CBX7_HUMAN Loading...

Chromobox protein homolog 7

Component of a Polycomb group (PcG) multiprotein PRC1-like complex, a complex class required to maintain the transcriptionally repressive state of many genes, including Hox genes, throughout development. PcG PRC1 complex acts via chromatin remodeling and modification of histones; it mediates monoubiquitination of histone H2A 'Lys-119', rendering chromatin heritably changed in its expressibility. Promotes histone H3 trimethylation at 'Lys-9' (H3K9me3). Binds to trimethylated lysine residues in histones, and possibly also other proteins. Regulator of cellular lifespan by maintaining the repression of CDKN2A, but not by inducing telomerase activity.

AlphaFold DB , UniProt , Accession O95931, Species HUMAN (Homo sapiens, Human), Gene CBX7, Length 251 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
1M39.6Very low66.5Low244 Ų244135.3 Ų135.3100%1.20273%0.732SS**  01170-88.3170.1172.100107.1
2E44.7Very low68.9Low174 Ų174129.9 Ų129.981%0.81372%0.72SS**  trans-74.1136.7-165.3-61.5-175130.400112S4E2-S4 WeakPolarHBondContact CB-OG 3.25Å; E2-S4 PolarHBondContact O-N 3.07Å
3L58.7Low71Confident155 Ų155122.9 Ų122.981%0.81268%0.683SS**  trans-8027.3170.5-69.5162.2000110.8A5 I6L3-A5 PolarHBondContact O-N 3.19Å; L3-A5 VanDerWaalsContact O-N 3.1Å; L3-I6 HydrophobicContact CB-CD1 4.36Å; L3-I6 WeakPolarHBondContact O-CD1 3.12Å
4S49.5Very low72.8Confident96 Ų96120.1 Ų120.167%0.67166%0.662SS**  trans-89.733.4-155.3-65.10000116.5E2E2-S4 WeakPolarHBondContact CB-OG 3.25Å; E2-S4 PolarHBondContact O-N 3.07Å
5A54.7Low74.2Confident66 Ų66115.1 Ų115.155%0.54564%0.638SS.*  trans-147.460.5168.100000110.7L3 G7L3-A5 PolarHBondContact O-N 3.19Å; L3-A5 VanDerWaalsContact O-N 3.1Å; A5-G7 PolarHBondContact O-N 3.11Å
6I63Low75.6Confident145 Ų145108.5 Ų108.574%0.74460%0.602SS**  trans-63.181.1171.7-81.666.3000107.5L3L3-I6 HydrophobicContact CB-CD1 4.36Å; L3-I6 WeakPolarHBondContact O-CD1 3.12Å
7G71.1Confident76.8Confident58 Ų58108.6 Ų108.660%0.59859%0.591SS**  trans-72.8143.6150.300000107.8A5 Q9A5-G7 PolarHBondContact O-N 3.11Å; G7-Q9 PolarHBondContact O-N 3.29Å
8E79.6Confident77.8Confident193 Ų193109.2 Ų109.290%0.90259%0.587SS**  trans-66.296.7171.5-66.2173.9-17400108.5
9Q86.1Confident78.8Confident135 Ų135107.6 Ų107.663%0.63157%0.574SS**  trans-89.9127.8176.6-177.862.45300110G7 F11G7-Q9 PolarHBondContact O-N 3.29Å; Q9-F11 HydrophobicContact CB-CD2 4.38Å; Q9-F11 HydrophobicContact CB-CE2 3.61Å; Q9-F11 HydrophobicContact CB-CZ 3.84Å; Q9-F11 HydrophobicContact CG-CD1 4.33Å; Q9-F11 HydrophobicContact CG-CD2 4.03Å; Q9-F11 HydrophobicContact CG-CE1 3.72Å; Q9-F11 HydrophobicContact CG-CE2 3.38Å; Q9-F11 HydrophobicContact CG-CG 4.48Å; Q9-F11 HydrophobicContact CG-CZ 3.2Å; Q9-F11 WeakPolarHBondContact O-CD2 3.21Å
10V91.8Very high79.7Confident97 Ų97106.6 Ų106.659%0.58856%0.562SS**  trans-87133.1174-176.20000109.5L49V10-L49 HydrophobicContact CB-CD1 4.45Å; V10-L49 HydrophobicContact CG1-CD1 3.72Å; V10-L49 HydrophobicContact CG2-CD1 3.81Å
11F93Very high80.5Confident125 Ų125106.4 Ų106.455%0.54857%0.565SS.*  trans-128.6146.4177.8-62.4-83.1000110.9Q9 V13 W32Q9-F11 HydrophobicContact CB-CD2 4.38Å; Q9-F11 HydrophobicContact CB-CE2 3.61Å; Q9-F11 HydrophobicContact CB-CZ 3.84Å; Q9-F11 HydrophobicContact CG-CD1 4.33Å; Q9-F11 HydrophobicContact CG-CD2 4.03Å; Q9-F11 HydrophobicContact CG-CE1 3.72Å; Q9-F11 HydrophobicContact CG-CE2 3.38Å; Q9-F11 HydrophobicContact CG-CG 4.48Å; Q9-F11 HydrophobicContact CG-CZ 3.2Å; Q9-F11 WeakPolarHBondContact O-CD2 3.21Å; F11-V13 PolarHBondContact O-N 2.86Å; F11-W32 HydrophobicContact CB-CE3 3.81Å; F11-W32 HydrophobicContact CB-CZ3 3.68Å
12A94.8Very high83.1Confident71 Ų71101.5 Ų101.559%0.58753%0.533SS*.  trans-68.8127.9176.300000111.5K33A12-K33 HydrophobicContact CB-CB 3.9Å; A12-K33 WeakPolarHBondContact O-CB 3.24Å; A12-K33 PolarHBondContact O-N 3.28Å
