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Uridine diphosphate glucose pyrophosphatase NUDT14

Cytosolic pyrophosphatase hydrolyzing the diphosphate bond in various nucleotide-sugars with a higher efficiency for UDP-alpha-D-glucose and ADP-D-ribose.

AlphaFold DB , UniProt , Accession A0A3Q0KBL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 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
1M59.4Low83Confident189 Ų18991.2 Ų91.293%0.93148%0.479SS*.  0119.80-152.4-173.4-70.800107.8E182M1-E182 PolarHBondContact N-OE2 3.03Å
2S75.6Confident83.2Confident64 Ų6495.8 Ų95.845%0.44850%0.497SS..  trans-62.1134.7-174.1175.60000112.1S95S2-S95 WeakPolarHBondContact OG-CB 3.38Å; S2-S95 PolarHBondContact OG-OG 3.36Å
3R83.9Confident83.5Confident121 Ų12197.1 Ų97.146%0.45750%0.504SS..  trans-113.1145.4-175.3-60.2-174.7179.5-176.1-1.6111.3S96 Y180R3-S96 PolarHBondContact N-OG 2.84Å; R3-S96 PolarHBondContact O-N 2.86Å; R3-Y180 VanDerWaalsContact CZ-CG 3.46Å; R3-Y180 VanDerWaalsContact NH1-CE2 3.33Å; R3-Y180 VanDerWaalsContact NH2-CB 3.26Å
4K88.2Confident83.6Confident187 Ų187103.4 Ų103.481%0.81353%0.525SS*.  trans-74.7128.6172.4-174.9176.3-179.11780109.6
5I88.8Confident83.8Confident35 Ų35106.5 Ų106.518%0.17954%0.537CS..  trans-97.3133.3169.7-53.7-57.7000108.1F63 Y68 L93I5-F63 HydrophobicContact CD1-CE1 4.23Å; I5-F63 HydrophobicContact CD1-CE2 4.49Å; I5-F63 HydrophobicContact CD1-CZ 3.95Å; I5-F63 HydrophobicContact CG1-CZ 4.42Å; I5-Y68 HydrophobicContact CB-CE1 4.34Å; I5-Y68 HydrophobicContact CG1-CE1 4.22Å; I5-Y68 HydrophobicContact CG1-CE2 4.24Å; I5-Y68 HydrophobicContact CG2-CE1 3.99Å; I5-L93 HydrophobicContact CB-CD1 4.47Å; I5-L93 HydrophobicContact CG2-CD1 3.99Å
6S86.6Confident83.8Confident85 Ų85107.8 Ų107.859%0.59456%0.555SS**  trans-138.9155.8177.355.10000110.5L8S6-L8 VanDerWaalsContact C-N 3.29Å; S6-L8 PolarHBondContact O-N 3.22Å
7S84.3Confident83.9Confident78 Ų78103.3 Ų103.355%0.54554%0.535SS..  trans55.940.4174.4-53.30000113.8N9S7-N9 PolarHBondContact O-N 2.95Å; S7-N9 PolarHBondContact O-ND2 2.81Å; S7-N9 VanDerWaalsContact O-ND2 3.12Å
8L86.9Confident83.7Confident36 Ų36107 Ų10719%0.18855%0.547CS..  trans-69.4111.6176.1179.368.2000109.8S6 V10 Y68 L72 I78 S88 L93S6-L8 VanDerWaalsContact C-N 3.29Å; S6-L8 PolarHBondContact O-N 3.22Å; L8-V10 HydrophobicContact CD1-CG2 4.14Å; L8-V10 HydrophobicContact CD2-CG2 4.36Å; L8-V10 HydrophobicContact CG-CG2 4.03Å; L8-Y68 HydrophobicContact CD2-CE1 4.15Å; L8-L72 HydrophobicContact CD2-CD1 3.49Å; L8-L72 VanDerWaalsContact CD2-CD1 3.49Å; L8-I78 HydrophobicContact CD2-CD1 4.13Å; L8-S88 PolarHBondContact O-N 2.91Å; L8-S88 PolarHBondContact O-OG 3.11Å; L8-L93 HydrophobicContact CB-CD1 3.65Å; L8-L93 HydrophobicContact CD2-CD1 4.45Å; L8-L93 HydrophobicContact CD2-CD2 4.46Å
9N85.6Confident83.5Confident77 Ų77110.9 Ų110.941%0.41256%0.555SS.*EExtended strand (participates in β ladder)trans-113.8120.6173-64.2-66.8000108.6S7 E87S7-N9 PolarHBondContact O-N 2.95Å; S7-N9 PolarHBondContact O-ND2 2.81Å; S7-N9 VanDerWaalsContact O-ND2 3.12Å; N9-E87 WeakPolarHBondContact OD1-CA 3.35Å
10V87.3Confident83.5Confident25 Ų25109.2 Ų109.215%0.15255%0.547CS..EExtended strand (participates in β ladder)trans-112.1111.1178.3-172.40000108.3L8 Y69 I78 V81 V86L8-V10 HydrophobicContact CD1-CG2 4.14Å; L8-V10 HydrophobicContact CD2-CG2 4.36Å; L8-V10 HydrophobicContact CG-CG2 4.03Å; V10-Y69 HydrophobicContact CB-CE2 4.21Å; V10-Y69 HydrophobicContact CG1-CD2 4.48Å; V10-Y69 HydrophobicContact CG1-CE1 4.09Å; V10-Y69 HydrophobicContact CG1-CE2 3.97Å; V10-Y69 HydrophobicContact CG2-CD2 3.87Å; V10-Y69 HydrophobicContact CG2-CE2 3.83Å; V10-I78 HydrophobicContact CG2-CD1 4.11Å; V10-V81 HydrophobicContact CG1-CB 4.2Å; V10-V81 HydrophobicContact CG1-CG2 4.27Å; V10-V86 PolarHBondContact N-O 3Å
11L86.3Confident83.9Confident106 Ų106109.9 Ų109.956%0.55555%0.547SS*.  trans-125.2151.3-172.6-57.7175.5000110.2P85L11-P85 HydrophobicContact CD2-CB 4.26Å
12E86Confident85.5Confident147 Ų147105.6 Ų105.669%0.68753%0.533SS*.  trans-65.8140.7169.5-172.2174.4-165.400110.1K14 V81E12-K14 PolarHBondContact O-N 2.79Å; E12-K14 VanDerWaalsContact O-N 3.13Å; E12-V81 HydrophobicContact CB-CG2 4.42Å
13L86.5Confident86.4Confident112 Ų112106.5 Ų106.559%0.58653%0.527SS*.  trans-70.2107.4173.7-67.6176.2000109.2
14K85.7Confident87Confident185 Ų185108 Ų10880%0.80453%0.533SS*.  trans-86.9-29.5175.4-63.8-177.5-179.5178.20112.8E12E12-K14 PolarHBondContact O-N 2.79Å; E12-K14 VanDerWaalsContact O-N 3.13Å
15E86.3Confident87.4Confident150 Ų150103 Ų10370%0.70151%0.513SS*.SBendtrans-111.8154.2-178.7-58.7-56148.200110.7S17E15-S17 PolarHBondContact O-N 3.3Å
16P83.5Confident87.9Confident127 Ų127106.6 Ų106.683%0.82553%0.533SS*.  trans-53.8129.3175.7-25.234.3000112
17S86.4Confident88.4Confident32 Ų32106.4 Ų106.422%0.22452%0.521CS..  trans-82.3141.9176.4166.20000111.1E15 Y19 I20E15-S17 PolarHBondContact O-N 3.3Å; S17-Y19 PolarHBondContact O-N 3.44Å; S17-Y19 PolarHBondContact OG-N 3.42Å; S17-Y19 VanDerWaalsContact OG-N 3.15Å; S17-I20 VanDerWaalsContact CB-O 3.28Å; S17-I20 WeakPolarHBondContact CB-O 3.33Å; S17-I20 PolarHBondContact OG-N 3.35Å; S17-I20 VanDerWaalsContact OG-N 3.11Å
18K79.8Confident89.1Confident170 Ų170108.6 Ų108.674%0.73953%0.526SS*.SBendtrans-62.3-33.2172.4-177.4-177.4173.4-167.60111.8
19Y78.9Confident89.6Confident182 Ų182111.5 Ų111.571%0.71454%0.538SS*.SBendtrans-104.3-35.7-168.6-58-79.2000113.3S17S17-Y19 PolarHBondContact O-N 3.44Å; S17-Y19 PolarHBondContact OG-N 3.42Å; S17-Y19 VanDerWaalsContact OG-N 3.15Å
20I84.7Confident90.2Very high76 Ų76114.9 Ų114.939%0.3956%0.557SS.*  trans-117.4120.1-177.2-56.2178.8000108S17 P22 I39S17-I20 VanDerWaalsContact CB-O 3.28Å; S17-I20 WeakPolarHBondContact CB-O 3.33Å; S17-I20 PolarHBondContact OG-N 3.35Å; S17-I20 VanDerWaalsContact OG-N 3.11Å; I20-P22 HydrophobicContact CG2-CG 4.38Å; I20-P22 WeakPolarHBondContact O-CD 3.3Å; I20-I39 HydrophobicContact CG2-CB 3.95Å; I20-I39 HydrophobicContact CG2-CG2 3.78Å
21K90.5Very high90.7Very high124 Ų124117.2 Ų117.254%0.53959%0.586SS.*EExtended strand (participates in β ladder)trans-115.394.7174.6-62.2173-175.5170.80108.9L40K21-L40 HydrophobicContact CB-CB 4.13Å; K21-L40 HydrophobicContact CB-CD1 3.94Å; K21-L40 HydrophobicContact CB-CG 4.26Å; K21-L40 HydrophobicContact CD-CD1 4.06Å; K21-L40 PolarHBondContact O-N 2.89Å
22P93.4Very high91.2Very high98 Ų98120.3 Ų120.364%0.63659%0.59SS**EExtended strand (participates in β ladder)trans-62.6142.2173.4-19.832.6000110.7I20 G38I20-P22 HydrophobicContact CG2-CG 4.38Å; I20-P22 WeakPolarHBondContact O-CD 3.3Å; P22-G38 CarbonylContact C-O 3.59Å; P22-G38 VanDerWaalsContact CA-O 3.27Å; P22-G38 WeakPolarHBondContact CA-O 3.44Å
23Y94.4Very high91.8Very high83 Ų83123.3 Ų123.333%0.32560%0.595SS.*EExtended strand (participates in β ladder)trans-140.3156.3174.865.9-88.8000110.7M25 D37 G38 I39 L40Y23-M25 HydrophobicContact CD2-CG 3.85Å; Y23-M25 HydrophobicContact CE2-CE 3.88Å; Y23-M25 HydrophobicContact CE2-CG 3.64Å; Y23-M25 HydrophobicContact CE2-SD 3.81Å; Y23-D37 WeakPolarHBondContact O-CA 3.11Å; Y23-G38 PolarHBondContact N-O 3.46Å; Y23-G38 PolarHBondContact O-N 3.2Å; Y23-I39 VanDerWaalsContact CE1-C 3.48Å; Y23-L40 HydrophobicContact CD1-CD2 4Å; Y23-L40 HydrophobicContact CD1-CG 3.9Å; Y23-L40 HydrophobicContact CE1-CD2 3.8Å; Y23-L40 HydrophobicContact CE1-CG 4.1Å
24R97.5Very high92.4Very high154 Ų154123.2 Ų123.258%0.58159%0.587SS**EExtended strand (participates in β ladder)trans-117.7124.4175.3174.9166.5-74.61741.5109.9T35 W36 D37R24-T35 VanDerWaalsContact CD-CG2 3.45Å; R24-T35 HydrophobicContact CG-CG2 3.67Å; R24-W36 CarbonylContact C-O 3.6Å; R24-W36 WeakPolarHBondContact CA-O 3.29Å; R24-D37 VanDerWaalsContact CB-OD1 3.32Å; R24-D37 WeakPolarHBondContact CB-OD1 3.5Å; R24-D37 WeakPolarHBondContact CG-OD1 3.21Å; R24-D37 IonicContact CZ-OD1 3.44Å; R24-D37 IonicContact CZ-OD2 3.67Å; R24-D37 IonicContact NE-OD1 2.7Å; R24-D37 PolarHBondContact NE-OD1 3.34Å; R24-D37 IonicContact NE-OD2 3.69Å; R24-D37 IonicContact NH2-OD1 3.31Å; R24-D37 PolarHBondContact NH2-OD1 3.14Å; R24-D37 IonicContact NH2-OD2 2.78Å; R24-D37 PolarHBondContact NH2-OD2 3.35Å
25M97.3Very high93Very high80 Ų80117.7 Ų117.739%0.39457%0.569SS.*EExtended strand (participates in β ladder)trans-94134.1170.1-63.8-177.8-7300109.7Y23 F27 T35 W36Y23-M25 HydrophobicContact CD2-CG 3.85Å; Y23-M25 HydrophobicContact CE2-CE 3.88Å; Y23-M25 HydrophobicContact CE2-CG 3.64Å; Y23-M25 HydrophobicContact CE2-SD 3.81Å; M25-F27 HydrophobicContact CB-CD1 4.35Å; M25-T35 CarbonylContact O-C 3.57Å; M25-T35 VanDerWaalsContact O-CA 3.3Å; M25-T35 WeakPolarHBondContact O-CA 3.46Å; M25-W36 HydrophobicContact CE-CB 4.25Å; M25-W36 PolarHBondContact N-O 2.89Å; M25-W36 PolarHBondContact O-N 2.83Å
26N98.2Very high93.5Very high111 Ų111117.4 Ų117.459%0.59456%0.561SS**EExtended strand (participates in β ladder)trans-120.3124.6167.9-61.2-69.1000107.6R34 T35N26-R34 WeakPolarHBondContact CA-O 3.33Å; N26-T35 PolarHBondContact OD1-OG1 3.37Å
27F98.1Very high94.1Very high81 Ų81115 Ų11536%0.35554%0.542SS..EExtended strand (participates in β ladder)trans-146167.3-176.161.6-80.5000110.9M25 Q29 R34 W36M25-F27 HydrophobicContact CB-CD1 4.35Å; F27-Q29 HydrophobicContact CD2-CB 4.16Å; F27-Q29 HydrophobicContact CE2-CB 3.97Å; F27-R34 HydrophobicContact CD1-CB 4.07Å; F27-R34 HydrophobicContact CD2-CB 4.02Å; F27-R34 HydrophobicContact CD2-CG 4.39Å; F27-R34 HydrophobicContact CE1-CB 3.7Å; F27-R34 HydrophobicContact CE2-CB 3.65Å; F27-R34 HydrophobicContact CE2-CG 3.86Å; F27-R34 HydrophobicContact CG-CB 4.22Å; F27-R34 HydrophobicContact CZ-CB 3.48Å; F27-R34 VanDerWaalsContact CZ-CB 3.48Å; F27-R34 HydrophobicContact CZ-CG 4.05Å; F27-R34 PolarHBondContact N-O 2.88Å; F27-R34 PolarHBondContact O-N 2.82Å; F27-W36 HydrophobicContact CE1-CB 4.16Å
28I98.4Very high94.6Very high124 Ų124113.8 Ų113.864%0.63653%0.533SS*.EExtended strand (participates in β ladder)trans-112.2123.4173.5-61174.9000107.1R32I28-R32 WeakPolarHBondContact CA-O 3.15Å
29Q97.2Very high95.3Very high97 Ų97107.5 Ų107.545%0.45351%0.508SS..EExtended strand (participates in β ladder)trans-120.9119.9174-176.6-178.112.700107.6F27 G31 R32 R34F27-Q29 HydrophobicContact CD2-CB 4.16Å; F27-Q29 HydrophobicContact CE2-CB 3.97Å; Q29-G31 VanDerWaalsContact C-N 3.29Å; Q29-G31 PolarHBondContact O-N 3.02Å; Q29-R32 PolarHBondContact N-O 3.21Å; Q29-R32 WeakPolarHBondContact O-CB 3.41Å; Q29-R32 PolarHBondContact O-N 3.5Å; Q29-R34 HydrophobicContact CB-CG 4.16Å
30D97.8Very high96Very high149 Ų149103.6 Ų103.680%0.79750%0.498SS*.THydrogen-bonded Turntrans51.747179.9-52.1-40.9000112.9R32D30-R32 PolarHBondContact O-N 3.28Å; D30-R32 VanDerWaalsContact O-N 3.14Å
31G97.9Very high96.3Very high74 Ų74102.3 Ų102.376%0.76350%0.5SS*.THydrogen-bonded Turntrans72.4-0.8-179.200000115Q29Q29-G31 VanDerWaalsContact C-N 3.29Å; Q29-G31 PolarHBondContact O-N 3.02Å
32R98Very high96.4Very high171 Ų171101.3 Ų101.365%0.64550%0.496SS*.EExtended strand (participates in β ladder)trans-103.8128.5179.3-60.3-176.5-176.2-171.11.8110.6I28 Q29 D30 R34I28-R32 WeakPolarHBondContact CA-O 3.15Å; Q29-R32 PolarHBondContact N-O 3.21Å; Q29-R32 WeakPolarHBondContact O-CB 3.41Å; Q29-R32 PolarHBondContact O-N 3.5Å; D30-R32 PolarHBondContact O-N 3.28Å; D30-R32 VanDerWaalsContact O-N 3.14Å; R32-R34 PolarHBondContact O-N 2.89Å
33R98.3Very high96.6Very high209 Ų209100.1 Ų100.179%0.78949%0.485SS*.EExtended strand (participates in β ladder)trans-65.2132.5171.5-172.4178-65.3-138.6-0.4109.6
34R97.8Very high96.7Very high111 Ų11197.2 Ų97.242%0.41948%0.477SS..EExtended strand (participates in β ladder)trans-124.8150175.9-60.9-59.9-173171.55.1109.5N26 F27 Q29 R32N26-R34 WeakPolarHBondContact CA-O 3.33Å; F27-R34 HydrophobicContact CD1-CB 4.07Å; F27-R34 HydrophobicContact CD2-CB 4.02Å; F27-R34 HydrophobicContact CD2-CG 4.39Å; F27-R34 HydrophobicContact CE1-CB 3.7Å; F27-R34 HydrophobicContact CE2-CB 3.65Å; F27-R34 HydrophobicContact CE2-CG 3.86Å; F27-R34 HydrophobicContact CG-CB 4.22Å; F27-R34 HydrophobicContact CZ-CB 3.48Å; F27-R34 VanDerWaalsContact CZ-CB 3.48Å; F27-R34 HydrophobicContact CZ-CG 4.05Å; F27-R34 PolarHBondContact N-O 2.88Å; F27-R34 PolarHBondContact O-N 2.82Å; Q29-R34 HydrophobicContact CB-CG 4.16Å; R32-R34 PolarHBondContact O-N 2.89Å
35T97.8Very high96.8Very high69 Ų6989.9 Ų89.942%0.42345%0.449SS..EExtended strand (participates in β ladder)trans-129.6135.8171.2-62.70000107R24 M25 N26R24-T35 VanDerWaalsContact CD-CG2 3.45Å; R24-T35 HydrophobicContact CG-CG2 3.67Å; M25-T35 CarbonylContact O-C 3.57Å; M25-T35 VanDerWaalsContact O-CA 3.3Å; M25-T35 WeakPolarHBondContact O-CA 3.46Å; N26-T35 PolarHBondContact OD1-OG1 3.37Å
36W97.9Very high96.8Very high143 Ų14386.4 Ų86.454%0.54243%0.432SS..EExtended strand (participates in β ladder)trans-142.2139.1177.3-154.9-85.5000110R24 M25 F27 G148R24-W36 CarbonylContact C-O 3.6Å; R24-W36 WeakPolarHBondContact CA-O 3.29Å; M25-W36 HydrophobicContact CE-CB 4.25Å; M25-W36 PolarHBondContact N-O 2.89Å; M25-W36 PolarHBondContact O-N 2.83Å; F27-W36 HydrophobicContact CE1-CB 4.16Å; W36-G148 PolarHBondContact NE1-O 3.3Å; W36-G148 VanDerWaalsContact NE1-O 3.08Å
37D97Very high96.8Very high78 Ų7881.1 Ų81.142%0.41740%0.404SS..EExtended strand (participates in β ladder)trans-106.7142179.4-64.5-30.3000109.6Y23 R24Y23-D37 WeakPolarHBondContact O-CA 3.11Å; R24-D37 VanDerWaalsContact CB-OD1 3.32Å; R24-D37 WeakPolarHBondContact CB-OD1 3.5Å; R24-D37 WeakPolarHBondContact CG-OD1 3.21Å; R24-D37 IonicContact CZ-OD1 3.44Å; R24-D37 IonicContact CZ-OD2 3.67Å; R24-D37 IonicContact NE-OD1 2.7Å; R24-D37 PolarHBondContact NE-OD1 3.34Å; R24-D37 IonicContact NE-OD2 3.69Å; R24-D37 IonicContact NH2-OD1 3.31Å; R24-D37 PolarHBondContact NH2-OD1 3.14Å; R24-D37 IonicContact NH2-OD2 2.78Å; R24-D37 PolarHBondContact NH2-OD2 3.35Å
38G96.1Very high96.9Very high5 Ų577.2 Ų77.25%0.05239%0.387CS..EExtended strand (participates in β ladder)trans-146.4175.5179.700000112.3P22 Y23 L149P22-G38 CarbonylContact C-O 3.59Å; P22-G38 VanDerWaalsContact CA-O 3.27Å; P22-G38 WeakPolarHBondContact CA-O 3.44Å; Y23-G38 PolarHBondContact N-O 3.46Å; Y23-G38 PolarHBondContact O-N 3.2Å; G38-L149 CarbonylContact C-O 3.56Å; G38-L149 WeakPolarHBondContact CA-O 3.43Å
39I94.7Very high96.9Very high39 Ų3971.3 Ų71.320%0.236%0.357CS..EExtended strand (participates in β ladder)trans-124.2137.4173.366.2-177000109.3I20 Y23 A41 L149 A150I20-I39 HydrophobicContact CG2-CB 3.95Å; I20-I39 HydrophobicContact CG2-CG2 3.78Å; Y23-I39 VanDerWaalsContact CE1-C 3.48Å; I39-A41 PolarHBondContact O-N 2.95Å; I39-L149 HydrophobicContact CD1-CD1 4.44Å; I39-L149 HydrophobicContact CD1-CD2 3.94Å; I39-L149 HydrophobicContact CD1-CG 3.87Å; I39-L149 HydrophobicContact CG1-CD1 4.35Å; I39-L149 HydrophobicContact CG1-CG 3.97Å; I39-L149 HydrophobicContact CG2-CD1 4.08Å; I39-L149 PolarHBondContact N-O 3.26Å; I39-A150 HydrophobicContact CD1-CB 4.33Å; I39-A150 HydrophobicContact CG1-CB 3.85Å
40L92.6Very high97Very high99 Ų9967.1 Ų67.152%0.51834%0.337SS..EExtended strand (participates in β ladder)trans-71.6128.1166.5-62.6175.7000108.3K21 Y23K21-L40 HydrophobicContact CB-CB 4.13Å; K21-L40 HydrophobicContact CB-CD1 3.94Å; K21-L40 HydrophobicContact CB-CG 4.26Å; K21-L40 HydrophobicContact CD-CD1 4.06Å; K21-L40 PolarHBondContact O-N 2.89Å; Y23-L40 HydrophobicContact CD1-CD2 4Å; Y23-L40 HydrophobicContact CD1-CG 3.9Å; Y23-L40 HydrophobicContact CE1-CD2 3.8Å; Y23-L40 HydrophobicContact CE1-CG 4.1Å
41A91.7Very high97Very high50 Ų5060 Ų6041%0.41330%0.299SS..  trans-143166.717300000108.7I39 A150 T152I39-A41 PolarHBondContact O-N 2.95Å; A41-A150 HydrophobicContact CB-CB 4.05Å; A41-T152 HydrophobicContact CB-CG2 3.77Å; A41-T152 WeakPolarHBondContact O-CG2 3.33Å
42H93.1Very high96.8Very high102 Ų10258.3 Ų58.347%0.47228%0.275SS..  trans-88.9149.8-179.9-67.9-89.6000111.1I108 I109 T152H42-I108 HydrophobicContact CB-CB 4.08Å; H42-I109 PolarHBondContact ND1-O 3.42Å; H42-I109 VanDerWaalsContact ND1-O 3.16Å; H42-T152 WeakPolarHBondContact O-CG2 3.44Å
