Å
228F98.9Very high98.5Very high1 Ų133.7 Ų33.70%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-105.1135.9-179.2-59.1-83.7000111.1V123 I124 V125 T126 P226 D258 K261 L262 M265V123-F228 HydrophobicContact CG1-CD2 3.73Å; V123-F228 HydrophobicContact CG1-CE2 3.71Å; I124-F228 PolarHBondContact O-N 2.7Å; V125-F228 WeakPolarHBondContact CA-O 3.38Å; V125-F228 HydrophobicContact CG2-CB 4.24Å; V125-F228 HydrophobicContact CG2-CD2 4.47Å; T126-F228 PolarHBondContact N-O 3.43Å; T126-F228 VanDerWaalsContact N-O 3.11Å; P226-F228 HydrophobicContact CB-CE2 3.82Å; P226-F228 HydrophobicContact CB-CZ 3.94Å; P226-F228 HydrophobicContact CG-CE2 4.05Å; P226-F228 HydrophobicContact CG-CZ 4.38Å; F228-D258 HydrophobicContact CD1-CB 4.08Å; F228-D258 HydrophobicContact CE1-CB 4.35Å; F228-D258 WeakPolarHBondContact CE1-O 3.46Å; F228-K261 HydrophobicContact CE1-CB 4.05Å; F228-K261 HydrophobicContact CE1-CD 4.15Å; F228-K261 HydrophobicContact CE1-CG 4.22Å; F228-K261 HydrophobicContact CZ-CB 4.15Å; F228-K261 HydrophobicContact CZ-CD 4.02Å; F228-K261 HydrophobicContact CZ-CG 3.92Å; F228-L262 HydrophobicContact CD1-CB 4.18Å; F228-L262 HydrophobicContact CD2-CB 4.24Å; F228-L262 HydrophobicContact CD2-CD1 3.68Å; F228-L262 HydrophobicContact CD2-CG 4.42Å; F228-L262 HydrophobicContact CE1-CB 4Å; F228-L262 HydrophobicContact CE2-CB 4.05Å; F228-L262 HydrophobicContact CE2-CD1 3.75Å; F228-L262 HydrophobicContact CE2-CG 4.49Å; F228-L262 HydrophobicContact CG-CB 4.28Å; F228-L262 HydrophobicContact CG-CD1 4.33Å; F228-L262 HydrophobicContact CZ-CB 3.92Å; F228-L262 HydrophobicContact CZ-CD1 4.47Å; F228-M265 HydrophobicContact CE2-SD 4.15Å; F228-M265 HydrophobicContact CZ-SD 4.25Å
229S98.8Very high98.5Very high0 Ų036.6 Ų36.60%020%0.202CC..  trans-148.883174.5176.20000108.9T126 P199 A231 L232T126-S229 WeakPolarHBondContact O-CA 3.42Å; T126-S229 WeakPolarHBondContact O-CB 3.29Å; T126-S229 PolarHBondContact O-OG 3.26Å; P199-S229 VanDerWaalsContact CB-O 3.28Å; P199-S229 WeakPolarHBondContact CB-O 3.35Å; S229-A231 PolarHBondContact O-N 3.29Å; S229-A231 VanDerWaalsContact O-N 3.1Å; S229-L232 WeakPolarHBondContact O-CB 3.48Å; S229-L232 PolarHBondContact O-N 3.21Å
230P98.3Very high98.5Very high34 Ų3435 Ų3522%0.22120%0.196CC..THydrogen-bonded Turntrans-62.7-20.4-174.326.1-37.2000113.8L281P230-L281 HydrophobicContact CG-CD1 3.86Å; P230-L281 HydrophobicContact CG-CD2 3.46Å; P230-L281 VanDerWaalsContact CG-CD2 3.46Å; P230-L281 HydrophobicContact CG-CG 4.1Å
231A98.4Very high98.5Very high30 Ų3036 Ų3625%0.24820%0.201CC..THydrogen-bonded Turntrans-107.249.1171.800000111.2S229 T233 D234 L281S229-A231 PolarHBondContact O-N 3.29Å; S229-A231 VanDerWaalsContact O-N 3.1Å; A231-T233 PolarHBondContact O-N 3.34Å; A231-T233 VanDerWaalsContact O-N 3.15Å; A231-D234 HydrophobicContact CB-CB 4.49Å; A231-D234 PolarHBondContact O-N 2.97Å; A231-L281 HydrophobicContact CB-CD1 3.98Å
232L98.8Very high98.5Very high3 Ų339.3 Ų39.32%0.01621%0.214CC..THydrogen-bonded Turntrans-62.1-19.4-177.3-168.658.6000113.8A128 I131 P199 M202 I203 S229 D234 L237 L253A128-L232 HydrophobicContact CB-CD1 4.48Å; A128-L232 VanDerWaalsContact CB-O 3.27Å; A128-L232 WeakPolarHBondContact CB-O 3.41Å; I131-L232 HydrophobicContact CB-CD1 4.2Å; I131-L232 HydrophobicContact CG1-CD1 3.84Å; I131-L232 HydrophobicContact CG2-CD1 4.32Å; P199-L232 HydrophobicContact CB-CB 4.1Å; P199-L232 HydrophobicContact CB-CD2 3.87Å; P199-L232 HydrophobicContact CG-CB 4.36Å; M202-L232 HydrophobicContact CB-CD2 4.35Å; M202-L232 HydrophobicContact CG-CD2 4.3Å; M202-L232 HydrophobicContact SD-CD2 3.79Å; I203-L232 HydrophobicContact CD1-CD1 4.18Å; I203-L232 HydrophobicContact CD1-CD2 4.45Å; I203-L232 HydrophobicContact CG1-CD1 4.27Å; I203-L232 HydrophobicContact CG1-CD2 4.25Å; S229-L232 WeakPolarHBondContact O-CB 3.48Å; S229-L232 PolarHBondContact O-N 3.21Å; L232-D234 VanDerWaalsContact C-N 3.32Å; L232-L237 HydrophobicContact CD1-CD2 3.53Å; L232-L237 HydrophobicContact CD2-CD2 4.02Å; L232-L237 HydrophobicContact CG-CD2 3.64Å; L232-L253 HydrophobicContact CD2-CD1 4.3Å
233T98.6Very high98.5Very high93 Ų9338.6 Ų38.657%0.57121%0.211SC*.THydrogen-bonded Turntrans-82.6-3.7179.155.50000114A231 G235 G238A231-T233 PolarHBondContact O-N 3.34Å; A231-T233 VanDerWaalsContact O-N 3.15Å; T233-G235 PolarHBondContact O-N 3.3Å; T233-G238 WeakPolarHBondContact O-CA 3.33Å
234D98.5Very high98.5Very high127 Ų12737.2 Ų37.268%0.67920%0.204SC*.SBendtrans-90.863-176.8-172.731.9000112.2A128 A231 L232A128-D234 WeakPolarHBondContact CB-O 3.46Å; A231-D234 HydrophobicContact CB-CB 4.49Å; A231-D234 PolarHBondContact O-N 2.97Å; L232-D234 VanDerWaalsContact C-N 3.32Å
235G97.7Very high98.5Very high23 Ų2335.3 Ų35.324%0.23720%0.197CC..SBendtrans173.7-172.6-177.300000113.2T233 L237 G238 D239T233-G235 PolarHBondContact O-N 3.3Å; G235-L237 PolarHBondContact O-N 3Å; G235-G238 WeakPolarHBondContact O-CA 3.49Å; G235-G238 PolarHBondContact O-N 3.33Å; G235-D239 PolarHBondContact O-N 2.96Å; G235-D239 VanDerWaalsContact O-N 3.08Å
236S97.9Very high98.5Very high7 Ų742.2 Ų42.25%0.04923%0.227CC..Hα-helixtrans-57.1-33.2176.3-178.60000112.7E132 Y172 G238 D239 M240E132-S236 WeakPolarHBondContact OE1-CB 3.5Å; E132-S236 PolarHBondContact OE1-N 3.47Å; E132-S236 PolarHBondContact OE2-N 3.04Å; Y172-S236 VanDerWaalsContact CD1-OG 3.3Å; Y172-S236 WeakPolarHBondContact CD1-OG 3.25Å; S236-G238 VanDerWaalsContact C-N 3.26Å; S236-G238 PolarHBondContact O-N 3.41Å; S236-D239 WeakPolarHBondContact O-CB 3.48Å; S236-D239 PolarHBondContact O-N 3.5Å; S236-D239 VanDerWaalsContact O-N 3.16Å; S236-M240 WeakPolarHBondContact O-CG 3.41Å; S236-M240 PolarHBondContact O-N 3.45Å
237L98.3Very high98.4Very high0 Ų048.1 Ų48.10%025%0.252CS..Hα-helixtrans-59.5-40.2172.5-175.955.8000111.7I131 E132 F175 L179 M202 L206 L232 G235 M240 I241I131-L237 HydrophobicContact CG2-CD2 4.35Å; E132-L237 HydrophobicContact CB-CB 4.4Å; E132-L237 PolarHBondContact OE2-N 2.85Å; F175-L237 HydrophobicContact CE1-CD1 4.46Å; F175-L237 HydrophobicContact CZ-CD1 4.18Å; L179-L237 HydrophobicContact CD1-CD1 4.18Å; L179-L237 HydrophobicContact CD2-CD1 3.35Å; L179-L237 HydrophobicContact CG-CD1 4.41Å; M202-L237 HydrophobicContact CE-CD1 3.76Å; M202-L237 HydrophobicContact CE-CD2 4.41Å; M202-L237 HydrophobicContact CE-CG 4.33Å; L206-L237 HydrophobicContact CD1-CD1 4.32Å; L206-L237 HydrophobicContact CD1-CD2 4.37Å; L232-L237 HydrophobicContact CD1-CD2 3.53Å; L232-L237 HydrophobicContact CD2-CD2 4.02Å; L232-L237 HydrophobicContact CG-CD2 3.64Å; G235-L237 PolarHBondContact O-N 3Å; L237-M240 PolarHBondContact O-N 3.34Å; L237-I241 HydrophobicContact CG-CD1 4.25Å; L237-I241 WeakPolarHBondContact O-CD1 3.47Å; L237-I241 VanDerWaalsContact O-CG1 3.27Å; L237-I241 WeakPolarHBondContact O-CG1 3.28Å; L237-I241 PolarHBondContact O-N 3.13Å
238G98.6Very high98.4Very high9 Ų951 Ų519%0.09327%0.267CS..Hα-helixtrans-63.9-41.7172.400000112.9T233 G235 S236 M240 I241 Y242T233-G238 WeakPolarHBondContact O-CA 3.33Å; G235-G238 WeakPolarHBondContact O-CA 3.49Å; G235-G238 PolarHBondContact O-N 3.33Å; S236-G238 VanDerWaalsContact C-N 3.26Å; S236-G238 PolarHBondContact O-N 3.41Å; G238-M240 VanDerWaalsContact C-N 3.3Å; G238-M240 PolarHBondContact O-N 3Å; G238-I241 PolarHBondContact O-N 2.9Å; G238-Y242 WeakPolarHBondContact O-CB 3.33Å; G238-Y242 PolarHBondContact O-N 3.31Å
239D98.6Very high98.3Very high86 Ų8655.5 Ų55.546%0.4630%0.296SS..Hα-helixtrans-59-42.9175-63.8-27.7000111.4G235 S236 Y242 F243G235-D239 PolarHBondContact O-N 2.96Å; G235-D239 VanDerWaalsContact O-N 3.08Å; S236-D239 WeakPolarHBondContact O-CB 3.48Å; S236-D239 PolarHBondContact O-N 3.5Å; S236-D239 VanDerWaalsContact O-N 3.16Å; D239-Y242 WeakPolarHBondContact O-CB 3.41Å; D239-Y242 PolarHBondContact O-N 3.25Å; D239-F243 HydrophobicContact CB-CE2 4.24Å; D239-F243 WeakPolarHBondContact O-CD2 3.43Å; D239-F243 WeakPolarHBondContact O-CG 3.44Å; D239-F243 PolarHBondContact O-N 2.91Å
240M98.6Very high98.2Very high10 Ų1057.6 Ų57.65%0.04932%0.318CS..Hα-helixtrans-68.3-41.9178.7-60.7-48.5142.300112.2F175 E176 L179 M180 L183 S236 L237 G238 Y242 F243 H244F175-M240 HydrophobicContact CD1-CG 4.21Å; F175-M240 HydrophobicContact CE1-CG 4.29Å; E176-M240 HydrophobicContact CB-CE 4.12Å; E176-M240 HydrophobicContact CB-SD 3.54Å; E176-M240 VanDerWaalsContact CB-SD 3.54Å; E176-M240 HydrophobicContact CG-SD 3.63Å; L179-M240 HydrophobicContact CD2-CB 3.48Å; L179-M240 VanDerWaalsContact CD2-CB 3.48Å; L179-M240 HydrophobicContact CD2-CG 3.83Å; L179-M240 HydrophobicContact CG-CB 4.49Å; M180-M240 HydrophobicContact CE-CB 4.14Å; M180-M240 WeakPolarHBondContact CE-O 3.35Å; M180-M240 HydrophobicContact CE-SD 3.98Å; L183-M240 HydrophobicContact CD1-CB 4.46Å; S236-M240 WeakPolarHBondContact O-CG 3.41Å; S236-M240 PolarHBondContact O-N 3.45Å; L237-M240 PolarHBondContact O-N 3.34Å; G238-M240 VanDerWaalsContact C-N 3.3Å; G238-M240 PolarHBondContact O-N 3Å; M240-Y242 VanDerWaalsContact C-N 3.28Å; M240-Y242 PolarHBondContact O-N 2.87Å; M240-F243 PolarHBondContact O-N 3.35Å; M240-F243 HydrophobicContact SD-CD2 4.3Å; M240-H244 WeakPolarHBondContact O-CB 3.14Å; M240-H244 PolarHBondContact O-N 2.91Å
241I98.6Very high98.3Very high24 Ų2457.4 Ų57.412%0.12332%0.315CS..Hα-helixtrans-60.3-41.4172.5-67162.9000110.4L183 M202 L237 G238 H244 S245 L253L183-I241 HydrophobicContact CD1-CG1 4.42Å; L183-I241 HydrophobicContact CD2-CG1 4.31Å; M202-I241 HydrophobicContact CE-CD1 4.05Å; M202-I241 HydrophobicContact CE-CG1 4.32Å; M202-I241 HydrophobicContact SD-CD1 4.26Å; L237-I241 HydrophobicContact CG-CD1 4.25Å; L237-I241 WeakPolarHBondContact O-CD1 3.47Å; L237-I241 VanDerWaalsContact O-CG1 3.27Å; L237-I241 WeakPolarHBondContact O-CG1 3.28Å; L237-I241 PolarHBondContact O-N 3.13Å; G238-I241 PolarHBondContact O-N 2.9Å; I241-H244 PolarHBondContact O-N 3.18Å; I241-S245 WeakPolarHBondContact O-CB 3.48Å; I241-S245 PolarHBondContact O-N 2.96Å; I241-L253 HydrophobicContact CD1-CD1 4.01Å