13V96.4Very high85.4Confident39 Ų39102.4 Ų102.424%0.23653%0.534CS..EExtended strand (participates in β ladder)trans-101.7136.4178.3176.90000110.2F11 V30 W32 L53F11-V13 PolarHBondContact O-N 2.86Å; V13-V30 HydrophobicContact CB-CG1 4.07Å; V13-V30 HydrophobicContact CG1-CG1 3.5Å; V13-V30 VanDerWaalsContact CG1-CG1 3.5Å; V13-V30 HydrophobicContact CG2-CG1 3.44Å; V13-V30 VanDerWaalsContact CG2-CG1 3.44Å; V13-W32 HydrophobicContact CG2-CE3 3.84Å; V13-W32 HydrophobicContact CG2-CZ3 3.58Å; V13-L53 HydrophobicContact CB-CD1 3.71Å; V13-L53 HydrophobicContact CG1-CD1 3.65Å; V13-L53 HydrophobicContact CG1-CD2 4.41Å; V13-L53 HydrophobicContact CG2-CD1 4.45Å
14E95.9Very high87.2Confident84 Ų8498.4 Ų98.439%0.39353%0.53SS..EExtended strand (participates in β ladder)trans-84.1-52.4172.9-170.4-169.2145.900111.7K31E14-K31 HydrophobicContact CB-CD 4.38Å; E14-K31 HydrophobicContact CB-CG 4.48Å; E14-K31 WeakPolarHBondContact CB-O 3.45Å; E14-K31 PolarHBondContact N-O 3.29Å; E14-K31 IonicContact OE1-NZ 2.76Å; E14-K31 PolarHBondContact OE1-NZ 3.01Å; E14-K31 WeakPolarHBondContact OE2-CD 3.4Å; E14-K31 WeakPolarHBondContact OE2-CE 2.92Å; E14-K31 IonicContact OE2-NZ 2.65Å; E14-K31 PolarHBondContact OE2-NZ 3.32Å
15S94.8Very high89.3Confident44 Ų4499.2 Ų99.231%0.30852%0.522SS..EExtended strand (participates in β ladder)trans-166.8157.917950.90000111.9K31S15-K31 PolarHBondContact N-O 3.31Å; S15-K31 WeakPolarHBondContact O-CB 3.25Å; S15-K31 PolarHBondContact O-N 2.88Å
16I96.5Very high91.3Very high10 Ų1097.7 Ų97.75%0.05151%0.505CS..EExtended strand (participates in β ladder)trans-88.5133.7169.8-64.3172.8000109.2Y28 I48 L53 V54 Y57I16-Y28 HydrophobicContact CD1-CD1 4.23Å; I16-Y28 HydrophobicContact CD1-CD2 4.4Å; I16-Y28 HydrophobicContact CD1-CG 3.98Å; I16-Y28 HydrophobicContact CG2-CD1 3.61Å; I16-Y28 HydrophobicContact CG2-CG 4.05Å; I16-I48 HydrophobicContact CD1-CG2 4.46Å; I16-L53 HydrophobicContact CD1-CB 3.93Å; I16-L53 HydrophobicContact CG1-CB 4.27Å; I16-V54 HydrophobicContact CD1-CG2 4.04Å; I16-Y57 HydrophobicContact CB-CD2 4.21Å; I16-Y57 HydrophobicContact CB-CG 4.23Å; I16-Y57 HydrophobicContact CG2-CD1 4.37Å; I16-Y57 HydrophobicContact CG2-CD2 3.63Å; I16-Y57 HydrophobicContact CG2-CE2 4.23Å; I16-Y57 HydrophobicContact CG2-CG 3.71Å
17R94.6Very high92.9Very high110 Ų11092.3 Ų92.342%0.41548%0.477SS..EExtended strand (participates in β ladder)trans-103.7-34.2-174.8-64.6-175.870.3-152.64.5114.1L29 K31 P37R17-L29 HydrophobicContact CB-CD2 4.25Å; R17-L29 HydrophobicContact CB-CG 4.5Å; R17-L29 PolarHBondContact N-O 3.1Å; R17-K31 HydrophobicContact CG-CB 4.12Å; R17-P37 VanDerWaalsContact NH1-CB 3.33Å; R17-P37 PolarHBondContact NH1-O 3.11Å
18K96.2Very high94.1Very high119 Ų11989.6 Ų89.652%0.51745%0.449SS..EExtended strand (participates in β ladder)trans-149.9157.8-176-61.6-174.3179.5-179.10110Y28 L29 W42 Y57K18-Y28 WeakPolarHBondContact O-CA 3.44Å; K18-L29 HydrophobicContact CB-CB 3.87Å; K18-L29 HydrophobicContact CB-CD2 4.15Å; K18-L29 HydrophobicContact CD-CD2 3.96Å; K18-L29 HydrophobicContact CG-CD2 4.02Å; K18-L29 PolarHBondContact O-N 3.28Å; K18-W42 HydrophobicContact CB-CH2 3.71Å; K18-W42 HydrophobicContact CB-CZ2 4.5Å; K18-W42 HydrophobicContact CB-CZ3 4.28Å; K18-Y57 WeakPolarHBondContact CA-OH 3.44Å
19K96.2Very high94.9Very high79 Ų7981.1 Ų81.134%0.34341%0.41SS..EExtended strand (participates in β ladder)trans-123.4141.1172-179.9-178.8-166.4166.20108.9V26 Y28 Y57 E58K19-V26 HydrophobicContact CD-CG1 4.27Å; K19-V26 VanDerWaalsContact CE-CG1 3.42Å; K19-V26 HydrophobicContact CG-CG1 3.93Å; K19-Y28 HydrophobicContact CB-CD1 3.85Å; K19-Y28 HydrophobicContact CB-CE1 3.73Å; K19-Y28 HydrophobicContact CD-CE1 3.63Å; K19-Y28 VanDerWaalsContact CE-OH 3.28Å; K19-Y28 WeakPolarHBondContact CE-OH 3.15Å; K19-Y28 HydrophobicContact CG-CD1 4.01Å; K19-Y28 HydrophobicContact CG-CE1 3.55Å; K19-Y28 PolarHBondContact NZ-OH 3.35Å; K19-Y57 HydrophobicContact CB-CD1 4.32Å; K19-Y57 HydrophobicContact CB-CE1 3.32Å; K19-Y57 WeakPolarHBondContact CB-OH 3.49Å; K19-Y57 HydrophobicContact CD-CE1 4.05Å; K19-Y57 HydrophobicContact CG-CE1 4.28Å; K19-Y57 PolarHBondContact N-OH 2.86Å; K19-E58 IonicContact NZ-OE1 2.7Å; K19-E58 PolarHBondContact NZ-OE1 3.37Å