43D96.5Very high96.7Very high73 Ų7354.9 Ų54.939%0.3927%0.267SS..  trans-62.4160.8161.4-62.8-26.3000109.5I109 E153D43-I109 PolarHBondContact O-N 3Å; D43-E153 CarbonylContact C-O 3.57Å; D43-E153 VanDerWaalsContact CA-O 3.24Å; D43-E153 WeakPolarHBondContact CA-O 3.4Å; D43-E153 WeakPolarHBondContact CB-O 3.15Å; D43-E153 PolarHBondContact OD1-N 3.22Å
44S97.4Very high96.6Very high23 Ų2348.4 Ų48.416%0.16124%0.244CC..EExtended strand (participates in β ladder)trans-143.4167.3-17569.70000113.6G107 E153 V154 T155S44-G107 CarbonylContact C-O 3.58Å; S44-G107 VanDerWaalsContact CA-O 3.31Å; S44-G107 WeakPolarHBondContact CA-O 3.31Å; S44-G107 VanDerWaalsContact CB-O 3.23Å; S44-G107 WeakPolarHBondContact CB-O 3.29Å; S44-E153 PolarHBondContact N-O 3.5Å; S44-V154 CarbonylContact O-C 3.49Å; S44-V154 WeakPolarHBondContact O-CA 3.4Å; S44-T155 PolarHBondContact O-N 2.89Å
45V98.4Very high96.5Very high0 Ų049.7 Ų49.70%025%0.253CS..EExtended strand (participates in β ladder)trans-112.4152.2169.8-65.30000110.6I47 A106 G107 I109 P116 A120 E123 T155 Y157V45-I47 HydrophobicContact CB-CD1 4.48Å; V45-I47 HydrophobicContact CG2-CD1 4.18Å; V45-A106 VanDerWaalsContact O-CA 3.22Å; V45-A106 WeakPolarHBondContact O-CA 3.34Å; V45-A106 VanDerWaalsContact O-CB 3.22Å; V45-A106 WeakPolarHBondContact O-CB 3.46Å; V45-G107 PolarHBondContact N-O 3.21Å; V45-G107 PolarHBondContact O-N 3.48Å; V45-I109 HydrophobicContact CG1-CD1 4.11Å; V45-I109 HydrophobicContact CG1-CG1 4.37Å; V45-P116 HydrophobicContact CG1-CB 3.54Å; V45-P116 WeakPolarHBondContact CG1-O 3.08Å; V45-A120 HydrophobicContact CB-CB 4.47Å; V45-A120 HydrophobicContact CG2-CB 4.48Å; V45-E123 HydrophobicContact CG2-CG 4.19Å; V45-T155 CarbonylContact C-O 3.48Å; V45-T155 VanDerWaalsContact CA-O 3.3Å; V45-T155 WeakPolarHBondContact CA-O 3.28Å; V45-Y157 HydrophobicContact CG1-CE2 4.47Å
46S98.5Very high96.5Very high6 Ų646.6 Ų46.64%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-138.4146.9166.5-62.70000109.2C105 T155 L156 Y157S46-C105 CarbonylContact C-O 3.59Å; S46-C105 VanDerWaalsContact CA-O 3.31Å; S46-C105 WeakPolarHBondContact CA-O 3.31Å; S46-T155 PolarHBondContact N-O 2.69Å; S46-L156 CarbonylContact O-C 3.59Å; S46-L156 WeakPolarHBondContact O-CA 3.37Å; S46-Y157 PolarHBondContact O-N 3.3Å
47I98.8Very high96.5Very high0 Ų039.8 Ų39.80%021%0.208CC..EExtended strand (participates in β ladder)trans-132.5118.4-174-5187.6000108.9V45 L49 C105 A120 E123 V124 L137 Y157V45-I47 HydrophobicContact CB-CD1 4.48Å; V45-I47 HydrophobicContact CG2-CD1 4.18Å; I47-L49 HydrophobicContact CG2-CD2 3.56Å; I47-L49 HydrophobicContact CG2-CG 3.98Å; I47-C105 HydrophobicContact CB-CB 4.48Å; I47-C105 PolarHBondContact N-O 3.2Å; I47-A120 HydrophobicContact CD1-CB 3.89Å; I47-A120 HydrophobicContact CG1-CB 3.75Å; I47-E123 HydrophobicContact CD1-CB 4.36Å; I47-V124 HydrophobicContact CB-CG2 4.04Å; I47-V124 HydrophobicContact CD1-CG2 4.28Å; I47-V124 HydrophobicContact CG1-CG2 4.03Å; I47-V124 HydrophobicContact CG2-CG2 3.92Å; I47-L137 HydrophobicContact CG2-CD2 4.1Å; I47-Y157 CarbonylContact C-O 3.46Å; I47-Y157 WeakPolarHBondContact CA-O 3.27Å
48L98.8Very high96.6Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-82.4116.2165-179.569.3000109L57 L104 I140 Y157 Y158 A159 A214 I215 W217 F218L48-L57 HydrophobicContact CD1-CD1 4.38Å; L48-L57 HydrophobicContact CD1-CD2 4.09Å; L48-L104 HydrophobicContact CB-CD2 4.27Å; L48-L104 HydrophobicContact CD1-CD2 3.73Å; L48-I140 HydrophobicContact CB-CD1 4.42Å; L48-Y157 PolarHBondContact N-O 3Å; L48-Y158 HydrophobicContact CB-CD2 4.35Å; L48-Y158 HydrophobicContact CD2-CD2 3.94Å; L48-Y158 HydrophobicContact CD2-CE2 4.5Å; L48-Y158 HydrophobicContact CG-CD2 4.13Å; L48-Y158 WeakPolarHBondContact O-CA 3.44Å; L48-Y158 WeakPolarHBondContact O-CD2 3.39Å; L48-A159 PolarHBondContact O-N 2.72Å; L48-A214 HydrophobicContact CB-CB 4.17Å; L48-A214 HydrophobicContact CD1-CB 4.31Å; L48-A214 HydrophobicContact CD2-CB 4.23Å; L48-A214 HydrophobicContact CG-CB 4.47Å; L48-I215 HydrophobicContact CD1-CD1 4.31Å; L48-W217 HydrophobicContact CD2-CE3 4.27Å; L48-W217 HydrophobicContact CD2-CZ3 4.47Å; L48-F218 HydrophobicContact CD2-CB 3.71Å; L48-F218 HydrophobicContact CD2-CD2 3.87Å; L48-F218 HydrophobicContact CD2-CG 4.16Å
49L98.8Very high96.7Very high0 Ų035.9 Ų35.90%019%0.186CC..EExtended strand (participates in β ladder)trans-106129.6179.8-64.7174.7000110.5I47 L57 L58 C105 V124 C128 A159 V161I47-L49 HydrophobicContact CG2-CD2 3.56Å; I47-L49 HydrophobicContact CG2-CG 3.98Å; L49-L57 CarbonylContact O-C 3.46Å; L49-L57 VanDerWaalsContact O-CA 3.29Å; L49-L57 WeakPolarHBondContact O-CA 3.48Å; L49-L58 HydrophobicContact CB-CB 3.87Å; L49-L58 HydrophobicContact CB-CG 4.32Å; L49-L58 HydrophobicContact CD1-CB 4.24Å; L49-L58 HydrophobicContact CD1-CD1 4.43Å; L49-L58 PolarHBondContact O-N 2.91Å; L49-C105 HydrophobicContact CD1-CB 4.28Å; L49-V124 HydrophobicContact CD1-CG1 3.94Å; L49-V124 HydrophobicContact CD1-CG2 4.14Å; L49-V124 HydrophobicContact CD2-CG1 4Å; L49-V124 HydrophobicContact CD2-CG2 3.91Å; L49-V124 HydrophobicContact CG-CG2 4.43Å; L49-C128 HydrophobicContact CD1-CB 3.91Å; L49-A159 WeakPolarHBondContact CA-O 3.44Å; L49-A159 HydrophobicContact CD2-CB 4.03Å; L49-V161 HydrophobicContact CD2-CG1 3.91Å
50Y98.7Very high96.8Very high9 Ų934 Ų344%0.03518%0.176CC..EExtended strand (participates in β ladder)trans-116.3127172.3175.3-122.8000110.7S56 L57 Y158 A159 E160 V161 V188 F218 L226Y50-S56 VanDerWaalsContact CD2-O 3.3Å; Y50-S56 WeakPolarHBondContact CD2-O 3.45Å; Y50-L57 HydrophobicContact CD2-CD2 4.05Å; Y50-Y158 WeakPolarHBondContact CD1-OH 3.31Å; Y50-A159 PolarHBondContact N-O 3.11Å; Y50-E160 HydrophobicContact CD1-CG 4.16Å; Y50-E160 CarbonylContact O-C 3.51Å; Y50-E160 VanDerWaalsContact O-CA 3.27Å; Y50-E160 WeakPolarHBondContact O-CA 3.32Å; Y50-V161 PolarHBondContact O-N 2.99Å; Y50-V188 HydrophobicContact CD2-CG2 4.27Å; Y50-V188 HydrophobicContact CE2-CG2 3.79Å; Y50-F218 HydrophobicContact CD1-CE2 4.41Å; Y50-F218 HydrophobicContact CD2-CE2 4.1Å; Y50-F218 AromaticContact CD2-CZ 3.9Å; Y50-F218 HydrophobicContact CD2-CZ 3.9Å; Y50-F218 HydrophobicContact CE2-CZ 4.21Å; Y50-F218 AromaticContact CG-CE2 3.9Å; Y50-F218 HydrophobicContact CG-CE2 3.9Å; Y50-F218 HydrophobicContact CG-CZ 4.13Å; Y50-L226 HydrophobicContact CE1-CD1 4.08Å; Y50-L226 HydrophobicContact CE1-CD2 3.91Å; Y50-L226 HydrophobicContact CE2-CD1 4.29Å; Y50-L226 WeakPolarHBondContact OH-CD1 3.27Å
51H98.2Very high97Very high0 Ų030.8 Ų30.80%016%0.158CC..EExtended strand (participates in β ladder)trans-99.8104.7173.4-165.4-24000109.3E53 K54 K55 S56 L58 Y130 V161 E163H51-E53 IonicContact CE1-OE1 3.36Å; H51-E53 IonicContact CE1-OE2 3.2Å; H51-E53 PolarHBondContact CE1-OE2 3.15Å; H51-E53 IonicContact ND1-OE2 3.24Å; H51-E53 PolarHBondContact ND1-OE2 2.9Å; H51-K54 HydrophobicContact CB-CB 4.33Å; H51-K54 WeakPolarHBondContact NE2-CE 3.29Å; H51-K54 PolarHBondContact NE2-NZ 3.01Å; H51-K54 PolarHBondContact O-N 3.11Å; H51-K55 WeakPolarHBondContact O-CA 3.47Å; H51-K55 PolarHBondContact O-N 3.36Å; H51-S56 PolarHBondContact N-O 3.29Å; H51-S56 PolarHBondContact O-N 3.35Å; H51-L58 HydrophobicContact CB-CD2 4.42Å; H51-Y130 PolarHBondContact CD2-OH 3.28Å; H51-V161 WeakPolarHBondContact CA-O 3.45Å; H51-V161 HydrophobicContact CB-CG2 3.89Å; H51-V161 PolarHBondContact ND1-O 3.17Å; H51-E163 IonicContact NE2-OE2 3.51Å; H51-E163 PolarHBondContact NE2-OE2 3.17Å
52S93.2Very high97.1Very high37 Ų3729 Ų2926%0.25914%0.141SC..THydrogen-bonded Turntrans-69.3-38.7-170.954.10000113K54 K55 H162S52-K54 VanDerWaalsContact C-N 3.32Å; S52-K54 PolarHBondContact O-N 3.43Å; S52-K55 PolarHBondContact O-N 2.88Å; S52-H162 PolarHBondContact OG-CE1 3.46Å; S52-H162 PolarHBondContact OG-ND1 3.14Å
53E95.7Very high97.2Very high100 Ų10027.1 Ų27.147%0.46713%0.132SC..THydrogen-bonded Turntrans-64.3-36.3177.4-55.897.6124.100112.5H51 H162 E163H51-E53 IonicContact CE1-OE1 3.36Å; H51-E53 IonicContact CE1-OE2 3.2Å; H51-E53 PolarHBondContact CE1-OE2 3.15Å; H51-E53 IonicContact ND1-OE2 3.24Å; H51-E53 PolarHBondContact ND1-OE2 2.9Å; E53-H162 VanDerWaalsContact OE1-CA 3.3Å; E53-H162 WeakPolarHBondContact OE1-CA 3.37Å; E53-H162 WeakPolarHBondContact OE1-CB 3.33Å; E53-H162 IonicContact OE1-CG 3.81Å; E53-H162 IonicContact OE1-ND1 2.69Å; E53-H162 IonicContact OE2-ND1 3.86Å; E53-H162 PolarHBondContact OE2-ND1 2.94Å; E53-E163 PolarHBondContact OE1-N 2.82Å
54K96.3Very high97.1Very high73 Ų7327.8 Ų27.832%0.31713%0.129SC..THydrogen-bonded Turntrans-91.9-8.1180-64.6-174.4-175.9147.70113.7H51 S52 S56 E163 E185H51-K54 HydrophobicContact CB-CB 4.33Å; H51-K54 WeakPolarHBondContact NE2-CE 3.29Å; H51-K54 PolarHBondContact NE2-NZ 3.01Å; H51-K54 PolarHBondContact O-N 3.11Å; S52-K54 VanDerWaalsContact C-N 3.32Å; S52-K54 PolarHBondContact O-N 3.43Å; K54-S56 WeakPolarHBondContact CB-OG 3.35Å; K54-S56 PolarHBondContact O-N 3.41Å; K54-E163 WeakPolarHBondContact CE-OE2 3.47Å; K54-E163 IonicContact NZ-OE2 2.72Å; K54-E163 PolarHBondContact NZ-OE2 3.15Å; K54-E185 WeakPolarHBondContact CD-OE1 3.49Å; K54-E185 WeakPolarHBondContact CD-OE2 3.37Å; K54-E185 IonicContact NZ-OE1 3.38Å; K54-E185 PolarHBondContact NZ-OE1 3.04Å
55K96.5Very high96.9Very high138 Ų13830.7 Ų30.760%0.615%0.147SC*.THydrogen-bonded Turntrans49.943.6-174.3-56.9-176.6179.5-174.90112H51 S52 V188H51-K55 WeakPolarHBondContact O-CA 3.47Å; H51-K55 PolarHBondContact O-N 3.36Å; S52-K55 PolarHBondContact O-N 2.88Å; K55-V188 WeakPolarHBondContact O-CG2 3.48Å; K55-V188 PolarHBondContact O-N 3.31Å
56S98Very high96.7Very high4 Ų436.3 Ų36.33%0.02818%0.181CC..EExtended strand (participates in β ladder)trans-132.1149.5-176.6580000111.3Y50 H51 K54 W186Y50-S56 VanDerWaalsContact CD2-O 3.3Å; Y50-S56 WeakPolarHBondContact CD2-O 3.45Å; H51-S56 PolarHBondContact N-O 3.29Å; H51-S56 PolarHBondContact O-N 3.35Å; K54-S56 WeakPolarHBondContact CB-OG 3.35Å; K54-S56 PolarHBondContact O-N 3.41Å; S56-W186 CarbonylContact C-O 3.57Å; S56-W186 WeakPolarHBondContact CA-O 3.41Å; S56-W186 WeakPolarHBondContact CB-O 3.42Å
57L98.5Very high96.5Very high0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-85.2140.5165.5-61.6174.1000108.5L48 L49 Y50 L59 W186 V188 I191 I215 F218L48-L57 HydrophobicContact CD1-CD1 4.38Å; L48-L57 HydrophobicContact CD1-CD2 4.09Å; L49-L57 CarbonylContact O-C 3.46Å; L49-L57 VanDerWaalsContact O-CA 3.29Å; L49-L57 WeakPolarHBondContact O-CA 3.48Å; Y50-L57 HydrophobicContact CD2-CD2 4.05Å; L57-L59 HydrophobicContact CB-CD2 4.36Å; L57-L59 HydrophobicContact CB-CG 4.5Å; L57-W186 HydrophobicContact CB-CB 4.49Å; L57-W186 PolarHBondContact N-O 2.93Å; L57-W186 PolarHBondContact O-N 3.26Å; L57-V188 HydrophobicContact CG-CG2 4.44Å; L57-I191 HydrophobicContact CD1-CD1 3.8Å; L57-I191 HydrophobicContact CD1-CG1 4.25Å; L57-I215 HydrophobicContact CD1-CD1 3.25Å; L57-F218 HydrophobicContact CD2-CD1 4.5Å; L57-F218 HydrophobicContact CD2-CD2 3.98Å; L57-F218 HydrophobicContact CD2-CE1 4.3Å; L57-F218 HydrophobicContact CD2-CE2 3.75Å; L57-F218 HydrophobicContact CD2-CG 4.35Å; L57-F218 HydrophobicContact CD2-CZ 3.92Å
58L98.2Very high96.4Very high0 Ų038.2 Ų38.20%019%0.192CC..EExtended strand (participates in β ladder)trans-91.6110.2169.9-53.3-171.5000108.9L49 H51 Y130 V161 V183 E185L49-L58 HydrophobicContact CB-CB 3.87Å; L49-L58 HydrophobicContact CB-CG 4.32Å; L49-L58 HydrophobicContact CD1-CB 4.24Å; L49-L58 HydrophobicContact CD1-CD1 4.43Å; L49-L58 PolarHBondContact O-N 2.91Å; H51-L58 HydrophobicContact CB-CD2 4.42Å; L58-Y130 HydrophobicContact CD1-CD2 3.7Å; L58-Y130 HydrophobicContact CD1-CE2 3.23Å; L58-V161 HydrophobicContact CD1-CG2 3.66Å; L58-V161 HydrophobicContact CG-CG2 4.22Å; L58-V183 HydrophobicContact CB-CG1 4.48Å; L58-E185 HydrophobicContact CD2-CB 4.38Å; L58-E185 HydrophobicContact CD2-CG 3.68Å
59L98.2Very high96.1Very high0 Ų039.7 Ų39.70%020%0.198CC..EExtended strand (participates in β ladder)trans-106.5164.6173.7-54.6-176.6000108.8L57 L102 L104 I184 W186 L194 L211L57-L59 HydrophobicContact CB-CD2 4.36Å; L57-L59 HydrophobicContact CB-CG 4.5Å; L59-L102 HydrophobicContact CB-CD1 3.81Å; L59-L102 HydrophobicContact CB-CG 4.26Å; L59-L102 HydrophobicContact CD1-CD1 4.18Å; L59-L102 HydrophobicContact CD1-CD2 3.76Å; L59-L102 HydrophobicContact CD1-CG 3.93Å; L59-L104 HydrophobicContact CD2-CD2 4.21Å; L59-I184 HydrophobicContact CB-CB 4.43Å; L59-I184 PolarHBondContact N-O 3.02Å; L59-I184 PolarHBondContact O-N 3.39Å; L59-W186 HydrophobicContact CD1-CB 3.79Å; L59-W186 HydrophobicContact CD1-CD2 4.29Å; L59-W186 HydrophobicContact CD1-CE3 4.46Å; L59-W186 HydrophobicContact CD1-CG 4.02Å; L59-W186 HydrophobicContact CG-CB 4.13Å; L59-L194 HydrophobicContact CD1-CD1 4.07Å; L59-L194 HydrophobicContact CD1-CD2 3.84Å; L59-L211 HydrophobicContact CD1-CD1 4.28Å; L59-L211 HydrophobicContact CD1-CD2 4.45Å; L59-L211 HydrophobicContact CD2-CD1 3.54Å
60V97.3Very high95.9Very high0 Ų041.3 Ų41.30%021%0.209CC..EExtended strand (participates in β ladder)trans-119141.6175-620000110.1E103 L104 E127 I181 E182V60-E103 HydrophobicContact CG2-CB 3.95Å; V60-E103 PolarHBondContact N-O 3.16Å; V60-E103 PolarHBondContact O-N 2.84Å; V60-L104 VanDerWaalsContact CG2-O 3.28Å; V60-L104 WeakPolarHBondContact CG2-O 3.43Å; V60-E127 HydrophobicContact CG1-CB 4.4Å; V60-I181 HydrophobicContact CB-CG2 3.57Å; V60-I181 HydrophobicContact CG1-CG2 3.81Å; V60-I181 HydrophobicContact CG2-CG2 4.43Å; V60-E182 CarbonylContact C-O 3.49Å; V60-E182 WeakPolarHBondContact CA-O 3.21Å
61K95.8Very high95.6Very high31 Ų3142.8 Ų42.814%0.13522%0.216CC..EExtended strand (participates in β ladder)trans-116.3125.9172.6-174.8-175.673.7-154.20109.2E100 T101 L102 E182 I184 Q205K61-E100 WeakPolarHBondContact CE-OE2 3.43Å; K61-E100 HydrophobicContact CG-CB 4.25Å; K61-T101 VanDerWaalsContact CA-O 3.27Å; K61-T101 WeakPolarHBondContact CA-O 3.3Å; K61-L102 HydrophobicContact CB-CD1 4.4Å; K61-E182 HydrophobicContact CB-CB 4.36Å; K61-E182 WeakPolarHBondContact CE-OE2 3.4Å; K61-E182 PolarHBondContact N-O 3.11Å; K61-E182 IonicContact NZ-OE1 3Å; K61-E182 PolarHBondContact NZ-OE1 2.78Å; K61-E182 IonicContact NZ-OE2 3.88Å; K61-E182 PolarHBondContact NZ-OE2 3.12Å; K61-E182 PolarHBondContact O-N 2.79Å; K61-I184 HydrophobicContact CB-CD1 4.23Å; K61-I184 HydrophobicContact CB-CG1 3.86Å; K61-Q205 HydrophobicContact CD-CG 4.36Å
62Q94.5Very high95.4Very high12 Ų1242.8 Ų42.86%0.05622%0.216CC..EExtended strand (participates in β ladder)trans-148.1154.8-178.257.1176.2-67.700111.8R64 E100 T101 E103 I181Q62-R64 VanDerWaalsContact CD-NH2 3.31Å; Q62-E100 CarbonylContact O-C 3.59Å; Q62-E100 VanDerWaalsContact O-CA 3.28Å; Q62-E100 WeakPolarHBondContact O-CA 3.43Å; Q62-T101 PolarHBondContact N-O 2.77Å; Q62-T101 PolarHBondContact O-N 3.27Å; Q62-T101 PolarHBondContact O-OG1 3Å; Q62-E103 PolarHBondContact NE2-OE2 3.01Å; Q62-I181 HydrophobicContact CB-CG1 4.16Å
63F94.4Very high95.3Very high64 Ų6446.4 Ų46.428%0.28122%0.224SC..EExtended strand (participates in β ladder)trans-80.6122.4177.5177.5-111000110.6I5 P65 Y68 S96 E100I5-F63 HydrophobicContact CD1-CE1 4.23Å; I5-F63 HydrophobicContact CD1-CE2 4.49Å; I5-F63 HydrophobicContact CD1-CZ 3.95Å; I5-F63 HydrophobicContact CG1-CZ 4.42Å; F63-P65 HydrophobicContact CD1-CG 4.05Å; F63-P65 HydrophobicContact CE1-CB 4.12Å; F63-P65 HydrophobicContact CE1-CG 3.77Å; F63-P65 WeakPolarHBondContact O-CD 3.34Å; F63-Y68 HydrophobicContact CE2-CD1 4.46Å; F63-Y68 AromaticContact CE2-CD2 3.59Å; F63-Y68 HydrophobicContact CE2-CD2 3.59Å; F63-Y68 HydrophobicContact CE2-CE2 4.47Å; F63-Y68 AromaticContact CE2-CG 3.61Å; F63-Y68 HydrophobicContact CE2-CG 3.61Å; F63-Y68 HydrophobicContact CZ-CD1 4.07Å; F63-Y68 HydrophobicContact CZ-CD2 4.02Å; F63-Y68 AromaticContact CZ-CG 3.63Å; F63-Y68 HydrophobicContact CZ-CG 3.63Å; F63-S96 WeakPolarHBondContact CD2-O 3.49Å; F63-S96 WeakPolarHBondContact CE2-O 3.3Å; F63-E100 HydrophobicContact CB-CG 4.25Å; F63-E100 HydrophobicContact CD2-CG 4.47Å
