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Serine/threonine-protein kinase cst-1

Serine/threonine-protein kinase which extends lifespan and delays tissue aging, probably by activating daf-16.

AlphaFold DB , UniProt , Accession A0A5K4FAW4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 621 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
1M71.7Confident80.9Confident83 Ų8382.7 Ų82.741%0.40942%0.417SS..  0142.50-172.7168.5159.300109.2L4 Y36 V43 Y76M1-L4 HydrophobicContact CE-CD2 3.94Å; M1-Y36 HydrophobicContact CE-CD1 3.15Å; M1-Y36 HydrophobicContact CE-CD2 3.85Å; M1-Y36 HydrophobicContact CE-CE1 3.41Å; M1-Y36 VanDerWaalsContact CE-CE1 3.41Å; M1-Y36 HydrophobicContact CE-CE2 4.05Å; M1-Y36 HydrophobicContact CE-CG 3.38Å; M1-Y36 HydrophobicContact SD-CD1 3.72Å; M1-Y36 HydrophobicContact SD-CE1 4.31Å; M1-Y36 HydrophobicContact SD-CG 4.16Å; M1-V43 HydrophobicContact CE-CG1 4.2Å; M1-V43 HydrophobicContact SD-CG1 3.54Å; M1-V43 VanDerWaalsContact SD-CG1 3.54Å; M1-Y76 HydrophobicContact CB-CE1 4.04Å; M1-Y76 HydrophobicContact CB-CE2 4.14Å; M1-Y76 HydrophobicContact CG-CE2 4.49Å; M1-Y76 WeakPolarHBondContact O-CE1 3.34Å; M1-Y76 HydrophobicContact SD-CD2 4.22Å; M1-Y76 HydrophobicContact SD-CE2 4.22Å
2Q76Confident81.4Confident173 Ų17380.9 Ų80.981%0.80842%0.415SS*.PPolyproline II helixtrans-80.2172.7173-67.9-177.8-2.400110.1Y76Q2-Y76 WeakPolarHBondContact O-CD1 3.46Å
3R84.5Confident82.1Confident147 Ų14774.8 Ų74.856%0.55538%0.384SS*.PPolyproline II helixtrans-62.6151.3170.2-67.7-173.2-174.3151.67.5109.7Q65 Y76R3-Q65 VanDerWaalsContact CZ-O 3.31Å; R3-Q65 PolarHBondContact NH2-O 3.37Å; R3-Y76 WeakPolarHBondContact CA-O 3.12Å
4L83.5Confident82.7Confident9 Ų974.9 Ų74.95%0.04739%0.394CS..PPolyproline II helixtrans-59.2138.9170-64.7176000108.6M1 L9 V16 Y36 Y76 L79 C88M1-L4 HydrophobicContact CE-CD2 3.94Å; L4-L9 HydrophobicContact CB-CD2 3.94Å; L4-L9 HydrophobicContact CB-CG 4.2Å; L4-L9 HydrophobicContact CD1-CD2 4.12Å; L4-V16 HydrophobicContact CD2-CG1 4.17Å; L4-Y36 HydrophobicContact CD2-CD2 4.12Å; L4-Y36 HydrophobicContact CD2-CE2 3.56Å; L4-Y76 PolarHBondContact N-O 3.23Å; L4-L79 HydrophobicContact CD1-CD1 4.05Å; L4-L79 HydrophobicContact CD1-CG 4.21Å; L4-C88 HydrophobicContact CD1-CB 4.14Å
5D83.2Confident83.3Confident77 Ų7777.7 Ų77.741%0.41241%0.405SS..PPolyproline II helixtrans-79.3161.4178.971.443.6000111.6S7 E8 L9D5-S7 PolarHBondContact O-N 3.44Å; D5-S7 VanDerWaalsContact O-N 3.16Å; D5-S7 VanDerWaalsContact OD1-CA 3.3Å; D5-S7 WeakPolarHBondContact OD1-CA 3.35Å; D5-S7 VanDerWaalsContact OD1-CB 3.24Å; D5-S7 WeakPolarHBondContact OD1-CB 3.48Å; D5-S7 PolarHBondContact OD1-N 3.37Å; D5-S7 PolarHBondContact OD1-OG 3.29Å; D5-E8 PolarHBondContact N-OE2 3.43Å; D5-E8 PolarHBondContact O-N 3.35Å; D5-E8 VanDerWaalsContact O-N 3.08Å; D5-E8 WeakPolarHBondContact OD1-CG 3.48Å; D5-E8 PolarHBondContact OD1-N 3.42Å; D5-L9 WeakPolarHBondContact O-CG 3.49Å; D5-L9 PolarHBondContact O-N 3.01Å
6D80.8Confident84Confident144 Ų14473.1 Ų73.177%0.7738%0.381SS*.Hα-helixtrans-59.4-28.4-178.8-66.2-28.6000112.5S10D6-S10 PolarHBondContact O-N 2.68Å
7S83.3Confident84.6Confident62 Ų6269 Ų6943%0.43436%0.36SS..Hα-helixtrans-71.4-34.8178.486.30000111.9D5 S10D5-S7 PolarHBondContact O-N 3.44Å; D5-S7 VanDerWaalsContact O-N 3.16Å; D5-S7 VanDerWaalsContact OD1-CA 3.3Å; D5-S7 WeakPolarHBondContact OD1-CA 3.35Å; D5-S7 VanDerWaalsContact OD1-CB 3.24Å; D5-S7 WeakPolarHBondContact OD1-CB 3.48Å; D5-S7 PolarHBondContact OD1-N 3.37Å; D5-S7 PolarHBondContact OD1-OG 3.29Å; S7-S10 PolarHBondContact O-OG 3.44Å
8E83.3Confident85.2Confident16 Ų1670.7 Ų70.78%0.07537%0.365CS..Hα-helixtrans-77.5-38.1176.2-68.3-177.1126.500112.2D5 S10 K11 V16 Y36 L79D5-E8 PolarHBondContact N-OE2 3.43Å; D5-E8 PolarHBondContact O-N 3.35Å; D5-E8 VanDerWaalsContact O-N 3.08Å; D5-E8 WeakPolarHBondContact OD1-CG 3.48Å; D5-E8 PolarHBondContact OD1-N 3.42Å; E8-S10 PolarHBondContact O-N 2.67Å; E8-S10 VanDerWaalsContact O-N 3.12Å; E8-K11 PolarHBondContact O-N 3.42Å; E8-V16 HydrophobicContact CB-CG1 4.37Å; E8-V16 HydrophobicContact CB-CG2 4.29Å; E8-Y36 WeakPolarHBondContact OE1-CE2 3.44Å; E8-Y36 PolarHBondContact OE1-OH 3Å; E8-Y36 PolarHBondContact OE2-OH 3.29Å; E8-L79 WeakPolarHBondContact O-CD2 2.92Å
9L80Confident85.8Confident49 Ų4970.1 Ų70.126%0.25736%0.362SS..Hα-helixtrans-59.2-23.2175.3-68.2175.2000112.2L4 D5 S78 L79 T375L4-L9 HydrophobicContact CB-CD2 3.94Å; L4-L9 HydrophobicContact CB-CG 4.2Å; L4-L9 HydrophobicContact CD1-CD2 4.12Å; D5-L9 WeakPolarHBondContact O-CG 3.49Å; D5-L9 PolarHBondContact O-N 3.01Å; L9-S78 WeakPolarHBondContact CD2-O 3.23Å; L9-L79 HydrophobicContact CD2-CD2 4.41Å; L9-T375 WeakPolarHBondContact O-CG2 3.5Å
10S78Confident86.3Confident64 Ų6468.5 Ų68.545%0.44835%0.354SS..THydrogen-bonded Turntrans-83-10.5176.977.60000115.7D6 S7 E8 T375D6-S10 PolarHBondContact O-N 2.68Å; S7-S10 PolarHBondContact O-OG 3.44Å; E8-S10 PolarHBondContact O-N 2.67Å; E8-S10 VanDerWaalsContact O-N 3.12Å; S10-T375 PolarHBondContact O-OG1 2.83Å; S10-T375 VanDerWaalsContact O-OG1 3.13Å
11K85.3Confident86.6Confident86 Ų8665.9 Ų65.937%0.37434%0.342SS..SBendtrans-94.3154.6-176.3-65.6174.1-171.3168.30111.6E8 E15 V16E8-K11 PolarHBondContact O-N 3.42Å; K11-E15 HydrophobicContact CB-CB 4.35Å; K11-V16 HydrophobicContact CB-CG2 3.87Å; K11-V16 HydrophobicContact CD-CG2 4.44Å
12P87.4Confident87.6Confident61 Ų6165.5 Ų65.540%0.39634%0.338SS..  trans-54.7142.1168.4-23.433.1000111.4S14 E15P12-S14 PolarHBondContact O-N 3.47Å; P12-S14 VanDerWaalsContact O-N 3.07Å; P12-E15 PolarHBondContact O-N 3.02Å
13P90.3Very high88.2Confident2 Ų260.8 Ų60.81%0.01332%0.317CS..Hα-helixtrans-54.5-34.6-177.9-22.626.5000114E15 V16 L17 L79 F80 D81 W86P13-E15 PolarHBondContact O-N 3.45Å; P13-V16 PolarHBondContact O-N 3.11Å; P13-L17 WeakPolarHBondContact O-CB 3.48Å; P13-L17 PolarHBondContact O-N 3.48Å; P13-L79 HydrophobicContact CB-CB 4.11Å; P13-L79 HydrophobicContact CB-CD1 4.4Å; P13-L79 HydrophobicContact CG-CB 3.81Å; P13-F80 WeakPolarHBondContact CD-O 3.37Å; P13-D81 HydrophobicContact CG-CB 4.05Å; P13-W86 HydrophobicContact CB-CD2 3.54Å; P13-W86 HydrophobicContact CB-CE3 3.52Å; P13-W86 HydrophobicContact CB-CG 4.06Å; P13-W86 HydrophobicContact CB-CH2 4.03Å; P13-W86 HydrophobicContact CB-CZ2 4Å; P13-W86 HydrophobicContact CB-CZ3 3.79Å; P13-W86 HydrophobicContact CG-CD2 3.99Å; P13-W86 HydrophobicContact CG-CE3 4.45Å; P13-W86 HydrophobicContact CG-CG 4.05Å
14S90.5Very high88.2Confident75 Ų7555 Ų5552%0.52430%0.303SS..Hα-helixtrans-65-21.8178.5540000114.1P12 K37P12-S14 PolarHBondContact O-N 3.47Å; P12-S14 VanDerWaalsContact O-N 3.07Å; S14-K37 PolarHBondContact O-NZ 2.8Å
15E92.3Very high88Confident117 Ų11762.4 Ų62.455%0.54734%0.335SS..Hα-helixtrans-82.8-27.4175.5-68.7-174.4-16100112.3K11 P12 P13 K37K11-E15 HydrophobicContact CB-CB 4.35Å; P12-E15 PolarHBondContact O-N 3.02Å; P13-E15 PolarHBondContact O-N 3.45Å; E15-K37 VanDerWaalsContact O-CD 3.28Å; E15-K37 WeakPolarHBondContact O-CD 3.32Å
16V93.4Very high87.3Confident5 Ų561 Ų613%0.0334%0.339CS..Hα-helixtrans-94-35.8-176.9-1750000111.6L4 E8 K11 P13 Y36 K37 L79L4-V16 HydrophobicContact CD2-CG1 4.17Å; E8-V16 HydrophobicContact CB-CG1 4.37Å; E8-V16 HydrophobicContact CB-CG2 4.29Å; K11-V16 HydrophobicContact CB-CG2 3.87Å; K11-V16 HydrophobicContact CD-CG2 4.44Å; P13-V16 PolarHBondContact O-N 3.11Å; V16-Y36 HydrophobicContact CG1-CD2 3.95Å; V16-Y36 HydrophobicContact CG1-CE2 3.75Å; V16-K37 WeakPolarHBondContact O-CB 3.44Å; V16-K37 PolarHBondContact O-N 3.25Å; V16-L79 HydrophobicContact CB-CD1 4.05Å; V16-L79 HydrophobicContact CG1-CD1 4.12Å; V16-L79 HydrophobicContact CG2-CD1 4.44Å; V16-L79 HydrophobicContact CG2-CD2 4.29Å
17L94.7Very high86.4Confident3 Ų358.9 Ų58.92%0.01634%0.335CS..EExtended strand (participates in β ladder)trans-127.3142.7-170-60.4171.3000111.4P13 R35 Y36 V43 V45 L79 W86P13-L17 WeakPolarHBondContact O-CB 3.48Å; P13-L17 PolarHBondContact O-N 3.48Å; L17-R35 WeakPolarHBondContact CA-O 3.37Å; L17-Y36 HydrophobicContact CD2-CD2 4.15Å; L17-V43 HydrophobicContact CD2-CG2 3.89Å; L17-V45 HydrophobicContact CD1-CG2 3.81Å; L17-L79 HydrophobicContact CD1-CD1 3.65Å; L17-L79 HydrophobicContact CG-CD1 4.16Å; L17-W86 HydrophobicContact CD1-CE3 4.16Å
18E95.8Very high85.7Confident99 Ų9957.8 Ų57.846%0.46332%0.322SS..EExtended strand (participates in β ladder)trans-111.3114.8169.2-179.5-172.1-168.300108.8I20 A34 R35 K37E18-I20 PolarHBondContact O-N 3.35Å; E18-A34 CarbonylContact O-C 3.53Å; E18-A34 WeakPolarHBondContact O-CA 3.37Å; E18-A34 WeakPolarHBondContact O-CB 3.25Å; E18-R35 HydrophobicContact CB-CB 4.27Å; E18-R35 PolarHBondContact N-O 2.83Å; E18-R35 PolarHBondContact O-N 3.32Å; E18-K37 HydrophobicContact CB-CG 4.4Å
19I95.8Very high85.4Confident59 Ų5957.6 Ų57.630%0.30332%0.324SS..EExtended strand (participates in β ladder)trans-70.9124.7176.5-61.2-57.3000109.3Y32 A34 V45 W86I19-Y32 HydrophobicContact CD1-CG 4.45Å; I19-Y32 HydrophobicContact CG2-CD1 3.75Å; I19-Y32 HydrophobicContact CG2-CG 4.16Å; I19-A34 HydrophobicContact CD1-CB 3.96Å; I19-V45 HydrophobicContact CD1-CB 4.49Å; I19-W86 HydrophobicContact CD1-CE3 4.24Å; I19-W86 HydrophobicContact CD1-CH2 4.01Å; I19-W86 HydrophobicContact CD1-CZ3 3.47Å; I19-W86 VanDerWaalsContact CD1-CZ3 3.47Å; I19-W86 HydrophobicContact CG1-CH2 3.82Å; I19-W86 HydrophobicContact CG1-CZ3 3.78Å
20I95.8Very high85.8Confident39 Ų3956 Ų5620%0.232%0.317CS..EExtended strand (participates in β ladder)trans-92.7-57.2179.5-62167.2000110.4E18 K33 R35 I42 V444E18-I20 PolarHBondContact O-N 3.35Å; I20-K33 HydrophobicContact CB-CB 4.46Å; I20-K33 WeakPolarHBondContact CB-O 3.29Å; I20-K33 HydrophobicContact CD1-CD 4.34Å; I20-K33 HydrophobicContact CD1-CG 4.19Å; I20-K33 PolarHBondContact N-O 3.26Å; I20-R35 HydrophobicContact CD1-CB 4.11Å; I20-R35 HydrophobicContact CG1-CB 4.47Å; I20-I42 HydrophobicContact CD1-CD1 3.77Å; I20-V444 HydrophobicContact CG2-CG2 4.13Å
21C92.7Very high86.4Confident14 Ų1454.7 Ų54.710%0.09531%0.306CS..EExtended strand (participates in β ladder)trans-158.2163-178.664.20000111.4Y32 K33C21-Y32 CarbonylContact O-C 3.59Å; C21-Y32 VanDerWaalsContact O-CA 3.31Å; C21-Y32 WeakPolarHBondContact O-CA 3.43Å; C21-K33 PolarHBondContact N-O 3.08Å; C21-K33 PolarHBondContact O-N 3.37Å
22K92.4Very high86.8Confident75 Ų7553 Ų5333%0.32630%0.298SS..EExtended strand (participates in β ladder)trans-82.9127.7175-171.7173.5179.3171.60109.1G24 S30 Y32 G440K22-G24 WeakPolarHBondContact CE-O 3.35Å; K22-S30 WeakPolarHBondContact CE-OG 3.3Å; K22-S30 PolarHBondContact NZ-OG 2.87Å; K22-Y32 HydrophobicContact CB-CD1 3.88Å; K22-Y32 HydrophobicContact CB-CE1 3.79Å; K22-Y32 HydrophobicContact CD-CE1 4.18Å; K22-Y32 HydrophobicContact CG-CD1 4.17Å; K22-Y32 HydrophobicContact CG-CE1 3.86Å; K22-G440 PolarHBondContact N-O 3.3Å
23L88.7Confident87.2Confident73 Ų7352.5 Ų52.538%0.38229%0.289SS..EExtended strand (participates in β ladder)trans-89-32.7177.4-66172.9000111.8V31 K33 Y91L23-V31 HydrophobicContact CB-CG1 4.39Å; L23-V31 HydrophobicContact CD1-CG1 4.21Å; L23-V31 PolarHBondContact N-O 3.24Å; L23-K33 HydrophobicContact CD1-CB 3.99Å; L23-K33 HydrophobicContact CD2-CB 3.96Å; L23-K33 HydrophobicContact CG-CB 3.94Å; L23-Y91 HydrophobicContact CD1-CD2 4.09Å; L23-Y91 HydrophobicContact CD1-CE2 3.73Å; L23-Y91 HydrophobicContact CD2-CE2 4.2Å
24G84.7Confident87.5Confident25 Ų2552.4 Ų52.426%0.25829%0.289SS..EExtended strand (participates in β ladder)trans175.3-178179.400000113K22 S30 V31K22-G24 WeakPolarHBondContact CE-O 3.35Å; G24-S30 WeakPolarHBondContact O-CA 3.4Å; G24-V31 PolarHBondContact N-O 3.44Å; G24-V31 PolarHBondContact O-N 2.91Å
25K79.4Confident87.8Confident166 Ų16652.6 Ų52.672%0.72228%0.278SS*.EExtended strand (participates in β ladder)trans-133.2122.6173-173.1178.3178.3-1770108.3
26G69.3Low88Confident47 Ų4748 Ų4849%0.48526%0.256SS..EExtended strand (participates in β ladder)trans-98.5-171.8172.100000111.4Y28 G29G26-Y28 VanDerWaalsContact C-N 3.26Å; G26-Y28 PolarHBondContact O-N 2.94Å; G26-G29 PolarHBondContact N-O 2.8Å
27S62.1Low88Confident99 Ų9953 Ų5369%0.69228%0.277SS*.THydrogen-bonded Turntrans-63.8-29.6175.9480000113.6
28Y67.7Low87.9Confident40 Ų4056.4 Ų56.416%0.15731%0.305CS..THydrogen-bonded Turntrans-99.3-7.6-172.7-51.8-69.4000113.8G26 A158 L161 L165G26-Y28 VanDerWaalsContact C-N 3.26Å; G26-Y28 PolarHBondContact O-N 2.94Å; Y28-A158 HydrophobicContact CE2-CB 3.72Å; Y28-A158 WeakPolarHBondContact OH-CA 3.45Å; Y28-A158 PolarHBondContact OH-O 2.84Å; Y28-L161 HydrophobicContact CD1-CB 4.14Å; Y28-L161 HydrophobicContact CD1-CD1 4.41Å; Y28-L161 HydrophobicContact CE1-CB 3.67Å; Y28-L165 HydrophobicContact CD1-CD1 4.19Å; Y28-L165 HydrophobicContact CE1-CD1 4.1Å
29G77Confident87.7Confident11 Ų1156.5 Ų56.511%0.11331%0.309CS..EExtended strand (participates in β ladder)trans153.6-172.7-172.400000114.1G26 K47G26-G29 PolarHBondContact N-O 2.8Å; G29-K47 VanDerWaalsContact CA-O 3.23Å; G29-K47 WeakPolarHBondContact CA-O 3.38Å
30S87.5Confident87.5Confident16 Ų1655 Ų5511%0.11231%0.309CS..EExtended strand (participates in β ladder)trans-102.8139.9-179.8-64.40000110.7K22 G24 Y32 K47K22-S30 WeakPolarHBondContact CE-OG 3.3Å; K22-S30 PolarHBondContact NZ-OG 2.87Å; G24-S30 WeakPolarHBondContact O-CA 3.4Å; S30-Y32 VanDerWaalsContact CB-CE2 3.41Å; S30-K47 PolarHBondContact N-O 2.66Å; S30-K47 PolarHBondContact O-N 2.98Å
31V91.6Very high87.4Confident37 Ų3754.4 Ų54.422%0.22431%0.312CS..EExtended strand (participates in β ladder)trans-105.3133.9176.3-173.50000108.6L23 G24 A44 V45 K46L23-V31 HydrophobicContact CB-CG1 4.39Å; L23-V31 HydrophobicContact CD1-CG1 4.21Å; L23-V31 PolarHBondContact N-O 3.24Å; G24-V31 PolarHBondContact N-O 3.44Å; G24-V31 PolarHBondContact O-N 2.91Å; V31-A44 HydrophobicContact CG1-CB 4.45Å; V31-V45 CarbonylContact C-O 3.56Å; V31-V45 WeakPolarHBondContact CA-O 3.35Å; V31-K46 HydrophobicContact CG2-CB 4.32Å; V31-K46 HydrophobicContact CG2-CG 4.13Å
32Y94.7Very high87.6Confident49 Ų4956.5 Ų56.519%0.19232%0.321CS..EExtended strand (participates in β ladder)trans-124.5148.2-177.7-61.1-92.8000110.6I19 C21 K22 S30 A44 V45 K47I19-Y32 HydrophobicContact CD1-CG 4.45Å; I19-Y32 HydrophobicContact CG2-CD1 3.75Å; I19-Y32 HydrophobicContact CG2-CG 4.16Å; C21-Y32 CarbonylContact O-C 3.59Å; C21-Y32 VanDerWaalsContact O-CA 3.31Å; C21-Y32 WeakPolarHBondContact O-CA 3.43Å; K22-Y32 HydrophobicContact CB-CD1 3.88Å; K22-Y32 HydrophobicContact CB-CE1 3.79Å; K22-Y32 HydrophobicContact CD-CE1 4.18Å; K22-Y32 HydrophobicContact CG-CD1 4.17Å; K22-Y32 HydrophobicContact CG-CE1 3.86Å; S30-Y32 VanDerWaalsContact CB-CE2 3.41Å; Y32-A44 CarbonylContact O-C 3.56Å; Y32-A44 WeakPolarHBondContact O-CA 3.41Å; Y32-V45 PolarHBondContact N-O 2.98Å; Y32-V45 PolarHBondContact O-N 2.91Å; Y32-K47 HydrophobicContact CD2-CD 4.04Å; Y32-K47 HydrophobicContact CD2-CG 3.91Å; Y32-K47 HydrophobicContact CE2-CB 4.19Å; Y32-K47 HydrophobicContact CE2-CD 3.64Å; Y32-K47 HydrophobicContact CE2-CG 3.81Å
33K95.7Very high87.7Confident52 Ų5253 Ų5323%0.22631%0.306CS..EExtended strand (participates in β ladder)trans-81.6131.1162.3-169.8-177.5-179.9-1780106.9I20 C21 L23 I42 Y91I20-K33 HydrophobicContact CB-CB 4.46Å; I20-K33 WeakPolarHBondContact CB-O 3.29Å; I20-K33 HydrophobicContact CD1-CD 4.34Å; I20-K33 HydrophobicContact CD1-CG 4.19Å; I20-K33 PolarHBondContact N-O 3.26Å; C21-K33 PolarHBondContact N-O 3.08Å; C21-K33 PolarHBondContact O-N 3.37Å; L23-K33 HydrophobicContact CD1-CB 3.99Å; L23-K33 HydrophobicContact CD2-CB 3.96Å; L23-K33 HydrophobicContact CG-CB 3.94Å; K33-I42 HydrophobicContact CD-CG2 4.34Å; K33-I42 HydrophobicContact CG-CG2 3.89Å; K33-Y91 HydrophobicContact CD-CE2 4.33Å; K33-Y91 HydrophobicContact CG-CD2 4.46Å; K33-Y91 HydrophobicContact CG-CE2 4.09Å
34A96.7Very high88Confident0 Ų049.9 Ų49.90%029%0.291CS..EExtended strand (participates in β ladder)trans-133.9155.117700000111.1E18 I19 V43 V45E18-A34 CarbonylContact O-C 3.53Å; E18-A34 WeakPolarHBondContact O-CA 3.37Å; E18-A34 WeakPolarHBondContact O-CB 3.25Å; I19-A34 HydrophobicContact CD1-CB 3.96Å; A34-V43 HydrophobicContact CB-CG2 3.97Å; A34-V43 PolarHBondContact N-O 2.82Å; A34-V43 PolarHBondContact O-N 2.67Å; A34-V45 HydrophobicContact CB-CG2 3.57Å
35R96.9Very high88.4Confident78 Ų7848.7 Ų48.729%0.29428%0.279SS..EExtended strand (participates in β ladder)trans-96.3128.7167-169.3177.8-58.4-787.2108.7L17 E18 I20 G40 I42L17-R35 WeakPolarHBondContact CA-O 3.37Å; E18-R35 HydrophobicContact CB-CB 4.27Å; E18-R35 PolarHBondContact N-O 2.83Å; E18-R35 PolarHBondContact O-N 3.32Å; I20-R35 HydrophobicContact CD1-CB 4.11Å; I20-R35 HydrophobicContact CG1-CB 4.47Å; R35-G40 WeakPolarHBondContact CG-O 3.2Å; R35-G40 PolarHBondContact NH1-O 3.24Å; R35-I42 HydrophobicContact CB-CD1 4.49Å
36Y95Very high88.9Confident22 Ų2241.3 Ų41.39%0.08625%0.247CC..EExtended strand (participates in β ladder)trans-78.8117.9168.6173.4-128.4000109.4M1 L4 E8 V16 L17 A38 N39 G40 G41M1-Y36 HydrophobicContact CE-CD1 3.15Å; M1-Y36 HydrophobicContact CE-CD2 3.85Å; M1-Y36 HydrophobicContact CE-CE1 3.41Å; M1-Y36 VanDerWaalsContact CE-CE1 3.41Å; M1-Y36 HydrophobicContact CE-CE2 4.05Å; M1-Y36 HydrophobicContact CE-CG 3.38Å; M1-Y36 HydrophobicContact SD-CD1 3.72Å; M1-Y36 HydrophobicContact SD-CE1 4.31Å; M1-Y36 HydrophobicContact SD-CG 4.16Å; L4-Y36 HydrophobicContact CD2-CD2 4.12Å; L4-Y36 HydrophobicContact CD2-CE2 3.56Å; E8-Y36 WeakPolarHBondContact OE1-CE2 3.44Å; E8-Y36 PolarHBondContact OE1-OH 3Å; E8-Y36 PolarHBondContact OE2-OH 3.29Å; V16-Y36 HydrophobicContact CG1-CD2 3.95Å; V16-Y36 HydrophobicContact CG1-CE2 3.75Å; L17-Y36 HydrophobicContact CD2-CD2 4.15Å; Y36-A38 HydrophobicContact CD1-CB 4.45Å; Y36-A38 HydrophobicContact CE1-CB 3.75Å; Y36-A38 HydrophobicContact CE2-CB 3.99Å; Y36-A38 PolarHBondContact O-N 2.87Å; Y36-N39 VanDerWaalsContact CD1-OD1 3.23Å; Y36-N39 WeakPolarHBondContact CD1-OD1 3.19Å; Y36-N39 WeakPolarHBondContact CE1-ND2 3.47Å; Y36-G40 VanDerWaalsContact O-CA 3.24Å; Y36-G40 WeakPolarHBondContact O-CA 3.41Å; Y36-G40 PolarHBondContact O-N 3.44Å; Y36-G41 PolarHBondContact N-O 3.41Å
37K94.1Very high89.8Confident110 Ų11040.7 Ų40.748%0.47823%0.23SC..THydrogen-bonded Turntrans-67.7-33.4-166-72.7177.9167.5-174.70113.3S14 E15 V16 E18 N39S14-K37 PolarHBondContact O-NZ 2.8Å; E15-K37 VanDerWaalsContact O-CD 3.28Å; E15-K37 WeakPolarHBondContact O-CD 3.32Å; V16-K37 WeakPolarHBondContact O-CB 3.44Å; V16-K37 PolarHBondContact O-N 3.25Å; E18-K37 HydrophobicContact CB-CG 4.4Å; K37-N39 VanDerWaalsContact C-N 3.32Å; K37-N39 PolarHBondContact O-N 2.69Å
38A91.8Very high90.8Very high73 Ų7336.4 Ų36.460%0.60320%0.2SC*.THydrogen-bonded Turntrans-65.2-32-174.100000113.7Y36Y36-A38 HydrophobicContact CD1-CB 4.45Å; Y36-A38 HydrophobicContact CE1-CB 3.75Å; Y36-A38 HydrophobicContact CE2-CB 3.99Å; Y36-A38 PolarHBondContact O-N 2.87Å
39N91.6Very high91.3Very high101 Ų10137.3 Ų37.354%0.5421%0.211SC..THydrogen-bonded Turntrans-1343.7-17969.726.1000115Y36 K37 G41Y36-N39 VanDerWaalsContact CD1-OD1 3.23Å; Y36-N39 WeakPolarHBondContact CD1-OD1 3.19Å; Y36-N39 WeakPolarHBondContact CE1-ND2 3.47Å; K37-N39 VanDerWaalsContact C-N 3.32Å; K37-N39 PolarHBondContact O-N 2.69Å; N39-G41 PolarHBondContact O-N 3.2Å; N39-G41 WeakPolarHBondContact OD1-CA 3.28Å; N39-G41 PolarHBondContact OD1-N 2.81Å
40G92.7Very high90.9Very high29 Ų2938.5 Ų38.530%0.29922%0.216SC..  trans75.90.5179.900000115.5R35 Y36R35-G40 WeakPolarHBondContact CG-O 3.2Å; R35-G40 PolarHBondContact NH1-O 3.24Å; Y36-G40 VanDerWaalsContact O-CA 3.24Å; Y36-G40 WeakPolarHBondContact O-CA 3.41Å; Y36-G40 PolarHBondContact O-N 3.44Å
41G93.9Very high89.9Confident25 Ų2544.8 Ų44.826%0.25825%0.248SC..  trans-62.9147-178.100000113.2Y36 N39Y36-G41 PolarHBondContact N-O 3.41Å; N39-G41 PolarHBondContact O-N 3.2Å; N39-G41 WeakPolarHBondContact OD1-CA 3.28Å; N39-G41 PolarHBondContact OD1-N 2.81Å
42I96.1Very high88.4Confident59 Ų5944 Ų4430%0.30325%0.245SC..EExtended strand (participates in β ladder)trans-90.4131.7179.6-58.8-56.8000110.4I20 K33 R35 Y91I20-I42 HydrophobicContact CD1-CD1 3.77Å; K33-I42 HydrophobicContact CD-CG2 4.34Å; K33-I42 HydrophobicContact CG-CG2 3.89Å; R35-I42 HydrophobicContact CB-CD1 4.49Å; I42-Y91 HydrophobicContact CG2-CD1 3.66Å; I42-Y91 HydrophobicContact CG2-CD2 4.35Å; I42-Y91 HydrophobicContact CG2-CE1 4.14Å; I42-Y91 HydrophobicContact CG2-CG 3.78Å
43V95.6Very high86.9Confident0 Ų045.4 Ų45.40%026%0.255CS..EExtended strand (participates in β ladder)trans-131.2160.7178.9-60.80000111.1M1 L17 A34 V45 Y76M1-V43 HydrophobicContact CE-CG1 4.2Å; M1-V43 HydrophobicContact SD-CG1 3.54Å; M1-V43 VanDerWaalsContact SD-CG1 3.54Å; L17-V43 HydrophobicContact CD2-CG2 3.89Å; A34-V43 HydrophobicContact CB-CG2 3.97Å; A34-V43 PolarHBondContact N-O 2.82Å; A34-V43 PolarHBondContact O-N 2.67Å; V43-V45 HydrophobicContact CG2-CG2 4.15Å; V43-Y76 HydrophobicContact CG1-CD2 4.1Å; V43-Y76 HydrophobicContact CG1-CE2 4.07Å
44A94.8Very high85.6Confident8 Ų844.8 Ų44.87%0.06626%0.255CS..EExtended strand (participates in β ladder)trans-97.8137.9166.200000109.3V31 Y32 M89 Y91V31-A44 HydrophobicContact CG1-CB 4.45Å; Y32-A44 CarbonylContact O-C 3.56Å; Y32-A44 WeakPolarHBondContact O-CA 3.41Å; A44-M89 HydrophobicContact CB-CE 4.49Å; A44-M89 PolarHBondContact N-O 3Å; A44-M89 PolarHBondContact O-N 3.29Å; A44-Y91 HydrophobicContact CB-CD2 4.37Å
45V92.7Very high84.2Confident0 Ų048.5 Ų48.50%029%0.285CS..EExtended strand (participates in β ladder)trans-123.7117179-179.40000109L17 I19 V31 Y32 A34 V43 K47 W86 I87L17-V45 HydrophobicContact CD1-CG2 3.81Å; I19-V45 HydrophobicContact CD1-CB 4.49Å; V31-V45 CarbonylContact C-O 3.56Å; V31-V45 WeakPolarHBondContact CA-O 3.35Å; Y32-V45 PolarHBondContact N-O 2.98Å; Y32-V45 PolarHBondContact O-N 2.91Å; A34-V45 HydrophobicContact CB-CG2 3.57Å; V43-V45 HydrophobicContact CG2-CG2 4.15Å; V45-K47 HydrophobicContact CG1-CG 4.29Å; V45-W86 HydrophobicContact CG1-CB 3.96Å; V45-W86 HydrophobicContact CG1-CD2 4.03Å; V45-W86 HydrophobicContact CG1-CE3 3.58Å; V45-W86 HydrophobicContact CG1-CG 4.21Å; V45-W86 HydrophobicContact CG1-CZ3 4.46Å; V45-I87 WeakPolarHBondContact CA-O 3.4Å
46K89.2Confident82.7Confident12 Ų1247.5 Ų47.55%0.05229%0.285CS..EExtended strand (participates in β ladder)trans-95.9113.1172.8-173.1175.7-169.3175.10108.6V31 V48 I87 M89 D154V31-K46 HydrophobicContact CG2-CB 4.32Å; V31-K46 HydrophobicContact CG2-CG 4.13Å; K46-V48 HydrophobicContact CG-CG2 4.14Å; K46-I87 HydrophobicContact CB-CB 4.32Å; K46-I87 PolarHBondContact N-O 3.25Å; K46-I87 PolarHBondContact O-N 3Å; K46-M89 HydrophobicContact CB-CE 3.72Å; K46-M89 HydrophobicContact CD-CE 4.44Å; K46-D154 IonicContact NZ-OD1 2.69Å; K46-D154 PolarHBondContact NZ-OD1 2.7Å; K46-D154 IonicContact NZ-OD2 3.07Å
47K89Confident81.4Confident33 Ų3346.6 Ų46.614%0.14328%0.282CS..EExtended strand (participates in β ladder)trans-91.1120.4174.5-60.8-167.6-172.1-1680109.5G29 S30 Y32 V45 D84 L85 W86G29-K47 VanDerWaalsContact CA-O 3.23Å; G29-K47 WeakPolarHBondContact CA-O 3.38Å; S30-K47 PolarHBondContact N-O 2.66Å; S30-K47 PolarHBondContact O-N 2.98Å; Y32-K47 HydrophobicContact CD2-CD 4.04Å; Y32-K47 HydrophobicContact CD2-CG 3.91Å; Y32-K47 HydrophobicContact CE2-CB 4.19Å; Y32-K47 HydrophobicContact CE2-CD 3.64Å; Y32-K47 HydrophobicContact CE2-CG 3.81Å; V45-K47 HydrophobicContact CG1-CG 4.29Å; K47-D84 HydrophobicContact CB-CB 4.21Å; K47-L85 WeakPolarHBondContact CA-O 3.29Å; K47-W86 HydrophobicContact CD-CD2 4.19Å; K47-W86 HydrophobicContact CD-CZ2 4.04Å; K47-W86 VanDerWaalsContact CE-CH2 3.47Å; K47-W86 HydrophobicContact CG-CD2 4.08Å; K47-W86 HydrophobicContact CG-CG 4.14Å; K47-W86 VanDerWaalsContact NZ-CH2 3.27Å
48V81.9Confident80.3Confident9 Ų944.3 Ų44.36%0.05528%0.277CS..EExtended strand (participates in β ladder)trans-116.9118.5-178.6-179.20000108.6K46 I57 D84 L85 I87K46-V48 HydrophobicContact CG-CG2 4.14Å; V48-I57 HydrophobicContact CG1-CD1 4.1Å; V48-D84 WeakPolarHBondContact O-CA 3.46Å; V48-L85 PolarHBondContact N-O 3.3Å; V48-L85 PolarHBondContact O-N 2.74Å; V48-I87 HydrophobicContact CG2-CD1 4.2Å
49P78.8Confident79.2Confident60 Ų6047.2 Ų47.239%0.3928%0.276SS..EExtended strand (participates in β ladder)trans-60.7137.1177.2-23.934.2000111.9D51 S52 D84P49-D51 VanDerWaalsContact C-N 3.25Å; P49-D51 PolarHBondContact O-N 2.87Å; P49-S52 PolarHBondContact O-OG 3.41Å; P49-D84 WeakPolarHBondContact CA-OD1 3.27Å
50V69.1Low78Confident36 Ų3642.6 Ų42.622%0.21825%0.251CS..THydrogen-bonded Turntrans-81-1.6-168.1179.80000113.3S52 L54 F80 Q83 L85V50-S52 PolarHBondContact O-N 3.14Å; V50-L54 HydrophobicContact CG1-CD1 4.35Å; V50-L54 HydrophobicContact CG1-CD2 4.19Å; V50-F80 HydrophobicContact CB-CE2 4.21Å; V50-F80 HydrophobicContact CG1-CE2 3.87Å; V50-F80 HydrophobicContact CG1-CZ 4.3Å; V50-F80 HydrophobicContact CG2-CD2 4.11Å; V50-F80 HydrophobicContact CG2-CE2 3.37Å; V50-F80 HydrophobicContact CG2-CZ 4.18Å; V50-Q83 WeakPolarHBondContact CG2-O 3.27Å; V50-Q83 PolarHBondContact N-O 3.33Å; V50-Q83 VanDerWaalsContact N-O 3.11Å; V50-L85 HydrophobicContact CG2-CB 4.37Å
51D66.8Low77.1Confident147 Ų14741.4 Ų41.479%0.78624%0.238SC*.THydrogen-bonded Turntrans-63.6-6.5174.7-60.1-26.5000114P49 R168P49-D51 VanDerWaalsContact C-N 3.25Å; P49-D51 PolarHBondContact O-N 2.87Å; D51-R168 PolarHBondContact O-NH1 3.17Å
52S59.2Low76.3Confident21 Ų2142.5 Ų42.515%0.14724%0.242CC..SBendtrans-88.1155.6171.1480000112.9P49 V50 L54 I57P49-S52 PolarHBondContact O-OG 3.41Å; V50-S52 PolarHBondContact O-N 3.14Å; S52-L54 VanDerWaalsContact C-N 3.33Å; S52-L54 PolarHBondContact O-N 3.32Å; S52-I57 WeakPolarHBondContact OG-CD1 3.47Å
53D63.4Low75.2Confident78 Ų7842 Ų4242%0.41724%0.24SC..  trans-57.788.7179.9-70.3-53.4000112A55 D56 I57 T164 R168D53-A55 PolarHBondContact O-N 3.26Å; D53-A55 VanDerWaalsContact O-N 3.1Å; D53-D56 PolarHBondContact O-N 3.17Å; D53-D56 VanDerWaalsContact O-N 3.08Å; D53-I57 PolarHBondContact O-N 3.02Å; D53-T164 HydrophobicContact CB-CG2 4.39Å; D53-T164 WeakPolarHBondContact OD2-CG2 3.23Å; D53-R168 IonicContact OD1-NH2 3.48Å; D53-R168 IonicContact OD2-NH2 3.5Å
54L67.7Low74.4Confident40 Ų4042.4 Ų42.421%0.20924%0.241CC..Hα-helixtrans-56.6-32.1-170.8-175.564.1000112.8V50 S52 D56 I57 V58 L85 L376V50-L54 HydrophobicContact CG1-CD1 4.35Å; V50-L54 HydrophobicContact CG1-CD2 4.19Å; S52-L54 VanDerWaalsContact C-N 3.33Å; S52-L54 PolarHBondContact O-N 3.32Å; L54-D56 PolarHBondContact O-N 2.98Å; L54-I57 PolarHBondContact O-N 3.09Å; L54-V58 HydrophobicContact CD1-CG2 4.16Å; L54-V58 HydrophobicContact CG-CG2 4.08Å; L54-V58 WeakPolarHBondContact O-CB 3.45Å; L54-V58 VanDerWaalsContact O-CG2 3.26Å; L54-V58 WeakPolarHBondContact O-CG2 3.09Å; L54-V58 PolarHBondContact O-N 3.47Å; L54-L85 HydrophobicContact CD1-CD2 4.09Å; L54-L376 HydrophobicContact CD2-CD1 4.08Å
55A68.9Low73.8Confident78 Ų7844.3 Ų44.365%0.64525%0.249SC*.Hα-helixtrans-61.7-40.6179.100000113D53 K59D53-A55 PolarHBondContact O-N 3.26Å; D53-A55 VanDerWaalsContact O-N 3.1Å; A55-K59 WeakPolarHBondContact O-CB 3.36Å; A55-K59 PolarHBondContact O-N 2.87Å; A55-K59 VanDerWaalsContact O-N 3.16Å
56D64.2Low73.2Confident56 Ų5649.5 Ų49.530%0.29927%0.273SS..Hα-helixtrans-67.4-42.7177-76.3-16.3000109.9D53 L54 K59 E60 T164D53-D56 PolarHBondContact O-N 3.17Å; D53-D56 VanDerWaalsContact O-N 3.08Å; L54-D56 PolarHBondContact O-N 2.98Å; D56-K59 PolarHBondContact O-N 3.1Å; D56-E60 WeakPolarHBondContact O-CG 3.45Å; D56-E60 PolarHBondContact O-N 3.06Å; D56-T164 PolarHBondContact OD2-OG1 3.23Å
57I68.1Low73Confident3 Ų349.3 Ų49.32%0.01527%0.273CS..Hα-helixtrans-62.9-46.6179.3-58.6176.4000111.5V48 S52 D53 L54 K59 E60 I61 L85 L161V48-I57 HydrophobicContact CG1-CD1 4.1Å; S52-I57 WeakPolarHBondContact OG-CD1 3.47Å; D53-I57 PolarHBondContact O-N 3.02Å; L54-I57 PolarHBondContact O-N 3.09Å; I57-K59 VanDerWaalsContact C-N 3.33Å; I57-K59 PolarHBondContact O-N 3.23Å; I57-E60 PolarHBondContact O-N 3.21Å; I57-I61 HydrophobicContact CG2-CD1 3.82Å; I57-I61 HydrophobicContact CG2-CG1 4.41Å; I57-I61 WeakPolarHBondContact O-CG1 3.43Å; I57-I61 PolarHBondContact O-N 3.17Å; I57-L85 HydrophobicContact CB-CD2 4.42Å; I57-L85 HydrophobicContact CG2-CD2 3.38Å; I57-L161 HydrophobicContact CD1-CD2 4.03Å; I57-L161 HydrophobicContact CG1-CD1 4.17Å; I57-L161 HydrophobicContact CG1-CD2 3.75Å; I57-L161 HydrophobicContact CG1-CG 4.35Å
58V71.7Confident73Confident62 Ų6252.8 Ų52.838%0.37629%0.293SS..Hα-helixtrans-62.2-42.6179.4168.80000110.9L54 E60 I61 S62L54-V58 HydrophobicContact CD1-CG2 4.16Å; L54-V58 HydrophobicContact CG-CG2 4.08Å; L54-V58 WeakPolarHBondContact O-CB 3.45Å; L54-V58 VanDerWaalsContact O-CG2 3.26Å; L54-V58 WeakPolarHBondContact O-CG2 3.09Å; L54-V58 PolarHBondContact O-N 3.47Å; V58-E60 VanDerWaalsContact C-N 3.32Å; V58-E60 PolarHBondContact O-N 2.84Å; V58-I61 PolarHBondContact O-N 2.84Å; V58-S62 PolarHBondContact O-N 3.18Å
59K67.5Low73.5Confident135 Ų13552.6 Ų52.659%0.58729%0.293SS*.Hα-helixtrans-60.9-41.7176-175.6179.6179.8179.30111.6A55 D56 I57 S62 I63A55-K59 WeakPolarHBondContact O-CB 3.36Å; A55-K59 PolarHBondContact O-N 2.87Å; A55-K59 VanDerWaalsContact O-N 3.16Å; D56-K59 PolarHBondContact O-N 3.1Å; I57-K59 VanDerWaalsContact C-N 3.33Å; I57-K59 PolarHBondContact O-N 3.23Å; K59-S62 WeakPolarHBondContact O-CB 3.49Å; K59-S62 PolarHBondContact O-N 3.21Å; K59-I63 WeakPolarHBondContact O-CG1 3.04Å; K59-I63 PolarHBondContact O-N 2.89Å; K59-I63 VanDerWaalsContact O-N 3.1Å
60E66.3Low74.3Confident3 Ų354 Ų541%0.01430%0.301CS..Hα-helixtrans-68.5-40.8177.8-71.3172.3165.600112.6D56 I57 V58 S62 I63 M64 G156 V157 Q160 L161D56-E60 WeakPolarHBondContact O-CG 3.45Å; D56-E60 PolarHBondContact O-N 3.06Å; I57-E60 PolarHBondContact O-N 3.21Å; V58-E60 VanDerWaalsContact C-N 3.32Å; V58-E60 PolarHBondContact O-N 2.84Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 2.82Å; E60-I63 WeakPolarHBondContact O-CA 3.3Å; E60-I63 WeakPolarHBondContact O-CB 3.31Å; E60-I63 PolarHBondContact O-N 2.65Å; E60-I63 VanDerWaalsContact O-N 3.08Å; E60-M64 PolarHBondContact O-N 2.96Å; E60-G156 VanDerWaalsContact OE1-O 3.12Å; E60-V157 HydrophobicContact CB-CG2 4.24Å; E60-V157 VanDerWaalsContact OE2-CA 3.25Å; E60-V157 WeakPolarHBondContact OE2-CA 3.46Å; E60-V157 WeakPolarHBondContact OE2-CG1 3.47Å; E60-Q160 WeakPolarHBondContact OE1-CB 3.49Å; E60-L161 WeakPolarHBondContact OE2-CD1 3.41Å