20R96.6Very high95.5Very high87 Ų8774.7 Ų74.733%0.32838%0.38SS..EExtended strand (participates in β ladder)trans-141.4161.7170.476.3-176.9-177.6-170.5-3.5110.2E27 W42R20-E27 HydrophobicContact CG-CB 4.11Å; R20-E27 IonicContact CZ-OE2 3.59Å; R20-E27 PolarHBondContact N-O 2.92Å; R20-E27 IonicContact NE-OE2 3.87Å; R20-E27 PolarHBondContact NE-OE2 3.22Å; R20-E27 IonicContact NH2-OE2 2.68Å; R20-E27 PolarHBondContact NH2-OE2 3.1Å; R20-E27 PolarHBondContact O-N 2.95Å; R20-W42 HydrophobicContact CB-CE3 4.44Å; R20-W42 HydrophobicContact CB-CH2 3.92Å; R20-W42 HydrophobicContact CB-CZ3 3.73Å; R20-W42 HydrophobicContact CG-CD2 4.26Å; R20-W42 HydrophobicContact CG-CE3 3.6Å; R20-W42 HydrophobicContact CG-CH2 3.88Å; R20-W42 HydrophobicContact CG-CZ3 3.39Å; R20-W42 VanDerWaalsContact CZ-CD2 3.43Å; R20-W42 VanDerWaalsContact NH2-CG 3.28Å
21V96.3Very high95.7Very high103 Ų10372.1 Ų72.162%0.62436%0.361SS*.EExtended strand (participates in β ladder)trans-117.3123.4175.6-173.90000108.7K25 V26V21-K25 WeakPolarHBondContact CA-O 3.37Å; V21-V26 HydrophobicContact CG2-CG2 4.38Å
22R94.7Very high95.9Very high141 Ų14168.3 Ų68.353%0.53234%0.343SS..EExtended strand (participates in β ladder)trans-133.6129.5178.4-171.4177.2-174.8176.80.4109.6G24 K25R22-G24 PolarHBondContact O-N 3.13Å; R22-G24 VanDerWaalsContact O-N 3.15Å; R22-K25 PolarHBondContact N-O 3.02Å; R22-K25 PolarHBondContact O-N 3.27Å; R22-K25 VanDerWaalsContact O-O 3.12Å
23K93.8Very high96Very high194 Ų19471.6 Ų71.684%0.84334%0.344SS*.THydrogen-bonded Turntrans51.236.2-179.5-61.2177.9176.8-174.80113.4K25K23-K25 PolarHBondContact O-N 3.35Å
24G94.6Very high96Very high71 Ų7173.3 Ų73.373%0.73237%0.369SS*.THydrogen-bonded Turntrans75.8-8.5-176.600000115.2R22R22-G24 PolarHBondContact O-N 3.13Å; R22-G24 VanDerWaalsContact O-N 3.15Å
25K95Very high95.9Very high113 Ų11376.8 Ų76.849%0.49138%0.379SS..EExtended strand (participates in β ladder)trans-90.8137.7174.4-65.1-168.4165.9-152.70110.8V21 R22 K23 E46V21-K25 WeakPolarHBondContact CA-O 3.37Å; R22-K25 PolarHBondContact N-O 3.02Å; R22-K25 PolarHBondContact O-N 3.27Å; R22-K25 VanDerWaalsContact O-O 3.12Å; K23-K25 PolarHBondContact O-N 3.35Å; K25-E46 IonicContact NZ-OE1 2.95Å; K25-E46 PolarHBondContact NZ-OE1 2.85Å
26V95.9Very high96Very high33 Ų3378 Ų7820%0.239%0.385CS..EExtended strand (participates in β ladder)trans-83.5130.3171.9178.50000108.4K19 V21 Y28 P44 E45K19-V26 HydrophobicContact CD-CG1 4.27Å; K19-V26 VanDerWaalsContact CE-CG1 3.42Å; K19-V26 HydrophobicContact CG-CG1 3.93Å; V21-V26 HydrophobicContact CG2-CG2 4.38Å; V26-Y28 HydrophobicContact CG1-CE1 4.47Å; V26-Y28 HydrophobicContact CG1-CE2 3.92Å; V26-P44 WeakPolarHBondContact O-CA 3.28Å; V26-E45 PolarHBondContact O-N 2.7Å; V26-E45 VanDerWaalsContact O-N 3.09Å
27E96.7Very high95.9Very high33 Ų3380.5 Ų80.515%0.15440%0.403CS..EExtended strand (participates in β ladder)trans-123.5138.6176.1-63.8171.7-173.400109.6R20 W42 E43R20-E27 HydrophobicContact CG-CB 4.11Å; R20-E27 IonicContact CZ-OE2 3.59Å; R20-E27 PolarHBondContact N-O 2.92Å; R20-E27 IonicContact NE-OE2 3.87Å; R20-E27 PolarHBondContact NE-OE2 3.22Å; R20-E27 IonicContact NH2-OE2 2.68Å; R20-E27 PolarHBondContact NH2-OE2 3.1Å; R20-E27 PolarHBondContact O-N 2.95Å; E27-W42 HydrophobicContact CB-CE3 4.15Å; E27-E43 CarbonylContact C-O 3.6Å; E27-E43 WeakPolarHBondContact CA-O 3.44Å