64R94.7Very high95.1Very high87 Ų8749.8 Ų49.833%0.32824%0.237SC..  trans-107.7105.1173.9-62.3-63.8-166.5-175.42.3109.2Q62 V66 V67 Y68 G99 T101 E103Q62-R64 VanDerWaalsContact CD-NH2 3.31Å; R64-V66 PolarHBondContact O-N 3.27Å; R64-V66 VanDerWaalsContact O-N 3.08Å; R64-V67 HydrophobicContact CB-CB 4.04Å; R64-V67 HydrophobicContact CB-CG2 3.7Å; R64-V67 WeakPolarHBondContact O-CA 3.4Å; R64-V67 WeakPolarHBondContact O-CB 3.48Å; R64-V67 PolarHBondContact O-N 2.95Å; R64-Y68 PolarHBondContact O-N 3.38Å; R64-Y68 VanDerWaalsContact O-N 3.07Å; R64-G99 PolarHBondContact N-O 2.79Å; R64-T101 HydrophobicContact CB-CG2 4.49Å; R64-T101 HydrophobicContact CG-CG2 4.2Å; R64-T101 VanDerWaalsContact CG-OG1 3.32Å; R64-T101 WeakPolarHBondContact CG-OG1 3.47Å; R64-E103 WeakPolarHBondContact CG-OE1 3.32Å; R64-E103 IonicContact CZ-OE1 2.65Å; R64-E103 IonicContact CZ-OE2 3.82Å; R64-E103 IonicContact NE-OE1 2.89Å; R64-E103 PolarHBondContact NE-OE1 2.86Å; R64-E103 IonicContact NE-OE2 2.81Å; R64-E103 PolarHBondContact NE-OE2 2.9Å; R64-E103 IonicContact NH2-OE1 3.2Å; R64-E103 IonicContact NH2-OE2 3.86Å; R64-E103 PolarHBondContact NH2-OE2 3.16Å
65P93.6Very high94.8Very high83 Ų8351.5 Ų51.554%0.53925%0.249SC..Hα-helixtrans-54.8-33.5-174.9-27.433.1000114.7F63 Y68 Y69F63-P65 HydrophobicContact CD1-CG 4.05Å; F63-P65 HydrophobicContact CE1-CB 4.12Å; F63-P65 HydrophobicContact CE1-CG 3.77Å; F63-P65 WeakPolarHBondContact O-CD 3.34Å; P65-Y68 WeakPolarHBondContact O-CB 3.43Å; P65-Y68 PolarHBondContact O-N 3.29Å; P65-Y69 PolarHBondContact O-N 2.85Å
66V94.2Very high94.5Very high118 Ų11848 Ų4872%0.71525%0.253SS*.Hα-helixtrans-71.1-33.9178.5-176.70000111.7R64 S70R64-V66 PolarHBondContact O-N 3.27Å; R64-V66 VanDerWaalsContact O-N 3.08Å; V66-S70 WeakPolarHBondContact O-CB 3.43Å; V66-S70 PolarHBondContact O-N 2.91Å
67V95.1Very high94Very high43 Ų4350.7 Ų50.726%0.26127%0.266SS..Hα-helixtrans-67.8-45.1173.1178.80000109.7R64 Y69 S70 K71 T101 P206R64-V67 HydrophobicContact CB-CB 4.04Å; R64-V67 HydrophobicContact CB-CG2 3.7Å; R64-V67 WeakPolarHBondContact O-CA 3.4Å; R64-V67 WeakPolarHBondContact O-CB 3.48Å; R64-V67 PolarHBondContact O-N 2.95Å; V67-Y69 PolarHBondContact O-N 3.49Å; V67-S70 WeakPolarHBondContact O-CB 3.47Å; V67-S70 PolarHBondContact O-N 2.88Å; V67-K71 HydrophobicContact CG1-CG 4.41Å; V67-K71 VanDerWaalsContact O-CG 3.26Å; V67-K71 WeakPolarHBondContact O-CG 3.05Å; V67-K71 PolarHBondContact O-N 2.93Å; V67-T101 HydrophobicContact CB-CG2 4.38Å; V67-T101 HydrophobicContact CG1-CG2 4.12Å; V67-T101 HydrophobicContact CG2-CG2 3.98Å; V67-P206 HydrophobicContact CG1-CG 4.49Å
68Y94.9Very high93.3Very high3 Ų351.2 Ų51.21%0.01227%0.268CS..Hα-helixtrans-53.9-52.8173.5-174.1-104.5000111.6I5 L8 F63 R64 P65 S70 K71 L72 P94 S95 I98I5-Y68 HydrophobicContact CB-CE1 4.34Å; I5-Y68 HydrophobicContact CG1-CE1 4.22Å; I5-Y68 HydrophobicContact CG1-CE2 4.24Å; I5-Y68 HydrophobicContact CG2-CE1 3.99Å; L8-Y68 HydrophobicContact CD2-CE1 4.15Å; F63-Y68 HydrophobicContact CE2-CD1 4.46Å; F63-Y68 AromaticContact CE2-CD2 3.59Å; F63-Y68 HydrophobicContact CE2-CD2 3.59Å; F63-Y68 HydrophobicContact CE2-CE2 4.47Å; F63-Y68 AromaticContact CE2-CG 3.61Å; F63-Y68 HydrophobicContact CE2-CG 3.61Å; F63-Y68 HydrophobicContact CZ-CD1 4.07Å; F63-Y68 HydrophobicContact CZ-CD2 4.02Å; F63-Y68 AromaticContact CZ-CG 3.63Å; F63-Y68 HydrophobicContact CZ-CG 3.63Å; R64-Y68 PolarHBondContact O-N 3.38Å; R64-Y68 VanDerWaalsContact O-N 3.07Å; P65-Y68 WeakPolarHBondContact O-CB 3.43Å; P65-Y68 PolarHBondContact O-N 3.29Å; Y68-S70 VanDerWaalsContact C-N 3.34Å; Y68-S70 PolarHBondContact O-N 3.43Å; Y68-K71 WeakPolarHBondContact O-CB 3.19Å; Y68-K71 PolarHBondContact O-N 3.14Å; Y68-K71 VanDerWaalsContact O-N 3.08Å; Y68-L72 HydrophobicContact CD1-CD1 3.86Å; Y68-L72 HydrophobicContact CD1-CG 4.27Å; Y68-L72 HydrophobicContact CE1-CD1 3.41Å; Y68-L72 VanDerWaalsContact CE1-CD1 3.41Å; Y68-L72 HydrophobicContact CE1-CD2 4.36Å; Y68-L72 HydrophobicContact CE1-CG 3.98Å; Y68-L72 WeakPolarHBondContact O-CG 3.46Å; Y68-L72 PolarHBondContact O-N 3.19Å; Y68-P94 HydrophobicContact CE2-CG 4.26Å; Y68-P94 PolarHBondContact OH-O 2.92Å; Y68-S95 WeakPolarHBondContact CE2-O 3.34Å; Y68-I98 HydrophobicContact CD2-CD1 3.92Å; Y68-I98 HydrophobicContact CD2-CG1 3.4Å; Y68-I98 HydrophobicContact CE2-CD1 3.7Å; Y68-I98 HydrophobicContact CE2-CG1 3.41Å; Y68-I98 VanDerWaalsContact CE2-CG1 3.41Å
69Y93.8Very high92.6Very high32 Ų3259.2 Ų59.213%0.12530%0.298CS..Hα-helixtrans-60.4-41.7177177.4-124000112.5V10 P65 V67 K71 L72 R73 I78 R79 S80 V81V10-Y69 HydrophobicContact CB-CE2 4.21Å; V10-Y69 HydrophobicContact CG1-CD2 4.48Å; V10-Y69 HydrophobicContact CG1-CE1 4.09Å; V10-Y69 HydrophobicContact CG1-CE2 3.97Å; V10-Y69 HydrophobicContact CG2-CD2 3.87Å; V10-Y69 HydrophobicContact CG2-CE2 3.83Å; P65-Y69 PolarHBondContact O-N 2.85Å; V67-Y69 PolarHBondContact O-N 3.49Å; Y69-K71 VanDerWaalsContact C-N 3.27Å; Y69-K71 PolarHBondContact O-N 3.13Å; Y69-L72 PolarHBondContact O-N 3.41Å; Y69-R73 HydrophobicContact CD2-CG 4.35Å; Y69-R73 HydrophobicContact CE2-CG 3.88Å; Y69-R73 WeakPolarHBondContact O-CG 3.36Å; Y69-R73 PolarHBondContact O-N 2.91Å; Y69-R73 VanDerWaalsContact O-N 3.09Å; Y69-I78 HydrophobicContact CD2-CD1 4.25Å; Y69-I78 HydrophobicContact CD2-CG2 3.99Å; Y69-I78 HydrophobicContact CE2-CD1 3.93Å; Y69-I78 HydrophobicContact CE2-CG1 4.25Å; Y69-I78 HydrophobicContact CE2-CG2 3.77Å; Y69-R79 PolarHBondContact OH-O 3.28Å; Y69-S80 WeakPolarHBondContact OH-CA 3.26Å; Y69-V81 PolarHBondContact OH-N 3.06Å
70S94.2Very high91.7Very high34 Ų3460.1 Ų60.124%0.23831%0.305CS..Hα-helixtrans-60.2-38174.8-1770000112.3V66 V67 Y68 K74V66-S70 WeakPolarHBondContact O-CB 3.43Å; V66-S70 PolarHBondContact O-N 2.91Å; V67-S70 WeakPolarHBondContact O-CB 3.47Å; V67-S70 PolarHBondContact O-N 2.88Å; Y68-S70 VanDerWaalsContact C-N 3.34Å; Y68-S70 PolarHBondContact O-N 3.43Å; S70-K74 WeakPolarHBondContact O-CG 3.43Å; S70-K74 PolarHBondContact O-N 2.86Å
71K92.8Very high90.8Very high39 Ų3962.3 Ų62.317%0.1732%0.318CS..Hα-helixtrans-71.6-45.1179.6-72-86.5-156.5163.10111.4V67 Y68 Y69 R73 K74 L75 I98 Y197V67-K71 HydrophobicContact CG1-CG 4.41Å; V67-K71 VanDerWaalsContact O-CG 3.26Å; V67-K71 WeakPolarHBondContact O-CG 3.05Å; V67-K71 PolarHBondContact O-N 2.93Å; Y68-K71 WeakPolarHBondContact O-CB 3.19Å; Y68-K71 PolarHBondContact O-N 3.14Å; Y68-K71 VanDerWaalsContact O-N 3.08Å; Y69-K71 VanDerWaalsContact C-N 3.27Å; Y69-K71 PolarHBondContact O-N 3.13Å; K71-R73 VanDerWaalsContact C-N 3.26Å; K71-R73 PolarHBondContact O-N 3.25Å; K71-K74 PolarHBondContact O-N 3.36Å; K71-K74 VanDerWaalsContact O-N 3.11Å; K71-L75 WeakPolarHBondContact O-CG 3.33Å; K71-L75 PolarHBondContact O-N 3.47Å; K71-I98 HydrophobicContact CB-CD1 4.01Å; K71-I98 HydrophobicContact CB-CG1 4.45Å; K71-I98 WeakPolarHBondContact CG-O 3.36Å; K71-Y197 WeakPolarHBondContact CE-OH 3.18Å; K71-Y197 PolarHBondContact NZ-OH 2.85Å
72L92.7Very high89.8Confident0 Ų066.4 Ų66.40%035%0.346CS..Hα-helixtrans-54.9-42.5174.1-67.9-178.3000112.1L8 Y68 Y69 L75 G76 I77 I78 L93 P94 I98L8-L72 HydrophobicContact CD2-CD1 3.49Å; L8-L72 VanDerWaalsContact CD2-CD1 3.49Å; Y68-L72 HydrophobicContact CD1-CD1 3.86Å; Y68-L72 HydrophobicContact CD1-CG 4.27Å; Y68-L72 HydrophobicContact CE1-CD1 3.41Å; Y68-L72 VanDerWaalsContact CE1-CD1 3.41Å; Y68-L72 HydrophobicContact CE1-CD2 4.36Å; Y68-L72 HydrophobicContact CE1-CG 3.98Å; Y68-L72 WeakPolarHBondContact O-CG 3.46Å; Y68-L72 PolarHBondContact O-N 3.19Å; Y69-L72 PolarHBondContact O-N 3.41Å; L72-L75 PolarHBondContact O-N 3.36Å; L72-G76 PolarHBondContact O-N 3.28Å; L72-G76 VanDerWaalsContact O-N 3.16Å; L72-I77 HydrophobicContact CD2-CB 4.23Å; L72-I77 HydrophobicContact CD2-CD1 3.81Å; L72-I77 HydrophobicContact CD2-CG2 4.15Å; L72-I77 PolarHBondContact O-N 3.13Å; L72-I77 VanDerWaalsContact O-N 3.07Å; L72-I78 HydrophobicContact CB-CB 4.26Å; L72-I78 HydrophobicContact CB-CG2 3.37Å; L72-I78 HydrophobicContact CD1-CG2 4.32Å; L72-L93 HydrophobicContact CD1-CD2 4.01Å; L72-L93 HydrophobicContact CD2-CD2 4.41Å; L72-P94 HydrophobicContact CD2-CG 3.45Å; L72-P94 VanDerWaalsContact CD2-CG 3.45Å; L72-I98 HydrophobicContact CD2-CD1 3.87Å; L72-I98 HydrophobicContact CG-CD1 4.39Å
73R92.5Very high88.8Confident113 Ų11371.1 Ų71.143%0.42637%0.371SS..Hα-helixtrans-63.2-44.4176.6-73.8-168.2-63.3171.53.1112.3Y69 K71 L75 G76 I78Y69-R73 HydrophobicContact CD2-CG 4.35Å; Y69-R73 HydrophobicContact CE2-CG 3.88Å; Y69-R73 WeakPolarHBondContact O-CG 3.36Å; Y69-R73 PolarHBondContact O-N 2.91Å; Y69-R73 VanDerWaalsContact O-N 3.09Å; K71-R73 VanDerWaalsContact C-N 3.26Å; K71-R73 PolarHBondContact O-N 3.25Å; R73-L75 VanDerWaalsContact C-N 3.26Å; R73-L75 PolarHBondContact O-N 3.29Å; R73-G76 PolarHBondContact O-N 3.38Å; R73-I78 WeakPolarHBondContact CA-O 3.37Å; R73-I78 HydrophobicContact CB-CG2 4.45Å; R73-I78 HydrophobicContact CG-CG2 3.69Å
74K91.1Very high87.3Confident171 Ų17170.4 Ų70.474%0.74337%0.374SS*.Hα-helixtrans-65.2-30.7177.6-73.4176.9178.6-177.70112.6S70 K71 G76S70-K74 WeakPolarHBondContact O-CG 3.43Å; S70-K74 PolarHBondContact O-N 2.86Å; K71-K74 PolarHBondContact O-N 3.36Å; K71-K74 VanDerWaalsContact O-N 3.11Å; K74-G76 VanDerWaalsContact C-N 3.27Å
75L90.7Very high85.8Confident110 Ų11070.9 Ų70.958%0.57639%0.389SS*.THydrogen-bonded Turntrans-80.2-5.5174.5-67.5171.3000113.1K71 L72 R73 I77 I98K71-L75 WeakPolarHBondContact O-CG 3.33Å; K71-L75 PolarHBondContact O-N 3.47Å; L72-L75 PolarHBondContact O-N 3.36Å; R73-L75 VanDerWaalsContact C-N 3.26Å; R73-L75 PolarHBondContact O-N 3.29Å; L75-I77 HydrophobicContact CB-CD1 3.86Å; L75-I77 HydrophobicContact CB-CG1 3.93Å; L75-I77 HydrophobicContact CD1-CD1 3.94Å; L75-I77 PolarHBondContact O-N 3.46Å; L75-I98 HydrophobicContact CD1-CD1 4.23Å
76G88.9Confident84.2Confident65 Ų6567.7 Ų67.767%0.6737%0.368SS*.THydrogen-bonded Turntrans719.4-177.800000114.6L72 R73 K74 I78L72-G76 PolarHBondContact O-N 3.28Å; L72-G76 VanDerWaalsContact O-N 3.16Å; R73-G76 PolarHBondContact O-N 3.38Å; K74-G76 VanDerWaalsContact C-N 3.27Å; G76-I78 VanDerWaalsContact C-N 3.32Å
77I86.9Confident82.5Confident59 Ų5969.1 Ų69.130%0.30337%0.367SS..SBendtrans-70.1-34.7178.6-62.6169.8000110.4L72 L75 I91 L93 P94L72-I77 HydrophobicContact CD2-CB 4.23Å; L72-I77 HydrophobicContact CD2-CD1 3.81Å; L72-I77 HydrophobicContact CD2-CG2 4.15Å; L72-I77 PolarHBondContact O-N 3.13Å; L72-I77 VanDerWaalsContact O-N 3.07Å; L75-I77 HydrophobicContact CB-CD1 3.86Å; L75-I77 HydrophobicContact CB-CG1 3.93Å; L75-I77 HydrophobicContact CD1-CD1 3.94Å; L75-I77 PolarHBondContact O-N 3.46Å; I77-I91 HydrophobicContact CG2-CG2 3.69Å; I77-L93 HydrophobicContact CG2-CD2 4.49Å; I77-P94 HydrophobicContact CD1-CG 4.18Å
78I85.6Confident80.8Confident11 Ų1167.3 Ų67.36%0.05636%0.356CS..SBendtrans-134.8148.9-177.5-163.3165.7000110.9L8 V10 Y69 L72 R73 G76 V86L8-I78 HydrophobicContact CD2-CD1 4.13Å; V10-I78 HydrophobicContact CG2-CD1 4.11Å; Y69-I78 HydrophobicContact CD2-CD1 4.25Å; Y69-I78 HydrophobicContact CD2-CG2 3.99Å; Y69-I78 HydrophobicContact CE2-CD1 3.93Å; Y69-I78 HydrophobicContact CE2-CG1 4.25Å; Y69-I78 HydrophobicContact CE2-CG2 3.77Å; L72-I78 HydrophobicContact CB-CB 4.26Å; L72-I78 HydrophobicContact CB-CG2 3.37Å; L72-I78 HydrophobicContact CD1-CG2 4.32Å; R73-I78 WeakPolarHBondContact CA-O 3.37Å; R73-I78 HydrophobicContact CB-CG2 4.45Å; R73-I78 HydrophobicContact CG-CG2 3.69Å; G76-I78 VanDerWaalsContact C-N 3.32Å; I78-V86 HydrophobicContact CD1-CB 3.67Å; I78-V86 HydrophobicContact CD1-CG1 3.47Å; I78-V86 VanDerWaalsContact CD1-CG1 3.47Å; I78-V86 HydrophobicContact CD1-CG2 3.75Å; I78-V86 HydrophobicContact CG1-CB 3.79Å; I78-V86 HydrophobicContact CG1-CG1 3.68Å; I78-V86 HydrophobicContact CG1-CG2 3.28Å
79R81.7Confident79Confident168 Ų16873.1 Ų73.163%0.63439%0.387SS*.  trans-87.5170.8174.7-65.9-173.5-179.8-171.7-0.4112Y69 D83Y69-R79 PolarHBondContact OH-O 3.28Å; R79-D83 HydrophobicContact CB-CB 4.44Å
80S79.2Confident77.5Confident19 Ų1980.7 Ų80.713%0.13342%0.424CS..  trans-68.2150.2170.485.60000110.4Y69 T82 D83 S84Y69-S80 WeakPolarHBondContact OH-CA 3.26Å; S80-T82 PolarHBondContact O-N 3.09Å; S80-T82 VanDerWaalsContact O-N 3.16Å; S80-T82 PolarHBondContact OG-OG1 3.29Å; S80-D83 WeakPolarHBondContact CB-OD2 3.11Å; S80-D83 PolarHBondContact O-N 3.21Å; S80-D83 VanDerWaalsContact O-N 3.08Å; S80-D83 PolarHBondContact OG-N 2.79Å; S80-D83 PolarHBondContact OG-OD2 2.81Å; S80-S84 PolarHBondContact O-N 3.26Å
81V79.9Confident76.4Confident46 Ų4682.5 Ų82.528%0.27943%0.43SS..THydrogen-bonded Turntrans-57.6-27.617868.50000112.7V10 E12 Y69V10-V81 HydrophobicContact CG1-CB 4.2Å; V10-V81 HydrophobicContact CG1-CG2 4.27Å; E12-V81 HydrophobicContact CB-CG2 4.42Å; Y69-V81 PolarHBondContact OH-N 3.06Å
82T74.9Confident75.9Confident118 Ų11888 Ų8872%0.72446%0.461SS*.THydrogen-bonded Turntrans-81.5-25.4178.951.50000113.5S80S80-T82 PolarHBondContact O-N 3.09Å; S80-T82 VanDerWaalsContact O-N 3.16Å; S80-T82 PolarHBondContact OG-OG1 3.29Å
83D73.7Confident75.7Confident110 Ų11089 Ų8959%0.58847%0.467SS*.THydrogen-bonded Turntrans-83.1-37.7-177.4-60.6-37.3000111.9R79 S80R79-D83 HydrophobicContact CB-CB 4.44Å; S80-D83 WeakPolarHBondContact CB-OD2 3.11Å; S80-D83 PolarHBondContact O-N 3.21Å; S80-D83 VanDerWaalsContact O-N 3.08Å; S80-D83 PolarHBondContact OG-N 2.79Å; S80-D83 PolarHBondContact OG-OD2 2.81Å
84S62.1Low75.7Confident49 Ų4985.3 Ų85.334%0.34346%0.457SS..  trans-166.9129.4174-64.50000109.1S80 V86S80-S84 PolarHBondContact O-N 3.26Å; S84-V86 PolarHBondContact O-N 3.43Å
85P62.9Low75.8Confident97 Ų9779.1 Ų79.163%0.6344%0.435SS*.  trans-56.6131170.7-19.830.5000109.7L11L11-P85 HydrophobicContact CD2-CB 4.26Å
86V60.4Low75.8Confident17 Ų1774 Ų7410%0.10341%0.409CS..EExtended strand (participates in β ladder)trans-100.3113-179.5177.50000108.7V10 I78 S84 I91V10-V86 PolarHBondContact N-O 3Å; I78-V86 HydrophobicContact CD1-CB 3.67Å; I78-V86 HydrophobicContact CD1-CG1 3.47Å; I78-V86 VanDerWaalsContact CD1-CG1 3.47Å; I78-V86 HydrophobicContact CD1-CG2 3.75Å; I78-V86 HydrophobicContact CG1-CB 3.79Å; I78-V86 HydrophobicContact CG1-CG1 3.68Å; I78-V86 HydrophobicContact CG1-CG2 3.28Å; S84-V86 PolarHBondContact O-N 3.43Å; V86-I91 HydrophobicContact CG1-CD1 4.38Å
87E59.1Low76Confident147 Ų14775.1 Ų75.169%0.68740%0.397SS*.EExtended strand (participates in β ladder)trans-10287.9163.6-66.9-176.3-177.400108N9 N89N9-E87 WeakPolarHBondContact OD1-CA 3.35Å; E87-N89 VanDerWaalsContact C-N 3.34Å; E87-N89 PolarHBondContact O-N 2.92Å
88S57.7Low76.3Confident5 Ų573.7 Ų73.74%0.03539%0.389CS..  trans-84.580.5179.976.20000110.3L8L8-S88 PolarHBondContact O-N 2.91Å; L8-S88 PolarHBondContact O-OG 3.11Å
89N57.7Low76.7Confident125 Ų12573.2 Ų73.267%0.66839%0.387SS*.SBendtrans-86.7-14163.1-73.2-18.7000112.2E87E87-N89 VanDerWaalsContact C-N 3.34Å; E87-N89 PolarHBondContact O-N 2.92Å
90E62Low77.3Confident191 Ų19166 Ų6689%0.89336%0.36SS*.SBendtrans-126.91.6-171.5-61.1-173.4170.300115.4
91I71.8Confident78.1Confident73 Ų7365.4 Ų65.437%0.37436%0.356SS..  trans-90126.7-178.3-51.7178.6000109.3I77 V86 L93I77-I91 HydrophobicContact CG2-CG2 3.69Å; V86-I91 HydrophobicContact CG1-CD1 4.38Å; I91-L93 HydrophobicContact CG2-CD2 4.36Å; I91-L93 PolarHBondContact O-N 3.45Å
92D82.2Confident78.9Confident153 Ų15363.6 Ų63.682%0.81835%0.345SS*.  trans-68.9103.1170.5-167.626.9000109.1
93L89.4Confident80Confident22 Ų2259 Ų5912%0.11532%0.315CS..PPolyproline II helixtrans-85136.2-176.8-72.1177.2000109.9I5 L8 L72 I77 I91I5-L93 HydrophobicContact CB-CD1 4.47Å; I5-L93 HydrophobicContact CG2-CD1 3.99Å; L8-L93 HydrophobicContact CB-CD1 3.65Å; L8-L93 HydrophobicContact CD2-CD1 4.45Å; L8-L93 HydrophobicContact CD2-CD2 4.46Å; L72-L93 HydrophobicContact CD1-CD2 4.01Å; L72-L93 HydrophobicContact CD2-CD2 4.41Å; I77-L93 HydrophobicContact CG2-CD2 4.49Å; I91-L93 HydrophobicContact CG2-CD2 4.36Å; I91-L93 PolarHBondContact O-N 3.45Å
94P91.6Very high81.1Confident36 Ų3653.9 Ų53.923%0.23429%0.288CS..PPolyproline II helixtrans-61.2167.6170.627.2-33.6000111Y68 L72 I77 I98Y68-P94 HydrophobicContact CE2-CG 4.26Å; Y68-P94 PolarHBondContact OH-O 2.92Å; L72-P94 HydrophobicContact CD2-CG 3.45Å; L72-P94 VanDerWaalsContact CD2-CG 3.45Å; I77-P94 HydrophobicContact CD1-CG 4.18Å; P94-I98 HydrophobicContact CB-CD1 4.07Å; P94-I98 HydrophobicContact CB-CG2 4.39Å; P94-I98 HydrophobicContact CG-CD1 3.38Å; P94-I98 HydrophobicContact CG-CG1 4.22Å