61I74.8Confident75.6Confident4 Ų454.1 Ų54.12%0.02130%0.299CS..Hα-helixtrans-59.5-42.4173.3-69.6165.6000110.3I57 V58 I63 M64 Q65 L85 I87I57-I61 HydrophobicContact CG2-CD1 3.82Å; I57-I61 HydrophobicContact CG2-CG1 4.41Å; I57-I61 WeakPolarHBondContact O-CG1 3.43Å; I57-I61 PolarHBondContact O-N 3.17Å; V58-I61 PolarHBondContact O-N 2.84Å; I61-I63 VanDerWaalsContact C-N 3.3Å; I61-I63 PolarHBondContact O-N 2.79Å; I61-M64 PolarHBondContact O-N 3.39Å; I61-M64 VanDerWaalsContact O-N 3.15Å; I61-Q65 HydrophobicContact CG2-CG 4.26Å; I61-Q65 WeakPolarHBondContact O-CB 3.46Å; I61-Q65 VanDerWaalsContact O-CG 3.32Å; I61-Q65 WeakPolarHBondContact O-CG 3.16Å; I61-Q65 PolarHBondContact O-N 2.81Å; I61-L85 HydrophobicContact CD1-CD2 3.43Å; I61-L85 VanDerWaalsContact CD1-CD2 3.43Å; I61-L85 HydrophobicContact CD1-CG 4.28Å; I61-I87 HydrophobicContact CD1-CD1 3.79Å; I61-I87 HydrophobicContact CD1-CG1 3.79Å; I61-I87 HydrophobicContact CG1-CD1 3.98Å; I61-I87 HydrophobicContact CG1-CG1 4.29Å
62S76.2Confident76.9Confident49 Ų4947.2 Ų47.234%0.34326%0.262SS..Hα-helixtrans-58.8-42174.4-174.40000111.8V58 K59 E60 M64 Q65 Q66V58-S62 PolarHBondContact O-N 3.18Å; K59-S62 WeakPolarHBondContact O-CB 3.49Å; K59-S62 PolarHBondContact O-N 3.21Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 2.82Å; S62-M64 PolarHBondContact O-N 3.15Å; S62-Q65 PolarHBondContact O-N 2.82Å; S62-Q66 VanDerWaalsContact O-CG 3.24Å; S62-Q66 WeakPolarHBondContact O-CG 3.44Å; S62-Q66 PolarHBondContact O-N 2.94Å; S62-Q66 VanDerWaalsContact O-N 3.09Å
63I73.6Confident78.5Confident49 Ų4946.6 Ų46.625%0.25126%0.258SS..Hα-helixtrans-62.8-41.7175.7-69168.4000111.2K59 E60 I61 Q66 K132K59-I63 WeakPolarHBondContact O-CG1 3.04Å; K59-I63 PolarHBondContact O-N 2.89Å; K59-I63 VanDerWaalsContact O-N 3.1Å; E60-I63 WeakPolarHBondContact O-CA 3.3Å; E60-I63 WeakPolarHBondContact O-CB 3.31Å; E60-I63 PolarHBondContact O-N 2.65Å; E60-I63 VanDerWaalsContact O-N 3.08Å; I61-I63 VanDerWaalsContact C-N 3.3Å; I61-I63 PolarHBondContact O-N 2.79Å; I63-Q66 PolarHBondContact O-N 3.1Å; I63-K132 HydrophobicContact CG2-CD 3.81Å; I63-K132 PolarHBondContact O-NZ 2.94Å
64M78Confident79.9Confident7 Ų746.1 Ų46.13%0.03425%0.252CS..Hα-helixtrans-65.5-44.4177.1-72.3-177.572.900111.7E60 I61 S62 Q66 C67 C75 M89 F155 V157E60-M64 PolarHBondContact O-N 2.96Å; I61-M64 PolarHBondContact O-N 3.39Å; I61-M64 VanDerWaalsContact O-N 3.15Å; S62-M64 PolarHBondContact O-N 3.15Å; M64-Q66 PolarHBondContact O-N 3.03Å; M64-C67 WeakPolarHBondContact O-CB 3.33Å; M64-C67 PolarHBondContact O-N 3.07Å; M64-C75 HydrophobicContact CB-CB 4.06Å; M64-C75 HydrophobicContact CE-CB 4.43Å; M64-M89 HydrophobicContact CE-SD 4.44Å; M64-F155 HydrophobicContact CB-CZ 4.12Å; M64-F155 HydrophobicContact CE-CE1 4.29Å; M64-F155 HydrophobicContact CG-CE1 4.16Å; M64-F155 HydrophobicContact CG-CE2 4.27Å; M64-F155 HydrophobicContact CG-CZ 3.93Å; M64-V157 HydrophobicContact CG-CG2 4.12Å; M64-V157 HydrophobicContact SD-CG2 3.26Å; M64-V157 WeakPolarHBondContact SD-CG2 3.32Å
65Q82.1Confident80.9Confident49 Ų4944.5 Ų44.523%0.22924%0.244CC..Hα-helixtrans-60.3-35.3178.4-74.3174.9-5.900111.5R3 I61 S62 C67 C75R3-Q65 VanDerWaalsContact CZ-O 3.31Å; R3-Q65 PolarHBondContact NH2-O 3.37Å; I61-Q65 HydrophobicContact CG2-CG 4.26Å; I61-Q65 WeakPolarHBondContact O-CB 3.46Å; I61-Q65 VanDerWaalsContact O-CG 3.32Å; I61-Q65 WeakPolarHBondContact O-CG 3.16Å; I61-Q65 PolarHBondContact O-N 2.81Å; S62-Q65 PolarHBondContact O-N 2.82Å; Q65-C67 PolarHBondContact O-N 3.32Å; Q65-C75 HydrophobicContact CG-CB 4.17Å
66Q81.6Confident81.9Confident108 Ų10841.8 Ų41.851%0.50522%0.217SC..THydrogen-bonded Turntrans-66.8-14.4176.3-69.9164.821.500114.3S62 I63 M64S62-Q66 VanDerWaalsContact O-CG 3.24Å; S62-Q66 WeakPolarHBondContact O-CG 3.44Å; S62-Q66 PolarHBondContact O-N 2.94Å; S62-Q66 VanDerWaalsContact O-N 3.09Å; I63-Q66 PolarHBondContact O-N 3.1Å; M64-Q66 PolarHBondContact O-N 3.03Å
67C84.9Confident83Confident8 Ų839.2 Ų39.25%0.05420%0.204CC..  trans-85.2119.9177.5-70.50000110.5M64 Q65 I72 Y126 K132 F155M64-C67 WeakPolarHBondContact O-CB 3.33Å; M64-C67 PolarHBondContact O-N 3.07Å; Q65-C67 PolarHBondContact O-N 3.32Å; C67-I72 HydrophobicContact CB-CG2 4.31Å; C67-Y126 WeakPolarHBondContact CA-OH 3.33Å; C67-Y126 HydrophobicContact CB-CE1 4.05Å; C67-K132 PolarHBondContact SG-NZ 3.22Å; C67-K132 VanDerWaalsContact SG-NZ 3.35Å; C67-F155 HydrophobicContact CB-CE2 4.31Å; C67-F155 HydrophobicContact CB-CZ 3.72Å; C67-F155 VanDerWaalsContact SG-CE2 3.53Å; C67-F155 VanDerWaalsContact SG-CZ 3.59Å
68D88Confident83.8Confident106 Ų10640.7 Ų40.757%0.56721%0.214SC*.  trans-125.694.6170.8-171.729.9000108.3K74 Y126D68-K74 IonicContact OD1-NZ 3.8Å; D68-K74 PolarHBondContact OD1-NZ 3.32Å; D68-Y126 PolarHBondContact N-OH 3.07Å; D68-Y126 PolarHBondContact O-OH 3.2Å
69S92.7Very high84.6Confident6 Ų637.8 Ų37.84%0.04220%0.197CC..  trans-147.1140.5179.8170.90000109.1F71 I72S69-F71 PolarHBondContact O-N 3.18Å; S69-F71 PolarHBondContact OG-N 3.3Å; S69-I72 PolarHBondContact O-N 3.12Å
70P95Very high85.3Confident88 Ų8835 Ų3557%0.57119%0.185SC*.THydrogen-bonded Turntrans-64-20.7175.626.9-33.8000112.6K151P70-K151 VanDerWaalsContact O-CE 3.3Å; P70-K151 WeakPolarHBondContact O-CE 3.37Å; P70-K151 WeakPolarHBondContact O-CG 3.27Å; P70-K151 PolarHBondContact O-NZ 3.19Å
71F96.6Very high86.1Confident40 Ų4037 Ų3718%0.17520%0.195CC..THydrogen-bonded Turntrans-91.60.1-177.3-50.7-68.3000114S69 Y119 C122 K151 L152S69-F71 PolarHBondContact O-N 3.18Å; S69-F71 PolarHBondContact OG-N 3.3Å; F71-Y119 AromaticContact CD1-CD1 3.74Å; F71-Y119 HydrophobicContact CD1-CD1 3.74Å; F71-Y119 HydrophobicContact CD1-CE1 4.43Å; F71-Y119 HydrophobicContact CD1-CG 4.42Å; F71-Y119 AromaticContact CE1-CD1 3.83Å; F71-Y119 HydrophobicContact CE1-CD1 3.83Å; F71-Y119 HydrophobicContact CE1-CE1 4.14Å; F71-C122 HydrophobicContact CB-CB 4.49Å; F71-C122 HydrophobicContact CD1-CB 3.8Å; F71-C122 HydrophobicContact CD2-CB 3.62Å; F71-C122 HydrophobicContact CE1-CB 3.86Å; F71-C122 HydrophobicContact CE2-CB 3.67Å; F71-C122 HydrophobicContact CG-CB 3.69Å; F71-C122 HydrophobicContact CZ-CB 3.79Å; F71-K151 WeakPolarHBondContact O-CA 3.45Å; F71-L152 PolarHBondContact O-N 3.43Å
72I94.3Very high86Confident2 Ų242.1 Ų42.11%0.0123%0.232CC..BIsolated β-bridgetrans-121.4138179.9-56.4-59.9000108.4C67 S69 K74 Y126 L127 L152 F155C67-I72 HydrophobicContact CB-CG2 4.31Å; S69-I72 PolarHBondContact O-N 3.12Å; I72-K74 PolarHBondContact O-N 3.25Å; I72-Y126 HydrophobicContact CG1-CD1 3.93Å; I72-Y126 HydrophobicContact CG1-CE1 4.23Å; I72-L127 HydrophobicContact CD1-CD1 3.88Å; I72-L127 HydrophobicContact CD1-CD2 4.29Å; I72-L127 HydrophobicContact CD1-CG 3.94Å; I72-L152 HydrophobicContact CD1-CB 3.86Å; I72-L152 HydrophobicContact CD1-CD1 4Å; I72-L152 HydrophobicContact CD1-CG 4.28Å; I72-F155 HydrophobicContact CG2-CD1 3.7Å; I72-F155 HydrophobicContact CG2-CE1 3.08Å; I72-F155 HydrophobicContact CG2-CZ 3.64Å
73V93.5Very high86.2Confident7 Ų746.5 Ų46.54%0.04225%0.247CC..PPolyproline II helixtrans-63.2124.7174.31740000109.5M89 E90 L143 K151 L152 A153V73-M89 HydrophobicContact CG1-CB 4.35Å; V73-E90 HydrophobicContact CG1-CB 4.06Å; V73-L143 HydrophobicContact CG2-CD1 4.17Å; V73-K151 HydrophobicContact CG2-CB 3.78Å; V73-K151 HydrophobicContact CG2-CD 4.43Å; V73-L152 PolarHBondContact N-O 3.48Å; V73-A153 HydrophobicContact CB-CB 4.39Å; V73-A153 HydrophobicContact CG2-CB 3.77Å
74K91.9Very high86.7Confident69 Ų6945.7 Ų45.730%0.324%0.243SC..PPolyproline II helixtrans-72.6135-178.3-61.6-170.6175.9-151.70111.4D68 I72 Y76 M89 E90D68-K74 IonicContact OD1-NZ 3.8Å; D68-K74 PolarHBondContact OD1-NZ 3.32Å; I72-K74 PolarHBondContact O-N 3.25Å; K74-Y76 HydrophobicContact CB-CD1 4.44Å; K74-Y76 HydrophobicContact CB-CE1 3.87Å; K74-Y76 HydrophobicContact CD-CE1 4.4Å; K74-M89 CarbonylContact O-C 3.52Å; K74-M89 VanDerWaalsContact O-CA 3.3Å; K74-M89 WeakPolarHBondContact O-CA 3.37Å; K74-E90 HydrophobicContact CB-CB 4.15Å; K74-E90 PolarHBondContact N-OE2 3.23Å; K74-E90 PolarHBondContact O-N 2.71Å
75C90.1Very high87Confident5 Ų545.8 Ų45.83%0.03424%0.243CC..EExtended strand (participates in β ladder)trans-95.9118.9165.4-179.70000108.9M64 Q65M64-C75 HydrophobicContact CB-CB 4.06Å; M64-C75 HydrophobicContact CE-CB 4.43Å; Q65-C75 HydrophobicContact CG-CB 4.17Å
76Y89.3Confident87.4Confident21 Ų2144.2 Ų44.28%0.08224%0.235CC..EExtended strand (participates in β ladder)trans-86.5-23.8-178.7-60.5-48.4000112.8M1 Q2 R3 L4 V43 K74 C88 E90M1-Y76 HydrophobicContact CB-CE1 4.04Å; M1-Y76 HydrophobicContact CB-CE2 4.14Å; M1-Y76 HydrophobicContact CG-CE2 4.49Å; M1-Y76 WeakPolarHBondContact O-CE1 3.34Å; M1-Y76 HydrophobicContact SD-CD2 4.22Å; M1-Y76 HydrophobicContact SD-CE2 4.22Å; Q2-Y76 WeakPolarHBondContact O-CD1 3.46Å; R3-Y76 WeakPolarHBondContact CA-O 3.12Å; L4-Y76 PolarHBondContact N-O 3.23Å; V43-Y76 HydrophobicContact CG1-CD2 4.1Å; V43-Y76 HydrophobicContact CG1-CE2 4.07Å; K74-Y76 HydrophobicContact CB-CD1 4.44Å; K74-Y76 HydrophobicContact CB-CE1 3.87Å; K74-Y76 HydrophobicContact CD-CE1 4.4Å; Y76-C88 PolarHBondContact N-O 3.39Å; Y76-E90 HydrophobicContact CE2-CB 4.28Å
77G86.6Confident87.7Confident2 Ų239.2 Ų39.22%0.02121%0.212CC..EExtended strand (participates in β ladder)trans161.2174.9-177.100000111.4C88G77-C88 PolarHBondContact O-N 2.98Å
78S85.3Confident88Confident34 Ų3438.8 Ų38.824%0.23821%0.21CC..EExtended strand (participates in β ladder)trans-129.4134.4169.655.70000109.8L9 W86L9-S78 WeakPolarHBondContact CD2-O 3.23Å; S78-W86 CarbonylContact C-O 3.54Å; S78-W86 VanDerWaalsContact CA-O 3.23Å; S78-W86 WeakPolarHBondContact CA-O 3.44Å
79L87.6Confident88.2Confident2 Ų234.7 Ų34.71%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-112.3159174.7-61.9155000108.1L4 E8 L9 P13 V16 L17 W86L4-L79 HydrophobicContact CD1-CD1 4.05Å; L4-L79 HydrophobicContact CD1-CG 4.21Å; E8-L79 WeakPolarHBondContact O-CD2 2.92Å; L9-L79 HydrophobicContact CD2-CD2 4.41Å; P13-L79 HydrophobicContact CB-CB 4.11Å; P13-L79 HydrophobicContact CB-CD1 4.4Å; P13-L79 HydrophobicContact CG-CB 3.81Å; V16-L79 HydrophobicContact CB-CD1 4.05Å; V16-L79 HydrophobicContact CG1-CD1 4.12Å; V16-L79 HydrophobicContact CG2-CD1 4.44Å; V16-L79 HydrophobicContact CG2-CD2 4.29Å; L17-L79 HydrophobicContact CD1-CD1 3.65Å; L17-L79 HydrophobicContact CG-CD1 4.16Å; L79-W86 HydrophobicContact CB-CB 4.26Å; L79-W86 PolarHBondContact N-O 3.4Å; L79-W86 PolarHBondContact O-N 3.49Å
80F83.7Confident88.2Confident77 Ų7735.8 Ų35.834%0.33819%0.192SC..EExtended strand (participates in β ladder)trans-130.8132.6-177.3-178-97.5000109.8P13 V50 L85P13-F80 WeakPolarHBondContact CD-O 3.37Å; V50-F80 HydrophobicContact CB-CE2 4.21Å; V50-F80 HydrophobicContact CG1-CE2 3.87Å; V50-F80 HydrophobicContact CG1-CZ 4.3Å; V50-F80 HydrophobicContact CG2-CD2 4.11Å; V50-F80 HydrophobicContact CG2-CE2 3.37Å; V50-F80 HydrophobicContact CG2-CZ 4.18Å; F80-L85 HydrophobicContact CD2-CD1 4.28Å
81D81.4Confident88.2Confident43 Ų4334.3 Ų34.323%0.2318%0.175CC..  trans-113.3-178161.869.833.2000110.1P13 Q83 D84 W86P13-D81 HydrophobicContact CG-CB 4.05Å; D81-Q83 PolarHBondContact O-N 3.32Å; D81-Q83 PolarHBondContact OD1-N 3.49Å; D81-D84 PolarHBondContact N-O 3.49Å; D81-D84 VanDerWaalsContact N-O 3.12Å; D81-D84 PolarHBondContact OD1-N 2.97Å; D81-W86 WeakPolarHBondContact OD2-CZ2 3.21Å; D81-W86 PolarHBondContact OD2-NE1 3.04Å
82S72.7Confident88.2Confident113 Ų11332.9 Ų32.979%0.7917%0.17SC*.SBendtrans-58.9-15.9-17651.90000115.4
83Q81.3Confident88.1Confident140 Ų14033.1 Ų33.165%0.65417%0.173SC*.SBendtrans-125.4-37.3-171.9-65.5-178-5.200113V50 D81V50-Q83 WeakPolarHBondContact CG2-O 3.27Å; V50-Q83 PolarHBondContact N-O 3.33Å; V50-Q83 VanDerWaalsContact N-O 3.11Å; D81-Q83 PolarHBondContact O-N 3.32Å; D81-Q83 PolarHBondContact OD1-N 3.49Å
84D84.2Confident88.1Confident33 Ų3332.8 Ų32.818%0.17617%0.171CC..EExtended strand (participates in β ladder)trans-126.7142.2-168.8-71-39.7000112.1K47 V48 P49 D81K47-D84 HydrophobicContact CB-CB 4.21Å; V48-D84 WeakPolarHBondContact O-CA 3.46Å; P49-D84 WeakPolarHBondContact CA-OD1 3.27Å; D81-D84 PolarHBondContact N-O 3.49Å; D81-D84 VanDerWaalsContact N-O 3.12Å; D81-D84 PolarHBondContact OD1-N 2.97Å
85L85.3Confident88.2Confident8 Ų830.3 Ų30.34%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-85.5121.2161.1-175.769.3000109.5K47 V48 V50 L54 I57 I61 F80 I87K47-L85 WeakPolarHBondContact CA-O 3.29Å; V48-L85 PolarHBondContact N-O 3.3Å; V48-L85 PolarHBondContact O-N 2.74Å; V50-L85 HydrophobicContact CG2-CB 4.37Å; L54-L85 HydrophobicContact CD1-CD2 4.09Å; I57-L85 HydrophobicContact CB-CD2 4.42Å; I57-L85 HydrophobicContact CG2-CD2 3.38Å; I61-L85 HydrophobicContact CD1-CD2 3.43Å; I61-L85 VanDerWaalsContact CD1-CD2 3.43Å; I61-L85 HydrophobicContact CD1-CG 4.28Å; F80-L85 HydrophobicContact CD2-CD1 4.28Å; L85-I87 HydrophobicContact CG-CG1 4.44Å
86W89.8Confident88.5Confident16 Ų1630.2 Ų30.26%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-100.3105.3-179-68.847.2000110P13 L17 I19 V45 K47 S78 L79 D81P13-W86 HydrophobicContact CB-CD2 3.54Å; P13-W86 HydrophobicContact CB-CE3 3.52Å; P13-W86 HydrophobicContact CB-CG 4.06Å; P13-W86 HydrophobicContact CB-CH2 4.03Å; P13-W86 HydrophobicContact CB-CZ2 4Å; P13-W86 HydrophobicContact CB-CZ3 3.79Å; P13-W86 HydrophobicContact CG-CD2 3.99Å; P13-W86 HydrophobicContact CG-CE3 4.45Å; P13-W86 HydrophobicContact CG-CG 4.05Å; L17-W86 HydrophobicContact CD1-CE3 4.16Å; I19-W86 HydrophobicContact CD1-CE3 4.24Å; I19-W86 HydrophobicContact CD1-CH2 4.01Å; I19-W86 HydrophobicContact CD1-CZ3 3.47Å; I19-W86 VanDerWaalsContact CD1-CZ3 3.47Å; I19-W86 HydrophobicContact CG1-CH2 3.82Å; I19-W86 HydrophobicContact CG1-CZ3 3.78Å; V45-W86 HydrophobicContact CG1-CB 3.96Å; V45-W86 HydrophobicContact CG1-CD2 4.03Å; V45-W86 HydrophobicContact CG1-CE3 3.58Å; V45-W86 HydrophobicContact CG1-CG 4.21Å; V45-W86 HydrophobicContact CG1-CZ3 4.46Å; K47-W86 HydrophobicContact CD-CD2 4.19Å; K47-W86 HydrophobicContact CD-CZ2 4.04Å; K47-W86 VanDerWaalsContact CE-CH2 3.47Å; K47-W86 HydrophobicContact CG-CD2 4.08Å; K47-W86 HydrophobicContact CG-CG 4.14Å; K47-W86 VanDerWaalsContact NZ-CH2 3.27Å; S78-W86 CarbonylContact C-O 3.54Å; S78-W86 VanDerWaalsContact CA-O 3.23Å; S78-W86 WeakPolarHBondContact CA-O 3.44Å; L79-W86 HydrophobicContact CB-CB 4.26Å; L79-W86 PolarHBondContact N-O 3.4Å; L79-W86 PolarHBondContact O-N 3.49Å; D81-W86 WeakPolarHBondContact OD2-CZ2 3.21Å; D81-W86 PolarHBondContact OD2-NE1 3.04Å
87I87.2Confident88.9Confident3 Ų329.3 Ų29.32%0.01516%0.161CC..EExtended strand (participates in β ladder)trans-90.7112.5177.4-49.8174.1000108.6V45 K46 V48 I61 L85 M89V45-I87 WeakPolarHBondContact CA-O 3.4Å; K46-I87 HydrophobicContact CB-CB 4.32Å; K46-I87 PolarHBondContact N-O 3.25Å; K46-I87 PolarHBondContact O-N 3Å; V48-I87 HydrophobicContact CG2-CD1 4.2Å; I61-I87 HydrophobicContact CD1-CD1 3.79Å; I61-I87 HydrophobicContact CD1-CG1 3.79Å; I61-I87 HydrophobicContact CG1-CD1 3.98Å; I61-I87 HydrophobicContact CG1-CG1 4.29Å; L85-I87 HydrophobicContact CG-CG1 4.44Å; I87-M89 HydrophobicContact CG2-CG 3.9Å; I87-M89 HydrophobicContact CG2-SD 4.12Å
88C91.3Very high89.4Confident0 Ų030.6 Ų30.60%017%0.171CC..EExtended strand (participates in β ladder)trans-88.4125.2179.8-173.90000110.5L4 Y76 G77L4-C88 HydrophobicContact CD1-CB 4.14Å; Y76-C88 PolarHBondContact N-O 3.39Å; G77-C88 PolarHBondContact O-N 2.98Å
89M92.2Very high89.8Confident19 Ų1931.3 Ų31.39%0.09417%0.172CC..EExtended strand (participates in β ladder)trans-139161.4-169.1-55.3179.9-61.800112.2A44 K46 M64 V73 K74 I87 Y91A44-M89 HydrophobicContact CB-CE 4.49Å; A44-M89 PolarHBondContact N-O 3Å; A44-M89 PolarHBondContact O-N 3.29Å; K46-M89 HydrophobicContact CB-CE 3.72Å; K46-M89 HydrophobicContact CD-CE 4.44Å; M64-M89 HydrophobicContact CE-SD 4.44Å; V73-M89 HydrophobicContact CG1-CB 4.35Å; K74-M89 CarbonylContact O-C 3.52Å; K74-M89 VanDerWaalsContact O-CA 3.3Å; K74-M89 WeakPolarHBondContact O-CA 3.37Å; I87-M89 HydrophobicContact CG2-CG 3.9Å; I87-M89 HydrophobicContact CG2-SD 4.12Å; M89-Y91 PolarHBondContact O-N 3.26Å
90E93.8Very high90.3Very high30 Ų3031.3 Ų31.314%0.1417%0.172CC..EExtended strand (participates in β ladder)trans-55.9133.1169.3179.2175.6-155.600111.1V73 K74 Y76 K151V73-E90 HydrophobicContact CG1-CB 4.06Å; K74-E90 HydrophobicContact CB-CB 4.15Å; K74-E90 PolarHBondContact N-OE2 3.23Å; K74-E90 PolarHBondContact O-N 2.71Å; Y76-E90 HydrophobicContact CE2-CB 4.28Å; E90-K151 VanDerWaalsContact CD-NZ 3.33Å; E90-K151 WeakPolarHBondContact OE1-CE 3.44Å; E90-K151 IonicContact OE1-NZ 3.78Å; E90-K151 PolarHBondContact OE1-NZ 2.89Å; E90-K151 VanDerWaalsContact OE1-NZ 3.07Å; E90-K151 WeakPolarHBondContact OE2-CE 3.39Å; E90-K151 IonicContact OE2-NZ 2.75Å; E90-K151 PolarHBondContact OE2-NZ 3Å
91Y95.2Very high90.9Very high56 Ų5628.3 Ų28.322%0.2216%0.159CC..  trans-88.2117178.6176.4-107.3000111.1L23 K33 I42 A44 M89L23-Y91 HydrophobicContact CD1-CD2 4.09Å; L23-Y91 HydrophobicContact CD1-CE2 3.73Å; L23-Y91 HydrophobicContact CD2-CE2 4.2Å; K33-Y91 HydrophobicContact CD-CE2 4.33Å; K33-Y91 HydrophobicContact CG-CD2 4.46Å; K33-Y91 HydrophobicContact CG-CE2 4.09Å; I42-Y91 HydrophobicContact CG2-CD1 3.66Å; I42-Y91 HydrophobicContact CG2-CD2 4.35Å; I42-Y91 HydrophobicContact CG2-CE1 4.14Å; I42-Y91 HydrophobicContact CG2-CG 3.78Å; A44-Y91 HydrophobicContact CB-CD2 4.37Å; M89-Y91 PolarHBondContact O-N 3.26Å
92C95.4Very high91.6Very high11 Ų1134 Ų347%0.07418%0.178CC..  trans-100.591.5175-59.60000110.4A94 G95 L143 L144 L145C92-A94 VanDerWaalsContact C-N 3.3Å; C92-A94 PolarHBondContact O-N 2.97Å; C92-G95 PolarHBondContact O-N 2.85Å; C92-L143 HydrophobicContact CB-CB 3.62Å; C92-L143 HydrophobicContact CB-CD1 3.95Å; C92-L143 HydrophobicContact CB-CG 4.42Å; C92-L144 CarbonylContact C-O 3.47Å; C92-L144 WeakPolarHBondContact CB-O 2.89Å; C92-L145 HydrophobicContact CB-CD2 4.34Å
93G92.1Very high92.7Very high7 Ų729.7 Ų29.77%0.07215%0.146CC..THydrogen-bonded Turntrans-64.3-24.5-165.700000116.9G95 N146 R288G93-G95 VanDerWaalsContact C-N 3.31Å; G93-N146 WeakPolarHBondContact CA-OD1 3.43Å; G93-R288 PolarHBondContact O-NH1 3.49Å
94A94Very high93.3Very high0 Ų024.9 Ų24.90%012%0.121CC..THydrogen-bonded Turntrans-76.8-19.5176.800000112.6C92 L144 N146 I281 R288C92-A94 VanDerWaalsContact C-N 3.3Å; C92-A94 PolarHBondContact O-N 2.97Å; A94-L144 HydrophobicContact CB-CB 3.79Å; A94-L144 WeakPolarHBondContact CB-O 3.42Å; A94-L144 PolarHBondContact N-O 3.13Å; A94-N146 PolarHBondContact N-OD1 3.09Å; A94-I281 HydrophobicContact CB-CB 4.47Å; A94-I281 HydrophobicContact CB-CD1 4.11Å; A94-I281 HydrophobicContact CB-CG1 3.89Å; A94-I281 HydrophobicContact CB-CG2 3.87Å; A94-R288 PolarHBondContact O-NH2 3.19Å
95G94.2Very high93.8Very high16 Ų1626.7 Ų26.717%0.16515%0.148CC..EExtended strand (participates in β ladder)trans84.8-162.6-176.800000112.9C92 G93 L143 L144C92-G95 PolarHBondContact O-N 2.85Å; G93-G95 VanDerWaalsContact C-N 3.31Å; G95-L143 WeakPolarHBondContact O-CA 3.48Å; G95-L144 PolarHBondContact O-N 2.69Å
96S96.3Very high94.3Very high4 Ų430.9 Ų30.93%0.02817%0.166CC..EExtended strand (participates in β ladder)trans-82.7159.9-180720000112.8A98 D99 I100 G140 I142S96-A98 PolarHBondContact O-N 3.21Å; S96-D99 WeakPolarHBondContact CB-OD2 3.38Å; S96-D99 PolarHBondContact N-OD2 3.25Å; S96-D99 WeakPolarHBondContact O-CB 3.42Å; S96-D99 PolarHBondContact O-N 2.93Å; S96-D99 VanDerWaalsContact O-N 3.12Å; S96-D99 PolarHBondContact OG-N 3.07Å; S96-D99 PolarHBondContact OG-OD2 2.75Å; S96-I100 WeakPolarHBondContact O-CG1 3.29Å; S96-I100 PolarHBondContact O-N 3.3Å; S96-G140 VanDerWaalsContact CB-O 3.25Å; S96-G140 WeakPolarHBondContact CB-O 3.25Å; S96-I142 CarbonylContact C-O 3.45Å; S96-I142 VanDerWaalsContact CA-O 3.31Å; S96-I142 WeakPolarHBondContact CA-O 3.35Å
97I98.1Very high94.7Very high2 Ų232 Ų321%0.0118%0.179CC..Hα-helixtrans-59.3-38.1171.8-62.6-65.3000111.1D99 I100 M101 I108 V116 A139 I142 L144 M204I97-D99 VanDerWaalsContact C-N 3.34Å; I97-D99 PolarHBondContact O-N 3.13Å; I97-I100 PolarHBondContact O-N 3.25Å; I97-M101 HydrophobicContact CG2-CE 4.25Å; I97-M101 WeakPolarHBondContact O-CG 3.1Å; I97-M101 PolarHBondContact O-N 2.68Å; I97-I108 HydrophobicContact CG2-CD1 4.24Å; I97-V116 HydrophobicContact CD1-CG1 4.22Å; I97-V116 HydrophobicContact CD1-CG2 3.76Å; I97-V116 HydrophobicContact CG1-CG1 4.05Å; I97-V116 HydrophobicContact CG1-CG2 4.48Å; I97-A139 HydrophobicContact CB-CB 4.13Å; I97-A139 HydrophobicContact CG2-CB 4.12Å; I97-A139 PolarHBondContact N-O 2.88Å; I97-I142 HydrophobicContact CG1-CB 4.16Å; I97-I142 HydrophobicContact CG1-CG2 4.01Å; I97-I142 PolarHBondContact N-O 2.91Å; I97-L144 HydrophobicContact CD1-CD1 3.72Å; I97-L144 HydrophobicContact CD1-CD2 3.98Å; I97-L144 HydrophobicContact CD1-CG 3.75Å; I97-M204 HydrophobicContact CG2-CG 3.86Å; I97-M204 HydrophobicContact CG2-SD 3.86Å
98A96.4Very high95.2Very high29 Ų2932.1 Ų32.124%0.2418%0.179CC..Hα-helixtrans-61.2-41.6174.400000112.1S96 M101 R102 A139S96-A98 PolarHBondContact O-N 3.21Å; A98-M101 PolarHBondContact O-N 3.37Å; A98-R102 VanDerWaalsContact O-CB 3.32Å; A98-R102 WeakPolarHBondContact O-CB 3.4Å; A98-R102 PolarHBondContact O-N 2.97Å; A98-A139 HydrophobicContact CB-CB 4.15Å; A98-A139 PolarHBondContact N-O 3.49Å
99D94.5Very high95.5Very high48 Ų4833.6 Ų33.626%0.25719%0.194SC..Hα-helixtrans-63.9-42.1175.7-67.3-46.8000112.1S96 I97 R102 L103S96-D99 WeakPolarHBondContact CB-OD2 3.38Å; S96-D99 PolarHBondContact N-OD2 3.25Å; S96-D99 WeakPolarHBondContact O-CB 3.42Å; S96-D99 PolarHBondContact O-N 2.93Å; S96-D99 VanDerWaalsContact O-N 3.12Å; S96-D99 PolarHBondContact OG-N 3.07Å; S96-D99 PolarHBondContact OG-OD2 2.75Å; I97-D99 VanDerWaalsContact C-N 3.34Å; I97-D99 PolarHBondContact O-N 3.13Å; D99-R102 PolarHBondContact O-N 2.88Å; D99-R102 IonicContact OD1-CZ 2.66Å; D99-R102 IonicContact OD1-NE 2.89Å; D99-R102 IonicContact OD1-NH2 2.71Å; D99-R102 PolarHBondContact OD1-NH2 3.46Å; D99-L103 WeakPolarHBondContact O-CB 3.4Å; D99-L103 VanDerWaalsContact O-CG 3.28Å; D99-L103 WeakPolarHBondContact O-CG 3.26Å; D99-L103 PolarHBondContact O-N 3.21Å
100I96.7Very high95.8Very high2 Ų235.1 Ų35.11%0.0120%0.201CC..Hα-helixtrans-61.9-47.3178-70.3170.3000110.4S96 I97 R102 L103 R104 L144 L280 I281 A284S96-I100 WeakPolarHBondContact O-CG1 3.29Å; S96-I100 PolarHBondContact O-N 3.3Å; I97-I100 PolarHBondContact O-N 3.25Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.36Å; I100-L103 PolarHBondContact O-N 3.26Å; I100-R104 WeakPolarHBondContact O-CB 3.09Å; I100-R104 WeakPolarHBondContact O-CD 3.39Å; I100-R104 VanDerWaalsContact O-CG 3.23Å; I100-R104 WeakPolarHBondContact O-CG 3.37Å; I100-R104 PolarHBondContact O-N 2.84Å; I100-L144 HydrophobicContact CD1-CD1 3.57Å; I100-L144 HydrophobicContact CD1-CG 4.18Å; I100-L280 HydrophobicContact CG2-CB 4.06Å; I100-I281 HydrophobicContact CD1-CG1 4.5Å; I100-A284 HydrophobicContact CB-CB 4.43Å; I100-A284 HydrophobicContact CG1-CB 4.13Å; I100-A284 HydrophobicContact CG2-CB 4.27Å
101M97.7Very high96Very high14 Ų1438.7 Ų38.77%0.06922%0.218CC..Hα-helixtrans-60.5-43.5176.1-71-169.9-63.600111.7I97 A98 G105 K106 I108 A139 E203 M204I97-M101 HydrophobicContact CG2-CE 4.25Å; I97-M101 WeakPolarHBondContact O-CG 3.1Å; I97-M101 PolarHBondContact O-N 2.68Å; A98-M101 PolarHBondContact O-N 3.37Å; M101-G105 WeakPolarHBondContact O-CA 3.4Å; M101-G105 PolarHBondContact O-N 2.81Å; M101-K106 WeakPolarHBondContact CA-O 3.45Å; M101-K106 WeakPolarHBondContact CB-O 3.26Å; M101-K106 PolarHBondContact O-N 3.18Å; M101-I108 HydrophobicContact CG-CG2 4.08Å; M101-I108 HydrophobicContact SD-CG1 4.49Å; M101-A139 HydrophobicContact CE-CB 4.12Å; M101-E203 HydrophobicContact CE-CG 4.44Å; M101-M204 HydrophobicContact CE-CG 4.49Å
102R95.4Very high96.2Very high163 Ų16337.6 Ų37.662%0.61522%0.215SC*.Hα-helixtrans-65.8-41.4178.5179.3176.962.1155.9-2113.4A98 D99 I100 R291A98-R102 VanDerWaalsContact O-CB 3.32Å; A98-R102 WeakPolarHBondContact O-CB 3.4Å; A98-R102 PolarHBondContact O-N 2.97Å; D99-R102 PolarHBondContact O-N 2.88Å; D99-R102 IonicContact OD1-CZ 2.66Å; D99-R102 IonicContact OD1-NE 2.89Å; D99-R102 IonicContact OD1-NH2 2.71Å; D99-R102 PolarHBondContact OD1-NH2 3.46Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.36Å; R102-R291 PolarHBondContact O-NH2 2.96Å
103L94.6Very high96.3Very high22 Ų2237.1 Ų37.112%0.11521%0.212CC..Hα-helixtrans-68.1-40.1178.9-76.9167.4000111.1D99 I100 A284 A287 R288D99-L103 WeakPolarHBondContact O-CB 3.4Å; D99-L103 VanDerWaalsContact O-CG 3.28Å; D99-L103 WeakPolarHBondContact O-CG 3.26Å; D99-L103 PolarHBondContact O-N 3.21Å; I100-L103 PolarHBondContact O-N 3.26Å; L103-A284 HydrophobicContact CB-CB 4.23Å; L103-A284 HydrophobicContact CD1-CB 4.2Å; L103-A287 HydrophobicContact CB-CB 4.25Å; L103-A287 WeakPolarHBondContact O-CB 3.11Å; L103-R288 HydrophobicContact CD2-CB 4.36Å
104R95.4Very high96.6Very high39 Ų3937 Ų3715%0.14721%0.21CC..Hα-helixtrans-79.8-20.7178.7-64.1168.269-144.19.6113.4I100 K106 L280 E283 A284I100-R104 WeakPolarHBondContact O-CB 3.09Å; I100-R104 WeakPolarHBondContact O-CD 3.39Å; I100-R104 VanDerWaalsContact O-CG 3.23Å; I100-R104 WeakPolarHBondContact O-CG 3.37Å; I100-R104 PolarHBondContact O-N 2.84Å; R104-K106 VanDerWaalsContact C-N 3.27Å; R104-K106 HydrophobicContact CB-CG 3.8Å; R104-K106 PolarHBondContact O-N 3.2Å; R104-L280 VanDerWaalsContact NH1-CD2 3.34Å; R104-E283 HydrophobicContact CG-CB 4.07Å; R104-E283 IonicContact CZ-OE2 2.75Å; R104-E283 IonicContact NE-OE2 3.93Å; R104-E283 PolarHBondContact NE-OE2 2.95Å; R104-E283 IonicContact NH2-OE2 3.29Å; R104-E283 PolarHBondContact NH2-OE2 3.3Å; R104-A284 HydrophobicContact CG-CB 4.28Å
105G95.3Very high96.8Very high72 Ų7237 Ų3774%0.74221%0.21SC*.THydrogen-bonded Turntrans69.121.9-174.100000113.8M101M101-G105 WeakPolarHBondContact O-CA 3.4Å; M101-G105 PolarHBondContact O-N 2.81Å
106K95.3Very high97.1Very high95 Ų9536.3 Ų36.341%0.41320%0.203SC..SBendtrans-144.5146.6-178.453.2172.4161.7166.10112.7M101 R104 E283M101-K106 WeakPolarHBondContact CA-O 3.45Å; M101-K106 WeakPolarHBondContact CB-O 3.26Å; M101-K106 PolarHBondContact O-N 3.18Å; R104-K106 VanDerWaalsContact C-N 3.27Å; R104-K106 HydrophobicContact CB-CG 3.8Å; R104-K106 PolarHBondContact O-N 3.2Å; K106-E283 WeakPolarHBondContact CE-OE2 3.33Å; K106-E283 IonicContact NZ-OE1 2.73Å; K106-E283 IonicContact NZ-OE2 3.44Å; K106-E283 PolarHBondContact NZ-OE2 3.18Å
107A97.5Very high97.2Very high39 Ų3936.1 Ų36.132%0.32220%0.201SC..PPolyproline II helixtrans-62.2165.7164.800000111.2M204 A205A107-M204 WeakPolarHBondContact CB-O 3.45Å; A107-A205 WeakPolarHBondContact CB-O 3.28Å
108I97.8Very high97.2Very high6 Ų639 Ų393%0.03122%0.215CC..PPolyproline II helixtrans-102.1155.5-178.456.8161.7000112.1I97 M101 E112 I113 M204 L280I97-I108 HydrophobicContact CG2-CD1 4.24Å; M101-I108 HydrophobicContact CG-CG2 4.08Å; M101-I108 HydrophobicContact SD-CG1 4.49Å; I108-E112 WeakPolarHBondContact CA-OE2 3.28Å; I108-E112 HydrophobicContact CB-CB 4.33Å; I108-E112 VanDerWaalsContact CB-OE2 3.24Å; I108-E112 WeakPolarHBondContact CB-OE2 3.35Å; I108-E112 HydrophobicContact CD1-CB 4.4Å; I108-I113 HydrophobicContact CD1-CG1 3.6Å; I108-I113 HydrophobicContact CG1-CD1 4.21Å; I108-I113 HydrophobicContact CG1-CG1 3.62Å; I108-M204 HydrophobicContact CD1-CB 3.89Å; I108-M204 HydrophobicContact CD1-CG 4.04Å; I108-M204 HydrophobicContact CD1-SD 3.8Å; I108-M204 HydrophobicContact CG1-CB 3.73Å; I108-M204 HydrophobicContact CG1-CG 4.32Å; I108-M204 PolarHBondContact N-O 3.38Å; I108-M204 VanDerWaalsContact N-O 3.08Å; I108-L280 HydrophobicContact CG2-CD1 3.91Å
109G97.6Very high97.3Very high31 Ų3139.1 Ų39.132%0.3221%0.209SC..PPolyproline II helixtrans-77.4164.6-176.500000113.6E111 E112 I113G109-E111 PolarHBondContact O-N 2.94Å; G109-E112 PolarHBondContact N-OE2 3.45Å; G109-E112 WeakPolarHBondContact O-CB 3.47Å; G109-E112 PolarHBondContact O-N 2.49Å; G109-I113 VanDerWaalsContact O-CG1 3.27Å; G109-I113 WeakPolarHBondContact O-CG1 3.45Å; G109-I113 PolarHBondContact O-N 2.98Å
110E98.3Very high97.5Very high51 Ų5136.9 Ų36.924%0.23820%0.198CC..Hα-helixtrans-61.9-41.4-174.4-168.4174.8138.800113.4I113 A114 W237 S238 F241 F267E110-I113 PolarHBondContact O-N 3.43Å; E110-A114 PolarHBondContact O-N 3.49Å; E110-W237 HydrophobicContact CB-CE3 3.95Å; E110-W237 HydrophobicContact CB-CZ3 3.84Å; E110-W237 HydrophobicContact CG-CE3 4.21Å; E110-W237 HydrophobicContact CG-CZ3 4.47Å; E110-S238 WeakPolarHBondContact OE1-CB 3.3Å; E110-S238 PolarHBondContact OE1-OG 2.99Å; E110-S238 PolarHBondContact OE2-N 3.3Å; E110-F241 HydrophobicContact CG-CB 4.23Å; E110-F241 HydrophobicContact CG-CD1 4.04Å; E110-F241 HydrophobicContact CG-CG 4.23Å; E110-F267 HydrophobicContact CG-CE2 3.67Å; E110-F267 HydrophobicContact CG-CZ 4.2Å
111E98.1Very high97.6Very high105 Ų10536.8 Ų36.849%0.49120%0.197SC..Hα-helixtrans-65.2-40.1177.3-62.6-168.8136.700111.8G109 A114 T115 K272 I276G109-E111 PolarHBondContact O-N 2.94Å; E111-A114 PolarHBondContact O-N 2.84Å; E111-T115 PolarHBondContact O-N 3.15Å; E111-T115 VanDerWaalsContact O-N 3.13Å; E111-T115 PolarHBondContact O-OG1 2.99Å; E111-K272 HydrophobicContact CB-CG 4.38Å; E111-K272 WeakPolarHBondContact OE1-CE 3.36Å; E111-K272 IonicContact OE1-NZ 2.82Å; E111-I276 HydrophobicContact CB-CD1 3.83Å
112E98.5Very high97.6Very high34 Ų3437.2 Ų37.216%0.15920%0.201CC..Hα-helixtrans-63.8-43.9176.3-60.8160.1-175.700110.4I108 G109 T115 V116 L277 L280I108-E112 WeakPolarHBondContact CA-OE2 3.28Å; I108-E112 HydrophobicContact CB-CB 4.33Å; I108-E112 VanDerWaalsContact CB-OE2 3.24Å; I108-E112 WeakPolarHBondContact CB-OE2 3.35Å; I108-E112 HydrophobicContact CD1-CB 4.4Å; G109-E112 PolarHBondContact N-OE2 3.45Å; G109-E112 WeakPolarHBondContact O-CB 3.47Å; G109-E112 PolarHBondContact O-N 2.49Å; E112-T115 PolarHBondContact O-N 3.32Å; E112-V116 WeakPolarHBondContact O-CG2 3.35Å; E112-V116 PolarHBondContact O-N 3.29Å; E112-L277 HydrophobicContact CB-CD2 3.82Å; E112-L277 HydrophobicContact CG-CD2 4.21Å; E112-L280 HydrophobicContact CB-CD1 4.03Å; E112-L280 HydrophobicContact CG-CD1 3.86Å; E112-L280 HydrophobicContact CG-CD2 4.35Å; E112-L280 HydrophobicContact CG-CG 4.44Å; E112-L280 WeakPolarHBondContact OE1-CD2 3.2Å; E112-L280 WeakPolarHBondContact OE2-CD1 3.46Å; E112-L280 WeakPolarHBondContact OE2-CD2 3.33Å