28Y96.9Very high96Very high0 Ų083.8 Ų83.80%042%0.42CS..EExtended strand (participates in β ladder)trans-108.8137.5177.6-70.4-68.4000110.7I16 K18 K19 V26 V30 W42 E43 E45 I48 V54 Y57I16-Y28 HydrophobicContact CD1-CD1 4.23Å; I16-Y28 HydrophobicContact CD1-CD2 4.4Å; I16-Y28 HydrophobicContact CD1-CG 3.98Å; I16-Y28 HydrophobicContact CG2-CD1 3.61Å; I16-Y28 HydrophobicContact CG2-CG 4.05Å; K18-Y28 WeakPolarHBondContact O-CA 3.44Å; K19-Y28 HydrophobicContact CB-CD1 3.85Å; K19-Y28 HydrophobicContact CB-CE1 3.73Å; K19-Y28 HydrophobicContact CD-CE1 3.63Å; K19-Y28 VanDerWaalsContact CE-OH 3.28Å; K19-Y28 WeakPolarHBondContact CE-OH 3.15Å; K19-Y28 HydrophobicContact CG-CD1 4.01Å; K19-Y28 HydrophobicContact CG-CE1 3.55Å; K19-Y28 PolarHBondContact NZ-OH 3.35Å; V26-Y28 HydrophobicContact CG1-CE1 4.47Å; V26-Y28 HydrophobicContact CG1-CE2 3.92Å; Y28-V30 PolarHBondContact O-N 3.29Å; Y28-W42 CarbonylContact O-C 3.58Å; Y28-W42 WeakPolarHBondContact O-CA 3.39Å; Y28-E43 PolarHBondContact N-O 3.23Å; Y28-E43 PolarHBondContact O-N 3.49Å; Y28-E45 HydrophobicContact CD2-CB 4.33Å; Y28-E45 HydrophobicContact CE2-CB 3.98Å; Y28-E45 HydrophobicContact CE2-CG 4.01Å; Y28-I48 HydrophobicContact CD2-CG1 4.34Å; Y28-V54 HydrophobicContact CD2-CG2 4.45Å; Y28-V54 HydrophobicContact CE2-CG1 4.16Å; Y28-V54 HydrophobicContact CE2-CG2 4.03Å; Y28-V54 WeakPolarHBondContact OH-CG1 3.3Å; Y28-Y57 HydrophobicContact CD1-CD1 4.28Å; Y28-Y57 HydrophobicContact CD1-CE1 4.49Å; Y28-Y57 AromaticContact CE1-CD1 3.85Å; Y28-Y57 HydrophobicContact CE1-CD1 3.85Å; Y28-Y57 HydrophobicContact CE1-CE1 4.13Å
29L97Very high96Very high16 Ų1684.4 Ų84.48%0.08442%0.42CS..EExtended strand (participates in β ladder)trans-82.9102.7172.5-177.166.2000108.9R17 K18 T41 W42R17-L29 HydrophobicContact CB-CD2 4.25Å; R17-L29 HydrophobicContact CB-CG 4.5Å; R17-L29 PolarHBondContact N-O 3.1Å; K18-L29 HydrophobicContact CB-CB 3.87Å; K18-L29 HydrophobicContact CB-CD2 4.15Å; K18-L29 HydrophobicContact CD-CD2 3.96Å; K18-L29 HydrophobicContact CG-CD2 4.02Å; K18-L29 PolarHBondContact O-N 3.28Å; L29-T41 WeakPolarHBondContact CA-O 3.33Å; L29-W42 HydrophobicContact CB-CD2 4.07Å; L29-W42 HydrophobicContact CB-CE3 3.9Å; L29-W42 HydrophobicContact CB-CH2 3.88Å; L29-W42 HydrophobicContact CB-CZ2 4.03Å; L29-W42 HydrophobicContact CB-CZ3 3.79Å; L29-W42 HydrophobicContact CD1-CD2 4.1Å; L29-W42 HydrophobicContact CD1-CG 4.24Å; L29-W42 HydrophobicContact CD1-CZ2 4.34Å; L29-W42 HydrophobicContact CD2-CZ2 4.31Å; L29-W42 HydrophobicContact CG-CZ2 4.47Å
30V97.2Very high96Very high0 Ų081.7 Ų81.70%041%0.411CS..EExtended strand (participates in β ladder)trans-86.5129.8-173.3-179.40000110.4V13 Y28 W32 S40 T41 E43 I48V13-V30 HydrophobicContact CB-CG1 4.07Å; V13-V30 HydrophobicContact CG1-CG1 3.5Å; V13-V30 VanDerWaalsContact CG1-CG1 3.5Å; V13-V30 HydrophobicContact CG2-CG1 3.44Å; V13-V30 VanDerWaalsContact CG2-CG1 3.44Å; Y28-V30 PolarHBondContact O-N 3.29Å; V30-W32 HydrophobicContact CB-CH2 4.4Å; V30-W32 HydrophobicContact CB-CZ2 4.18Å; V30-W32 HydrophobicContact CG1-CD2 3.9Å; V30-W32 HydrophobicContact CG1-CE3 3.78Å; V30-W32 HydrophobicContact CG1-CH2 3.87Å; V30-W32 HydrophobicContact CG1-CZ2 3.98Å; V30-W32 HydrophobicContact CG1-CZ3 3.75Å; V30-S40 WeakPolarHBondContact O-CA 3.36Å; V30-S40 WeakPolarHBondContact O-CB 3.28Å; V30-S40 PolarHBondContact O-OG 2.86Å; V30-T41 PolarHBondContact N-O 2.98Å; V30-E43 HydrophobicContact CB-CG 4.29Å; V30-E43 HydrophobicContact CG2-CB 3.84Å; V30-E43 HydrophobicContact CG2-CG 3.76Å; V30-I48 HydrophobicContact CG2-CD1 3.66Å
31K97.1Very high96Very high43 Ų4380.1 Ų80.119%0.18741%0.411CS..EExtended strand (participates in β ladder)trans-95.9109.8168.3-169.8-169.7179.2-159.40108.6E14 S15 R17E14-K31 HydrophobicContact CB-CD 4.38Å; E14-K31 HydrophobicContact CB-CG 4.48Å; E14-K31 WeakPolarHBondContact CB-O 3.45Å; E14-K31 PolarHBondContact N-O 3.29Å; E14-K31 IonicContact OE1-NZ 2.76Å; E14-K31 PolarHBondContact OE1-NZ 3.01Å; E14-K31 WeakPolarHBondContact OE2-CD 3.4Å; E14-K31 WeakPolarHBondContact OE2-CE 2.92Å; E14-K31 IonicContact OE2-NZ 2.65Å; E14-K31 PolarHBondContact OE2-NZ 3.32Å; S15-K31 PolarHBondContact N-O 3.31Å; S15-K31 WeakPolarHBondContact O-CB 3.25Å; S15-K31 PolarHBondContact O-N 2.88Å; R17-K31 HydrophobicContact CG-CB 4.12Å