95S92.6Very high82.9Confident40 Ų4051.6 Ų51.628%0.2827%0.272SS..PPolyproline II helixtrans-70.1165.1178.578.80000112.4S2 Y68 E97 I98S2-S95 WeakPolarHBondContact OG-CB 3.38Å; S2-S95 PolarHBondContact OG-OG 3.36Å; Y68-S95 WeakPolarHBondContact CE2-O 3.34Å; S95-E97 PolarHBondContact O-N 2.78Å; S95-E97 WeakPolarHBondContact OG-CB 3.38Å; S95-I98 PolarHBondContact O-N 2.91Å
96S92.5Very high84.5Confident3 Ų348 Ų482%0.02125%0.251CS..G310 helixtrans-53.5-26.1177.963.50000113.6R3 F63 I98 G99 E100R3-S96 PolarHBondContact N-OG 2.84Å; R3-S96 PolarHBondContact O-N 2.86Å; F63-S96 WeakPolarHBondContact CD2-O 3.49Å; F63-S96 WeakPolarHBondContact CE2-O 3.3Å; S96-I98 PolarHBondContact O-N 2.81Å; S96-I98 VanDerWaalsContact O-N 3.11Å; S96-G99 CarbonylContact O-C 3.53Å; S96-G99 WeakPolarHBondContact O-CA 3.29Å; S96-G99 PolarHBondContact O-N 2.82Å; S96-E100 PolarHBondContact O-N 3.28Å; S96-E100 PolarHBondContact OG-OE1 2.85Å
97E93.1Very high86.2Confident89 Ų8947.8 Ų47.842%0.41625%0.252SS..G310 helixtrans-52.2-37.4-174.3-173.7175.6-169.400113.4S95 G99 E100S95-E97 PolarHBondContact O-N 2.78Å; S95-E97 WeakPolarHBondContact OG-CB 3.38Å; E97-G99 PolarHBondContact O-N 3.37Å; E97-G99 VanDerWaalsContact O-N 3.13Å; E97-E100 PolarHBondContact O-N 3.01Å; E97-E100 VanDerWaalsContact O-N 3.08Å
98I92.5Very high87.9Confident29 Ų2944.9 Ų44.915%0.14924%0.24CC..G310 helixtrans-67-18.4-179.771.4164.2000112.9Y68 K71 L72 L75 P94 S95 S96Y68-I98 HydrophobicContact CD2-CD1 3.92Å; Y68-I98 HydrophobicContact CD2-CG1 3.4Å; Y68-I98 HydrophobicContact CE2-CD1 3.7Å; Y68-I98 HydrophobicContact CE2-CG1 3.41Å; Y68-I98 VanDerWaalsContact CE2-CG1 3.41Å; K71-I98 HydrophobicContact CB-CD1 4.01Å; K71-I98 HydrophobicContact CB-CG1 4.45Å; K71-I98 WeakPolarHBondContact CG-O 3.36Å; L72-I98 HydrophobicContact CD2-CD1 3.87Å; L72-I98 HydrophobicContact CG-CD1 4.39Å; L75-I98 HydrophobicContact CD1-CD1 4.23Å; P94-I98 HydrophobicContact CB-CD1 4.07Å; P94-I98 HydrophobicContact CB-CG2 4.39Å; P94-I98 HydrophobicContact CG-CD1 3.38Å; P94-I98 HydrophobicContact CG-CG1 4.22Å; S95-I98 PolarHBondContact O-N 2.91Å; S96-I98 PolarHBondContact O-N 2.81Å; S96-I98 VanDerWaalsContact O-N 3.11Å
99G94.1Very high89.7Confident0 Ų045.8 Ų45.80%024%0.244CC..G310 helixtrans-107.23.1176.400000113.9R64 S96 E97R64-G99 PolarHBondContact N-O 2.79Å; S96-G99 CarbonylContact O-C 3.53Å; S96-G99 WeakPolarHBondContact O-CA 3.29Å; S96-G99 PolarHBondContact O-N 2.82Å; E97-G99 PolarHBondContact O-N 3.37Å; E97-G99 VanDerWaalsContact O-N 3.13Å
100E95Very high91.4Very high16 Ų1644.4 Ų44.48%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-78.2135.9172.4-72.5172.6-159.100109.9K61 Q62 F63 S96 E97 P206K61-E100 WeakPolarHBondContact CE-OE2 3.43Å; K61-E100 HydrophobicContact CG-CB 4.25Å; Q62-E100 CarbonylContact O-C 3.59Å; Q62-E100 VanDerWaalsContact O-CA 3.28Å; Q62-E100 WeakPolarHBondContact O-CA 3.43Å; F63-E100 HydrophobicContact CB-CG 4.25Å; F63-E100 HydrophobicContact CD2-CG 4.47Å; S96-E100 PolarHBondContact O-N 3.28Å; S96-E100 PolarHBondContact OG-OE1 2.85Å; E97-E100 PolarHBondContact O-N 3.01Å; E97-E100 VanDerWaalsContact O-N 3.08Å; E100-P206 VanDerWaalsContact O-CD 3.31Å; E100-P206 WeakPolarHBondContact O-CD 3.39Å
101T95.5Very high92.7Very high8 Ų837.2 Ų37.25%0.04921%0.214CC..EExtended strand (participates in β ladder)trans-119.2148.8-17945.90000109.9K61 Q62 R64 V67 E103 P206K61-T101 VanDerWaalsContact CA-O 3.27Å; K61-T101 WeakPolarHBondContact CA-O 3.3Å; Q62-T101 PolarHBondContact N-O 2.77Å; Q62-T101 PolarHBondContact O-N 3.27Å; Q62-T101 PolarHBondContact O-OG1 3Å; R64-T101 HydrophobicContact CB-CG2 4.49Å; R64-T101 HydrophobicContact CG-CG2 4.2Å; R64-T101 VanDerWaalsContact CG-OG1 3.32Å; R64-T101 WeakPolarHBondContact CG-OG1 3.47Å; V67-T101 HydrophobicContact CB-CG2 4.38Å; V67-T101 HydrophobicContact CG1-CG2 4.12Å; V67-T101 HydrophobicContact CG2-CG2 3.98Å; T101-E103 WeakPolarHBondContact CB-OE1 3.06Å; T101-E103 VanDerWaalsContact OG1-CD 3.27Å; T101-E103 PolarHBondContact OG1-OE1 3.15Å; T101-P206 WeakPolarHBondContact CA-O 3.21Å; T101-P206 HydrophobicContact CG2-CB 4.31Å
102L96.3Very high93.5Very high7 Ų741.1 Ų41.14%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-98.7122.9169.4-170.268.3000108.8L59 K61 I184 W186 L194 Q205 P206 T207 S208 L211L59-L102 HydrophobicContact CB-CD1 3.81Å; L59-L102 HydrophobicContact CB-CG 4.26Å; L59-L102 HydrophobicContact CD1-CD1 4.18Å; L59-L102 HydrophobicContact CD1-CD2 3.76Å; L59-L102 HydrophobicContact CD1-CG 3.93Å; K61-L102 HydrophobicContact CB-CD1 4.4Å; L102-I184 HydrophobicContact CD1-CB 4.25Å; L102-I184 HydrophobicContact CD1-CG1 4.02Å; L102-I184 HydrophobicContact CD1-CG2 4.5Å; L102-W186 HydrophobicContact CD2-CE3 4.04Å; L102-W186 HydrophobicContact CD2-CH2 4.47Å; L102-W186 HydrophobicContact CD2-CZ3 3.9Å; L102-L194 HydrophobicContact CD2-CD2 3.36Å; L102-Q205 HydrophobicContact CB-CB 4.28Å; L102-P206 PolarHBondContact N-O 3.32Å; L102-T207 HydrophobicContact CB-CG2 4.33Å; L102-T207 WeakPolarHBondContact O-CA 3.39Å; L102-S208 PolarHBondContact O-N 2.91Å; L102-L211 HydrophobicContact CG-CD2 4.24Å; L102-L211 WeakPolarHBondContact O-CD2 3.38Å
103E97.3Very high94Very high22 Ų2238.5 Ų38.510%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-137.6169.6-166.2-57.7-17917900111.1V60 Q62 R64 T101V60-E103 HydrophobicContact CG2-CB 3.95Å; V60-E103 PolarHBondContact N-O 3.16Å; V60-E103 PolarHBondContact O-N 2.84Å; Q62-E103 PolarHBondContact NE2-OE2 3.01Å; R64-E103 WeakPolarHBondContact CG-OE1 3.32Å; R64-E103 IonicContact CZ-OE1 2.65Å; R64-E103 IonicContact CZ-OE2 3.82Å; R64-E103 IonicContact NE-OE1 2.89Å; R64-E103 PolarHBondContact NE-OE1 2.86Å; R64-E103 IonicContact NE-OE2 2.81Å; R64-E103 PolarHBondContact NE-OE2 2.9Å; R64-E103 IonicContact NH2-OE1 3.2Å; R64-E103 IonicContact NH2-OE2 3.86Å; R64-E103 PolarHBondContact NH2-OE2 3.16Å; T101-E103 WeakPolarHBondContact CB-OE1 3.06Å; T101-E103 VanDerWaalsContact OG1-CD 3.27Å; T101-E103 PolarHBondContact OG1-OE1 3.15Å
104L98.4Very high94.2Very high3 Ų342.3 Ų42.32%0.01625%0.248CC..  trans-79.2159.5164.7-63.2173.4000109.4L48 L59 V60 A106 L156 L211 A214L48-L104 HydrophobicContact CB-CD2 4.27Å; L48-L104 HydrophobicContact CD1-CD2 3.73Å; L59-L104 HydrophobicContact CD2-CD2 4.21Å; V60-L104 VanDerWaalsContact CG2-O 3.28Å; V60-L104 WeakPolarHBondContact CG2-O 3.43Å; L104-A106 PolarHBondContact O-N 2.98Å; L104-L156 HydrophobicContact CD1-CD1 3.67Å; L104-L211 HydrophobicContact CD2-CD1 3.61Å; L104-L211 HydrophobicContact CG-CB 4.19Å; L104-L211 HydrophobicContact CG-CD1 4.1Å; L104-A214 HydrophobicContact CD1-CB 3.7Å; L104-A214 HydrophobicContact CD2-CB 4.17Å
105C98.4Very high94.4Very high0 Ų043.8 Ų43.80%025%0.254CS..EExtended strand (participates in β ladder)trans-59.1129.6163.9177.50000109.3S46 I47 L49 E123 E127S46-C105 CarbonylContact C-O 3.59Å; S46-C105 VanDerWaalsContact CA-O 3.31Å; S46-C105 WeakPolarHBondContact CA-O 3.31Å; I47-C105 HydrophobicContact CB-CB 4.48Å; I47-C105 PolarHBondContact N-O 3.2Å; L49-C105 HydrophobicContact CD1-CB 4.28Å; C105-E123 VanDerWaalsContact SG-C 3.51Å; C105-E123 PolarHBondContact SG-O 2.83Å; C105-E123 VanDerWaalsContact SG-O 3.41Å; C105-E127 WeakPolarHBondContact CA-OE2 3.27Å; C105-E127 PolarHBondContact SG-OE2 2.76Å
106A97.5Very high94.7Very high23 Ų2343.4 Ų43.419%0.1925%0.25CS..EExtended strand (participates in β ladder)trans-160.1150.1-170.300000113V45 L104 E127V45-A106 VanDerWaalsContact O-CA 3.22Å; V45-A106 WeakPolarHBondContact O-CA 3.34Å; V45-A106 VanDerWaalsContact O-CB 3.22Å; V45-A106 WeakPolarHBondContact O-CB 3.46Å; L104-A106 PolarHBondContact O-N 2.98Å; A106-E127 PolarHBondContact N-OE2 2.95Å
107G95.7Very high94.9Very high12 Ų1246.2 Ų46.212%0.12426%0.262CS..EExtended strand (participates in β ladder)trans-152.9157.3177.700000112.5S44 V45 E123S44-G107 CarbonylContact C-O 3.58Å; S44-G107 VanDerWaalsContact CA-O 3.31Å; S44-G107 WeakPolarHBondContact CA-O 3.31Å; S44-G107 VanDerWaalsContact CB-O 3.23Å; S44-G107 WeakPolarHBondContact CB-O 3.29Å; V45-G107 PolarHBondContact N-O 3.21Å; V45-G107 PolarHBondContact O-N 3.48Å; G107-E123 WeakPolarHBondContact CA-OE1 3.24Å
108I94.8Very high95.1Very high85 Ų8545.8 Ų45.844%0.43626%0.262SS..EExtended strand (participates in β ladder)trans-85.2148.4178.359173.4000111H42 D110 Y119H42-I108 HydrophobicContact CB-CB 4.08Å; I108-D110 HydrophobicContact CD1-CB 3.88Å; I108-D110 HydrophobicContact CG1-CB 4.04Å; I108-D110 PolarHBondContact O-N 3.42Å; I108-Y119 VanDerWaalsContact O-CD1 3.23Å; I108-Y119 WeakPolarHBondContact O-CD1 3.47Å; I108-Y119 WeakPolarHBondContact O-CE1 3.23Å
109I96.3Very high95.4Very high24 Ų2445.4 Ų45.412%0.12326%0.259CS..  trans-93.690.3173.8-56175000107.7H42 D43 V45 P116 Y119H42-I109 PolarHBondContact ND1-O 3.42Å; H42-I109 VanDerWaalsContact ND1-O 3.16Å; D43-I109 PolarHBondContact O-N 3Å; V45-I109 HydrophobicContact CG1-CD1 4.11Å; V45-I109 HydrophobicContact CG1-CG1 4.37Å; I109-P116 HydrophobicContact CD1-CB 3.96Å; I109-P116 HydrophobicContact CD1-CG 3.91Å; I109-Y119 HydrophobicContact CB-CE2 4.44Å; I109-Y119 HydrophobicContact CG1-CD1 4.49Å; I109-Y119 HydrophobicContact CG1-CD2 4.13Å; I109-Y119 HydrophobicContact CG1-CG 4.11Å; I109-Y119 HydrophobicContact CG2-CD2 4.12Å; I109-Y119 HydrophobicContact CG2-CE2 3.77Å
110D91.9Very high95.6Very high97 Ų9745.4 Ų45.452%0.51926%0.259SS..  trans-121.20.6-170.672.9-17.9000115.2I108I108-D110 HydrophobicContact CD1-CB 3.88Å; I108-D110 HydrophobicContact CG1-CB 4.04Å; I108-D110 PolarHBondContact O-N 3.42Å
111G89.2Confident95.8Very high40 Ų4046.2 Ų46.241%0.41227%0.265SS..SBendtrans-94.2-175.5178.900000113.6Q113 Y119G111-Q113 VanDerWaalsContact C-N 3.3Å; G111-Y119 WeakPolarHBondContact CA-OH 3.33Å; G111-Y119 PolarHBondContact N-OH 3.02Å
112V89Confident95.9Very high155 Ų15551 Ų5194%0.93929%0.287SS*.SBendtrans-70.1-32.6176.41800000111.4
113Q92.4Very high96Very high97 Ų9751.7 Ų51.745%0.45329%0.29SS..  trans-75.6138.3172.317359.6-9500109.2G111 N115 L118 Y119G111-Q113 VanDerWaalsContact C-N 3.3Å; Q113-N115 HydrophobicContact CG-CB 4.36Å; Q113-N115 VanDerWaalsContact OE1-CB 3.27Å; Q113-L118 HydrophobicContact CG-CD1 3.72Å; Q113-Y119 HydrophobicContact CG-CE2 4.46Å; Q113-Y119 VanDerWaalsContact O-CE2 3.32Å; Q113-Y119 WeakPolarHBondContact O-CE2 3.08Å; Q113-Y119 PolarHBondContact O-OH 2.85Å
114T94Very high96Very high102 Ų10250.7 Ų50.763%0.62629%0.285SS*.  trans-118.82-177.563.10000113.4P116T114-P116 WeakPolarHBondContact O-CD 3.16Å
115N96.4Very high96Very high68 Ų6853.5 Ų53.536%0.36430%0.3SS..  trans-71.7111.6179.9-178.1-8.2000111.2Q113 K117 L118Q113-N115 HydrophobicContact CG-CB 4.36Å; Q113-N115 VanDerWaalsContact OE1-CB 3.27Å; N115-K117 PolarHBondContact O-N 3.19Å; N115-K117 WeakPolarHBondContact OD1-CB 3.42Å; N115-K117 PolarHBondContact OD1-N 2.65Å; N115-L118 HydrophobicContact CB-CD1 4.11Å; N115-L118 HydrophobicContact CB-CG 4.23Å; N115-L118 PolarHBondContact O-N 3.43Å; N115-L118 VanDerWaalsContact O-N 3.11Å
116P97.8Very high96Very high31 Ų3156 Ų5620%0.20131%0.312CS..Hα-helixtrans-60.4-31.5-177.4-21.433.7000112.9V45 I109 T114 L118 Y119 A120 T155 Y157V45-P116 HydrophobicContact CG1-CB 3.54Å; V45-P116 WeakPolarHBondContact CG1-O 3.08Å; I109-P116 HydrophobicContact CD1-CB 3.96Å; I109-P116 HydrophobicContact CD1-CG 3.91Å; T114-P116 WeakPolarHBondContact O-CD 3.16Å; P116-L118 VanDerWaalsContact C-N 3.27Å; P116-L118 PolarHBondContact O-N 3.4Å; P116-Y119 PolarHBondContact O-N 2.81Å; P116-A120 WeakPolarHBondContact O-CB 3.15Å; P116-A120 PolarHBondContact O-N 3.25Å; P116-T155 HydrophobicContact CB-CG2 4.03Å; P116-Y157 HydrophobicContact CB-CE2 4.11Å
117K97.8Very high96Very high62 Ų6255 Ų5527%0.2730%0.303SS..Hα-helixtrans-63.3-32.9180-173.2176.9-91.9-149.40112.5N115 V121 G134 L137N115-K117 PolarHBondContact O-N 3.19Å; N115-K117 WeakPolarHBondContact OD1-CB 3.42Å; N115-K117 PolarHBondContact OD1-N 2.65Å; K117-V121 WeakPolarHBondContact O-CG2 3.31Å; K117-V121 PolarHBondContact O-N 2.74Å; K117-G134 WeakPolarHBondContact CD-O 3.21Å; K117-G134 WeakPolarHBondContact CE-O 3.49Å; K117-G134 PolarHBondContact NZ-O 3.24Å; K117-L137 HydrophobicContact CG-CD1 3.7Å
118L97.3Very high96.1Very high81 Ų8154.5 Ų54.542%0.42430%0.297SS..Hα-helixtrans-71.7-45.6179.3-69.1177.2000111.4Q113 N115 P116 A120 V121 Q122Q113-L118 HydrophobicContact CG-CD1 3.72Å; N115-L118 HydrophobicContact CB-CD1 4.11Å; N115-L118 HydrophobicContact CB-CG 4.23Å; N115-L118 PolarHBondContact O-N 3.43Å; N115-L118 VanDerWaalsContact O-N 3.11Å; P116-L118 VanDerWaalsContact C-N 3.27Å; P116-L118 PolarHBondContact O-N 3.4Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 2.99Å; L118-V121 PolarHBondContact O-N 2.86Å; L118-Q122 WeakPolarHBondContact O-CG 3.08Å; L118-Q122 PolarHBondContact O-N 3.41Å; L118-Q122 VanDerWaalsContact O-N 3.13Å
119Y98.2Very high96.3Very high20 Ų2050.4 Ų50.48%0.07828%0.277CS..Hα-helixtrans-57-48.2172.5-78.9-94000110.4I108 I109 G111 Q113 P116 V121 Q122 E123I108-Y119 VanDerWaalsContact O-CD1 3.23Å; I108-Y119 WeakPolarHBondContact O-CD1 3.47Å; I108-Y119 WeakPolarHBondContact O-CE1 3.23Å; I109-Y119 HydrophobicContact CB-CE2 4.44Å; I109-Y119 HydrophobicContact CG1-CD1 4.49Å; I109-Y119 HydrophobicContact CG1-CD2 4.13Å; I109-Y119 HydrophobicContact CG1-CG 4.11Å; I109-Y119 HydrophobicContact CG2-CD2 4.12Å; I109-Y119 HydrophobicContact CG2-CE2 3.77Å; G111-Y119 WeakPolarHBondContact CA-OH 3.33Å; G111-Y119 PolarHBondContact N-OH 3.02Å; Q113-Y119 HydrophobicContact CG-CE2 4.46Å; Q113-Y119 VanDerWaalsContact O-CE2 3.32Å; Q113-Y119 WeakPolarHBondContact O-CE2 3.08Å; Q113-Y119 PolarHBondContact O-OH 2.85Å; P116-Y119 PolarHBondContact O-N 2.81Å; Y119-V121 VanDerWaalsContact C-N 3.26Å; Y119-V121 PolarHBondContact O-N 3.22Å; Y119-V121 VanDerWaalsContact O-N 3.14Å; Y119-Q122 WeakPolarHBondContact O-CA 3.23Å; Y119-Q122 WeakPolarHBondContact O-CB 3.22Å; Y119-Q122 PolarHBondContact O-N 2.9Å; Y119-E123 WeakPolarHBondContact O-CG 3.44Å; Y119-E123 PolarHBondContact O-N 2.88Å
120A98.6Very high96.4Very high0 Ų049.4 Ų49.40%027%0.271CS..Hα-helixtrans-55.7-37.7179.800000113.7V45 I47 P116 L118 V124 L137 Y157V45-A120 HydrophobicContact CB-CB 4.47Å; V45-A120 HydrophobicContact CG2-CB 4.48Å; I47-A120 HydrophobicContact CD1-CB 3.89Å; I47-A120 HydrophobicContact CG1-CB 3.75Å; P116-A120 WeakPolarHBondContact O-CB 3.15Å; P116-A120 PolarHBondContact O-N 3.25Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 2.99Å; A120-V124 WeakPolarHBondContact O-CG2 3.23Å; A120-V124 PolarHBondContact O-N 3.38Å; A120-L137 HydrophobicContact CB-CD1 3.73Å; A120-L137 HydrophobicContact CB-CD2 4.34Å; A120-Y157 HydrophobicContact CB-CD2 3.75Å; A120-Y157 HydrophobicContact CB-CE2 4.06Å
121V98.4Very high96.7Very high34 Ų3451.8 Ų51.821%0.20628%0.277CS..Hα-helixtrans-71.5-37.6175.2175.10000112K117 L118 Y119 L125 I132 L137K117-V121 WeakPolarHBondContact O-CG2 3.31Å; K117-V121 PolarHBondContact O-N 2.74Å; L118-V121 PolarHBondContact O-N 2.86Å; Y119-V121 VanDerWaalsContact C-N 3.26Å; Y119-V121 PolarHBondContact O-N 3.22Å; Y119-V121 VanDerWaalsContact O-N 3.14Å; V121-L125 PolarHBondContact O-N 3.41Å; V121-I132 HydrophobicContact CG1-CG1 4.41Å; V121-I132 HydrophobicContact CG2-CG1 4.32Å; V121-L137 HydrophobicContact CG2-CD1 3.75Å
122Q97.6Very high97.1Very high109 Ų10950.4 Ų50.451%0.50926%0.26SS..Hα-helixtrans-65.3-50178.4-70.6170.3-42.500110.8L118 Y119 V124 L125 E126L118-Q122 WeakPolarHBondContact O-CG 3.08Å; L118-Q122 PolarHBondContact O-N 3.41Å; L118-Q122 VanDerWaalsContact O-N 3.13Å; Y119-Q122 WeakPolarHBondContact O-CA 3.23Å; Y119-Q122 WeakPolarHBondContact O-CB 3.22Å; Y119-Q122 PolarHBondContact O-N 2.9Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 2.91Å; Q122-L125 WeakPolarHBondContact O-CB 3.31Å; Q122-L125 PolarHBondContact O-N 3.22Å; Q122-E126 WeakPolarHBondContact O-CB 3.41Å; Q122-E126 PolarHBondContact O-N 3.16Å