113I98.7Very high97.7Very high0 Ų029.5 Ų29.50%017%0.172CC..Hα-helixtrans-59.9-48175.3-70.6167.8000110.9I108 G109 E110 T115 V116 L117 M204 A205 W237 F241 F267I108-I113 HydrophobicContact CD1-CG1 3.6Å; I108-I113 HydrophobicContact CG1-CD1 4.21Å; I108-I113 HydrophobicContact CG1-CG1 3.62Å; G109-I113 VanDerWaalsContact O-CG1 3.27Å; G109-I113 WeakPolarHBondContact O-CG1 3.45Å; G109-I113 PolarHBondContact O-N 2.98Å; E110-I113 PolarHBondContact O-N 3.43Å; I113-T115 VanDerWaalsContact C-N 3.3Å; I113-T115 PolarHBondContact O-N 3.42Å; I113-V116 PolarHBondContact O-N 3.46Å; I113-L117 HydrophobicContact CG2-CD1 3.51Å; I113-L117 HydrophobicContact CG2-CG 4.08Å; I113-L117 WeakPolarHBondContact O-CB 3.48Å; I113-L117 VanDerWaalsContact O-CG 3.26Å; I113-L117 WeakPolarHBondContact O-CG 3.41Å; I113-L117 PolarHBondContact O-N 2.86Å; I113-M204 HydrophobicContact CD1-CB 4.08Å; I113-M204 HydrophobicContact CG1-CB 3.88Å; I113-M204 HydrophobicContact CG2-CE 3.99Å; I113-A205 HydrophobicContact CD1-CB 3.9Å; I113-W237 HydrophobicContact CD1-CH2 4.26Å; I113-W237 HydrophobicContact CD1-CZ3 4.16Å; I113-F241 HydrophobicContact CD1-CE1 4.28Å; I113-F241 HydrophobicContact CD1-CZ 4.07Å; I113-F241 HydrophobicContact CG2-CE2 3.82Å; I113-F241 HydrophobicContact CG2-CZ 3.84Å; I113-F267 HydrophobicContact CG2-CZ 4.23Å
114A98.7Very high97.8Very high5 Ų528.4 Ų28.44%0.04117%0.166CC..Hα-helixtrans-57.8-44.418000000111.5E110 E111 L117 H118 F267 A271E110-A114 PolarHBondContact O-N 3.49Å; E111-A114 PolarHBondContact O-N 2.84Å; A114-L117 PolarHBondContact O-N 2.84Å; A114-H118 WeakPolarHBondContact O-CB 2.93Å; A114-H118 PolarHBondContact O-N 3.26Å; A114-F267 HydrophobicContact CB-CE1 4.09Å; A114-F267 HydrophobicContact CB-CE2 3.97Å; A114-F267 HydrophobicContact CB-CZ 3.7Å; A114-A271 HydrophobicContact CB-CB 4.08Å
115T98.6Very high97.9Very high1 Ų128.3 Ų28.31%0.00617%0.169CC..Hα-helixtrans-63.7-46.9176.4-61.40000112E111 E112 I113 L117 H118 Y119 K272 C274 I276 L277E111-T115 PolarHBondContact O-N 3.15Å; E111-T115 VanDerWaalsContact O-N 3.13Å; E111-T115 PolarHBondContact O-OG1 2.99Å; E112-T115 PolarHBondContact O-N 3.32Å; I113-T115 VanDerWaalsContact C-N 3.3Å; I113-T115 PolarHBondContact O-N 3.42Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.09Å; T115-H118 WeakPolarHBondContact O-CB 3.41Å; T115-H118 PolarHBondContact O-N 2.94Å; T115-Y119 HydrophobicContact CG2-CE2 4.35Å; T115-Y119 WeakPolarHBondContact O-CD2 3.4Å; T115-Y119 PolarHBondContact O-N 3.45Å; T115-K272 WeakPolarHBondContact CG2-O 3.48Å; T115-K272 PolarHBondContact OG1-N 3.32Å; T115-K272 PolarHBondContact OG1-O 3.42Å; T115-C274 HydrophobicContact CG2-CB 4.4Å; T115-I276 HydrophobicContact CG2-CG2 4.37Å; T115-L277 HydrophobicContact CG2-CD1 3.9Å; T115-L277 HydrophobicContact CG2-CG 4.23Å
116V98.7Very high98Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-61.2-42.6177.2171.80000111.7I97 E112 I113 S120 I142 M204 L277I97-V116 HydrophobicContact CD1-CG1 4.22Å; I97-V116 HydrophobicContact CD1-CG2 3.76Å; I97-V116 HydrophobicContact CG1-CG1 4.05Å; I97-V116 HydrophobicContact CG1-CG2 4.48Å; E112-V116 WeakPolarHBondContact O-CG2 3.35Å; E112-V116 PolarHBondContact O-N 3.29Å; I113-V116 PolarHBondContact O-N 3.46Å; V116-S120 WeakPolarHBondContact O-CB 3.31Å; V116-S120 PolarHBondContact O-N 3Å; V116-S120 PolarHBondContact O-OG 3.32Å; V116-I142 HydrophobicContact CG1-CD1 4.44Å; V116-I142 HydrophobicContact CG1-CG2 3.92Å; V116-M204 HydrophobicContact CB-SD 4.39Å; V116-M204 HydrophobicContact CG1-CE 4.46Å; V116-M204 HydrophobicContact CG1-SD 3.87Å; V116-L277 HydrophobicContact CG2-CD1 3.92Å; V116-L277 HydrophobicContact CG2-CD2 4.11Å
117L98.8Very high97.9Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-69.4-33.1179.6-69.8176.1000112.5I113 A114 T115 S120 L121 L197 A201 M204 F244 F267 I268I113-L117 HydrophobicContact CG2-CD1 3.51Å; I113-L117 HydrophobicContact CG2-CG 4.08Å; I113-L117 WeakPolarHBondContact O-CB 3.48Å; I113-L117 VanDerWaalsContact O-CG 3.26Å; I113-L117 WeakPolarHBondContact O-CG 3.41Å; I113-L117 PolarHBondContact O-N 2.86Å; A114-L117 PolarHBondContact O-N 2.84Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 3.09Å; L117-S120 PolarHBondContact O-N 3.24Å; L117-L121 VanDerWaalsContact O-CB 3.32Å; L117-L121 WeakPolarHBondContact O-CB 3.48Å; L117-L121 VanDerWaalsContact O-CG 3.27Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.14Å; L117-L197 HydrophobicContact CD2-CD1 3.55Å; L117-L197 HydrophobicContact CD2-CD2 4.48Å; L117-L197 HydrophobicContact CD2-CG 3.89Å; L117-A201 HydrophobicContact CD1-CB 3.93Å; L117-M204 HydrophobicContact CD1-CE 4.37Å; L117-M204 HydrophobicContact CD2-CE 3.71Å; L117-M204 HydrophobicContact CG-CE 3.88Å; L117-F244 HydrophobicContact CD1-CD1 4.43Å; L117-F244 HydrophobicContact CD1-CE1 3.76Å; L117-F244 HydrophobicContact CD1-CZ 4.2Å; L117-F267 HydrophobicContact CD1-CE1 4.01Å; L117-I268 HydrophobicContact CB-CD1 3.82Å
118H98.7Very high97.7Very high64 Ų6422.5 Ų22.530%0.29612%0.115SC..Hα-helixtrans-56.8-54.8173.517888.6000111.3A114 T115 S120 L121 C122 I268 A271A114-H118 WeakPolarHBondContact O-CB 2.93Å; A114-H118 PolarHBondContact O-N 3.26Å; T115-H118 WeakPolarHBondContact O-CB 3.41Å; T115-H118 PolarHBondContact O-N 2.94Å; H118-S120 VanDerWaalsContact C-N 3.32Å; H118-S120 PolarHBondContact O-N 3.35Å; H118-L121 PolarHBondContact O-N 3.47Å; H118-C122 PolarHBondContact O-N 2.98Å; H118-C122 PolarHBondContact O-SG 2.99Å; H118-C122 VanDerWaalsContact O-SG 3.36Å; H118-I268 HydrophobicContact CB-CG2 4.08Å; H118-A271 HydrophobicContact CB-CB 4.18Å
119Y98.5Very high97.4Very high30 Ų3028.2 Ų28.212%0.11814%0.142CC..Hα-helixtrans-61.4-40.9177.6-80.9-103.8000112F71 T115 L121 C122 G123 A149 A150 C274F71-Y119 AromaticContact CD1-CD1 3.74Å; F71-Y119 HydrophobicContact CD1-CD1 3.74Å; F71-Y119 HydrophobicContact CD1-CE1 4.43Å; F71-Y119 HydrophobicContact CD1-CG 4.42Å; F71-Y119 AromaticContact CE1-CD1 3.83Å; F71-Y119 HydrophobicContact CE1-CD1 3.83Å; F71-Y119 HydrophobicContact CE1-CE1 4.14Å; T115-Y119 HydrophobicContact CG2-CE2 4.35Å; T115-Y119 WeakPolarHBondContact O-CD2 3.4Å; T115-Y119 PolarHBondContact O-N 3.45Å; Y119-L121 VanDerWaalsContact C-N 3.34Å; Y119-L121 PolarHBondContact O-N 3.37Å; Y119-C122 PolarHBondContact O-N 2.95Å; Y119-G123 PolarHBondContact O-N 3.36Å; Y119-A149 HydrophobicContact CE1-CB 3.9Å; Y119-A150 HydrophobicContact CD1-CB 4.48Å; Y119-A150 WeakPolarHBondContact CD1-O 3.46Å; Y119-A150 HydrophobicContact CG-CB 4.11Å; Y119-C274 HydrophobicContact CE2-CB 3.97Å; Y119-C274 WeakPolarHBondContact OH-CB 3.34Å
120S98.6Very high96.9Very high2 Ų230.1 Ų30.11%0.01414%0.143CC..Hα-helixtrans-62.4-41.2178-57.70000111.9V116 L117 H118 G123 L124V116-S120 WeakPolarHBondContact O-CB 3.31Å; V116-S120 PolarHBondContact O-N 3Å; V116-S120 PolarHBondContact O-OG 3.32Å; L117-S120 PolarHBondContact O-N 3.24Å; H118-S120 VanDerWaalsContact C-N 3.32Å; H118-S120 PolarHBondContact O-N 3.35Å; S120-G123 PolarHBondContact O-N 3.49Å; S120-L124 WeakPolarHBondContact O-CG 3.22Å; S120-L124 PolarHBondContact O-N 3.02Å
121L98.8Very high96.4Very high0 Ų035 Ų350%016%0.159CC..Hα-helixtrans-66.7-39.6175.9-78.5167.7000112.2L117 H118 Y119 G123 L124 D125 L197 F244 A259 L262 L263 I268L117-L121 VanDerWaalsContact O-CB 3.32Å; L117-L121 WeakPolarHBondContact O-CB 3.48Å; L117-L121 VanDerWaalsContact O-CG 3.27Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.14Å; H118-L121 PolarHBondContact O-N 3.47Å; Y119-L121 VanDerWaalsContact C-N 3.34Å; Y119-L121 PolarHBondContact O-N 3.37Å; L121-G123 VanDerWaalsContact C-N 3.31Å; L121-G123 PolarHBondContact O-N 2.97Å; L121-L124 PolarHBondContact O-N 3.01Å; L121-D125 WeakPolarHBondContact O-CB 3.41Å; L121-D125 PolarHBondContact O-N 3.49Å; L121-L197 HydrophobicContact CD2-CD2 3.44Å; L121-L197 VanDerWaalsContact CD2-CD2 3.44Å; L121-L197 HydrophobicContact CG-CD2 3.8Å; L121-F244 HydrophobicContact CD1-CE2 4.06Å; L121-F244 HydrophobicContact CD1-CZ 4.18Å; L121-A259 HydrophobicContact CD2-CB 4.11Å; L121-L262 HydrophobicContact CD1-CB 3.87Å; L121-L262 HydrophobicContact CD2-CB 3.75Å; L121-L262 HydrophobicContact CD2-CD1 3.83Å; L121-L262 HydrophobicContact CD2-CG 4.46Å; L121-L262 HydrophobicContact CG-CB 4.5Å; L121-L263 HydrophobicContact CB-CD2 3.59Å; L121-L263 HydrophobicContact CB-CG 3.92Å; L121-L263 HydrophobicContact CD1-CD2 4.3Å; L121-I268 HydrophobicContact CD1-CD1 3.9Å; L121-I268 HydrophobicContact CD1-CG1 3.78Å; L121-I268 HydrophobicContact CD1-CG2 4.2Å
122C98.4Very high95.8Very high23 Ų2331.5 Ų31.516%0.15514%0.142CC..Hα-helixtrans-60.5-41.1172.6-67.50000111.7F71 H118 Y119 Y126F71-C122 HydrophobicContact CB-CB 4.49Å; F71-C122 HydrophobicContact CD1-CB 3.8Å; F71-C122 HydrophobicContact CD2-CB 3.62Å; F71-C122 HydrophobicContact CE1-CB 3.86Å; F71-C122 HydrophobicContact CE2-CB 3.67Å; F71-C122 HydrophobicContact CG-CB 3.69Å; F71-C122 HydrophobicContact CZ-CB 3.79Å; H118-C122 PolarHBondContact O-N 2.98Å; H118-C122 PolarHBondContact O-SG 2.99Å; H118-C122 VanDerWaalsContact O-SG 3.36Å; Y119-C122 PolarHBondContact O-N 2.95Å; C122-Y126 WeakPolarHBondContact O-CB 3.35Å; C122-Y126 PolarHBondContact O-N 3.21Å; C122-Y126 VanDerWaalsContact O-N 3.14Å
123G97.1Very high95.2Very high0 Ų031.4 Ų31.40%014%0.142CC..Hα-helixtrans-64.4-44.3173.800000113.2Y119 S120 L121 Y126 L127Y119-G123 PolarHBondContact O-N 3.36Å; S120-G123 PolarHBondContact O-N 3.49Å; L121-G123 VanDerWaalsContact C-N 3.31Å; L121-G123 PolarHBondContact O-N 2.97Å; G123-Y126 PolarHBondContact O-N 2.82Å; G123-L127 WeakPolarHBondContact O-CG 3.02Å; G123-L127 PolarHBondContact O-N 2.81Å
124L97.3Very high94.7Very high0 Ų031.4 Ų31.40%014%0.143CC..Hα-helixtrans-65.7-43.6177.3-75.9177.3000112.3S120 L121 Y126 L127 H128 H134 I137 L152 D193 I194 L197 A259S120-L124 WeakPolarHBondContact O-CG 3.22Å; S120-L124 PolarHBondContact O-N 3.02Å; L121-L124 PolarHBondContact O-N 3.01Å; L124-Y126 VanDerWaalsContact C-N 3.32Å; L124-Y126 PolarHBondContact O-N 2.7Å; L124-L127 PolarHBondContact O-N 3.37Å; L124-H128 VanDerWaalsContact O-CB 3.29Å; L124-H128 WeakPolarHBondContact O-CB 3.47Å; L124-H128 PolarHBondContact O-CD2 3.48Å; L124-H128 VanDerWaalsContact O-CD2 3.3Å; L124-H128 PolarHBondContact O-N 3.49Å; L124-H134 HydrophobicContact CD2-CB 4.21Å; L124-I137 HydrophobicContact CD2-CD1 3.85Å; L124-I137 HydrophobicContact CD2-CG1 4.07Å; L124-I137 HydrophobicContact CG-CD1 4.43Å; L124-L152 HydrophobicContact CD2-CD1 4.11Å; L124-L152 HydrophobicContact CG-CD1 4.02Å; L124-D193 HydrophobicContact CD1-CB 4.35Å; L124-D193 HydrophobicContact CD2-CB 3.75Å; L124-I194 HydrophobicContact CD1-CD1 4.46Å; L124-L197 HydrophobicContact CD1-CB 4.47Å; L124-L197 HydrophobicContact CD1-CD1 4.32Å; L124-L197 HydrophobicContact CD1-CD2 4.23Å; L124-A259 HydrophobicContact CB-CB 4.09Å
125D97.5Very high94.2Very high36 Ų3634.9 Ų34.919%0.19316%0.155CC..Hα-helixtrans-58.8-45.3177.2-174.742.1000111L121 L127 H128 Q129 A259 L263L121-D125 WeakPolarHBondContact O-CB 3.41Å; L121-D125 PolarHBondContact O-N 3.49Å; D125-L127 PolarHBondContact O-N 3.1Å; D125-H128 PolarHBondContact O-N 3.43Å; D125-Q129 WeakPolarHBondContact O-CB 3.46Å; D125-Q129 VanDerWaalsContact O-CG 3.25Å; D125-Q129 WeakPolarHBondContact O-CG 3.49Å; D125-Q129 PolarHBondContact O-N 3.2Å; D125-Q129 PolarHBondContact OD1-NE2 3.26Å; D125-Q129 PolarHBondContact OD2-NE2 3.32Å; D125-A259 HydrophobicContact CB-CB 3.88Å; D125-L263 HydrophobicContact CB-CD1 4.49Å
126Y95.5Very high93.7Very high55 Ų5536.4 Ų36.422%0.21616%0.163CC..Hα-helixtrans-55.8-52.1172.8171.5-99.3000112.6C67 D68 I72 C122 G123 L124 H128 Q129 M130C67-Y126 WeakPolarHBondContact CA-OH 3.33Å; C67-Y126 HydrophobicContact CB-CE1 4.05Å; D68-Y126 PolarHBondContact N-OH 3.07Å; D68-Y126 PolarHBondContact O-OH 3.2Å; I72-Y126 HydrophobicContact CG1-CD1 3.93Å; I72-Y126 HydrophobicContact CG1-CE1 4.23Å; C122-Y126 WeakPolarHBondContact O-CB 3.35Å; C122-Y126 PolarHBondContact O-N 3.21Å; C122-Y126 VanDerWaalsContact O-N 3.14Å; G123-Y126 PolarHBondContact O-N 2.82Å; L124-Y126 VanDerWaalsContact C-N 3.32Å; L124-Y126 PolarHBondContact O-N 2.7Å; Y126-H128 VanDerWaalsContact C-N 3.35Å; Y126-H128 PolarHBondContact O-N 2.69Å; Y126-Q129 PolarHBondContact O-N 3.36Å; Y126-M130 HydrophobicContact CD1-SD 4.32Å; Y126-M130 HydrophobicContact CE1-SD 3.54Å; Y126-M130 VanDerWaalsContact CE1-SD 3.54Å; Y126-M130 HydrophobicContact CE2-SD 3.88Å; Y126-M130 WeakPolarHBondContact O-CG 3.33Å; Y126-M130 PolarHBondContact O-N 3.25Å; Y126-M130 VanDerWaalsContact O-N 3.15Å; Y126-M130 PolarHBondContact OH-SD 3.18Å
127L93.1Very high93.5Very high0 Ų036.5 Ų36.50%016%0.163CC..Hα-helixtrans-61.9-43.4180-70.4175.1000111.7I72 G123 L124 D125 M130 R131 K132 H134 L152 F155I72-L127 HydrophobicContact CD1-CD1 3.88Å; I72-L127 HydrophobicContact CD1-CD2 4.29Å; I72-L127 HydrophobicContact CD1-CG 3.94Å; G123-L127 WeakPolarHBondContact O-CG 3.02Å; G123-L127 PolarHBondContact O-N 2.81Å; L124-L127 PolarHBondContact O-N 3.37Å; D125-L127 PolarHBondContact O-N 3.1Å; L127-M130 CarbonylContact O-C 3.59Å; L127-M130 WeakPolarHBondContact O-CA 3.37Å; L127-M130 WeakPolarHBondContact O-CB 3.39Å; L127-M130 PolarHBondContact O-N 2.7Å; L127-M130 VanDerWaalsContact O-N 3.15Å; L127-R131 PolarHBondContact O-N 3.5Å; L127-K132 CarbonylContact C-O 3.4Å; L127-K132 HydrophobicContact CB-CB 4.36Å; L127-K132 HydrophobicContact CD2-CB 4.3Å; L127-K132 HydrophobicContact CD2-CD 4.41Å; L127-K132 PolarHBondContact O-N 3.05Å; L127-H134 HydrophobicContact CD1-CB 4.23Å; L127-L152 HydrophobicContact CD1-CD1 4.36Å; L127-F155 HydrophobicContact CD1-CB 4.34Å; L127-F155 HydrophobicContact CD1-CD2 4.37Å; L127-F155 HydrophobicContact CD1-CG 4.38Å; L127-F155 HydrophobicContact CD2-CD2 3.86Å; L127-F155 HydrophobicContact CD2-CE2 3.89Å
128H93.2Very high93.3Very high29 Ų2939 Ų3913%0.13417%0.174CC..Hα-helixtrans-67.6-37.4-177.4-66.5179.8000111.7L124 D125 Y126 M130 R131 K132 C190 D193L124-H128 VanDerWaalsContact O-CB 3.29Å; L124-H128 WeakPolarHBondContact O-CB 3.47Å; L124-H128 PolarHBondContact O-CD2 3.48Å; L124-H128 VanDerWaalsContact O-CD2 3.3Å; L124-H128 PolarHBondContact O-N 3.49Å; D125-H128 PolarHBondContact O-N 3.43Å; Y126-H128 VanDerWaalsContact C-N 3.35Å; Y126-H128 PolarHBondContact O-N 2.69Å; H128-M130 VanDerWaalsContact C-N 3.3Å; H128-M130 PolarHBondContact O-N 3.26Å; H128-R131 WeakPolarHBondContact O-CA 3.43Å; H128-R131 PolarHBondContact O-N 3.39Å; H128-K132 PolarHBondContact CD2-O 3.1Å; H128-C190 HydrophobicContact CB-CB 4.19Å; H128-C190 PolarHBondContact CE1-O 2.9Å; H128-C190 PolarHBondContact NE2-O 2.82Å; H128-D193 IonicContact CD2-OD2 3.13Å; H128-D193 IonicContact CE1-OD2 2.9Å; H128-D193 IonicContact NE2-OD2 2.98Å; H128-D193 PolarHBondContact NE2-OD2 3.31Å
129Q92.4Very high93.2Very high127 Ų12735.9 Ų35.959%0.59316%0.16SC*.Hα-helixtrans-63.8-35.4172.1-72.9176.73300112.2D125 Y126 R131D125-Q129 WeakPolarHBondContact O-CB 3.46Å; D125-Q129 VanDerWaalsContact O-CG 3.25Å; D125-Q129 WeakPolarHBondContact O-CG 3.49Å; D125-Q129 PolarHBondContact O-N 3.2Å; D125-Q129 PolarHBondContact OD1-NE2 3.26Å; D125-Q129 PolarHBondContact OD2-NE2 3.32Å; Y126-Q129 PolarHBondContact O-N 3.36Å; Q129-R131 PolarHBondContact O-N 3.48Å
130M87.8Confident93Very high71 Ų7135.7 Ų35.735%0.3517%0.167SC..THydrogen-bonded Turntrans-75.63170.8-66.2-17277.900113.9Y126 L127 H128 K132Y126-M130 HydrophobicContact CD1-SD 4.32Å; Y126-M130 HydrophobicContact CE1-SD 3.54Å; Y126-M130 VanDerWaalsContact CE1-SD 3.54Å; Y126-M130 HydrophobicContact CE2-SD 3.88Å; Y126-M130 WeakPolarHBondContact O-CG 3.33Å; Y126-M130 PolarHBondContact O-N 3.25Å; Y126-M130 VanDerWaalsContact O-N 3.15Å; Y126-M130 PolarHBondContact OH-SD 3.18Å; L127-M130 CarbonylContact O-C 3.59Å; L127-M130 WeakPolarHBondContact O-CA 3.37Å; L127-M130 WeakPolarHBondContact O-CB 3.39Å; L127-M130 PolarHBondContact O-N 2.7Å; L127-M130 VanDerWaalsContact O-N 3.15Å; H128-M130 VanDerWaalsContact C-N 3.3Å; H128-M130 PolarHBondContact O-N 3.26Å; M130-K132 HydrophobicContact CB-CD 4.38Å; M130-K132 HydrophobicContact CB-CG 4.23Å; M130-K132 PolarHBondContact O-N 3.1Å
131R86.5Confident92.7Very high154 Ų15436.2 Ų36.258%0.58117%0.17SC*.THydrogen-bonded Turntrans60.328.9-175.7-52.1-179.2176.3-145-9.3113.5L127 H128 Q129L127-R131 PolarHBondContact O-N 3.5Å; H128-R131 WeakPolarHBondContact O-CA 3.43Å; H128-R131 PolarHBondContact O-N 3.39Å; Q129-R131 PolarHBondContact O-N 3.48Å
132K85.3Confident92.7Very high31 Ų3136.2 Ų36.214%0.13517%0.17CC..  trans-100.3150.5172.5-62.2-177.9-179.4-178.30109.4I63 C67 L127 H128 M130I63-K132 HydrophobicContact CG2-CD 3.81Å; I63-K132 PolarHBondContact O-NZ 2.94Å; C67-K132 PolarHBondContact SG-NZ 3.22Å; C67-K132 VanDerWaalsContact SG-NZ 3.35Å; L127-K132 CarbonylContact C-O 3.4Å; L127-K132 HydrophobicContact CB-CB 4.36Å; L127-K132 HydrophobicContact CD2-CB 4.3Å; L127-K132 HydrophobicContact CD2-CD 4.41Å; L127-K132 PolarHBondContact O-N 3.05Å; H128-K132 PolarHBondContact CD2-O 3.1Å; M130-K132 HydrophobicContact CB-CD 4.38Å; M130-K132 HydrophobicContact CB-CG 4.23Å; M130-K132 PolarHBondContact O-N 3.1Å
133I86Confident92.6Very high31 Ų3136.9 Ų36.916%0.15917%0.171CC..  trans-123.1133.1177.8-53.7173000106.4R135 Y188 D193I133-R135 HydrophobicContact CB-CG 4.14Å; I133-R135 HydrophobicContact CG2-CG 3.75Å; I133-Y188 HydrophobicContact CD1-CD2 3.68Å; I133-Y188 HydrophobicContact CD1-CE2 3.75Å; I133-Y188 HydrophobicContact CG2-CD2 4.28Å; I133-Y188 HydrophobicContact CG2-CE2 4.49Å; I133-D193 WeakPolarHBondContact CG2-OD2 3.24Å
134H89.5Confident92.6Very high1 Ų136.9 Ų36.91%0.00517%0.171CC..  trans-73.6-44.3-176.5-171.6-53.1000112.1L124 L127 D136 I137 A153 F155 G156 D193L124-H134 HydrophobicContact CD2-CB 4.21Å; L127-H134 HydrophobicContact CD1-CB 4.23Å; H134-D136 VanDerWaalsContact C-N 3.27Å; H134-D136 PolarHBondContact ND1-N 3.43Å; H134-D136 PolarHBondContact O-N 2.86Å; H134-I137 HydrophobicContact CB-CD1 3.9Å; H134-I137 HydrophobicContact CB-CG1 3.99Å; H134-I137 WeakPolarHBondContact CD2-CD1 3.35Å; H134-I137 VanDerWaalsContact CG-CD1 3.45Å; H134-A153 PolarHBondContact CE1-O 2.86Å; H134-A153 PolarHBondContact NE2-O 2.84Å; H134-F155 HydrophobicContact CB-CB 4.32Å; H134-F155 WeakPolarHBondContact CD2-CB 3.42Å; H134-F155 WeakPolarHBondContact NE2-CB 3.23Å; H134-G156 PolarHBondContact O-N 2.97Å; H134-D193 PolarHBondContact N-OD1 2.64Å; H134-D193 PolarHBondContact N-OD2 3.49Å
135R87.6Confident92.6Very high77 Ų7738.6 Ų38.629%0.29118%0.18SC..  trans71.7-4.8175.3-50.7177-173.3169.5-0.3117.6I133 Q160 Y188 D193I133-R135 HydrophobicContact CB-CG 4.14Å; I133-R135 HydrophobicContact CG2-CG 3.75Å; R135-Q160 VanDerWaalsContact NH1-CD 3.29Å; R135-Q160 VanDerWaalsContact NH1-CG 3.35Å; R135-Y188 HydrophobicContact CG-CE2 4.23Å; R135-Y188 PolarHBondContact NE-OH 3.09Å; R135-Y188 PolarHBondContact NH1-OH 3.06Å; R135-Y188 PolarHBondContact NH2-OH 3.35Å; R135-D193 PolarHBondContact N-OD1 3.28Å
136D87.4Confident92.4Very high34 Ų3441.8 Ų41.818%0.18220%0.197CC..  trans-146.647.1-177.5-165.325.5000110.9H134 K138 N141 A158H134-D136 VanDerWaalsContact C-N 3.27Å; H134-D136 PolarHBondContact ND1-N 3.43Å; H134-D136 PolarHBondContact O-N 2.86Å; D136-K138 PolarHBondContact O-N 2.89Å; D136-K138 WeakPolarHBondContact OD1-CE 3.32Å; D136-K138 IonicContact OD1-NZ 2.7Å; D136-K138 PolarHBondContact OD1-NZ 2.96Å; D136-K138 IonicContact OD2-NZ 3.53Å; D136-K138 PolarHBondContact OD2-NZ 3.43Å; D136-N141 PolarHBondContact O-ND2 3.28Å; D136-N141 PolarHBondContact OD2-ND2 3.33Å; D136-A158 HydrophobicContact CB-CB 4.17Å
137I94.5Very high92.4Very high1 Ų141.9 Ų41.91%0.00521%0.206CC..  trans-74.1121175.6-64.8-66.9000109.3L124 H134 L152 D193 L197L124-I137 HydrophobicContact CD2-CD1 3.85Å; L124-I137 HydrophobicContact CD2-CG1 4.07Å; L124-I137 HydrophobicContact CG-CD1 4.43Å; H134-I137 HydrophobicContact CB-CD1 3.9Å; H134-I137 HydrophobicContact CB-CG1 3.99Å; H134-I137 WeakPolarHBondContact CD2-CD1 3.35Å; H134-I137 VanDerWaalsContact CG-CD1 3.45Å; I137-L152 HydrophobicContact CD1-CD1 4.2Å; I137-L152 HydrophobicContact CD1-CD2 3.95Å; I137-D193 HydrophobicContact CG1-CB 4.25Å; I137-L197 HydrophobicContact CG2-CB 4.32Å; I137-L197 HydrophobicContact CG2-CD1 4.16Å
138K95.2Very high92.5Very high52 Ų5241.9 Ų41.923%0.22621%0.206CC..SBendtrans-162.6163.5176.660.7-168177.3-144.40109.7D136 G140 N141 W177 T200D136-K138 PolarHBondContact O-N 2.89Å; D136-K138 WeakPolarHBondContact OD1-CE 3.32Å; D136-K138 IonicContact OD1-NZ 2.7Å; D136-K138 PolarHBondContact OD1-NZ 2.96Å; D136-K138 IonicContact OD2-NZ 3.53Å; D136-K138 PolarHBondContact OD2-NZ 3.43Å; K138-G140 PolarHBondContact O-N 3.39Å; K138-G140 VanDerWaalsContact O-N 3.1Å; K138-N141 WeakPolarHBondContact CE-ND2 3.5Å; K138-N141 HydrophobicContact CG-CB 4.25Å; K138-N141 PolarHBondContact O-N 2.96Å; K138-W177 HydrophobicContact CB-CD2 3.94Å; K138-W177 HydrophobicContact CB-CG 4.08Å; K138-W177 HydrophobicContact CB-CZ2 4.07Å; K138-T200 WeakPolarHBondContact CA-OG1 3.44Å
139A97.1Very high92.7Very high0 Ų041.3 Ų41.30%021%0.207CC..G310 helixtrans-60-26.3-179.100000113.1I97 A98 M101 N141 T200 E203 M204I97-A139 HydrophobicContact CB-CB 4.13Å; I97-A139 HydrophobicContact CG2-CB 4.12Å; I97-A139 PolarHBondContact N-O 2.88Å; A98-A139 HydrophobicContact CB-CB 4.15Å; A98-A139 PolarHBondContact N-O 3.49Å; M101-A139 HydrophobicContact CE-CB 4.12Å; A139-N141 VanDerWaalsContact C-N 3.29Å; A139-N141 PolarHBondContact O-N 3.32Å; A139-T200 HydrophobicContact CB-CG2 4.26Å; A139-E203 HydrophobicContact CB-CG 4.16Å; A139-E203 WeakPolarHBondContact CB-OE1 3.37Å; A139-E203 WeakPolarHBondContact CB-OE2 3.47Å; A139-E203 PolarHBondContact N-OE2 3.24Å; A139-M204 HydrophobicContact CB-CG 4.33Å
140G93.5Very high93Very high26 Ų2635.3 Ų35.327%0.26818%0.179SC..G310 helixtrans-68.6-20.9174.800000115.1S96 K138S96-G140 VanDerWaalsContact CB-O 3.25Å; S96-G140 WeakPolarHBondContact CB-O 3.25Å; K138-G140 PolarHBondContact O-N 3.39Å; K138-G140 VanDerWaalsContact O-N 3.1Å
141N94.1Very high93.4Very high13 Ų1332.5 Ų32.57%0.0717%0.165CC..G310 helixtrans-108.110.6-179.3-69.8-3.4000112.7D136 K138 A139 A153D136-N141 PolarHBondContact O-ND2 3.28Å; D136-N141 PolarHBondContact OD2-ND2 3.33Å; K138-N141 WeakPolarHBondContact CE-ND2 3.5Å; K138-N141 HydrophobicContact CG-CB 4.25Å; K138-N141 PolarHBondContact O-N 2.96Å; A139-N141 VanDerWaalsContact C-N 3.29Å; A139-N141 PolarHBondContact O-N 3.32Å; N141-A153 PolarHBondContact O-N 3.48Å
142I97.4Very high93.9Very high0 Ų025.2 Ų25.20%014%0.137CC..EExtended strand (participates in β ladder)trans-107.4109170.9-57.9168.8000106.8S96 I97 V116 A150 L152 T200S96-I142 CarbonylContact C-O 3.45Å; S96-I142 VanDerWaalsContact CA-O 3.31Å; S96-I142 WeakPolarHBondContact CA-O 3.35Å; I97-I142 HydrophobicContact CG1-CB 4.16Å; I97-I142 HydrophobicContact CG1-CG2 4.01Å; I97-I142 PolarHBondContact N-O 2.91Å; V116-I142 HydrophobicContact CG1-CD1 4.44Å; V116-I142 HydrophobicContact CG1-CG2 3.92Å; I142-A150 HydrophobicContact CG2-CB 4.19Å; I142-L152 HydrophobicContact CG1-CD2 4.02Å; I142-T200 HydrophobicContact CD1-CG2 3.87Å
143L97.3Very high94.2Very high36 Ų3624 Ų2419%0.18813%0.133CC..EExtended strand (participates in β ladder)trans-100.8147.1-176.9-54-172.7000111.2V73 C92 G95 A150 K151 A153V73-L143 HydrophobicContact CG2-CD1 4.17Å; C92-L143 HydrophobicContact CB-CB 3.62Å; C92-L143 HydrophobicContact CB-CD1 3.95Å; C92-L143 HydrophobicContact CB-CG 4.42Å; G95-L143 WeakPolarHBondContact O-CA 3.48Å; L143-A150 CarbonylContact O-C 3.22Å; L143-A150 WeakPolarHBondContact O-CA 3.24Å; L143-K151 PolarHBondContact N-O 2.81Å; L143-K151 PolarHBondContact O-N 3.39Å; L143-A153 HydrophobicContact CD1-CB 3.63Å; L143-A153 HydrophobicContact CG-CB 3.7Å
144L97.5Very high93.8Very high0 Ų024.8 Ų24.80%014%0.137CC..EExtended strand (participates in β ladder)trans-106.1136.8173.4-63.2-169.6000111.3C92 A94 G95 I97 I100 A150 L277 I281C92-L144 CarbonylContact C-O 3.47Å; C92-L144 WeakPolarHBondContact CB-O 2.89Å; A94-L144 HydrophobicContact CB-CB 3.79Å; A94-L144 WeakPolarHBondContact CB-O 3.42Å; A94-L144 PolarHBondContact N-O 3.13Å; G95-L144 PolarHBondContact O-N 2.69Å; I97-L144 HydrophobicContact CD1-CD1 3.72Å; I97-L144 HydrophobicContact CD1-CD2 3.98Å; I97-L144 HydrophobicContact CD1-CG 3.75Å; I100-L144 HydrophobicContact CD1-CD1 3.57Å; I100-L144 HydrophobicContact CD1-CG 4.18Å; L144-A150 HydrophobicContact CD2-CB 3.41Å; L144-A150 VanDerWaalsContact CD2-CB 3.41Å; L144-L277 HydrophobicContact CD1-CB 4.47Å; L144-L277 HydrophobicContact CD1-CD1 4.37Å; L144-L277 HydrophobicContact CD2-CD1 4.29Å; L144-I281 HydrophobicContact CB-CD1 4.41Å; L144-I281 HydrophobicContact CD1-CD1 4.1Å; L144-I281 HydrophobicContact CD1-CG1 4.1Å
145L95.8Very high92.9Very high36 Ų3624.9 Ų24.919%0.18814%0.138CC..  trans-73.2162.9159.9-63-176.9000110C92 S147 G148 A149 K151C92-L145 HydrophobicContact CB-CD2 4.34Å; L145-S147 PolarHBondContact O-N 3.24Å; L145-S147 VanDerWaalsContact O-N 3.14Å; L145-G148 PolarHBondContact O-N 3.42Å; L145-A149 HydrophobicContact CD1-CB 4.3Å; L145-A149 PolarHBondContact N-O 3.32Å; L145-K151 HydrophobicContact CD1-CD 4.36Å; L145-K151 HydrophobicContact CD2-CD 4.23Å; L145-K151 HydrophobicContact CG-CD 4.18Å
146N94.1Very high91.6Very high103 Ų10321.9 Ų21.955%0.55113%0.131SC*.THydrogen-bonded Turntrans-61.9-21174.9-67.9-0000112.9G93 A94 G148 L278G93-N146 WeakPolarHBondContact CA-OD1 3.43Å; A94-N146 PolarHBondContact N-OD1 3.09Å; N146-G148 VanDerWaalsContact C-N 3.27Å; N146-G148 PolarHBondContact O-N 3.33Å; N146-L278 WeakPolarHBondContact O-CD2 3.38Å
147S95.1Very high89.9Confident57 Ų5720.5 Ų20.540%0.39912%0.124SC..THydrogen-bonded Turntrans-75.1-11.5174.2590000114.1L145L145-S147 PolarHBondContact O-N 3.24Å; L145-S147 VanDerWaalsContact O-N 3.14Å
148G95.9Very high87.7Confident0 Ų020.6 Ų20.60%013%0.125CC..SBendtrans94.1-11.7-172.700000114.4L145 N146 A150 L277L145-G148 PolarHBondContact O-N 3.42Å; N146-G148 VanDerWaalsContact C-N 3.27Å; N146-G148 PolarHBondContact O-N 3.33Å; G148-A150 PolarHBondContact O-N 3.37Å; G148-L277 WeakPolarHBondContact O-CD1 3.37Å
149A97.1Very high85.3Confident18 Ų1818.6 Ų18.615%0.14912%0.118CC..  trans-65.9130.917700000111.4Y119 L145Y119-A149 HydrophobicContact CE1-CB 3.9Å; L145-A149 HydrophobicContact CD1-CB 4.3Å; L145-A149 PolarHBondContact N-O 3.32Å
150A98Very high83Confident1 Ų121.6 Ų21.61%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-94.7147-179.300000112.5Y119 I142 L143 L144 G148Y119-A150 HydrophobicContact CD1-CB 4.48Å; Y119-A150 WeakPolarHBondContact CD1-O 3.46Å; Y119-A150 HydrophobicContact CG-CB 4.11Å; I142-A150 HydrophobicContact CG2-CB 4.19Å; L143-A150 CarbonylContact O-C 3.22Å; L143-A150 WeakPolarHBondContact O-CA 3.24Å; L144-A150 HydrophobicContact CD2-CB 3.41Å; L144-A150 VanDerWaalsContact CD2-CB 3.41Å; G148-A150 PolarHBondContact O-N 3.37Å
151K97.5Very high80.5Confident12 Ų1220.7 Ų20.75%0.05212%0.122CC..EExtended strand (participates in β ladder)trans-138.1140.9-179.9-72.7167.9173.5-88.30111P70 F71 V73 E90 L143 L145P70-K151 VanDerWaalsContact O-CE 3.3Å; P70-K151 WeakPolarHBondContact O-CE 3.37Å; P70-K151 WeakPolarHBondContact O-CG 3.27Å; P70-K151 PolarHBondContact O-NZ 3.19Å; F71-K151 WeakPolarHBondContact O-CA 3.45Å; V73-K151 HydrophobicContact CG2-CB 3.78Å; V73-K151 HydrophobicContact CG2-CD 4.43Å; E90-K151 VanDerWaalsContact CD-NZ 3.33Å; E90-K151 WeakPolarHBondContact OE1-CE 3.44Å; E90-K151 IonicContact OE1-NZ 3.78Å; E90-K151 PolarHBondContact OE1-NZ 2.89Å; E90-K151 VanDerWaalsContact OE1-NZ 3.07Å; E90-K151 WeakPolarHBondContact OE2-CE 3.39Å; E90-K151 IonicContact OE2-NZ 2.75Å; E90-K151 PolarHBondContact OE2-NZ 3Å; L143-K151 PolarHBondContact N-O 2.81Å; L143-K151 PolarHBondContact O-N 3.39Å; L145-K151 HydrophobicContact CD1-CD 4.36Å; L145-K151 HydrophobicContact CD2-CD 4.23Å; L145-K151 HydrophobicContact CG-CD 4.18Å
152L95.7Very high78.1Confident0 Ų022.3 Ų22.30%013%0.134CC..EExtended strand (participates in β ladder)trans-77.2132.5169.4-56.8179000110.1F71 I72 V73 L124 L127 I137 I142F71-L152 PolarHBondContact O-N 3.43Å; I72-L152 HydrophobicContact CD1-CB 3.86Å; I72-L152 HydrophobicContact CD1-CD1 4Å; I72-L152 HydrophobicContact CD1-CG 4.28Å; V73-L152 PolarHBondContact N-O 3.48Å; L124-L152 HydrophobicContact CD2-CD1 4.11Å; L124-L152 HydrophobicContact CG-CD1 4.02Å; L127-L152 HydrophobicContact CD1-CD1 4.36Å; I137-L152 HydrophobicContact CD1-CD1 4.2Å; I137-L152 HydrophobicContact CD1-CD2 3.95Å; I142-L152 HydrophobicContact CG1-CD2 4.02Å
153A90.9Very high75.6Confident7 Ų726.3 Ų26.36%0.05816%0.155CC..  trans-120.3166.2179.300000111.6V73 H134 N141 L143 F155V73-A153 HydrophobicContact CB-CB 4.39Å; V73-A153 HydrophobicContact CG2-CB 3.77Å; H134-A153 PolarHBondContact CE1-O 2.86Å; H134-A153 PolarHBondContact NE2-O 2.84Å; N141-A153 PolarHBondContact O-N 3.48Å; L143-A153 HydrophobicContact CD1-CB 3.63Å; L143-A153 HydrophobicContact CG-CB 3.7Å; A153-F155 PolarHBondContact O-N 3.03Å
154D79.2Confident72.9Confident46 Ų4625.3 Ų25.325%0.24615%0.151CC..SBendtrans54.723.5174.6-73.3-33.7000115.2K46K46-D154 IonicContact NZ-OD1 2.69Å; K46-D154 PolarHBondContact NZ-OD1 2.7Å; K46-D154 IonicContact NZ-OD2 3.07Å
155F70.8Confident69.9Low3 Ų328 Ų281%0.01317%0.165CC..THydrogen-bonded Turntrans-70141.3175.774.8-82.4000111.2M64 C67 I72 L127 H134 A153 V157M64-F155 HydrophobicContact CB-CZ 4.12Å; M64-F155 HydrophobicContact CE-CE1 4.29Å; M64-F155 HydrophobicContact CG-CE1 4.16Å; M64-F155 HydrophobicContact CG-CE2 4.27Å; M64-F155 HydrophobicContact CG-CZ 3.93Å; C67-F155 HydrophobicContact CB-CE2 4.31Å; C67-F155 HydrophobicContact CB-CZ 3.72Å; C67-F155 VanDerWaalsContact SG-CE2 3.53Å; C67-F155 VanDerWaalsContact SG-CZ 3.59Å; I72-F155 HydrophobicContact CG2-CD1 3.7Å; I72-F155 HydrophobicContact CG2-CE1 3.08Å; I72-F155 HydrophobicContact CG2-CZ 3.64Å; L127-F155 HydrophobicContact CD1-CB 4.34Å; L127-F155 HydrophobicContact CD1-CD2 4.37Å; L127-F155 HydrophobicContact CD1-CG 4.38Å; L127-F155 HydrophobicContact CD2-CD2 3.86Å; L127-F155 HydrophobicContact CD2-CE2 3.89Å; H134-F155 HydrophobicContact CB-CB 4.32Å; H134-F155 WeakPolarHBondContact CD2-CB 3.42Å; H134-F155 WeakPolarHBondContact NE2-CB 3.23Å; A153-F155 PolarHBondContact O-N 3.03Å; F155-V157 PolarHBondContact O-N 3.46Å
156G59.3Low67.4Low14 Ų1428.3 Ų28.314%0.14417%0.172CC..THydrogen-bonded Turntrans78.7-30.2173.800000115.4E60 H134E60-G156 VanDerWaalsContact OE1-O 3.12Å; H134-G156 PolarHBondContact O-N 2.97Å
157V52.1Low64.8Low6 Ų627.3 Ų27.34%0.03616%0.163CC..Hα-helixtrans-82.2-47.5-177.3-167.80000111.5E60 M64 F155 G159 L161E60-V157 HydrophobicContact CB-CG2 4.24Å; E60-V157 VanDerWaalsContact OE2-CA 3.25Å; E60-V157 WeakPolarHBondContact OE2-CA 3.46Å; E60-V157 WeakPolarHBondContact OE2-CG1 3.47Å; M64-V157 HydrophobicContact CG-CG2 4.12Å; M64-V157 HydrophobicContact SD-CG2 3.26Å; M64-V157 WeakPolarHBondContact SD-CG2 3.32Å; F155-V157 PolarHBondContact O-N 3.46Å; V157-G159 PolarHBondContact O-N 3.49Å; V157-L161 HydrophobicContact CB-CD1 4.41Å; V157-L161 HydrophobicContact CG1-CD1 3.3Å; V157-L161 VanDerWaalsContact O-CB 3.3Å; V157-L161 WeakPolarHBondContact O-CB 3.41Å; V157-L161 VanDerWaalsContact O-CD1 3.29Å; V157-L161 WeakPolarHBondContact O-CD1 3.34Å; V157-L161 PolarHBondContact O-N 3.3Å