32W96.8Very high96Very high44 Ų4478.9 Ų78.917%0.16740%0.395CS..EExtended strand (participates in β ladder)trans-71.4140.2179.9-54.1113.4000111.8F11 V13 V30 G34 W35 T41 E43F11-W32 HydrophobicContact CB-CE3 3.81Å; F11-W32 HydrophobicContact CB-CZ3 3.68Å; V13-W32 HydrophobicContact CG2-CE3 3.84Å; V13-W32 HydrophobicContact CG2-CZ3 3.58Å; V30-W32 HydrophobicContact CB-CH2 4.4Å; V30-W32 HydrophobicContact CB-CZ2 4.18Å; V30-W32 HydrophobicContact CG1-CD2 3.9Å; V30-W32 HydrophobicContact CG1-CE3 3.78Å; V30-W32 HydrophobicContact CG1-CH2 3.87Å; V30-W32 HydrophobicContact CG1-CZ2 3.98Å; V30-W32 HydrophobicContact CG1-CZ3 3.75Å; W32-G34 PolarHBondContact O-N 2.71Å; W32-W35 HydrophobicContact CB-CB 4.03Å; W32-W35 HydrophobicContact CB-CG 4.17Å; W32-W35 PolarHBondContact O-N 2.91Å; W32-T41 WeakPolarHBondContact CZ2-OG1 3.5Å; W32-T41 PolarHBondContact NE1-OG1 3.47Å; W32-E43 HydrophobicContact CH2-CG 3.96Å; W32-E43 HydrophobicContact CZ2-CG 3.81Å
33K96.5Very high96Very high140 Ų14074.3 Ų74.361%0.60938%0.38SS*.THydrogen-bonded Turntrans-63.5128.9178.8-178.168.1176.7-174.40109.9A12 W35A12-K33 HydrophobicContact CB-CB 3.9Å; A12-K33 WeakPolarHBondContact O-CB 3.24Å; A12-K33 PolarHBondContact O-N 3.28Å; K33-W35 PolarHBondContact O-N 3.27Å
34G95.9Very high96.1Very high75 Ų7566.1 Ų66.177%0.77335%0.346SS*.THydrogen-bonded Turntrans81.2-7179.500000114.9W32W32-G34 PolarHBondContact O-N 2.71Å
35W95.1Very high96Very high157 Ų15767.2 Ų67.260%0.59533%0.333SS*.SBendtrans-102.6142.8178.7-68.785.9000112.2W32 K33 Y39W32-W35 HydrophobicContact CB-CB 4.03Å; W32-W35 HydrophobicContact CB-CG 4.17Å; W32-W35 PolarHBondContact O-N 2.91Å; K33-W35 PolarHBondContact O-N 3.27Å; W35-Y39 HydrophobicContact CE3-CD2 4.09Å; W35-Y39 HydrophobicContact CE3-CG 4.31Å
36P96.6Very high95.9Very high69 Ų6968 Ų6845%0.44834%0.338SS..  trans-57.2146.3171.6-25.333.2000111.8K38 Y39P36-K38 PolarHBondContact O-N 3.31Å; P36-Y39 HydrophobicContact CB-CD2 4.19Å; P36-Y39 HydrophobicContact CB-CE2 4.49Å; P36-Y39 HydrophobicContact CG-CD2 4.23Å; P36-Y39 HydrophobicContact CG-CE2 4.27Å; P36-Y39 PolarHBondContact O-N 3.17Å
37P94.8Very high95.8Very high64 Ų6471.5 Ų71.542%0.41635%0.352SS..THydrogen-bonded Turntrans-62.7-2.217924.7-34.1000114.9R17 S40R17-P37 VanDerWaalsContact NH1-CB 3.33Å; R17-P37 PolarHBondContact NH1-O 3.11Å; P37-S40 PolarHBondContact O-OG 3.11Å
38K96.6Very high95.7Very high178 Ų17871 Ų7177%0.77435%0.35SS*.THydrogen-bonded Turntrans-74.8-31.9173.2-174.1-179.1178.3-174.40112P36 S40P36-K38 PolarHBondContact O-N 3.31Å; K38-S40 VanDerWaalsContact C-N 3.3Å
39Y95.7Very high95.5Very high133 Ų13376.8 Ų76.852%0.52238%0.38SS..SBendtrans-92.914.2179.4-59.7-78.5000112.7W35 P36 T41W35-Y39 HydrophobicContact CE3-CD2 4.09Å; W35-Y39 HydrophobicContact CE3-CG 4.31Å; P36-Y39 HydrophobicContact CB-CD2 4.19Å; P36-Y39 HydrophobicContact CB-CE2 4.49Å; P36-Y39 HydrophobicContact CG-CD2 4.23Å; P36-Y39 HydrophobicContact CG-CE2 4.27Å; P36-Y39 PolarHBondContact O-N 3.17Å; Y39-T41 PolarHBondContact O-N 3.37Å
40S96.2Very high95.4Very high21 Ų2180.8 Ų80.815%0.14740%0.402CS..  trans-62.4132173.2-74.20000111V30 P37 K38V30-S40 WeakPolarHBondContact O-CA 3.36Å; V30-S40 WeakPolarHBondContact O-CB 3.28Å; V30-S40 PolarHBondContact O-OG 2.86Å; P37-S40 PolarHBondContact O-OG 3.11Å; K38-S40 VanDerWaalsContact C-N 3.3Å
41T96.3Very high95.2Very high55 Ų5584.9 Ų84.934%0.33743%0.428SS..EExtended strand (participates in β ladder)trans-111.2160.8179.757.70000110.9L29 V30 W32 Y39 E43L29-T41 WeakPolarHBondContact CA-O 3.33Å; V30-T41 PolarHBondContact N-O 2.98Å; W32-T41 WeakPolarHBondContact CZ2-OG1 3.5Å; W32-T41 PolarHBondContact NE1-OG1 3.47Å; Y39-T41 PolarHBondContact O-N 3.37Å; T41-E43 VanDerWaalsContact CB-OE1 3.24Å; T41-E43 WeakPolarHBondContact CB-OE1 3.37Å; T41-E43 PolarHBondContact OG1-OE1 2.88Å