123E98.2Very high97.5Very high21 Ų2147.7 Ų47.710%0.09824%0.24CC..Hα-helixtrans-61.2-39.9-179.5-61-52.5158.200112.5V45 I47 C105 G107 Y119 L125 E126 E127V45-E123 HydrophobicContact CG2-CG 4.19Å; I47-E123 HydrophobicContact CD1-CB 4.36Å; C105-E123 VanDerWaalsContact SG-C 3.51Å; C105-E123 PolarHBondContact SG-O 2.83Å; C105-E123 VanDerWaalsContact SG-O 3.41Å; G107-E123 WeakPolarHBondContact CA-OE1 3.24Å; Y119-E123 WeakPolarHBondContact O-CG 3.44Å; Y119-E123 PolarHBondContact O-N 2.88Å; E123-L125 PolarHBondContact O-N 2.91Å; E123-E126 PolarHBondContact O-N 2.86Å; E123-E127 WeakPolarHBondContact O-CB 3.34Å; E123-E127 PolarHBondContact O-N 3.19Å
124V98.7Very high97.7Very high0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-62.8-31.9177.9172.90000111.7I47 L49 A120 Q122 C128 G129 Y130 I132I47-V124 HydrophobicContact CB-CG2 4.04Å; I47-V124 HydrophobicContact CD1-CG2 4.28Å; I47-V124 HydrophobicContact CG1-CG2 4.03Å; I47-V124 HydrophobicContact CG2-CG2 3.92Å; L49-V124 HydrophobicContact CD1-CG1 3.94Å; L49-V124 HydrophobicContact CD1-CG2 4.14Å; L49-V124 HydrophobicContact CD2-CG1 4Å; L49-V124 HydrophobicContact CD2-CG2 3.91Å; L49-V124 HydrophobicContact CG-CG2 4.43Å; A120-V124 WeakPolarHBondContact O-CG2 3.23Å; A120-V124 PolarHBondContact O-N 3.38Å; Q122-V124 VanDerWaalsContact C-N 3.33Å; Q122-V124 PolarHBondContact O-N 2.91Å; V124-C128 CarbonylContact O-C 3.49Å; V124-C128 WeakPolarHBondContact O-CA 3.22Å; V124-C128 VanDerWaalsContact O-CB 3.26Å; V124-C128 WeakPolarHBondContact O-CB 3.35Å; V124-C128 PolarHBondContact O-N 3.16Å; V124-G129 PolarHBondContact O-N 2.78Å; V124-G129 VanDerWaalsContact O-N 3.09Å; V124-Y130 CarbonylContact C-O 3.57Å; V124-Y130 PolarHBondContact O-N 3.09Å; V124-I132 HydrophobicContact CB-CD1 4.15Å; V124-I132 HydrophobicContact CB-CG1 4.34Å; V124-I132 HydrophobicContact CG1-CD1 4.03Å; V124-I132 HydrophobicContact CG1-CG1 4.1Å; V124-I132 HydrophobicContact CG1-CG2 4.19Å; V124-I132 HydrophobicContact CG2-CD1 4.02Å
125L98.3Very high97.9Very high62 Ų6245.5 Ų45.533%0.32523%0.231SC..Hα-helixtrans-77.7-45.2173.4178.260.6000111.6V121 Q122 E123 G129 Y130 V167 A170 G171V121-L125 PolarHBondContact O-N 3.41Å; Q122-L125 WeakPolarHBondContact O-CB 3.31Å; Q122-L125 PolarHBondContact O-N 3.22Å; E123-L125 PolarHBondContact O-N 2.91Å; L125-G129 WeakPolarHBondContact O-CA 3.37Å; L125-G129 PolarHBondContact O-N 2.93Å; L125-Y130 WeakPolarHBondContact CA-O 3.36Å; L125-Y130 PolarHBondContact N-O 3.46Å; L125-V167 HydrophobicContact CD1-CB 4Å; L125-V167 HydrophobicContact CD1-CG2 3.76Å; L125-A170 HydrophobicContact CD1-CB 3.96Å; L125-G171 PolarHBondContact O-N 3.29Å
126E97.4Very high98Very high54 Ų5444.9 Ų44.925%0.25223%0.232SC..Hα-helixtrans-67.1-50.7-175.2-177.8169.7138.300112.8Q122 E123 G171 G172 G173 L174Q122-E126 WeakPolarHBondContact O-CB 3.41Å; Q122-E126 PolarHBondContact O-N 3.16Å; E123-E126 PolarHBondContact O-N 2.86Å; E126-G171 CarbonylContact O-C 3.55Å; E126-G171 WeakPolarHBondContact O-CA 3.33Å; E126-G172 PolarHBondContact O-N 2.8Å; E126-G173 PolarHBondContact O-N 2.92Å; E126-L174 VanDerWaalsContact CD-CG 3.49Å; E126-L174 HydrophobicContact CG-CG 4.08Å; E126-L174 VanDerWaalsContact OE1-CD1 3.3Å; E126-L174 WeakPolarHBondContact OE1-CD1 3.49Å; E126-L174 VanDerWaalsContact OE1-CG 3.24Å; E126-L174 WeakPolarHBondContact OE1-CG 3.08Å
127E98.1Very high98Very high2 Ų244 Ų441%0.00923%0.226CC..THydrogen-bonded Turntrans-86.1-43.6-177.5-59.2-166.3131.300111.4V60 C105 A106 E123 G171 G172 I181 V183V60-E127 HydrophobicContact CG1-CB 4.4Å; C105-E127 WeakPolarHBondContact CA-OE2 3.27Å; C105-E127 PolarHBondContact SG-OE2 2.76Å; A106-E127 PolarHBondContact N-OE2 2.95Å; E123-E127 WeakPolarHBondContact O-CB 3.34Å; E123-E127 PolarHBondContact O-N 3.19Å; E127-G171 WeakPolarHBondContact O-CA 3.36Å; E127-G172 PolarHBondContact O-N 2.78Å; E127-I181 HydrophobicContact CB-CD1 4.17Å; E127-I181 HydrophobicContact CG-CD1 3.62Å; E127-I181 WeakPolarHBondContact OE1-CD1 3.49Å; E127-V183 VanDerWaalsContact O-CG2 3.23Å; E127-V183 WeakPolarHBondContact O-CG2 3.32Å
128C98.1Very high98Very high0 Ų045.9 Ų45.90%024%0.235CC..THydrogen-bonded Turntrans-101.3-16.7-171.1-63.60000114.6L49 V124 Y130 K166L49-C128 HydrophobicContact CD1-CB 3.91Å; V124-C128 CarbonylContact O-C 3.49Å; V124-C128 WeakPolarHBondContact O-CA 3.22Å; V124-C128 VanDerWaalsContact O-CB 3.26Å; V124-C128 WeakPolarHBondContact O-CB 3.35Å; V124-C128 PolarHBondContact O-N 3.16Å; C128-Y130 HydrophobicContact CB-CD2 4.22Å; C128-Y130 WeakPolarHBondContact O-CD2 3.48Å; C128-Y130 WeakPolarHBondContact O-CE2 3.33Å; C128-K166 PolarHBondContact O-NZ 2.85Å
129G98.1Very high98.1Very high0 Ų046.3 Ų46.30%024%0.238CC..  trans74.724.7178.300000114.6V124 L125 K166 V167V124-G129 PolarHBondContact O-N 2.78Å; V124-G129 VanDerWaalsContact O-N 3.09Å; L125-G129 WeakPolarHBondContact O-CA 3.37Å; L125-G129 PolarHBondContact O-N 2.93Å; G129-K166 WeakPolarHBondContact O-CD 3.32Å; G129-V167 PolarHBondContact O-N 3.47Å
130Y98.6Very high98.1Very high3 Ų346.4 Ų46.41%0.01224%0.239CC..BIsolated β-bridgetrans-115.4135176.7-70.9-95.9000111H51 L58 V124 L125 C128 V161 Q165 K166H51-Y130 PolarHBondContact CD2-OH 3.28Å; L58-Y130 HydrophobicContact CD1-CD2 3.7Å; L58-Y130 HydrophobicContact CD1-CE2 3.23Å; V124-Y130 CarbonylContact C-O 3.57Å; V124-Y130 PolarHBondContact O-N 3.09Å; L125-Y130 WeakPolarHBondContact CA-O 3.36Å; L125-Y130 PolarHBondContact N-O 3.46Å; C128-Y130 HydrophobicContact CB-CD2 4.22Å; C128-Y130 WeakPolarHBondContact O-CD2 3.48Å; C128-Y130 WeakPolarHBondContact O-CE2 3.33Å; Y130-V161 HydrophobicContact CD1-CB 3.82Å; Y130-V161 HydrophobicContact CD1-CG1 4.27Å; Y130-V161 HydrophobicContact CD1-CG2 4.36Å; Y130-V161 HydrophobicContact CE1-CB 4.21Å; Y130-V161 HydrophobicContact CE1-CG2 4.33Å; Y130-V161 HydrophobicContact CG-CB 4.12Å; Y130-V161 HydrophobicContact CG-CG1 4.1Å; Y130-Q165 WeakPolarHBondContact CA-O 3.44Å; Y130-Q165 HydrophobicContact CD1-CB 4.19Å; Y130-K166 HydrophobicContact CD1-CB 4.16Å; Y130-K166 HydrophobicContact CD1-CD 4.22Å; Y130-K166 HydrophobicContact CD2-CD 4.02Å; Y130-K166 HydrophobicContact CE1-CB 3.83Å; Y130-K166 HydrophobicContact CE1-CD 3.79Å; Y130-K166 HydrophobicContact CE1-CG 4.41Å; Y130-K166 HydrophobicContact CE2-CD 3.54Å; Y130-K166 HydrophobicContact CG-CD 4.33Å; Y130-K166 VanDerWaalsContact CZ-CD 3.43Å
131K98.3Very high98.1Very high147 Ų14749.7 Ų49.764%0.63926%0.257SS*.  trans-97.1102.5175-172.2174.7-177.4175.80110.4Q165 V167K131-Q165 PolarHBondContact N-O 3.22Å; K131-Q165 WeakPolarHBondContact O-CG 3.26Å; K131-V167 HydrophobicContact CB-CG2 3.87Å
132I98.2Very high98Very high11 Ų1150 Ų506%0.05626%0.261CS..  trans-101.2165.1176.862.7168.4000112V121 V124 L137 A159 V161V121-I132 HydrophobicContact CG1-CG1 4.41Å; V121-I132 HydrophobicContact CG2-CG1 4.32Å; V124-I132 HydrophobicContact CB-CD1 4.15Å; V124-I132 HydrophobicContact CB-CG1 4.34Å; V124-I132 HydrophobicContact CG1-CD1 4.03Å; V124-I132 HydrophobicContact CG1-CG1 4.1Å; V124-I132 HydrophobicContact CG1-CG2 4.19Å; V124-I132 HydrophobicContact CG2-CD1 4.02Å; I132-L137 HydrophobicContact CD1-CD2 3.88Å; I132-L137 HydrophobicContact CD1-CG 4.1Å; I132-A159 HydrophobicContact CD1-CB 4.04Å; I132-V161 HydrophobicContact CG2-CG1 3.77Å
133N97.3Very high98.1Very high98 Ų9847.4 Ų47.452%0.52425%0.248SC..  trans-93138.2170.8-175.3-27000109D135 S136N133-D135 PolarHBondContact O-N 3.17Å; N133-D135 VanDerWaalsContact O-N 3.11Å; N133-D135 PolarHBondContact OD1-N 3.33Å; N133-S136 PolarHBondContact O-N 2.89Å; N133-S136 PolarHBondContact O-OG 3.12Å
134G97.1Very high98Very high15 Ų1553.4 Ų53.416%0.15527%0.271CS..G310 helixtrans-55.6-27.5174.300000113.9K117 S136 L137K117-G134 WeakPolarHBondContact CD-O 3.21Å; K117-G134 WeakPolarHBondContact CE-O 3.49Å; K117-G134 PolarHBondContact NZ-O 3.24Å; G134-S136 VanDerWaalsContact C-N 3.28Å; G134-S136 PolarHBondContact O-N 3.46Å; G134-L137 WeakPolarHBondContact O-CB 3.37Å; G134-L137 PolarHBondContact O-N 2.93Å
135D97.5Very high97.7Very high138 Ų13855.7 Ų55.774%0.73829%0.287SS*.G310 helixtrans-72.4-18.7176.4-66.5-26.7000113.6N133 L137N133-D135 PolarHBondContact O-N 3.17Å; N133-D135 VanDerWaalsContact O-N 3.11Å; N133-D135 PolarHBondContact OD1-N 3.33Å; D135-L137 VanDerWaalsContact C-N 3.32Å
136S97.4Very high97.4Very high55 Ų5555.8 Ų55.839%0.38529%0.293SS..G310 helixtrans-82.5-9.1173.771.90000113.3N133 G134 H138N133-S136 PolarHBondContact O-N 2.89Å; N133-S136 PolarHBondContact O-OG 3.12Å; G134-S136 VanDerWaalsContact C-N 3.28Å; G134-S136 PolarHBondContact O-N 3.46Å; S136-H138 PolarHBondContact O-N 3.46Å
137L98.6Very high97.3Very high11 Ų1158.9 Ų58.96%0.05832%0.315CS..PPolyproline II helixtrans-74120.8175.2-73.1164.9000110.5I47 K117 A120 V121 I132 G134 D135 Y157 A159I47-L137 HydrophobicContact CG2-CD2 4.1Å; K117-L137 HydrophobicContact CG-CD1 3.7Å; A120-L137 HydrophobicContact CB-CD1 3.73Å; A120-L137 HydrophobicContact CB-CD2 4.34Å; V121-L137 HydrophobicContact CG2-CD1 3.75Å; I132-L137 HydrophobicContact CD1-CD2 3.88Å; I132-L137 HydrophobicContact CD1-CG 4.1Å; G134-L137 WeakPolarHBondContact O-CB 3.37Å; G134-L137 PolarHBondContact O-N 2.93Å; D135-L137 VanDerWaalsContact C-N 3.32Å; L137-Y157 HydrophobicContact CB-CD1 4.01Å; L137-Y157 HydrophobicContact CB-CG 4.34Å; L137-Y157 HydrophobicContact CD2-CG 4.11Å; L137-A159 HydrophobicContact CD2-CB 3.92Å
138H98.5Very high97.1Very high102 Ų10260.8 Ų60.847%0.47234%0.335SS..EExtended strand (participates in β ladder)trans-96.4119.5171.4-17975000109.7S136 I140 Y157 Y158 W217S136-H138 PolarHBondContact O-N 3.46Å; H138-I140 PolarHBondContact O-N 3.07Å; H138-Y157 CarbonylContact O-C 3.16Å; H138-Y157 VanDerWaalsContact O-CA 3.29Å; H138-Y157 WeakPolarHBondContact O-CA 3.27Å; H138-Y158 HydrophobicContact CB-CD1 4.28Å; H138-Y158 PolarHBondContact N-O 2.92Å; H138-Y158 PolarHBondContact O-N 3.48Å; H138-W217 AromaticContact CD2-CH2 3.82Å; H138-W217 AromaticContact CD2-CZ2 3.57Å; H138-W217 AromaticContact NE2-CZ2 3.7Å
139L98.7Very high97Very high90 Ų9065.1 Ų65.147%0.47136%0.358SS..EExtended strand (participates in β ladder)trans-68119.5174.9178.665.4000109.5T155 Y157L139-T155 HydrophobicContact CD1-CG2 3.61Å; L139-Y157 HydrophobicContact CB-CD1 4.15Å; L139-Y157 HydrophobicContact CB-CE1 3.96Å; L139-Y157 HydrophobicContact CD1-CD1 4.17Å; L139-Y157 HydrophobicContact CD1-CE1 3.78Å; L139-Y157 HydrophobicContact CG-CE1 4.47Å
140I98.7Very high96.8Very high22 Ų2265.9 Ų65.911%0.11336%0.364CS..EExtended strand (participates in β ladder)trans-80.6-58.3171.6-66.5170.8000109.1L48 H138 L156 Y213 W217L48-I140 HydrophobicContact CB-CD1 4.42Å; H138-I140 PolarHBondContact O-N 3.07Å; I140-L156 HydrophobicContact CB-CB 4.44Å; I140-L156 HydrophobicContact CB-CD2 4.14Å; I140-L156 HydrophobicContact CB-CG 4.01Å; I140-L156 WeakPolarHBondContact CB-O 3.49Å; I140-L156 HydrophobicContact CD1-CD1 4.43Å; I140-L156 HydrophobicContact CD1-CD2 3.99Å; I140-L156 HydrophobicContact CD1-CG 3.82Å; I140-L156 HydrophobicContact CG1-CG 4.43Å; I140-L156 HydrophobicContact CG2-CD2 3.93Å; I140-L156 HydrophobicContact CG2-CG 4.37Å; I140-L156 PolarHBondContact N-O 3.47Å; I140-Y213 HydrophobicContact CG2-CE1 4.23Å; I140-W217 HydrophobicContact CB-CD2 4.46Å; I140-W217 HydrophobicContact CD1-CD2 3.78Å; I140-W217 HydrophobicContact CD1-CE3 3.55Å; I140-W217 HydrophobicContact CD1-CG 4.35Å; I140-W217 HydrophobicContact CD1-CH2 4.4Å; I140-W217 HydrophobicContact CD1-CZ3 3.89Å; I140-W217 HydrophobicContact CG1-CD2 3.73Å; I140-W217 HydrophobicContact CG1-CE3 3.89Å; I140-W217 HydrophobicContact CG1-CG 4.33Å; I140-W217 HydrophobicContact CG1-CH2 4.05Å; I140-W217 HydrophobicContact CG1-CZ2 3.89Å; I140-W217 HydrophobicContact CG1-CZ3 4.05Å; I140-W217 HydrophobicContact CG2-CB 4.25Å; I140-W217 VanDerWaalsContact CG2-CD1 3.49Å; I140-W217 HydrophobicContact CG2-CD2 3.97Å; I140-W217 HydrophobicContact CG2-CG 3.64Å
141N97.8Very high96.7Very high69 Ų6967.4 Ų67.437%0.36938%0.381SS..EExtended strand (participates in β ladder)trans-168.4165.7-175.7-154.2-8.1000111.1F143 L156 Y213N141-F143 HydrophobicContact CB-CD1 4.42Å; N141-L156 PolarHBondContact N-O 3.21Å; N141-L156 PolarHBondContact O-N 2.83Å; N141-Y213 HydrophobicContact CB-CE1 4.16Å; N141-Y213 PolarHBondContact ND2-OH 3.2Å
142S97.8Very high96.5Very high42 Ų4261.1 Ų61.129%0.29435%0.354SS..EExtended strand (participates in β ladder)trans-122.5139.4160.6-57.40000110.3E153 V154 T155S142-E153 WeakPolarHBondContact CB-OE1 3.44Å; S142-V154 VanDerWaalsContact CA-O 3.31Å; S142-V154 WeakPolarHBondContact CA-O 3.35Å; S142-T155 PolarHBondContact OG-OG1 3.24Å
143F97.8Very high96.5Very high54 Ų5463.6 Ų63.624%0.23737%0.366CS..EExtended strand (participates in β ladder)trans-150.6152.5-175.451.8-94.9000112.1N141 V154 L156 Y213N141-F143 HydrophobicContact CB-CD1 4.42Å; F143-V154 HydrophobicContact CD2-CB 4.1Å; F143-V154 HydrophobicContact CE2-CB 3.67Å; F143-V154 HydrophobicContact CE2-CG1 4.04Å; F143-V154 HydrophobicContact CE2-CG2 4.13Å; F143-V154 HydrophobicContact CZ-CB 4.01Å; F143-V154 HydrophobicContact CZ-CG1 3.93Å; F143-V154 PolarHBondContact N-O 2.81Å; F143-V154 PolarHBondContact O-N 3.49Å; F143-L156 HydrophobicContact CE1-CB 3.87Å; F143-L156 HydrophobicContact CE1-CD2 4.15Å; F143-L156 HydrophobicContact CZ-CB 4.47Å; F143-Y213 HydrophobicContact CD1-CE1 4.34Å; F143-Y213 HydrophobicContact CE1-CD1 4Å; F143-Y213 HydrophobicContact CE1-CE1 4.09Å
144Y96.6Very high96.5Very high146 Ų14659.3 Ų59.357%0.57334%0.343SS*.EExtended strand (participates in β ladder)trans-81130.6175.8-76.6-91.3000111.9G151 T152 E153Y144-G151 VanDerWaalsContact CD1-O 3.31Å; Y144-G151 WeakPolarHBondContact CD1-O 3.3Å; Y144-G151 WeakPolarHBondContact CE1-O 3.33Å; Y144-T152 CarbonylContact C-O 3.56Å; Y144-T152 WeakPolarHBondContact CA-O 3.24Å; Y144-E153 HydrophobicContact CE1-CB 4.3Å
145S93.5Very high96.6Very high49 Ų4959.1 Ų59.134%0.34334%0.339SS..EExtended strand (participates in β ladder)trans-105.3161.1172.4-1740000110.6V147 T152S145-V147 PolarHBondContact O-N 2.89Å; S145-V147 VanDerWaalsContact O-N 3.11Å; S145-T152 PolarHBondContact N-O 2.9Å; S145-T152 PolarHBondContact O-N 3.17Å
146S92.1Very high96.7Very high64 Ų6452.6 Ų52.645%0.44830%0.304SS..SBendtrans49.441.7178.7-64.20000113.2G148 L149 A150 G151S146-G148 PolarHBondContact O-N 3.02Å; S146-L149 PolarHBondContact O-N 3.25Å; S146-A150 PolarHBondContact O-N 3.28Å; S146-G151 PolarHBondContact O-N 3.28Å
147V95Very high96.7Very high118 Ų11850.9 Ų50.972%0.71529%0.29SS*.THydrogen-bonded Turntrans-57.7-19.7-167-63.70000115.6S145S145-V147 PolarHBondContact O-N 2.89Å; S145-V147 VanDerWaalsContact O-N 3.11Å
148G94.3Very high96.7Very high42 Ų4251 Ų5143%0.43329%0.289SS..THydrogen-bonded Turntrans-100.8-4.2176.500000115.2W36 S146W36-G148 PolarHBondContact NE1-O 3.3Å; W36-G148 VanDerWaalsContact NE1-O 3.08Å; S146-G148 PolarHBondContact O-N 3.02Å
149L94.6Very high96.8Very high91 Ų9146.2 Ų46.248%0.47627%0.267SS..THydrogen-bonded Turntrans-131.2-55.4-170.1-18062.3000112.7G38 I39 S146G38-L149 CarbonylContact C-O 3.56Å; G38-L149 WeakPolarHBondContact CA-O 3.43Å; I39-L149 HydrophobicContact CD1-CD1 4.44Å; I39-L149 HydrophobicContact CD1-CD2 3.94Å; I39-L149 HydrophobicContact CD1-CG 3.87Å; I39-L149 HydrophobicContact CG1-CD1 4.35Å; I39-L149 HydrophobicContact CG1-CG 3.97Å; I39-L149 HydrophobicContact CG2-CD1 4.08Å; I39-L149 PolarHBondContact N-O 3.26Å; S146-L149 PolarHBondContact O-N 3.25Å
150A95.1Very high96.7Very high16 Ų1645.4 Ų45.413%0.13226%0.261CS..THydrogen-bonded Turntrans-110.4-36.9-177.200000112.5I39 A41 S146 T152I39-A150 HydrophobicContact CD1-CB 4.33Å; I39-A150 HydrophobicContact CG1-CB 3.85Å; A41-A150 HydrophobicContact CB-CB 4.05Å; S146-A150 PolarHBondContact O-N 3.28Å; A150-T152 VanDerWaalsContact C-N 3.33Å; A150-T152 HydrophobicContact CB-CG2 4.1Å; A150-T152 PolarHBondContact O-N 3.33Å
151G95.4Very high96.7Very high35 Ų3544.4 Ų44.436%0.36126%0.256SS..  trans60.440.3-179.200000113.3Y144 S146Y144-G151 VanDerWaalsContact CD1-O 3.31Å; Y144-G151 WeakPolarHBondContact CD1-O 3.3Å; Y144-G151 WeakPolarHBondContact CE1-O 3.33Å; S146-G151 PolarHBondContact O-N 3.28Å
152T95.4Very high96.7Very high15 Ų1544 Ų449%0.09225%0.252CS..EExtended strand (participates in β ladder)trans-92.9148-179.2530000111.8A41 H42 Y144 S145 A150A41-T152 HydrophobicContact CB-CG2 3.77Å; A41-T152 WeakPolarHBondContact O-CG2 3.33Å; H42-T152 WeakPolarHBondContact O-CG2 3.44Å; Y144-T152 CarbonylContact C-O 3.56Å; Y144-T152 WeakPolarHBondContact CA-O 3.24Å; S145-T152 PolarHBondContact N-O 2.9Å; S145-T152 PolarHBondContact O-N 3.17Å; A150-T152 VanDerWaalsContact C-N 3.33Å; A150-T152 HydrophobicContact CB-CG2 4.1Å; A150-T152 PolarHBondContact O-N 3.33Å