242Y98.8Very high98.3Very high131 Ų13160.2 Ų60.251%0.51433%0.328SS..Hα-helixtrans-60.3-53.3177170.8-96.5000111.1G238 D239 M240 H244 S245 F246G238-Y242 WeakPolarHBondContact O-CB 3.33Å; G238-Y242 PolarHBondContact O-N 3.31Å; D239-Y242 WeakPolarHBondContact O-CB 3.41Å; D239-Y242 PolarHBondContact O-N 3.25Å; M240-Y242 VanDerWaalsContact C-N 3.28Å; M240-Y242 PolarHBondContact O-N 2.87Å; Y242-H244 VanDerWaalsContact C-N 3.34Å; Y242-H244 PolarHBondContact O-N 3.05Å; Y242-S245 PolarHBondContact O-N 3.42Å; Y242-S245 PolarHBondContact O-OG 3.24Å; Y242-F246 HydrophobicContact CD1-CE2 4.4Å; Y242-F246 HydrophobicContact CD2-CE2 4.02Å; Y242-F246 AromaticContact CE1-CE2 3.9Å; Y242-F246 HydrophobicContact CE1-CE2 3.9Å; Y242-F246 AromaticContact CE2-CE2 3.5Å; Y242-F246 HydrophobicContact CE2-CE2 3.5Å; Y242-F246 VanDerWaalsContact CE2-CE2 3.5Å; Y242-F246 HydrophobicContact CE2-CZ 4.06Å; Y242-F246 HydrophobicContact CG-CE2 4.45Å; Y242-F246 AromaticContact CZ-CE2 3.42Å; Y242-F246 VanDerWaalsContact CZ-CE2 3.42Å; Y242-F246 VanDerWaalsContact O-CD2 3.31Å; Y242-F246 WeakPolarHBondContact O-CD2 3.41Å
243F98.5Very high98.3Very high94 Ų9461.9 Ų61.941%0.41234%0.337SS..Hα-helixtrans-63.5-39.5178.6-63.1-42.7000112.7M180 D239 M240 S245 F246M180-F243 HydrophobicContact CE-CB 3.97Å; D239-F243 HydrophobicContact CB-CE2 4.24Å; D239-F243 WeakPolarHBondContact O-CD2 3.43Å; D239-F243 WeakPolarHBondContact O-CG 3.44Å; D239-F243 PolarHBondContact O-N 2.91Å; M240-F243 PolarHBondContact O-N 3.35Å; M240-F243 HydrophobicContact SD-CD2 4.3Å; F243-S245 VanDerWaalsContact C-N 3.32Å; F243-S245 PolarHBondContact O-N 3.37Å; F243-F246 PolarHBondContact O-N 3.46Å
244H98.7Very high98.3Very high2 Ų259.1 Ų59.11%0.00932%0.319CS..Hα-helixtrans-58-44.1175.1179.4-97.3000111.5M180 L183 D184 M240 I241 Y242 F246 K247 N248M180-H244 HydrophobicContact SD-CB 3.97Å; L183-H244 HydrophobicContact CD1-CB 3.76Å; D184-H244 PolarHBondContact N-NE2 3.2Å; D184-H244 IonicContact OD1-CD2 2.74Å; D184-H244 PolarHBondContact OD1-CD2 3.43Å; D184-H244 IonicContact OD1-CE1 2.64Å; D184-H244 IonicContact OD1-NE2 2.9Å; D184-H244 PolarHBondContact OD1-NE2 3.38Å; M240-H244 WeakPolarHBondContact O-CB 3.14Å; M240-H244 PolarHBondContact O-N 2.91Å; I241-H244 PolarHBondContact O-N 3.18Å; Y242-H244 VanDerWaalsContact C-N 3.34Å; Y242-H244 PolarHBondContact O-N 3.05Å; H244-F246 PolarHBondContact O-N 2.85Å; H244-F246 VanDerWaalsContact O-N 3.12Å; H244-K247 PolarHBondContact O-N 2.89Å; H244-N248 PolarHBondContact O-N 3.48Å
245S98.5Very high98.3Very high46 Ų4657.3 Ų57.332%0.32231%0.309SS..Hα-helixtrans-61.3-25.1-17676.90000115I241 Y242 F243 P249I241-S245 WeakPolarHBondContact O-CB 3.48Å; I241-S245 PolarHBondContact O-N 2.96Å; Y242-S245 PolarHBondContact O-N 3.42Å; Y242-S245 PolarHBondContact O-OG 3.24Å; F243-S245 VanDerWaalsContact C-N 3.32Å; F243-S245 PolarHBondContact O-N 3.37Å; S245-P249 WeakPolarHBondContact O-CA 3.49Å; S245-P249 WeakPolarHBondContact O-CB 3.48Å
246F98.3Very high98.3Very high147 Ų14760.4 Ų60.465%0.64532%0.322SS*.Hα-helixtrans-78.6-28.8174-74.2-84.4000113Y242 F243 H244Y242-F246 HydrophobicContact CD1-CE2 4.4Å; Y242-F246 HydrophobicContact CD2-CE2 4.02Å; Y242-F246 AromaticContact CE1-CE2 3.9Å; Y242-F246 HydrophobicContact CE1-CE2 3.9Å; Y242-F246 AromaticContact CE2-CE2 3.5Å; Y242-F246 HydrophobicContact CE2-CE2 3.5Å; Y242-F246 VanDerWaalsContact CE2-CE2 3.5Å; Y242-F246 HydrophobicContact CE2-CZ 4.06Å; Y242-F246 HydrophobicContact CG-CE2 4.45Å; Y242-F246 AromaticContact CZ-CE2 3.42Å; Y242-F246 VanDerWaalsContact CZ-CE2 3.42Å; Y242-F246 VanDerWaalsContact O-CD2 3.31Å; Y242-F246 WeakPolarHBondContact O-CD2 3.41Å; F243-F246 PolarHBondContact O-N 3.46Å; H244-F246 PolarHBondContact O-N 2.85Å; H244-F246 VanDerWaalsContact O-N 3.12Å
247K97Very high98.4Very high140 Ų14062.8 Ų62.861%0.60933%0.333SS*.Hα-helixtrans-83.1-46177.1-64176.8-177.21700110.4H244H244-K247 PolarHBondContact O-N 2.89Å
248N97.1Very high98.4Very high65 Ų6563.1 Ų63.135%0.34834%0.335SS..SBendtrans-134.883.9-174-71.6-44.4000109.5D184 L187 H244D184-N248 PolarHBondContact OD1-ND2 3.31Å; L187-N248 HydrophobicContact CD2-CB 3.75Å; L187-N248 WeakPolarHBondContact CD2-O 3.24Å; H244-N248 PolarHBondContact O-N 3.48Å
249P97.9Very high98.4Very high95 Ų9565 Ų6562%0.61734%0.342SS*.  trans-71.5148.2-173.827.8-34.7000112.8S245S245-P249 WeakPolarHBondContact O-CA 3.49Å; S245-P249 WeakPolarHBondContact O-CB 3.48Å
250G97.4Very high98.4Very high44 Ų4470 Ų7045%0.45435%0.354SS..  trans119.4-1163.200000116.6Q190 V252Q190-G250 PolarHBondContact NE2-O 3.25Å; G250-V252 PolarHBondContact O-N 3.19Å
251L98.6Very high98.3Very high29 Ų2974.1 Ų74.115%0.15237%0.372CS..  trans-64.7129.3176.2-17466.4000110.5L183 M186 L187 W197L183-L251 HydrophobicContact CD2-CD2 3.97Å; M186-L251 HydrophobicContact CB-CD1 4.25Å; L187-L251 HydrophobicContact CD1-CB 4.25Å; W197-L251 HydrophobicContact CG-CD1 4.47Å
252V98.8Very high98.3Very high89 Ų8973 Ų7354%0.53937%0.366SS..  trans-122.5133.1-178.6177.20000110.1W197 G250W197-V252 WeakPolarHBondContact CB-O 3.38Å; G250-V252 PolarHBondContact O-N 3.19Å
253L98.7Very high98.3Very high39 Ų3968.1 Ų68.120%0.20435%0.349CS..  trans-111.8109170.9-63178.5000109.7W197 M202 L232 I241W197-L253 HydrophobicContact CB-CD2 3.72Å; W197-L253 WeakPolarHBondContact O-CA 3.14Å; M202-L253 HydrophobicContact CB-CD2 4.29Å; M202-L253 HydrophobicContact SD-CD1 3.91Å; M202-L253 HydrophobicContact SD-CD2 4Å; L232-L253 HydrophobicContact CD2-CD1 4.3Å; I241-L253 HydrophobicContact CD1-CD1 4.01Å
254D98.7Very high98.3Very high35 Ų3564.5 Ų64.519%0.18734%0.339CS..  trans-84.7126176.3179.327.6000111.4R196 W197 T198 P199 V256 E257R196-D254 IonicContact CZ-OD2 3.63Å; R196-D254 IonicContact NH2-OD2 3.79Å; R196-D254 PolarHBondContact NH2-OD2 3.06Å; W197-D254 PolarHBondContact O-N 3.07Å; T198-D254 WeakPolarHBondContact CA-O 3.32Å; T198-D254 VanDerWaalsContact CB-O 3.26Å; T198-D254 WeakPolarHBondContact CB-O 3.36Å; T198-D254 WeakPolarHBondContact CG2-O 3.38Å; P199-D254 VanDerWaalsContact CD-O 3.31Å; P199-D254 WeakPolarHBondContact CD-O 3.17Å; D254-V256 WeakPolarHBondContact OD1-CB 3.33Å; D254-V256 PolarHBondContact OD1-N 2.92Å; D254-E257 PolarHBondContact OD2-N 2.87Å
255I98.7Very high98.2Very high89 Ų8967 Ų6746%0.45635%0.351SS..Hα-helixtrans-91.6-16.8176.561.2173.5000112.6P199 D258 I259P199-I255 HydrophobicContact CG-CG2 4.19Å; I255-D258 PolarHBondContact O-N 3.38Å; I255-I259 PolarHBondContact O-N 3.23Å
256V98.8Very high98.2Very high87 Ų8764.8 Ų64.853%0.52734%0.336SS..Hα-helixtrans-72.4-42.8-175.7179.20000111.1D254 D258 I259 R260D254-V256 WeakPolarHBondContact OD1-CB 3.33Å; D254-V256 PolarHBondContact OD1-N 2.92Å; V256-D258 VanDerWaalsContact C-N 3.32Å; V256-D258 PolarHBondContact O-N 3.28Å; V256-I259 WeakPolarHBondContact O-CG2 3.19Å; V256-R260 WeakPolarHBondContact O-CG 3.23Å; V256-R260 PolarHBondContact O-N 3.48Å
257E98.6Very high98.1Very high58 Ų5861 Ų6127%0.27132%0.324SS..Hα-helixtrans-61.9-41173.6-174-172.4145.500111.5T198 K201 D254 R260 K261T198-E257 HydrophobicContact CG2-CB 3.72Å; T198-E257 HydrophobicContact CG2-CG 4.06Å; K201-E257 WeakPolarHBondContact CE-OE1 3.39Å; K201-E257 VanDerWaalsContact NZ-CD 3.28Å; K201-E257 IonicContact NZ-OE1 2.73Å; K201-E257 PolarHBondContact NZ-OE1 3.32Å; K201-E257 IonicContact NZ-OE2 2.72Å; K201-E257 PolarHBondContact NZ-OE2 2.74Å; K201-E257 VanDerWaalsContact NZ-OE2 3.15Å; D254-E257 PolarHBondContact OD2-N 2.87Å; E257-R260 WeakPolarHBondContact O-CB 3.26Å; E257-R260 PolarHBondContact O-N 2.8Å; E257-K261 PolarHBondContact O-N 2.81Å
258D98.4Very high98Very high7 Ų759.9 Ų59.94%0.03732%0.319CS..Hα-helixtrans-64.2-43.7179.1-102.617.3000112.9T198 P199 S200 F228 I255 V256 R260 K261 L262T198-D258 WeakPolarHBondContact CB-OD1 3.38Å; T198-D258 PolarHBondContact OG1-OD1 2.6Å; P199-D258 WeakPolarHBondContact CB-OD2 3.31Å; P199-D258 WeakPolarHBondContact CD-OD2 3.43Å; S200-D258 WeakPolarHBondContact CB-OD1 3.33Å; S200-D258 WeakPolarHBondContact CB-OD2 3.47Å; S200-D258 PolarHBondContact N-OD2 3.44Å; S200-D258 PolarHBondContact OG-OD1 3.43Å; F228-D258 HydrophobicContact CD1-CB 4.08Å; F228-D258 HydrophobicContact CE1-CB 4.35Å; F228-D258 WeakPolarHBondContact CE1-O 3.46Å; I255-D258 PolarHBondContact O-N 3.38Å; V256-D258 VanDerWaalsContact C-N 3.32Å; V256-D258 PolarHBondContact O-N 3.28Å; D258-R260 VanDerWaalsContact C-N 3.3Å; D258-R260 PolarHBondContact O-N 3.09Å; D258-K261 PolarHBondContact O-N 3.26Å; D258-L262 PolarHBondContact O-N 2.63Å
259I98.4Very high97.9Very high47 Ų4757.3 Ų57.324%0.24131%0.307CS..Hα-helixtrans-66.8-33.2177.3-173.256.9000111.9I255 V256 L262 N263I255-I259 PolarHBondContact O-N 3.23Å; V256-I259 WeakPolarHBondContact O-CG2 3.19Å; I259-L262 HydrophobicContact CD1-CD2 4.4Å; I259-N263 WeakPolarHBondContact CD1-OD1 3.31Å; I259-N263 VanDerWaalsContact O-CB 3.29Å; I259-N263 WeakPolarHBondContact O-CB 3.29Å; I259-N263 VanDerWaalsContact O-CG 3.23Å; I259-N263 PolarHBondContact O-N 3.49Å; I259-N263 PolarHBondContact O-ND2 2.84Å
260R98.5Very high97.7Very high191 Ų19158 Ų5872%0.72130%0.301SS*.Hα-helixtrans-62.3-45.9172.5-74.7178.460.478.23.3111V256 E257 D258 G264V256-R260 WeakPolarHBondContact O-CG 3.23Å; V256-R260 PolarHBondContact O-N 3.48Å; E257-R260 WeakPolarHBondContact O-CB 3.26Å; E257-R260 PolarHBondContact O-N 2.8Å; D258-R260 VanDerWaalsContact C-N 3.3Å; D258-R260 PolarHBondContact O-N 3.09Å; R260-G264 PolarHBondContact O-N 2.98Å
261K98.4Very high97.7Very high98 Ų9858.7 Ų58.743%0.42629%0.291SS..Hα-helixtrans-62.4-51178.3-170.9178.7179.4174.30111.3F228 E257 D258 N263 G264 M265F228-K261 HydrophobicContact CE1-CB 4.05Å; F228-K261 HydrophobicContact CE1-CD 4.15Å; F228-K261 HydrophobicContact CE1-CG 4.22Å; F228-K261 HydrophobicContact CZ-CB 4.15Å; F228-K261 HydrophobicContact CZ-CD 4.02Å; F228-K261 HydrophobicContact CZ-CG 3.92Å; E257-K261 PolarHBondContact O-N 2.81Å; D258-K261 PolarHBondContact O-N 3.26Å; K261-N263 PolarHBondContact O-N 3.03Å; K261-G264 PolarHBondContact O-N 3.3Å; K261-M265 WeakPolarHBondContact O-CG 3.4Å; K261-M265 PolarHBondContact O-N 2.75Å