42W96.8Very high95.2Very high77 Ų7792.4 Ų92.429%0.29246%0.456SS..EExtended strand (participates in β ladder)trans-96.3104.5178-72.794.7000108.7K18 R20 E27 Y28 L29K18-W42 HydrophobicContact CB-CH2 3.71Å; K18-W42 HydrophobicContact CB-CZ2 4.5Å; K18-W42 HydrophobicContact CB-CZ3 4.28Å; R20-W42 HydrophobicContact CB-CE3 4.44Å; R20-W42 HydrophobicContact CB-CH2 3.92Å; R20-W42 HydrophobicContact CB-CZ3 3.73Å; R20-W42 HydrophobicContact CG-CD2 4.26Å; R20-W42 HydrophobicContact CG-CE3 3.6Å; R20-W42 HydrophobicContact CG-CH2 3.88Å; R20-W42 HydrophobicContact CG-CZ3 3.39Å; R20-W42 VanDerWaalsContact CZ-CD2 3.43Å; R20-W42 VanDerWaalsContact NH2-CG 3.28Å; E27-W42 HydrophobicContact CB-CE3 4.15Å; Y28-W42 CarbonylContact O-C 3.58Å; Y28-W42 WeakPolarHBondContact O-CA 3.39Å; L29-W42 HydrophobicContact CB-CD2 4.07Å; L29-W42 HydrophobicContact CB-CE3 3.9Å; L29-W42 HydrophobicContact CB-CH2 3.88Å; L29-W42 HydrophobicContact CB-CZ2 4.03Å; L29-W42 HydrophobicContact CB-CZ3 3.79Å; L29-W42 HydrophobicContact CD1-CD2 4.1Å; L29-W42 HydrophobicContact CD1-CG 4.24Å; L29-W42 HydrophobicContact CD1-CZ2 4.34Å; L29-W42 HydrophobicContact CD2-CZ2 4.31Å; L29-W42 HydrophobicContact CG-CZ2 4.47Å
43E95.4Very high95.1Very high44 Ų4491.9 Ų91.921%0.20646%0.456CS..EExtended strand (participates in β ladder)trans-102.5139.3-179.8-57.4-51.9135.900110E27 Y28 V30 W32 T41 H47 I48E27-E43 CarbonylContact C-O 3.6Å; E27-E43 WeakPolarHBondContact CA-O 3.44Å; Y28-E43 PolarHBondContact N-O 3.23Å; Y28-E43 PolarHBondContact O-N 3.49Å; V30-E43 HydrophobicContact CB-CG 4.29Å; V30-E43 HydrophobicContact CG2-CB 3.84Å; V30-E43 HydrophobicContact CG2-CG 3.76Å; W32-E43 HydrophobicContact CH2-CG 3.96Å; W32-E43 HydrophobicContact CZ2-CG 3.81Å; T41-E43 VanDerWaalsContact CB-OE1 3.24Å; T41-E43 WeakPolarHBondContact CB-OE1 3.37Å; T41-E43 PolarHBondContact OG1-OE1 2.88Å; E43-H47 HydrophobicContact CB-CB 4.45Å; E43-H47 IonicContact OE2-ND1 3.49Å; E43-H47 PolarHBondContact OE2-ND1 3.19Å; E43-I48 HydrophobicContact CB-CD1 4.22Å
44P94.7Very high95Very high22 Ų2286 Ų8614%0.14343%0.432CS..EExtended strand (participates in β ladder)trans-65.2156174.632.6-37.3000110.6V26 E46 H47V26-P44 WeakPolarHBondContact O-CA 3.28Å; P44-E46 HydrophobicContact CB-CG 3.91Å; P44-E46 HydrophobicContact CG-CG 3.78Å; P44-E46 PolarHBondContact O-N 3.45Å; P44-E46 VanDerWaalsContact O-N 3.16Å; P44-H47 WeakPolarHBondContact CD-ND1 3.29Å; P44-H47 HydrophobicContact CG-CB 4.21Å; P44-H47 WeakPolarHBondContact CG-ND1 3.28Å; P44-H47 PolarHBondContact O-N 3.27Å
45E93.4Very high95Very high95 Ų9587.8 Ų87.844%0.44442%0.421SS..G310 helixtrans-54.9-32.8177.4-178.5165.5-15300112.8V26 Y28 H47 I48V26-E45 PolarHBondContact O-N 2.7Å; V26-E45 VanDerWaalsContact O-N 3.09Å; Y28-E45 HydrophobicContact CD2-CB 4.33Å; Y28-E45 HydrophobicContact CE2-CB 3.98Å; Y28-E45 HydrophobicContact CE2-CG 4.01Å; E45-H47 PolarHBondContact O-N 3.26Å; E45-I48 PolarHBondContact O-N 3.3Å
46E92.6Very high95Very high130 Ų13083 Ų8361%0.60742%0.415SS*.G310 helixtrans-63.6-21.9177.966.7-159.9150.100114.2K25 P44K25-E46 IonicContact NZ-OE1 2.95Å; K25-E46 PolarHBondContact NZ-OE1 2.85Å; P44-E46 HydrophobicContact CB-CG 3.91Å; P44-E46 HydrophobicContact CG-CG 3.78Å; P44-E46 PolarHBondContact O-N 3.45Å; P44-E46 VanDerWaalsContact O-N 3.16Å
47H93Very high94.9Very high106 Ų10680.4 Ų80.449%0.49140%0.396SS..G310 helixtrans-91.3-7.1178.5-65.4177000113.6E43 P44 E45 L49E43-H47 HydrophobicContact CB-CB 4.45Å; E43-H47 IonicContact OE2-ND1 3.49Å; E43-H47 PolarHBondContact OE2-ND1 3.19Å; P44-H47 WeakPolarHBondContact CD-ND1 3.29Å; P44-H47 HydrophobicContact CG-CB 4.21Å; P44-H47 WeakPolarHBondContact CG-ND1 3.28Å; P44-H47 PolarHBondContact O-N 3.27Å; E45-H47 PolarHBondContact O-N 3.26Å; H47-L49 PolarHBondContact O-N 3.05Å
48I94Very high94.9Very high23 Ų2381.3 Ų81.312%0.11840%0.395CS..  trans-88.295.4-179.3-50.2-58.8000109I16 Y28 V30 E43 E45 D50 L53 V54I16-I48 HydrophobicContact CD1-CG2 4.46Å; Y28-I48 HydrophobicContact CD2-CG1 4.34Å; V30-I48 HydrophobicContact CG2-CD1 3.66Å; E43-I48 HydrophobicContact CB-CD1 4.22Å; E45-I48 PolarHBondContact O-N 3.3Å; I48-D50 VanDerWaalsContact C-N 3.25Å; I48-D50 PolarHBondContact O-N 3.24Å; I48-L53 HydrophobicContact CG2-CB 4.39Å; I48-L53 HydrophobicContact CG2-CD1 4.38Å; I48-V54 HydrophobicContact CB-CG2 4.4Å; I48-V54 HydrophobicContact CG2-CG2 4Å