153E97.2Very high96.6Very high63 Ų6346.6 Ų46.629%0.29426%0.259SS..EExtended strand (participates in β ladder)trans-86.8140.1176-170.4170.9-170.700111D43 S44 S142 Y144D43-E153 CarbonylContact C-O 3.57Å; D43-E153 VanDerWaalsContact CA-O 3.24Å; D43-E153 WeakPolarHBondContact CA-O 3.4Å; D43-E153 WeakPolarHBondContact CB-O 3.15Å; D43-E153 PolarHBondContact OD1-N 3.22Å; S44-E153 PolarHBondContact N-O 3.5Å; S142-E153 WeakPolarHBondContact CB-OE1 3.44Å; Y144-E153 HydrophobicContact CE1-CB 4.3Å
154V98.2Very high96.6Very high8 Ų850.9 Ų50.95%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-116.7123.6172.3-1760000108S44 S142 F143S44-V154 CarbonylContact O-C 3.49Å; S44-V154 WeakPolarHBondContact O-CA 3.4Å; S142-V154 VanDerWaalsContact CA-O 3.31Å; S142-V154 WeakPolarHBondContact CA-O 3.35Å; F143-V154 HydrophobicContact CD2-CB 4.1Å; F143-V154 HydrophobicContact CE2-CB 3.67Å; F143-V154 HydrophobicContact CE2-CG1 4.04Å; F143-V154 HydrophobicContact CE2-CG2 4.13Å; F143-V154 HydrophobicContact CZ-CB 4.01Å; F143-V154 HydrophobicContact CZ-CG1 3.93Å; F143-V154 PolarHBondContact N-O 2.81Å; F143-V154 PolarHBondContact O-N 3.49Å
155T98.6Very high96.7Very high12 Ų1246 Ų467%0.07427%0.267CS..EExtended strand (participates in β ladder)trans-97.5117.5172.9-56.50000109.8S44 V45 S46 P116 L139 S142 Y157S44-T155 PolarHBondContact O-N 2.89Å; V45-T155 CarbonylContact C-O 3.48Å; V45-T155 VanDerWaalsContact CA-O 3.3Å; V45-T155 WeakPolarHBondContact CA-O 3.28Å; S46-T155 PolarHBondContact N-O 2.69Å; P116-T155 HydrophobicContact CB-CG2 4.03Å; L139-T155 HydrophobicContact CD1-CG2 3.61Å; S142-T155 PolarHBondContact OG-OG1 3.24Å; T155-Y157 HydrophobicContact CG2-CD2 4.21Å; T155-Y157 HydrophobicContact CG2-CE1 4.33Å; T155-Y157 HydrophobicContact CG2-CE2 3.48Å; T155-Y157 VanDerWaalsContact CG2-CE2 3.48Å
156L98.8Very high96.9Very high0 Ų047.1 Ų47.10%027%0.265CS..EExtended strand (participates in β ladder)trans-103.3123.6-176.5177.664.1000111.1S46 L104 I140 N141 F143 Y213 A214S46-L156 CarbonylContact O-C 3.59Å; S46-L156 WeakPolarHBondContact O-CA 3.37Å; L104-L156 HydrophobicContact CD1-CD1 3.67Å; I140-L156 HydrophobicContact CB-CB 4.44Å; I140-L156 HydrophobicContact CB-CD2 4.14Å; I140-L156 HydrophobicContact CB-CG 4.01Å; I140-L156 WeakPolarHBondContact CB-O 3.49Å; I140-L156 HydrophobicContact CD1-CD1 4.43Å; I140-L156 HydrophobicContact CD1-CD2 3.99Å; I140-L156 HydrophobicContact CD1-CG 3.82Å; I140-L156 HydrophobicContact CG1-CG 4.43Å; I140-L156 HydrophobicContact CG2-CD2 3.93Å; I140-L156 HydrophobicContact CG2-CG 4.37Å; I140-L156 PolarHBondContact N-O 3.47Å; N141-L156 PolarHBondContact N-O 3.21Å; N141-L156 PolarHBondContact O-N 2.83Å; F143-L156 HydrophobicContact CE1-CB 3.87Å; F143-L156 HydrophobicContact CE1-CD2 4.15Å; F143-L156 HydrophobicContact CZ-CB 4.47Å; L156-Y213 HydrophobicContact CD2-CD1 3.63Å; L156-Y213 HydrophobicContact CD2-CE1 3.86Å; L156-A214 HydrophobicContact CD1-CB 4.25Å; L156-A214 HydrophobicContact CD2-CB 4Å
157Y98.9Very high97.2Very high20 Ų2046.3 Ų46.38%0.07826%0.258CS..EExtended strand (participates in β ladder)trans-111.6157.2174.8-65.1-76.4000112.2V45 S46 I47 L48 P116 A120 L137 H138 L139 T155V45-Y157 HydrophobicContact CG1-CE2 4.47Å; S46-Y157 PolarHBondContact O-N 3.3Å; I47-Y157 CarbonylContact C-O 3.46Å; I47-Y157 WeakPolarHBondContact CA-O 3.27Å; L48-Y157 PolarHBondContact N-O 3Å; P116-Y157 HydrophobicContact CB-CE2 4.11Å; A120-Y157 HydrophobicContact CB-CD2 3.75Å; A120-Y157 HydrophobicContact CB-CE2 4.06Å; L137-Y157 HydrophobicContact CB-CD1 4.01Å; L137-Y157 HydrophobicContact CB-CG 4.34Å; L137-Y157 HydrophobicContact CD2-CG 4.11Å; H138-Y157 CarbonylContact O-C 3.16Å; H138-Y157 VanDerWaalsContact O-CA 3.29Å; H138-Y157 WeakPolarHBondContact O-CA 3.27Å; L139-Y157 HydrophobicContact CB-CD1 4.15Å; L139-Y157 HydrophobicContact CB-CE1 3.96Å; L139-Y157 HydrophobicContact CD1-CD1 4.17Å; L139-Y157 HydrophobicContact CD1-CE1 3.78Å; L139-Y157 HydrophobicContact CG-CE1 4.47Å; T155-Y157 HydrophobicContact CG2-CD2 4.21Å; T155-Y157 HydrophobicContact CG2-CE1 4.33Å; T155-Y157 HydrophobicContact CG2-CE2 3.48Å; T155-Y157 VanDerWaalsContact CG2-CE2 3.48Å
158Y98.8Very high97.2Very high14 Ų1445.8 Ų45.86%0.05526%0.257CS..EExtended strand (participates in β ladder)trans-112.2141.8162.5170.9-104.9000109.3L48 Y50 H138 E160 W217 F218 I222L48-Y158 HydrophobicContact CB-CD2 4.35Å; L48-Y158 HydrophobicContact CD2-CD2 3.94Å; L48-Y158 HydrophobicContact CD2-CE2 4.5Å; L48-Y158 HydrophobicContact CG-CD2 4.13Å; L48-Y158 WeakPolarHBondContact O-CA 3.44Å; L48-Y158 WeakPolarHBondContact O-CD2 3.39Å; Y50-Y158 WeakPolarHBondContact CD1-OH 3.31Å; H138-Y158 HydrophobicContact CB-CD1 4.28Å; H138-Y158 PolarHBondContact N-O 2.92Å; H138-Y158 PolarHBondContact O-N 3.48Å; Y158-E160 HydrophobicContact CE1-CG 3.89Å; Y158-E160 WeakPolarHBondContact OH-CG 3.48Å; Y158-E160 PolarHBondContact OH-OE1 3.21Å; Y158-W217 HydrophobicContact CD1-CH2 4Å; Y158-W217 HydrophobicContact CD1-CZ3 4.23Å; Y158-W217 HydrophobicContact CD2-CH2 4.36Å; Y158-W217 AromaticContact CD2-CZ3 3.76Å; Y158-W217 HydrophobicContact CD2-CZ3 3.76Å; Y158-W217 HydrophobicContact CE2-CZ3 4.41Å; Y158-W217 AromaticContact CG-CH2 3.78Å; Y158-W217 HydrophobicContact CG-CH2 3.78Å; Y158-W217 AromaticContact CG-CZ3 3.62Å; Y158-W217 HydrophobicContact CG-CZ3 3.62Å; Y158-F218 AromaticContact CE2-CD2 4Å; Y158-F218 HydrophobicContact CE2-CD2 4Å; Y158-F218 HydrophobicContact CE2-CE2 4.05Å; Y158-I222 HydrophobicContact CD1-CD1 4.42Å; Y158-I222 HydrophobicContact CE1-CD1 3.87Å; Y158-I222 HydrophobicContact CE1-CG1 4.29Å; Y158-I222 HydrophobicContact CE2-CG1 4.18Å
159A98.7Very high97.1Very high0 Ų052.2 Ų52.20%028%0.281CS..EExtended strand (participates in β ladder)trans-146.1151.8166.400000111.1L48 L49 Y50 I132 L137L48-A159 PolarHBondContact O-N 2.72Å; L49-A159 WeakPolarHBondContact CA-O 3.44Å; L49-A159 HydrophobicContact CD2-CB 4.03Å; Y50-A159 PolarHBondContact N-O 3.11Å; I132-A159 HydrophobicContact CD1-CB 4.04Å; L137-A159 HydrophobicContact CD2-CB 3.92Å
160E98.3Very high97.1Very high74 Ų7449.4 Ų49.435%0.34627%0.271SS..EExtended strand (participates in β ladder)trans-93.5142.5166.9-65.5-173.2-16300110Y50 Y158Y50-E160 HydrophobicContact CD1-CG 4.16Å; Y50-E160 CarbonylContact O-C 3.51Å; Y50-E160 VanDerWaalsContact O-CA 3.27Å; Y50-E160 WeakPolarHBondContact O-CA 3.32Å; Y158-E160 HydrophobicContact CE1-CG 3.89Å; Y158-E160 WeakPolarHBondContact OH-CG 3.48Å; Y158-E160 PolarHBondContact OH-OE1 3.21Å
161V98.3Very high97.2Very high0 Ų050 Ų500%028%0.279CS..EExtended strand (participates in β ladder)trans-122.4147.4175.1-66.40000110L49 Y50 H51 L58 Y130 I132L49-V161 HydrophobicContact CD2-CG1 3.91Å; Y50-V161 PolarHBondContact O-N 2.99Å; H51-V161 WeakPolarHBondContact CA-O 3.45Å; H51-V161 HydrophobicContact CB-CG2 3.89Å; H51-V161 PolarHBondContact ND1-O 3.17Å; L58-V161 HydrophobicContact CD1-CG2 3.66Å; L58-V161 HydrophobicContact CG-CG2 4.22Å; Y130-V161 HydrophobicContact CD1-CB 3.82Å; Y130-V161 HydrophobicContact CD1-CG1 4.27Å; Y130-V161 HydrophobicContact CD1-CG2 4.36Å; Y130-V161 HydrophobicContact CE1-CB 4.21Å; Y130-V161 HydrophobicContact CE1-CG2 4.33Å; Y130-V161 HydrophobicContact CG-CB 4.12Å; Y130-V161 HydrophobicContact CG-CG1 4.1Å; I132-V161 HydrophobicContact CG2-CG1 3.77Å
162H97.5Very high97.2Very high62 Ų6249 Ų4929%0.28727%0.269SS..  trans-125156.6-178.8-61-63.6000110.7S52 E53 N164 Q165S52-H162 PolarHBondContact OG-CE1 3.46Å; S52-H162 PolarHBondContact OG-ND1 3.14Å; E53-H162 VanDerWaalsContact OE1-CA 3.3Å; E53-H162 WeakPolarHBondContact OE1-CA 3.37Å; E53-H162 WeakPolarHBondContact OE1-CB 3.33Å; E53-H162 IonicContact OE1-CG 3.81Å; E53-H162 IonicContact OE1-ND1 2.69Å; E53-H162 IonicContact OE2-ND1 3.86Å; E53-H162 PolarHBondContact OE2-ND1 2.94Å; H162-N164 WeakPolarHBondContact CB-OD1 3.16Å; H162-N164 PolarHBondContact O-N 3.43Å; H162-Q165 WeakPolarHBondContact O-CB 3.34Å; H162-Q165 PolarHBondContact O-N 3.18Å
163E96.5Very high97Very high95 Ų9549 Ų4944%0.44427%0.271SS..G310 helixtrans-61.7-33-175.8-169.265-137.700111.4H51 E53 K54 Q165 K166H51-E163 IonicContact NE2-OE2 3.51Å; H51-E163 PolarHBondContact NE2-OE2 3.17Å; E53-E163 PolarHBondContact OE1-N 2.82Å; K54-E163 WeakPolarHBondContact CE-OE2 3.47Å; K54-E163 IonicContact NZ-OE2 2.72Å; K54-E163 PolarHBondContact NZ-OE2 3.15Å; E163-Q165 PolarHBondContact O-N 3.23Å; E163-K166 WeakPolarHBondContact O-CB 3.49Å; E163-K166 PolarHBondContact O-N 3.28Å; E163-K166 VanDerWaalsContact O-N 3.14Å
164N97Very high96.7Very high144 Ų14448.5 Ų48.577%0.7727%0.271SS*.G310 helixtrans-69.4-11.9177.170.2-4.4000114.4H162H162-N164 WeakPolarHBondContact CB-OD1 3.16Å; H162-N164 PolarHBondContact O-N 3.43Å
165Q97.9Very high96.2Very high45 Ų4554 Ų5421%0.2130%0.295CS..G310 helixtrans-93-8.5175.1-68.5169-46.700112.3Y130 K131 H162 E163 V167Y130-Q165 WeakPolarHBondContact CA-O 3.44Å; Y130-Q165 HydrophobicContact CD1-CB 4.19Å; K131-Q165 PolarHBondContact N-O 3.22Å; K131-Q165 WeakPolarHBondContact O-CG 3.26Å; H162-Q165 WeakPolarHBondContact O-CB 3.34Å; H162-Q165 PolarHBondContact O-N 3.18Å; E163-Q165 PolarHBondContact O-N 3.23Å; Q165-V167 PolarHBondContact O-N 2.81Å
166K98.1Very high95.6Very high71 Ų7161.6 Ų61.631%0.30933%0.33SS..BIsolated β-bridgetrans-66.1125.4177-171.875-165179.70109.7C128 G129 Y130 E163C128-K166 PolarHBondContact O-NZ 2.85Å; G129-K166 WeakPolarHBondContact O-CD 3.32Å; Y130-K166 HydrophobicContact CD1-CB 4.16Å; Y130-K166 HydrophobicContact CD1-CD 4.22Å; Y130-K166 HydrophobicContact CD2-CD 4.02Å; Y130-K166 HydrophobicContact CE1-CB 3.83Å; Y130-K166 HydrophobicContact CE1-CD 3.79Å; Y130-K166 HydrophobicContact CE1-CG 4.41Å; Y130-K166 HydrophobicContact CE2-CD 3.54Å; Y130-K166 HydrophobicContact CG-CD 4.33Å; Y130-K166 VanDerWaalsContact CZ-CD 3.43Å; E163-K166 WeakPolarHBondContact O-CB 3.49Å; E163-K166 PolarHBondContact O-N 3.28Å; E163-K166 VanDerWaalsContact O-N 3.14Å
167V97.9Very high94.9Very high48 Ų4868 Ų6829%0.29136%0.36SS..PPolyproline II helixtrans-95.4122.7176.8179.20000109L125 G129 K131 Q165 N169 A170L125-V167 HydrophobicContact CD1-CB 4Å; L125-V167 HydrophobicContact CD1-CG2 3.76Å; G129-V167 PolarHBondContact O-N 3.47Å; K131-V167 HydrophobicContact CB-CG2 3.87Å; Q165-V167 PolarHBondContact O-N 2.81Å; V167-N169 PolarHBondContact O-N 2.96Å; V167-A170 HydrophobicContact CB-CB 3.78Å; V167-A170 HydrophobicContact CG1-CB 3.82Å; V167-A170 PolarHBondContact O-N 3Å
168P95.1Very high94.3Very high107 Ų10769.5 Ų69.570%0.69538%0.382SS*.THydrogen-bonded Turntrans-57.6135.2177.7-25.934.8000112.1A170P168-A170 PolarHBondContact O-N 2.53Å
169N92.8Very high93.7Very high176 Ų17671 Ų7194%0.94139%0.389SS*.THydrogen-bonded Turntrans62.311.6-179.6-46.1-50.3000115.8V167V167-N169 PolarHBondContact O-N 2.96Å
170A95.3Very high93.4Very high32 Ų3276 Ų7626%0.26441%0.409SS..  trans-96.9166.8170.500000111.5L125 V167 P168L125-A170 HydrophobicContact CD1-CB 3.96Å; V167-A170 HydrophobicContact CB-CB 3.78Å; V167-A170 HydrophobicContact CG1-CB 3.82Å; V167-A170 PolarHBondContact O-N 3Å; P168-A170 PolarHBondContact O-N 2.53Å
171G96Very high93.2Very high29 Ų2973.2 Ų73.230%0.29940%0.396SS..  trans92.3166.4-171.800000112.2L125 E126 E127L125-G171 PolarHBondContact O-N 3.29Å; E126-G171 CarbonylContact O-C 3.55Å; E126-G171 WeakPolarHBondContact O-CA 3.33Å; E127-G171 WeakPolarHBondContact O-CA 3.36Å
172G94.8Very high93.1Very high14 Ų1476.8 Ų76.814%0.14441%0.412CS..SBendtrans97.6-1.1177.200000115.7E126 E127 I181E126-G172 PolarHBondContact O-N 2.8Å; E127-G172 PolarHBondContact O-N 2.78Å; G172-I181 WeakPolarHBondContact CA-O 3.28Å; G172-I181 WeakPolarHBondContact O-CB 3.25Å; G172-I181 PolarHBondContact O-N 2.93Å
173G92.9Very high93.1Very high14 Ų1476.1 Ų76.114%0.14441%0.413CS..  trans78.5179.1-178.800000113E126 E179E126-G173 PolarHBondContact O-N 2.92Å; G173-E179 WeakPolarHBondContact CA-OE2 3.48Å
174L90.1Very high93.1Very high54 Ų5473.1 Ų73.128%0.28340%0.399SS..  trans-89.6107.4177-68.9171.9000111.5E126 E176 E177 G178 E179E126-L174 VanDerWaalsContact CD-CG 3.49Å; E126-L174 HydrophobicContact CG-CG 4.08Å; E126-L174 VanDerWaalsContact OE1-CD1 3.3Å; E126-L174 WeakPolarHBondContact OE1-CD1 3.49Å; E126-L174 VanDerWaalsContact OE1-CG 3.24Å; E126-L174 WeakPolarHBondContact OE1-CG 3.08Å; L174-E176 HydrophobicContact CB-CG 4.29Å; L174-E176 PolarHBondContact O-N 2.88Å; L174-E176 VanDerWaalsContact O-N 3.15Å; L174-E177 HydrophobicContact CB-CB 4.16Å; L174-E177 HydrophobicContact CB-CG 3.85Å; L174-E177 HydrophobicContact CD1-CG 4.26Å; L174-E177 WeakPolarHBondContact O-CA 3.28Å; L174-E177 PolarHBondContact O-N 2.96Å; L174-G178 PolarHBondContact O-N 2.88Å; L174-E179 PolarHBondContact N-OE2 2.9Å; L174-E179 VanDerWaalsContact N-OE2 3.17Å; L174-E179 WeakPolarHBondContact O-CB 3.31Å; L174-E179 PolarHBondContact O-N 2.88Å
175H87.2Confident93.1Very high122 Ų12270.7 Ų70.757%0.56538%0.383SS*.G310 helixtrans-58.8-29.5177.7-73.6-174.4000113.5E177 G178 E179 Y180H175-E177 PolarHBondContact O-N 3.49Å; H175-G178 PolarHBondContact O-N 3.09Å; H175-G178 VanDerWaalsContact O-N 3.09Å; H175-E179 PolarHBondContact CD2-O 3.08Å; H175-E179 VanDerWaalsContact CD2-O 3.23Å; H175-Y180 HydrophobicContact CB-CE1 4.4Å; H175-Y180 AromaticContact CD2-CD1 3.65Å; H175-Y180 AromaticContact CD2-CE1 3.82Å; H175-Y180 AromaticContact CG-CE1 3.86Å; H175-Y180 AromaticContact NE2-CD1 3.64Å; H175-Y180 AromaticContact NE2-CE1 3.98Å
176E87.1Confident93.1Very high173 Ų17369.9 Ų69.981%0.80838%0.378SS*.G310 helixtrans-68.7-24.217660.8-174-179.100113.2L174 G178L174-E176 HydrophobicContact CB-CG 4.29Å; L174-E176 PolarHBondContact O-N 2.88Å; L174-E176 VanDerWaalsContact O-N 3.15Å; E176-G178 VanDerWaalsContact C-N 3.27Å
177E84.7Confident93.1Very high135 Ų13568.5 Ų68.563%0.63138%0.377SS*.G310 helixtrans-88.42.5172.3-55.6-158.5170.300112.3L174 H175 E179L174-E177 HydrophobicContact CB-CB 4.16Å; L174-E177 HydrophobicContact CB-CG 3.85Å; L174-E177 HydrophobicContact CD1-CG 4.26Å; L174-E177 WeakPolarHBondContact O-CA 3.28Å; L174-E177 PolarHBondContact O-N 2.96Å; H175-E177 PolarHBondContact O-N 3.49Å; E177-E179 VanDerWaalsContact C-N 3.27Å; E177-E179 HydrophobicContact CB-CG 4.23Å
178G85.1Confident93.1Very high51 Ų5167.2 Ų67.253%0.52637%0.369SS..THydrogen-bonded Turntrans7813.9-177.800000113.4L174 H175 E176 Y180L174-G178 PolarHBondContact O-N 2.88Å; H175-G178 PolarHBondContact O-N 3.09Å; H175-G178 VanDerWaalsContact O-N 3.09Å; E176-G178 VanDerWaalsContact C-N 3.27Å; G178-Y180 VanDerWaalsContact O-CD2 3.25Å; G178-Y180 WeakPolarHBondContact O-CD2 3.4Å
179E87.2Confident93.1Very high44 Ų4467.5 Ų67.521%0.20637%0.374CS..  trans-81.3138.3175.9-57.9-167.4147.700111G173 L174 H175 E177 I181G173-E179 WeakPolarHBondContact CA-OE2 3.48Å; L174-E179 PolarHBondContact N-OE2 2.9Å; L174-E179 VanDerWaalsContact N-OE2 3.17Å; L174-E179 WeakPolarHBondContact O-CB 3.31Å; L174-E179 PolarHBondContact O-N 2.88Å; H175-E179 PolarHBondContact CD2-O 3.08Å; H175-E179 VanDerWaalsContact CD2-O 3.23Å; E177-E179 VanDerWaalsContact C-N 3.27Å; E177-E179 HydrophobicContact CB-CG 4.23Å; E179-I181 HydrophobicContact CB-CD1 4.3Å; E179-I181 HydrophobicContact CB-CG1 4.3Å
180Y91.1Very high93.2Very high106 Ų10664.3 Ų64.342%0.41635%0.348SS..  trans-145.882.2177.6-64.7-83.3000108.2R3 H175 G178R3-Y180 VanDerWaalsContact CZ-CG 3.46Å; R3-Y180 VanDerWaalsContact NH1-CE2 3.33Å; R3-Y180 VanDerWaalsContact NH2-CB 3.26Å; H175-Y180 HydrophobicContact CB-CE1 4.4Å; H175-Y180 AromaticContact CD2-CD1 3.65Å; H175-Y180 AromaticContact CD2-CE1 3.82Å; H175-Y180 AromaticContact CG-CE1 3.86Å; H175-Y180 AromaticContact NE2-CD1 3.64Å; H175-Y180 AromaticContact NE2-CE1 3.98Å; G178-Y180 VanDerWaalsContact O-CD2 3.25Å; G178-Y180 WeakPolarHBondContact O-CD2 3.4Å