262L98.5Very high97.7Very high0 Ų057.3 Ų57.30%028%0.284CS..Hα-helixtrans-58.4-48.4179.517766.5000112.1F96 V123 V125 F228 D258 I259 M265 A266 H285 A289F96-L262 HydrophobicContact CD1-CD1 4.15Å; F96-L262 HydrophobicContact CE1-CD1 3.76Å; V123-L262 HydrophobicContact CG1-CD1 3.82Å; V125-L262 HydrophobicContact CG2-CD1 4.3Å; F228-L262 HydrophobicContact CD1-CB 4.18Å; F228-L262 HydrophobicContact CD2-CB 4.24Å; F228-L262 HydrophobicContact CD2-CD1 3.68Å; F228-L262 HydrophobicContact CD2-CG 4.42Å; F228-L262 HydrophobicContact CE1-CB 4Å; F228-L262 HydrophobicContact CE2-CB 4.05Å; F228-L262 HydrophobicContact CE2-CD1 3.75Å; F228-L262 HydrophobicContact CE2-CG 4.49Å; F228-L262 HydrophobicContact CG-CB 4.28Å; F228-L262 HydrophobicContact CG-CD1 4.33Å; F228-L262 HydrophobicContact CZ-CB 3.92Å; F228-L262 HydrophobicContact CZ-CD1 4.47Å; D258-L262 PolarHBondContact O-N 2.63Å; I259-L262 HydrophobicContact CD1-CD2 4.4Å; L262-M265 PolarHBondContact O-N 3.26Å; L262-A266 PolarHBondContact O-N 3.08Å; L262-H285 WeakPolarHBondContact CD2-CD2 3.44Å; L262-H285 WeakPolarHBondContact CD2-NE2 3.06Å; L262-A289 HydrophobicContact CD1-CB 4.34Å; L262-A289 HydrophobicContact CD2-CB 4.12Å; L262-A289 HydrophobicContact CG-CB 3.79Å
263N98.6Very high97.7Very high28 Ų2853 Ų5315%0.1526%0.258CS..Hα-helixtrans-64-42.1178.3-71.7-10000111.4I259 K261 M265 A266 V267 A289 M292I259-N263 WeakPolarHBondContact CD1-OD1 3.31Å; I259-N263 VanDerWaalsContact O-CB 3.29Å; I259-N263 WeakPolarHBondContact O-CB 3.29Å; I259-N263 VanDerWaalsContact O-CG 3.23Å; I259-N263 PolarHBondContact O-N 3.49Å; I259-N263 PolarHBondContact O-ND2 2.84Å; K261-N263 PolarHBondContact O-N 3.03Å; N263-M265 VanDerWaalsContact C-N 3.31Å; N263-M265 PolarHBondContact O-N 3.06Å; N263-A266 PolarHBondContact O-N 2.82Å; N263-A266 VanDerWaalsContact O-N 3.13Å; N263-V267 WeakPolarHBondContact O-CG2 3.45Å; N263-V267 PolarHBondContact O-N 3.22Å; N263-A289 WeakPolarHBondContact OD1-CA 3.37Å; N263-M292 HydrophobicContact CB-CG 4.2Å
264G97.6Very high97.7Very high19 Ų1951.2 Ų51.220%0.19625%0.248CC..Hα-helixtrans-57.7-43.1175.900000112.3R260 K261 A266 V267 F268R260-G264 PolarHBondContact O-N 2.98Å; K261-G264 PolarHBondContact O-N 3.3Å; G264-A266 VanDerWaalsContact C-N 3.26Å; G264-A266 PolarHBondContact O-N 3.37Å; G264-V267 PolarHBondContact O-N 3.23Å; G264-F268 WeakPolarHBondContact O-CD2 3.45Å; G264-F268 PolarHBondContact O-N 3.3Å
265M97.1Very high97.7Very high54 Ų5449.6 Ų49.627%0.26624%0.24SC..Hα-helixtrans-59.7-35.4176.6-68.7-174.482.200113F96 V123 P226 F228 K261 L262 N263 A269F96-M265 HydrophobicContact CZ-CB 4.35Å; V123-M265 HydrophobicContact CG2-CB 4.49Å; V123-M265 HydrophobicContact CG2-CE 3.3Å; V123-M265 HydrophobicContact CG2-SD 3.64Å; P226-M265 HydrophobicContact CG-CE 3.66Å; P226-M265 HydrophobicContact CG-SD 3.5Å; P226-M265 WeakPolarHBondContact CG-SD 3.35Å; F228-M265 HydrophobicContact CE2-SD 4.15Å; F228-M265 HydrophobicContact CZ-SD 4.25Å; K261-M265 WeakPolarHBondContact O-CG 3.4Å; K261-M265 PolarHBondContact O-N 2.75Å; L262-M265 PolarHBondContact O-N 3.26Å; N263-M265 VanDerWaalsContact C-N 3.31Å; N263-M265 PolarHBondContact O-N 3.06Å; M265-A269 WeakPolarHBondContact O-CB 3.49Å
266A97.4Very high97.7Very high0 Ų045.3 Ų45.30%022%0.218CC..Hα-helixtrans-74.4-48.3174.600000111.7F96 L262 N263 G264 F268 A269 A289 R293F96-A266 HydrophobicContact CZ-CB 3.94Å; L262-A266 PolarHBondContact O-N 3.08Å; N263-A266 PolarHBondContact O-N 2.82Å; N263-A266 VanDerWaalsContact O-N 3.13Å; G264-A266 VanDerWaalsContact C-N 3.26Å; G264-A266 PolarHBondContact O-N 3.37Å; A266-F268 VanDerWaalsContact C-N 3.31Å; A266-F268 PolarHBondContact O-N 2.92Å; A266-A269 WeakPolarHBondContact O-CB 3.28Å; A266-A269 PolarHBondContact O-N 2.96Å; A266-A269 VanDerWaalsContact O-N 3.16Å; A266-A289 HydrophobicContact CB-CB 4.2Å; A266-A289 VanDerWaalsContact CB-O 3.26Å; A266-A289 WeakPolarHBondContact CB-O 3.41Å; A266-R293 WeakPolarHBondContact O-CD 3.41Å; A266-R293 PolarHBondContact O-NE 2.87Å
267V97Very high97.8Very high68 Ų6841.2 Ų41.241%0.41219%0.193SC..Hα-helixtrans-56.3-44.5-178.4170.10000111.8N263 G264 A269 M292N263-V267 WeakPolarHBondContact O-CG2 3.45Å; N263-V267 PolarHBondContact O-N 3.22Å; G264-V267 PolarHBondContact O-N 3.23Å; V267-A269 VanDerWaalsContact C-N 3.32Å; V267-A269 PolarHBondContact O-N 2.88Å; V267-M292 HydrophobicContact CG2-CB 3.56Å
268F95.2Very high97.8Very high115 Ų11539.1 Ų39.150%0.50419%0.187SC..THydrogen-bonded Turntrans-89.16.3-176.5-57.2-59.6000114G264 A266G264-F268 WeakPolarHBondContact O-CD2 3.45Å; G264-F268 PolarHBondContact O-N 3.3Å; A266-F268 VanDerWaalsContact C-N 3.31Å; A266-F268 PolarHBondContact O-N 2.92Å
269A94.8Very high97.8Very high11 Ų1139.3 Ų39.39%0.09119%0.191CC..  trans-85.8131.7176.700000112T94 M265 A266 V267 K271 T272 R293T94-A269 WeakPolarHBondContact OG1-CB 3.3Å; M265-A269 WeakPolarHBondContact O-CB 3.49Å; A266-A269 WeakPolarHBondContact O-CB 3.28Å; A266-A269 PolarHBondContact O-N 2.96Å; A266-A269 VanDerWaalsContact O-N 3.16Å; V267-A269 VanDerWaalsContact C-N 3.32Å; V267-A269 PolarHBondContact O-N 2.88Å; A269-K271 PolarHBondContact O-N 3.27Å; A269-T272 HydrophobicContact CB-CG2 3.47Å; A269-T272 VanDerWaalsContact CB-CG2 3.47Å; A269-R293 PolarHBondContact O-NH2 3.3Å; A269-R293 VanDerWaalsContact O-NH2 3.08Å
270K93.8Very high97.8Very high110 Ų11038.6 Ų38.648%0.47819%0.194SC..SBendtrans-59.7-49.1176.5-173.3-174.3-169.9174.80112.1V73 R293V73-K270 HydrophobicContact CB-CD 4.14Å; V73-K270 HydrophobicContact CG1-CD 3.84Å; V73-K270 HydrophobicContact CG2-CD 3.57Å; K270-R293 PolarHBondContact O-NH2 3.34Å
271K97.3Very high97.7Very high58 Ų5832.4 Ų32.425%0.25218%0.175SC..SBendtrans-135.7151.5172.1-64.8-68.5-175.6-175.90108.5K68 G92 C93 T94 A269 D297 Y298K68-K271 HydrophobicContact CG-CB 4.27Å; K68-K271 HydrophobicContact CG-CG 4.09Å; G92-K271 WeakPolarHBondContact O-CB 3.36Å; C93-K271 WeakPolarHBondContact CA-O 3.29Å; C93-K271 HydrophobicContact CB-CB 4.23Å; T94-K271 PolarHBondContact N-O 3.1Å; A269-K271 PolarHBondContact O-N 3.27Å; K271-D297 VanDerWaalsContact CA-OD2 3.3Å; K271-D297 WeakPolarHBondContact CA-OD2 3.37Å; K271-D297 HydrophobicContact CD-CB 3.97Å; K271-D297 WeakPolarHBondContact CD-OD1 3.19Å; K271-D297 VanDerWaalsContact CD-OD2 3.29Å; K271-D297 WeakPolarHBondContact CD-OD2 3.13Å; K271-D297 WeakPolarHBondContact CE-OD1 3.32Å; K271-D297 IonicContact NZ-OD1 3.38Å; K271-D297 PolarHBondContact NZ-OD1 2.93Å; K271-Y298 HydrophobicContact CB-CE2 4.44Å
272T98.7Very high97.7Very high0 Ų027.8 Ų27.80%016%0.155CC..EExtended strand (participates in β ladder)trans-128.6140.7173.859.60000111.8T94 F96 A269 N290 R293 A296 D297 Y298T94-T272 VanDerWaalsContact O-CA 3.28Å; T94-T272 WeakPolarHBondContact O-CA 3.49Å; F96-T272 HydrophobicContact CE2-CG2 3.82Å; A269-T272 HydrophobicContact CB-CG2 3.47Å; A269-T272 VanDerWaalsContact CB-CG2 3.47Å; T272-N290 WeakPolarHBondContact CB-OD1 3.34Å; T272-N290 WeakPolarHBondContact CG2-OD1 3.46Å; T272-N290 PolarHBondContact OG1-OD1 2.82Å; T272-R293 PolarHBondContact OG1-NH1 2.8Å; T272-A296 WeakPolarHBondContact OG1-CA 3.43Å; T272-D297 PolarHBondContact N-OD2 3.16Å; T272-D297 PolarHBondContact O-N 2.83Å; T272-Y298 PolarHBondContact O-N 3.21Å
273G98.8Very high97.8Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-117.8135.917100000110.3T94 I95 F96 Y298T94-G273 PolarHBondContact O-N 3.47Å; I95-G273 WeakPolarHBondContact CA-O 3.41Å; F96-G273 PolarHBondContact N-O 3.2Å; G273-Y298 WeakPolarHBondContact CA-O 3.33Å
274M98.9Very high97.8Very high0 Ų030.1 Ų30.10%017%0.165CC..EExtended strand (participates in β ladder)trans-109.4124.8174.1-57.5-174-56.800110I276 I286 A287 N290 A296 Y298 A299 V300 Y301 I326M274-I276 HydrophobicContact CB-CD1 4.28Å; M274-I276 HydrophobicContact CB-CG1 4.21Å; M274-I286 HydrophobicContact CB-CG2 4.26Å; M274-I286 HydrophobicContact CG-CG2 3.76Å; M274-I286 HydrophobicContact SD-CG2 3.74Å; M274-A287 HydrophobicContact SD-CB 4.34Å; M274-N290 HydrophobicContact SD-CB 4.09Å; M274-A296 HydrophobicContact CE-CB 3.71Å; M274-A296 HydrophobicContact CG-CB 3.76Å; M274-A296 HydrophobicContact SD-CB 3.86Å; M274-Y298 PolarHBondContact N-O 2.87Å; M274-A299 HydrophobicContact CB-CB 4.41Å; M274-A299 HydrophobicContact CE-CB 3.75Å; M274-A299 CarbonylContact O-C 3.46Å; M274-A299 WeakPolarHBondContact O-CA 3.43Å; M274-V300 PolarHBondContact O-N 2.67Å; M274-Y301 HydrophobicContact CE-CE1 4.23Å; M274-I326 HydrophobicContact CE-CD1 4.01Å; M274-I326 HydrophobicContact CE-CG1 3.61Å
275I98.9Very high97.8Very high1 Ų130.7 Ų30.71%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-117.5109.3168.9-56.7175.7000106.6I62 M65 I95 F96 L97 G98 L277 V300 F343 F351I62-I275 HydrophobicContact CD1-CD1 4.07Å; I62-I275 HydrophobicContact CD1-CG1 4.33Å; I62-I275 HydrophobicContact CD1-CG2 4.46Å; I62-I275 HydrophobicContact CG1-CD1 3.92Å; I62-I275 HydrophobicContact CG1-CG1 4.15Å; I62-I275 HydrophobicContact CG2-CD1 4.18Å; M65-I275 HydrophobicContact CE-CG1 4.25Å; M65-I275 HydrophobicContact SD-CD1 4.17Å; M65-I275 HydrophobicContact SD-CG1 3.9Å; I95-I275 HydrophobicContact CG2-CD1 3.96Å; I95-I275 HydrophobicContact CG2-CG1 4.35Å; F96-I275 PolarHBondContact O-N 2.61Å; L97-I275 WeakPolarHBondContact CA-O 3.36Å; L97-I275 HydrophobicContact CD1-CB 4.11Å; L97-I275 HydrophobicContact CD1-CG2 3.95Å; G98-I275 PolarHBondContact N-O 2.94Å; I275-L277 HydrophobicContact CG2-CD2 4.32Å; I275-V300 WeakPolarHBondContact CA-O 3.14Å; I275-F343 HydrophobicContact CG2-CE2 4.22Å; I275-F351 HydrophobicContact CD1-CE2 3.77Å; I275-F351 HydrophobicContact CD1-CZ 3.58Å
276I98.9Very high97.9Very high0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-122114.9-172-50.6-173.4000109.9M274 K283 I286 V300 Y301 V302M274-I276 HydrophobicContact CB-CD1 4.28Å; M274-I276 HydrophobicContact CB-CG1 4.21Å; I276-K283 HydrophobicContact CD1-CG 4.22Å; I276-K283 HydrophobicContact CG2-CB 3.78Å; I276-K283 HydrophobicContact CG2-CG 4.2Å; I276-I286 HydrophobicContact CD1-CB 4.29Å; I276-I286 HydrophobicContact CD1-CG2 4.23Å; I276-I286 HydrophobicContact CG1-CD1 4.49Å; I276-V300 PolarHBondContact N-O 2.73Å; I276-Y301 HydrophobicContact CB-CD1 3.82Å; I276-Y301 HydrophobicContact CB-CE1 4.2Å; I276-Y301 HydrophobicContact CD1-CD1 4.02Å; I276-Y301 HydrophobicContact CD1-CE1 3.46Å; I276-Y301 VanDerWaalsContact CD1-CE1 3.46Å; I276-Y301 HydrophobicContact CG1-CD1 4Å; I276-Y301 HydrophobicContact CG1-CE1 3.91Å; I276-Y301 WeakPolarHBondContact O-CA 3.45Å; I276-V302 PolarHBondContact O-N 2.96Å