49L93.8Very high94.9Very high120 Ų12079.9 Ų79.963%0.62839%0.391SS*.  trans-64.2-29.5-178.9-56.1-178.7000113.1V10 H47 P51V10-L49 HydrophobicContact CB-CD1 4.45Å; V10-L49 HydrophobicContact CG1-CD1 3.72Å; V10-L49 HydrophobicContact CG2-CD1 3.81Å; H47-L49 PolarHBondContact O-N 3.05Å; L49-P51 VanDerWaalsContact O-CD 3.24Å; L49-P51 WeakPolarHBondContact O-CD 3.49Å
50D94.2Very high94.7Very high101 Ų10178.5 Ų78.554%0.5439%0.388SS..  trans-98.7102.5-178-71.8-27.8000112.1I48 R52 L53I48-D50 VanDerWaalsContact C-N 3.25Å; I48-D50 PolarHBondContact O-N 3.24Å; D50-R52 PolarHBondContact O-N 2.76Å; D50-R52 VanDerWaalsContact O-N 3.1Å; D50-L53 HydrophobicContact CB-CD1 3.93Å; D50-L53 HydrophobicContact CB-CG 4.11Å; D50-L53 PolarHBondContact O-N 2.86Å; D50-L53 VanDerWaalsContact O-N 3.13Å
51P94.1Very high94.5Very high85 Ų8580.6 Ų80.655%0.55240%0.395SS*.Hα-helixtrans-63.8-21.4179.624.9-34.6000112.9L49 L53 V54 M55L49-P51 VanDerWaalsContact O-CD 3.24Å; L49-P51 WeakPolarHBondContact O-CD 3.49Å; P51-L53 PolarHBondContact O-N 2.76Å; P51-V54 PolarHBondContact O-N 3.45Å; P51-V54 VanDerWaalsContact O-N 3.15Å; P51-M55 WeakPolarHBondContact O-CG 3.43Å; P51-M55 PolarHBondContact O-N 3.3Å
52R95.6Very high94.3Very high202 Ų20282.9 Ų82.976%0.76240%0.402SS*.Hα-helixtrans-59.3-35176.4-58.8-179.6105.5176.87112.2D50 M55 A56D50-R52 PolarHBondContact O-N 2.76Å; D50-R52 VanDerWaalsContact O-N 3.1Å; R52-M55 HydrophobicContact CB-CE 4.33Å; R52-M55 HydrophobicContact CG-CE 4.04Å; R52-A56 VanDerWaalsContact O-CB 3.28Å; R52-A56 WeakPolarHBondContact O-CB 3.44Å; R52-A56 PolarHBondContact O-N 3.34Å
53L95.2Very high94Very high33 Ų3386.9 Ų86.917%0.17342%0.417CS..Hα-helixtrans-67.2-40.5178.1-67.4171.7000111.3V13 I16 I48 D50 P51 Y57V13-L53 HydrophobicContact CB-CD1 3.71Å; V13-L53 HydrophobicContact CG1-CD1 3.65Å; V13-L53 HydrophobicContact CG1-CD2 4.41Å; V13-L53 HydrophobicContact CG2-CD1 4.45Å; I16-L53 HydrophobicContact CD1-CB 3.93Å; I16-L53 HydrophobicContact CG1-CB 4.27Å; I48-L53 HydrophobicContact CG2-CB 4.39Å; I48-L53 HydrophobicContact CG2-CD1 4.38Å; D50-L53 HydrophobicContact CB-CD1 3.93Å; D50-L53 HydrophobicContact CB-CG 4.11Å; D50-L53 PolarHBondContact O-N 2.86Å; D50-L53 VanDerWaalsContact O-N 3.13Å; P51-L53 PolarHBondContact O-N 2.76Å; L53-Y57 WeakPolarHBondContact O-CB 3.4Å; L53-Y57 PolarHBondContact O-N 2.83Å; L53-Y57 VanDerWaalsContact O-N 3.13Å
54V95Very high93.7Very high17 Ų1787.7 Ų87.710%0.10342%0.423CS..Hα-helixtrans-66.2-50.1176179.80000109.8I16 Y28 I48 P51 A56 Y57 E58I16-V54 HydrophobicContact CD1-CG2 4.04Å; Y28-V54 HydrophobicContact CD2-CG2 4.45Å; Y28-V54 HydrophobicContact CE2-CG1 4.16Å; Y28-V54 HydrophobicContact CE2-CG2 4.03Å; Y28-V54 WeakPolarHBondContact OH-CG1 3.3Å; I48-V54 HydrophobicContact CB-CG2 4.4Å; I48-V54 HydrophobicContact CG2-CG2 4Å; P51-V54 PolarHBondContact O-N 3.45Å; P51-V54 VanDerWaalsContact O-N 3.15Å; V54-A56 PolarHBondContact O-N 3.42Å; V54-Y57 WeakPolarHBondContact O-CB 3.48Å; V54-Y57 PolarHBondContact O-N 3.22Å; V54-Y57 VanDerWaalsContact O-N 3.09Å; V54-E58 HydrophobicContact CG1-CG 4.3Å; V54-E58 WeakPolarHBondContact O-CG 3.41Å; V54-E58 PolarHBondContact O-N 3.41Å
55M95.3Very high93.4Very high112 Ų11292.4 Ų92.455%0.55244%0.438SS*.Hα-helixtrans-57.2-46.1177.8-69.3-171.1-63.500112.4P51 R52 Y57 E58 E59P51-M55 WeakPolarHBondContact O-CG 3.43Å; P51-M55 PolarHBondContact O-N 3.3Å; R52-M55 HydrophobicContact CB-CE 4.33Å; R52-M55 HydrophobicContact CG-CE 4.04Å; M55-Y57 VanDerWaalsContact C-N 3.27Å; M55-Y57 PolarHBondContact O-N 2.83Å; M55-E58 PolarHBondContact O-N 2.83Å; M55-E59 VanDerWaalsContact O-CB 3.29Å; M55-E59 WeakPolarHBondContact O-CB 3.43Å; M55-E59 PolarHBondContact O-N 2.65Å