181I95.4Very high93.2Very high15 Ų1563 Ų638%0.07734%0.337CS..  trans-98.5132.1-166.8-57.7176.7000109.2V60 Q62 E127 G172 E179V60-I181 HydrophobicContact CB-CG2 3.57Å; V60-I181 HydrophobicContact CG1-CG2 3.81Å; V60-I181 HydrophobicContact CG2-CG2 4.43Å; Q62-I181 HydrophobicContact CB-CG1 4.16Å; E127-I181 HydrophobicContact CB-CD1 4.17Å; E127-I181 HydrophobicContact CG-CD1 3.62Å; E127-I181 WeakPolarHBondContact OE1-CD1 3.49Å; G172-I181 WeakPolarHBondContact CA-O 3.28Å; G172-I181 WeakPolarHBondContact O-CB 3.25Å; G172-I181 PolarHBondContact O-N 2.93Å; E179-I181 HydrophobicContact CB-CD1 4.3Å; E179-I181 HydrophobicContact CB-CG1 4.3Å
182E95.9Very high93.1Very high75 Ų7566.2 Ų66.235%0.3534%0.344SS..EExtended strand (participates in β ladder)trans-104.4118.5173.9-170.9-176.5137.200108.6M1 V60 K61 I184M1-E182 PolarHBondContact N-OE2 3.03Å; V60-E182 CarbonylContact C-O 3.49Å; V60-E182 WeakPolarHBondContact CA-O 3.21Å; K61-E182 HydrophobicContact CB-CB 4.36Å; K61-E182 WeakPolarHBondContact CE-OE2 3.4Å; K61-E182 PolarHBondContact N-O 3.11Å; K61-E182 IonicContact NZ-OE1 3Å; K61-E182 PolarHBondContact NZ-OE1 2.78Å; K61-E182 IonicContact NZ-OE2 3.88Å; K61-E182 PolarHBondContact NZ-OE2 3.12Å; K61-E182 PolarHBondContact O-N 2.79Å; E182-I184 HydrophobicContact CB-CD1 4.45Å; E182-I184 HydrophobicContact CG-CD1 3.84Å; E182-I184 PolarHBondContact O-N 3.46Å; E182-I184 VanDerWaalsContact OE1-CD1 3.27Å; E182-I184 WeakPolarHBondContact OE1-CD1 3.43Å
183V97Very high93.1Very high48 Ų4868.2 Ų68.229%0.29135%0.35SS..EExtended strand (participates in β ladder)trans-75.7125174.4-1760000109.1L58 E127L58-V183 HydrophobicContact CB-CG1 4.48Å; E127-V183 VanDerWaalsContact O-CG2 3.23Å; E127-V183 WeakPolarHBondContact O-CG2 3.32Å
184I97Very high93.2Very high32 Ų3267.7 Ų67.716%0.16434%0.344CS..EExtended strand (participates in β ladder)trans-111.2114.4-179.6-52.9-59.5000108.8L59 K61 L102 E182 W186L59-I184 HydrophobicContact CB-CB 4.43Å; L59-I184 PolarHBondContact N-O 3.02Å; L59-I184 PolarHBondContact O-N 3.39Å; K61-I184 HydrophobicContact CB-CD1 4.23Å; K61-I184 HydrophobicContact CB-CG1 3.86Å; L102-I184 HydrophobicContact CD1-CB 4.25Å; L102-I184 HydrophobicContact CD1-CG1 4.02Å; L102-I184 HydrophobicContact CD1-CG2 4.5Å; E182-I184 HydrophobicContact CB-CD1 4.45Å; E182-I184 HydrophobicContact CG-CD1 3.84Å; E182-I184 PolarHBondContact O-N 3.46Å; E182-I184 VanDerWaalsContact OE1-CD1 3.27Å; E182-I184 WeakPolarHBondContact OE1-CD1 3.43Å; I184-W186 HydrophobicContact CG2-CE3 4.06Å; I184-W186 PolarHBondContact O-N 3.15Å
185E97.4Very high93.3Very high93 Ų9368.3 Ų68.344%0.43534%0.344SS..EExtended strand (participates in β ladder)trans-78.1100168-61.4-173.3167.500108.8K54 L58 P187K54-E185 WeakPolarHBondContact CD-OE1 3.49Å; K54-E185 WeakPolarHBondContact CD-OE2 3.37Å; K54-E185 IonicContact NZ-OE1 3.38Å; K54-E185 PolarHBondContact NZ-OE1 3.04Å; L58-E185 HydrophobicContact CD2-CB 4.38Å; L58-E185 HydrophobicContact CD2-CG 3.68Å; E185-P187 WeakPolarHBondContact O-CD 3.4Å
186W97.5Very high93.4Very high28 Ų2865.8 Ų65.811%0.10633%0.333CS..EExtended strand (participates in β ladder)trans-91.2111.8-179-164.4-86.5000110.9S56 L57 L59 L102 I184 V188 R190 E193 L194S56-W186 CarbonylContact C-O 3.57Å; S56-W186 WeakPolarHBondContact CA-O 3.41Å; S56-W186 WeakPolarHBondContact CB-O 3.42Å; L57-W186 HydrophobicContact CB-CB 4.49Å; L57-W186 PolarHBondContact N-O 2.93Å; L57-W186 PolarHBondContact O-N 3.26Å; L59-W186 HydrophobicContact CD1-CB 3.79Å; L59-W186 HydrophobicContact CD1-CD2 4.29Å; L59-W186 HydrophobicContact CD1-CE3 4.46Å; L59-W186 HydrophobicContact CD1-CG 4.02Å; L59-W186 HydrophobicContact CG-CB 4.13Å; L102-W186 HydrophobicContact CD2-CE3 4.04Å; L102-W186 HydrophobicContact CD2-CH2 4.47Å; L102-W186 HydrophobicContact CD2-CZ3 3.9Å; I184-W186 HydrophobicContact CG2-CE3 4.06Å; I184-W186 PolarHBondContact O-N 3.15Å; W186-V188 PolarHBondContact O-N 3.48Å; W186-R190 PolarHBondContact NE1-O 3.11Å; W186-E193 HydrophobicContact CZ2-CB 3.87Å; W186-L194 HydrophobicContact CD2-CD2 3.86Å; W186-L194 HydrophobicContact CD2-CG 4.34Å; W186-L194 HydrophobicContact CE3-CD2 4.22Å; W186-L194 HydrophobicContact CG-CD1 4.46Å; W186-L194 HydrophobicContact CG-CD2 4.42Å; W186-L194 HydrophobicContact CH2-CD2 4.03Å; W186-L194 HydrophobicContact CZ2-CD2 3.64Å; W186-L194 HydrophobicContact CZ2-CG 3.94Å; W186-L194 HydrophobicContact CZ3-CD2 4.3Å
187P97.4Very high93.4Very high43 Ų4361.8 Ų61.828%0.27931%0.311SS..EExtended strand (participates in β ladder)trans-60.1134.8-178.8-23.334.9000111.4E185 S189 R190E185-P187 WeakPolarHBondContact O-CD 3.4Å; P187-S189 PolarHBondContact O-N 3.14Å; P187-S189 VanDerWaalsContact O-N 3.16Å; P187-R190 HydrophobicContact CB-CG 4.42Å; P187-R190 PolarHBondContact O-N 3.09Å
188V97.3Very high93.4Very high20 Ų2058.9 Ų58.912%0.12132%0.317CS..G310 helixtrans-59-30.1177169.90000111.5Y50 K55 L57 W186 R190 I191 F218 L223Y50-V188 HydrophobicContact CD2-CG2 4.27Å; Y50-V188 HydrophobicContact CE2-CG2 3.79Å; K55-V188 WeakPolarHBondContact O-CG2 3.48Å; K55-V188 PolarHBondContact O-N 3.31Å; L57-V188 HydrophobicContact CG-CG2 4.44Å; W186-V188 PolarHBondContact O-N 3.48Å; V188-R190 PolarHBondContact O-N 2.94Å; V188-R190 VanDerWaalsContact O-N 3.15Å; V188-I191 VanDerWaalsContact O-CB 3.29Å; V188-I191 WeakPolarHBondContact O-CB 3.27Å; V188-I191 VanDerWaalsContact O-CG2 3.31Å; V188-I191 WeakPolarHBondContact O-CG2 3.43Å; V188-I191 PolarHBondContact O-N 3.29Å; V188-I191 VanDerWaalsContact O-N 3.16Å; V188-F218 HydrophobicContact CG1-CE1 4.34Å; V188-F218 HydrophobicContact CG2-CE1 4.19Å; V188-F218 HydrophobicContact CG2-CZ 4.26Å; V188-L223 HydrophobicContact CG1-CD1 3.44Å; V188-L223 VanDerWaalsContact CG1-CD1 3.44Å
189S96.2Very high93.4Very high114 Ų11462 Ų6280%0.79733%0.326SS*.G310 helixtrans-62-18.6174.256.30000114.3P187P187-S189 PolarHBondContact O-N 3.14Å; P187-S189 VanDerWaalsContact O-N 3.16Å
190R95Very high93.1Very high108 Ų10861.9 Ų61.941%0.40833%0.33SS..G310 helixtrans-109.113.3179.9-64179.461.4-154.8-7.1112.4W186 P187 V188 E192 E193W186-R190 PolarHBondContact NE1-O 3.11Å; P187-R190 HydrophobicContact CB-CG 4.42Å; P187-R190 PolarHBondContact O-N 3.09Å; V188-R190 PolarHBondContact O-N 2.94Å; V188-R190 VanDerWaalsContact O-N 3.15Å; R190-E192 PolarHBondContact O-N 3.43Å; R190-E193 WeakPolarHBondContact CB-OE1 3.37Å; R190-E193 VanDerWaalsContact CG-OE1 3.26Å; R190-E193 WeakPolarHBondContact CG-OE1 3.33Å; R190-E193 IonicContact CZ-OE1 2.81Å; R190-E193 IonicContact CZ-OE2 2.85Å; R190-E193 IonicContact NE-OE1 2.79Å; R190-E193 PolarHBondContact NE-OE1 2.94Å; R190-E193 IonicContact NE-OE2 2.9Å; R190-E193 PolarHBondContact NE-OE2 3.08Å; R190-E193 IonicContact NH2-OE1 2.85Å; R190-E193 IonicContact NH2-OE2 3.88Å; R190-E193 PolarHBondContact NH2-OE2 3.08Å; R190-E193 WeakPolarHBondContact O-CB 3.3Å; R190-E193 PolarHBondContact O-N 3.15Å
191I95.6Very high92.4Very high5 Ų563 Ų633%0.02635%0.353CS..G310 helixtrans-61.2-31.2-172.4-160168.8000113.3L57 V188 E193 L194 I215 F218 K219L57-I191 HydrophobicContact CD1-CD1 3.8Å; L57-I191 HydrophobicContact CD1-CG1 4.25Å; V188-I191 VanDerWaalsContact O-CB 3.29Å; V188-I191 WeakPolarHBondContact O-CB 3.27Å; V188-I191 VanDerWaalsContact O-CG2 3.31Å; V188-I191 WeakPolarHBondContact O-CG2 3.43Å; V188-I191 PolarHBondContact O-N 3.29Å; V188-I191 VanDerWaalsContact O-N 3.16Å; I191-E193 PolarHBondContact O-N 3.07Å; I191-L194 HydrophobicContact CG1-CD1 4.27Å; I191-L194 WeakPolarHBondContact O-CB 3.49Å; I191-L194 PolarHBondContact O-N 3.23Å; I191-I215 HydrophobicContact CD1-CD1 4.24Å; I191-I215 HydrophobicContact CD1-CG2 3.72Å; I191-I215 HydrophobicContact CG1-CD1 4.24Å; I191-I215 HydrophobicContact CG1-CG2 3.54Å; I191-F218 HydrophobicContact CD1-CD1 3.79Å; I191-F218 HydrophobicContact CD1-CE1 4.23Å; I191-K219 HydrophobicContact CD1-CG 4.12Å
192E93.9Very high91.4Very high96 Ų9666.1 Ų66.145%0.44937%0.373SS..G310 helixtrans-67.4-24.4178.1-58.2-54.4147.900113.1R190 L194 F195 K219R190-E192 PolarHBondContact O-N 3.43Å; E192-L194 PolarHBondContact O-N 3.13Å; E192-F195 PolarHBondContact O-N 2.91Å; E192-K219 WeakPolarHBondContact OE1-CE 3.36Å; E192-K219 IonicContact OE1-NZ 3.15Å; E192-K219 PolarHBondContact OE1-NZ 3.07Å; E192-K219 IonicContact OE2-NZ 3.36Å; E192-K219 PolarHBondContact OE2-NZ 3.28Å
193E93.9Very high90Very high56 Ų5670.1 Ų70.126%0.26239%0.391SS..G310 helixtrans-64.4-24.4177.9-68.1174.6-139.200111.8W186 R190 I191 F195 Q196 Q204W186-E193 HydrophobicContact CZ2-CB 3.87Å; R190-E193 WeakPolarHBondContact CB-OE1 3.37Å; R190-E193 VanDerWaalsContact CG-OE1 3.26Å; R190-E193 WeakPolarHBondContact CG-OE1 3.33Å; R190-E193 IonicContact CZ-OE1 2.81Å; R190-E193 IonicContact CZ-OE2 2.85Å; R190-E193 IonicContact NE-OE1 2.79Å; R190-E193 PolarHBondContact NE-OE1 2.94Å; R190-E193 IonicContact NE-OE2 2.9Å; R190-E193 PolarHBondContact NE-OE2 3.08Å; R190-E193 IonicContact NH2-OE1 2.85Å; R190-E193 IonicContact NH2-OE2 3.88Å; R190-E193 PolarHBondContact NH2-OE2 3.08Å; R190-E193 WeakPolarHBondContact O-CB 3.3Å; R190-E193 PolarHBondContact O-N 3.15Å; I191-E193 PolarHBondContact O-N 3.07Å; E193-F195 PolarHBondContact O-N 2.87Å; E193-Q196 WeakPolarHBondContact O-CB 3.32Å; E193-Q196 PolarHBondContact O-N 3.11Å; E193-Q196 VanDerWaalsContact O-N 3.17Å; E193-Q204 PolarHBondContact O-NE2 2.88Å; E193-Q204 PolarHBondContact O-OE1 2.92Å; E193-Q204 VanDerWaalsContact O-OE1 3.14Å
194L94.5Very high89.1Confident4 Ų469.2 Ų69.22%0.02138%0.384CS..G310 helixtrans-64.7-20.8179-65.7171.8000113.5L59 L102 W186 I191 E192 L212 I215L59-L194 HydrophobicContact CD1-CD1 4.07Å; L59-L194 HydrophobicContact CD1-CD2 3.84Å; L102-L194 HydrophobicContact CD2-CD2 3.36Å; W186-L194 HydrophobicContact CD2-CD2 3.86Å; W186-L194 HydrophobicContact CD2-CG 4.34Å; W186-L194 HydrophobicContact CE3-CD2 4.22Å; W186-L194 HydrophobicContact CG-CD1 4.46Å; W186-L194 HydrophobicContact CG-CD2 4.42Å; W186-L194 HydrophobicContact CH2-CD2 4.03Å; W186-L194 HydrophobicContact CZ2-CD2 3.64Å; W186-L194 HydrophobicContact CZ2-CG 3.94Å; W186-L194 HydrophobicContact CZ3-CD2 4.3Å; I191-L194 HydrophobicContact CG1-CD1 4.27Å; I191-L194 WeakPolarHBondContact O-CB 3.49Å; I191-L194 PolarHBondContact O-N 3.23Å; E192-L194 PolarHBondContact O-N 3.13Å; L194-L212 WeakPolarHBondContact O-CD2 3.26Å; L194-I215 HydrophobicContact CD1-CD1 3.7Å; L194-I215 HydrophobicContact CD1-CG1 3.8Å
195F93.1Very high88.5Confident67 Ų6770.5 Ų70.529%0.29439%0.389SS..G310 helixtrans-92.22.5179.6-64.6-87.3000113.4E192 E193 L212 I215 M216E192-F195 PolarHBondContact O-N 2.91Å; E193-F195 PolarHBondContact O-N 2.87Å; F195-L212 HydrophobicContact CD1-CD2 3.79Å; F195-L212 HydrophobicContact CE1-CB 4.06Å; F195-L212 HydrophobicContact CE1-CD2 3.85Å; F195-L212 HydrophobicContact CE1-CG 4.44Å; F195-L212 HydrophobicContact CG-CD2 4.33Å; F195-L212 HydrophobicContact CZ-CD2 4.44Å; F195-I215 HydrophobicContact CE2-CB 4.27Å; F195-I215 HydrophobicContact CE2-CG2 3.44Å; F195-I215 VanDerWaalsContact CE2-CG2 3.44Å; F195-I215 HydrophobicContact CZ-CB 3.98Å; F195-I215 HydrophobicContact CZ-CG2 3.58Å; F195-M216 HydrophobicContact CE1-CG 4.04Å; F195-M216 HydrophobicContact CZ-CG 3.92Å
196Q90.3Very high88.3Confident68 Ų6866.8 Ų66.832%0.31837%0.373SS..  trans-96.52.6-169.7-62.8176.75.200114E193 G198 T199 S200 Q204E193-Q196 WeakPolarHBondContact O-CB 3.32Å; E193-Q196 PolarHBondContact O-N 3.11Å; E193-Q196 VanDerWaalsContact O-N 3.17Å; Q196-G198 PolarHBondContact O-N 2.94Å; Q196-G198 VanDerWaalsContact O-N 3.12Å; Q196-T199 WeakPolarHBondContact CA-OG1 3.41Å; Q196-T199 PolarHBondContact O-N 3.31Å; Q196-T199 PolarHBondContact O-OG1 2.7Å; Q196-S200 PolarHBondContact O-N 2.78Å; Q196-Q204 VanDerWaalsContact CB-OE1 3.29Å; Q196-Q204 PolarHBondContact O-OE1 2.85Å
197Y85.8Confident88.1Confident90 Ų9067.1 Ų67.135%0.35338%0.378SS..THydrogen-bonded Turntrans-60.8118177.3175.4-100.1000110.8K71 T199 Q204 P206K71-Y197 WeakPolarHBondContact CE-OH 3.18Å; K71-Y197 PolarHBondContact NZ-OH 2.85Å; Y197-T199 VanDerWaalsContact C-N 3.29Å; Y197-T199 PolarHBondContact O-N 2.9Å; Y197-Q204 VanDerWaalsContact CD2-O 3.28Å; Y197-Q204 WeakPolarHBondContact CD2-O 3.28Å; Y197-Q204 WeakPolarHBondContact CE2-O 3Å; Y197-P206 HydrophobicContact CD2-CB 4.38Å; Y197-P206 HydrophobicContact CD2-CG 4.45Å; Y197-P206 HydrophobicContact CE1-CB 4.2Å; Y197-P206 HydrophobicContact CE2-CB 3.93Å; Y197-P206 HydrophobicContact CE2-CG 3.69Å
198G84.7Confident87.9Confident73 Ų7366.3 Ų66.375%0.75337%0.374SS*.THydrogen-bonded Turntrans81.6-2.8-179.100000115.3Q196Q196-G198 PolarHBondContact O-N 2.94Å; Q196-G198 VanDerWaalsContact O-N 3.12Å
199T85.5Confident87.7Confident117 Ų11772.5 Ų72.572%0.71841%0.405SS*.THydrogen-bonded Turntrans-114.2-24177.160.20000112.9Q196 Y197Q196-T199 WeakPolarHBondContact CA-OG1 3.41Å; Q196-T199 PolarHBondContact O-N 3.31Å; Q196-T199 PolarHBondContact O-OG1 2.7Å; Y197-T199 VanDerWaalsContact C-N 3.29Å; Y197-T199 PolarHBondContact O-N 2.9Å
200S81.7Confident87.6Confident42 Ų4268.2 Ų68.229%0.29438%0.376SS..SBendtrans-91.2153.7170.7178.50000112.3Q196 T202Q196-S200 PolarHBondContact O-N 2.78Å; S200-T202 PolarHBondContact OG-N 2.72Å; S200-T202 VanDerWaalsContact OG-N 3.11Å; S200-T202 PolarHBondContact OG-OG1 2.9Å
201S74.8Confident87.7Confident129 Ų12963.1 Ų63.190%0.90236%0.356SS*.SBendtrans-72.6-16.8169.955.80000113.1
202T74.1Confident87.8Confident80 Ų8064.9 Ų64.949%0.49137%0.366SS..SBendtrans-75.2133.6175.857.10000110.6S200 Q204S200-T202 PolarHBondContact OG-N 2.72Å; S200-T202 VanDerWaalsContact OG-N 3.11Å; S200-T202 PolarHBondContact OG-OG1 2.9Å; T202-Q204 PolarHBondContact O-N 3.31Å; T202-Q204 VanDerWaalsContact O-N 3.09Å
203H67Low88Confident159 Ų15964.2 Ų64.274%0.73636%0.36SS*.  trans-67.1110.2174.4-144.383.9000109.5
204Q78Confident88.2Confident29 Ų2961.6 Ų61.614%0.13635%0.347CS..  trans-112.6149.5174.9-73.6-177.5-18.700110.1E193 Q196 Y197 T202E193-Q204 PolarHBondContact O-NE2 2.88Å; E193-Q204 PolarHBondContact O-OE1 2.92Å; E193-Q204 VanDerWaalsContact O-OE1 3.14Å; Q196-Q204 VanDerWaalsContact CB-OE1 3.29Å; Q196-Q204 PolarHBondContact O-OE1 2.85Å; Y197-Q204 VanDerWaalsContact CD2-O 3.28Å; Y197-Q204 WeakPolarHBondContact CD2-O 3.28Å; Y197-Q204 WeakPolarHBondContact CE2-O 3Å; T202-Q204 PolarHBondContact O-N 3.31Å; T202-Q204 VanDerWaalsContact O-N 3.09Å
205Q85.9Confident88.4Confident59 Ų5961.4 Ų61.428%0.27635%0.346SS..  trans-62.6139.3171.6-6974.217.200109.5K61 L102K61-Q205 HydrophobicContact CD-CG 4.36Å; L102-Q205 HydrophobicContact CB-CB 4.28Å
206P92Very high88.7Confident16 Ų1663.7 Ų63.710%0.10436%0.359CS..  trans-55.9139.1168.3-16.326.3000111.1V67 E100 T101 L102 Y197V67-P206 HydrophobicContact CG1-CG 4.49Å; E100-P206 VanDerWaalsContact O-CD 3.31Å; E100-P206 WeakPolarHBondContact O-CD 3.39Å; T101-P206 WeakPolarHBondContact CA-O 3.21Å; T101-P206 HydrophobicContact CG2-CB 4.31Å; L102-P206 PolarHBondContact N-O 3.32Å; Y197-P206 HydrophobicContact CD2-CB 4.38Å; Y197-P206 HydrophobicContact CD2-CG 4.45Å; Y197-P206 HydrophobicContact CE1-CB 4.2Å; Y197-P206 HydrophobicContact CE2-CB 3.93Å; Y197-P206 HydrophobicContact CE2-CG 3.69Å
207T93.8Very high89.1Confident34 Ų3462 Ų6221%0.20935%0.35CS..BIsolated β-bridgetrans-105.3152.8175.749.80000111.2L102 L211L102-T207 HydrophobicContact CB-CG2 4.33Å; L102-T207 WeakPolarHBondContact O-CA 3.39Å; T207-L211 HydrophobicContact CG2-CD2 3.81Å
208S92.2Very high89.7Confident27 Ų2757.7 Ų57.719%0.18933%0.333CS..  trans-81.5156.1172.773.30000111.9L102 S210 L211 L212L102-S208 PolarHBondContact O-N 2.91Å; S208-S210 VanDerWaalsContact C-N 3.32Å; S208-S210 PolarHBondContact O-N 3.49Å; S208-S210 PolarHBondContact OG-OG 3.39Å; S208-S210 VanDerWaalsContact OG-OG 3.09Å; S208-L211 WeakPolarHBondContact O-CB 3.37Å; S208-L211 PolarHBondContact O-N 3.19Å; S208-L211 WeakPolarHBondContact OG-CB 3.41Å; S208-L211 PolarHBondContact OG-N 3.09Å; S208-L212 PolarHBondContact O-N 3.47Å
209L93.2Very high90.3Very high149 Ų14957.3 Ų57.378%0.7831%0.311SS*.Hα-helixtrans-62.5-39.4175.2178.761.4000112L211 L212 Y213L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 3.43Å; L209-L212 PolarHBondContact O-N 2.92Å; L209-Y213 PolarHBondContact O-N 3.4Å