277L98.9Very high98Very high1 Ų128.2 Ų28.21%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-103103.2179-46.6179.6000109.1G98 Y99 T100 L103 I275 V302 A339 F343G98-L277 PolarHBondContact O-N 3.24Å; Y99-L277 VanDerWaalsContact CA-O 3.31Å; Y99-L277 WeakPolarHBondContact CA-O 3.32Å; T100-L277 PolarHBondContact N-O 3.13Å; L103-L277 HydrophobicContact CD1-CB 3.36Å; L103-L277 HydrophobicContact CD1-CD1 4.19Å; L103-L277 HydrophobicContact CD1-CG 4.44Å; I275-L277 HydrophobicContact CG2-CD2 4.32Å; L277-V302 CarbonylContact C-O 3.52Å; L277-V302 WeakPolarHBondContact CA-O 3.26Å; L277-V302 HydrophobicContact CD2-CB 3.85Å; L277-V302 HydrophobicContact CD2-CG2 3.98Å; L277-A339 HydrophobicContact CB-CB 4.32Å; L277-F343 HydrophobicContact CD1-CB 4.39Å; L277-F343 HydrophobicContact CD1-CD1 3.8Å; L277-F343 HydrophobicContact CD1-CD2 3.59Å; L277-F343 HydrophobicContact CD1-CE1 3.83Å; L277-F343 HydrophobicContact CD1-CE2 3.65Å; L277-F343 HydrophobicContact CD1-CG 3.65Å; L277-F343 HydrophobicContact CD1-CZ 3.75Å; L277-F343 HydrophobicContact CD2-CD2 3.48Å; L277-F343 VanDerWaalsContact CD2-CD2 3.48Å; L277-F343 HydrophobicContact CD2-CE2 3.84Å; L277-F343 HydrophobicContact CD2-CG 4.14Å; L277-F343 HydrophobicContact CG-CD2 4.16Å; L277-F343 HydrophobicContact CG-CE2 4.24Å
278G98.8Very high98.1Very high14 Ų1427 Ų2714%0.14414%0.142CC..SBendtrans99.9-153.7-172.300000113.5V302 N303G278-V302 PolarHBondContact N-O 3.16Å; G278-N303 WeakPolarHBondContact O-CB 3.32Å; G278-N303 PolarHBondContact O-ND2 2.91Å
279G98.4Very high98.2Very high11 Ų1121.6 Ų21.611%0.11312%0.118CC..  trans-142.2-149.7-171.400000112.6V282G279-V282 VanDerWaalsContact O-CG2 3.23Å; G279-V282 WeakPolarHBondContact O-CG2 3.29Å
280G98.4Very high98.4Very high31 Ų3121 Ų2132%0.3211%0.114SC..Hα-helixtrans64.2-145.617400000113.8V282 K283 H284 S313G280-V282 VanDerWaalsContact C-N 3.28Å; G280-V282 PolarHBondContact O-N 2.67Å; G280-K283 PolarHBondContact O-N 3.03Å; G280-H284 PolarHBondContact O-N 3.44Å; G280-H284 VanDerWaalsContact O-N 3.1Å; G280-S313 PolarHBondContact N-OG 3.44Å
281L98.3Very high98.7Very high61 Ų6118.2 Ų18.232%0.31910%0.104SC..Hα-helixtrans-54.6-44.2-174.4-174.6144.8000112.2T127 P230 A231 K283 H284 H285T127-L281 HydrophobicContact CG2-CB 4.42Å; P230-L281 HydrophobicContact CG-CD1 3.86Å; P230-L281 HydrophobicContact CG-CD2 3.46Å; P230-L281 VanDerWaalsContact CG-CD2 3.46Å; P230-L281 HydrophobicContact CG-CG 4.1Å; A231-L281 HydrophobicContact CB-CD1 3.98Å; L281-K283 VanDerWaalsContact C-N 3.34Å; L281-K283 PolarHBondContact O-N 3.41Å; L281-H284 PolarHBondContact O-N 3.29Å; L281-H285 HydrophobicContact CD2-CB 4.36Å; L281-H285 WeakPolarHBondContact O-CB 3.43Å; L281-H285 PolarHBondContact O-N 2.94Å
282V98.2Very high98.7Very high1 Ų120 Ų201%0.00611%0.114CC..Hα-helixtrans-65.2-41.2-173.5-54.10000111.2Y99 T100 V125 T126 T127 G279 G280 I286Y99-V282 WeakPolarHBondContact O-CG1 3.47Å; T100-V282 HydrophobicContact CG2-CG2 4.09Å; V125-V282 HydrophobicContact CG1-CB 4.4Å; V125-V282 HydrophobicContact CG1-CG1 4.46Å; T126-V282 VanDerWaalsContact CA-CG1 3.47Å; T127-V282 HydrophobicContact CG2-CG1 4.09Å; G279-V282 VanDerWaalsContact O-CG2 3.23Å; G279-V282 WeakPolarHBondContact O-CG2 3.29Å; G280-V282 VanDerWaalsContact C-N 3.28Å; G280-V282 PolarHBondContact O-N 2.67Å; V282-I286 WeakPolarHBondContact O-CG1 3.38Å; V282-I286 PolarHBondContact O-N 3.27Å
283K98.9Very high98.6Very high4 Ų421.8 Ų21.82%0.01712%0.121CC..Hα-helixtrans-62.3-54175.1175178.1169.4-79.40110.5I276 G280 L281 H285 A287 D312I276-K283 HydrophobicContact CD1-CG 4.22Å; I276-K283 HydrophobicContact CG2-CB 3.78Å; I276-K283 HydrophobicContact CG2-CG 4.2Å; G280-K283 PolarHBondContact O-N 3.03Å; L281-K283 VanDerWaalsContact C-N 3.34Å; L281-K283 PolarHBondContact O-N 3.41Å; K283-H285 PolarHBondContact O-N 3.33Å; K283-A287 WeakPolarHBondContact O-CB 3.29Å; K283-A287 PolarHBondContact O-N 3.46Å; K283-A287 VanDerWaalsContact O-N 3.12Å; K283-D312 VanDerWaalsContact CE-O 3.27Å; K283-D312 WeakPolarHBondContact CE-O 3.39Å; K283-D312 PolarHBondContact NZ-O 3.27Å; K283-D312 IonicContact NZ-OD1 3.37Å; K283-D312 PolarHBondContact NZ-OD1 2.99Å; K283-D312 VanDerWaalsContact NZ-OD1 3.08Å; K283-D312 IonicContact NZ-OD2 3.01Å; K283-D312 PolarHBondContact NZ-OD2 3.17Å
284H98.9Very high98.6Very high73 Ų7327.8 Ų27.834%0.33815%0.153SC..Hα-helixtrans-64.9-42-174.3-172.5-87.3000111.8G280 L281 A287 N288 D312 K325G280-H284 PolarHBondContact O-N 3.44Å; G280-H284 VanDerWaalsContact O-N 3.1Å; L281-H284 PolarHBondContact O-N 3.29Å; H284-A287 PolarHBondContact O-N 3.01Å; H284-N288 WeakPolarHBondContact O-CB 3.5Å; H284-N288 PolarHBondContact O-N 3.24Å; H284-D312 IonicContact CD2-OD1 3.84Å; H284-K325 PolarHBondContact CD2-NZ 3.33Å; H284-K325 PolarHBondContact NE2-NZ 3.43Å
285H98.8Very high98.6Very high32 Ų3227.8 Ų27.815%0.14815%0.153CC..Hα-helixtrans-66.5-42.8-175.2-150.565.6000112.1V125 L262 L281 K283 A289V125-H285 HydrophobicContact CG1-CB 4.3Å; L262-H285 WeakPolarHBondContact CD2-CD2 3.44Å; L262-H285 WeakPolarHBondContact CD2-NE2 3.06Å; L281-H285 HydrophobicContact CD2-CB 4.36Å; L281-H285 WeakPolarHBondContact O-CB 3.43Å; L281-H285 PolarHBondContact O-N 2.94Å; K283-H285 PolarHBondContact O-N 3.33Å; H285-A289 PolarHBondContact O-N 2.92Å
286I98.9Very high98.6Very high0 Ų027.7 Ų27.70%015%0.152CC..Hα-helixtrans-64.2-48173.9-67.9173.8000111.2F96 V125 M274 I276 V282 N288 A289 N290F96-I286 HydrophobicContact CB-CD1 4.36Å; F96-I286 HydrophobicContact CB-CG1 4.47Å; F96-I286 HydrophobicContact CB-CG2 3.61Å; F96-I286 HydrophobicContact CD1-CG2 4.33Å; F96-I286 HydrophobicContact CG-CG2 4.14Å; V125-I286 HydrophobicContact CB-CD1 3.87Å; V125-I286 HydrophobicContact CB-CG1 3.75Å; V125-I286 HydrophobicContact CG1-CG1 4.47Å; V125-I286 HydrophobicContact CG2-CD1 3.9Å; V125-I286 HydrophobicContact CG2-CG1 3.41Å; V125-I286 VanDerWaalsContact CG2-CG1 3.41Å; M274-I286 HydrophobicContact CB-CG2 4.26Å; M274-I286 HydrophobicContact CG-CG2 3.76Å; M274-I286 HydrophobicContact SD-CG2 3.74Å; I276-I286 HydrophobicContact CD1-CB 4.29Å; I276-I286 HydrophobicContact CD1-CG2 4.23Å; I276-I286 HydrophobicContact CG1-CD1 4.49Å; V282-I286 WeakPolarHBondContact O-CG1 3.38Å; V282-I286 PolarHBondContact O-N 3.27Å; I286-N288 VanDerWaalsContact C-N 3.3Å; I286-N288 PolarHBondContact O-N 2.88Å; I286-A289 PolarHBondContact O-N 2.83Å; I286-N290 PolarHBondContact O-N 3.27Å; I286-N290 VanDerWaalsContact O-N 3.13Å; I286-N290 PolarHBondContact O-ND2 3.42Å
287A98.8Very high98.6Very high1 Ų128.4 Ų28.41%0.00816%0.156CC..Hα-helixtrans-64.1-38.1-178.400000111.5M274 K283 H284 N290 L291 K325M274-A287 HydrophobicContact SD-CB 4.34Å; K283-A287 WeakPolarHBondContact O-CB 3.29Å; K283-A287 PolarHBondContact O-N 3.46Å; K283-A287 VanDerWaalsContact O-N 3.12Å; H284-A287 PolarHBondContact O-N 3.01Å; A287-N290 PolarHBondContact O-N 3.04Å; A287-L291 PolarHBondContact O-N 2.81Å; A287-K325 HydrophobicContact CB-CB 4.18Å; A287-K325 HydrophobicContact CB-CD 4.05Å; A287-K325 HydrophobicContact CB-CG 4.38Å; A287-K325 WeakPolarHBondContact O-CG 3.21Å
288N98.8Very high98.6Very high44 Ų4429.5 Ų29.524%0.23516%0.16CC..Hα-helixtrans-70.4-32.6177.1-165.173.1000113H284 I286 N290 L291H284-N288 WeakPolarHBondContact O-CB 3.5Å; H284-N288 PolarHBondContact O-N 3.24Å; I286-N288 VanDerWaalsContact C-N 3.3Å; I286-N288 PolarHBondContact O-N 2.88Å; N288-N290 VanDerWaalsContact C-N 3.3Å; N288-L291 WeakPolarHBondContact O-CB 3.38Å; N288-L291 PolarHBondContact O-N 3.09Å
289A98.8Very high98.6Very high0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-63.2-40.717000000111L262 N263 A266 H285 I286 L291 M292L262-A289 HydrophobicContact CD1-CB 4.34Å; L262-A289 HydrophobicContact CD2-CB 4.12Å; L262-A289 HydrophobicContact CG-CB 3.79Å; N263-A289 WeakPolarHBondContact OD1-CA 3.37Å; A266-A289 HydrophobicContact CB-CB 4.2Å; A266-A289 VanDerWaalsContact CB-O 3.26Å; A266-A289 WeakPolarHBondContact CB-O 3.41Å; H285-A289 PolarHBondContact O-N 2.92Å; I286-A289 PolarHBondContact O-N 2.83Å; A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 3.12Å; A289-M292 VanDerWaalsContact O-CB 3.32Å; A289-M292 WeakPolarHBondContact O-CB 3.39Å; A289-M292 PolarHBondContact O-N 3.39Å; A289-M292 VanDerWaalsContact O-N 3.16Å
290N98.8Very high98.6Very high0 Ų028.4 Ų28.40%015%0.149CC..Hα-helixtrans-72.6-21178.2-78.8-83.8000113.9T272 M274 I286 A287 N288 M292 R293 G295 A296T272-N290 WeakPolarHBondContact CB-OD1 3.34Å; T272-N290 WeakPolarHBondContact CG2-OD1 3.46Å; T272-N290 PolarHBondContact OG1-OD1 2.82Å; M274-N290 HydrophobicContact SD-CB 4.09Å; I286-N290 PolarHBondContact O-N 3.27Å; I286-N290 VanDerWaalsContact O-N 3.13Å; I286-N290 PolarHBondContact O-ND2 3.42Å; A287-N290 PolarHBondContact O-N 3.04Å; N288-N290 VanDerWaalsContact C-N 3.3Å; N290-M292 PolarHBondContact O-N 3.11Å; N290-R293 WeakPolarHBondContact O-CG 3.29Å; N290-R293 PolarHBondContact O-N 3.1Å; N290-G295 VanDerWaalsContact O-CA 3.24Å; N290-G295 WeakPolarHBondContact O-CA 3.49Å; N290-G295 PolarHBondContact O-N 3.28Å; N290-A296 HydrophobicContact CB-CB 4.1Å
291L98.5Very high98.6Very high51 Ų5127 Ų2727%0.26713%0.134SC..Hα-helixtrans-56.4-37.2167.3175.958.2000111.8A287 N288 A289 R293 N294 W323 K325A287-L291 PolarHBondContact O-N 2.81Å; N288-L291 WeakPolarHBondContact O-CB 3.38Å; N288-L291 PolarHBondContact O-N 3.09Å; A289-L291 VanDerWaalsContact C-N 3.32Å; A289-L291 PolarHBondContact O-N 3.12Å; L291-R293 PolarHBondContact O-N 2.9Å; L291-N294 PolarHBondContact O-N 3.47Å; L291-W323 WeakPolarHBondContact CD1-O 3.15Å; L291-K325 HydrophobicContact CB-CG 4.04Å