158A47.2Very low62.3Low3 Ų330.6 Ų30.63%0.02517%0.167CC..Hα-helixtrans-69.7-37.5-171.500000113.9Y28 D136 S162Y28-A158 HydrophobicContact CE2-CB 3.72Å; Y28-A158 WeakPolarHBondContact OH-CA 3.45Å; Y28-A158 PolarHBondContact OH-O 2.84Å; D136-A158 HydrophobicContact CB-CB 4.17Å; A158-S162 WeakPolarHBondContact O-CB 3.46Å; A158-S162 PolarHBondContact O-N 3.46Å; A158-S162 PolarHBondContact O-OG 3.3Å; A158-S162 VanDerWaalsContact O-OG 3.09Å
159G46.8Very low59.4Low9 Ų938 Ų389%0.09321%0.206CC..Hα-helixtrans-67.4-46.2-173.100000113.2V157 S162 D163V157-G159 PolarHBondContact O-N 3.49Å; G159-S162 PolarHBondContact O-OG 3.47Å; G159-D163 PolarHBondContact O-N 2.69Å; G159-D163 VanDerWaalsContact O-N 3.08Å
160Q47.4Very low56.8Low64 Ų6441 Ų4130%0.29922%0.223SC..Hα-helixtrans-83-34.9-176.9-109.2163.730.700112.7E60 R135 S162 D163 T164E60-Q160 WeakPolarHBondContact OE1-CB 3.49Å; R135-Q160 VanDerWaalsContact NH1-CD 3.29Å; R135-Q160 VanDerWaalsContact NH1-CG 3.35Å; Q160-S162 VanDerWaalsContact C-N 3.3Å; Q160-S162 PolarHBondContact O-N 2.98Å; Q160-D163 CarbonylContact O-C 3.54Å; Q160-D163 WeakPolarHBondContact O-CB 3.36Å; Q160-D163 PolarHBondContact O-N 3.08Å; Q160-D163 VanDerWaalsContact O-N 3.15Å; Q160-T164 PolarHBondContact O-N 2.8Å; Q160-T164 PolarHBondContact O-OG1 2.92Å
161L40.7Very low54.2Low7 Ų746.7 Ų46.74%0.03726%0.258CS..Hα-helixtrans-63.2-37.3167.9-82.2152.9000112Y28 I57 E60 V157 D163 T164 L165Y28-L161 HydrophobicContact CD1-CB 4.14Å; Y28-L161 HydrophobicContact CD1-CD1 4.41Å; Y28-L161 HydrophobicContact CE1-CB 3.67Å; I57-L161 HydrophobicContact CD1-CD2 4.03Å; I57-L161 HydrophobicContact CG1-CD1 4.17Å; I57-L161 HydrophobicContact CG1-CD2 3.75Å; I57-L161 HydrophobicContact CG1-CG 4.35Å; E60-L161 WeakPolarHBondContact OE2-CD1 3.41Å; V157-L161 HydrophobicContact CB-CD1 4.41Å; V157-L161 HydrophobicContact CG1-CD1 3.3Å; V157-L161 VanDerWaalsContact O-CB 3.3Å; V157-L161 WeakPolarHBondContact O-CB 3.41Å; V157-L161 VanDerWaalsContact O-CD1 3.29Å; V157-L161 WeakPolarHBondContact O-CD1 3.34Å; V157-L161 PolarHBondContact O-N 3.3Å; L161-D163 VanDerWaalsContact C-N 3.32Å; L161-T164 PolarHBondContact O-N 2.98Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.39Å
162S43.4Very low52.1Low47 Ų4750 Ų5033%0.32928%0.275SS..Hα-helixtrans-64.8-37.817275.90000111.5A158 G159 Q160 A166A158-S162 WeakPolarHBondContact O-CB 3.46Å; A158-S162 PolarHBondContact O-N 3.46Å; A158-S162 PolarHBondContact O-OG 3.3Å; A158-S162 VanDerWaalsContact O-OG 3.09Å; G159-S162 PolarHBondContact O-OG 3.47Å; Q160-S162 VanDerWaalsContact C-N 3.3Å; Q160-S162 PolarHBondContact O-N 2.98Å; S162-A166 WeakPolarHBondContact O-CA 3.4Å; S162-A166 WeakPolarHBondContact O-CB 3.26Å; S162-A166 PolarHBondContact O-N 3.35Å
163D45Very low50.3Low84 Ų8452.3 Ų52.345%0.44930%0.299SS..Hα-helixtrans-64.8-44.5173.9-71.7-27.9000111.2G159 Q160 L161 K167G159-D163 PolarHBondContact O-N 2.69Å; G159-D163 VanDerWaalsContact O-N 3.08Å; Q160-D163 CarbonylContact O-C 3.54Å; Q160-D163 WeakPolarHBondContact O-CB 3.36Å; Q160-D163 PolarHBondContact O-N 3.08Å; Q160-D163 VanDerWaalsContact O-N 3.15Å; L161-D163 VanDerWaalsContact C-N 3.32Å; D163-K167 VanDerWaalsContact O-CG 3.26Å; D163-K167 WeakPolarHBondContact O-CG 3.42Å; D163-K167 PolarHBondContact O-N 3.1Å; D163-K167 VanDerWaalsContact O-N 3.07Å
164T41.1Very low49.3Very low14 Ų1455.9 Ų55.99%0.08632%0.32CS..Hα-helixtrans-74.9-31.1-178.9-63.40000113.2D53 D56 Q160 L161 K167D53-T164 HydrophobicContact CB-CG2 4.39Å; D53-T164 WeakPolarHBondContact OD2-CG2 3.23Å; D56-T164 PolarHBondContact OD2-OG1 3.23Å; Q160-T164 PolarHBondContact O-N 2.8Å; Q160-T164 PolarHBondContact O-OG1 2.92Å; L161-T164 PolarHBondContact O-N 2.98Å; T164-K167 WeakPolarHBondContact O-CB 3.18Å
165L35.6Very low49.8Very low56 Ų5653.7 Ų53.729%0.29331%0.308SS..Hα-helixtrans-80-34.3172.4-69.9167.7000111.9Y28 L161 K167 R168 T170Y28-L165 HydrophobicContact CD1-CD1 4.19Å; Y28-L165 HydrophobicContact CE1-CD1 4.1Å; L161-L165 WeakPolarHBondContact O-CB 3.49Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 3.39Å; L165-K167 PolarHBondContact O-N 3.26Å; L165-R168 CarbonylContact O-C 3.44Å; L165-R168 VanDerWaalsContact O-CA 3.32Å; L165-R168 WeakPolarHBondContact O-CA 3.5Å; L165-R168 WeakPolarHBondContact O-CB 3.26Å; L165-R168 PolarHBondContact O-N 2.92Å; L165-T170 PolarHBondContact O-OG1 2.86Å
166A42.1Very low50.9Low43 Ų4354.8 Ų54.836%0.35531%0.312SS..Hα-helixtrans-64.5-26.2170.400000111.8S162 R168S162-A166 WeakPolarHBondContact O-CA 3.4Å; S162-A166 WeakPolarHBondContact O-CB 3.26Å; S162-A166 PolarHBondContact O-N 3.35Å; A166-R168 PolarHBondContact O-N 2.87Å
167K40.6Very low52.6Low82 Ų8255.6 Ų55.636%0.35731%0.311SS..THydrogen-bonded Turntrans-59-25.9166.3-68171.4-169.5161.40112.3D163 T164 L165 V579 H583D163-K167 VanDerWaalsContact O-CG 3.26Å; D163-K167 WeakPolarHBondContact O-CG 3.42Å; D163-K167 PolarHBondContact O-N 3.1Å; D163-K167 VanDerWaalsContact O-N 3.07Å; T164-K167 WeakPolarHBondContact O-CB 3.18Å; L165-K167 PolarHBondContact O-N 3.26Å; K167-V579 HydrophobicContact CD-CG1 4.28Å; K167-V579 HydrophobicContact CG-CG1 4.47Å; K167-H583 WeakPolarHBondContact CA-NE2 3.32Å; K167-H583 WeakPolarHBondContact CB-NE2 3.09Å; K167-H583 WeakPolarHBondContact CG-CD2 3.24Å; K167-H583 WeakPolarHBondContact CG-NE2 3.38Å; K167-H583 PolarHBondContact O-CE1 2.96Å; K167-H583 VanDerWaalsContact O-CE1 3.32Å
168R41.7Very low54.5Low127 Ų12757.9 Ų57.948%0.47932%0.322SS..THydrogen-bonded Turntrans-97.764.2174.2-61-174.2-168.8172.44.9111.1D51 D53 L165 A166 T170D51-R168 PolarHBondContact O-NH1 3.17Å; D53-R168 IonicContact OD1-NH2 3.48Å; D53-R168 IonicContact OD2-NH2 3.5Å; L165-R168 CarbonylContact O-C 3.44Å; L165-R168 VanDerWaalsContact O-CA 3.32Å; L165-R168 WeakPolarHBondContact O-CA 3.5Å; L165-R168 WeakPolarHBondContact O-CB 3.26Å; L165-R168 PolarHBondContact O-N 2.92Å; A166-R168 PolarHBondContact O-N 2.87Å; R168-T170 WeakPolarHBondContact O-CG2 3.33Å; R168-T170 PolarHBondContact O-N 3.45Å
169N36.2Very low56.7Low154 Ų15457.8 Ų57.882%0.82432%0.321SS*.THydrogen-bonded Turntrans50.918.3164.3-67.8-20000117.9
170T42Very low58.9Low82 Ų8257.6 Ų57.650%0.50332%0.318SS..  trans-97.5141.1-176.345.80000111.3L165 R168 I172L165-T170 PolarHBondContact O-OG1 2.86Å; R168-T170 WeakPolarHBondContact O-CG2 3.33Å; R168-T170 PolarHBondContact O-N 3.45Å; T170-I172 PolarHBondContact O-N 3.36Å
171V43.7Very low61Low121 Ų12155 Ų5573%0.73331%0.306SS*.  trans-38.7122.1176.8175.50000110.2G173V171-G173 PolarHBondContact O-N 2.92Å; V171-G173 VanDerWaalsContact O-N 3.09Å
172I52.8Low63.2Low81 Ų8156.6 Ų56.642%0.41532%0.316SS..  trans-47.5123171.6-61.2169000106.8T170 M217 L220T170-I172 PolarHBondContact O-N 3.36Å; I172-M217 HydrophobicContact CD1-SD 4.33Å; I172-L220 HydrophobicContact CB-CD1 4.18Å; I172-L220 HydrophobicContact CD1-CD1 3.71Å; I172-L220 HydrophobicContact CG2-CD1 3.87Å; I172-L220 HydrophobicContact CG2-CD2 4.44Å
173G56.7Low65.2Low48 Ų4855.7 Ų55.750%0.49531%0.307SS..  trans-52.7171.9-17500000113.2V171 P175V171-G173 PolarHBondContact O-N 2.92Å; V171-G173 VanDerWaalsContact O-N 3.09Å; G173-P175 WeakPolarHBondContact O-CD 3.24Å
174T70.7Confident67Low82 Ų8256.6 Ų56.650%0.50331%0.309SS..  trans-58.2103.8-173.6-490000112.2Y176 W177T174-Y176 VanDerWaalsContact C-N 3.3Å; T174-Y176 HydrophobicContact CG2-CD2 3.17Å; T174-Y176 HydrophobicContact CG2-CE2 3.16Å; T174-Y176 HydrophobicContact CG2-CG 4.23Å; T174-Y176 PolarHBondContact O-N 2.93Å; T174-W177 HydrophobicContact CG2-CE3 4.48Å; T174-W177 HydrophobicContact CG2-CH2 4.48Å; T174-W177 HydrophobicContact CG2-CZ3 3.64Å
175P88.9Confident68.5Low0 Ų060.6 Ų60.60%033%0.327CS..G310 helixtrans-85.5-1-159.234.3-37.3000113.9G173 W177 M178 P216 A219 L220 I223G173-P175 WeakPolarHBondContact O-CD 3.24Å; P175-W177 PolarHBondContact O-N 2.77Å; P175-W177 VanDerWaalsContact O-N 3.14Å; P175-M178 HydrophobicContact CB-CG 4.45Å; P175-M178 HydrophobicContact CB-SD 3.74Å; P175-M178 VanDerWaalsContact O-CB 3.28Å; P175-M178 WeakPolarHBondContact O-CB 3.15Å; P175-M178 WeakPolarHBondContact O-CG 3.45Å; P175-M178 PolarHBondContact O-N 2.76Å; P175-P216 HydrophobicContact CG-CB 4.08Å; P175-A219 HydrophobicContact CG-CB 4.09Å; P175-L220 HydrophobicContact CB-CD2 3.5Å; P175-L220 HydrophobicContact CB-CG 3.82Å; P175-L220 HydrophobicContact CG-CD2 4.31Å; P175-L220 HydrophobicContact CG-CG 4.07Å; P175-I223 VanDerWaalsContact O-CD1 3.28Å; P175-I223 WeakPolarHBondContact O-CD1 3.36Å
176Y94.8Very high69.8Low26 Ų2663.5 Ų63.510%0.10234%0.341CS..G310 helixtrans-65.2-23.9-163.6-49-54.8000114T174 P209 L211 I214 A219T174-Y176 VanDerWaalsContact C-N 3.3Å; T174-Y176 HydrophobicContact CG2-CD2 3.17Å; T174-Y176 HydrophobicContact CG2-CE2 3.16Å; T174-Y176 HydrophobicContact CG2-CG 4.23Å; T174-Y176 PolarHBondContact O-N 2.93Å; Y176-P209 HydrophobicContact CD2-CG 4.32Å; Y176-P209 HydrophobicContact CG-CG 4.43Å; Y176-L211 HydrophobicContact CD1-CB 4.22Å; Y176-L211 VanDerWaalsContact CE1-O 3.23Å; Y176-L211 WeakPolarHBondContact CE1-O 3.48Å; Y176-I214 WeakPolarHBondContact CE1-O 3.49Å; Y176-I214 PolarHBondContact OH-O 3.21Å; Y176-A219 HydrophobicContact CD1-CB 3.8Å; Y176-A219 HydrophobicContact CE1-CB 3.6Å
177W95.5Very high70.6Confident32 Ų3263.3 Ų63.312%0.12134%0.343CS..G310 helixtrans-94.2-6.5175.5-60.6-101.6000113.4K138 T174 P175 S196 I199 E203 P209K138-W177 HydrophobicContact CB-CD2 3.94Å; K138-W177 HydrophobicContact CB-CG 4.08Å; K138-W177 HydrophobicContact CB-CZ2 4.07Å; T174-W177 HydrophobicContact CG2-CE3 4.48Å; T174-W177 HydrophobicContact CG2-CH2 4.48Å; T174-W177 HydrophobicContact CG2-CZ3 3.64Å; P175-W177 PolarHBondContact O-N 2.77Å; P175-W177 VanDerWaalsContact O-N 3.14Å; W177-S196 WeakPolarHBondContact O-CA 3.49Å; W177-S196 WeakPolarHBondContact O-CB 3.21Å; W177-S196 PolarHBondContact O-OG 2.71Å; W177-I199 HydrophobicContact CB-CG2 4.41Å; W177-I199 HydrophobicContact CG-CB 4.47Å; W177-I199 HydrophobicContact CG-CG2 3.91Å; W177-E203 WeakPolarHBondContact CZ2-OE1 3.47Å; W177-E203 PolarHBondContact NE1-OE2 3.4Å; W177-P209 HydrophobicContact CH2-CG 3.74Å; W177-P209 HydrophobicContact CZ2-CB 4.01Å; W177-P209 HydrophobicContact CZ2-CG 3.51Å; W177-P209 HydrophobicContact CZ3-CG 4.38Å
178M91.9Very high71.8Confident54 Ų5463.5 Ų63.527%0.26634%0.342SS..  trans-69.8138.8-175.2-64.717773.500111P175 V182 I183 W195 L220P175-M178 HydrophobicContact CB-CG 4.45Å; P175-M178 HydrophobicContact CB-SD 3.74Å; P175-M178 VanDerWaalsContact O-CB 3.28Å; P175-M178 WeakPolarHBondContact O-CB 3.15Å; P175-M178 WeakPolarHBondContact O-CG 3.45Å; P175-M178 PolarHBondContact O-N 2.76Å; M178-V182 HydrophobicContact CE-CB 4.46Å; M178-V182 HydrophobicContact CE-CG1 3.63Å; M178-I183 HydrophobicContact CB-CD1 4.04Å; M178-I183 HydrophobicContact CB-CG1 3.9Å; M178-I183 HydrophobicContact CE-CG1 3.95Å; M178-I183 HydrophobicContact SD-CG1 4.29Å; M178-W195 PolarHBondContact O-NE1 2.92Å; M178-L220 HydrophobicContact SD-CD2 4.16Å
179A93Very high73.4Confident1 Ų161.2 Ų61.21%0.00834%0.339CS..  trans-74.1151.3174.700000111.8E181 V182 I183 A192 W195A179-E181 VanDerWaalsContact C-N 3.29Å; A179-E181 VanDerWaalsContact CB-CD 3.47Å; A179-E181 VanDerWaalsContact CB-OE1 3.22Å; A179-E181 WeakPolarHBondContact CB-OE1 3.34Å; A179-E181 VanDerWaalsContact CB-OE2 3.31Å; A179-E181 WeakPolarHBondContact CB-OE2 3.49Å; A179-E181 PolarHBondContact O-N 2.83Å; A179-V182 HydrophobicContact CB-CG2 3.86Å; A179-V182 WeakPolarHBondContact O-CB 3.41Å; A179-V182 PolarHBondContact O-N 2.84Å; A179-V182 VanDerWaalsContact O-N 3.1Å; A179-I183 PolarHBondContact O-N 2.76Å; A179-A192 HydrophobicContact CB-CB 4.31Å; A179-W195 VanDerWaalsContact CA-CD1 3.42Å; A179-W195 HydrophobicContact CB-CB 3.69Å; A179-W195 HydrophobicContact CB-CD2 4.24Å; A179-W195 HydrophobicContact CB-CG 3.63Å
180P93.1Very high75.9Confident4 Ų455.6 Ų55.63%0.02631%0.312CS..Hα-helixtrans-52.7-43.6180-28.435.6000113.9V182 I183 Q184 W195 I223 P224 K251P180-V182 VanDerWaalsContact C-N 3.34Å; P180-V182 PolarHBondContact O-N 3.06Å; P180-I183 PolarHBondContact O-N 3.41Å; P180-Q184 WeakPolarHBondContact O-CB 3.27Å; P180-Q184 VanDerWaalsContact O-CG 3.27Å; P180-Q184 WeakPolarHBondContact O-CG 3.44Å; P180-Q184 PolarHBondContact O-N 2.9Å; P180-W195 HydrophobicContact CG-CE3 4.25Å; P180-W195 HydrophobicContact CG-CH2 3.65Å; P180-W195 HydrophobicContact CG-CZ2 3.94Å; P180-W195 HydrophobicContact CG-CZ3 3.81Å; P180-I223 HydrophobicContact CG-CG2 4.3Å; P180-P224 HydrophobicContact CB-CB 4.43Å; P180-K251 HydrophobicContact CG-CD 3.99Å
181E90.7Very high78.3Confident11 Ų1152.5 Ų52.55%0.05129%0.293CS..Hα-helixtrans-69.8-29.6-178.972.5-75.7-176.300113A179 E185 I186 P253 R256A179-E181 VanDerWaalsContact C-N 3.29Å; A179-E181 VanDerWaalsContact CB-CD 3.47Å; A179-E181 VanDerWaalsContact CB-OE1 3.22Å; A179-E181 WeakPolarHBondContact CB-OE1 3.34Å; A179-E181 VanDerWaalsContact CB-OE2 3.31Å; A179-E181 WeakPolarHBondContact CB-OE2 3.49Å; A179-E181 PolarHBondContact O-N 2.83Å; E181-E185 PolarHBondContact O-N 3.09Å; E181-E185 VanDerWaalsContact O-N 3.1Å; E181-I186 PolarHBondContact O-N 3.08Å; E181-I186 VanDerWaalsContact O-N 3.1Å; E181-P253 HydrophobicContact CG-CB 4.42Å; E181-P253 HydrophobicContact CG-CG 4.32Å; E181-R256 IonicContact OE1-CZ 3.8Å; E181-R256 IonicContact OE1-NH1 3.55Å; E181-R256 PolarHBondContact OE1-NH1 3.27Å; E181-R256 IonicContact OE1-NH2 3.9Å; E181-R256 PolarHBondContact OE1-NH2 3.09Å; E181-R256 IonicContact OE2-CZ 3.88Å; E181-R256 IonicContact OE2-NH1 2.89Å; E181-R256 PolarHBondContact OE2-NH1 3.31Å; E181-R256 IonicContact OE2-NH2 3.77Å; E181-R256 PolarHBondContact OE2-NH2 2.76Å
182V88.2Confident80.7Confident39 Ų3947 Ų4724%0.23626%0.261CS..Hα-helixtrans-66.1-46.9173.8-179.60000109.1M178 A179 P180 Q184 E185 A192M178-V182 HydrophobicContact CE-CB 4.46Å; M178-V182 HydrophobicContact CE-CG1 3.63Å; A179-V182 HydrophobicContact CB-CG2 3.86Å; A179-V182 WeakPolarHBondContact O-CB 3.41Å; A179-V182 PolarHBondContact O-N 2.84Å; A179-V182 VanDerWaalsContact O-N 3.1Å; P180-V182 VanDerWaalsContact C-N 3.34Å; P180-V182 PolarHBondContact O-N 3.06Å; V182-Q184 VanDerWaalsContact C-N 3.35Å; V182-Q184 PolarHBondContact O-N 3.36Å; V182-E185 PolarHBondContact O-N 3.34Å; V182-A192 HydrophobicContact CG2-CB 3.71Å
183I85.4Confident82.7Confident29 Ų2943.2 Ų43.215%0.14924%0.242CC..Hα-helixtrans-65-40.3178.3-64.4171.1000111.3M178 A179 P180 E185 L220 I223 P224M178-I183 HydrophobicContact CB-CD1 4.04Å; M178-I183 HydrophobicContact CB-CG1 3.9Å; M178-I183 HydrophobicContact CE-CG1 3.95Å; M178-I183 HydrophobicContact SD-CG1 4.29Å; A179-I183 PolarHBondContact O-N 2.76Å; P180-I183 PolarHBondContact O-N 3.41Å; I183-E185 PolarHBondContact O-N 3.48Å; I183-L220 HydrophobicContact CD1-CD2 4.05Å; I183-L220 HydrophobicContact CG1-CD2 3.92Å; I183-L220 HydrophobicContact CG2-CD2 4.12Å; I183-I223 HydrophobicContact CD1-CB 3.62Å; I183-I223 HydrophobicContact CD1-CD1 3.75Å; I183-I223 HydrophobicContact CD1-CG1 4.3Å; I183-I223 HydrophobicContact CD1-CG2 3.55Å; I183-P224 HydrophobicContact CB-CG 4.05Å; I183-P224 HydrophobicContact CD1-CG 4.29Å; I183-P224 HydrophobicContact CG2-CG 3.75Å
184Q81.8Confident84.7Confident103 Ų10341 Ų4148%0.48122%0.218SC..THydrogen-bonded Turntrans-75.2-4.5178.6-68.8173.6-32.900113.2P180 V182 I186 P224P180-Q184 WeakPolarHBondContact O-CB 3.27Å; P180-Q184 VanDerWaalsContact O-CG 3.27Å; P180-Q184 WeakPolarHBondContact O-CG 3.44Å; P180-Q184 PolarHBondContact O-N 2.9Å; V182-Q184 VanDerWaalsContact C-N 3.35Å; V182-Q184 PolarHBondContact O-N 3.36Å; Q184-I186 HydrophobicContact CB-CD1 3.68Å; Q184-I186 HydrophobicContact CB-CG1 3.8Å; Q184-I186 HydrophobicContact CG-CD1 4.48Å; Q184-I186 PolarHBondContact O-N 2.77Å; Q184-P224 HydrophobicContact CG-CB 4.04Å; Q184-P224 HydrophobicContact CG-CG 4.21Å
185E72.7Confident86Confident98 Ų9837.3 Ų37.346%0.45820%0.195SC..THydrogen-bonded Turntrans5431-176.5-66.6-175.2167.700114.3E181 V182 I183 G187 K584E181-E185 PolarHBondContact O-N 3.09Å; E181-E185 VanDerWaalsContact O-N 3.1Å; V182-E185 PolarHBondContact O-N 3.34Å; I183-E185 PolarHBondContact O-N 3.48Å; E185-G187 PolarHBondContact O-N 3.22Å; E185-K584 WeakPolarHBondContact OE1-CE 3.42Å; E185-K584 IonicContact OE1-NZ 3.96Å; E185-K584 PolarHBondContact OE1-NZ 3.28Å; E185-K584 WeakPolarHBondContact OE2-CE 3.45Å; E185-K584 IonicContact OE2-NZ 2.7Å; E185-K584 PolarHBondContact OE2-NZ 2.85Å
186I62.4Low86.4Confident116 Ų11637.8 Ų37.860%0.59520%0.198SC*.SBendtrans-75.35.6177-59.9171.3000110.6E181 Q184E181-I186 PolarHBondContact O-N 3.08Å; E181-I186 VanDerWaalsContact O-N 3.1Å; Q184-I186 HydrophobicContact CB-CD1 3.68Å; Q184-I186 HydrophobicContact CB-CG1 3.8Å; Q184-I186 HydrophobicContact CG-CD1 4.48Å; Q184-I186 PolarHBondContact O-N 2.77Å
187G60.3Low86.6Confident39 Ų3936.5 Ų36.540%0.40219%0.194SC..  trans94.9158.5-166.700000110E185E185-G187 PolarHBondContact O-N 3.22Å
188Y66.4Low86.7Confident87 Ų8735 Ų3534%0.34119%0.188SC..  trans-128.2142.8172.162.6-92.1000108.7I133 R135I133-Y188 HydrophobicContact CD1-CD2 3.68Å; I133-Y188 HydrophobicContact CD1-CE2 3.75Å; I133-Y188 HydrophobicContact CG2-CD2 4.28Å; I133-Y188 HydrophobicContact CG2-CE2 4.49Å; R135-Y188 HydrophobicContact CG-CE2 4.23Å; R135-Y188 PolarHBondContact NE-OH 3.09Å; R135-Y188 PolarHBondContact NH1-OH 3.06Å; R135-Y188 PolarHBondContact NH2-OH 3.35Å
189N73.9Confident87.1Confident78 Ų7832.6 Ų32.642%0.41718%0.176SC..  trans-124.4-174.817562.121.2000107.9S191 A192N189-S191 PolarHBondContact O-N 3.28Å; N189-S191 WeakPolarHBondContact OD1-CA 3.41Å; N189-S191 WeakPolarHBondContact OD1-CB 3.37Å; N189-S191 PolarHBondContact OD1-N 3.21Å; N189-S191 PolarHBondContact OD1-OG 3.31Å; N189-A192 WeakPolarHBondContact O-CB 2.99Å; N189-A192 PolarHBondContact O-N 3.23Å
190C88.4Confident87.3Confident37 Ų3732.5 Ų32.525%0.2518%0.175CC..THydrogen-bonded Turntrans-55.5-23.4177.9-57.10000114H128 A192 D193H128-C190 HydrophobicContact CB-CB 4.19Å; H128-C190 PolarHBondContact CE1-O 2.9Å; H128-C190 PolarHBondContact NE2-O 2.82Å; C190-A192 PolarHBondContact O-N 3.22Å; C190-D193 PolarHBondContact O-N 3.05Å
191S94Very high87.6Confident16 Ų1632.3 Ų32.311%0.11217%0.174CC..Hα-helixtrans-70.9-15.3178.580.50000113.7N189 D193 I194 W195 P253 R256N189-S191 PolarHBondContact O-N 3.28Å; N189-S191 WeakPolarHBondContact OD1-CA 3.41Å; N189-S191 WeakPolarHBondContact OD1-CB 3.37Å; N189-S191 PolarHBondContact OD1-N 3.21Å; N189-S191 PolarHBondContact OD1-OG 3.31Å; S191-D193 VanDerWaalsContact C-N 3.33Å; S191-I194 WeakPolarHBondContact O-CB 3.39Å; S191-I194 PolarHBondContact O-N 3.04Å; S191-W195 PolarHBondContact O-N 3.38Å; S191-P253 VanDerWaalsContact OG-CB 3.24Å; S191-P253 WeakPolarHBondContact OG-CB 3.13Å; S191-R256 PolarHBondContact O-NH1 3.18Å
192A93.6Very high88Confident7 Ų731.9 Ų31.96%0.05817%0.172CC..Hα-helixtrans-63.3-4117200000111A179 V182 N189 C190 I194 W195 S196A179-A192 HydrophobicContact CB-CB 4.31Å; V182-A192 HydrophobicContact CG2-CB 3.71Å; N189-A192 WeakPolarHBondContact O-CB 2.99Å; N189-A192 PolarHBondContact O-N 3.23Å; C190-A192 PolarHBondContact O-N 3.22Å; A192-I194 PolarHBondContact O-N 2.82Å; A192-W195 WeakPolarHBondContact O-CB 3.43Å; A192-W195 PolarHBondContact O-N 3.15Å; A192-S196 PolarHBondContact O-N 3.44Å; A192-S196 VanDerWaalsContact O-N 3.09Å; A192-S196 PolarHBondContact O-OG 3.29Å
193D95.5Very high88.5Confident1 Ų130.8 Ų30.81%0.00517%0.165CC..Hα-helixtrans-62.2-32.6175.3-66.7-28.3000111.5L124 H128 I133 H134 R135 I137 C190 S191 S196 L197L124-D193 HydrophobicContact CD1-CB 4.35Å; L124-D193 HydrophobicContact CD2-CB 3.75Å; H128-D193 IonicContact CD2-OD2 3.13Å; H128-D193 IonicContact CE1-OD2 2.9Å; H128-D193 IonicContact NE2-OD2 2.98Å; H128-D193 PolarHBondContact NE2-OD2 3.31Å; I133-D193 WeakPolarHBondContact CG2-OD2 3.24Å; H134-D193 PolarHBondContact N-OD1 2.64Å; H134-D193 PolarHBondContact N-OD2 3.49Å; R135-D193 PolarHBondContact N-OD1 3.28Å; I137-D193 HydrophobicContact CG1-CB 4.25Å; C190-D193 PolarHBondContact O-N 3.05Å; S191-D193 VanDerWaalsContact C-N 3.33Å; D193-S196 PolarHBondContact O-N 3.33Å; D193-L197 WeakPolarHBondContact O-CB 3.33Å; D193-L197 PolarHBondContact O-N 2.81Å
194I98.2Very high89.1Confident1 Ų129.4 Ų29.41%0.00516%0.157CC..Hα-helixtrans-68-39.3178-56.7-57.5000111.5L124 S191 A192 L197 G198 C248 R256 A259 L262L124-I194 HydrophobicContact CD1-CD1 4.46Å; S191-I194 WeakPolarHBondContact O-CB 3.39Å; S191-I194 PolarHBondContact O-N 3.04Å; A192-I194 PolarHBondContact O-N 2.82Å; I194-L197 WeakPolarHBondContact O-CB 3.47Å; I194-L197 PolarHBondContact O-N 2.98Å; I194-G198 PolarHBondContact O-N 3.29Å; I194-C248 HydrophobicContact CG2-CB 4.24Å; I194-R256 HydrophobicContact CG2-CB 4.32Å; I194-A259 HydrophobicContact CD1-CB 4.16Å; I194-L262 HydrophobicContact CD1-CD1 4.16Å; I194-L262 HydrophobicContact CG2-CD1 3.76Å
195W97.9Very high89.9Confident5 Ų525 Ų252%0.01914%0.138CC..Hα-helixtrans-61.8-49.3171.6173.6-79.4000111M178 A179 P180 S191 A192 L197 G198 I199 I223 L249 K251M178-W195 PolarHBondContact O-NE1 2.92Å; A179-W195 VanDerWaalsContact CA-CD1 3.42Å; A179-W195 HydrophobicContact CB-CB 3.69Å; A179-W195 HydrophobicContact CB-CD2 4.24Å; A179-W195 HydrophobicContact CB-CG 3.63Å; P180-W195 HydrophobicContact CG-CE3 4.25Å; P180-W195 HydrophobicContact CG-CH2 3.65Å; P180-W195 HydrophobicContact CG-CZ2 3.94Å; P180-W195 HydrophobicContact CG-CZ3 3.81Å; S191-W195 PolarHBondContact O-N 3.38Å; A192-W195 WeakPolarHBondContact O-CB 3.43Å; A192-W195 PolarHBondContact O-N 3.15Å; W195-L197 VanDerWaalsContact C-N 3.25Å; W195-L197 PolarHBondContact O-N 3.22Å; W195-G198 WeakPolarHBondContact O-CA 3.36Å; W195-G198 PolarHBondContact O-N 2.55Å; W195-I199 PolarHBondContact O-N 2.96Å; W195-I223 HydrophobicContact CZ2-CG2 4.23Å; W195-L249 HydrophobicContact CD2-CD2 3.91Å; W195-L249 HydrophobicContact CE3-CB 4.48Å; W195-L249 HydrophobicContact CE3-CD2 4.1Å; W195-L249 HydrophobicContact CG-CD2 4.31Å; W195-L249 HydrophobicContact CZ2-CD2 4.44Å; W195-L249 HydrophobicContact CZ3-CB 4.28Å; W195-L249 HydrophobicContact CZ3-CD2 4.43Å; W195-L249 WeakPolarHBondContact CZ3-O 3.49Å; W195-K251 HydrophobicContact CH2-CD 3.8Å; W195-K251 HydrophobicContact CZ3-CD 3.94Å
196S97.1Very high91.1Very high9 Ų921.9 Ų21.96%0.06313%0.125CC..Hα-helixtrans-59.8-36.2178.9-58.90000112W177 A192 D193 I199 T200W177-S196 WeakPolarHBondContact O-CA 3.49Å; W177-S196 WeakPolarHBondContact O-CB 3.21Å; W177-S196 PolarHBondContact O-OG 2.71Å; A192-S196 PolarHBondContact O-N 3.44Å; A192-S196 VanDerWaalsContact O-N 3.09Å; A192-S196 PolarHBondContact O-OG 3.29Å; D193-S196 PolarHBondContact O-N 3.33Å; S196-I199 PolarHBondContact O-N 3.47Å; S196-T200 WeakPolarHBondContact O-CB 3.42Å; S196-T200 PolarHBondContact O-N 3.27Å; S196-T200 PolarHBondContact O-OG1 3.27Å
197L98.6Very high92.8Very high0 Ų018.2 Ų18.20%012%0.116CC..Hα-helixtrans-62.9-43.1171.7-169.874.8000112.2L117 L121 L124 I137 D193 I194 W195 I199 T200 A201 F244L117-L197 HydrophobicContact CD2-CD1 3.55Å; L117-L197 HydrophobicContact CD2-CD2 4.48Å; L117-L197 HydrophobicContact CD2-CG 3.89Å; L121-L197 HydrophobicContact CD2-CD2 3.44Å; L121-L197 VanDerWaalsContact CD2-CD2 3.44Å; L121-L197 HydrophobicContact CG-CD2 3.8Å; L124-L197 HydrophobicContact CD1-CB 4.47Å; L124-L197 HydrophobicContact CD1-CD1 4.32Å; L124-L197 HydrophobicContact CD1-CD2 4.23Å; I137-L197 HydrophobicContact CG2-CB 4.32Å; I137-L197 HydrophobicContact CG2-CD1 4.16Å; D193-L197 WeakPolarHBondContact O-CB 3.33Å; D193-L197 PolarHBondContact O-N 2.81Å; I194-L197 WeakPolarHBondContact O-CB 3.47Å; I194-L197 PolarHBondContact O-N 2.98Å; W195-L197 VanDerWaalsContact C-N 3.25Å; W195-L197 PolarHBondContact O-N 3.22Å; L197-I199 VanDerWaalsContact C-N 3.33Å; L197-I199 PolarHBondContact O-N 2.83Å; L197-T200 WeakPolarHBondContact O-CB 3.15Å; L197-T200 PolarHBondContact O-N 3.47Å; L197-T200 VanDerWaalsContact O-N 3.17Å; L197-A201 PolarHBondContact O-N 2.6Å; L197-F244 HydrophobicContact CD2-CZ 4.26Å
198G98.7Very high94.5Very high0 Ų019.5 Ų19.50%011%0.11CC..Hα-helixtrans-61.3-39.4174.800000113I194 W195 A201 I202I194-G198 PolarHBondContact O-N 3.29Å; W195-G198 WeakPolarHBondContact O-CA 3.36Å; W195-G198 PolarHBondContact O-N 2.55Å; G198-A201 PolarHBondContact O-N 3.07Å; G198-I202 PolarHBondContact O-N 3.3Å
199I98.7Very high96Very high3 Ų315.8 Ų15.82%0.01510%0.097CC..Hα-helixtrans-67-40.8172.8-62-59.9000111.1W177 W195 S196 L197 A201 I202 E203 P209 P210 P229 L249W177-I199 HydrophobicContact CB-CG2 4.41Å; W177-I199 HydrophobicContact CG-CB 4.47Å; W177-I199 HydrophobicContact CG-CG2 3.91Å; W195-I199 PolarHBondContact O-N 2.96Å; S196-I199 PolarHBondContact O-N 3.47Å; L197-I199 VanDerWaalsContact C-N 3.33Å; L197-I199 PolarHBondContact O-N 2.83Å; I199-A201 VanDerWaalsContact C-N 3.29Å; I199-A201 PolarHBondContact O-N 3.42Å; I199-I202 PolarHBondContact O-N 2.81Å; I199-I202 VanDerWaalsContact O-N 3.15Å; I199-E203 PolarHBondContact O-N 3.39Å; I199-P209 HydrophobicContact CG2-CB 3.74Å; I199-P210 HydrophobicContact CD1-CG 4.28Å; I199-P229 HydrophobicContact CD1-CG 3.71Å; I199-L249 HydrophobicContact CD1-CD1 4.29Å; I199-L249 HydrophobicContact CD1-CD2 3.7Å; I199-L249 HydrophobicContact CG1-CD2 3.93Å
200T98.6Very high97.1Very high0 Ų013.3 Ų13.30%09%0.085CC..Hα-helixtrans-62.6-36.2177.1-55.30000111.7K138 A139 I142 S196 L197 E203 M204K138-T200 WeakPolarHBondContact CA-OG1 3.44Å; A139-T200 HydrophobicContact CB-CG2 4.26Å; I142-T200 HydrophobicContact CD1-CG2 3.87Å; S196-T200 WeakPolarHBondContact O-CB 3.42Å; S196-T200 PolarHBondContact O-N 3.27Å; S196-T200 PolarHBondContact O-OG1 3.27Å; L197-T200 WeakPolarHBondContact O-CB 3.15Å; L197-T200 PolarHBondContact O-N 3.47Å; L197-T200 VanDerWaalsContact O-N 3.17Å; T200-E203 WeakPolarHBondContact O-CB 3.32Å; T200-E203 PolarHBondContact O-N 3.04Å; T200-M204 HydrophobicContact CG2-CE 4.21Å; T200-M204 WeakPolarHBondContact O-CG 3.48Å; T200-M204 PolarHBondContact O-N 3.03Å
201A98.8Very high97.5Very high0 Ų013.7 Ų13.70%08%0.084CC..Hα-helixtrans-61.9-42.6173.300000112.2L117 L197 G198 I199 A205 F241 I245L117-A201 HydrophobicContact CD1-CB 3.93Å; L197-A201 PolarHBondContact O-N 2.6Å; G198-A201 PolarHBondContact O-N 3.07Å; I199-A201 VanDerWaalsContact C-N 3.29Å; I199-A201 PolarHBondContact O-N 3.42Å; A201-A205 WeakPolarHBondContact O-CB 3.28Å; A201-A205 PolarHBondContact O-N 3.03Å; A201-F241 HydrophobicContact CB-CE2 4.04Å; A201-F241 HydrophobicContact CB-CZ 4.31Å; A201-I245 HydrophobicContact CB-CD1 4.48Å; A201-I245 HydrophobicContact CB-CG1 4.11Å
202I98.7Very high97.5Very high2 Ų214 Ų141%0.019%0.088CC..Hα-helixtrans-66-42.6173.1-63.6172.6000110.6G198 I199 M204 A205 D206 P210 P229 L231 I245 L249G198-I202 PolarHBondContact O-N 3.3Å; I199-I202 PolarHBondContact O-N 2.81Å; I199-I202 VanDerWaalsContact O-N 3.15Å; I202-M204 VanDerWaalsContact C-N 3.31Å; I202-M204 PolarHBondContact O-N 3.34Å; I202-A205 PolarHBondContact O-N 3.49Å; I202-D206 HydrophobicContact CG2-CB 4.4Å; I202-D206 WeakPolarHBondContact O-CB 3.33Å; I202-D206 PolarHBondContact O-N 2.8Å; I202-P210 HydrophobicContact CB-CG 4.44Å; I202-P210 HydrophobicContact CD1-CG 4.02Å; I202-P210 HydrophobicContact CG2-CG 3.91Å; I202-P229 HydrophobicContact CD1-CG 4.48Å; I202-L231 HydrophobicContact CG1-CD2 4.24Å; I202-L231 HydrophobicContact CG2-CD2 4.44Å; I202-I245 HydrophobicContact CD1-CG2 3.96Å; I202-I245 HydrophobicContact CG1-CD1 4.05Å; I202-I245 HydrophobicContact CG1-CG2 4.06Å; I202-L249 HydrophobicContact CD1-CD1 3.72Å
203E98.6Very high97.5Very high16 Ų1619.1 Ų19.18%0.07511%0.114CC..Hα-helixtrans-55.5-45177.1174.1-172.3-163.500111.9M101 A139 W177 I199 T200 G207 K208 P209M101-E203 HydrophobicContact CE-CG 4.44Å; A139-E203 HydrophobicContact CB-CG 4.16Å; A139-E203 WeakPolarHBondContact CB-OE1 3.37Å; A139-E203 WeakPolarHBondContact CB-OE2 3.47Å; A139-E203 PolarHBondContact N-OE2 3.24Å; W177-E203 WeakPolarHBondContact CZ2-OE1 3.47Å; W177-E203 PolarHBondContact NE1-OE2 3.4Å; I199-E203 PolarHBondContact O-N 3.39Å; T200-E203 WeakPolarHBondContact O-CB 3.32Å; T200-E203 PolarHBondContact O-N 3.04Å; E203-G207 CarbonylContact O-C 3.46Å; E203-G207 WeakPolarHBondContact O-CA 3.35Å; E203-G207 PolarHBondContact O-N 3.36Å; E203-K208 PolarHBondContact O-N 3.27Å; E203-P209 HydrophobicContact CB-CB 4.44Å
204M98.7Very high97.4Very high0 Ų021.4 Ų21.40%013%0.126CC..Hα-helixtrans-68.3-35178.5-71.9-176.2-63.500113.2I97 M101 A107 I108 I113 V116 L117 A139 T200 I202I97-M204 HydrophobicContact CG2-CG 3.86Å; I97-M204 HydrophobicContact CG2-SD 3.86Å; M101-M204 HydrophobicContact CE-CG 4.49Å; A107-M204 WeakPolarHBondContact CB-O 3.45Å; I108-M204 HydrophobicContact CD1-CB 3.89Å; I108-M204 HydrophobicContact CD1-CG 4.04Å; I108-M204 HydrophobicContact CD1-SD 3.8Å; I108-M204 HydrophobicContact CG1-CB 3.73Å; I108-M204 HydrophobicContact CG1-CG 4.32Å; I108-M204 PolarHBondContact N-O 3.38Å; I108-M204 VanDerWaalsContact N-O 3.08Å; I113-M204 HydrophobicContact CD1-CB 4.08Å; I113-M204 HydrophobicContact CG1-CB 3.88Å; I113-M204 HydrophobicContact CG2-CE 3.99Å; V116-M204 HydrophobicContact CB-SD 4.39Å; V116-M204 HydrophobicContact CG1-CE 4.46Å; V116-M204 HydrophobicContact CG1-SD 3.87Å; L117-M204 HydrophobicContact CD1-CE 4.37Å; L117-M204 HydrophobicContact CD2-CE 3.71Å; L117-M204 HydrophobicContact CG-CE 3.88Å; A139-M204 HydrophobicContact CB-CG 4.33Å; T200-M204 HydrophobicContact CG2-CE 4.21Å; T200-M204 WeakPolarHBondContact O-CG 3.48Å; T200-M204 PolarHBondContact O-N 3.03Å; I202-M204 VanDerWaalsContact C-N 3.31Å; I202-M204 PolarHBondContact O-N 3.34Å
205A98.5Very high96.9Very high9 Ų927.6 Ų27.67%0.07416%0.155CC..Hα-helixtrans-77.8-42.8-178.800000113.2A107 I113 A201 I202 L231 W237 F241A107-A205 WeakPolarHBondContact CB-O 3.28Å; I113-A205 HydrophobicContact CD1-CB 3.9Å; A201-A205 WeakPolarHBondContact O-CB 3.28Å; A201-A205 PolarHBondContact O-N 3.03Å; I202-A205 PolarHBondContact O-N 3.49Å; A205-L231 HydrophobicContact CB-CD2 3.58Å; A205-W237 HydrophobicContact CB-CH2 3.63Å; A205-W237 HydrophobicContact CB-CZ2 3.49Å; A205-W237 VanDerWaalsContact CB-CZ2 3.49Å; A205-W237 HydrophobicContact CB-CZ3 4.31Å; A205-F241 HydrophobicContact CB-CE1 4.06Å; A205-F241 HydrophobicContact CB-CZ 4.24Å
206D97.9Very high96.4Very high34 Ų3428.8 Ų28.818%0.18216%0.163CC..Hα-helixtrans-100.9-3.7-175.5-74.6-28.2000112.8I202 K208 R232I202-D206 HydrophobicContact CG2-CB 4.4Å; I202-D206 WeakPolarHBondContact O-CB 3.33Å; I202-D206 PolarHBondContact O-N 2.8Å; D206-K208 VanDerWaalsContact C-N 3.26Å; D206-K208 PolarHBondContact O-N 3.37Å; D206-R232 HydrophobicContact CB-CG 4.47Å; D206-R232 WeakPolarHBondContact OD2-CG 3.32Å; D206-R232 PolarHBondContact OD2-N 3.38Å
207G97.2Very high95.9Very high39 Ų3932.8 Ų32.840%0.40218%0.182SC..SBendtrans81.2-9.5-179.600000115.3E203E203-G207 CarbonylContact O-C 3.46Å; E203-G207 WeakPolarHBondContact O-CA 3.35Å; E203-G207 PolarHBondContact O-N 3.36Å