210S95.5Very high90.8Very high25 Ų2558.9 Ų58.918%0.17531%0.31CS..Hα-helixtrans-62.4-39.2177.953.40000111.7S208 Y213 A214S208-S210 VanDerWaalsContact C-N 3.32Å; S208-S210 PolarHBondContact O-N 3.49Å; S208-S210 PolarHBondContact OG-OG 3.39Å; S208-S210 VanDerWaalsContact OG-OG 3.09Å; S210-Y213 PolarHBondContact O-N 3.01Å; S210-A214 WeakPolarHBondContact O-CB 3.46Å; S210-A214 PolarHBondContact O-N 2.91Å
211L97.5Very high91.6Very high0 Ų060.6 Ų60.60%032%0.316CS..Hα-helixtrans-58-55.6173173.858.3000110.5L59 L102 L104 T207 S208 L209 Y213 A214 I215L59-L211 HydrophobicContact CD1-CD1 4.28Å; L59-L211 HydrophobicContact CD1-CD2 4.45Å; L59-L211 HydrophobicContact CD2-CD1 3.54Å; L102-L211 HydrophobicContact CG-CD2 4.24Å; L102-L211 WeakPolarHBondContact O-CD2 3.38Å; L104-L211 HydrophobicContact CD2-CD1 3.61Å; L104-L211 HydrophobicContact CG-CB 4.19Å; L104-L211 HydrophobicContact CG-CD1 4.1Å; T207-L211 HydrophobicContact CG2-CD2 3.81Å; S208-L211 WeakPolarHBondContact O-CB 3.37Å; S208-L211 PolarHBondContact O-N 3.19Å; S208-L211 WeakPolarHBondContact OG-CB 3.41Å; S208-L211 PolarHBondContact OG-N 3.09Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 3.43Å; L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.36Å; L211-A214 PolarHBondContact O-N 3.08Å; L211-A214 VanDerWaalsContact O-N 3.12Å; L211-I215 HydrophobicContact CD1-CD1 4.01Å; L211-I215 HydrophobicContact CD1-CG1 3.81Å; L211-I215 HydrophobicContact CG-CG1 4.33Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.47Å; L211-I215 PolarHBondContact O-N 2.89Å
212L97Very high92.7Very high42 Ų4255.6 Ų55.622%0.2228%0.279CS..Hα-helixtrans-58.9-40.5-178-61-177.2000112.5L194 F195 S208 L209 I215 M216L194-L212 WeakPolarHBondContact O-CD2 3.26Å; F195-L212 HydrophobicContact CD1-CD2 3.79Å; F195-L212 HydrophobicContact CE1-CB 4.06Å; F195-L212 HydrophobicContact CE1-CD2 3.85Å; F195-L212 HydrophobicContact CE1-CG 4.44Å; F195-L212 HydrophobicContact CG-CD2 4.33Å; F195-L212 HydrophobicContact CZ-CD2 4.44Å; S208-L212 PolarHBondContact O-N 3.47Å; L209-L212 PolarHBondContact O-N 2.92Å; L212-I215 PolarHBondContact O-N 2.91Å; L212-M216 WeakPolarHBondContact O-CG 3.48Å; L212-M216 PolarHBondContact O-N 3.2Å
213Y98Very high93.7Very high83 Ų8353 Ų5333%0.32526%0.262SS..Hα-helixtrans-62.7-46.4174.8177.1-115.3000112.4I140 N141 F143 L156 L209 S210 L211 I215 M216 W217I140-Y213 HydrophobicContact CG2-CE1 4.23Å; N141-Y213 HydrophobicContact CB-CE1 4.16Å; N141-Y213 PolarHBondContact ND2-OH 3.2Å; F143-Y213 HydrophobicContact CD1-CE1 4.34Å; F143-Y213 HydrophobicContact CE1-CD1 4Å; F143-Y213 HydrophobicContact CE1-CE1 4.09Å; L156-Y213 HydrophobicContact CD2-CD1 3.63Å; L156-Y213 HydrophobicContact CD2-CE1 3.86Å; L209-Y213 PolarHBondContact O-N 3.4Å; S210-Y213 PolarHBondContact O-N 3.01Å; L211-Y213 VanDerWaalsContact C-N 3.29Å; L211-Y213 PolarHBondContact O-N 3.36Å; Y213-I215 VanDerWaalsContact C-N 3.31Å; Y213-I215 PolarHBondContact O-N 3.11Å; Y213-M216 PolarHBondContact O-N 3.3Å; Y213-W217 PolarHBondContact O-N 2.99Å
214A98.6Very high95.1Very high0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-62-39.4177.500000112L48 L104 L156 S210 L211 W217 F218L48-A214 HydrophobicContact CB-CB 4.17Å; L48-A214 HydrophobicContact CD1-CB 4.31Å; L48-A214 HydrophobicContact CD2-CB 4.23Å; L48-A214 HydrophobicContact CG-CB 4.47Å; L104-A214 HydrophobicContact CD1-CB 3.7Å; L104-A214 HydrophobicContact CD2-CB 4.17Å; L156-A214 HydrophobicContact CD1-CB 4.25Å; L156-A214 HydrophobicContact CD2-CB 4Å; S210-A214 WeakPolarHBondContact O-CB 3.46Å; S210-A214 PolarHBondContact O-N 2.91Å; L211-A214 PolarHBondContact O-N 3.08Å; L211-A214 VanDerWaalsContact O-N 3.12Å; A214-W217 PolarHBondContact O-N 2.93Å; A214-F218 WeakPolarHBondContact O-CB 3.43Å; A214-F218 PolarHBondContact O-N 2.78Å
215I98.1Very high95.7Very high0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-63.9-43.2175-63.9-55.8000111.4L48 L57 I191 L194 F195 L211 L212 Y213 W217 F218 K219L48-I215 HydrophobicContact CD1-CD1 4.31Å; L57-I215 HydrophobicContact CD1-CD1 3.25Å; I191-I215 HydrophobicContact CD1-CD1 4.24Å; I191-I215 HydrophobicContact CD1-CG2 3.72Å; I191-I215 HydrophobicContact CG1-CD1 4.24Å; I191-I215 HydrophobicContact CG1-CG2 3.54Å; L194-I215 HydrophobicContact CD1-CD1 3.7Å; L194-I215 HydrophobicContact CD1-CG1 3.8Å; F195-I215 HydrophobicContact CE2-CB 4.27Å; F195-I215 HydrophobicContact CE2-CG2 3.44Å; F195-I215 VanDerWaalsContact CE2-CG2 3.44Å; F195-I215 HydrophobicContact CZ-CB 3.98Å; F195-I215 HydrophobicContact CZ-CG2 3.58Å; L211-I215 HydrophobicContact CD1-CD1 4.01Å; L211-I215 HydrophobicContact CD1-CG1 3.81Å; L211-I215 HydrophobicContact CG-CG1 4.33Å; L211-I215 VanDerWaalsContact O-CG1 3.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.47Å; L211-I215 PolarHBondContact O-N 2.89Å; L212-I215 PolarHBondContact O-N 2.91Å; Y213-I215 VanDerWaalsContact C-N 3.31Å; Y213-I215 PolarHBondContact O-N 3.11Å; I215-W217 VanDerWaalsContact C-N 3.33Å; I215-W217 PolarHBondContact O-N 3.03Å; I215-F218 PolarHBondContact O-N 3.4Å; I215-K219 HydrophobicContact CG2-CD 4.11Å; I215-K219 HydrophobicContact CG2-CG 4.42Å; I215-K219 WeakPolarHBondContact O-CB 3.38Å; I215-K219 WeakPolarHBondContact O-CG 3.35Å; I215-K219 PolarHBondContact O-N 3.31Å
216M98.3Very high95.9Very high116 Ų11648.8 Ų48.857%0.57126%0.255SS*.Hα-helixtrans-60.8-44.1175.1-70.9178.370.300111.4F195 L212 Y213 K219 Q220F195-M216 HydrophobicContact CE1-CG 4.04Å; F195-M216 HydrophobicContact CZ-CG 3.92Å; L212-M216 WeakPolarHBondContact O-CG 3.48Å; L212-M216 PolarHBondContact O-N 3.2Å; Y213-M216 PolarHBondContact O-N 3.3Å; M216-K219 PolarHBondContact O-N 3.13Å; M216-Q220 PolarHBondContact O-N 2.82Å; M216-Q220 VanDerWaalsContact O-N 3.13Å
217W98.6Very high95.2Very high31 Ų3154.7 Ų54.712%0.11728%0.279CS..Hα-helixtrans-60.7-44.3174.7178.692.4000111.8L48 H138 I140 Y158 Y213 A214 I215 K219 Q220 N221 I222L48-W217 HydrophobicContact CD2-CE3 4.27Å; L48-W217 HydrophobicContact CD2-CZ3 4.47Å; H138-W217 AromaticContact CD2-CH2 3.82Å; H138-W217 AromaticContact CD2-CZ2 3.57Å; H138-W217 AromaticContact NE2-CZ2 3.7Å; I140-W217 HydrophobicContact CB-CD2 4.46Å; I140-W217 HydrophobicContact CD1-CD2 3.78Å; I140-W217 HydrophobicContact CD1-CE3 3.55Å; I140-W217 HydrophobicContact CD1-CG 4.35Å; I140-W217 HydrophobicContact CD1-CH2 4.4Å; I140-W217 HydrophobicContact CD1-CZ3 3.89Å; I140-W217 HydrophobicContact CG1-CD2 3.73Å; I140-W217 HydrophobicContact CG1-CE3 3.89Å; I140-W217 HydrophobicContact CG1-CG 4.33Å; I140-W217 HydrophobicContact CG1-CH2 4.05Å; I140-W217 HydrophobicContact CG1-CZ2 3.89Å; I140-W217 HydrophobicContact CG1-CZ3 4.05Å; I140-W217 HydrophobicContact CG2-CB 4.25Å; I140-W217 VanDerWaalsContact CG2-CD1 3.49Å; I140-W217 HydrophobicContact CG2-CD2 3.97Å; I140-W217 HydrophobicContact CG2-CG 3.64Å; Y158-W217 HydrophobicContact CD1-CH2 4Å; Y158-W217 HydrophobicContact CD1-CZ3 4.23Å; Y158-W217 HydrophobicContact CD2-CH2 4.36Å; Y158-W217 AromaticContact CD2-CZ3 3.76Å; Y158-W217 HydrophobicContact CD2-CZ3 3.76Å; Y158-W217 HydrophobicContact CE2-CZ3 4.41Å; Y158-W217 AromaticContact CG-CH2 3.78Å; Y158-W217 HydrophobicContact CG-CH2 3.78Å; Y158-W217 AromaticContact CG-CZ3 3.62Å; Y158-W217 HydrophobicContact CG-CZ3 3.62Å; Y213-W217 PolarHBondContact O-N 2.99Å; A214-W217 PolarHBondContact O-N 2.93Å; I215-W217 VanDerWaalsContact C-N 3.33Å; I215-W217 PolarHBondContact O-N 3.03Å; W217-K219 PolarHBondContact O-N 3.29Å; W217-Q220 PolarHBondContact O-N 3.06Å; W217-N221 HydrophobicContact CD2-CB 4.31Å; W217-N221 HydrophobicContact CH2-CB 4.43Å; W217-N221 HydrophobicContact CZ2-CB 4Å; W217-N221 PolarHBondContact NE1-ND2 3.16Å; W217-N221 WeakPolarHBondContact O-CB 3.36Å; W217-N221 PolarHBondContact O-N 3.17Å; W217-N221 PolarHBondContact O-ND2 2.87Å; W217-I222 HydrophobicContact CH2-CD1 3.91Å; W217-I222 HydrophobicContact CH2-CG1 3.9Å; W217-I222 HydrophobicContact CZ3-CD1 4.19Å; W217-I222 HydrophobicContact CZ3-CG1 3.66Å
218F98.6Very high94Very high0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-60.7-46.6178-177-92.8000111.9L48 Y50 L57 Y158 V188 I191 A214 I215 Q220 N221 I222 L223 L226L48-F218 HydrophobicContact CD2-CB 3.71Å; L48-F218 HydrophobicContact CD2-CD2 3.87Å; L48-F218 HydrophobicContact CD2-CG 4.16Å; Y50-F218 HydrophobicContact CD1-CE2 4.41Å; Y50-F218 HydrophobicContact CD2-CE2 4.1Å; Y50-F218 AromaticContact CD2-CZ 3.9Å; Y50-F218 HydrophobicContact CD2-CZ 3.9Å; Y50-F218 HydrophobicContact CE2-CZ 4.21Å; Y50-F218 AromaticContact CG-CE2 3.9Å; Y50-F218 HydrophobicContact CG-CE2 3.9Å; Y50-F218 HydrophobicContact CG-CZ 4.13Å; L57-F218 HydrophobicContact CD2-CD1 4.5Å; L57-F218 HydrophobicContact CD2-CD2 3.98Å; L57-F218 HydrophobicContact CD2-CE1 4.3Å; L57-F218 HydrophobicContact CD2-CE2 3.75Å; L57-F218 HydrophobicContact CD2-CG 4.35Å; L57-F218 HydrophobicContact CD2-CZ 3.92Å; Y158-F218 AromaticContact CE2-CD2 4Å; Y158-F218 HydrophobicContact CE2-CD2 4Å; Y158-F218 HydrophobicContact CE2-CE2 4.05Å; V188-F218 HydrophobicContact CG1-CE1 4.34Å; V188-F218 HydrophobicContact CG2-CE1 4.19Å; V188-F218 HydrophobicContact CG2-CZ 4.26Å; I191-F218 HydrophobicContact CD1-CD1 3.79Å; I191-F218 HydrophobicContact CD1-CE1 4.23Å; A214-F218 WeakPolarHBondContact O-CB 3.43Å; A214-F218 PolarHBondContact O-N 2.78Å; I215-F218 PolarHBondContact O-N 3.4Å; F218-Q220 PolarHBondContact O-N 3.12Å; F218-N221 PolarHBondContact O-N 3.47Å; F218-I222 HydrophobicContact CD2-CB 3.68Å; F218-I222 HydrophobicContact CD2-CG1 3.89Å; F218-I222 HydrophobicContact CD2-CG2 4.01Å; F218-I222 HydrophobicContact CE2-CB 3.66Å; F218-I222 HydrophobicContact CE2-CG1 4.18Å; F218-I222 HydrophobicContact CE2-CG2 3.44Å; F218-I222 VanDerWaalsContact CE2-CG2 3.44Å; F218-I222 HydrophobicContact CG-CB 4.23Å; F218-I222 HydrophobicContact CZ-CB 4.18Å; F218-I222 HydrophobicContact CZ-CG2 3.84Å; F218-I222 PolarHBondContact O-N 3.34Å; F218-L223 HydrophobicContact CD1-CB 4.24Å; F218-L223 HydrophobicContact CE1-CB 4.12Å; F218-L223 HydrophobicContact CE1-CD1 4.37Å; F218-L223 PolarHBondContact O-N 3.16Å; F218-L226 HydrophobicContact CZ-CD1 4.04Å
219K97.7Very high92.2Very high66 Ų6666.6 Ų66.629%0.28733%0.333SS..Hα-helixtrans-59.1-34177.1-74.3176.362.4175.20112.4I191 E192 I215 M216 W217 L223 P224I191-K219 HydrophobicContact CD1-CG 4.12Å; E192-K219 WeakPolarHBondContact OE1-CE 3.36Å; E192-K219 IonicContact OE1-NZ 3.15Å; E192-K219 PolarHBondContact OE1-NZ 3.07Å; E192-K219 IonicContact OE2-NZ 3.36Å; E192-K219 PolarHBondContact OE2-NZ 3.28Å; I215-K219 HydrophobicContact CG2-CD 4.11Å; I215-K219 HydrophobicContact CG2-CG 4.42Å; I215-K219 WeakPolarHBondContact O-CB 3.38Å; I215-K219 WeakPolarHBondContact O-CG 3.35Å; I215-K219 PolarHBondContact O-N 3.31Å; M216-K219 PolarHBondContact O-N 3.13Å; W217-K219 PolarHBondContact O-N 3.29Å; K219-L223 HydrophobicContact CB-CD2 4.43Å; K219-L223 HydrophobicContact CG-CD2 4.04Å; K219-P224 WeakPolarHBondContact O-CD 3.35Å
220Q97.5Very high90.2Very high149 Ų14965.8 Ų65.870%0.69634%0.34SS*.Hα-helixtrans-82.1-39.1180179.8176.3-11.900113M216 W217 F218M216-Q220 PolarHBondContact O-N 2.82Å; M216-Q220 VanDerWaalsContact O-N 3.13Å; W217-Q220 PolarHBondContact O-N 3.06Å; F218-Q220 PolarHBondContact O-N 3.12Å
221N97.9Very high90Very high78 Ų7867.9 Ų67.942%0.41735%0.348SS..Hα-helixtrans-109.4-26.7-164.9-63.1-80.3000114.3W217 F218W217-N221 HydrophobicContact CD2-CB 4.31Å; W217-N221 HydrophobicContact CH2-CB 4.43Å; W217-N221 HydrophobicContact CZ2-CB 4Å; W217-N221 PolarHBondContact NE1-ND2 3.16Å; W217-N221 WeakPolarHBondContact O-CB 3.36Å; W217-N221 PolarHBondContact O-N 3.17Å; W217-N221 PolarHBondContact O-ND2 2.87Å; F218-N221 PolarHBondContact O-N 3.47Å
222I97.6Very high89.6Confident24 Ų2471.4 Ų71.412%0.12337%0.366CS..THydrogen-bonded Turntrans-113.5-50.6-175.8-53.6-59.9000110.9Y158 W217 F218 P224 S225 L226Y158-I222 HydrophobicContact CD1-CD1 4.42Å; Y158-I222 HydrophobicContact CE1-CD1 3.87Å; Y158-I222 HydrophobicContact CE1-CG1 4.29Å; Y158-I222 HydrophobicContact CE2-CG1 4.18Å; W217-I222 HydrophobicContact CH2-CD1 3.91Å; W217-I222 HydrophobicContact CH2-CG1 3.9Å; W217-I222 HydrophobicContact CZ3-CD1 4.19Å; W217-I222 HydrophobicContact CZ3-CG1 3.66Å; F218-I222 HydrophobicContact CD2-CB 3.68Å; F218-I222 HydrophobicContact CD2-CG1 3.89Å; F218-I222 HydrophobicContact CD2-CG2 4.01Å; F218-I222 HydrophobicContact CE2-CB 3.66Å; F218-I222 HydrophobicContact CE2-CG1 4.18Å; F218-I222 HydrophobicContact CE2-CG2 3.44Å; F218-I222 VanDerWaalsContact CE2-CG2 3.44Å; F218-I222 HydrophobicContact CG-CB 4.23Å; F218-I222 HydrophobicContact CZ-CB 4.18Å; F218-I222 HydrophobicContact CZ-CG2 3.84Å; F218-I222 PolarHBondContact O-N 3.34Å; I222-P224 VanDerWaalsContact C-N 3.33Å; I222-P224 VanDerWaalsContact O-N 3.14Å; I222-S225 PolarHBondContact O-N 3.35Å; I222-S225 PolarHBondContact O-OG 2.58Å; I222-L226 HydrophobicContact CG2-CD1 4.38Å; I222-L226 HydrophobicContact CG2-CD2 4.49Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 PolarHBondContact O-N 3.04Å
223L95.6Very high89.1Confident26 Ų2673.1 Ų73.114%0.13638%0.375CS..Hα-helixtrans-53-39.8-174-174.858.5000114.6V188 F218 K219 S225 L226 F227V188-L223 HydrophobicContact CG1-CD1 3.44Å; V188-L223 VanDerWaalsContact CG1-CD1 3.44Å; F218-L223 HydrophobicContact CD1-CB 4.24Å; F218-L223 HydrophobicContact CE1-CB 4.12Å; F218-L223 HydrophobicContact CE1-CD1 4.37Å; F218-L223 PolarHBondContact O-N 3.16Å; K219-L223 HydrophobicContact CB-CD2 4.43Å; K219-L223 HydrophobicContact CG-CD2 4.04Å; L223-S225 VanDerWaalsContact C-N 3.29Å; L223-S225 PolarHBondContact O-N 3.37Å; L223-L226 HydrophobicContact CD1-CD1 4.29Å; L223-L226 PolarHBondContact O-N 3.25Å; L223-F227 HydrophobicContact CD1-CE2 3.82Å; L223-F227 HydrophobicContact CD1-CZ 4.24Å; L223-F227 HydrophobicContact CG-CE2 3.85Å; L223-F227 VanDerWaalsContact O-CD2 3.29Å; L223-F227 WeakPolarHBondContact O-CD2 3.47Å
224P95Very high88.6Confident69 Ų6972.5 Ų72.545%0.44838%0.378SS..Hα-helixtrans-63.8-31.6179.2-23.536.5000113.8K219 I222K219-P224 WeakPolarHBondContact O-CD 3.35Å; I222-P224 VanDerWaalsContact C-N 3.33Å; I222-P224 VanDerWaalsContact O-N 3.14Å
225S92.4Very high88Confident53 Ų5377 Ų7737%0.37140%0.401SS..Hα-helixtrans-76-26.2-179.669.80000112.3I222 L223 F227 I228I222-S225 PolarHBondContact O-N 3.35Å; I222-S225 PolarHBondContact O-OG 2.58Å; L223-S225 VanDerWaalsContact C-N 3.29Å; L223-S225 PolarHBondContact O-N 3.37Å; S225-F227 VanDerWaalsContact C-N 3.27Å; S225-F227 PolarHBondContact O-N 3.08Å; S225-I228 PolarHBondContact O-N 2.94Å
226L89.6Confident87.3Confident37 Ų3782.1 Ų82.119%0.19443%0.428CS..Hα-helixtrans-66.4-27.5178-58.3-178.7000112.9Y50 F218 I222 L223Y50-L226 HydrophobicContact CE1-CD1 4.08Å; Y50-L226 HydrophobicContact CE1-CD2 3.91Å; Y50-L226 HydrophobicContact CE2-CD1 4.29Å; Y50-L226 WeakPolarHBondContact OH-CD1 3.27Å; F218-L226 HydrophobicContact CZ-CD1 4.04Å; I222-L226 HydrophobicContact CG2-CD1 4.38Å; I222-L226 HydrophobicContact CG2-CD2 4.49Å; I222-L226 HydrophobicContact CG2-CG 4.38Å; I222-L226 PolarHBondContact O-N 3.04Å; L223-L226 HydrophobicContact CD1-CD1 4.29Å; L223-L226 PolarHBondContact O-N 3.25Å
227F77.3Confident86.6Confident139 Ų13979.7 Ų79.761%0.6142%0.418SS*.THydrogen-bonded Turntrans-80.8-18.7176.7-67.6-69000113.8L223 S225 Q229 S230L223-F227 HydrophobicContact CD1-CE2 3.82Å; L223-F227 HydrophobicContact CD1-CZ 4.24Å; L223-F227 HydrophobicContact CG-CE2 3.85Å; L223-F227 VanDerWaalsContact O-CD2 3.29Å; L223-F227 WeakPolarHBondContact O-CD2 3.47Å; S225-F227 VanDerWaalsContact C-N 3.27Å; S225-F227 PolarHBondContact O-N 3.08Å; F227-Q229 VanDerWaalsContact C-N 3.29Å; F227-S230 PolarHBondContact O-OG 3.06Å
228I67.4Low85.6Confident146 Ų14683.5 Ų83.575%0.74944%0.441SS*.THydrogen-bonded Turntrans-78-22.6176.9-60.2173.3000110.4S225S225-I228 PolarHBondContact O-N 2.94Å
229Q56.1Low84.5Confident166 Ų16690.4 Ų90.478%0.77648%0.477SS*.  trans-93.3-7.1-177.7-65.5-177.6-9.900114.2F227F227-Q229 VanDerWaalsContact C-N 3.29Å
230S50.6Low83.3Confident132 Ų13292.6 Ų92.692%0.92350%0.495SS*.  trans-96.90178.3630000112.4F227F227-S230 PolarHBondContact O-OG 3.06Å

Retrieved 230 of 230 residues in 399.5 ms (Link to these results)

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