292M98.1Very high98.6Very high94 Ų9424.1 Ų24.146%0.46312%0.119SC..THydrogen-bonded Turntrans-64-13.6-176.2-57.7-63.417000113.8N263 V267 A289 N290N263-M292 HydrophobicContact CB-CG 4.2Å; V267-M292 HydrophobicContact CG2-CB 3.56Å; A289-M292 VanDerWaalsContact O-CB 3.32Å; A289-M292 WeakPolarHBondContact O-CB 3.39Å; A289-M292 PolarHBondContact O-N 3.39Å; A289-M292 VanDerWaalsContact O-N 3.16Å; N290-M292 PolarHBondContact O-N 3.11Å
293R97.8Very high98.7Very high38 Ų3824.4 Ų24.414%0.14312%0.12CC..THydrogen-bonded Turntrans-113.618.9174.665.3178.5-49.7-90.37.9113.3A266 A269 K270 T272 N290 L291 G295 D297A266-R293 WeakPolarHBondContact O-CD 3.41Å; A266-R293 PolarHBondContact O-NE 2.87Å; A269-R293 PolarHBondContact O-NH2 3.3Å; A269-R293 VanDerWaalsContact O-NH2 3.08Å; K270-R293 PolarHBondContact O-NH2 3.34Å; T272-R293 PolarHBondContact OG1-NH1 2.8Å; N290-R293 WeakPolarHBondContact O-CG 3.29Å; N290-R293 PolarHBondContact O-N 3.1Å; L291-R293 PolarHBondContact O-N 2.9Å; R293-G295 VanDerWaalsContact C-N 3.32Å; R293-G295 PolarHBondContact NH1-O 3.1Å; R293-D297 IonicContact CZ-OD2 3.68Å; R293-D297 IonicContact NH1-OD2 3.75Å; R293-D297 PolarHBondContact NH1-OD2 3.43Å; R293-D297 IonicContact NH2-OD2 2.8Å; R293-D297 PolarHBondContact NH2-OD2 3.17Å
294N98Very high98.7Very high126 Ų12628.9 Ų28.967%0.67415%0.148SC*.THydrogen-bonded Turntrans60.236.7-172.4-63.6-46.3000114L291 G324 R327L291-N294 PolarHBondContact O-N 3.47Å; N294-G324 CarbonylContact C-O 3.56Å; N294-R327 WeakPolarHBondContact O-CG 3.37Å
295G98.3Very high98.7Very high0 Ų026.3 Ų26.30%014%0.141CC..SBendtrans104.2156.6166.500000114.7N290 R293 G324 K325 R327N290-G295 VanDerWaalsContact O-CA 3.24Å; N290-G295 WeakPolarHBondContact O-CA 3.49Å; N290-G295 PolarHBondContact O-N 3.28Å; R293-G295 VanDerWaalsContact C-N 3.32Å; R293-G295 PolarHBondContact NH1-O 3.1Å; G295-G324 WeakPolarHBondContact CA-O 3.47Å; G295-G324 PolarHBondContact N-O 3.32Å; G295-K325 VanDerWaalsContact CA-O 3.32Å; G295-K325 WeakPolarHBondContact CA-O 3.48Å; G295-R327 WeakPolarHBondContact O-CG 3.27Å
296A98.7Very high98.6Very high0 Ų029 Ų290%015%0.154CC..BIsolated β-bridgetrans-74.7146.3173.200000112.4T272 M274 N290 K325 R327T272-A296 WeakPolarHBondContact OG1-CA 3.43Å; M274-A296 HydrophobicContact CE-CB 3.71Å; M274-A296 HydrophobicContact CG-CB 3.76Å; M274-A296 HydrophobicContact SD-CB 3.86Å; N290-A296 HydrophobicContact CB-CB 4.1Å; A296-K325 PolarHBondContact N-O 3.21Å; A296-R327 WeakPolarHBondContact O-CG 3.06Å; A296-R327 PolarHBondContact O-N 3.42Å; A296-R327 VanDerWaalsContact O-N 3.09Å
297D98.8Very high98.6Very high14 Ų1433.6 Ų33.68%0.07518%0.176CC..SBendtrans-79.3-30.5179.1-61.1-92.2000112.6K271 T272 R293 R327 A330K271-D297 VanDerWaalsContact CA-OD2 3.3Å; K271-D297 WeakPolarHBondContact CA-OD2 3.37Å; K271-D297 HydrophobicContact CD-CB 3.97Å; K271-D297 WeakPolarHBondContact CD-OD1 3.19Å; K271-D297 VanDerWaalsContact CD-OD2 3.29Å; K271-D297 WeakPolarHBondContact CD-OD2 3.13Å; K271-D297 WeakPolarHBondContact CE-OD1 3.32Å; K271-D297 IonicContact NZ-OD1 3.38Å; K271-D297 PolarHBondContact NZ-OD1 2.93Å; T272-D297 PolarHBondContact N-OD2 3.16Å; T272-D297 PolarHBondContact O-N 2.83Å; R293-D297 IonicContact CZ-OD2 3.68Å; R293-D297 IonicContact NH1-OD2 3.75Å; R293-D297 PolarHBondContact NH1-OD2 3.43Å; R293-D297 IonicContact NH2-OD2 2.8Å; R293-D297 PolarHBondContact NH2-OD2 3.17Å; D297-R327 VanDerWaalsContact OD1-CD 3.3Å; D297-R327 WeakPolarHBondContact OD1-CD 3.43Å; D297-R327 IonicContact OD1-NE 3.85Å; D297-A330 WeakPolarHBondContact O-CB 3.35Å
298Y98.9Very high98.6Very high25 Ų2542 Ų4210%0.09821%0.212CC..EExtended strand (participates in β ladder)trans-134.9142.1179.2-46.7-87.5000109.3E61 R64 M65 K68 K271 T272 G273 M274E61-Y298 WeakPolarHBondContact OE1-CD1 3.3Å; R64-Y298 HydrophobicContact CB-CD1 4.2Å; R64-Y298 HydrophobicContact CB-CE1 3.87Å; M65-Y298 VanDerWaalsContact CE-CB 3.48Å; M65-Y298 VanDerWaalsContact CG-CB 3.5Å; M65-Y298 HydrophobicContact CG-CD1 4.38Å; M65-Y298 HydrophobicContact CG-CD2 4Å; M65-Y298 HydrophobicContact CG-CG 3.72Å; K68-Y298 HydrophobicContact CB-CE2 4.32Å; K68-Y298 HydrophobicContact CG-CE2 4.27Å; K271-Y298 HydrophobicContact CB-CE2 4.44Å; T272-Y298 PolarHBondContact O-N 3.21Å; G273-Y298 WeakPolarHBondContact CA-O 3.33Å; M274-Y298 PolarHBondContact N-O 2.87Å
299A98.9Very high98.5Very high1 Ų144.5 Ų44.51%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-149.4130.2176.500000112.5M274 Y301 I326 P332 V333M274-A299 HydrophobicContact CB-CB 4.41Å; M274-A299 HydrophobicContact CE-CB 3.75Å; M274-A299 CarbonylContact O-C 3.46Å; M274-A299 WeakPolarHBondContact O-CA 3.43Å; A299-Y301 HydrophobicContact CB-CE1 4.39Å; A299-I326 HydrophobicContact CB-CD1 3.73Å; A299-I326 HydrophobicContact CB-CG1 4.27Å; A299-P332 HydrophobicContact CB-CB 3.99Å; A299-P332 WeakPolarHBondContact O-CA 3.11Å; A299-V333 PolarHBondContact O-N 3.39Å
300V98.9Very high98.5Very high0 Ų047.7 Ų47.70%026%0.259CS..EExtended strand (participates in β ladder)trans-128.1121172.6174.40000109.4A58 E61 I62 M65 M274 I275 I276 V302 V333A58-V300 HydrophobicContact CB-CG1 3.66Å; A58-V300 HydrophobicContact CB-CG2 4.32Å; E61-V300 HydrophobicContact CB-CG2 3.83Å; E61-V300 HydrophobicContact CG-CG2 4.02Å; I62-V300 HydrophobicContact CD1-CB 4.31Å; I62-V300 HydrophobicContact CD1-CG1 4.14Å; I62-V300 HydrophobicContact CD1-CG2 4.32Å; I62-V300 HydrophobicContact CG1-CB 4.29Å; I62-V300 HydrophobicContact CG1-CG2 3.9Å; M65-V300 HydrophobicContact CE-CB 4.5Å; M65-V300 HydrophobicContact CE-CG2 4.01Å; M274-V300 PolarHBondContact O-N 2.67Å; I275-V300 WeakPolarHBondContact CA-O 3.14Å; I276-V300 PolarHBondContact N-O 2.73Å; V300-V302 HydrophobicContact CG1-CG2 4.39Å; V300-V333 CarbonylContact C-O 3.58Å; V300-V333 WeakPolarHBondContact CA-O 3.47Å; V300-V333 HydrophobicContact CG2-CB 4.44Å
301Y98.9Very high98.5Very high1 Ų149.3 Ų49.30%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-108133.6173.9-61.8-10.6000109.9M274 I276 A299 P317 V333 K334 V335M274-Y301 HydrophobicContact CE-CE1 4.23Å; I276-Y301 HydrophobicContact CB-CD1 3.82Å; I276-Y301 HydrophobicContact CB-CE1 4.2Å; I276-Y301 HydrophobicContact CD1-CD1 4.02Å; I276-Y301 HydrophobicContact CD1-CE1 3.46Å; I276-Y301 VanDerWaalsContact CD1-CE1 3.46Å; I276-Y301 HydrophobicContact CG1-CD1 4Å; I276-Y301 HydrophobicContact CG1-CE1 3.91Å; I276-Y301 WeakPolarHBondContact O-CA 3.45Å; A299-Y301 HydrophobicContact CB-CE1 4.39Å; Y301-P317 HydrophobicContact CD2-CB 4.46Å; Y301-P317 HydrophobicContact CD2-CG 3.83Å; Y301-P317 HydrophobicContact CE2-CB 4.21Å; Y301-P317 HydrophobicContact CE2-CG 4.07Å; Y301-V333 PolarHBondContact N-O 2.95Å; Y301-K334 CarbonylContact O-C 3.56Å; Y301-K334 WeakPolarHBondContact O-CA 3.36Å; Y301-V335 PolarHBondContact O-N 3.05Å
302V98.9Very high98.5Very high1 Ų149.1 Ų49.11%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-124.6102.6169.9-178.20000107.4I276 L277 G278 V300 V335 A339 V342 I346I276-V302 PolarHBondContact O-N 2.96Å; L277-V302 CarbonylContact C-O 3.52Å; L277-V302 WeakPolarHBondContact CA-O 3.26Å; L277-V302 HydrophobicContact CD2-CB 3.85Å; L277-V302 HydrophobicContact CD2-CG2 3.98Å; G278-V302 PolarHBondContact N-O 3.16Å; V300-V302 HydrophobicContact CG1-CG2 4.39Å; V302-V335 WeakPolarHBondContact CA-O 3.32Å; V302-V335 HydrophobicContact CG2-CB 4.27Å; V302-V335 HydrophobicContact CG2-CG2 4.45Å; V302-A339 HydrophobicContact CG1-CB 3.91Å; V302-V342 HydrophobicContact CG1-CG2 3.38Å; V302-I346 HydrophobicContact CG2-CD1 3.92Å
303N98.8Very high98.5Very high7 Ų746.6 Ų46.64%0.03726%0.261CS..EExtended strand (participates in β ladder)trans-156168179.368.952.8000112.6G278 G305 K334 V335 Y336 A337G278-N303 WeakPolarHBondContact O-CB 3.32Å; G278-N303 PolarHBondContact O-ND2 2.91Å; N303-G305 PolarHBondContact OD1-N 3.09Å; N303-K334 WeakPolarHBondContact OD1-CE 3.05Å; N303-K334 PolarHBondContact OD1-NZ 3.24Å; N303-V335 PolarHBondContact N-O 3.05Å; N303-Y336 WeakPolarHBondContact O-CA 3.07Å; N303-A337 PolarHBondContact O-N 3.06Å
304T98.9Very high98.5Very high99 Ų9944.8 Ų44.861%0.60725%0.254SS*.  trans-1011.2-179.1530000113.3
305G98.5Very high98.5Very high19 Ų1938.9 Ų38.920%0.19622%0.223CC..  trans-70.1142.2-177.600000112.5N303 G314 K334N303-G305 PolarHBondContact OD1-N 3.09Å; G305-G314 VanDerWaalsContact C-CA 3.46Å; G305-K334 PolarHBondContact O-NZ 2.83Å
306Q98.6Very high98.5Very high89 Ų8944.5 Ų44.542%0.41624%0.244SC..  trans-115.5146.8-176.9-59.5-62.1-23.100111F308 G314Q306-F308 HydrophobicContact CB-CD1 3.6Å; Q306-F308 HydrophobicContact CB-CE1 3.6Å; Q306-F308 HydrophobicContact CG-CE1 4.24Å; Q306-F308 PolarHBondContact O-N 3.03Å; Q306-G314 WeakPolarHBondContact O-CA 3.44Å
307E97.9Very high98.5Very high96 Ų9645 Ų4545%0.44925%0.248SC..G310 helixtrans-75.6-19.5-17168.4-177.616600114.7D309 G310 R316E307-D309 PolarHBondContact O-N 3Å; E307-D309 VanDerWaalsContact O-N 3.11Å; E307-G310 PolarHBondContact O-N 3.27Å; E307-G310 VanDerWaalsContact O-N 3.12Å; E307-R316 IonicContact OE1-NE 2.65Å; E307-R316 IonicContact OE2-CZ 2.71Å; E307-R316 IonicContact OE2-NE 3.15Å; E307-R316 PolarHBondContact OE2-NE 2.86Å; E307-R316 IonicContact OE2-NH2 3.95Å; E307-R316 PolarHBondContact OE2-NH2 2.91Å
308F98.1Very high98.5Very high176 Ų17649.6 Ų49.677%0.77227%0.272SS*.G310 helixtrans-65.3-20.5-167.772.7-96.6000114.4Q306Q306-F308 HydrophobicContact CB-CD1 3.6Å; Q306-F308 HydrophobicContact CB-CE1 3.6Å; Q306-F308 HydrophobicContact CG-CE1 4.24Å; Q306-F308 PolarHBondContact O-N 3.03Å
309D97.9Very high98.5Very high97 Ų9752.3 Ų52.352%0.51929%0.286SS..G310 helixtrans-92.7-1.6-17967.110.3000113.5E307 S311E307-D309 PolarHBondContact O-N 3Å; E307-D309 VanDerWaalsContact O-N 3.11Å; D309-S311 PolarHBondContact O-N 2.85Å; D309-S311 WeakPolarHBondContact OD1-CB 3.24Å; D309-S311 PolarHBondContact OD1-N 3.01Å; D309-S311 PolarHBondContact OD1-OG 3.28Å
310G98Very high98.5Very high68 Ų6852.7 Ų52.770%0.70129%0.288SS*.  trans70.216.2-179.100000114.4E307E307-G310 PolarHBondContact O-N 3.27Å; E307-G310 VanDerWaalsContact O-N 3.12Å