208K96.3Very high95.5Very high66 Ų6640.4 Ų40.429%0.28721%0.211SC..SBendtrans-155152.9176.454.7169134.1176.60110.9E203 D206 A212 D213 R232E203-K208 PolarHBondContact O-N 3.27Å; D206-K208 VanDerWaalsContact C-N 3.26Å; D206-K208 PolarHBondContact O-N 3.37Å; K208-A212 HydrophobicContact CB-CB 4.04Å; K208-A212 HydrophobicContact CD-CB 3.83Å; K208-A212 HydrophobicContact CG-CB 4.34Å; K208-D213 IonicContact NZ-OD1 3.53Å; K208-D213 PolarHBondContact NZ-OD1 3.29Å; K208-D213 IonicContact NZ-OD2 3.19Å; K208-D213 PolarHBondContact NZ-OD2 3.19Å; K208-R232 VanDerWaalsContact CD-NH2 3.33Å
209P97.5Very high95.2Very high8 Ų840.4 Ų40.45%0.05221%0.211CC..  trans-66.9160.8177.131.6-38.3000111.4Y176 W177 I199 E203 A212Y176-P209 HydrophobicContact CD2-CG 4.32Å; Y176-P209 HydrophobicContact CG-CG 4.43Å; W177-P209 HydrophobicContact CH2-CG 3.74Å; W177-P209 HydrophobicContact CZ2-CB 4.01Å; W177-P209 HydrophobicContact CZ2-CG 3.51Å; W177-P209 HydrophobicContact CZ3-CG 4.38Å; I199-P209 HydrophobicContact CG2-CB 3.74Å; E203-P209 HydrophobicContact CB-CB 4.44Å; P209-A212 HydrophobicContact CG-CB 4.02Å; P209-A212 WeakPolarHBondContact O-CB 3.17Å; P209-A212 PolarHBondContact O-N 3.49Å
210P97.6Very high94.7Very high26 Ų2641.3 Ų41.317%0.16922%0.215CC..THydrogen-bonded Turntrans-53.6144.8167.8-23.234.9000111.1I199 I202 A212 P229I199-P210 HydrophobicContact CD1-CG 4.28Å; I202-P210 HydrophobicContact CB-CG 4.44Å; I202-P210 HydrophobicContact CD1-CG 4.02Å; I202-P210 HydrophobicContact CG2-CG 3.91Å; P210-A212 PolarHBondContact O-N 3.47Å; P210-P229 HydrophobicContact CB-CB 3.77Å; P210-P229 HydrophobicContact CB-CG 4.2Å; P210-P229 HydrophobicContact CG-CB 3.67Å; P210-P229 HydrophobicContact CG-CG 3.89Å
211L96.3Very high94.2Very high45 Ų4548.7 Ų48.724%0.23625%0.248CC..THydrogen-bonded Turntrans64.310.2179.4-47.5176.2000115.4Y176 D213 I214 A219 M222 I223Y176-L211 HydrophobicContact CD1-CB 4.22Å; Y176-L211 VanDerWaalsContact CE1-O 3.23Å; Y176-L211 WeakPolarHBondContact CE1-O 3.48Å; L211-D213 PolarHBondContact O-N 3.24Å; L211-D213 VanDerWaalsContact O-N 3.14Å; L211-I214 HydrophobicContact CB-CB 4.25Å; L211-I214 HydrophobicContact CB-CG1 4.23Å; L211-I214 HydrophobicContact CD2-CG1 4.15Å; L211-I214 WeakPolarHBondContact O-CA 3.46Å; L211-I214 VanDerWaalsContact O-CB 3.29Å; L211-I214 WeakPolarHBondContact O-CB 3.39Å; L211-I214 PolarHBondContact O-N 3.37Å; L211-A219 HydrophobicContact CB-CB 4.35Å; L211-A219 HydrophobicContact CD1-CB 4.31Å; L211-M222 HydrophobicContact CD1-CB 4.03Å; L211-M222 HydrophobicContact CD1-CE 4.48Å; L211-M222 HydrophobicContact CD2-CE 3.5Å; L211-M222 HydrophobicContact CD2-SD 4.43Å; L211-I223 HydrophobicContact CD1-CG1 4.02Å
212A94Very high94Very high24 Ų2449.9 Ų49.920%0.19825%0.254CS..THydrogen-bonded Turntrans-55.4-32.3177.600000113.7K208 P209 P210 I214K208-A212 HydrophobicContact CB-CB 4.04Å; K208-A212 HydrophobicContact CD-CB 3.83Å; K208-A212 HydrophobicContact CG-CB 4.34Å; P209-A212 HydrophobicContact CG-CB 4.02Å; P209-A212 WeakPolarHBondContact O-CB 3.17Å; P209-A212 PolarHBondContact O-N 3.49Å; P210-A212 PolarHBondContact O-N 3.47Å; A212-I214 PolarHBondContact O-N 3.29Å
213D93.6Very high93.8Very high114 Ų11450.5 Ų50.561%0.6126%0.257SS*.THydrogen-bonded Turntrans-84.34.3178.5-50.9-48.7000112.7K208 L211 R232K208-D213 IonicContact NZ-OD1 3.53Å; K208-D213 PolarHBondContact NZ-OD1 3.29Å; K208-D213 IonicContact NZ-OD2 3.19Å; K208-D213 PolarHBondContact NZ-OD2 3.19Å; L211-D213 PolarHBondContact O-N 3.24Å; L211-D213 VanDerWaalsContact O-N 3.14Å; D213-R232 IonicContact OD2-NH2 2.79Å
214I93.1Very high93.5Very high48 Ų4851 Ų5125%0.24626%0.261CS..SBendtrans-108135.6-178.5-55.1-61.2000109.5Y176 L211 A212 R218 M222Y176-I214 WeakPolarHBondContact CE1-O 3.49Å; Y176-I214 PolarHBondContact OH-O 3.21Å; L211-I214 HydrophobicContact CB-CB 4.25Å; L211-I214 HydrophobicContact CB-CG1 4.23Å; L211-I214 HydrophobicContact CD2-CG1 4.15Å; L211-I214 WeakPolarHBondContact O-CA 3.46Å; L211-I214 VanDerWaalsContact O-CB 3.29Å; L211-I214 WeakPolarHBondContact O-CB 3.39Å; L211-I214 PolarHBondContact O-N 3.37Å; A212-I214 PolarHBondContact O-N 3.29Å; I214-R218 HydrophobicContact CG2-CB 3.84Å; I214-R218 HydrophobicContact CG2-CG 3.77Å; I214-M222 HydrophobicContact CG2-SD 4.09Å
215H88.5Confident93.2Very high131 Ų13155.4 Ų55.461%0.60629%0.292SS*.  trans-50.7133.5178.3-171.3-80.8000112.1M217 R218 A219H215-M217 VanDerWaalsContact C-N 3.34Å; H215-M217 PolarHBondContact ND1-N 3.03Å; H215-M217 PolarHBondContact O-N 3.41Å; H215-M217 VanDerWaalsContact O-N 3.17Å; H215-R218 WeakPolarHBondContact O-CA 3.43Å; H215-R218 WeakPolarHBondContact O-CB 3.08Å; H215-R218 PolarHBondContact O-N 3.36Å; H215-A219 PolarHBondContact O-N 3.48Å
216P88.4Confident93.1Very high31 Ų3159.1 Ų59.120%0.20131%0.308CS..Hα-helixtrans-47.8-48.6-174.6-33.636.7000114.6P175 R218 A219 L220P175-P216 HydrophobicContact CG-CB 4.08Å; P216-R218 VanDerWaalsContact C-N 3.28Å; P216-R218 PolarHBondContact O-N 3.1Å; P216-A219 WeakPolarHBondContact O-CB 3.46Å; P216-A219 PolarHBondContact O-N 3.09Å; P216-A219 VanDerWaalsContact O-N 3.1Å; P216-L220 PolarHBondContact O-N 3.22Å
217M85.3Confident93Very high93 Ų9363.1 Ų63.146%0.45834%0.336SS..Hα-helixtrans-57.8-38177.6-69.5-64.8-71.300113.4I172 H215 L220 F221I172-M217 HydrophobicContact CD1-SD 4.33Å; H215-M217 VanDerWaalsContact C-N 3.34Å; H215-M217 PolarHBondContact ND1-N 3.03Å; H215-M217 PolarHBondContact O-N 3.41Å; H215-M217 VanDerWaalsContact O-N 3.17Å; M217-L220 HydrophobicContact SD-CD1 4.2Å; M217-F221 WeakPolarHBondContact O-CD2 3.31Å
218R90.6Very high93Very high159 Ų15963.4 Ų63.460%0.633%0.334SS*.Hα-helixtrans-73.4-37.9177.9180174.5174.8174.71.9110.9I214 H215 P216 L220 F221 M222I214-R218 HydrophobicContact CG2-CB 3.84Å; I214-R218 HydrophobicContact CG2-CG 3.77Å; H215-R218 WeakPolarHBondContact O-CA 3.43Å; H215-R218 WeakPolarHBondContact O-CB 3.08Å; H215-R218 PolarHBondContact O-N 3.36Å; P216-R218 VanDerWaalsContact C-N 3.28Å; P216-R218 PolarHBondContact O-N 3.1Å; R218-L220 VanDerWaalsContact C-N 3.33Å; R218-L220 PolarHBondContact O-N 3.13Å; R218-F221 PolarHBondContact O-N 2.94Å; R218-M222 HydrophobicContact CG-CG 4.41Å; R218-M222 HydrophobicContact CG-SD 3.74Å; R218-M222 WeakPolarHBondContact O-CG 3.34Å; R218-M222 PolarHBondContact O-N 2.97Å; R218-M222 VanDerWaalsContact O-N 3.09Å
219A91.2Very high93.1Very high0 Ų062.2 Ų62.20%033%0.333CS..Hα-helixtrans-61-40.6174.900000112P175 Y176 L211 H215 P216 F221 M222 I223P175-A219 HydrophobicContact CG-CB 4.09Å; Y176-A219 HydrophobicContact CD1-CB 3.8Å; Y176-A219 HydrophobicContact CE1-CB 3.6Å; L211-A219 HydrophobicContact CB-CB 4.35Å; L211-A219 HydrophobicContact CD1-CB 4.31Å; H215-A219 PolarHBondContact O-N 3.48Å; P216-A219 WeakPolarHBondContact O-CB 3.46Å; P216-A219 PolarHBondContact O-N 3.09Å; P216-A219 VanDerWaalsContact O-N 3.1Å; A219-F221 PolarHBondContact O-N 3.08Å; A219-M222 PolarHBondContact O-N 3.34Å; A219-I223 VanDerWaalsContact O-CG1 3.3Å; A219-I223 WeakPolarHBondContact O-CG1 3.49Å; A219-I223 PolarHBondContact O-N 3.32Å
220L88.5Confident93Very high22 Ų2265.1 Ų65.112%0.11536%0.358CS..Hα-helixtrans-55.2-36.8174.4-74.8169.2000113.2I172 P175 M178 I183 P216 M217 R218 P224I172-L220 HydrophobicContact CB-CD1 4.18Å; I172-L220 HydrophobicContact CD1-CD1 3.71Å; I172-L220 HydrophobicContact CG2-CD1 3.87Å; I172-L220 HydrophobicContact CG2-CD2 4.44Å; P175-L220 HydrophobicContact CB-CD2 3.5Å; P175-L220 HydrophobicContact CB-CG 3.82Å; P175-L220 HydrophobicContact CG-CD2 4.31Å; P175-L220 HydrophobicContact CG-CG 4.07Å; M178-L220 HydrophobicContact SD-CD2 4.16Å; I183-L220 HydrophobicContact CD1-CD2 4.05Å; I183-L220 HydrophobicContact CG1-CD2 3.92Å; I183-L220 HydrophobicContact CG2-CD2 4.12Å; P216-L220 PolarHBondContact O-N 3.22Å; M217-L220 HydrophobicContact SD-CD1 4.2Å; R218-L220 VanDerWaalsContact C-N 3.33Å; R218-L220 PolarHBondContact O-N 3.13Å; L220-P224 WeakPolarHBondContact O-CD 3.47Å
221F89.4Confident93Very high155 Ų15564.4 Ų64.468%0.6835%0.353SS*.Hα-helixtrans-77.1-34.5175-69.7-70.7000113M217 R218 A219 S225M217-F221 WeakPolarHBondContact O-CD2 3.31Å; R218-F221 PolarHBondContact O-N 2.94Å; A219-F221 PolarHBondContact O-N 3.08Å; F221-S225 WeakPolarHBondContact O-CB 3.25Å; F221-S225 PolarHBondContact O-OG 2.74Å
222M94.3Very high93Very high25 Ų2569 Ų6912%0.12337%0.367CS..Hα-helixtrans-73.8-41.2-176.8-71.4171.169.700112.1L211 I214 R218 A219 S225 Q226L211-M222 HydrophobicContact CD1-CB 4.03Å; L211-M222 HydrophobicContact CD1-CE 4.48Å; L211-M222 HydrophobicContact CD2-CE 3.5Å; L211-M222 HydrophobicContact CD2-SD 4.43Å; I214-M222 HydrophobicContact CG2-SD 4.09Å; R218-M222 HydrophobicContact CG-CG 4.41Å; R218-M222 HydrophobicContact CG-SD 3.74Å; R218-M222 WeakPolarHBondContact O-CG 3.34Å; R218-M222 PolarHBondContact O-N 2.97Å; R218-M222 VanDerWaalsContact O-N 3.09Å; A219-M222 PolarHBondContact O-N 3.34Å; M222-S225 PolarHBondContact O-N 3.38Å; M222-S225 PolarHBondContact O-OG 2.74Å; M222-Q226 HydrophobicContact CB-CG 4.24Å; M222-Q226 VanDerWaalsContact O-CB 3.31Å; M222-Q226 WeakPolarHBondContact O-CB 3.26Å; M222-Q226 WeakPolarHBondContact O-CG 3.36Å; M222-Q226 PolarHBondContact O-N 2.79Å
223I94Very high93.1Very high15 Ų1574.3 Ų74.38%0.07739%0.386CS..Hα-helixtrans-56.9-46.4-173.6-69.6160.4000112.3P175 P180 I183 W195 L211 A219 K251P175-I223 VanDerWaalsContact O-CD1 3.28Å; P175-I223 WeakPolarHBondContact O-CD1 3.36Å; P180-I223 HydrophobicContact CG-CG2 4.3Å; I183-I223 HydrophobicContact CD1-CB 3.62Å; I183-I223 HydrophobicContact CD1-CD1 3.75Å; I183-I223 HydrophobicContact CD1-CG1 4.3Å; I183-I223 HydrophobicContact CD1-CG2 3.55Å; W195-I223 HydrophobicContact CZ2-CG2 4.23Å; L211-I223 HydrophobicContact CD1-CG1 4.02Å; A219-I223 VanDerWaalsContact O-CG1 3.3Å; A219-I223 WeakPolarHBondContact O-CG1 3.49Å; A219-I223 PolarHBondContact O-N 3.32Å; I223-K251 PolarHBondContact O-NZ 3.1Å
224P92.7Very high93.2Very high26 Ų2671.5 Ų71.517%0.16937%0.374CS..Hα-helixtrans-75.9-32.1177.7-18.133.4000113.6P180 I183 Q184 L220 K251P180-P224 HydrophobicContact CB-CB 4.43Å; I183-P224 HydrophobicContact CB-CG 4.05Å; I183-P224 HydrophobicContact CD1-CG 4.29Å; I183-P224 HydrophobicContact CG2-CG 3.75Å; Q184-P224 HydrophobicContact CG-CB 4.04Å; Q184-P224 HydrophobicContact CG-CG 4.21Å; L220-P224 WeakPolarHBondContact O-CD 3.47Å; P224-K251 VanDerWaalsContact C-NZ 3.26Å; P224-K251 PolarHBondContact O-NZ 3.01Å
225S93.2Very high93.4Very high93 Ų9374.4 Ų74.465%0.6540%0.398SS*.Hα-helixtrans-87.2-29.2-171.959.90000114.7F221 M222F221-S225 WeakPolarHBondContact O-CB 3.25Å; F221-S225 PolarHBondContact O-OG 2.74Å; M222-S225 PolarHBondContact O-N 3.38Å; M222-S225 PolarHBondContact O-OG 2.74Å
226Q95.2Very high93.8Very high87 Ų8773.3 Ų73.341%0.40740%0.397SS..SBendtrans-85.9158.1-178.6-65.5-166-19.300112.2M222 K251M222-Q226 HydrophobicContact CB-CG 4.24Å; M222-Q226 VanDerWaalsContact O-CB 3.31Å; M222-Q226 WeakPolarHBondContact O-CB 3.26Å; M222-Q226 WeakPolarHBondContact O-CG 3.36Å; M222-Q226 PolarHBondContact O-N 2.79Å; Q226-K251 PolarHBondContact O-NZ 3.1Å
227P96.5Very high94.2Very high118 Ų11873.8 Ų73.877%0.76640%0.395SS*.PPolyproline II helixtrans-53.2157.7165.6-23.834.4000111.7
228A97.3Very high94.8Very high45 Ų4570.9 Ų70.937%0.37238%0.383SS..PPolyproline II helixtrans-55.8137.6174.100000110.6L249A228-L249 HydrophobicContact CB-CB 4.1Å; A228-L249 VanDerWaalsContact CB-O 3.23Å; A228-L249 WeakPolarHBondContact CB-O 3.21Å
229P97.4Very high95.1Very high41 Ų4168.6 Ų68.627%0.26638%0.383SS..PPolyproline II helixtrans-69.3159.6179.928.2-31.5000111.1I199 I202 P210 L249I199-P229 HydrophobicContact CD1-CG 3.71Å; I202-P229 HydrophobicContact CD1-CG 4.48Å; P210-P229 HydrophobicContact CB-CB 3.77Å; P210-P229 HydrophobicContact CB-CG 4.2Å; P210-P229 HydrophobicContact CG-CB 3.67Å; P210-P229 HydrophobicContact CG-CG 3.89Å; P229-L249 HydrophobicContact CG-CD1 3.96Å; P229-L249 WeakPolarHBondContact O-CD1 3.23Å
230A95.4Very high95.5Very high70 Ų7072.6 Ų72.658%0.57940%0.401SS*.  trans-131.2166.5174.900000109.8
231L97.7Very high96Very high11 Ų1171.6 Ų71.66%0.05840%0.396CS..  trans-56145.1172.8-69.1158.3000111I202 A205 K233 P234 W237 F241 R242 I245I202-L231 HydrophobicContact CG1-CD2 4.24Å; I202-L231 HydrophobicContact CG2-CD2 4.44Å; A205-L231 HydrophobicContact CB-CD2 3.58Å; L231-K233 VanDerWaalsContact C-N 3.28Å; L231-K233 PolarHBondContact O-N 3.01Å; L231-P234 VanDerWaalsContact O-CD 3.28Å; L231-P234 WeakPolarHBondContact O-CD 3.45Å; L231-P234 WeakPolarHBondContact O-CG 3.43Å; L231-W237 HydrophobicContact CD1-CB 3.99Å; L231-W237 HydrophobicContact CD1-CD2 4.45Å; L231-W237 HydrophobicContact CD1-CG 3.74Å; L231-F241 HydrophobicContact CD1-CD1 4.33Å; L231-F241 HydrophobicContact CD1-CE1 4.25Å; L231-F241 HydrophobicContact CD2-CE1 4.43Å; L231-R242 HydrophobicContact CD1-CG 4.1Å; L231-I245 HydrophobicContact CD1-CD1 3.66Å; L231-I245 HydrophobicContact CD2-CD1 3.99Å; L231-I245 HydrophobicContact CG-CD1 3.8Å
232R96.3Very high96.4Very high141 Ų14169 Ų6953%0.53238%0.382SS..SBendtrans-59-37.7-180-72.3170.2-174.9-141.8-11.9113.4D206 K208 D213D206-R232 HydrophobicContact CB-CG 4.47Å; D206-R232 WeakPolarHBondContact OD2-CG 3.32Å; D206-R232 PolarHBondContact OD2-N 3.38Å; K208-R232 VanDerWaalsContact CD-NH2 3.33Å; D213-R232 IonicContact OD2-NH2 2.79Å
233K96.1Very high96.5Very high136 Ų13670.4 Ų70.459%0.59140%0.398SS*.SBendtrans-130.278179-65.6-179-177.91760110.1L231 S235 N236 W237L231-K233 VanDerWaalsContact C-N 3.28Å; L231-K233 PolarHBondContact O-N 3.01Å; K233-S235 PolarHBondContact O-N 3.27Å; K233-S235 VanDerWaalsContact O-N 3.07Å; K233-N236 HydrophobicContact CB-CB 4.49Å; K233-N236 WeakPolarHBondContact O-CB 3.31Å; K233-N236 PolarHBondContact O-N 3.45Å; K233-W237 VanDerWaalsContact O-CD1 3.3Å
234P96.1Very high96.8Very high55 Ų5569.9 Ų69.936%0.35740%0.395SS..G310 helixtrans-57.6-27.4-174.3-25.935.5000114.3L231 N236 W237 R242L231-P234 VanDerWaalsContact O-CD 3.28Å; L231-P234 WeakPolarHBondContact O-CD 3.45Å; L231-P234 WeakPolarHBondContact O-CG 3.43Å; P234-N236 PolarHBondContact O-N 3.06Å; P234-W237 PolarHBondContact O-N 3.41Å; P234-R242 WeakPolarHBondContact O-CD 3.27Å
235S96.4Very high97Very high108 Ų10869 Ų6976%0.75539%0.389SS*.G310 helixtrans-64.7-17177.654.80000114.6K233 W237K233-S235 PolarHBondContact O-N 3.27Å; K233-S235 VanDerWaalsContact O-N 3.07Å; S235-W237 VanDerWaalsContact C-N 3.28Å
236N96.7Very high97.3Very high109 Ų10967.8 Ų67.858%0.58338%0.384SS*.G310 helixtrans-83.7-5.9-178.8-68.39.4000113.1K233 P234K233-N236 HydrophobicContact CB-CB 4.49Å; K233-N236 WeakPolarHBondContact O-CB 3.31Å; K233-N236 PolarHBondContact O-N 3.45Å; P234-N236 PolarHBondContact O-N 3.06Å
237W97.8Very high97.4Very high41 Ų4165.4 Ų65.416%0.15538%0.379CS..SBendtrans-127.5149.3-167.6-58.299.7000110.5E110 I113 A205 L231 K233 P234 S235 F241 R242E110-W237 HydrophobicContact CB-CE3 3.95Å; E110-W237 HydrophobicContact CB-CZ3 3.84Å; E110-W237 HydrophobicContact CG-CE3 4.21Å; E110-W237 HydrophobicContact CG-CZ3 4.47Å; I113-W237 HydrophobicContact CD1-CH2 4.26Å; I113-W237 HydrophobicContact CD1-CZ3 4.16Å; A205-W237 HydrophobicContact CB-CH2 3.63Å; A205-W237 HydrophobicContact CB-CZ2 3.49Å; A205-W237 VanDerWaalsContact CB-CZ2 3.49Å; A205-W237 HydrophobicContact CB-CZ3 4.31Å; L231-W237 HydrophobicContact CD1-CB 3.99Å; L231-W237 HydrophobicContact CD1-CD2 4.45Å; L231-W237 HydrophobicContact CD1-CG 3.74Å; K233-W237 VanDerWaalsContact O-CD1 3.3Å; P234-W237 PolarHBondContact O-N 3.41Å; S235-W237 VanDerWaalsContact C-N 3.28Å; W237-F241 HydrophobicContact CB-CD1 4.01Å; W237-F241 AromaticContact CD2-CD1 3.94Å; W237-F241 HydrophobicContact CD2-CD1 3.94Å; W237-F241 AromaticContact CD2-CE1 3.92Å; W237-F241 HydrophobicContact CD2-CE1 3.92Å; W237-F241 AromaticContact CE3-CD1 3.55Å; W237-F241 HydrophobicContact CE3-CD1 3.55Å; W237-F241 AromaticContact CE3-CE1 3.56Å; W237-F241 HydrophobicContact CE3-CE1 3.56Å; W237-F241 HydrophobicContact CG-CD1 4.16Å; W237-F241 HydrophobicContact CG-CE1 4.44Å; W237-F241 HydrophobicContact CZ3-CD1 4.3Å; W237-F241 AromaticContact CZ3-CE1 3.94Å; W237-F241 HydrophobicContact CZ3-CE1 3.94Å; W237-R242 HydrophobicContact CB-CG 4.39Å; W237-R242 PolarHBondContact O-NE 3.47Å
238S98.2Very high97.5Very high31 Ų3159.8 Ų59.822%0.21734%0.343CS..  trans-59.6164.6-178.276.40000112.8E110 E240 F241 R242E110-S238 WeakPolarHBondContact OE1-CB 3.3Å; E110-S238 PolarHBondContact OE1-OG 2.99Å; E110-S238 PolarHBondContact OE2-N 3.3Å; S238-E240 VanDerWaalsContact C-N 3.27Å; S238-E240 VanDerWaalsContact CB-OE2 3.26Å; S238-E240 WeakPolarHBondContact CB-OE2 3.44Å; S238-E240 PolarHBondContact OG-N 3.12Å; S238-E240 PolarHBondContact OG-OE2 3.01Å; S238-F241 WeakPolarHBondContact OG-CB 3.41Å; S238-F241 PolarHBondContact OG-N 3.36Å; S238-R242 WeakPolarHBondContact O-CG 3.43Å; S238-R242 PolarHBondContact O-N 3.43Å; S238-R242 PolarHBondContact O-NE 2.98Å; S238-R242 VanDerWaalsContact O-NE 3.12Å
239L97.7Very high97.6Very high111 Ų11157.8 Ų57.858%0.58133%0.326SS*.Hα-helixtrans-68.6-35.6174.8-179.362.6000110.5R242 A243L239-R242 PolarHBondContact O-N 3.26Å; L239-A243 VanDerWaalsContact O-CB 3.26Å; L239-A243 WeakPolarHBondContact O-CB 3.42Å; L239-A243 PolarHBondContact O-N 2.84Å
240E98.2Very high97.6Very high85 Ų8556.8 Ų56.840%0.39732%0.321SS..Hα-helixtrans-63.8-47.4-178.6-62.775.3-171.700110.6S238 A243 F244 E266 F267S238-E240 VanDerWaalsContact C-N 3.27Å; S238-E240 VanDerWaalsContact CB-OE2 3.26Å; S238-E240 WeakPolarHBondContact CB-OE2 3.44Å; S238-E240 PolarHBondContact OG-N 3.12Å; S238-E240 PolarHBondContact OG-OE2 3.01Å; E240-A243 PolarHBondContact O-N 2.88Å; E240-F244 WeakPolarHBondContact O-CB 3.38Å; E240-F244 PolarHBondContact O-N 2.66Å; E240-E266 HydrophobicContact CG-CB 4.47Å; E240-F267 HydrophobicContact CB-CB 4.17Å; E240-F267 HydrophobicContact CB-CD2 4.47Å
241F98.5Very high97.5Very high0 Ų056.6 Ų56.60%031%0.307CS..Hα-helixtrans-66.3-42.3177.4-176.1-148.3000111.9E110 I113 A201 A205 L231 W237 S238 A243 F244 I245 F267E110-F241 HydrophobicContact CG-CB 4.23Å; E110-F241 HydrophobicContact CG-CD1 4.04Å; E110-F241 HydrophobicContact CG-CG 4.23Å; I113-F241 HydrophobicContact CD1-CE1 4.28Å; I113-F241 HydrophobicContact CD1-CZ 4.07Å; I113-F241 HydrophobicContact CG2-CE2 3.82Å; I113-F241 HydrophobicContact CG2-CZ 3.84Å; A201-F241 HydrophobicContact CB-CE2 4.04Å; A201-F241 HydrophobicContact CB-CZ 4.31Å; A205-F241 HydrophobicContact CB-CE1 4.06Å; A205-F241 HydrophobicContact CB-CZ 4.24Å; L231-F241 HydrophobicContact CD1-CD1 4.33Å; L231-F241 HydrophobicContact CD1-CE1 4.25Å; L231-F241 HydrophobicContact CD2-CE1 4.43Å; W237-F241 HydrophobicContact CB-CD1 4.01Å; W237-F241 AromaticContact CD2-CD1 3.94Å; W237-F241 HydrophobicContact CD2-CD1 3.94Å; W237-F241 AromaticContact CD2-CE1 3.92Å; W237-F241 HydrophobicContact CD2-CE1 3.92Å; W237-F241 AromaticContact CE3-CD1 3.55Å; W237-F241 HydrophobicContact CE3-CD1 3.55Å; W237-F241 AromaticContact CE3-CE1 3.56Å; W237-F241 HydrophobicContact CE3-CE1 3.56Å; W237-F241 HydrophobicContact CG-CD1 4.16Å; W237-F241 HydrophobicContact CG-CE1 4.44Å; W237-F241 HydrophobicContact CZ3-CD1 4.3Å; W237-F241 AromaticContact CZ3-CE1 3.94Å; W237-F241 HydrophobicContact CZ3-CE1 3.94Å; S238-F241 WeakPolarHBondContact OG-CB 3.41Å; S238-F241 PolarHBondContact OG-N 3.36Å; F241-A243 VanDerWaalsContact C-N 3.34Å; F241-A243 PolarHBondContact O-N 3.27Å; F241-F244 WeakPolarHBondContact O-CB 3.47Å; F241-F244 PolarHBondContact O-N 3Å; F241-I245 HydrophobicContact CD1-CD1 4.44Å; F241-I245 HydrophobicContact CD2-CD1 4.05Å; F241-I245 HydrophobicContact CD2-CG1 4.2Å; F241-I245 HydrophobicContact CE1-CD1 4.06Å; F241-I245 HydrophobicContact CE2-CD1 3.65Å; F241-I245 HydrophobicContact CE2-CG1 3.91Å; F241-I245 HydrophobicContact CG-CD1 4.44Å; F241-I245 HydrophobicContact CZ-CD1 3.65Å; F241-I245 HydrophobicContact CZ-CG1 4.38Å; F241-I245 PolarHBondContact O-N 3.27Å; F241-F267 HydrophobicContact CB-CD2 3.85Å; F241-F267 HydrophobicContact CB-CE2 3.58Å; F241-F267 HydrophobicContact CB-CZ 4.03Å; F241-F267 HydrophobicContact CD2-CD1 4.16Å; F241-F267 HydrophobicContact CD2-CD2 4.39Å; F241-F267 AromaticContact CD2-CE1 3.47Å; F241-F267 HydrophobicContact CD2-CE1 3.47Å; F241-F267 VanDerWaalsContact CD2-CE1 3.47Å; F241-F267 AromaticContact CD2-CE2 3.76Å; F241-F267 HydrophobicContact CD2-CE2 3.76Å; F241-F267 AromaticContact CD2-CZ 3.24Å; F241-F267 HydrophobicContact CD2-CZ 3.24Å; F241-F267 AromaticContact CE2-CE1 3.93Å; F241-F267 HydrophobicContact CE2-CE1 3.93Å; F241-F267 AromaticContact CE2-CZ 3.79Å; F241-F267 HydrophobicContact CE2-CZ 3.79Å; F241-F267 HydrophobicContact CG-CD2 4.48Å; F241-F267 HydrophobicContact CG-CE1 4.37Å; F241-F267 AromaticContact CG-CE2 3.83Å; F241-F267 HydrophobicContact CG-CE2 3.83Å; F241-F267 AromaticContact CG-CZ 3.76Å; F241-F267 HydrophobicContact CG-CZ 3.76Å
242R98.3Very high97.3Very high100 Ų10058.7 Ų58.738%0.37732%0.323SS..Hα-helixtrans-63-40.3175.4-72-175.9-68138.4-0.7112.3L231 P234 W237 S238 L239 I245 A246L231-R242 HydrophobicContact CD1-CG 4.1Å; P234-R242 WeakPolarHBondContact O-CD 3.27Å; W237-R242 HydrophobicContact CB-CG 4.39Å; W237-R242 PolarHBondContact O-NE 3.47Å; S238-R242 WeakPolarHBondContact O-CG 3.43Å; S238-R242 PolarHBondContact O-N 3.43Å; S238-R242 PolarHBondContact O-NE 2.98Å; S238-R242 VanDerWaalsContact O-NE 3.12Å; L239-R242 PolarHBondContact O-N 3.26Å; R242-I245 PolarHBondContact O-N 3.37Å; R242-A246 WeakPolarHBondContact O-CB 3.3Å; R242-A246 PolarHBondContact O-N 2.9Å
243A97.7Very high97.2Very high56 Ų5653 Ų5346%0.46330%0.304SS..Hα-helixtrans-65.5-41.1176.300000111.5L239 E240 F241 A246 A247L239-A243 VanDerWaalsContact O-CB 3.26Å; L239-A243 WeakPolarHBondContact O-CB 3.42Å; L239-A243 PolarHBondContact O-N 2.84Å; E240-A243 PolarHBondContact O-N 2.88Å; F241-A243 VanDerWaalsContact C-N 3.34Å; F241-A243 PolarHBondContact O-N 3.27Å; A243-A246 PolarHBondContact O-N 2.95Å; A243-A247 WeakPolarHBondContact O-CB 3.29Å; A243-A247 PolarHBondContact O-N 3.38Å
244F98.6Very high97.1Very high4 Ų453.9 Ų53.92%0.01831%0.31CS..Hα-helixtrans-58-50.5173.9177.3-86.6000111.9L117 L121 L197 E240 F241 A246 A247 C248 L262 F267 I268L117-F244 HydrophobicContact CD1-CD1 4.43Å; L117-F244 HydrophobicContact CD1-CE1 3.76Å; L117-F244 HydrophobicContact CD1-CZ 4.2Å; L121-F244 HydrophobicContact CD1-CE2 4.06Å; L121-F244 HydrophobicContact CD1-CZ 4.18Å; L197-F244 HydrophobicContact CD2-CZ 4.26Å; E240-F244 WeakPolarHBondContact O-CB 3.38Å; E240-F244 PolarHBondContact O-N 2.66Å; F241-F244 WeakPolarHBondContact O-CB 3.47Å; F241-F244 PolarHBondContact O-N 3Å; F244-A246 PolarHBondContact O-N 2.78Å; F244-A247 PolarHBondContact O-N 3.38Å; F244-C248 PolarHBondContact O-N 3.13Å; F244-C248 VanDerWaalsContact O-N 3.09Å; F244-C248 PolarHBondContact O-SG 3.44Å; F244-L262 HydrophobicContact CD2-CD2 3.98Å; F244-L262 HydrophobicContact CE2-CB 4.12Å; F244-L262 HydrophobicContact CE2-CD1 4.37Å; F244-L262 HydrophobicContact CE2-CD2 3.76Å; F244-L262 HydrophobicContact CE2-CG 4.31Å; F244-L262 HydrophobicContact CZ-CD1 4.45Å; F244-L262 HydrophobicContact CZ-CD2 4.48Å; F244-F267 HydrophobicContact CB-CB 4.29Å; F244-F267 HydrophobicContact CB-CD1 3.93Å; F244-F267 HydrophobicContact CB-CG 4.3Å; F244-F267 HydrophobicContact CD1-CD1 4.2Å; F244-F267 HydrophobicContact CD1-CE1 4.4Å; F244-F267 AromaticContact CD2-CD1 3.97Å; F244-F267 HydrophobicContact CD2-CD1 3.97Å; F244-F267 AromaticContact CG-CD1 3.76Å; F244-F267 HydrophobicContact CG-CD1 3.76Å; F244-F267 HydrophobicContact CG-CE1 4.41Å; F244-I268 HydrophobicContact CD2-CD1 4.33Å; F244-I268 HydrophobicContact CD2-CG1 3.95Å; F244-I268 HydrophobicContact CE2-CD1 3.8Å; F244-I268 HydrophobicContact CE2-CG1 3.56Å; F244-I268 HydrophobicContact CZ-CD1 4.19Å; F244-I268 HydrophobicContact CZ-CG1 4.41Å
245I98.6Very high97.1Very high7 Ų754.3 Ų54.34%0.03632%0.319CS..Hα-helixtrans-60.1-46.9177.5-70.7170000110.6A201 I202 L231 F241 R242 A247 C248 L249A201-I245 HydrophobicContact CB-CD1 4.48Å; A201-I245 HydrophobicContact CB-CG1 4.11Å; I202-I245 HydrophobicContact CD1-CG2 3.96Å; I202-I245 HydrophobicContact CG1-CD1 4.05Å; I202-I245 HydrophobicContact CG1-CG2 4.06Å; L231-I245 HydrophobicContact CD1-CD1 3.66Å; L231-I245 HydrophobicContact CD2-CD1 3.99Å; L231-I245 HydrophobicContact CG-CD1 3.8Å; F241-I245 HydrophobicContact CD1-CD1 4.44Å; F241-I245 HydrophobicContact CD2-CD1 4.05Å; F241-I245 HydrophobicContact CD2-CG1 4.2Å; F241-I245 HydrophobicContact CE1-CD1 4.06Å; F241-I245 HydrophobicContact CE2-CD1 3.65Å; F241-I245 HydrophobicContact CE2-CG1 3.91Å; F241-I245 HydrophobicContact CG-CD1 4.44Å; F241-I245 HydrophobicContact CZ-CD1 3.65Å; F241-I245 HydrophobicContact CZ-CG1 4.38Å; F241-I245 PolarHBondContact O-N 3.27Å; R242-I245 PolarHBondContact O-N 3.37Å; I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 PolarHBondContact O-N 2.87Å; I245-C248 PolarHBondContact O-N 3.23Å; I245-L249 HydrophobicContact CG2-CD1 3.59Å; I245-L249 HydrophobicContact CG2-CG 4.23Å; I245-L249 WeakPolarHBondContact O-CB 3.33Å; I245-L249 WeakPolarHBondContact O-CG 2.98Å; I245-L249 PolarHBondContact O-N 3.37Å
246A98.1Very high97.1Very high67 Ų6749.9 Ų49.955%0.55429%0.285SS*.Hα-helixtrans-60.9-38.3-179.500000112.5R242 A243 F244 L249 A250R242-A246 WeakPolarHBondContact O-CB 3.3Å; R242-A246 PolarHBondContact O-N 2.9Å; A243-A246 PolarHBondContact O-N 2.95Å; F244-A246 PolarHBondContact O-N 2.78Å; A246-L249 PolarHBondContact O-N 3.06Å; A246-A250 PolarHBondContact O-N 2.92Å
247A98.1Very high97.2Very high37 Ų3746.2 Ų46.231%0.30627%0.268SS..Hα-helixtrans-66-43.2175.800000112A243 F244 I245 L249 P257A243-A247 WeakPolarHBondContact O-CB 3.29Å; A243-A247 PolarHBondContact O-N 3.38Å; F244-A247 PolarHBondContact O-N 3.38Å; I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 PolarHBondContact O-N 2.87Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.36Å; A247-P257 HydrophobicContact CB-CG 4.18Å; A247-P257 WeakPolarHBondContact O-CD 3.42Å
248C98.6Very high97.2Very high0 Ų048.6 Ų48.60%029%0.287CS..Hα-helixtrans-64.4-38.1177.2-64.40000112.3I194 F244 I245 A250 R256I194-C248 HydrophobicContact CG2-CB 4.24Å; F244-C248 PolarHBondContact O-N 3.13Å; F244-C248 VanDerWaalsContact O-N 3.09Å; F244-C248 PolarHBondContact O-SG 3.44Å; I245-C248 PolarHBondContact O-N 3.23Å; C248-A250 VanDerWaalsContact C-N 3.3Å; C248-A250 PolarHBondContact O-N 3.42Å; C248-R256 WeakPolarHBondContact O-CD 3.45Å
249L98.5Very high97.2Very high3 Ų347.2 Ų47.22%0.01628%0.277CS..THydrogen-bonded Turntrans-92.524.9-174.4-59-178.6000113.8W195 I199 I202 A228 P229 I245 A246 A247 K251W195-L249 HydrophobicContact CD2-CD2 3.91Å; W195-L249 HydrophobicContact CE3-CB 4.48Å; W195-L249 HydrophobicContact CE3-CD2 4.1Å; W195-L249 HydrophobicContact CG-CD2 4.31Å; W195-L249 HydrophobicContact CZ2-CD2 4.44Å; W195-L249 HydrophobicContact CZ3-CB 4.28Å; W195-L249 HydrophobicContact CZ3-CD2 4.43Å; W195-L249 WeakPolarHBondContact CZ3-O 3.49Å; I199-L249 HydrophobicContact CD1-CD1 4.29Å; I199-L249 HydrophobicContact CD1-CD2 3.7Å; I199-L249 HydrophobicContact CG1-CD2 3.93Å; I202-L249 HydrophobicContact CD1-CD1 3.72Å; A228-L249 HydrophobicContact CB-CB 4.1Å; A228-L249 VanDerWaalsContact CB-O 3.23Å; A228-L249 WeakPolarHBondContact CB-O 3.21Å; P229-L249 HydrophobicContact CG-CD1 3.96Å; P229-L249 WeakPolarHBondContact O-CD1 3.23Å; I245-L249 HydrophobicContact CG2-CD1 3.59Å; I245-L249 HydrophobicContact CG2-CG 4.23Å; I245-L249 WeakPolarHBondContact O-CB 3.33Å; I245-L249 WeakPolarHBondContact O-CG 2.98Å; I245-L249 PolarHBondContact O-N 3.37Å; A246-L249 PolarHBondContact O-N 3.06Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.36Å; L249-K251 PolarHBondContact O-N 2.83Å
250A97.3Very high97.2Very high21 Ų2143.8 Ų43.817%0.17427%0.265CS..  trans-62127.4168.700000110A246 C248 S252 A255 R256A246-A250 PolarHBondContact O-N 2.92Å; C248-A250 VanDerWaalsContact C-N 3.3Å; C248-A250 PolarHBondContact O-N 3.42Å; A250-S252 PolarHBondContact O-N 3.23Å; A250-A255 HydrophobicContact CB-CB 3.92Å; A250-R256 HydrophobicContact CB-CG 3.9Å; A250-R256 PolarHBondContact O-NE 2.76Å; A250-R256 PolarHBondContact O-NH2 3.44Å
251K94.8Very high97.2Very high66 Ų6642 Ų4229%0.28726%0.264SS..SBendtrans-64.8-41.3-175.8-68.7-71.9-62.7-142.60112.4P180 W195 I223 P224 Q226 L249 R256P180-K251 HydrophobicContact CG-CD 3.99Å; W195-K251 HydrophobicContact CH2-CD 3.8Å; W195-K251 HydrophobicContact CZ3-CD 3.94Å; I223-K251 PolarHBondContact O-NZ 3.1Å; P224-K251 VanDerWaalsContact C-NZ 3.26Å; P224-K251 PolarHBondContact O-NZ 3.01Å; Q226-K251 PolarHBondContact O-NZ 3.1Å; L249-K251 PolarHBondContact O-N 2.83Å; K251-R256 PolarHBondContact O-NH2 2.93Å
252S93.7Very high97.3Very high54 Ų5442 Ų4238%0.37827%0.265SS..SBendtrans-74.2125.5171.2153.70000109A250 E254 A255A250-S252 PolarHBondContact O-N 3.23Å; S252-E254 PolarHBondContact O-N 3.4Å; S252-E254 PolarHBondContact OG-N 3.31Å; S252-E254 PolarHBondContact OG-OE2 2.83Å; S252-A255 PolarHBondContact O-N 3.17Å
253P93.8Very high97.3Very high23 Ų2338.2 Ų38.215%0.14925%0.252CS..G310 helixtrans-63.3-30.4179.423.4-31.4000112.5E181 S191 A255 R256E181-P253 HydrophobicContact CG-CB 4.42Å; E181-P253 HydrophobicContact CG-CG 4.32Å; S191-P253 VanDerWaalsContact OG-CB 3.24Å; S191-P253 WeakPolarHBondContact OG-CB 3.13Å; P253-A255 VanDerWaalsContact C-N 3.26Å; P253-A255 PolarHBondContact O-N 3.14Å; P253-R256 PolarHBondContact O-N 3.29Å
254E93.7Very high97.3Very high153 Ų15339.2 Ų39.272%0.71525%0.247SC*.G310 helixtrans-68.8-24.5177.9-55.576.9-166.400113S252 R256S252-E254 PolarHBondContact O-N 3.4Å; S252-E254 PolarHBondContact OG-N 3.31Å; S252-E254 PolarHBondContact OG-OE2 2.83Å; E254-R256 VanDerWaalsContact C-N 3.34Å
255A96.2Very high97.3Very high65 Ų6541 Ų4154%0.53726%0.258SS..G310 helixtrans-83.9-10.317700000112.9A250 S252 P253A250-A255 HydrophobicContact CB-CB 3.92Å; S252-A255 PolarHBondContact O-N 3.17Å; P253-A255 VanDerWaalsContact C-N 3.26Å; P253-A255 PolarHBondContact O-N 3.14Å
256R97.2Very high97.2Very high14 Ų1446 Ų465%0.05328%0.282CS..SBendtrans-78.1134.5177.1-64.6-179.5-153.7142.512.9110.1E181 S191 I194 C248 A250 K251 P253 E254E181-R256 IonicContact OE1-CZ 3.8Å; E181-R256 IonicContact OE1-NH1 3.55Å; E181-R256 PolarHBondContact OE1-NH1 3.27Å; E181-R256 IonicContact OE1-NH2 3.9Å; E181-R256 PolarHBondContact OE1-NH2 3.09Å; E181-R256 IonicContact OE2-CZ 3.88Å; E181-R256 IonicContact OE2-NH1 2.89Å; E181-R256 PolarHBondContact OE2-NH1 3.31Å; E181-R256 IonicContact OE2-NH2 3.77Å; E181-R256 PolarHBondContact OE2-NH2 2.76Å; S191-R256 PolarHBondContact O-NH1 3.18Å; I194-R256 HydrophobicContact CG2-CB 4.32Å; C248-R256 WeakPolarHBondContact O-CD 3.45Å; A250-R256 HydrophobicContact CB-CG 3.9Å; A250-R256 PolarHBondContact O-NE 2.76Å; A250-R256 PolarHBondContact O-NH2 3.44Å; K251-R256 PolarHBondContact O-NH2 2.93Å; P253-R256 PolarHBondContact O-N 3.29Å; E254-R256 VanDerWaalsContact C-N 3.34Å