311S98.6Very high98.4Very high34 Ų3454.1 Ų54.124%0.23830%0.297CS..  trans-76.6140.5178.2670000112.5D309 S313 G314 A315D309-S311 PolarHBondContact O-N 2.85Å; D309-S311 WeakPolarHBondContact OD1-CB 3.24Å; D309-S311 PolarHBondContact OD1-N 3.01Å; D309-S311 PolarHBondContact OD1-OG 3.28Å; S311-S313 PolarHBondContact O-N 3.37Å; S311-G314 PolarHBondContact O-N 2.76Å; S311-G314 PolarHBondContact OG-N 3.06Å; S311-A315 PolarHBondContact O-N 3.26Å
312D98.4Very high98.4Very high47 Ų4758.7 Ų58.725%0.25133%0.329SS..THydrogen-bonded Turntrans-58-36.1169.9179.385.2000110.7K283 H284 G314 A315K283-D312 VanDerWaalsContact CE-O 3.27Å; K283-D312 WeakPolarHBondContact CE-O 3.39Å; K283-D312 PolarHBondContact NZ-O 3.27Å; K283-D312 IonicContact NZ-OD1 3.37Å; K283-D312 PolarHBondContact NZ-OD1 2.99Å; K283-D312 VanDerWaalsContact NZ-OD1 3.08Å; K283-D312 IonicContact NZ-OD2 3.01Å; K283-D312 PolarHBondContact NZ-OD2 3.17Å; H284-D312 IonicContact CD2-OD1 3.84Å; D312-G314 VanDerWaalsContact C-N 3.28Å; D312-G314 PolarHBondContact O-N 2.82Å; D312-A315 WeakPolarHBondContact O-CB 3.29Å; D312-A315 PolarHBondContact O-N 3.32Å
313S98.1Very high98.4Very high41 Ų4166 Ų6629%0.28736%0.357SS..THydrogen-bonded Turntrans-56-41.8174.8-63.30000112.9G280 S311G280-S313 PolarHBondContact N-OG 3.44Å; S311-S313 PolarHBondContact O-N 3.37Å
314G98.2Very high98.3Very high0 Ų066.8 Ų66.80%037%0.366CS..THydrogen-bonded Turntrans-86.3-18.5-177.200000115.1G305 Q306 S311 D312 K334G305-G314 VanDerWaalsContact C-CA 3.46Å; Q306-G314 WeakPolarHBondContact O-CA 3.44Å; S311-G314 PolarHBondContact O-N 2.76Å; S311-G314 PolarHBondContact OG-N 3.06Å; D312-G314 VanDerWaalsContact C-N 3.28Å; D312-G314 PolarHBondContact O-N 2.82Å; G314-K334 PolarHBondContact O-NZ 3.5Å
315A98.4Very high98.3Very high2 Ų262.6 Ų62.62%0.01734%0.34CS..  trans-50140.2-179.200000113.2S311 D312 E319 K334S311-A315 PolarHBondContact O-N 3.26Å; D312-A315 WeakPolarHBondContact O-CB 3.29Å; D312-A315 PolarHBondContact O-N 3.32Å; A315-E319 HydrophobicContact CB-CB 4.22Å; A315-E319 HydrophobicContact CB-CG 4.47Å; A315-E319 WeakPolarHBondContact CB-OE2 3.26Å; A315-K334 PolarHBondContact O-NZ 3.19Å
316R98.7Very high98.3Very high117 Ų11761.8 Ų61.844%0.44233%0.331SS..  trans-72.7154.9170.9-73.6-172.9-71.9152.41.2110.1E307 D318 E319 Y336E307-R316 IonicContact OE1-NE 2.65Å; E307-R316 IonicContact OE2-CZ 2.71Å; E307-R316 IonicContact OE2-NE 3.15Å; E307-R316 PolarHBondContact OE2-NE 2.86Å; E307-R316 IonicContact OE2-NH2 3.95Å; E307-R316 PolarHBondContact OE2-NH2 2.91Å; R316-D318 PolarHBondContact O-N 3.05Å; R316-D318 VanDerWaalsContact O-N 3.16Å; R316-E319 WeakPolarHBondContact O-CB 3.47Å; R316-E319 PolarHBondContact O-N 2.93Å; R316-Y336 WeakPolarHBondContact CG-OH 3.2Å
317P98.6Very high98.3Very high12 Ų1261.1 Ų61.18%0.07832%0.324CS..Hα-helixtrans-57.4-29.7176.4-22.932000113.9Y301 E319 A320 V321 I326 P332 K334Y301-P317 HydrophobicContact CD2-CB 4.46Å; Y301-P317 HydrophobicContact CD2-CG 3.83Å; Y301-P317 HydrophobicContact CE2-CB 4.21Å; Y301-P317 HydrophobicContact CE2-CG 4.07Å; P317-E319 PolarHBondContact O-N 3.14Å; P317-A320 WeakPolarHBondContact O-CA 3.29Å; P317-A320 WeakPolarHBondContact O-CB 3.5Å; P317-A320 PolarHBondContact O-N 3.33Å; P317-V321 PolarHBondContact O-N 3.2Å; P317-V321 VanDerWaalsContact O-N 3.13Å; P317-I326 HydrophobicContact CB-CD1 3.95Å; P317-P332 HydrophobicContact CB-CB 3.52Å; P317-P332 HydrophobicContact CB-CG 3.69Å; P317-P332 HydrophobicContact CG-CB 4.25Å; P317-K334 HydrophobicContact CG-CB 3.87Å
318D98.4Very high98.3Very high110 Ų11062.7 Ų62.759%0.58834%0.341SS*.Hα-helixtrans-60.3-32.1176.1-16859.6000113R316 A320 V321 S322R316-D318 PolarHBondContact O-N 3.05Å; R316-D318 VanDerWaalsContact O-N 3.16Å; D318-A320 VanDerWaalsContact C-N 3.33Å; D318-A320 PolarHBondContact O-N 3.06Å; D318-V321 WeakPolarHBondContact O-CB 3.33Å; D318-V321 PolarHBondContact O-N 2.91Å; D318-V321 VanDerWaalsContact O-N 3.17Å; D318-S322 PolarHBondContact O-N 3.04Å
319E98.4Very high98.3Very high82 Ų8259.3 Ų59.338%0.38333%0.331SS..Hα-helixtrans-63.2-42.1171.6-170.2-177.2123.700110.7A315 R316 P317 V321 S322A315-E319 HydrophobicContact CB-CB 4.22Å; A315-E319 HydrophobicContact CB-CG 4.47Å; A315-E319 WeakPolarHBondContact CB-OE2 3.26Å; R316-E319 WeakPolarHBondContact O-CB 3.47Å; R316-E319 PolarHBondContact O-N 2.93Å; P317-E319 PolarHBondContact O-N 3.14Å; E319-V321 PolarHBondContact O-N 3.05Å; E319-S322 WeakPolarHBondContact O-CB 3.45Å; E319-S322 PolarHBondContact O-N 3.38Å; E319-S322 PolarHBondContact O-OG 3.38Å
320A98.4Very high98.3Very high8 Ų855.4 Ų55.47%0.06631%0.312CS..Hα-helixtrans-65.8-25.4176.600000112.9P317 D318 W323 G324 K325 I326P317-A320 WeakPolarHBondContact O-CA 3.29Å; P317-A320 WeakPolarHBondContact O-CB 3.5Å; P317-A320 PolarHBondContact O-N 3.33Å; D318-A320 VanDerWaalsContact C-N 3.33Å; D318-A320 PolarHBondContact O-N 3.06Å; A320-W323 PolarHBondContact O-N 3.38Å; A320-G324 PolarHBondContact O-N 3.43Å; A320-K325 HydrophobicContact CB-CB 4.1Å; A320-K325 WeakPolarHBondContact O-CB 3.34Å; A320-K325 PolarHBondContact O-N 2.85Å; A320-I326 HydrophobicContact CB-CD1 3.87Å; A320-I326 HydrophobicContact CB-CG1 3.99Å; A320-I326 PolarHBondContact O-N 3.08Å
321V98.5Very high98.3Very high31 Ų3159.2 Ų59.219%0.18831%0.309CS..Hα-helixtrans-64.9-41.5170.4178.80000110.6P317 D318 E319 W323 G324 I326 T328P317-V321 PolarHBondContact O-N 3.2Å; P317-V321 VanDerWaalsContact O-N 3.13Å; D318-V321 WeakPolarHBondContact O-CB 3.33Å; D318-V321 PolarHBondContact O-N 2.91Å; D318-V321 VanDerWaalsContact O-N 3.17Å; E319-V321 PolarHBondContact O-N 3.05Å; V321-W323 PolarHBondContact O-N 3.44Å; V321-G324 PolarHBondContact O-N 3.25Å; V321-I326 HydrophobicContact CG2-CB 3.86Å; V321-I326 HydrophobicContact CG2-CG2 3.84Å; V321-T328 HydrophobicContact CG1-CG2 4.05Å
322S98.1Very high98.3Very high96 Ų9659.4 Ų59.467%0.67131%0.31SS*.Hα-helixtrans-59.7-30178.6800000113.5D318 E319D318-S322 PolarHBondContact O-N 3.04Å; E319-S322 WeakPolarHBondContact O-CB 3.45Å; E319-S322 PolarHBondContact O-N 3.38Å; E319-S322 PolarHBondContact O-OG 3.38Å
323W98.3Very high98.3Very high155 Ų15557.9 Ų57.959%0.58730%0.302SS*.THydrogen-bonded Turntrans-83.9-12.7176.5-68.898.8000113.7L291 A320 V321 K325L291-W323 WeakPolarHBondContact CD1-O 3.15Å; A320-W323 PolarHBondContact O-N 3.38Å; V321-W323 PolarHBondContact O-N 3.44Å; W323-K325 VanDerWaalsContact C-N 3.29Å; W323-K325 HydrophobicContact CB-CD 3.95Å; W323-K325 HydrophobicContact CB-CG 3.92Å; W323-K325 HydrophobicContact CG-CD 4.39Å
324G98.3Very high98.3Very high23 Ų2356.6 Ų56.624%0.23729%0.291CS..THydrogen-bonded Turntrans75.215.8-168.100000113.9N294 G295 A320 V321 I326N294-G324 CarbonylContact C-O 3.56Å; G295-G324 WeakPolarHBondContact CA-O 3.47Å; G295-G324 PolarHBondContact N-O 3.32Å; A320-G324 PolarHBondContact O-N 3.43Å; V321-G324 PolarHBondContact O-N 3.25Å; G324-I326 VanDerWaalsContact C-N 3.35Å
325K98.6Very high98.4Very high12 Ų1256.7 Ų56.75%0.05229%0.292CS..SBendtrans-76.9-25.4173.2-68.4169.3174.6176.20111.5H284 A287 L291 G295 A296 A320 W323H284-K325 PolarHBondContact CD2-NZ 3.33Å; H284-K325 PolarHBondContact NE2-NZ 3.43Å; A287-K325 HydrophobicContact CB-CB 4.18Å; A287-K325 HydrophobicContact CB-CD 4.05Å; A287-K325 HydrophobicContact CB-CG 4.38Å; A287-K325 WeakPolarHBondContact O-CG 3.21Å; L291-K325 HydrophobicContact CB-CG 4.04Å; G295-K325 VanDerWaalsContact CA-O 3.32Å; G295-K325 WeakPolarHBondContact CA-O 3.48Å; A296-K325 PolarHBondContact N-O 3.21Å; A320-K325 HydrophobicContact CB-CB 4.1Å; A320-K325 WeakPolarHBondContact O-CB 3.34Å; A320-K325 PolarHBondContact O-N 2.85Å; W323-K325 VanDerWaalsContact C-N 3.29Å; W323-K325 HydrophobicContact CB-CD 3.95Å; W323-K325 HydrophobicContact CB-CG 3.92Å; W323-K325 HydrophobicContact CG-CD 4.39Å
326I98.8Very high98.4Very high1 Ų159.6 Ų59.61%0.00530%0.303CS..BIsolated β-bridgetrans-123.8142.8169.5-63.5178.2000107.7M274 A299 P317 A320 V321 G324 A330 P332M274-I326 HydrophobicContact CE-CD1 4.01Å; M274-I326 HydrophobicContact CE-CG1 3.61Å; A299-I326 HydrophobicContact CB-CD1 3.73Å; A299-I326 HydrophobicContact CB-CG1 4.27Å; P317-I326 HydrophobicContact CB-CD1 3.95Å; A320-I326 HydrophobicContact CB-CD1 3.87Å; A320-I326 HydrophobicContact CB-CG1 3.99Å; A320-I326 PolarHBondContact O-N 3.08Å; V321-I326 HydrophobicContact CG2-CB 3.86Å; V321-I326 HydrophobicContact CG2-CG2 3.84Å; G324-I326 VanDerWaalsContact C-N 3.35Å; I326-A330 HydrophobicContact CG2-CB 3.66Å; I326-P332 HydrophobicContact CD1-CB 4.02Å; I326-P332 HydrophobicContact CG2-CB 4.29Å; I326-P332 HydrophobicContact CG2-CG 4.25Å
327R98.5Very high98.4Very high75 Ų7555 Ų5528%0.28329%0.29SS..  trans-70.1152.4179.2-60.6179.661.279.92.3112.2N294 G295 A296 D297 D329 A330N294-R327 WeakPolarHBondContact O-CG 3.37Å; G295-R327 WeakPolarHBondContact O-CG 3.27Å; A296-R327 WeakPolarHBondContact O-CG 3.06Å; A296-R327 PolarHBondContact O-N 3.42Å; A296-R327 VanDerWaalsContact O-N 3.09Å; D297-R327 VanDerWaalsContact OD1-CD 3.3Å; D297-R327 WeakPolarHBondContact OD1-CD 3.43Å; D297-R327 IonicContact OD1-NE 3.85Å; R327-D329 VanDerWaalsContact C-N 3.25Å; R327-D329 WeakPolarHBondContact CB-OD1 3.41Å; R327-D329 IonicContact CZ-OD1 2.63Å; R327-D329 IonicContact NE-OD1 3.26Å; R327-D329 PolarHBondContact NE-OD1 2.8Å; R327-D329 IonicContact NE-OD2 3.09Å; R327-D329 IonicContact NH2-OD1 3.24Å; R327-D329 IonicContact NH2-OD2 2.71Å; R327-D329 PolarHBondContact O-N 2.69Å; R327-A330 HydrophobicContact CB-CB 4.34Å; R327-A330 WeakPolarHBondContact O-CB 3.43Å; R327-A330 PolarHBondContact O-N 3Å
328T97.9Very high98.4Very high130 Ų13058.2 Ų58.280%0.79831%0.307SS*.THydrogen-bonded Turntrans-67.9-22.6177.851.30000113.8V321V321-T328 HydrophobicContact CG1-CG2 4.05Å
329D96.8Very high98.4Very high104 Ų10453.3 Ų53.356%0.55628%0.282SS*.THydrogen-bonded Turntrans-94.3-1177.160.7-14.5000113.5R327R327-D329 VanDerWaalsContact C-N 3.25Å; R327-D329 WeakPolarHBondContact CB-OD1 3.41Å; R327-D329 IonicContact CZ-OD1 2.63Å; R327-D329 IonicContact NE-OD1 3.26Å; R327-D329 PolarHBondContact NE-OD1 2.8Å; R327-D329 IonicContact NE-OD2 3.09Å; R327-D329 IonicContact NH2-OD1 3.24Å; R327-D329 IonicContact NH2-OD2 2.71Å; R327-D329 PolarHBondContact O-N 2.69Å
330A97.9Very high98.5Very high16 Ų1652 Ų5213%0.13228%0.281CS..  trans-73.6159.8176.800000111.7D297 I326 R327 P332D297-A330 WeakPolarHBondContact O-CB 3.35Å; I326-A330 HydrophobicContact CG2-CB 3.66Å; R327-A330 HydrophobicContact CB-CB 4.34Å; R327-A330 WeakPolarHBondContact O-CB 3.43Å; R327-A330 PolarHBondContact O-N 3Å; A330-P332 VanDerWaalsContact O-CD 3.28Å; A330-P332 WeakPolarHBondContact O-CD 3.1Å
331K98.1Very high98.5Very high147 Ų14757.4 Ų57.464%0.63931%0.308SS*.  trans-117.865.2174.8-64.8-177-179.7-178.30110
332P98.6Very high98.5Very high38 Ų3856.7 Ų56.725%0.24730%0.304CS..  trans-68.9143.3-170.832.7-38.7000111.6A299 P317 I326 A330A299-P332 HydrophobicContact CB-CB 3.99Å; A299-P332 WeakPolarHBondContact O-CA 3.11Å; P317-P332 HydrophobicContact CB-CB 3.52Å; P317-P332 HydrophobicContact CB-CG 3.69Å; P317-P332 HydrophobicContact CG-CB 4.25Å; I326-P332 HydrophobicContact CD1-CB 4.02Å; I326-P332 HydrophobicContact CG2-CB 4.29Å; I326-P332 HydrophobicContact CG2-CG 4.25Å; A330-P332 VanDerWaalsContact O-CD 3.28Å; A330-P332 WeakPolarHBondContact O-CD 3.1Å
333V98.8Very high98.5Very high15 Ų1552.1 Ų52.19%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-119.5136.9-176.9-173.90000110.1S54 L57 A58 E61 A299 V300 Y301S54-V333 VanDerWaalsContact O-CG1 3.26Å; S54-V333 WeakPolarHBondContact O-CG1 3.28Å; L57-V333 HydrophobicContact CB-CG1 4.01Å; L57-V333 HydrophobicContact CB-CG2 3.9Å; A58-V333 HydrophobicContact CB-CB 4.49Å; A58-V333 HydrophobicContact CB-CG1 4.01Å; E61-V333 HydrophobicContact CB-CG2 4.28Å; A299-V333 PolarHBondContact O-N 3.39Å; V300-V333 CarbonylContact C-O 3.58Å; V300-V333 WeakPolarHBondContact CA-O 3.47Å; V300-V333 HydrophobicContact CG2-CB 4.44Å; Y301-V333 PolarHBondContact N-O 2.95Å
334K98.9Very high98.6Very high14 Ų1447.1 Ų47.16%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-120.7125.1169.4-178.4172.5174.8176.80110Y301 N303 G305 G314 A315 P317 Y336Y301-K334 CarbonylContact O-C 3.56Å; Y301-K334 WeakPolarHBondContact O-CA 3.36Å; N303-K334 WeakPolarHBondContact OD1-CE 3.05Å; N303-K334 PolarHBondContact OD1-NZ 3.24Å; G305-K334 PolarHBondContact O-NZ 2.83Å; G314-K334 PolarHBondContact O-NZ 3.5Å; A315-K334 PolarHBondContact O-NZ 3.19Å; P317-K334 HydrophobicContact CG-CB 3.87Å; K334-Y336 HydrophobicContact CB-CE2 4.28Å; K334-Y336 HydrophobicContact CD-CD2 4.36Å; K334-Y336 HydrophobicContact CD-CE1 4.15Å; K334-Y336 HydrophobicContact CD-CE2 3.7Å; K334-Y336 VanDerWaalsContact CE-CE1 3.43Å; K334-Y336 VanDerWaalsContact CE-CZ 3.44Å; K334-Y336 HydrophobicContact CG-CD2 4.04Å; K334-Y336 HydrophobicContact CG-CE2 3.76Å
335V98.9Very high98.6Very high2 Ų248.5 Ų48.51%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-102.4115.4171.5-170.90000108.1L55 A58 Y301 V302 N303 A337L55-V335 HydrophobicContact CB-CG1 4.49Å; A58-V335 HydrophobicContact CB-CG2 3.78Å; Y301-V335 PolarHBondContact O-N 3.05Å; V302-V335 WeakPolarHBondContact CA-O 3.32Å; V302-V335 HydrophobicContact CG2-CB 4.27Å; V302-V335 HydrophobicContact CG2-CG2 4.45Å; N303-V335 PolarHBondContact N-O 3.05Å; V335-A337 HydrophobicContact CG1-CB 3.99Å; V335-A337 PolarHBondContact O-N 3.33Å; V335-A337 VanDerWaalsContact O-N 3.16Å
336Y98.9Very high98.6Very high64 Ų6448 Ų4825%0.25126%0.259SS..EExtended strand (participates in β ladder)trans-83.882.6176.3-68.2-102.9000109.5N303 R316 K334N303-Y336 WeakPolarHBondContact O-CA 3.07Å; R316-Y336 WeakPolarHBondContact CG-OH 3.2Å; K334-Y336 HydrophobicContact CB-CE2 4.28Å; K334-Y336 HydrophobicContact CD-CD2 4.36Å; K334-Y336 HydrophobicContact CD-CE1 4.15Å; K334-Y336 HydrophobicContact CD-CE2 3.7Å; K334-Y336 VanDerWaalsContact CE-CE1 3.43Å; K334-Y336 VanDerWaalsContact CE-CZ 3.44Å; K334-Y336 HydrophobicContact CG-CD2 4.04Å; K334-Y336 HydrophobicContact CG-CE2 3.76Å
337A98.9Very high98.6Very high21 Ų2148.4 Ų48.417%0.17426%0.262CS..SBendtrans-154.2162.2-177.300000111.7N303 V335 A339 V342N303-A337 PolarHBondContact O-N 3.06Å; V335-A337 HydrophobicContact CG1-CB 3.99Å; V335-A337 PolarHBondContact O-N 3.33Å; V335-A337 VanDerWaalsContact O-N 3.16Å; A337-A339 PolarHBondContact O-N 3.26Å; A337-V342 HydrophobicContact CB-CG1 3.81Å; A337-V342 HydrophobicContact CB-CG2 4.14Å
338D98.9Very high98.6Very high79 Ų7947 Ų4742%0.42227%0.267SS..  trans-68.5124.8164-169.6-44.6000109.3S340 L341D338-S340 VanDerWaalsContact CG-OG 3.24Å; D338-S340 PolarHBondContact O-N 3.36Å; D338-S340 VanDerWaalsContact OD1-CB 3.3Å; D338-S340 WeakPolarHBondContact OD1-CB 3.33Å; D338-S340 PolarHBondContact OD1-N 2.66Å; D338-S340 PolarHBondContact OD1-OG 3.22Å; D338-L341 HydrophobicContact CB-CD1 4.37Å; D338-L341 HydrophobicContact CB-CG 4.45Å; D338-L341 PolarHBondContact O-N 3.35Å; D338-L341 VanDerWaalsContact O-N 3.09Å
339A98.9Very high98.6Very high7 Ų742.1 Ų42.16%0.05823%0.234CC..Hα-helixtrans-63.3-24.8-177.400000112.9L103 L277 V302 A337 L341 V342 F343L103-A339 HydrophobicContact CD1-CB 4.07Å; L103-A339 HydrophobicContact CD2-CB 3.89Å; L277-A339 HydrophobicContact CB-CB 4.32Å; V302-A339 HydrophobicContact CG1-CB 3.91Å; A337-A339 PolarHBondContact O-N 3.26Å; A339-L341 PolarHBondContact O-N 3.24Å; A339-V342 PolarHBondContact O-N 3.22Å; A339-F343 HydrophobicContact CB-CB 4.47Å; A339-F343 WeakPolarHBondContact O-CB 3.44Å; A339-F343 PolarHBondContact O-N 3.16Å
340S98.8Very high98.7Very high53 Ų5337.1 Ų37.137%0.37121%0.208SC..Hα-helixtrans-62.6-26.7174.765.90000113.4D338D338-S340 VanDerWaalsContact CG-OG 3.24Å; D338-S340 PolarHBondContact O-N 3.36Å; D338-S340 VanDerWaalsContact OD1-CB 3.3Å; D338-S340 WeakPolarHBondContact OD1-CB 3.33Å; D338-S340 PolarHBondContact OD1-N 2.66Å; D338-S340 PolarHBondContact OD1-OG 3.22Å
341L98.9Very high98.7Very high122 Ų12236.4 Ų36.464%0.63920%0.202SC*.Hα-helixtrans-83.7-42.4176.9-64.1175.7000112.2D338 A339D338-L341 HydrophobicContact CB-CD1 4.37Å; D338-L341 HydrophobicContact CB-CG 4.45Å; D338-L341 PolarHBondContact O-N 3.35Å; D338-L341 VanDerWaalsContact O-N 3.09Å; A339-L341 PolarHBondContact O-N 3.24Å
342V98.9Very high98.7Very high16 Ų1631.3 Ų31.310%0.09719%0.187CC..Hα-helixtrans-103.6-29.3-165.8-59.20000114L55 V302 A337 A339 L345 I346L55-V342 HydrophobicContact CD1-CB 4.13Å; L55-V342 HydrophobicContact CD2-CB 4.37Å; L55-V342 HydrophobicContact CD2-CG1 4.23Å; V302-V342 HydrophobicContact CG1-CG2 3.38Å; A337-V342 HydrophobicContact CB-CG1 3.81Å; A337-V342 HydrophobicContact CB-CG2 4.14Å; A339-V342 PolarHBondContact O-N 3.22Å; V342-L345 WeakPolarHBondContact O-CB 3.35Å; V342-L345 PolarHBondContact O-N 2.98Å; V342-I346 WeakPolarHBondContact O-CG1 3.38Å; V342-I346 PolarHBondContact O-N 2.95Å
343F98.9Very high98.6Very high0 Ų033.2 Ų33.20%020%0.195CC..Hα-helixtrans-66.1-40.5-176-171.2-110.6000113.4L97 V108 I112 L115 I275 L277 A339 L345 I346 V347L97-F343 HydrophobicContact CD1-CZ 4.46Å; V108-F343 HydrophobicContact CG1-CD1 3.74Å; V108-F343 HydrophobicContact CG1-CE1 4.36Å; I112-F343 HydrophobicContact CG1-CE1 4.25Å; L115-F343 HydrophobicContact CD1-CE1 4.41Å; L115-F343 HydrophobicContact CD1-CZ 3.78Å; I275-F343 HydrophobicContact CG2-CE2 4.22Å; L277-F343 HydrophobicContact CD1-CB 4.39Å; L277-F343 HydrophobicContact CD1-CD1 3.8Å; L277-F343 HydrophobicContact CD1-CD2 3.59Å; L277-F343 HydrophobicContact CD1-CE1 3.83Å; L277-F343 HydrophobicContact CD1-CE2 3.65Å; L277-F343 HydrophobicContact CD1-CG 3.65Å; L277-F343 HydrophobicContact CD1-CZ 3.75Å; L277-F343 HydrophobicContact CD2-CD2 3.48Å; L277-F343 VanDerWaalsContact CD2-CD2 3.48Å; L277-F343 HydrophobicContact CD2-CE2 3.84Å; L277-F343 HydrophobicContact CD2-CG 4.14Å; L277-F343 HydrophobicContact CG-CD2 4.16Å; L277-F343 HydrophobicContact CG-CE2 4.24Å; A339-F343 HydrophobicContact CB-CB 4.47Å; A339-F343 WeakPolarHBondContact O-CB 3.44Å; A339-F343 PolarHBondContact O-N 3.16Å; F343-L345 VanDerWaalsContact C-N 3.25Å; F343-L345 PolarHBondContact O-N 3.13Å; F343-I346 WeakPolarHBondContact O-CB 3.39Å; F343-I346 PolarHBondContact O-N 3.32Å; F343-I346 VanDerWaalsContact O-N 3.15Å; F343-V347 HydrophobicContact CD1-CG2 4.05Å; F343-V347 HydrophobicContact CE1-CG2 3.72Å; F343-V347 HydrophobicContact CE2-CG2 4.22Å; F343-V347 HydrophobicContact CG-CG2 4.49Å; F343-V347 HydrophobicContact CZ-CG2 3.82Å; F343-V347 WeakPolarHBondContact O-CG2 3.35Å; F343-V347 PolarHBondContact O-N 3.19Å
344P98.8Very high98.5Very high51 Ų5134 Ų3433%0.33120%0.198SC..Hα-helixtrans-58.8-36.6172.6-2636.3000113.1V347 A348P344-V347 PolarHBondContact O-N 3.31Å; P344-A348 WeakPolarHBondContact O-CB 3.27Å; P344-A348 PolarHBondContact O-N 3.17Å
345L98.8Very high98.3Very high51 Ų5134.2 Ų34.227%0.26720%0.202SC..Hα-helixtrans-69.8-39176-57.8176.2000111.8L42 V342 F343 A348 E349L42-L345 HydrophobicContact CD1-CB 4.49Å; L42-L345 HydrophobicContact CD1-CD2 4.41Å; L42-L345 HydrophobicContact CD2-CD1 4.31Å; V342-L345 WeakPolarHBondContact O-CB 3.35Å; V342-L345 PolarHBondContact O-N 2.98Å; F343-L345 VanDerWaalsContact C-N 3.25Å; F343-L345 PolarHBondContact O-N 3.13Å; L345-A348 PolarHBondContact O-N 2.95Å; L345-E349 PolarHBondContact O-N 3.44Å; L345-E349 VanDerWaalsContact O-N 3.13Å
346I98.8Very high98Very high1 Ų140.3 Ų40.31%0.00523%0.234CC..Hα-helixtrans-58.6-51.4172-69.8169.9000109.6L55 I59 I62 V302 V342 F343 A348 E349 T350L55-I346 HydrophobicContact CD1-CD1 3.76Å; L55-I346 HydrophobicContact CD1-CG1 3.47Å; L55-I346 VanDerWaalsContact CD1-CG1 3.47Å; I59-I346 HydrophobicContact CG1-CG1 4.34Å; I62-I346 HydrophobicContact CD1-CG2 3.39Å; V302-I346 HydrophobicContact CG2-CD1 3.92Å; V342-I346 WeakPolarHBondContact O-CG1 3.38Å; V342-I346 PolarHBondContact O-N 2.95Å; F343-I346 WeakPolarHBondContact O-CB 3.39Å; F343-I346 PolarHBondContact O-N 3.32Å; F343-I346 VanDerWaalsContact O-N 3.15Å; I346-A348 VanDerWaalsContact C-N 3.29Å; I346-A348 PolarHBondContact O-N 3.4Å; I346-E349 PolarHBondContact O-N 3.04Å; I346-T350 HydrophobicContact CG2-CG2 4.34Å; I346-T350 WeakPolarHBondContact O-CB 3.36Å; I346-T350 WeakPolarHBondContact O-CG2 3.25Å; I346-T350 PolarHBondContact O-N 3.42Å; I346-T350 PolarHBondContact O-OG1 2.88Å