257P97.8Very high97.2Very high33 Ų3343.4 Ų43.421%0.21426%0.258CS..PPolyproline II helixtrans-65.3156.2172.729.1-34.8000111.2A247 A261 L262A247-P257 HydrophobicContact CB-CG 4.18Å; A247-P257 WeakPolarHBondContact O-CD 3.42Å; P257-A261 HydrophobicContact CB-CB 3.99Å; P257-L262 HydrophobicContact CB-CD2 4.17Å; P257-L262 HydrophobicContact CB-CG 4.04Å; P257-L262 HydrophobicContact CG-CD1 4.1Å; P257-L262 HydrophobicContact CG-CD2 3.39Å; P257-L262 HydrophobicContact CG-CG 3.58Å
258T98.1Very high97.2Very high91 Ų9141.8 Ų41.856%0.55824%0.244SC*.PPolyproline II helixtrans-73.5163.9169.561.60000110.8A260 A261 L262T258-A260 VanDerWaalsContact C-N 3.29Å; T258-A260 PolarHBondContact O-N 2.72Å; T258-A261 PolarHBondContact O-N 3.06Å; T258-A261 VanDerWaalsContact O-N 3.08Å; T258-A261 PolarHBondContact OG1-N 3.3Å; T258-L262 PolarHBondContact O-N 3.13Å
259A98.3Very high97.2Very high1 Ų148.7 Ų48.71%0.00827%0.27CS..Hα-helixtrans-55.2-45.7173.500000111.7L121 L124 D125 I194 A261 L262 L263L121-A259 HydrophobicContact CD2-CB 4.11Å; L124-A259 HydrophobicContact CB-CB 4.09Å; D125-A259 HydrophobicContact CB-CB 3.88Å; I194-A259 HydrophobicContact CD1-CB 4.16Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3Å; A259-L262 PolarHBondContact O-N 3.34Å; A259-L262 VanDerWaalsContact O-N 3.15Å; A259-L263 WeakPolarHBondContact O-CG 3.39Å; A259-L263 PolarHBondContact O-N 2.95Å
260A98.1Very high97.1Very high40 Ų4054.1 Ų54.133%0.33130%0.299SS..Hα-helixtrans-56.7-38.5174.500000113.8T258T258-A260 VanDerWaalsContact C-N 3.29Å; T258-A260 PolarHBondContact O-N 2.72Å
261A98.3Very high97.1Very high46 Ų4654.4 Ų54.438%0.3830%0.301SS..Hα-helixtrans-72.4-37.617700000112.1P257 T258 A259 L263 Q264P257-A261 HydrophobicContact CB-CB 3.99Å; T258-A261 PolarHBondContact O-N 3.06Å; T258-A261 VanDerWaalsContact O-N 3.08Å; T258-A261 PolarHBondContact OG1-N 3.3Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3Å; A261-L263 VanDerWaalsContact C-N 3.33Å; A261-L263 PolarHBondContact O-N 2.83Å; A261-Q264 WeakPolarHBondContact O-CB 3.4Å; A261-Q264 PolarHBondContact O-N 3.43Å; A261-Q264 VanDerWaalsContact O-N 3.13Å
262L98.7Very high97.3Very high1 Ų155.9 Ų55.91%0.00531%0.307CS..Hα-helixtrans-65.4-34.6176.5-75.6174.6000112.8L121 I194 F244 P257 T258 A259 Q264 T265L121-L262 HydrophobicContact CD1-CB 3.87Å; L121-L262 HydrophobicContact CD2-CB 3.75Å; L121-L262 HydrophobicContact CD2-CD1 3.83Å; L121-L262 HydrophobicContact CD2-CG 4.46Å; L121-L262 HydrophobicContact CG-CB 4.5Å; I194-L262 HydrophobicContact CD1-CD1 4.16Å; I194-L262 HydrophobicContact CG2-CD1 3.76Å; F244-L262 HydrophobicContact CD2-CD2 3.98Å; F244-L262 HydrophobicContact CE2-CB 4.12Å; F244-L262 HydrophobicContact CE2-CD1 4.37Å; F244-L262 HydrophobicContact CE2-CD2 3.76Å; F244-L262 HydrophobicContact CE2-CG 4.31Å; F244-L262 HydrophobicContact CZ-CD1 4.45Å; F244-L262 HydrophobicContact CZ-CD2 4.48Å; P257-L262 HydrophobicContact CB-CD2 4.17Å; P257-L262 HydrophobicContact CB-CG 4.04Å; P257-L262 HydrophobicContact CG-CD1 4.1Å; P257-L262 HydrophobicContact CG-CD2 3.39Å; P257-L262 HydrophobicContact CG-CG 3.58Å; T258-L262 PolarHBondContact O-N 3.13Å; A259-L262 PolarHBondContact O-N 3.34Å; A259-L262 VanDerWaalsContact O-N 3.15Å; L262-Q264 PolarHBondContact O-N 3.25Å; L262-Q264 VanDerWaalsContact O-N 3.13Å; L262-T265 HydrophobicContact CD2-CG2 4.21Å; L262-T265 WeakPolarHBondContact O-CB 3.36Å; L262-T265 WeakPolarHBondContact O-CG2 3.36Å; L262-T265 PolarHBondContact O-N 3.39Å; L262-T265 PolarHBondContact O-OG1 2.89Å
263L98.5Very high97.5Very high20 Ų2057.1 Ų57.111%0.10532%0.315CS..THydrogen-bonded Turntrans-57.9-23172.7-73.6169.4000113L121 D125 A259 A261 I268 R269L121-L263 HydrophobicContact CB-CD2 3.59Å; L121-L263 HydrophobicContact CB-CG 3.92Å; L121-L263 HydrophobicContact CD1-CD2 4.3Å; D125-L263 HydrophobicContact CB-CD1 4.49Å; A259-L263 WeakPolarHBondContact O-CG 3.39Å; A259-L263 PolarHBondContact O-N 2.95Å; A261-L263 VanDerWaalsContact C-N 3.33Å; A261-L263 PolarHBondContact O-N 2.83Å; L263-I268 HydrophobicContact CD2-CG2 4.05Å; L263-R269 WeakPolarHBondContact O-CG 3.37Å
264Q98.1Very high97.6Very high78 Ų7857.3 Ų57.336%0.36432%0.316SS..THydrogen-bonded Turntrans-89.6-5178.9-57.4-56.3-42.400114.3A261 L262 R269 A476A261-Q264 WeakPolarHBondContact O-CB 3.4Å; A261-Q264 PolarHBondContact O-N 3.43Å; A261-Q264 VanDerWaalsContact O-N 3.13Å; L262-Q264 PolarHBondContact O-N 3.25Å; L262-Q264 VanDerWaalsContact O-N 3.13Å; Q264-R269 WeakPolarHBondContact O-CD 3.32Å; Q264-R269 PolarHBondContact O-NE 3.49Å; Q264-A476 PolarHBondContact NE2-O 2.87Å
265T98Very high97.7Very high41 Ų4153.3 Ų53.325%0.25231%0.305SS..SBendtrans-67.6150.617961.20000111L262 F267 I268 R269L262-T265 HydrophobicContact CD2-CG2 4.21Å; L262-T265 WeakPolarHBondContact O-CB 3.36Å; L262-T265 WeakPolarHBondContact O-CG2 3.36Å; L262-T265 PolarHBondContact O-N 3.39Å; L262-T265 PolarHBondContact O-OG1 2.89Å; T265-F267 PolarHBondContact O-N 3.45Å; T265-I268 PolarHBondContact O-N 3.12Å; T265-I268 WeakPolarHBondContact OG1-CG1 3.37Å; T265-R269 WeakPolarHBondContact O-CB 3.43Å; T265-R269 WeakPolarHBondContact O-CG 3.45Å; T265-R269 PolarHBondContact O-N 3.15Å
266E97.3Very high97.8Very high113 Ų11352.5 Ų52.553%0.52829%0.291SS..Hα-helixtrans-58.5-38.1178.1-67.5-171.8134.500112.2E240 I268 N270E240-E266 HydrophobicContact CG-CB 4.47Å; E266-I268 VanDerWaalsContact C-N 3.35Å; E266-I268 PolarHBondContact O-N 3.03Å; E266-N270 VanDerWaalsContact O-CB 3.31Å; E266-N270 WeakPolarHBondContact O-CB 3.35Å; E266-N270 VanDerWaalsContact O-CG 3.23Å; E266-N270 PolarHBondContact O-N 3.32Å; E266-N270 VanDerWaalsContact O-N 3.14Å; E266-N270 PolarHBondContact O-ND2 2.99Å
267F98.4Very high97.8Very high12 Ų1251.8 Ų51.85%0.05329%0.288CS..Hα-helixtrans-56.7-45.9176.9-176.4-115.6000112.7E110 I113 A114 L117 E240 F241 F244 T265E110-F267 HydrophobicContact CG-CE2 3.67Å; E110-F267 HydrophobicContact CG-CZ 4.2Å; I113-F267 HydrophobicContact CG2-CZ 4.23Å; A114-F267 HydrophobicContact CB-CE1 4.09Å; A114-F267 HydrophobicContact CB-CE2 3.97Å; A114-F267 HydrophobicContact CB-CZ 3.7Å; L117-F267 HydrophobicContact CD1-CE1 4.01Å; E240-F267 HydrophobicContact CB-CB 4.17Å; E240-F267 HydrophobicContact CB-CD2 4.47Å; F241-F267 HydrophobicContact CB-CD2 3.85Å; F241-F267 HydrophobicContact CB-CE2 3.58Å; F241-F267 HydrophobicContact CB-CZ 4.03Å; F241-F267 HydrophobicContact CD2-CD1 4.16Å; F241-F267 HydrophobicContact CD2-CD2 4.39Å; F241-F267 AromaticContact CD2-CE1 3.47Å; F241-F267 HydrophobicContact CD2-CE1 3.47Å; F241-F267 VanDerWaalsContact CD2-CE1 3.47Å; F241-F267 AromaticContact CD2-CE2 3.76Å; F241-F267 HydrophobicContact CD2-CE2 3.76Å; F241-F267 AromaticContact CD2-CZ 3.24Å; F241-F267 HydrophobicContact CD2-CZ 3.24Å; F241-F267 AromaticContact CE2-CE1 3.93Å; F241-F267 HydrophobicContact CE2-CE1 3.93Å; F241-F267 AromaticContact CE2-CZ 3.79Å; F241-F267 HydrophobicContact CE2-CZ 3.79Å; F241-F267 HydrophobicContact CG-CD2 4.48Å; F241-F267 HydrophobicContact CG-CE1 4.37Å; F241-F267 AromaticContact CG-CE2 3.83Å; F241-F267 HydrophobicContact CG-CE2 3.83Å; F241-F267 AromaticContact CG-CZ 3.76Å; F241-F267 HydrophobicContact CG-CZ 3.76Å; F244-F267 HydrophobicContact CB-CB 4.29Å; F244-F267 HydrophobicContact CB-CD1 3.93Å; F244-F267 HydrophobicContact CB-CG 4.3Å; F244-F267 HydrophobicContact CD1-CD1 4.2Å; F244-F267 HydrophobicContact CD1-CE1 4.4Å; F244-F267 AromaticContact CD2-CD1 3.97Å; F244-F267 HydrophobicContact CD2-CD1 3.97Å; F244-F267 AromaticContact CG-CD1 3.76Å; F244-F267 HydrophobicContact CG-CD1 3.76Å; F244-F267 HydrophobicContact CG-CE1 4.41Å; T265-F267 PolarHBondContact O-N 3.45Å
268I98.6Very high97.8Very high2 Ų252 Ų521%0.0129%0.287CS..Hα-helixtrans-83.4-37-177-60.5-61.7000112.4L117 H118 L121 F244 L263 T265 E266 N270 A271L117-I268 HydrophobicContact CB-CD1 3.82Å; H118-I268 HydrophobicContact CB-CG2 4.08Å; L121-I268 HydrophobicContact CD1-CD1 3.9Å; L121-I268 HydrophobicContact CD1-CG1 3.78Å; L121-I268 HydrophobicContact CD1-CG2 4.2Å; F244-I268 HydrophobicContact CD2-CD1 4.33Å; F244-I268 HydrophobicContact CD2-CG1 3.95Å; F244-I268 HydrophobicContact CE2-CD1 3.8Å; F244-I268 HydrophobicContact CE2-CG1 3.56Å; F244-I268 HydrophobicContact CZ-CD1 4.19Å; F244-I268 HydrophobicContact CZ-CG1 4.41Å; L263-I268 HydrophobicContact CD2-CG2 4.05Å; T265-I268 PolarHBondContact O-N 3.12Å; T265-I268 WeakPolarHBondContact OG1-CG1 3.37Å; E266-I268 VanDerWaalsContact C-N 3.35Å; E266-I268 PolarHBondContact O-N 3.03Å; I268-N270 PolarHBondContact O-N 3.37Å; I268-A271 WeakPolarHBondContact O-CB 3.42Å; I268-A271 PolarHBondContact O-N 3.08Å; I268-A271 VanDerWaalsContact O-N 3.13Å
269R97.5Very high97.7Very high146 Ų14653.5 Ų53.555%0.55129%0.288SS*.Hα-helixtrans-64.2-26.7177.2-71.2-172.2-57.6176.33.5113L263 Q264 T265 A271L263-R269 WeakPolarHBondContact O-CG 3.37Å; Q264-R269 WeakPolarHBondContact O-CD 3.32Å; Q264-R269 PolarHBondContact O-NE 3.49Å; T265-R269 WeakPolarHBondContact O-CB 3.43Å; T265-R269 WeakPolarHBondContact O-CG 3.45Å; T265-R269 PolarHBondContact O-N 3.15Å; R269-A271 VanDerWaalsContact C-N 3.35Å
270N97Very high97.6Very high116 Ų11653.5 Ų53.562%0.6229%0.288SS*.THydrogen-bonded Turntrans-91.66.8178-65.3-22.3000113.3E266 I268E266-N270 VanDerWaalsContact O-CB 3.31Å; E266-N270 WeakPolarHBondContact O-CB 3.35Å; E266-N270 VanDerWaalsContact O-CG 3.23Å; E266-N270 PolarHBondContact O-N 3.32Å; E266-N270 VanDerWaalsContact O-N 3.14Å; E266-N270 PolarHBondContact O-ND2 2.99Å; I268-N270 PolarHBondContact O-N 3.37Å
271A97.9Very high97.5Very high27 Ų2751.8 Ų51.822%0.22327%0.273CS..PPolyproline II helixtrans-57.6143.3176.400000111.3A114 H118 I268 R269A114-A271 HydrophobicContact CB-CB 4.08Å; H118-A271 HydrophobicContact CB-CB 4.18Å; I268-A271 WeakPolarHBondContact O-CB 3.42Å; I268-A271 PolarHBondContact O-N 3.08Å; I268-A271 VanDerWaalsContact O-N 3.13Å; R269-A271 VanDerWaalsContact C-N 3.35Å
272K97.8Very high97.4Very high97 Ų9753.9 Ų53.942%0.42228%0.278SS..PPolyproline II helixtrans-81.9159.4179.7-56.8-59.9-174.3-177.80110.7E111 T115 I276E111-K272 HydrophobicContact CB-CG 4.38Å; E111-K272 WeakPolarHBondContact OE1-CE 3.36Å; E111-K272 IonicContact OE1-NZ 2.82Å; T115-K272 WeakPolarHBondContact CG2-O 3.48Å; T115-K272 PolarHBondContact OG1-N 3.32Å; T115-K272 PolarHBondContact OG1-O 3.42Å; K272-I276 HydrophobicContact CB-CB 4.43Å; K272-I276 HydrophobicContact CB-CD1 4.13Å; K272-I276 HydrophobicContact CB-CG2 4.22Å; K272-I276 HydrophobicContact CG-CD1 4Å
273P97.4Very high97.3Very high81 Ų8155.9 Ų55.953%0.52629%0.287SS..PPolyproline II helixtrans-54.7152.3170-24.734.7000112.1S275 I276P273-S275 PolarHBondContact O-N 3.48Å; P273-I276 WeakPolarHBondContact O-CG2 3.34Å; P273-I276 PolarHBondContact O-N 3.24Å
274C96.3Very high97.1Very high27 Ų2755 Ų5518%0.18228%0.283CS..G310 helixtrans-60.7-16.3-175.265.50000115T115 Y119 I276 L277T115-C274 HydrophobicContact CG2-CB 4.4Å; Y119-C274 HydrophobicContact CE2-CB 3.97Å; Y119-C274 WeakPolarHBondContact OH-CB 3.34Å; C274-I276 PolarHBondContact O-N 3.35Å; C274-I276 VanDerWaalsContact O-N 3.13Å; C274-L277 WeakPolarHBondContact O-CB 3.4Å; C274-L277 PolarHBondContact O-N 3.37Å
275S96.9Very high96.9Very high69 Ų6953.4 Ų53.448%0.48328%0.277SS..G310 helixtrans-57.1-25.1175.257.10000113.6P273 L277 L278P273-S275 PolarHBondContact O-N 3.48Å; S275-L277 PolarHBondContact O-N 3.13Å; S275-L278 WeakPolarHBondContact O-CB 3.33Å; S275-L278 VanDerWaalsContact O-CG 3.32Å; S275-L278 WeakPolarHBondContact O-CG 3.37Å; S275-L278 PolarHBondContact O-N 3.36Å
276I97.6Very high96.7Very high47 Ų4756.8 Ų56.824%0.24129%0.29CS..G310 helixtrans-60.9-26.3174.1-162.7166.3000112.7E111 T115 K272 P273 C274 L278E111-I276 HydrophobicContact CB-CD1 3.83Å; T115-I276 HydrophobicContact CG2-CG2 4.37Å; K272-I276 HydrophobicContact CB-CB 4.43Å; K272-I276 HydrophobicContact CB-CD1 4.13Å; K272-I276 HydrophobicContact CB-CG2 4.22Å; K272-I276 HydrophobicContact CG-CD1 4Å; P273-I276 WeakPolarHBondContact O-CG2 3.34Å; P273-I276 PolarHBondContact O-N 3.24Å; C274-I276 PolarHBondContact O-N 3.35Å; C274-I276 VanDerWaalsContact O-N 3.13Å; I276-L278 VanDerWaalsContact C-N 3.32Å; I276-L278 PolarHBondContact O-N 3.03Å
277L97.8Very high96.5Very high0 Ų051.8 Ų51.80%027%0.268CS..G310 helixtrans-80-13.6-178.1-57.8176.9000112.9E112 T115 V116 L144 G148 C274 S275 Q279 L280 I281E112-L277 HydrophobicContact CB-CD2 3.82Å; E112-L277 HydrophobicContact CG-CD2 4.21Å; T115-L277 HydrophobicContact CG2-CD1 3.9Å; T115-L277 HydrophobicContact CG2-CG 4.23Å; V116-L277 HydrophobicContact CG2-CD1 3.92Å; V116-L277 HydrophobicContact CG2-CD2 4.11Å; L144-L277 HydrophobicContact CD1-CB 4.47Å; L144-L277 HydrophobicContact CD1-CD1 4.37Å; L144-L277 HydrophobicContact CD2-CD1 4.29Å; G148-L277 WeakPolarHBondContact O-CD1 3.37Å; C274-L277 WeakPolarHBondContact O-CB 3.4Å; C274-L277 PolarHBondContact O-N 3.37Å; S275-L277 PolarHBondContact O-N 3.13Å; L277-Q279 VanDerWaalsContact C-N 3.27Å; L277-Q279 PolarHBondContact O-N 3.2Å; L277-L280 HydrophobicContact CD2-CD1 3.88Å; L277-L280 WeakPolarHBondContact O-CB 3.46Å; L277-L280 PolarHBondContact O-N 2.75Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.2Å; L277-I281 VanDerWaalsContact O-N 3.12Å
278L97.5Very high96Very high36 Ų3654.9 Ų54.919%0.18828%0.279CS..Hα-helixtrans-60.5-36-177.5-66.1176.6000112.4N146 S275 I276 L280 I281 N282N146-L278 WeakPolarHBondContact O-CD2 3.38Å; S275-L278 WeakPolarHBondContact O-CB 3.33Å; S275-L278 VanDerWaalsContact O-CG 3.32Å; S275-L278 WeakPolarHBondContact O-CG 3.37Å; S275-L278 PolarHBondContact O-N 3.36Å; I276-L278 VanDerWaalsContact C-N 3.32Å; I276-L278 PolarHBondContact O-N 3.03Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L278-L280 PolarHBondContact O-N 3.29Å; L278-I281 HydrophobicContact CD2-CD1 4.49Å; L278-I281 PolarHBondContact O-N 3.27Å; L278-N282 VanDerWaalsContact O-CG 3.24Å; L278-N282 PolarHBondContact O-N 3.39Å; L278-N282 PolarHBondContact O-ND2 2.89Å
279Q96.2Very high95.6Very high123 Ų12360.3 Ų60.358%0.57530%0.304SS*.Hα-helixtrans-62.4-41.5176-176.7177-9.900111.5L277 I281 N282 E283L277-Q279 VanDerWaalsContact C-N 3.27Å; L277-Q279 PolarHBondContact O-N 3.2Å; Q279-I281 VanDerWaalsContact C-N 3.32Å; Q279-I281 PolarHBondContact O-N 3.2Å; Q279-N282 PolarHBondContact O-N 2.77Å; Q279-E283 PolarHBondContact NE2-OE1 3.4Å; Q279-E283 VanDerWaalsContact NE2-OE1 3.1Å; Q279-E283 VanDerWaalsContact O-CG 3.32Å; Q279-E283 WeakPolarHBondContact O-CG 3.48Å; Q279-E283 PolarHBondContact O-N 3.48Å
280L95.8Very high95.3Very high2 Ų260.5 Ų60.51%0.0131%0.305CS..Hα-helixtrans-64.7-40.4178.1-42.2-177.2000111.5I100 R104 I108 E112 L277 L278 A284I100-L280 HydrophobicContact CG2-CB 4.06Å; R104-L280 VanDerWaalsContact NH1-CD2 3.34Å; I108-L280 HydrophobicContact CG2-CD1 3.91Å; E112-L280 HydrophobicContact CB-CD1 4.03Å; E112-L280 HydrophobicContact CG-CD1 3.86Å; E112-L280 HydrophobicContact CG-CD2 4.35Å; E112-L280 HydrophobicContact CG-CG 4.44Å; E112-L280 WeakPolarHBondContact OE1-CD2 3.2Å; E112-L280 WeakPolarHBondContact OE2-CD1 3.46Å; E112-L280 WeakPolarHBondContact OE2-CD2 3.33Å; L277-L280 HydrophobicContact CD2-CD1 3.88Å; L277-L280 WeakPolarHBondContact O-CB 3.46Å; L277-L280 PolarHBondContact O-N 2.75Å; L278-L280 VanDerWaalsContact C-N 3.33Å; L278-L280 PolarHBondContact O-N 3.29Å; L280-A284 WeakPolarHBondContact O-CB 3.43Å; L280-A284 PolarHBondContact O-N 3.44Å
281I96.3Very high94.9Very high3 Ų360.3 Ų60.32%0.01530%0.296CS..Hα-helixtrans-63.3-47.5178.6-66.4170.6000110A94 I100 L144 L277 L278 Q279 A284 N285A94-I281 HydrophobicContact CB-CB 4.47Å; A94-I281 HydrophobicContact CB-CD1 4.11Å; A94-I281 HydrophobicContact CB-CG1 3.89Å; A94-I281 HydrophobicContact CB-CG2 3.87Å; I100-I281 HydrophobicContact CD1-CG1 4.5Å; L144-I281 HydrophobicContact CB-CD1 4.41Å; L144-I281 HydrophobicContact CD1-CD1 4.1Å; L144-I281 HydrophobicContact CD1-CG1 4.1Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.2Å; L277-I281 VanDerWaalsContact O-N 3.12Å; L278-I281 HydrophobicContact CD2-CD1 4.49Å; L278-I281 PolarHBondContact O-N 3.27Å; Q279-I281 VanDerWaalsContact C-N 3.32Å; Q279-I281 PolarHBondContact O-N 3.2Å; I281-A284 PolarHBondContact O-N 3.48Å; I281-N285 VanDerWaalsContact O-CG 3.29Å; I281-N285 PolarHBondContact O-N 3.3Å; I281-N285 PolarHBondContact O-ND2 3.4Å
282N96.3Very high94.1Very high91 Ų9160.7 Ų60.749%0.48729%0.294SS..Hα-helixtrans-61.6-48.4178.7-68.8-15.1000111.6L278 Q279 A284 N285 E286L278-N282 VanDerWaalsContact O-CG 3.24Å; L278-N282 PolarHBondContact O-N 3.39Å; L278-N282 PolarHBondContact O-ND2 2.89Å; Q279-N282 PolarHBondContact O-N 2.77Å; N282-A284 VanDerWaalsContact C-N 3.27Å; N282-A284 PolarHBondContact O-N 3.46Å; N282-N285 PolarHBondContact O-N 2.96Å; N282-E286 WeakPolarHBondContact O-CG 3.4Å; N282-E286 PolarHBondContact O-N 2.92Å
283E95.8Very high93.7Very high43 Ų4360.7 Ų60.720%0.20130%0.298CS..Hα-helixtrans-58.5-38.6176.8-72176-172.300112.3R104 K106 Q279 A287R104-E283 HydrophobicContact CG-CB 4.07Å; R104-E283 IonicContact CZ-OE2 2.75Å; R104-E283 IonicContact NE-OE2 3.93Å; R104-E283 PolarHBondContact NE-OE2 2.95Å; R104-E283 IonicContact NH2-OE2 3.29Å; R104-E283 PolarHBondContact NH2-OE2 3.3Å; K106-E283 WeakPolarHBondContact CE-OE2 3.33Å; K106-E283 IonicContact NZ-OE1 2.73Å; K106-E283 IonicContact NZ-OE2 3.44Å; K106-E283 PolarHBondContact NZ-OE2 3.18Å; Q279-E283 PolarHBondContact NE2-OE1 3.4Å; Q279-E283 VanDerWaalsContact NE2-OE1 3.1Å; Q279-E283 VanDerWaalsContact O-CG 3.32Å; Q279-E283 WeakPolarHBondContact O-CG 3.48Å; Q279-E283 PolarHBondContact O-N 3.48Å; E283-A287 WeakPolarHBondContact O-CB 3.49Å; E283-A287 PolarHBondContact O-N 3.39Å; E283-A287 VanDerWaalsContact O-N 3.1Å
284A95Very high93.2Very high1 Ų162.3 Ų62.31%0.00830%0.298CS..Hα-helixtrans-70.6-39.2177.600000112.6I100 L103 R104 L280 I281 N282 A287 R288I100-A284 HydrophobicContact CB-CB 4.43Å; I100-A284 HydrophobicContact CG1-CB 4.13Å; I100-A284 HydrophobicContact CG2-CB 4.27Å; L103-A284 HydrophobicContact CB-CB 4.23Å; L103-A284 HydrophobicContact CD1-CB 4.2Å; R104-A284 HydrophobicContact CG-CB 4.28Å; L280-A284 WeakPolarHBondContact O-CB 3.43Å; L280-A284 PolarHBondContact O-N 3.44Å; I281-A284 PolarHBondContact O-N 3.48Å; N282-A284 VanDerWaalsContact C-N 3.27Å; N282-A284 PolarHBondContact O-N 3.46Å; A284-A287 PolarHBondContact O-N 2.93Å; A284-R288 WeakPolarHBondContact O-CB 3.25Å; A284-R288 PolarHBondContact O-N 3.3Å
285N92.9Very high92.4Very high45 Ų4564.8 Ų64.824%0.24131%0.307CS..Hα-helixtrans-64.6-46.3175.9-72.2-22.8000111.3I281 N282 A287 R288 E289I281-N285 VanDerWaalsContact O-CG 3.29Å; I281-N285 PolarHBondContact O-N 3.3Å; I281-N285 PolarHBondContact O-ND2 3.4Å; N282-N285 PolarHBondContact O-N 2.96Å; N285-A287 VanDerWaalsContact C-N 3.29Å; N285-A287 PolarHBondContact O-N 3.12Å; N285-R288 WeakPolarHBondContact O-CB 3.49Å; N285-R288 PolarHBondContact O-N 3.29Å; N285-R288 VanDerWaalsContact O-N 3.08Å; N285-E289 PolarHBondContact O-N 3.22Å
286E93.8Very high91.7Very high112 Ų11266.6 Ų66.652%0.52331%0.308SS..Hα-helixtrans-59.5-38.7174.8-71.2173.9-172.700112.2N282 R290N282-E286 WeakPolarHBondContact O-CG 3.4Å; N282-E286 PolarHBondContact O-N 2.92Å; E286-R290 WeakPolarHBondContact O-CB 3.33Å; E286-R290 WeakPolarHBondContact O-CG 3.33Å; E286-R290 PolarHBondContact O-N 3.07Å; E286-R290 VanDerWaalsContact O-N 3.09Å; E286-R290 PolarHBondContact O-NE 3.35Å
287A93Very high90.8Very high7 Ų771 Ų716%0.05833%0.328CS..Hα-helixtrans-66.5-38.8174.800000112.2L103 E283 A284 N285 R291L103-A287 HydrophobicContact CB-CB 4.25Å; L103-A287 WeakPolarHBondContact O-CB 3.11Å; E283-A287 WeakPolarHBondContact O-CB 3.49Å; E283-A287 PolarHBondContact O-N 3.39Å; E283-A287 VanDerWaalsContact O-N 3.1Å; A284-A287 PolarHBondContact O-N 2.93Å; N285-A287 VanDerWaalsContact C-N 3.29Å; N285-A287 PolarHBondContact O-N 3.12Å; A287-R291 WeakPolarHBondContact O-CG 3.45Å; A287-R291 PolarHBondContact O-N 3.22Å; A287-R291 VanDerWaalsContact O-N 3.13Å
288R89.6Confident89.5Confident77 Ų7778.5 Ų78.529%0.29136%0.363SS..Hα-helixtrans-64-46.4176.7-171.5-176.8-62166.52.8111.4G93 A94 L103 A284 N285 R291 L292G93-R288 PolarHBondContact O-NH1 3.49Å; A94-R288 PolarHBondContact O-NH2 3.19Å; L103-R288 HydrophobicContact CD2-CB 4.36Å; A284-R288 WeakPolarHBondContact O-CB 3.25Å; A284-R288 PolarHBondContact O-N 3.3Å; N285-R288 WeakPolarHBondContact O-CB 3.49Å; N285-R288 PolarHBondContact O-N 3.29Å; N285-R288 VanDerWaalsContact O-N 3.08Å; R288-R291 PolarHBondContact O-N 3.36Å; R288-L292 PolarHBondContact O-N 3.13Å; R288-L292 VanDerWaalsContact O-N 3.1Å
289E89.8Confident88Confident117 Ų11782.7 Ų82.755%0.54739%0.39SS..Hα-helixtrans-62-43.7177.2-72.1176-173.600112.1N285 R291 L292 L293N285-E289 PolarHBondContact O-N 3.22Å; E289-R291 VanDerWaalsContact C-N 3.34Å; E289-R291 PolarHBondContact O-N 3.22Å; E289-L292 WeakPolarHBondContact O-CB 3.4Å; E289-L292 PolarHBondContact O-N 2.78Å; E289-L293 WeakPolarHBondContact O-CG 3.29Å; E289-L293 PolarHBondContact O-N 3.21Å
290R91Very high86.2Confident149 Ų14980.9 Ų80.956%0.56239%0.391SS*.Hα-helixtrans-60.1-41.5176.1-77.5-175.2-67.2171.5-2.1112.8E286 L293 Q294E286-R290 WeakPolarHBondContact O-CB 3.33Å; E286-R290 WeakPolarHBondContact O-CG 3.33Å; E286-R290 PolarHBondContact O-N 3.07Å; E286-R290 VanDerWaalsContact O-N 3.09Å; E286-R290 PolarHBondContact O-NE 3.35Å; R290-L293 PolarHBondContact O-N 2.99Å; R290-Q294 WeakPolarHBondContact O-CG 3.47Å; R290-Q294 PolarHBondContact O-N 2.88Å
291R88.3Confident84Confident112 Ų11284.2 Ų84.242%0.42342%0.419SS..Hα-helixtrans-64.2-41176.5-72.9-178.4-173.7-175.44.7111.6R102 A287 R288 E289 Q294 Q295R102-R291 PolarHBondContact O-NH2 2.96Å; A287-R291 WeakPolarHBondContact O-CG 3.45Å; A287-R291 PolarHBondContact O-N 3.22Å; A287-R291 VanDerWaalsContact O-N 3.13Å; R288-R291 PolarHBondContact O-N 3.36Å; E289-R291 VanDerWaalsContact C-N 3.34Å; E289-R291 PolarHBondContact O-N 3.22Å; R291-Q294 PolarHBondContact O-N 2.95Å; R291-Q295 PolarHBondContact O-N 3.41Å
292L82Confident81.6Confident36 Ų3689.7 Ų89.719%0.18845%0.454CS..Hα-helixtrans-62.4-44.8178-176.763.8000112.1R288 E289 Q294 Q295 Q296 S441R288-L292 PolarHBondContact O-N 3.13Å; R288-L292 VanDerWaalsContact O-N 3.1Å; E289-L292 WeakPolarHBondContact O-CB 3.4Å; E289-L292 PolarHBondContact O-N 2.78Å; L292-Q294 VanDerWaalsContact C-N 3.28Å; L292-Q294 PolarHBondContact O-N 2.83Å; L292-Q295 PolarHBondContact O-N 2.75Å; L292-Q296 PolarHBondContact O-N 3.33Å; L292-S441 WeakPolarHBondContact CD1-O 3.31Å
293L87.5Confident79.2Confident97 Ų9793.1 Ų93.151%0.50847%0.473SS..Hα-helixtrans-61.8-35.3177.5-74.7161.1000112.6E289 R290 Q297E289-L293 WeakPolarHBondContact O-CG 3.29Å; E289-L293 PolarHBondContact O-N 3.21Å; R290-L293 PolarHBondContact O-N 2.99Å; L293-Q297 WeakPolarHBondContact O-CG 3.45Å; L293-Q297 PolarHBondContact O-N 3.19Å; L293-Q297 PolarHBondContact O-NE2 3.38Å
294Q87.1Confident76.7Confident114 Ų11496.6 Ų96.653%0.53350%0.497SS..Hα-helixtrans-69.4-38.3177.8-71.6170.521.900112.3R290 R291 L292 Q297 Q298R290-Q294 WeakPolarHBondContact O-CG 3.47Å; R290-Q294 PolarHBondContact O-N 2.88Å; R291-Q294 PolarHBondContact O-N 2.95Å; L292-Q294 VanDerWaalsContact C-N 3.28Å; L292-Q294 PolarHBondContact O-N 2.83Å; Q294-Q297 PolarHBondContact O-N 2.89Å; Q294-Q298 PolarHBondContact O-N 3.3Å
295Q81.1Confident74.1Confident80 Ų80102.1 Ų102.137%0.37453%0.533SS..Hα-helixtrans-65.8-40177.5-70.2173.54.800112R291 L292 Q297 Q298 T299R291-Q295 PolarHBondContact O-N 3.41Å; L292-Q295 PolarHBondContact O-N 2.75Å; Q295-Q297 VanDerWaalsContact C-N 3.28Å; Q295-Q297 PolarHBondContact O-N 2.88Å; Q295-Q298 PolarHBondContact O-N 3.13Å; Q295-T299 PolarHBondContact O-N 3.11Å; Q295-T299 PolarHBondContact O-OG1 3.27Å
296Q80.3Confident71.6Confident106 Ų106106.7 Ų106.750%0.49556%0.556SS.*Hα-helixtrans-66-29.3177.6-67.9177.213.400113.2L292 T299 S300L292-Q296 PolarHBondContact O-N 3.33Å; Q296-T299 PolarHBondContact O-OG1 2.86Å; Q296-S300 PolarHBondContact O-OG 2.83Å
297Q78.8Confident69.2Low141 Ų141105.9 Ų105.966%0.65956%0.562SS**Hα-helixtrans-75.2-27176.6-71.7173.838.700112.7L293 Q294 Q295 S300L293-Q297 WeakPolarHBondContact O-CG 3.45Å; L293-Q297 PolarHBondContact O-N 3.19Å; L293-Q297 PolarHBondContact O-NE2 3.38Å; Q294-Q297 PolarHBondContact O-N 2.89Å; Q295-Q297 VanDerWaalsContact C-N 3.28Å; Q295-Q297 PolarHBondContact O-N 2.88Å; Q297-S300 PolarHBondContact O-OG 3.4Å
298Q71.5Confident66.4Low156 Ų156113 Ų11373%0.72960%0.6SS**Hα-helixtrans-79.2-31.4178-69.8-179.82000112.6Q294 Q295 S300Q294-Q298 PolarHBondContact O-N 3.3Å; Q295-Q298 PolarHBondContact O-N 3.13Å; Q298-S300 VanDerWaalsContact C-N 3.32Å; Q298-S300 PolarHBondContact O-N 2.98Å
299T65.7Low64.2Low124 Ų124115.7 Ų115.776%0.76162%0.624SS**THydrogen-bonded Turntrans-80.9-9.2178.855.50000114.1Q295 Q296Q295-T299 PolarHBondContact O-N 3.11Å; Q295-T299 PolarHBondContact O-OG1 3.27Å; Q296-T299 PolarHBondContact O-OG1 2.86Å
300S58.8Low62Low86 Ų86119.7 Ų119.760%0.60164%0.64SS**THydrogen-bonded Turntrans-104.29.8-178.947.70000114.4Q296 Q297 Q298Q296-S300 PolarHBondContact O-OG 2.83Å; Q297-S300 PolarHBondContact O-OG 3.4Å; Q298-S300 VanDerWaalsContact C-N 3.32Å; Q298-S300 PolarHBondContact O-N 2.98Å
301A50.3Low59.4Low71 Ų71123.7 Ų123.759%0.58766%0.655SS**SBendtrans-69.4127.717100000110.2D303A301-D303 PolarHBondContact O-N 2.73Å
302P44.8Very low57Low118 Ų118129.2 Ų129.277%0.76668%0.676SS**  trans-69.6128.7-177.426.1-30.6000110.4T304P302-T304 PolarHBondContact O-N 3Å
303D45.7Very low54.9Low163 Ų163135.1 Ų135.187%0.87270%0.702SS**  trans-51.7106.4166.8-77.8-37.5000109.1A301A301-D303 PolarHBondContact O-N 2.73Å
304T43.7Very low52.4Low117 Ų117136.4 Ų136.472%0.71872%0.719SS**  trans-72.8125.7163.614.20000106.3P302 I306P302-T304 PolarHBondContact O-N 3Å; T304-I306 PolarHBondContact O-N 3.06Å
305P39.7Very low50Low116 Ų116136.6 Ų136.675%0.75373%0.728SS**  trans-65103.5-179.9-14.727.4000109.3S307P305-S307 PolarHBondContact O-N 3.31Å
306I41.7Very low47.9Very low142 Ų142141.4 Ų141.473%0.72875%0.753SS**  trans-81.671.4170.1-55.5-178.4000108T304 V309T304-I306 PolarHBondContact O-N 3.06Å; I306-V309 HydrophobicContact CG2-CB 4.32Å; I306-V309 HydrophobicContact CG2-CG2 3.83Å
307S42.3Very low45.8Very low94 Ų94143.3 Ų143.366%0.65777%0.766SS**  trans-115.880.5153.762.40000107.3P305P305-S307 PolarHBondContact O-N 3.31Å
308D35.5Very low43.8Very low158 Ų158145 Ų14585%0.84577%0.771SS**  trans-178.916.7149.6-96-18000115K310D308-K310 PolarHBondContact O-N 3Å
309V41.4Very low42.2Very low132 Ų132145 Ų14580%0.878%0.775SS**  trans-85.862.7169.5-1680000109.9I306I306-V309 HydrophobicContact CG2-CB 4.32Å; I306-V309 HydrophobicContact CG2-CG2 3.83Å
310K44.4Very low40.8Very low201 Ų201146.5 Ų146.587%0.87478%0.778SS**SBendtrans-144.937.8168.9-128.6-179-164.6177.60112.3D308D308-K310 PolarHBondContact O-N 3Å
311R37.4Very low39.6Very low234 Ų234150.6 Ų150.688%0.88379%0.787SS**  trans-163.753169.4-143.9179-84.1-176.5-5.1114.3
312R36.9Very low38.8Very low228 Ų228154 Ų15486%0.8680%0.796SS**SBendtrans-139.1101.6172.4-87.5-168.7179.5146.13.9111.9
313H37.3Very low38.6Very low160 Ų160156.9 Ų156.974%0.74180%0.799SS**  trans87.669.4153-46.6100.5000117.9V315H313-V315 PolarHBondContact O-N 3.47Å
314S35.5Very low38.2Very low124 Ų124154.7 Ų154.787%0.86779%0.792SS**  -57.6107.8124.4167.20000107.7
315V37.5Very low37.6Very low118 Ų118158.3 Ų158.372%0.71580%0.797SS**  trans174.994.4144.8176.20000105.7H313H313-V315 PolarHBondContact O-N 3.47Å
316M36.6Very low37.3Very low181 Ų181157.8 Ų157.889%0.89280%0.796SS**  -178.8117.1127.5-140.165.8141.700107.6
317N35.8Very low37.1Very low145 Ų145160.9 Ų160.978%0.77581%0.805SS**  trans-111.7145.7-174.2-139.6-4.9000107.2
318K37.8Very low36.5Very low177 Ų177164.9 Ų164.977%0.7781%0.813SS**  trans83.6122161.9-50.3172179.4-175.80116.9
319I37.4Very low36.1Very low156 Ų156163.4 Ų163.480%0.881%0.805SS**  179.6125102.8-81.7153.5000110
320D36.9Very low35.6Very low156 Ų156164.3 Ų164.383%0.83480%0.801SS**  trans43.6127.5149.5-69.1-32.7000125.6
321E33.4Very low34.9Very low171 Ų171162 Ų16280%0.79980%0.797SS**  trans-75.3161154-69.6179.5139.400112.8
322N33.4Very low34.6Very low143 Ų143155.5 Ų155.577%0.76579%0.787SS**  trans90.9104.4163.3-58.6-45.2000117.9
323Q40.4Very low34.2Very low179 Ų179153 Ų15384%0.83679%0.785SS**  167.7130.9110.2-92.2-167.739.400114.2
324V37.1Very low33.8Very low117 Ų117152.1 Ų152.171%0.70979%0.786SS**  trans76.9105.1133.5-175.80000120.4
325K31.9Very low33.5Very low193 Ų193153.6 Ų153.684%0.83978%0.784SS**  trans17.7142.4131.7-66.6178.5176.3176.70120.8
326S31.9Very low33.2Very low105 Ų105153.7 Ų153.773%0.73479%0.785SS**  trans88.7110.3143.1690000118.8
327K37.8Very low32.7Very low207 Ų207153 Ų15390%0.979%0.785SS**  176.8149108.5-95.1172-179.8179.50112.5
328Q29.9Very low32.5Very low177 Ų177151.8 Ų151.883%0.82778%0.778SS**  trans-63159175.8-104.9158.9-31.600114.6
329N27.4Very low32.1Very low128 Ų128148.7 Ų148.768%0.68477%0.77SS**  trans92.4121.1138.9-90.60.4000121.4
330Q30.6Very low31.5Very low151 Ų151150 Ų15071%0.70678%0.778SS**  trans94.1133.7130.6-75.1178.342.800120
331L30.2Very low31.1Very low153 Ų153148.4 Ų148.480%0.80177%0.765SS**  trans76.2134.8161.8-56.2131.8000113.5
332S30.6Very low30.8Very low97 Ų97146.8 Ų146.868%0.67877%0.767SS**  cis-174.51619.4260000106.4
333Q28.1Very low30.3Very low174 Ų174146.4 Ų146.481%0.81376%0.762SS**  trans18.2126156.7-71.9167.3-69.600118.9
334D30.7Very low29.6Very low142 Ų142144 Ų14476%0.75976%0.759SS**  -176.9129.5119.9-79.6-23.1000110.1
335D27.7Very low28.9Very low155 Ų155148.7 Ų148.783%0.82976%0.764SS**  trans23.6112.6153.6-53.7-35000120.3
336V31.4Very low28.5Very low120 Ų120144.1 Ų144.173%0.72776%0.757SS**  trans-138.294.2155.3-165.40000108.9D338V336-D338 HydrophobicContact CG1-CB 4.14Å; V336-D338 WeakPolarHBondContact CG1-OD2 3.36Å
337D27.2Very low28.2Very low168 Ų168146.5 Ų146.590%0.89876%0.761SS**  trans-70116.4155.1-111.3-23.4000106.8
338D30.6Very low27.6Very low118 Ų118141.6 Ų141.663%0.63175%0.753SS**  trans-152.7110.9169.9-100.8-39.3000111.8V336V336-D338 HydrophobicContact CG1-CB 4.14Å; V336-D338 WeakPolarHBondContact CG1-OD2 3.36Å
339N29.1Very low27.6Very low113 Ų113138.6 Ų138.660%0.60475%0.747SS**  58.284.2129.6-67.5-30.9000118.3H341N339-H341 PolarHBondContact O-N 3.3Å; N339-H341 VanDerWaalsContact O-N 3.15Å; N339-H341 PolarHBondContact OD1-CD2 3.03Å