347V98.8Very high97.7Very high10 Ų1043.6 Ų43.66%0.06125%0.25CS..Hα-helixtrans-58.2-42.9179.8172.50000111Y114 L115 F343 P344 E349 T350 F351 A352Y114-V347 HydrophobicContact CD1-CG1 4.15Å; Y114-V347 HydrophobicContact CE1-CG1 4.37Å; L115-V347 HydrophobicContact CD2-CG1 4.48Å; F343-V347 HydrophobicContact CD1-CG2 4.05Å; F343-V347 HydrophobicContact CE1-CG2 3.72Å; F343-V347 HydrophobicContact CE2-CG2 4.22Å; F343-V347 HydrophobicContact CG-CG2 4.49Å; F343-V347 HydrophobicContact CZ-CG2 3.82Å; F343-V347 WeakPolarHBondContact O-CG2 3.35Å; F343-V347 PolarHBondContact O-N 3.19Å; P344-V347 PolarHBondContact O-N 3.31Å; V347-E349 PolarHBondContact O-N 3.01Å; V347-T350 PolarHBondContact O-N 3.12Å; V347-F351 HydrophobicContact CG1-CB 4.47Å; V347-F351 PolarHBondContact O-N 3.38Å; V347-A352 HydrophobicContact CG1-CB 4.38Å; V347-A352 WeakPolarHBondContact O-CB 3.5Å; V347-A352 PolarHBondContact O-N 3.2Å
348A98.6Very high97.2Very high47 Ų4743.7 Ų43.739%0.38825%0.248SC..Hα-helixtrans-58.7-44.5177.800000113.2P344 L345 I346 L353P344-A348 WeakPolarHBondContact O-CB 3.27Å; P344-A348 PolarHBondContact O-N 3.17Å; L345-A348 PolarHBondContact O-N 2.95Å; I346-A348 VanDerWaalsContact C-N 3.29Å; I346-A348 PolarHBondContact O-N 3.4Å; A348-L353 PolarHBondContact O-N 2.61Å
349E98.4Very high96.7Very high26 Ų2640.7 Ų40.712%0.12123%0.232CC..Hα-helixtrans-91.64.4-177.5-67-62.1135.900114.2L42 I59 N63 L345 I346 V347L42-E349 HydrophobicContact CB-CG 4.24Å; L42-E349 HydrophobicContact CD1-CG 3.58Å; I59-E349 HydrophobicContact CD1-CB 4Å; I59-E349 HydrophobicContact CD1-CG 4.38Å; I59-E349 HydrophobicContact CG1-CB 4.35Å; I59-E349 HydrophobicContact CG2-CB 3.89Å; N63-E349 PolarHBondContact ND2-O 3.11Å; L345-E349 PolarHBondContact O-N 3.44Å; L345-E349 VanDerWaalsContact O-N 3.13Å; I346-E349 PolarHBondContact O-N 3.04Å; V347-E349 PolarHBondContact O-N 3.01Å
350T98.8Very high95.7Very high0 Ų043.9 Ų43.90%026%0.258CS..THydrogen-bonded Turntrans-129.2-92.818062.30000111.9I59 I62 N63 I346 V347 A352 L353 H354I59-T350 HydrophobicContact CB-CG2 4.24Å; I59-T350 HydrophobicContact CG1-CG2 4.4Å; I59-T350 HydrophobicContact CG2-CG2 3.85Å; I62-T350 HydrophobicContact CB-CG2 3.97Å; I62-T350 HydrophobicContact CG2-CG2 3.78Å; N63-T350 VanDerWaalsContact OD1-CA 3.24Å; N63-T350 WeakPolarHBondContact OD1-CA 3.45Å; N63-T350 WeakPolarHBondContact OD1-CB 3.29Å; N63-T350 WeakPolarHBondContact OD1-CG2 3.39Å; I346-T350 HydrophobicContact CG2-CG2 4.34Å; I346-T350 WeakPolarHBondContact O-CB 3.36Å; I346-T350 WeakPolarHBondContact O-CG2 3.25Å; I346-T350 PolarHBondContact O-N 3.42Å; I346-T350 PolarHBondContact O-OG1 2.88Å; V347-T350 PolarHBondContact O-N 3.12Å; T350-A352 PolarHBondContact O-N 3.45Å; T350-L353 WeakPolarHBondContact O-CB 3.39Å; T350-L353 PolarHBondContact O-N 3.06Å; T350-H354 PolarHBondContact O-CD2 3.49Å; T350-H354 PolarHBondContact O-N 2.71Å
351F98.4Very high93.9Very high0 Ų044.5 Ų44.50%027%0.273CS..THydrogen-bonded Turntrans-58.2-48.6-174.5-69.4-72.5000113.2I62 I66 I95 L115 M120 I275 V347 H354 A355 L358I62-F351 HydrophobicContact CG2-CD2 4.31Å; I62-F351 HydrophobicContact CG2-CE2 3.7Å; I62-F351 HydrophobicContact CG2-CZ 3.93Å; I66-F351 HydrophobicContact CD1-CD1 3.74Å; I66-F351 HydrophobicContact CD1-CE1 3.99Å; I66-F351 HydrophobicContact CD1-CG 4.11Å; I66-F351 HydrophobicContact CG1-CD1 4.14Å; I66-F351 HydrophobicContact CG1-CE1 3.99Å; I95-F351 HydrophobicContact CD1-CE1 4.45Å; L115-F351 HydrophobicContact CD1-CD2 4.08Å; L115-F351 HydrophobicContact CD1-CE2 4.02Å; L115-F351 HydrophobicContact CD1-CZ 4.49Å; L115-F351 HydrophobicContact CD2-CB 3.45Å; L115-F351 VanDerWaalsContact CD2-CB 3.45Å; L115-F351 HydrophobicContact CD2-CD1 3.86Å; L115-F351 HydrophobicContact CD2-CD2 3.55Å; L115-F351 HydrophobicContact CD2-CE1 4.47Å; L115-F351 HydrophobicContact CD2-CE2 4.21Å; L115-F351 HydrophobicContact CD2-CG 3.34Å; L115-F351 HydrophobicContact CG-CD2 4.5Å; M120-F351 HydrophobicContact CB-CD1 3.72Å; M120-F351 HydrophobicContact CB-CE1 4.03Å; M120-F351 HydrophobicContact CG-CD1 4.25Å; M120-F351 HydrophobicContact SD-CB 3.75Å; M120-F351 HydrophobicContact SD-CD1 4.09Å; M120-F351 HydrophobicContact SD-CG 4.29Å; I275-F351 HydrophobicContact CD1-CE2 3.77Å; I275-F351 HydrophobicContact CD1-CZ 3.58Å; V347-F351 HydrophobicContact CG1-CB 4.47Å; V347-F351 PolarHBondContact O-N 3.38Å; F351-H354 CarbonylContact O-C 3.55Å; F351-H354 PolarHBondContact O-N 3.32Å; F351-A355 PolarHBondContact O-N 2.98Å; F351-L358 HydrophobicContact CD1-CD1 4.24Å
352A97.9Very high91.8Very high41 Ų4142.1 Ų42.134%0.33926%0.259SS..THydrogen-bonded Turntrans-67.5-38.7179.600000111.6Y114 V347 T350 H354 A355Y114-A352 HydrophobicContact CE1-CB 4.26Å; V347-A352 HydrophobicContact CG1-CB 4.38Å; V347-A352 WeakPolarHBondContact O-CB 3.5Å; V347-A352 PolarHBondContact O-N 3.2Å; T350-A352 PolarHBondContact O-N 3.45Å; A352-H354 PolarHBondContact O-N 3.27Å; A352-A355 VanDerWaalsContact O-CB 3.29Å; A352-A355 WeakPolarHBondContact O-CB 3.29Å; A352-A355 PolarHBondContact O-N 3.41Å
353L96.6Very high89.2Confident78 Ų7849.6 Ų49.641%0.40829%0.29SS..THydrogen-bonded Turntrans-61.1-30.2174.4-178.164.1000112.5A348 T350A348-L353 PolarHBondContact O-N 2.61Å; T350-L353 WeakPolarHBondContact O-CB 3.39Å; T350-L353 PolarHBondContact O-N 3.06Å
354H95.7Very high86.1Confident32 Ų3253.5 Ų53.515%0.14832%0.323CS..THydrogen-bonded Turntrans-103.612.6179.9-65.5-55.3000113.9N63 I66 T350 F351 A352 D356 K357 L358N63-H354 PolarHBondContact OD1-CD2 3.24Å; N63-H354 VanDerWaalsContact OD1-CD2 3.31Å; N63-H354 PolarHBondContact OD1-NE2 2.85Å; I66-H354 HydrophobicContact CG2-CB 4.01Å; T350-H354 PolarHBondContact O-CD2 3.49Å; T350-H354 PolarHBondContact O-N 2.71Å; F351-H354 CarbonylContact O-C 3.55Å; F351-H354 PolarHBondContact O-N 3.32Å; A352-H354 PolarHBondContact O-N 3.27Å; H354-D356 VanDerWaalsContact C-N 3.35Å; H354-D356 PolarHBondContact O-N 3.47Å; H354-K357 PolarHBondContact O-N 3.16Å; H354-L358 HydrophobicContact CB-CD1 4.02Å; H354-L358 HydrophobicContact CB-CG 4.46Å; H354-L358 PolarHBondContact O-N 3.09Å
355A95.2Very high83Confident18 Ų1862 Ų6215%0.14937%0.365CS..Hα-helixtrans-56.6-44.2-173.500000113.1Y114 M120 F351 A352 K357 L358 T359Y114-A355 VanDerWaalsContact OH-CB 3.28Å; Y114-A355 WeakPolarHBondContact OH-CB 3.49Å; M120-A355 HydrophobicContact CE-CB 4.02Å; F351-A355 PolarHBondContact O-N 2.98Å; A352-A355 VanDerWaalsContact O-CB 3.29Å; A352-A355 WeakPolarHBondContact O-CB 3.29Å; A352-A355 PolarHBondContact O-N 3.41Å; A355-K357 VanDerWaalsContact C-N 3.26Å; A355-K357 PolarHBondContact O-N 2.88Å; A355-L358 PolarHBondContact O-N 2.96Å; A355-T359 WeakPolarHBondContact O-CB 3.3Å; A355-T359 WeakPolarHBondContact O-CG2 3.39Å; A355-T359 PolarHBondContact O-N 3.43Å; A355-T359 PolarHBondContact O-OG1 3.1Å
356D92.8Very high82.2Confident129 Ų12962.6 Ų62.669%0.6937%0.37SS*.Hα-helixtrans-59.1-37.8178.9-69.6-32.1000112.4H354 A360H354-D356 VanDerWaalsContact C-N 3.35Å; H354-D356 PolarHBondContact O-N 3.47Å; D356-A360 WeakPolarHBondContact O-CB 3.48Å; D356-A360 PolarHBondContact O-N 3.3Å
357K91.9Very high81.3Confident134 Ų13465.8 Ų65.858%0.58339%0.389SS*.Hα-helixtrans-76.2-41.1179.4-62.2-177.1-178.4-178.60111.6L70 H354 A355 T359L70-K357 HydrophobicContact CD1-CB 4.01Å; L70-K357 HydrophobicContact CD1-CD 4.29Å; L70-K357 HydrophobicContact CD2-CB 4.42Å; H354-K357 PolarHBondContact O-N 3.16Å; A355-K357 VanDerWaalsContact C-N 3.26Å; A355-K357 PolarHBondContact O-N 2.88Å; K357-T359 VanDerWaalsContact C-N 3.32Å
358L89.1Confident80.4Confident23 Ų2368.9 Ų68.912%0.1241%0.407CS..Hα-helixtrans-70.8-27.6-178.9-73.5165.5000112.6I66 L70 M120 F351 H354 A355I66-L358 HydrophobicContact CG2-CD1 4.11Å; I66-L358 HydrophobicContact CG2-CD2 4.18Å; I66-L358 HydrophobicContact CG2-CG 4.31Å; L70-L358 HydrophobicContact CD2-CD2 4.03Å; L70-L358 HydrophobicContact CG-CD2 4.38Å; M120-L358 HydrophobicContact CE-CB 4.22Å; M120-L358 HydrophobicContact CE-CD1 4.03Å; M120-L358 HydrophobicContact CG-CB 4.47Å; M120-L358 HydrophobicContact CG-CD1 4.09Å; M120-L358 HydrophobicContact SD-CD1 4.38Å; F351-L358 HydrophobicContact CD1-CD1 4.24Å; H354-L358 HydrophobicContact CB-CD1 4.02Å; H354-L358 HydrophobicContact CB-CG 4.46Å; H354-L358 PolarHBondContact O-N 3.09Å; A355-L358 PolarHBondContact O-N 2.96Å
359T87.9Confident79.3Confident16 Ų1670.2 Ų70.210%0.09841%0.409CS..Hα-helixtrans-103.5-3.2-177.862.20000113.7H118 A355 K357 G361 Q362H118-T359 HydrophobicContact CB-CG2 3.9Å; A355-T359 WeakPolarHBondContact O-CB 3.3Å; A355-T359 WeakPolarHBondContact O-CG2 3.39Å; A355-T359 PolarHBondContact O-N 3.43Å; A355-T359 PolarHBondContact O-OG1 3.1Å; K357-T359 VanDerWaalsContact C-N 3.32Å; T359-G361 PolarHBondContact O-N 3.26Å; T359-Q362 PolarHBondContact O-N 3.25Å
360A77.6Confident78.1Confident73 Ų7372.9 Ų72.960%0.60343%0.427SS*.THydrogen-bonded Turntrans-55-30.1-176.600000114.1D356D356-A360 WeakPolarHBondContact O-CB 3.48Å; D356-A360 PolarHBondContact O-N 3.3Å
361G60.6Low76.7Confident67 Ų6777.8 Ų77.869%0.69146%0.455SS*.THydrogen-bonded Turntrans-90.9-7.6177.500000115.6T359T359-G361 PolarHBondContact O-N 3.26Å
362Q55.9Low75.2Confident72 Ų7283.4 Ų83.434%0.33649%0.487SS..THydrogen-bonded Turntrans-92.9-15.3-177.8-70.5170.8-3.600113.2H118 T359 A364H118-Q362 PolarHBondContact O-NE2 3.19Å; T359-Q362 PolarHBondContact O-N 3.25Å; Q362-A364 PolarHBondContact O-N 3.19Å; Q362-A364 VanDerWaalsContact O-N 3.15Å
363K42.8Very low73.4Confident172 Ų17286.6 Ų86.675%0.74850%0.499SS*.THydrogen-bonded Turntrans-75.99.8179.8-72.8-177.2177173.40114.1
364A35.7Very low71.5Confident83 Ų8387.3 Ų87.369%0.68651%0.506SS*.THydrogen-bonded Turntrans-103.5-5.9-171.700000115.2Q362Q362-A364 PolarHBondContact O-N 3.19Å; Q362-A364 VanDerWaalsContact O-N 3.15Å
365D32.6Very low69.3Low229 Ų22992.4 Ų92.4100%1.22554%0.539SS*.  trans-124.90-177.1-68.7-33.7000113.5

Retrieved 365 of 365 residues in 2499.2 ms (Link to these results)

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