340L25.4Very low27.5Very low182 Ų182137.8 Ų137.895%0.95375%0.752SS**  trans-82.462.8147.8-160.273.7000109.5
341H29.4Very low27.5Very low124 Ų124138.3 Ų138.357%0.57476%0.759SS**  trans-90.7123.6160.8-82.4-82.1000107.9N339 M343N339-H341 PolarHBondContact O-N 3.3Å; N339-H341 VanDerWaalsContact O-N 3.15Å; N339-H341 PolarHBondContact OD1-CD2 3.03Å; H341-M343 HydrophobicContact CB-CG 4.39Å; H341-M343 PolarHBondContact O-N 3.47Å
342T25.4Very low27.4Very low137 Ų137142.2 Ų142.284%0.8476%0.763SS**  trans-65.883.3158.8-56.90000107.6
343M22.8Very low27.1Very low135 Ų135143.2 Ų143.267%0.66577%0.766SS**  trans-77123165.8-82-152.3-7100109.2H341H341-M343 HydrophobicContact CB-CG 4.39Å; H341-M343 PolarHBondContact O-N 3.47Å
344V26.7Very low27.3Very low127 Ų127141.3 Ų141.377%0.7777%0.765SS**  trans-128.2104147.8179.20000106.6
345R22.1Very low27.1Very low216 Ų216139.1 Ų139.182%0.81576%0.761SS**  trans-64.2133.8170.5-88.4178.9169.3164.8-3110.5
346S22.9Very low27.4Very low97 Ų97139.9 Ų139.968%0.67877%0.765SS**  trans-59.1133.5163.4-44.60000110.7
347N25.8Very low27.2Very low155 Ų155141.6 Ų141.683%0.82977%0.77SS**  trans-107.387160.6-109.68.2000108.3T349N347-T349 PolarHBondContact O-N 3.25Å
348S24.7Very low27.6Very low105 Ų105141.8 Ų141.873%0.73477%0.769SS**  trans-69.1101.3161.6-59.50000108
349T30Very low27.6Very low114 Ų114142.6 Ų142.670%0.69977%0.774SS**  trans-104.698.8169-36.40000108.6N347 N351N347-T349 PolarHBondContact O-N 3.25Å; T349-N351 PolarHBondContact O-N 2.9Å
350S25.8Very low27.8Very low111 Ų111143.2 Ų143.278%0.77679%0.787SS**  trans-55129.1161.3-73.40000109.7
351N30.3Very low28Very low162 Ų162141.1 Ų141.187%0.86678%0.777SS**  trans-139.7116.7155.7-103.2-18.1000111.2T349T349-N351 PolarHBondContact O-N 2.9Å
352R28.4Very low28.2Very low234 Ų234141.6 Ų141.688%0.88378%0.783SS**  trans-72136.4173.9-96.6176.1173.1169.1-2111
353T25.2Very low28.6Very low119 Ų119141.1 Ų141.173%0.7378%0.776SS**  trans64.6124.2138.8-28.50000118.6
354V31.6Very low28.9Very low133 Ų133142.1 Ų142.181%0.80678%0.784SS**  171.9130.6106.9164.30000109.7
355S26.6Very low29.1Very low97 Ų97144.6 Ų144.668%0.67879%0.787SS**  trans-50.7146-180-39.30000115.6
356N33.2Very low29.6Very low170 Ų170139.5 Ų139.591%0.90979%0.785SS**  trans-162.3122.9132.8-96.2-23.3000112.1
357N29.1Very low29.8Very low156 Ų156138.3 Ų138.383%0.83479%0.787SS**  trans-57.6135173.7-75.5-26.7000112.9
358I34.7Very low29.9Very low172 Ų172138.6 Ų138.688%0.88279%0.788SS**  trans-143.8118135.3-62.5-171000108.9
359N29.6Very low29.9Very low136 Ų136141.4 Ų141.473%0.72780%0.795SS**  trans-57.7142.9170.4-90.2-12.6000112.7
360S33.4Very low29.9Very low125 Ų125142.8 Ų142.887%0.87480%0.797SS**  trans-160.5119.6130.6-81.30000110.8
361N29.7Very low29.8Very low138 Ų138145.5 Ų145.574%0.73880%0.802SS**  trans-58.2145.3176.1-68-26.2000112.9
362N34.1Very low29.6Very low134 Ų134140.9 Ų140.972%0.71779%0.793SS**  -176.9125.8108.8-92.3-14.6000112.5
363N33.1Very low29.4Very low128 Ų128135 Ų13568%0.68479%0.794SS**  trans59.6104.5136.8-56.3-13.9000117.7
364N29.5Very low29.5Very low155 Ų155132.9 Ų132.983%0.82979%0.789SS**  94.7142.574.2-93.60.9000112.1
365E31.6Very low29.2Very low179 Ų179129.5 Ų129.584%0.83677%0.769SS**  trans9390.5175.2-59.6-172.6163.400114.6
366S32.1Very low29.2Very low110 Ų110131 Ų13177%0.76977%0.769SS**  59.299.688.367.90000110.7
367G26.4Very low29.1Very low71 Ų71127.7 Ų127.773%0.73275%0.754SS**  97.5118.367.600000107.6
368L28.8Very low29Very low162 Ų162125.1 Ų125.185%0.84875%0.748SS**  trans174.8109152.7-94.2161.9000108.9
369D24.4Very low28.5Very low163 Ų163123.6 Ų123.687%0.87274%0.742SS**  trans-61.4127.2159.6-60.4-56.8000109.1
370I30Very low28.4Very low144 Ų144123.2 Ų123.274%0.73875%0.748SS**  trans-143.4109.9163.8-60.6-177.4000109.1
371D23.8Very low28.1Very low167 Ų167121.8 Ų121.889%0.89374%0.738SS**  trans-51.8129.2156.8-63.8-53.9000110.2
372G26.8Very low28.1Very low65 Ų65123 Ų12367%0.6774%0.744SS**  trans-170.399.1-179.400000113.9A374G372-A374 PolarHBondContact O-N 3.36Å
373A24.4Very low27.8Very low110 Ų110125 Ų12591%0.90975%0.749SS**  trans-49121.4160.700000110.1
374A26.5Very low27.8Very low76 Ų76126.8 Ų126.863%0.62876%0.759SS**  trans-129.592.2176.100000109.9G372 L376G372-A374 PolarHBondContact O-N 3.36Å; A374-L376 PolarHBondContact O-N 2.73Å
375T26.3Very low28Very low62 Ų62130.1 Ų130.138%0.3876%0.76SS.*  trans-57.8118.4160.4-600000109.1L9 S10 V377L9-T375 WeakPolarHBondContact O-CG2 3.5Å; S10-T375 PolarHBondContact O-OG1 2.83Å; S10-T375 VanDerWaalsContact O-OG1 3.13Å; T375-V377 HydrophobicContact CG2-CG2 4.05Å; T375-V377 PolarHBondContact O-N 2.98Å; T375-V377 VanDerWaalsContact O-N 3.1Å
376L26.6Very low27.9Very low128 Ų128127.1 Ų127.167%0.6775%0.754SS**  trans-81.589.3175.8-136.5158.1000108.8L54 A374L54-L376 HydrophobicContact CD2-CD1 4.08Å; A374-L376 PolarHBondContact O-N 2.73Å
377V29.2Very low28Very low100 Ų100129.2 Ų129.261%0.60676%0.757SS**  trans-72124.6172.1179.30000108.9T375 L379T375-V377 HydrophobicContact CG2-CG2 4.05Å; T375-V377 PolarHBondContact O-N 2.98Å; T375-V377 VanDerWaalsContact O-N 3.1Å; V377-L379 PolarHBondContact O-N 3.42Å
378S27.2Very low28.3Very low102 Ų102133.6 Ų133.671%0.71376%0.758SS**  trans-59.397.6172.2168.90000110.9
379L25.5Very low28.7Very low141 Ų141134.6 Ų134.674%0.73876%0.758SS**  trans-97.5103.7166.7-71.2170.9000109.7V377V377-L379 PolarHBondContact O-N 3.42Å
380C26.1Very low29.1Very low127 Ų127134.2 Ų134.286%0.85876%0.756SS**  trans-90.792.7150.6-77.80000107.1
381S27.6Very low29.5Very low95 Ų95135.7 Ų135.766%0.66477%0.765SS**PPolyproline II helixtrans-75.6123.5171.7-46.20000109.5E383S381-E383 PolarHBondContact O-N 2.83Å
382N30.1Very low30Very low163 Ų163130.9 Ų130.987%0.87276%0.755SS**PPolyproline II helixtrans-61.7126.7162.7-78.2-31.3000109.1
383E28.3Very low30.4Very low177 Ų177131 Ų13183%0.82776%0.757SS**PPolyproline II helixtrans-76122.1164.6-65.6-175.6145.600108.8S381S381-E383 PolarHBondContact O-N 2.83Å
384D33.4Very low31.3Very low166 Ų166132.8 Ų132.889%0.88875%0.751SS**  trans-136.1123.7152.1-99.8-33000109.8
385R32.1Very low32.1Very low224 Ų224135.7 Ų135.785%0.84576%0.756SS**  trans-85.2122.1-175.7-80.4-179.8171.6162.6-1111.3
386T29.3Very low33Very low117 Ų117139 Ų13972%0.71877%0.771SS**  trans33.1117.9133.862.80000119.3
387N34.2Very low34Very low153 Ų153138.7 Ų138.782%0.81877%0.77SS**  -167.1119118-104.9-14.9000114.1
388H34.4Very low34.8Very low163 Ų163139.9 Ų139.976%0.75577%0.773SS**  trans0.4128.9147.5-75.1-62.7000120.6
389H36.7Very low35.8Very low183 Ų183141.6 Ų141.685%0.84777%0.774SS**  -175.8151.3101-105.966.1000112.6
390N32.2Very low36.7Very low156 Ų156140.4 Ų140.483%0.83477%0.769SS**  trans-65.6172.4-172.7-78.9-21.3000117
391D39.1Very low37.4Very low174 Ų174141.3 Ų141.393%0.9377%0.765SS**  trans98.7126.7149.9-133.222.8000114
392G33.5Very low37.8Very low66 Ų66140.5 Ų140.568%0.6877%0.772SS**  cis161.8146.67.500000108.1
393G36.5Very low37.9Very low69 Ų69138.1 Ų138.171%0.71177%0.768SS**  trans73.9153.4166.700000117.3
394D42.1Very low38.1Very low146 Ų146138.1 Ų138.178%0.78177%0.766SS**  cis180164.6-11-107.7-17.1000104.8
395D43.8Very low38.2Very low137 Ų137136 Ų13673%0.73375%0.753SS**  trans76.6141.2160.3-48.7-23.9000118.6
396D45.8Very low38.1Very low131 Ų131135.7 Ų135.770%0.70175%0.752SS**  cis-179.2162.8-19.9-109.7-17000106.6
397D46.5Very low38.3Very low123 Ų123137.4 Ų137.466%0.65875%0.751SS**  trans81.8104.8148.4-58.2-14.7000123.1
398D47.1Very low38.3Very low124 Ų124138.6 Ų138.666%0.66375%0.752SS**  90.5127.6107.1-66.7-15.8000123.9
399D47.5Very low38.3Very low138 Ų138136.7 Ų136.774%0.73875%0.747SS**  trans77.8142.8131.7-72.6-7.4000120.7
400D45.2Very low38.4Very low117 Ų117135.9 Ų135.963%0.62675%0.749SS**  cis-174.2158.8-9.6-165.62.2000107.7
401N39.4Very low38.4Very low145 Ų145137.2 Ų137.278%0.77575%0.75SS**  trans70.9129.8147.6-78.3-35.6000125.7
402G35.7Very low38.3Very low79 Ų79136.2 Ų136.281%0.81475%0.75SS**  147.585.9128.200000118.6
403S33.1Very low38.1Very low112 Ų112140 Ų14078%0.78376%0.755SS**  trans-88.2154.7172.494.40000113.4
404F33.6Very low38.2Very low178 Ų178142.1 Ų142.178%0.78175%0.754SS**  trans-173.4125.8138-137.8-126.8000116.8
405I35.2Very low37.9Very low121 Ų121141.6 Ų141.662%0.62175%0.751SS**  trans56.6121.8136.9-63.7-156.9000121.5
406R29.9Very low37.4Very low217 Ų217142.2 Ų142.282%0.81976%0.755SS**  83115.554-87.1-165.5175.1-174.42.6117.7
407H32.3Very low37.3Very low154 Ų154140 Ų14071%0.71375%0.747SS**  trans50.3129.6145.8-64.3-76.3000123.3
408H35.7Very low36.6Very low177 Ų177143.6 Ų143.682%0.81975%0.753SS**  -173.4146.7112.8-121.7-71.1000113.7
409D33.6Very low36Very low124 Ų124144.3 Ų144.366%0.66376%0.756SS**  trans-72.1165.5-177.7-47.8-67.6000115.5
410D38.7Very low35.3Very low166 Ų166142.3 Ų142.389%0.88875%0.752SS**  -175133.1127.6-93.2-23.8000113.5
411E31.8Very low34.7Very low183 Ų183142 Ų14286%0.85576%0.759SS**  trans-74.6159.9176.6-62.9-178.314100113
412T36.4Very low34.3Very low153 Ų153138.2 Ų138.294%0.93975%0.754SS**  -171.5144.8125.423.60000113.4
413N30.8Very low34.2Very low146 Ų146141.6 Ų141.678%0.78175%0.754SS**  trans-83.7175.7-165.8-167.6-1.9000113.3
414V37.3Very low33.9Very low113 Ų113143.2 Ų143.269%0.68575%0.753SS**  trans151.7111.8130173.60000114.7
415N36Very low33.7Very low136 Ų136142.3 Ų142.373%0.72776%0.757SS**  trans70.6116.2144.3-60.2-14.9000122.4
416N33.6Very low33.2Very low149 Ų149141.9 Ų141.980%0.79776%0.759SS**  89156.750.4-15649.1000113.8
417P43.4Very low32.9Very low85 Ų85139.7 Ų139.755%0.55276%0.761SS**  -130.5-174.4-54.935.2-19.9000114
418Y33Very low32.5Very low199 Ų199138.2 Ų138.278%0.7876%0.762SS**  -178.9114120.7-108.6-94000112.8
419I33.4Very low32Very low139 Ų139135.1 Ų135.171%0.71376%0.755SS**  56.8133.5127.9-57.7-167000119.2
420S33Very low31.6Very low95 Ų95135.6 Ų135.666%0.66476%0.758SS**  cis-163.1141.126.4-1490000112.7
421S32.4Very low31Very low110 Ų110133.8 Ų133.877%0.76975%0.748SS**  trans25.5141.113566.80000121.8
422G32.5Very low30.7Very low66 Ų66132.2 Ų132.268%0.6875%0.746SS**  cis170.6163.87.200000114.5
423N31.6Very low30.5Very low150 Ų150128.6 Ų128.680%0.80274%0.739SS**  trans55112.6153.1-63.34.1000120
424L28.1Very low30.3Very low146 Ų146130.3 Ų130.376%0.76474%0.742SS**  61.711479.3-98101.7000113.3
425D28.2Very low30.1Very low160 Ų160130.4 Ų130.486%0.85675%0.748SS**  -166.5148.5115.3-99.8-22.2000114
426T25.3Very low29.8Very low111 Ų111132.2 Ų132.268%0.68175%0.752SS**  trans-76.3150.5-176.7-54.10000113.3
427M24.4Very low29.9Very low172 Ų172134.4 Ų134.485%0.84776%0.757SS**  trans164.6115.5131.5-90.5-166.7-68.200111.9
428V24.2Very low29.5Very low122 Ų122135.8 Ų135.874%0.73976%0.76SS**  53.113096.9-145.10000117.7
429V24.7Very low29.4Very low112 Ų112129.8 Ų129.868%0.67975%0.747SS**  trans84128.6148.5-110.80000123.6
430N24.2Very low29.1Very low134 Ų134125.5 Ų125.572%0.71774%0.738SS**  trans106.2131.1132.7-70.9-25.7000120.5
431D27.1Very low29.1Very low129 Ų129122.9 Ų122.969%0.6972%0.719SS**  trans55.5122.8140-81.1-0.9000121.3
432D26.1Very low28.8Very low149 Ų149122.3 Ų122.380%0.79771%0.711SS**  50.3102121-48.8-15.3000117.5
433G30.5Very low28.7Very low77 Ų77123.3 Ų123.379%0.79470%0.704SS**  trans-171.998.4168.100000112.5S435G433-S435 PolarHBondContact O-N 3.21Å
434E28.1Very low28.5Very low183 Ų183120.6 Ų120.686%0.85569%0.692SS**  trans-56.8127.3165.4-60.8176.1153.300110.7
435S31.8Very low28.6Very low114 Ų114122.9 Ų122.980%0.79769%0.692SS**  trans-157.5113.7148.258.40000109.8G433G433-S435 PolarHBondContact O-N 3.21Å
436E29.8Very low28.6Very low174 Ų174121.5 Ų121.581%0.81368%0.684SS**  trans-56.2142.4163.5-58.2-171.3145.100110.1
437E35.8Very low28.7Very low195 Ų195122.2 Ų122.291%0.91169%0.689SS**  trans175.2130130.1-93.3168.9-158.400112.9
438D35.3Very low29Very low114 Ų114119.7 Ų119.761%0.6168%0.683SS**  trans31.6117149.6-127.1-8.5000124.2
439S30.6Very low29.2Very low74 Ų74117.4 Ų117.452%0.51769%0.685SS.*  trans39.986.3139.4-51.60000120.6
440G28.5Very low29.4Very low49 Ų49120 Ų12051%0.50570%0.695SS.*  trans-92.4104.816800000114.3K22K22-G440 PolarHBondContact N-O 3.3Å
441S31.4Very low29.7Very low39 Ų39119.3 Ų119.327%0.27370%0.7SS.*  trans-116.5113.1166.467.50000111.5L292L292-S441 WeakPolarHBondContact CD1-O 3.31Å
442V27.9Very low29.8Very low98 Ų98118.1 Ų118.159%0.59470%0.702SS**  trans-94.6132.1170.8173.50000109.2
443V28.9Very low30.1Very low88 Ų88119 Ų11953%0.53371%0.707SS.*  trans-86.5118.5166.3177.30000107.6Y445V443-Y445 HydrophobicContact CG1-CE2 4.48Å
444V28.7Very low30.3Very low93 Ų93117.7 Ų117.756%0.56469%0.694SS**  trans-87.7113.5167.8179.80000107.1I20I20-V444 HydrophobicContact CG2-CG2 4.13Å
445Y28.7Very low30.8Very low193 Ų193116.2 Ų116.276%0.75769%0.691SS**  trans-72.4123.4163.7-69.1-85.7000108.1V443 T447V443-Y445 HydrophobicContact CG1-CE2 4.48Å; Y445-T447 PolarHBondContact O-N 3.47Å
446D28.9Very low31.3Very low131 Ų131117.2 Ų117.270%0.70169%0.687SS**  trans-78.598.3163.6-164.5-16.8000107.3T448D446-T448 PolarHBondContact OD1-N 3.07Å; D446-T448 PolarHBondContact OD1-OG1 3.31Å; D446-T448 VanDerWaalsContact OD1-OG1 3.07Å
447T26.3Very low31.7Very low126 Ų126112.5 Ų112.577%0.77367%0.667SS**  trans-94.776.4168.1540000108.3Y445Y445-T447 PolarHBondContact O-N 3.47Å
448T32.1Very low31.8Very low119 Ų119106 Ų10673%0.7365%0.647SS**  trans-108.5108.6153.944.10000107.4D446D446-T448 PolarHBondContact OD1-N 3.07Å; D446-T448 PolarHBondContact OD1-OG1 3.31Å; D446-T448 VanDerWaalsContact OD1-OG1 3.07Å
449G27.8Very low32.1Very low75 Ų75106.9 Ų106.977%0.77365%0.648SS**  trans-71.6163.4-178.200000113
450D28.6Very low32.7Very low166 Ų166109.3 Ų109.389%0.88865%0.645SS**  trans8474.1152.2-132.518.8000117.3
451S31.8Very low33.3Very low119 Ų119111.2 Ų111.283%0.83264%0.644SS**  -176.7122.9125.125.20000110.6
452S28.6Very low33.8Very low105 Ų105115.3 Ų115.373%0.73466%0.659SS**  trans-67.2152.7175.150.10000112.8
453D32.9Very low34.6Very low166 Ų166117.6 Ų117.689%0.88866%0.657SS**SBendtrans72.192.6168.1-59.3-19.8000116.1
454G34.6Very low35.3Very low50 Ų50118 Ų11852%0.51565%0.653SS.*  trans165.1-5.8165.800000118.7
455L37.9Very low35.7Very low152 Ų152116.3 Ų116.380%0.79665%0.649SS**Hα-helixtrans-88-17.8-172.8-67.8171.3000114.6
456D42.8Very low36.3Very low136 Ų136113.7 Ų113.773%0.72764%0.642SS**Hα-helixtrans-76.2-26.9178.9-60.47.2000112.1R460D456-R460 WeakPolarHBondContact O-CB 3.37Å; D456-R460 PolarHBondContact O-N 2.82Å
457D36.5Very low37Very low74 Ų74113.9 Ų113.940%0.39664%0.639SS.*Hα-helixtrans-74.6-35.9-176.9-73.7-39.7000112.1R460 D461D457-R460 PolarHBondContact O-N 3.08Å; D457-R460 IonicContact OD1-CZ 2.76Å; D457-R460 IonicContact OD1-NH1 2.74Å; D457-R460 PolarHBondContact OD1-NH1 3.35Å; D457-R460 IonicContact OD1-NH2 2.77Å; D457-R460 PolarHBondContact OD1-NH2 3.44Å; D457-D461 VanDerWaalsContact O-CB 3.27Å; D457-D461 WeakPolarHBondContact O-CB 3.37Å; D457-D461 PolarHBondContact O-N 2.86Å
458A39.3Very low37.8Very low59 Ų59113.8 Ų113.849%0.48863%0.633SS.*Hα-helixtrans-70.1-35.5178.800000112.8Q462A458-Q462 WeakPolarHBondContact O-CB 3.4Å; A458-Q462 WeakPolarHBondContact O-CG 3.4Å; A458-Q462 PolarHBondContact O-N 3.5Å
459E40.7Very low38Very low132 Ų132113.4 Ų113.462%0.61763%0.626SS**Hα-helixtrans-73.9-34.4174.5-122.6-176.4174.200111.5R463E459-R463 WeakPolarHBondContact O-CG 3.46Å; E459-R463 PolarHBondContact O-N 3.26Å
460R43.4Very low38.5Very low125 Ų125113.8 Ų113.847%0.47261%0.61SS.*Hα-helixtrans-66.8-46171.6-167.5178.377.8-127.2-11.6111.7D456 D457 Q462 R463 E464D456-R460 WeakPolarHBondContact O-CB 3.37Å; D456-R460 PolarHBondContact O-N 2.82Å; D457-R460 PolarHBondContact O-N 3.08Å; D457-R460 IonicContact OD1-CZ 2.76Å; D457-R460 IonicContact OD1-NH1 2.74Å; D457-R460 PolarHBondContact OD1-NH1 3.35Å; D457-R460 IonicContact OD1-NH2 2.77Å; D457-R460 PolarHBondContact OD1-NH2 3.44Å; R460-Q462 VanDerWaalsContact C-N 3.31Å; R460-Q462 PolarHBondContact O-N 3.46Å; R460-R463 WeakPolarHBondContact O-CB 3.3Å; R460-R463 PolarHBondContact O-N 3.1Å; R460-R463 VanDerWaalsContact O-N 3.11Å; R460-E464 IonicContact NE-OE1 2.74Å; R460-E464 PolarHBondContact O-N 3.03Å
461D41.5Very low39.2Very low89 Ų89110 Ų11048%0.47660%0.601SS.*Hα-helixtrans-65-35.9178.6-72.2-5.3000111.4D457 A465D457-D461 VanDerWaalsContact O-CB 3.27Å; D457-D461 WeakPolarHBondContact O-CB 3.37Å; D457-D461 PolarHBondContact O-N 2.86Å; D461-A465 WeakPolarHBondContact O-CB 3.34Å; D461-A465 PolarHBondContact O-N 3.45Å
462Q41.3Very low39.2Very low126 Ų126107.9 Ų107.959%0.58959%0.591SS**Hα-helixtrans-64.9-44.3170.3-82.4-174.5-300111.9A458 R460 A465 F466A458-Q462 WeakPolarHBondContact O-CB 3.4Å; A458-Q462 WeakPolarHBondContact O-CG 3.4Å; A458-Q462 PolarHBondContact O-N 3.5Å; R460-Q462 VanDerWaalsContact C-N 3.31Å; R460-Q462 PolarHBondContact O-N 3.46Å; Q462-A465 PolarHBondContact O-N 3.32Å; Q462-F466 WeakPolarHBondContact O-CD2 3.12Å; Q462-F466 PolarHBondContact O-N 3.15Å
463R44.9Very low39.3Very low145 Ų145108 Ų10855%0.54758%0.583SS.*Hα-helixtrans-60.8-46.7175.4-81.6-179.1178.2173.43.2112E459 R460 A465 F466 E467E459-R463 WeakPolarHBondContact O-CG 3.46Å; E459-R463 PolarHBondContact O-N 3.26Å; R460-R463 WeakPolarHBondContact O-CB 3.3Å; R460-R463 PolarHBondContact O-N 3.1Å; R460-R463 VanDerWaalsContact O-N 3.11Å; R463-A465 PolarHBondContact O-N 3.35Å; R463-F466 PolarHBondContact O-N 3.2Å; R463-E467 PolarHBondContact O-N 3.43Å
464E44.3Very low39.1Very low96 Ų96105 Ų10545%0.44957%0.573SS.*Hα-helixtrans-63.1-41.5177.7-75.6-177.2-167.500111.7R460 F466 E467 L468R460-E464 IonicContact NE-OE1 2.74Å; R460-E464 PolarHBondContact O-N 3.03Å; E464-F466 VanDerWaalsContact C-N 3.3Å; E464-F466 PolarHBondContact O-N 2.93Å; E464-E467 PolarHBondContact O-N 3.47Å; E464-L468 WeakPolarHBondContact O-CB 3.38Å; E464-L468 VanDerWaalsContact O-CG 3.28Å; E464-L468 WeakPolarHBondContact O-CG 3.38Å; E464-L468 PolarHBondContact O-N 2.97Å
465A37.3Very low38.9Very low58 Ų58108 Ų10848%0.47958%0.583SS.*Hα-helixtrans-62.9-35.4175.400000112.5D461 Q462 R463 L469D461-A465 WeakPolarHBondContact O-CB 3.34Å; D461-A465 PolarHBondContact O-N 3.45Å; Q462-A465 PolarHBondContact O-N 3.32Å; R463-A465 PolarHBondContact O-N 3.35Å; A465-L469 PolarHBondContact O-N 3.48Å; A465-L469 VanDerWaalsContact O-N 3.14Å
466F41.1Very low38.5Very low138 Ų138103.7 Ų103.761%0.60557%0.569SS**Hα-helixtrans-77-37.7175.8-84.4-68.2000113.1Q462 R463 E464 L468 L469 D470Q462-F466 WeakPolarHBondContact O-CD2 3.12Å; Q462-F466 PolarHBondContact O-N 3.15Å; R463-F466 PolarHBondContact O-N 3.2Å; E464-F466 VanDerWaalsContact C-N 3.3Å; E464-F466 PolarHBondContact O-N 2.93Å; F466-L468 VanDerWaalsContact C-N 3.31Å; F466-L468 PolarHBondContact O-N 3.01Å; F466-L469 WeakPolarHBondContact O-CB 3.26Å; F466-L469 PolarHBondContact O-N 3.39Å; F466-L469 VanDerWaalsContact O-N 3.16Å; F466-D470 WeakPolarHBondContact O-CB 3.49Å; F466-D470 PolarHBondContact O-N 2.84Å
467E44.1Very low37.8Very low136 Ų136102.3 Ų102.364%0.63657%0.565SS**Hα-helixtrans-63-37.8172.3-77.1-174.9173.200111.6R463 E464 L469 D470 A471R463-E467 PolarHBondContact O-N 3.43Å; E464-E467 PolarHBondContact O-N 3.47Å; E467-L469 VanDerWaalsContact C-N 3.34Å; E467-D470 PolarHBondContact O-N 2.83Å; E467-A471 VanDerWaalsContact O-CB 3.26Å; E467-A471 WeakPolarHBondContact O-CB 3.26Å; E467-A471 PolarHBondContact O-N 3.14Å
468L41.6Very low37.4Very low124 Ų124103.7 Ų103.765%0.64959%0.587SS**Hα-helixtrans-66.6-34.2172.3-73.5170.4000112.5E464 F466 A472E464-L468 WeakPolarHBondContact O-CB 3.38Å; E464-L468 VanDerWaalsContact O-CG 3.28Å; E464-L468 WeakPolarHBondContact O-CG 3.38Å; E464-L468 PolarHBondContact O-N 2.97Å; F466-L468 VanDerWaalsContact C-N 3.31Å; F466-L468 PolarHBondContact O-N 3.01Å; L468-A472 WeakPolarHBondContact O-CB 3.32Å; L468-A472 PolarHBondContact O-N 2.82Å
469L36.3Very low36.9Very low111 Ų111106.6 Ų106.658%0.58160%0.599SS**Hα-helixtrans-71.3-39.5176.1-149.882.2000111.8A465 F466 E467 A472 L473A465-L469 PolarHBondContact O-N 3.48Å; A465-L469 VanDerWaalsContact O-N 3.14Å; F466-L469 WeakPolarHBondContact O-CB 3.26Å; F466-L469 PolarHBondContact O-N 3.39Å; F466-L469 VanDerWaalsContact O-N 3.16Å; E467-L469 VanDerWaalsContact C-N 3.34Å; L469-A472 PolarHBondContact O-N 2.97Å; L469-L473 PolarHBondContact O-N 2.93Å
470D39.2Very low36.2Very low83 Ų83109.5 Ų109.544%0.44461%0.613SS.*Hα-helixtrans-66.7-42.2175.7-159.850.9000110.9F466 E467 A472 L473F466-D470 WeakPolarHBondContact O-CB 3.49Å; F466-D470 PolarHBondContact O-N 2.84Å; E467-D470 PolarHBondContact O-N 2.83Å; D470-A472 VanDerWaalsContact C-N 3.25Å; D470-A472 PolarHBondContact O-N 2.8Å; D470-L473 PolarHBondContact O-N 2.74Å
471A42.9Very low35.5Very low86 Ų86106.9 Ų106.971%0.71162%0.624SS**Hα-helixtrans-67.7-22.917300000113.6E467E467-A471 VanDerWaalsContact O-CB 3.26Å; E467-A471 WeakPolarHBondContact O-CB 3.26Å; E467-A471 PolarHBondContact O-N 3.14Å
472A32.8Very low34.7Very low74 Ų74108.5 Ų108.561%0.61264%0.638SS**THydrogen-bonded Turntrans-87.5-8.5178.400000113.8L468 L469 D470 P474L468-A472 WeakPolarHBondContact O-CB 3.32Å; L468-A472 PolarHBondContact O-N 2.82Å; L469-A472 PolarHBondContact O-N 2.97Å; D470-A472 VanDerWaalsContact C-N 3.25Å; D470-A472 PolarHBondContact O-N 2.8Å; A472-P474 VanDerWaalsContact O-CD 3.29Å; A472-P474 WeakPolarHBondContact O-CD 3.32Å
473L30.6Very low34.1Very low107 Ų107110 Ų11056%0.5665%0.649SS**SBendtrans-75.9114.3172.9-80.1161.6000109.5L469 D470L469-L473 PolarHBondContact O-N 2.93Å; D470-L473 PolarHBondContact O-N 2.74Å
474P28.2Very low33.3Very low105 Ų105108.4 Ų108.468%0.68266%0.655SS**  trans-66146.417826.3-31.9000110.4A472 A476A472-P474 VanDerWaalsContact O-CD 3.29Å; A472-P474 WeakPolarHBondContact O-CD 3.32Å; P474-A476 PolarHBondContact O-N 2.8Å
475P29.8Very low32.6Very low113 Ų113114 Ų11473%0.73467%0.672SS**  trans-57.1133.7173.724.7-32000108.3V477P475-V477 VanDerWaalsContact C-N 3.3Å; P475-V477 PolarHBondContact O-N 2.89Å
476A30.1Very low32.2Very low60 Ų60122.2 Ų122.250%0.49669%0.691SS.*  trans-60.489.9-175.600000110.9Q264 P474Q264-A476 PolarHBondContact NE2-O 2.87Å; P474-A476 PolarHBondContact O-N 2.8Å
477V28.3Very low31.8Very low108 Ų108121.2 Ų121.266%0.65569%0.691SS**  trans-95.7115.2167.1-179.30000106.5P475 T479P475-V477 VanDerWaalsContact C-N 3.3Å; P475-V477 PolarHBondContact O-N 2.89Å; V477-T479 PolarHBondContact O-N 2.84Å
478A27.6Very low31.2Very low103 Ų103119.5 Ų119.585%0.85169%0.686SS**  trans-51.2104.3171.800000109.8
479T28.8Very low30.6Very low119 Ų119120.5 Ų120.573%0.7369%0.685SS**  trans-119.1116169.240.20000108.3V477V477-T479 PolarHBondContact O-N 2.84Å
480E27Very low30.3Very low194 Ų194118.4 Ų118.491%0.90768%0.684SS**  trans-52.6133.4176.5-66.6176.5133.400111.5
481G27.6Very low29.9Very low70 Ų70118.4 Ų118.472%0.72269%0.686SS**  trans64.687.9147.300000117.3
482T26Very low29.5Very low123 Ų123122 Ų12276%0.75569%0.686SS**  trans-141.620.1163.2-25.30000115.4
483L26.9Very low29.5Very low158 Ų158125.6 Ų125.683%0.82769%0.692SS**SBendtrans-102.8-3.3175.3-102.9130.7000115.4
484T28.9Very low29.5Very low111 Ų111124.3 Ų124.368%0.68170%0.697SS**SBendtrans-94.2-4.7-178.2-250000114.5
485R29.2Very low29.8Very low213 Ų213125.1 Ų125.180%0.80470%0.695SS**THydrogen-bonded Turntrans-96.6-4.3-172.8-83.5-175.5177.8175.91.2116.5
486R30.2Very low29.8Very low231 Ų231126.7 Ų126.787%0.87270%0.698SS**THydrogen-bonded Turntrans-94.2-15.5177.9-84.1-177.8159.8162.2-4.9114.5
487I32.5Very low29.9Very low117 Ų117132.2 Ų132.260%0.672%0.717SS**Hα-helixtrans-90.8-33177.2-62.9173.7000111K489 V491I487-K489 PolarHBondContact O-N 2.95Å; I487-V491 WeakPolarHBondContact O-CG2 3.48Å; I487-V491 PolarHBondContact O-N 2.94Å
488D30.7Very low30Very low100 Ų100130.3 Ų130.354%0.53572%0.72SS.*Hα-helixtrans-74.9-19.5177.3-89.7-17.3000115.1K492D488-K492 WeakPolarHBondContact O-CB 3.37Å; D488-K492 WeakPolarHBondContact O-CG 3.48Å; D488-K492 PolarHBondContact O-N 2.81Å
489K29.7Very low30.3Very low144 Ų144131.3 Ų131.363%0.62672%0.72SS**Hα-helixtrans-87.2-27.1179.2-145.1175.9-175.1-176.90112.4I487 M493I487-K489 PolarHBondContact O-N 2.95Å; K489-M493 WeakPolarHBondContact O-CG 3.42Å; K489-M493 PolarHBondContact O-N 2.9Å
490A28.5Very low30.2Very low67 Ų67134.1 Ų134.155%0.55473%0.725SS**Hα-helixtrans-76.2-34.9172.700000111.8
491V32Very low30.4Very low83 Ų83132.9 Ų132.950%0.50372%0.719SS.*Hα-helixtrans-75.5-24.7175.7176.90000112.6I487 N495I487-V491 WeakPolarHBondContact O-CG2 3.48Å; I487-V491 PolarHBondContact O-N 2.94Å; V491-N495 PolarHBondContact O-ND2 2.99Å
492K33.5Very low30.6Very low162 Ų162137.6 Ų137.670%0.70472%0.722SS**Hα-helixtrans-86.3-13.5174.1-80.5179.6175.5176.40115D488D488-K492 WeakPolarHBondContact O-CB 3.37Å; D488-K492 WeakPolarHBondContact O-CG 3.48Å; D488-K492 PolarHBondContact O-N 2.81Å
493M32.7Very low30.8Very low150 Ų150136 Ų13674%0.73972%0.717SS**Hα-helixtrans-92.6-13.1175.2-77.3177.7169.800113.2K489K489-M493 WeakPolarHBondContact O-CG 3.42Å; K489-M493 PolarHBondContact O-N 2.9Å
494A31.6Very low31Very low80 Ų80135.2 Ų135.266%0.66171%0.713SS**SBendtrans-92-7.9179.200000114.8
495N34.2Very low31.1Very low121 Ų121136.4 Ų136.465%0.64772%0.716SS**SBendtrans-113.620.7-172.7-77.2-29.4000114.8V491V491-N495 PolarHBondContact O-ND2 2.99Å
496N30.6Very low31.2Very low146 Ų146133 Ų13378%0.78171%0.712SS**  trans-123.365.3-176.1-107.74.4000112.1
497I31.4Very low31.2Very low176 Ų176129 Ų12990%0.90371%0.707SS**  trans-144.1105.6161.4-55.7179.5000107.3
498G30.4Very low31.1Very low69 Ų69128.4 Ų128.471%0.71171%0.714SS**SBendtrans150.183.6168.900000117.3
499S33.1Very low31Very low124 Ų124130.7 Ų130.787%0.86773%0.726SS**  trans60.5119144.553.50000122.3
500E27.5Very low30.9Very low178 Ų178131.1 Ų131.183%0.83273%0.734SS**  trans-61.8146.2163.3-57.5167.4136.400113.5
501Q32Very low30.9Very low168 Ų168134.9 Ų134.979%0.78574%0.744SS**  167.4123.1119.7-89.9170.50.200114
502Q30.9Very low30.7Very low168 Ų168137.2 Ų137.279%0.78576%0.759SS**  trans65.6104.2137.4-72.8179.420.100123.3
503S30.3Very low30.3Very low91 Ų91133.4 Ų133.464%0.63677%0.765SS**  73.7126.2114.971.60000123.3
504N32.2Very low30Very low140 Ų140129.9 Ų129.975%0.74977%0.768SS**  trans88.5103.6136.8-65.2-2.3000120.7
505D30.4Very low29.8Very low137 Ų137130.1 Ų130.173%0.73378%0.778SS**  74.9120.9115.9-78.9-21.5000122.8
506I31.5Very low29.6Very low141 Ų141132 Ų13272%0.72379%0.787SS**  trans95.2108.6136-60.9160.4000119.4
507N29.2Very low29.5Very low146 Ų146128.6 Ų128.678%0.78179%0.786SS**  trans39.5114.7139.9-64.9-22.7000120.4
508S29.9Very low29.5Very low106 Ų106128.2 Ų128.274%0.74178%0.78SS**  149.8133.795.656.80000112.5
509N29Very low29.5Very low147 Ų147130 Ų13079%0.78679%0.788SS**  trans66.9131.4148.4-78.5-14.1000121.5
510I28.9Very low29.4Very low153 Ų153131.8 Ų131.879%0.78578%0.783SS**  trans95.197.1152.1-57.6149.3000116.2
511N27.2Very low29.5Very low146 Ų146127.5 Ų127.578%0.78177%0.77SS**  28.5116.5126.6-151.520.8000117.4
512V28.1Very low29.4Very low132 Ų132129.3 Ų129.380%0.878%0.776SS**  162.4121.2124.6162.80000109
513G26.2Very low29.3Very low82 Ų82126.7 Ų126.785%0.84577%0.766SS**  trans74.3120.6143.800000119.3
514G26.5Very low29.4Very low77 Ų77130.3 Ų130.379%0.79477%0.773SS**  trans129.370.7156.900000114.9
515G27.1Very low29.3Very low85 Ų85132.9 Ų132.988%0.87677%0.772SS**  trans-100.2107.2171.600000111
516I29.5Very low29.5Very low161 Ų161130.1 Ų130.183%0.82676%0.761SS**  trans-64.1135.2-178.2-67.6161.9000111.2
517G28.3Very low29.6Very low74 Ų74132.5 Ų132.576%0.76377%0.767SS**  trans-70.9124.4-18000000112.9
518H31Very low29.8Very low168 Ų168128.6 Ų128.678%0.77876%0.755SS**  trans-108.8114.7160.3-91.3-64.8000108.6Q520H518-Q520 PolarHBondContact O-N 3.12Å
519A30.1Very low30.2Very low107 Ų107127.9 Ų127.988%0.88475%0.748SS**PPolyproline II helixtrans-63.4116.9172.200000110
520Q32Very low30.5Very low161 Ų161126.5 Ų126.575%0.75274%0.735SS**PPolyproline II helixtrans-78.1142.9171.7-80.3-86.7-34.200109.8H518H518-Q520 PolarHBondContact O-N 3.12Å
521P30.3Very low30.9Very low88 Ų88122.4 Ų122.457%0.57172%0.72SS**PPolyproline II helixtrans-65.4141177.329.2-32.2000109.7I523P521-I523 PolarHBondContact O-N 2.77Å
522F28.3Very low31.3Very low205 Ų205123.9 Ų123.990%0.89972%0.715SS**  trans-64.591.3-175.4-149-97.7000110.7Q524F522-Q524 PolarHBondContact O-N 3.32Å
523I30.2Very low31.8Very low113 Ų113121.2 Ų121.258%0.57971%0.707SS**  trans-77.2103.6174.2-63.5170.7000107.6P521 R525P521-I523 PolarHBondContact O-N 2.77Å; I523-R525 VanDerWaalsContact C-N 3.34Å; I523-R525 HydrophobicContact CG2-CG 4.28Å; I523-R525 PolarHBondContact O-N 3.23Å
524Q31.9Very low32.4Very low167 Ų167120.5 Ų120.578%0.7868%0.683SS**  trans-64.395.7168.2-132.4166.37.600108.4F522F522-Q524 PolarHBondContact O-N 3.32Å
525R29.2Very low33.1Very low194 Ų194123.3 Ų123.373%0.73268%0.675SS**  trans-68.5133.6178.4-70.7-173-178.7-154.51.9108.5I523I523-R525 VanDerWaalsContact C-N 3.34Å; I523-R525 HydrophobicContact CG2-CG 4.28Å; I523-R525 PolarHBondContact O-N 3.23Å
526P34.2Very low33.7Very low79 Ų79126.3 Ų126.351%0.51367%0.666SS.*  trans-70.1138.7178.127.2-15.1000107.4A528P526-A528 PolarHBondContact O-N 3.28Å
527F33.5Very low34.3Very low191 Ų191121.4 Ų121.484%0.83865%0.646SS**  trans-41.597.8176.2-81.7-92.2000110.9
528A35.2Very low34.8Very low64 Ų64121.4 Ų121.453%0.52965%0.646SS.*  trans-87.3123.5167.300000105.5P526 F530P526-A528 PolarHBondContact O-N 3.28Å; A528-F530 PolarHBondContact O-N 3.14Å
529P36.8Very low35.4Very low92 Ų92118.6 Ų118.660%0.59764%0.636SS**  trans-55.8133.7171.2-14.426.5000108.1S531P529-S531 PolarHBondContact O-N 3.3Å
530F35.4Very low35.7Very low118 Ų118118.3 Ų118.352%0.51861%0.613SS.*THydrogen-bonded Turntrans-1.6-25.9165.5-157.2-107.8000120.1A528 I534 L551 L570A528-F530 PolarHBondContact O-N 3.14Å; F530-I534 HydrophobicContact CD1-CD1 3.82Å; F530-I534 HydrophobicContact CE1-CD1 3.52Å; F530-I534 HydrophobicContact CE2-CD1 4.4Å; F530-I534 HydrophobicContact CG-CD1 4.38Å; F530-I534 HydrophobicContact CZ-CD1 3.84Å; F530-L551 HydrophobicContact CZ-CD1 4.48Å; F530-L570 HydrophobicContact CE2-CD1 4.46Å
531S36.9Very low35.8Very low66 Ų66116 Ų11646%0.46261%0.612SS.*THydrogen-bonded Turntrans-75.6-21.8-176.1-44.90000115.6P529P529-S531 PolarHBondContact O-N 3.3Å
532R36.8Very low36.2Very low178 Ų178119.1 Ų119.167%0.67262%0.624SS**THydrogen-bonded Turntrans-98.9-29.3-176-113.6-178.1-171.4160.73.2115.4I534 Q535R532-I534 VanDerWaalsContact C-N 3.33Å; R532-Q535 PolarHBondContact O-N 2.87Å
533A38.7Very low36.5Very low76 Ų76112.3 Ų112.363%0.62861%0.611SS**THydrogen-bonded Turntrans-72.2-29.517700000112
534I38.7Very low36.9Very low67 Ų67112.2 Ų112.234%0.34461%0.611SS.*THydrogen-bonded Turntrans-75.2-24.4177.3-65.1-180000112.5F530 R532 S537 Y540F530-I534 HydrophobicContact CD1-CD1 3.82Å; F530-I534 HydrophobicContact CE1-CD1 3.52Å; F530-I534 HydrophobicContact CE2-CD1 4.4Å; F530-I534 HydrophobicContact CG-CD1 4.38Å; F530-I534 HydrophobicContact CZ-CD1 3.84Å; R532-I534 VanDerWaalsContact C-N 3.33Å; I534-S537 PolarHBondContact O-OG 3.39Å; I534-Y540 HydrophobicContact CG2-CD2 4.24Å; I534-Y540 HydrophobicContact CG2-CE2 3.72Å
535Q40.2Very low37.3Very low135 Ų135109.5 Ų109.563%0.63161%0.606SS**THydrogen-bonded Turntrans-76.5-20.7177-81.8-178.3-29.500113.8R532R532-Q535 PolarHBondContact O-N 2.87Å
536Q40.7Very low37.7Very low148 Ų148106.2 Ų106.269%0.69260%0.603SS**SBendtrans-97.4-8.2-173.5-68.3-175.8-12.500113.8
537S41.5Very low38Very low59 Ų59108.1 Ų108.141%0.41361%0.605SS.*SBendtrans-96.8-2.3-175.454.80000114.9I534 L539I534-S537 PolarHBondContact O-OG 3.39Å; S537-L539 PolarHBondContact O-N 2.98Å
538G39.5Very low38.2Very low73 Ų73105.2 Ų105.275%0.75361%0.605SS**  trans61.217.3174.400000115Y540G538-Y540 PolarHBondContact O-N 3.4Å
539L43Very low38.5Very low110 Ų110104 Ų10458%0.57660%0.6SS**  trans-86.19.6-166-86.5165.9000115.6S537S537-L539 PolarHBondContact O-N 2.98Å
540Y36.7Very low39.1Very low100 Ų100101.6 Ų101.639%0.39259%0.585SS.*  trans-128.898.1177.8-70.4-79.6000112.1I534 G538 N542I534-Y540 HydrophobicContact CG2-CD2 4.24Å; I534-Y540 HydrophobicContact CG2-CE2 3.72Å; G538-Y540 PolarHBondContact O-N 3.4Å; Y540-N542 PolarHBondContact O-N 2.89Å
541P34.2Very low39.6Very low112 Ų112100 Ų10073%0.72758%0.581SS**THydrogen-bonded Turntrans-66.8117.9154.128.9-25.4000106.2
542N38.6Very low40.3Very low155 Ų155103.9 Ų103.983%0.82960%0.597SS**THydrogen-bonded Turntrans98.228.3172.6-45.3-30.9000119.3Y540 L544Y540-N542 PolarHBondContact O-N 2.89Å; N542-L544 PolarHBondContact O-N 3.36Å
543G35.4Very low41.1Very low61 Ų61103.9 Ų103.963%0.62960%0.597SS**  trans57.752.1143.800000117.8T545G543-T545 PolarHBondContact O-N 3.22Å
544L37.2Very low41.8Very low112 Ų112102.1 Ų102.159%0.58658%0.577SS**  trans-83.8106.5166.5-73.6170.4000109.5N542N542-L544 PolarHBondContact O-N 3.36Å
545T40.3Very low42.7Very low110 Ų110101.5 Ų101.568%0.67558%0.579SS**  trans-64.7165.4-178.947.10000112.4G543 E547G543-T545 PolarHBondContact O-N 3.22Å; T545-E547 PolarHBondContact O-N 3.45Å
546N39.1Very low43.3Very low124 Ų124103.1 Ų103.166%0.66358%0.58SS**SBendtrans-52.359-175.7-63.7-37.5000116.4
547E40Very low44.1Very low119 Ų119100.2 Ų100.256%0.55657%0.573SS**  trans-97.1119.8177.7-79.1-89.9138.900110.3T545 G549 S550T545-E547 PolarHBondContact O-N 3.45Å; E547-G549 PolarHBondContact O-N 2.89Å; E547-G549 VanDerWaalsContact O-N 3.09Å; E547-S550 PolarHBondContact O-N 3.39Å; E547-S550 PolarHBondContact O-OG 3.15Å
548P37.4Very low44.8Very low130 Ų130102 Ų10284%0.84457%0.574SS**THydrogen-bonded Turntrans-54117164.7-21.432.2000109.6
549G41.1Very low45.3Very low40 Ų40102 Ų10241%0.41256%0.557SS.*THydrogen-bonded Turntrans107.15.1-179.100000116.3E547 L551 N552E547-G549 PolarHBondContact O-N 2.89Å; E547-G549 VanDerWaalsContact O-N 3.09Å; G549-L551 PolarHBondContact O-N 3.48Å; G549-L551 VanDerWaalsContact O-N 3.13Å; G549-N552 WeakPolarHBondContact O-CB 3.47Å; G549-N552 PolarHBondContact O-N 2.84Å
550S49.3Very low45.7Very low40 Ų40100.8 Ų100.828%0.2855%0.548SS..G310 helixtrans-54-30.1174.5-52.90000114.1E547 N552 R553E547-S550 PolarHBondContact O-N 3.39Å; E547-S550 PolarHBondContact O-OG 3.15Å; S550-N552 PolarHBondContact O-N 3.35Å; S550-R553 PolarHBondContact O-N 3.45Å; S550-R553 VanDerWaalsContact O-N 3.13Å
551L47.5Very low46.6Very low84 Ų84102.7 Ų102.744%0.4456%0.561SS.*G310 helixtrans-61-26.6176.1-70.5168.2000113F530 G549 R553 L554 L562F530-L551 HydrophobicContact CZ-CD1 4.48Å; G549-L551 PolarHBondContact O-N 3.48Å; G549-L551 VanDerWaalsContact O-N 3.13Å; L551-R553 PolarHBondContact O-N 2.82Å; L551-L554 HydrophobicContact CD2-CD1 4.09Å; L551-L554 PolarHBondContact O-N 3.08Å; L551-L562 HydrophobicContact CD2-CD2 4.38Å
552N50.3Low47.5Very low149 Ų149100 Ų10080%0.79754%0.54SS*.G310 helixtrans-72.8-5.5178.4-66.3-19.3000113.4G549 S550G549-N552 WeakPolarHBondContact O-CB 3.47Å; G549-N552 PolarHBondContact O-N 2.84Å; S550-N552 PolarHBondContact O-N 3.35Å
553R53.4Low48Very low177 Ų17798.7 Ų98.767%0.66853%0.532SS*.G310 helixtrans-102.7-5.5-178.6-57.1-171.4-169.6-157.65.7113.8S550 L551S550-R553 PolarHBondContact O-N 3.45Å; S550-R553 VanDerWaalsContact O-N 3.13Å; L551-R553 PolarHBondContact O-N 2.82Å
554L54.6Low48.8Very low39 Ų39102.8 Ų102.820%0.20454%0.538CS..SBendtrans-80.7137.6178.8-65.2171.2000110.3L551 E558 L559L551-L554 HydrophobicContact CD2-CD1 4.09Å; L551-L554 PolarHBondContact O-N 3.08Å; L554-E558 HydrophobicContact CB-CB 4.15Å; L554-E558 HydrophobicContact CD2-CB 4.03Å; L554-L559 HydrophobicContact CB-CD2 4.44Å; L554-L559 HydrophobicContact CB-CG 3.95Å; L554-L559 HydrophobicContact CD1-CD2 4.28Å
555S57.7Low49.5Very low55 Ų55101.1 Ų101.139%0.38554%0.536SS..  trans-66.7159.8168.465.70000111.1T557 E558 L559S555-T557 PolarHBondContact O-N 2.84Å; S555-E558 VanDerWaalsContact CB-OE2 3.29Å; S555-E558 WeakPolarHBondContact CB-OE2 3.44Å; S555-E558 PolarHBondContact N-OE2 3.49Å; S555-E558 PolarHBondContact O-N 2.71Å; S555-E558 VanDerWaalsContact OG-CD 3.24Å; S555-E558 VanDerWaalsContact OG-CG 3.25Å; S555-E558 WeakPolarHBondContact OG-CG 3.42Å; S555-E558 PolarHBondContact OG-N 3.44Å; S555-E558 PolarHBondContact OG-OE2 3.1Å; S555-L559 PolarHBondContact O-N 3.16Å
556Y51.7Low50Low168 Ų16899.4 Ų99.466%0.65952%0.522SS*.Hα-helixtrans-55-39.4178-177.5-93.6000112.2L559 E560Y556-L559 PolarHBondContact O-N 3.28Å; Y556-E560 HydrophobicContact CD1-CG 4.42Å; Y556-E560 HydrophobicContact CE1-CG 3.95Å; Y556-E560 WeakPolarHBondContact CE1-OE1 3.35Å; Y556-E560 VanDerWaalsContact CZ-OE1 3.28Å; Y556-E560 PolarHBondContact O-N 3.41Å; Y556-E560 PolarHBondContact OH-OE1 2.9Å
557T57.7Low50.9Low88 Ų8898 Ų9854%0.5452%0.518SS..Hα-helixtrans-67.4-37.5177-39.60000112.7S555 E560 Q561S555-T557 PolarHBondContact O-N 2.84Å; T557-E560 PolarHBondContact O-N 2.8Å; T557-Q561 WeakPolarHBondContact O-CG 3.36Å; T557-Q561 PolarHBondContact O-N 2.91Å
558E56.4Low51.4Low95 Ų9598.6 Ų98.644%0.44453%0.525SS..Hα-helixtrans-70.8-36.1176.3-71.6164136.800111.6L554 S555 Q561 L562L554-E558 HydrophobicContact CB-CB 4.15Å; L554-E558 HydrophobicContact CD2-CB 4.03Å; S555-E558 VanDerWaalsContact CB-OE2 3.29Å; S555-E558 WeakPolarHBondContact CB-OE2 3.44Å; S555-E558 PolarHBondContact N-OE2 3.49Å; S555-E558 PolarHBondContact O-N 2.71Å; S555-E558 VanDerWaalsContact OG-CD 3.24Å; S555-E558 VanDerWaalsContact OG-CG 3.25Å; S555-E558 WeakPolarHBondContact OG-CG 3.42Å; S555-E558 PolarHBondContact OG-N 3.44Å; S555-E558 PolarHBondContact OG-OE2 3.1Å; E558-Q561 PolarHBondContact O-N 3.15Å; E558-L562 WeakPolarHBondContact O-CB 3.45Å; E558-L562 PolarHBondContact O-N 2.92Å
559L49.3Very low51.7Low74 Ų7498.2 Ų98.239%0.38752%0.516SS..Hα-helixtrans-63.7-43171.4-79.9161.9000111.6L554 S555 Y556 L562 L563L554-L559 HydrophobicContact CB-CD2 4.44Å; L554-L559 HydrophobicContact CB-CG 3.95Å; L554-L559 HydrophobicContact CD1-CD2 4.28Å; S555-L559 PolarHBondContact O-N 3.16Å; Y556-L559 PolarHBondContact O-N 3.28Å; L559-L562 WeakPolarHBondContact O-CB 3.25Å; L559-L562 PolarHBondContact O-N 2.88Å; L559-L563 WeakPolarHBondContact O-CB 3.5Å; L559-L563 PolarHBondContact O-N 3.25Å
560E52.2Low52.1Low85 Ų8598.4 Ų98.440%0.39751%0.507SS..Hα-helixtrans-62.8-42.2175.4-82-174.9158.400112.3Y556 T557 L563 I564Y556-E560 HydrophobicContact CD1-CG 4.42Å; Y556-E560 HydrophobicContact CE1-CG 3.95Å; Y556-E560 WeakPolarHBondContact CE1-OE1 3.35Å; Y556-E560 VanDerWaalsContact CZ-OE1 3.28Å; Y556-E560 PolarHBondContact O-N 3.41Å; Y556-E560 PolarHBondContact OH-OE1 2.9Å; T557-E560 PolarHBondContact O-N 2.8Å; E560-L563 WeakPolarHBondContact O-CB 3.46Å; E560-L563 PolarHBondContact O-N 2.88Å; E560-I564 WeakPolarHBondContact O-CD1 3.48Å; E560-I564 VanDerWaalsContact O-CG1 3.24Å; E560-I564 WeakPolarHBondContact O-CG1 3.42Å; E560-I564 PolarHBondContact O-N 2.87Å
561Q54.7Low52.2Low139 Ų139101.2 Ų101.265%0.6552%0.516SS*.Hα-helixtrans-65.8-37.7175.1-74-168.7-1.400112.7T557 E558T557-Q561 WeakPolarHBondContact O-CG 3.36Å; T557-Q561 PolarHBondContact O-N 2.91Å; E558-Q561 PolarHBondContact O-N 3.15Å
562L53.8Low52.4Low55 Ų55101 Ų10129%0.28852%0.519SS..Hα-helixtrans-59.6-50.4171.6-139.489.2000109.2L551 E558 L559 I564 S565 L566L551-L562 HydrophobicContact CD2-CD2 4.38Å; E558-L562 WeakPolarHBondContact O-CB 3.45Å; E558-L562 PolarHBondContact O-N 2.92Å; L559-L562 WeakPolarHBondContact O-CB 3.25Å; L559-L562 PolarHBondContact O-N 2.88Å; L562-I564 VanDerWaalsContact C-N 3.32Å; L562-I564 PolarHBondContact O-N 3.46Å; L562-S565 PolarHBondContact O-N 2.92Å; L562-S565 PolarHBondContact O-OG 3.16Å; L562-L566 VanDerWaalsContact C-CD1 3.44Å; L562-L566 HydrophobicContact CB-CD1 4.23Å; L562-L566 HydrophobicContact CD2-CD1 4.05Å; L562-L566 HydrophobicContact CG-CD1 4.01Å; L562-L566 WeakPolarHBondContact O-CD1 3.49Å; L562-L566 WeakPolarHBondContact O-CG 3.15Å
563L48.4Very low52.3Low129 Ų12998.1 Ų98.168%0.67550%0.5SS*.Hα-helixtrans-57.2-38.8-177.3-148.186.6000113.3L559 E560 S565L559-L563 WeakPolarHBondContact O-CB 3.5Å; L559-L563 PolarHBondContact O-N 3.25Å; E560-L563 WeakPolarHBondContact O-CB 3.46Å; E560-L563 PolarHBondContact O-N 2.88Å; L563-S565 VanDerWaalsContact C-N 3.26Å; L563-S565 PolarHBondContact O-N 3.49Å
564I54Low52Low147 Ų14794.2 Ų94.275%0.75449%0.492SS*.Hα-helixtrans-71.1-21.7-179.2-67.7161.5000112.2E560 L562E560-I564 WeakPolarHBondContact O-CD1 3.48Å; E560-I564 VanDerWaalsContact O-CG1 3.24Å; E560-I564 WeakPolarHBondContact O-CG1 3.42Å; E560-I564 PolarHBondContact O-N 2.87Å; L562-I564 VanDerWaalsContact C-N 3.32Å; L562-I564 PolarHBondContact O-N 3.46Å
565S50.3Low51.8Low76 Ų76100.2 Ų100.253%0.53151%0.512SS..THydrogen-bonded Turntrans-97.21.4-176.472.80000114.8L562 L563L562-S565 PolarHBondContact O-N 2.92Å; L562-S565 PolarHBondContact O-OG 3.16Å; L563-S565 VanDerWaalsContact C-N 3.26Å; L563-S565 PolarHBondContact O-N 3.49Å
566L51.9Low51.5Low75 Ų75101.1 Ų101.139%0.39351%0.513SS..  trans-106.1124.6-163.3-79.2161.2000112.7L562 L570L562-L566 VanDerWaalsContact C-CD1 3.44Å; L562-L566 HydrophobicContact CB-CD1 4.23Å; L562-L566 HydrophobicContact CD2-CD1 4.05Å; L562-L566 HydrophobicContact CG-CD1 4.01Å; L562-L566 WeakPolarHBondContact O-CD1 3.49Å; L562-L566 WeakPolarHBondContact O-CG 3.15Å; L566-L570 HydrophobicContact CB-CD2 4.36Å; L566-L570 HydrophobicContact CD1-CD2 3.78Å; L566-L570 HydrophobicContact CD2-CD2 3.57Å; L566-L570 HydrophobicContact CG-CD2 4.11Å
567T56.6Low51.4Low94 Ų9497.5 Ų97.558%0.57750%0.504SS*.  trans-66.1155.4-175.8500000113.4D569 L570T567-D569 PolarHBondContact O-N 2.88Å; T567-L570 PolarHBondContact O-N 2.85Å
568N51.8Low51Low132 Ų13296.2 Ų96.271%0.70650%0.502SS*.Hα-helixtrans-46.5-25.6176.8-74-27.7000114.6E571 T572N568-E571 PolarHBondContact O-N 3.07Å; N568-T572 PolarHBondContact O-N 3.32Å; N568-T572 PolarHBondContact O-OG1 3.32Å
569D42.9Very low50.8Low122 Ų12294.3 Ų94.365%0.65250%0.497SS*.Hα-helixtrans-66.1-35.4179-59.1-33.5000112.6T567 E573T567-D569 PolarHBondContact O-N 2.88Å; D569-E573 PolarHBondContact O-N 3.28Å
570L50.5Low51Low43 Ų4396.4 Ų96.423%0.22550%0.5CS..Hα-helixtrans-77.2-30.4178.9-16377.4000112.2F530 L566 T567 T572 E573 L574F530-L570 HydrophobicContact CE2-CD1 4.46Å; L566-L570 HydrophobicContact CB-CD2 4.36Å; L566-L570 HydrophobicContact CD1-CD2 3.78Å; L566-L570 HydrophobicContact CD2-CD2 3.57Å; L566-L570 HydrophobicContact CG-CD2 4.11Å; T567-L570 PolarHBondContact O-N 2.85Å; L570-T572 VanDerWaalsContact C-N 3.3Å; L570-T572 PolarHBondContact O-N 3.19Å; L570-E573 PolarHBondContact O-N 2.82Å; L570-L574 HydrophobicContact CD2-CD1 4.32Å; L570-L574 HydrophobicContact CG-CD1 4.34Å; L570-L574 WeakPolarHBondContact O-CB 3.46Å; L570-L574 PolarHBondContact O-N 3.36Å
571E50.5Low51Low99 Ų99100.4 Ų100.446%0.46351%0.513SS..Hα-helixtrans-63.1-41.6175.1-163.1-170.7155.800110.8N568 L574 R575N568-E571 PolarHBondContact O-N 3.07Å; E571-L574 PolarHBondContact O-N 2.85Å; E571-R575 WeakPolarHBondContact O-CB 3.35Å; E571-R575 WeakPolarHBondContact O-CG 3.3Å; E571-R575 PolarHBondContact O-N 3.37Å; E571-R575 IonicContact OE1-CZ 3.43Å; E571-R575 IonicContact OE1-NE 3.55Å; E571-R575 PolarHBondContact OE1-NE 3.03Å; E571-R575 IonicContact OE1-NH2 2.69Å; E571-R575 PolarHBondContact OE1-NH2 3.31Å
572T52.5Low51.1Low81 Ų81102.7 Ų102.750%0.49752%0.515SS..Hα-helixtrans-63.6-42.9174.9-55.50000111.2N568 L570 R575 N576N568-T572 PolarHBondContact O-N 3.32Å; N568-T572 PolarHBondContact O-OG1 3.32Å; L570-T572 VanDerWaalsContact C-N 3.3Å; L570-T572 PolarHBondContact O-N 3.19Å; T572-R575 PolarHBondContact O-N 3.38Å; T572-N576 WeakPolarHBondContact O-CB 3.23Å; T572-N576 VanDerWaalsContact O-CG 3.24Å; T572-N576 PolarHBondContact O-N 3.09Å; T572-N576 PolarHBondContact O-ND2 3.35Å
573E48.1Very low51.1Low88 Ų88103.4 Ų103.441%0.41152%0.517SS..Hα-helixtrans-67.4-38.1176.6-78.2-157.7156.800113.7D569 L570 N576 L577D569-E573 PolarHBondContact O-N 3.28Å; L570-E573 PolarHBondContact O-N 2.82Å; E573-N576 PolarHBondContact O-N 2.63Å; E573-L577 WeakPolarHBondContact O-CB 3.45Å; E573-L577 PolarHBondContact O-N 2.94Å
574L46.5Very low51.8Low95 Ų95102.4 Ų102.450%0.49751%0.507SS..Hα-helixtrans-66.1-40.9174.9-84.7166.2000111.8L570 E571 N576 L577 A578L570-L574 HydrophobicContact CD2-CD1 4.32Å; L570-L574 HydrophobicContact CG-CD1 4.34Å; L570-L574 WeakPolarHBondContact O-CB 3.46Å; L570-L574 PolarHBondContact O-N 3.36Å; E571-L574 PolarHBondContact O-N 2.85Å; L574-N576 VanDerWaalsContact C-N 3.34Å; L574-L577 PolarHBondContact O-N 3.26Å; L574-A578 WeakPolarHBondContact O-CB 3.29Å; L574-A578 PolarHBondContact O-N 2.85Å
575R50.7Low52.4Low164 Ų164102.7 Ų102.762%0.61950%0.499SS*.Hα-helixtrans-60.2-45.1171.6-73.8178.6-174.2-139.66.3110.8E571 T572 L577 A578 V579E571-R575 WeakPolarHBondContact O-CB 3.35Å; E571-R575 WeakPolarHBondContact O-CG 3.3Å; E571-R575 PolarHBondContact O-N 3.37Å; E571-R575 IonicContact OE1-CZ 3.43Å; E571-R575 IonicContact OE1-NE 3.55Å; E571-R575 PolarHBondContact OE1-NE 3.03Å; E571-R575 IonicContact OE1-NH2 2.69Å; E571-R575 PolarHBondContact OE1-NH2 3.31Å; T572-R575 PolarHBondContact O-N 3.38Å; R575-L577 VanDerWaalsContact C-N 3.34Å; R575-L577 PolarHBondContact O-N 3.23Å; R575-A578 PolarHBondContact O-N 3.23Å; R575-V579 VanDerWaalsContact O-CG2 3.27Å; R575-V579 WeakPolarHBondContact O-CG2 3.43Å; R575-V579 PolarHBondContact O-N 3.07Å
576N51.8Low53.2Low75 Ų75102.9 Ų102.940%0.40149%0.491SS..Hα-helixtrans-64.5-36.2176.6-73.4-28000112.9T572 E573 L574 R580T572-N576 WeakPolarHBondContact O-CB 3.23Å; T572-N576 VanDerWaalsContact O-CG 3.24Å; T572-N576 PolarHBondContact O-N 3.09Å; T572-N576 PolarHBondContact O-ND2 3.35Å; E573-N576 PolarHBondContact O-N 2.63Å; L574-N576 VanDerWaalsContact C-N 3.34Å; N576-R580 WeakPolarHBondContact O-CB 3.24Å; N576-R580 WeakPolarHBondContact O-CG 3.32Å; N576-R580 PolarHBondContact O-N 3.03Å; N576-R580 PolarHBondContact O-NE 3.43Å
577L49.5Very low53.8Low91 Ų91102.7 Ų102.748%0.47650%0.495SS..Hα-helixtrans-69.6-42175.6-168.470000111.5E573 L574 R575 R580 Y581E573-L577 WeakPolarHBondContact O-CB 3.45Å; E573-L577 PolarHBondContact O-N 2.94Å; L574-L577 PolarHBondContact O-N 3.26Å; R575-L577 VanDerWaalsContact C-N 3.34Å; R575-L577 PolarHBondContact O-N 3.23Å; L577-R580 PolarHBondContact O-N 2.83Å; L577-Y581 WeakPolarHBondContact O-CB 3.47Å; L577-Y581 PolarHBondContact O-N 2.7Å
578A49.3Very low54.3Low61 Ų61103.8 Ų103.850%0.50450%0.496SS..Hα-helixtrans-62.5-42.6176.200000111.9L574 R575 Y581 R582L574-A578 WeakPolarHBondContact O-CB 3.29Å; L574-A578 PolarHBondContact O-N 2.85Å; R575-A578 PolarHBondContact O-N 3.23Å; A578-Y581 PolarHBondContact O-N 3.07Å; A578-R582 WeakPolarHBondContact O-CB 3.45Å; A578-R582 PolarHBondContact O-N 2.87Å
579V51.3Low54.9Low55 Ų55100.6 Ų100.633%0.33348%0.479SS..Hα-helixtrans-60.4-47.7173.7171.10000110.7K167 R575 Y581 R582 H583K167-V579 HydrophobicContact CD-CG1 4.28Å; K167-V579 HydrophobicContact CG-CG1 4.47Å; R575-V579 VanDerWaalsContact O-CG2 3.27Å; R575-V579 WeakPolarHBondContact O-CG2 3.43Å; R575-V579 PolarHBondContact O-N 3.07Å; V579-Y581 PolarHBondContact O-N 3.04Å; V579-R582 PolarHBondContact O-N 3.36Å; V579-H583 WeakPolarHBondContact CG1-NE2 3.24Å; V579-H583 PolarHBondContact O-N 2.83Å
580R53.1Low56.4Low119 Ų11998.7 Ų98.745%0.44947%0.469SS..Hα-helixtrans-60.1-45.3176.6-79.1-176.3-76.1178.4-3.8112.9N576 L577 R582 H583 K584N576-R580 WeakPolarHBondContact O-CB 3.24Å; N576-R580 WeakPolarHBondContact O-CG 3.32Å; N576-R580 PolarHBondContact O-N 3.03Å; N576-R580 PolarHBondContact O-NE 3.43Å; L577-R580 PolarHBondContact O-N 2.83Å; R580-R582 VanDerWaalsContact C-N 3.29Å; R580-R582 PolarHBondContact O-N 3.11Å; R580-H583 PolarHBondContact O-N 3.38Å; R580-K584 PolarHBondContact O-N 2.79Å
581Y53.8Low57.5Low169 Ų16999.2 Ų99.266%0.66348%0.479SS*.Hα-helixtrans-63.5-37.1179-142.8-91.2000111.5L577 A578 V579 R585L577-Y581 WeakPolarHBondContact O-CB 3.47Å; L577-Y581 PolarHBondContact O-N 2.7Å; A578-Y581 PolarHBondContact O-N 3.07Å; V579-Y581 PolarHBondContact O-N 3.04Å; Y581-R585 WeakPolarHBondContact O-CB 3.4Å; Y581-R585 PolarHBondContact O-N 3.02Å
582R55.2Low58.6Low186 Ų18698.9 Ų98.970%0.70248%0.48SS*.Hα-helixtrans-65.9-43.7175.4-157.5175.3-166.1163.62.6111.5A578 V579 R580 Q586A578-R582 WeakPolarHBondContact O-CB 3.45Å; A578-R582 PolarHBondContact O-N 2.87Å; V579-R582 PolarHBondContact O-N 3.36Å; R580-R582 VanDerWaalsContact C-N 3.29Å; R580-R582 PolarHBondContact O-N 3.11Å; R582-Q586 WeakPolarHBondContact O-CB 3.16Å; R582-Q586 PolarHBondContact O-N 3.41Å
583H55.3Low59.7Low70 Ų7097.8 Ų97.832%0.32448%0.479SS..Hα-helixtrans-71.6-30.5179.7-66.3-21.8000114.6K167 V579 R580 P587K167-H583 WeakPolarHBondContact CA-NE2 3.32Å; K167-H583 WeakPolarHBondContact CB-NE2 3.09Å; K167-H583 WeakPolarHBondContact CG-CD2 3.24Å; K167-H583 WeakPolarHBondContact CG-NE2 3.38Å; K167-H583 PolarHBondContact O-CE1 2.96Å; K167-H583 VanDerWaalsContact O-CE1 3.32Å; V579-H583 WeakPolarHBondContact CG1-NE2 3.24Å; V579-H583 PolarHBondContact O-N 2.83Å; R580-H583 PolarHBondContact O-N 3.38Å; H583-P587 WeakPolarHBondContact O-CD 3.41Å; H583-P587 VanDerWaalsContact O-CG 3.27Å; H583-P587 WeakPolarHBondContact O-CG 3.28Å
584K62.1Low61.1Low109 Ų10999.4 Ų99.447%0.47449%0.486SS..Hα-helixtrans-77.4-37.5173.4-81.5-169.3157.4-174.80113.1E185 R580E185-K584 WeakPolarHBondContact OE1-CE 3.42Å; E185-K584 IonicContact OE1-NZ 3.96Å; E185-K584 PolarHBondContact OE1-NZ 3.28Å; E185-K584 WeakPolarHBondContact OE2-CE 3.45Å; E185-K584 IonicContact OE2-NZ 2.7Å; E185-K584 PolarHBondContact OE2-NZ 2.85Å; R580-K584 PolarHBondContact O-N 2.79Å
585R67.3Low62.5Low152 Ų152102.5 Ų102.557%0.57450%0.496SS*.Hα-helixtrans-79.9-37.2-175.8-172.7176.4175-131.5-1.2112.7Y581 L588 L589Y581-R585 WeakPolarHBondContact O-CB 3.4Å; Y581-R585 PolarHBondContact O-N 3.02Å; R585-L588 WeakPolarHBondContact O-CB 3.28Å; R585-L588 PolarHBondContact O-N 3.5Å; R585-L589 HydrophobicContact CG-CD1 3.87Å; R585-L589 HydrophobicContact CG-CG 4.05Å; R585-L589 WeakPolarHBondContact O-CG 3.5Å; R585-L589 PolarHBondContact O-N 3.38Å
586Q65.9Low63.9Low80 Ų8098.4 Ų98.437%0.37449%0.489SS..Hα-helixtrans-63.5-47.7-173-165.163.344.700113.2R582 L588 L589 D590R582-Q586 WeakPolarHBondContact O-CB 3.16Å; R582-Q586 PolarHBondContact O-N 3.41Å; Q586-L588 PolarHBondContact O-N 2.91Å; Q586-L589 PolarHBondContact O-N 3.39Å; Q586-L589 VanDerWaalsContact O-N 3.1Å; Q586-D590 PolarHBondContact NE2-OD1 3.21Å; Q586-D590 WeakPolarHBondContact O-CB 3.18Å; Q586-D590 PolarHBondContact O-N 2.93Å
587P65.4Low65.1Low72 Ų7297.3 Ų97.347%0.46849%0.49SS..Hα-helixtrans-60.4-31.7176.2-23.134.3000112.8H583 A591H583-P587 WeakPolarHBondContact O-CD 3.41Å; H583-P587 VanDerWaalsContact O-CG 3.27Å; H583-P587 WeakPolarHBondContact O-CG 3.28Å; P587-A591 WeakPolarHBondContact O-CB 3.34Å; P587-A591 PolarHBondContact O-N 2.94Å
588L67.1Low66.3Low117 Ų11797.3 Ų97.361%0.61349%0.488SS*.Hα-helixtrans-71.9-41.7177.1-145.4113.1000111.5R585 Q586 I592R585-L588 WeakPolarHBondContact O-CB 3.28Å; R585-L588 PolarHBondContact O-N 3.5Å; Q586-L588 PolarHBondContact O-N 2.91Å; L588-I592 HydrophobicContact CD2-CD1 4.18Å; L588-I592 WeakPolarHBondContact O-CB 3.45Å; L588-I592 WeakPolarHBondContact O-CD1 3.38Å; L588-I592 WeakPolarHBondContact O-CG1 3.26Å; L588-I592 PolarHBondContact O-N 3.29Å
589L65.3Low67.4Low65 Ų6597 Ų9734%0.3449%0.486SS..Hα-helixtrans-65.8-41.5173.8-70.8175.6000111.7R585 Q586 I592 A593R585-L589 HydrophobicContact CG-CD1 3.87Å; R585-L589 HydrophobicContact CG-CG 4.05Å; R585-L589 WeakPolarHBondContact O-CG 3.5Å; R585-L589 PolarHBondContact O-N 3.38Å; Q586-L589 PolarHBondContact O-N 3.39Å; Q586-L589 VanDerWaalsContact O-N 3.1Å; L589-I592 PolarHBondContact O-N 3.07Å; L589-A593 WeakPolarHBondContact O-CB 3.35Å; L589-A593 PolarHBondContact O-N 2.84Å
590D73.1Confident68.4Low82 Ų8297.4 Ų97.444%0.43949%0.491SS..Hα-helixtrans-65.3-44.1177.8-64.5-16.9000110.4Q586 I592 A593 E594Q586-D590 PolarHBondContact NE2-OD1 3.21Å; Q586-D590 WeakPolarHBondContact O-CB 3.18Å; Q586-D590 PolarHBondContact O-N 2.93Å; D590-I592 VanDerWaalsContact C-N 3.33Å; D590-I592 PolarHBondContact O-N 2.86Å; D590-A593 PolarHBondContact O-N 2.97Å; D590-E594 WeakPolarHBondContact O-CB 3.41Å; D590-E594 PolarHBondContact O-N 3.18Å
591A73.6Confident69Low53 Ų5398.2 Ų98.244%0.43850%0.501SS..Hα-helixtrans-62.8-37.2174.300000112.6P587 K595P587-A591 WeakPolarHBondContact O-CB 3.34Å; P587-A591 PolarHBondContact O-N 2.94Å; A591-K595 WeakPolarHBondContact O-CB 3.38Å; A591-K595 PolarHBondContact O-N 3.45Å
592I74.7Confident69.3Low93 Ų9397.6 Ų97.648%0.47750%0.502SS..Hα-helixtrans-66.8-44.5173.4-71.3164.9000110.4L588 L589 D590 K595 T596L588-I592 HydrophobicContact CD2-CD1 4.18Å; L588-I592 WeakPolarHBondContact O-CB 3.45Å; L588-I592 WeakPolarHBondContact O-CD1 3.38Å; L588-I592 WeakPolarHBondContact O-CG1 3.26Å; L588-I592 PolarHBondContact O-N 3.29Å; L589-I592 PolarHBondContact O-N 3.07Å; D590-I592 VanDerWaalsContact C-N 3.33Å; D590-I592 PolarHBondContact O-N 2.86Å; I592-K595 PolarHBondContact O-N 3.25Å; I592-T596 VanDerWaalsContact O-CB 3.3Å; I592-T596 WeakPolarHBondContact O-CB 3.4Å; I592-T596 PolarHBondContact O-N 3.02Å; I592-T596 PolarHBondContact O-OG1 3.12Å
593A74.4Confident69.4Low58 Ų5892.3 Ų92.348%0.47949%0.49SS..Hα-helixtrans-63.6-44.3178.900000111.4L589 D590 T596 A597L589-A593 WeakPolarHBondContact O-CB 3.35Å; L589-A593 PolarHBondContact O-N 2.84Å; D590-A593 PolarHBondContact O-N 2.97Å; A593-T596 PolarHBondContact O-N 3.13Å; A593-A597 WeakPolarHBondContact O-CB 3.44Å; A593-A597 PolarHBondContact O-N 3.02Å
594E77.1Confident69.4Low121 Ų12192.6 Ų92.657%0.56550%0.497SS*.Hα-helixtrans-63-46.9176.5-165.8-169.8168.200111.1D590 T596 A597 Q598D590-E594 WeakPolarHBondContact O-CB 3.41Å; D590-E594 PolarHBondContact O-N 3.18Å; E594-T596 VanDerWaalsContact C-N 3.29Å; E594-T596 PolarHBondContact O-N 3.14Å; E594-A597 PolarHBondContact O-N 2.9Å; E594-Q598 WeakPolarHBondContact O-CB 3.27Å; E594-Q598 VanDerWaalsContact O-CG 3.29Å; E594-Q598 WeakPolarHBondContact O-CG 3.22Å; E594-Q598 PolarHBondContact O-N 3.27Å; E594-Q598 PolarHBondContact OE1-NE2 3.1Å
595K77.5Confident68.9Low160 Ų16093.6 Ų93.670%0.69651%0.508SS*.Hα-helixtrans-61.4-37.9174.3-96.6-158.8173.2-174.30112.7A591 I592 A599A591-K595 WeakPolarHBondContact O-CB 3.38Å; A591-K595 PolarHBondContact O-N 3.45Å; I592-K595 PolarHBondContact O-N 3.25Å; K595-A599 VanDerWaalsContact O-CB 3.25Å; K595-A599 WeakPolarHBondContact O-CB 3.43Å; K595-A599 PolarHBondContact O-N 2.97Å
596T78.8Confident68.2Low78 Ų7891.6 Ų91.648%0.47951%0.513SS..Hα-helixtrans-69.9-37.7178.6-54.60000111I592 A593 E594 S600I592-T596 VanDerWaalsContact O-CB 3.3Å; I592-T596 WeakPolarHBondContact O-CB 3.4Å; I592-T596 PolarHBondContact O-N 3.02Å; I592-T596 PolarHBondContact O-OG1 3.12Å; A593-T596 PolarHBondContact O-N 3.13Å; E594-T596 VanDerWaalsContact C-N 3.29Å; E594-T596 PolarHBondContact O-N 3.14Å; T596-S600 WeakPolarHBondContact O-CB 3.23Å; T596-S600 PolarHBondContact O-N 2.9Å; T596-S600 PolarHBondContact O-OG 2.75Å
597A76.6Confident67.5Low52 Ų5294.5 Ų94.543%0.4353%0.528SS..Hα-helixtrans-67.6-45.6174.300000111.7A593 E594 A599 S600 M601A593-A597 WeakPolarHBondContact O-CB 3.44Å; A593-A597 PolarHBondContact O-N 3.02Å; E594-A597 PolarHBondContact O-N 2.9Å; A597-A599 VanDerWaalsContact C-N 3.33Å; A597-A599 PolarHBondContact O-N 2.89Å; A597-S600 PolarHBondContact O-N 2.98Å; A597-M601 WeakPolarHBondContact O-CB 3.35Å; A597-M601 WeakPolarHBondContact O-CG 3.1Å; A597-M601 PolarHBondContact O-N 2.78Å
598Q75.1Confident66.8Low92 Ų9297.4 Ų97.443%0.4354%0.54SS..Hα-helixtrans-62.6-38.8175.1-71178.817.300111.9E594 K602E594-Q598 WeakPolarHBondContact O-CB 3.27Å; E594-Q598 VanDerWaalsContact O-CG 3.29Å; E594-Q598 WeakPolarHBondContact O-CG 3.22Å; E594-Q598 PolarHBondContact O-N 3.27Å; E594-Q598 PolarHBondContact OE1-NE2 3.1Å; Q598-K602 WeakPolarHBondContact O-CB 3.3Å; Q598-K602 WeakPolarHBondContact O-CG 3.24Å; Q598-K602 PolarHBondContact O-N 3.02Å; Q598-K602 VanDerWaalsContact O-N 3.08Å
599A73.3Confident65.9Low55 Ų5598.9 Ų98.946%0.45555%0.548SS..Hα-helixtrans-64.4-45.7174.100000111.2K595 A597 M601 K602 T603K595-A599 VanDerWaalsContact O-CB 3.25Å; K595-A599 WeakPolarHBondContact O-CB 3.43Å; K595-A599 PolarHBondContact O-N 2.97Å; A597-A599 VanDerWaalsContact C-N 3.33Å; A597-A599 PolarHBondContact O-N 2.89Å; A599-M601 PolarHBondContact O-N 3.45Å; A599-K602 PolarHBondContact O-N 3.29Å; A599-T603 PolarHBondContact O-N 3.33Å; A599-T603 VanDerWaalsContact O-N 3.11Å; A599-T603 PolarHBondContact O-OG1 3.39Å
600S71.4Confident65Low63 Ų63102.8 Ų102.844%0.44157%0.569SS.*Hα-helixtrans-65.9-35.8179.4-58.30000113.1T596 A597 T603 T604T596-S600 WeakPolarHBondContact O-CB 3.23Å; T596-S600 PolarHBondContact O-N 2.9Å; T596-S600 PolarHBondContact O-OG 2.75Å; A597-S600 PolarHBondContact O-N 2.98Å; S600-T603 WeakPolarHBondContact CA-OG1 3.43Å; S600-T603 PolarHBondContact O-N 2.74Å; S600-T603 PolarHBondContact O-OG1 2.62Å; S600-T604 PolarHBondContact O-N 3.4Å; S600-T604 PolarHBondContact O-OG1 3.4Å
601M65.6Low63.6Low135 Ų135105.1 Ų105.167%0.66559%0.586SS**Hα-helixtrans-70.6-33.8174.3-75.6-169.1162.200112.6A597 A599 T604 N605A597-M601 WeakPolarHBondContact O-CB 3.35Å; A597-M601 WeakPolarHBondContact O-CG 3.1Å; A597-M601 PolarHBondContact O-N 2.78Å; A599-M601 PolarHBondContact O-N 3.45Å; M601-T604 WeakPolarHBondContact CA-OG1 3.41Å; M601-T604 PolarHBondContact O-N 2.73Å; M601-T604 PolarHBondContact O-OG1 2.98Å; M601-N605 WeakPolarHBondContact O-CB 3.38Å; M601-N605 PolarHBondContact O-N 2.78Å
602K61Low62.3Low157 Ų157108.6 Ų108.668%0.68360%0.602SS**Hα-helixtrans-68.3-35173.6-77.8176.7179.9177.30112.1Q598 A599 T606Q598-K602 WeakPolarHBondContact O-CB 3.3Å; Q598-K602 WeakPolarHBondContact O-CG 3.24Å; Q598-K602 PolarHBondContact O-N 3.02Å; Q598-K602 VanDerWaalsContact O-N 3.08Å; A599-K602 PolarHBondContact O-N 3.29Å; K602-T606 PolarHBondContact O-N 3.08Å; K602-T606 PolarHBondContact O-OG1 3.16Å
603T57.1Low60.8Low74 Ų74109.8 Ų109.845%0.45462%0.616SS.*Hα-helixtrans-75.1-31.3173.611.40000113.5A599 S600 T606 M607A599-T603 PolarHBondContact O-N 3.33Å; A599-T603 VanDerWaalsContact O-N 3.11Å; A599-T603 PolarHBondContact O-OG1 3.39Å; S600-T603 WeakPolarHBondContact CA-OG1 3.43Å; S600-T603 PolarHBondContact O-N 2.74Å; S600-T603 PolarHBondContact O-OG1 2.62Å; T603-T606 PolarHBondContact O-OG1 2.57Å; T603-M607 WeakPolarHBondContact O-CG 3.37Å; T603-M607 PolarHBondContact O-N 3.43Å
604T54.3Low59.4Low77 Ų77116.6 Ų116.647%0.47264%0.635SS.*Hα-helixtrans-78.5-32.3176.829.60000113.2S600 M601 T606 M607 N608S600-T604 PolarHBondContact O-N 3.4Å; S600-T604 PolarHBondContact O-OG1 3.4Å; M601-T604 WeakPolarHBondContact CA-OG1 3.41Å; M601-T604 PolarHBondContact O-N 2.73Å; M601-T604 PolarHBondContact O-OG1 2.98Å; T604-T606 VanDerWaalsContact C-N 3.28Å; T604-T606 PolarHBondContact O-N 2.9Å; T604-M607 PolarHBondContact O-N 3.34Å; T604-N608 PolarHBondContact O-N 3.33Å
605N52Low57.8Low130 Ų130116.2 Ų116.270%0.69565%0.645SS**Hα-helixtrans-77.4-9.1172.4-85.2-11000114.3M601M601-N605 WeakPolarHBondContact O-CB 3.38Å; M601-N605 PolarHBondContact O-N 2.78Å
606T52.2Low56.3Low110 Ų110116.1 Ų116.168%0.67565%0.652SS**Hα-helixtrans-96.3-12.2168.4270000114K602 T603 T604K602-T606 PolarHBondContact O-N 3.08Å; K602-T606 PolarHBondContact O-OG1 3.16Å; T603-T606 PolarHBondContact O-OG1 2.57Å; T604-T606 VanDerWaalsContact C-N 3.28Å; T604-T606 PolarHBondContact O-N 2.9Å
607M51.7Low54.6Low141 Ų141118 Ų11870%0.69567%0.666SS**Hα-helixtrans-100.3-8.1177.2-69.7-162.1-153.400115.1T603 T604T603-M607 WeakPolarHBondContact O-CG 3.37Å; T603-M607 PolarHBondContact O-N 3.43Å; T604-M607 PolarHBondContact O-N 3.34Å
608N51.3Low53Low133 Ų133123.3 Ų123.371%0.71169%0.685SS**SBendtrans-100.117.3-179.1-78.3-14.6000115.1T604T604-N608 PolarHBondContact O-N 3.33Å
609N47.7Very low51.2Low147 Ų147123.6 Ų123.679%0.78670%0.698SS**SBendtrans-123.511.1175.1-88.1-27.2000115
610D45.6Very low49.8Very low148 Ų148129.7 Ų129.779%0.79172%0.717SS**SBendtrans-139.4122170.5-97.8-39.4000110.3
611V45.1Very low48.3Very low130 Ų130136.8 Ų136.879%0.78876%0.764SS**  trans13574.7157.3-175.30000110
612T46.3Very low47.4Very low127 Ų127136.9 Ų136.978%0.77977%0.769SS**  trans-71122146.7470000108.6K614T612-K614 PolarHBondContact O-N 3.33Å
613P42.9Very low46.7Very low117 Ų117135.8 Ų135.876%0.7677%0.773SS**  trans-82.6105.2171.130.5-26.8000108.7S615P613-S615 PolarHBondContact O-N 3.47Å
614K45.8Very low46.2Very low202 Ų202139.2 Ų139.288%0.87879%0.791SS**  trans-73.5105162-82.1-175.4177.9176.40108.3T612T612-K614 PolarHBondContact O-N 3.33Å
615S43.3Very low45.7Very low112 Ų112142.9 Ų142.978%0.78381%0.809SS**  trans-67.8131.1158.246.30000109.5P613P613-S615 PolarHBondContact O-N 3.47Å
616N44.8Very low45.3Very low158 Ų158143.7 Ų143.785%0.84582%0.817SS**  trans-147.3124.8157.9-128.58.5000107.4
617P43.2Very low44.8Very low119 Ų119145.9 Ų145.977%0.77383%0.826SS**  trans-97.4132-177.134.8-28.2000111.6
618I43Very low44.3Very low163 Ų163146.3 Ų146.384%0.83684%0.835SS**  trans-14095.1159.8-59.8-179.7000104.7
619S37.5Very low43.8Very low98 Ų98147.3 Ų147.369%0.68585%0.845SS**  59.6102.998.8-170.60000114.2
620Q44.1Very low43.5Very low183 Ų183147.3 Ų147.386%0.85585%0.85SS**  166.6138.5120.7-88.7176.89.200111.6
621C39.9Very low43.3Very low211 Ų211147.3 Ų147.3100%1.42686%0.855SS**  trans80.70-176.5-65.70000117.3

Retrieved 621 of 621 residues in 848.8 ms (Link to these results)

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