56A95.6Very high93.1Very high55 Ų5590.7 Ų90.746%0.45544%0.439SS..Hα-helixtrans-62.7-35.1178.300000112.3R52 V54 K60R52-A56 VanDerWaalsContact O-CB 3.28Å; R52-A56 WeakPolarHBondContact O-CB 3.44Å; R52-A56 PolarHBondContact O-N 3.34Å; V54-A56 PolarHBondContact O-N 3.42Å; A56-K60 VanDerWaalsContact O-CB 3.28Å; A56-K60 WeakPolarHBondContact O-CB 3.06Å; A56-K60 PolarHBondContact O-N 3.32Å; A56-K60 VanDerWaalsContact O-N 3.14Å
57Y95.6Very high92.4Very high15 Ų1586.3 Ų86.36%0.05942%0.423CS..Hα-helixtrans-69.1-47.2174.1175-93.8000111.8I16 K18 K19 Y28 L53 V54 M55 K60 E61I16-Y57 HydrophobicContact CB-CD2 4.21Å; I16-Y57 HydrophobicContact CB-CG 4.23Å; I16-Y57 HydrophobicContact CG2-CD1 4.37Å; I16-Y57 HydrophobicContact CG2-CD2 3.63Å; I16-Y57 HydrophobicContact CG2-CE2 4.23Å; I16-Y57 HydrophobicContact CG2-CG 3.71Å; K18-Y57 WeakPolarHBondContact CA-OH 3.44Å; K19-Y57 HydrophobicContact CB-CD1 4.32Å; K19-Y57 HydrophobicContact CB-CE1 3.32Å; K19-Y57 WeakPolarHBondContact CB-OH 3.49Å; K19-Y57 HydrophobicContact CD-CE1 4.05Å; K19-Y57 HydrophobicContact CG-CE1 4.28Å; K19-Y57 PolarHBondContact N-OH 2.86Å; Y28-Y57 HydrophobicContact CD1-CD1 4.28Å; Y28-Y57 HydrophobicContact CD1-CE1 4.49Å; Y28-Y57 AromaticContact CE1-CD1 3.85Å; Y28-Y57 HydrophobicContact CE1-CD1 3.85Å; Y28-Y57 HydrophobicContact CE1-CE1 4.13Å; L53-Y57 WeakPolarHBondContact O-CB 3.4Å; L53-Y57 PolarHBondContact O-N 2.83Å; L53-Y57 VanDerWaalsContact O-N 3.13Å; V54-Y57 WeakPolarHBondContact O-CB 3.48Å; V54-Y57 PolarHBondContact O-N 3.22Å; V54-Y57 VanDerWaalsContact O-N 3.09Å; M55-Y57 VanDerWaalsContact C-N 3.27Å; M55-Y57 PolarHBondContact O-N 2.83Å; Y57-K60 PolarHBondContact O-N 3.37Å; Y57-E61 HydrophobicContact CD1-CG 4.07Å; Y57-E61 HydrophobicContact CD2-CG 4.4Å; Y57-E61 HydrophobicContact CE1-CG 3.43Å; Y57-E61 VanDerWaalsContact CE1-CG 3.43Å; Y57-E61 HydrophobicContact CE2-CG 3.85Å; Y57-E61 HydrophobicContact CG-CG 4.49Å; Y57-E61 WeakPolarHBondContact O-CB 3.45Å; Y57-E61 WeakPolarHBondContact O-CG 3.37Å; Y57-E61 PolarHBondContact O-N 3.29Å; Y57-E61 WeakPolarHBondContact OH-CG 3.28Å; Y57-E61 PolarHBondContact OH-OE2 3.49Å
58E94.8Very high91.1Very high84 Ų8482.9 Ų82.939%0.39342%0.417SS..Hα-helixtrans-66-40-179.6-67.4-165.5151.400112.3K19 V54 M55 K60 E61 E62K19-E58 IonicContact NZ-OE1 2.7Å; K19-E58 PolarHBondContact NZ-OE1 3.37Å; V54-E58 HydrophobicContact CG1-CG 4.3Å; V54-E58 WeakPolarHBondContact O-CG 3.41Å; V54-E58 PolarHBondContact O-N 3.41Å; M55-E58 PolarHBondContact O-N 2.83Å; E58-K60 VanDerWaalsContact C-N 3.35Å; E58-K60 PolarHBondContact O-N 2.82Å; E58-E61 PolarHBondContact O-N 3.31Å; E58-E62 WeakPolarHBondContact O-CB 3.34Å; E58-E62 PolarHBondContact O-N 3.49Å
59E94.9Very high89.3Confident148 Ų14891 Ų9169%0.69245%0.447SS*.Hα-helixtrans-58.9-46.9172179.8-177.8-141.200110.9M55 E61 E62 R63M55-E59 VanDerWaalsContact O-CB 3.29Å; M55-E59 WeakPolarHBondContact O-CB 3.43Å; M55-E59 PolarHBondContact O-N 2.65Å; E59-E61 PolarHBondContact O-N 2.87Å; E59-E62 PolarHBondContact O-N 3.26Å; E59-R63 VanDerWaalsContact O-CB 3.24Å; E59-R63 WeakPolarHBondContact O-CB 3.45Å; E59-R63 PolarHBondContact O-N 2.83Å
60K92.8Very high87.8Confident104 Ų10495.6 Ų95.645%0.45246%0.456SS..Hα-helixtrans-62.2-44.2177.5179-178.5174.1-169.60111.7A56 Y57 E58 R63 D64A56-K60 VanDerWaalsContact O-CB 3.28Å; A56-K60 WeakPolarHBondContact O-CB 3.06Å; A56-K60 PolarHBondContact O-N 3.32Å; A56-K60 VanDerWaalsContact O-N 3.14Å; Y57-K60 PolarHBondContact O-N 3.37Å; E58-K60 VanDerWaalsContact C-N 3.35Å; E58-K60 PolarHBondContact O-N 2.82Å; K60-R63 PolarHBondContact O-N 3.26Å; K60-D64 WeakPolarHBondContact O-CB 2.97Å; K60-D64 VanDerWaalsContact O-CG 3.25Å; K60-D64 PolarHBondContact O-N 2.87Å
61E91.6Very high86.2Confident64 Ų6498.8 Ų98.830%0.29947%0.465SS..Hα-helixtrans-64.2-41.6177.3-75.6-71.510500111.9Y57 E58 E59 D64 R65Y57-E61 HydrophobicContact CD1-CG 4.07Å; Y57-E61 HydrophobicContact CD2-CG 4.4Å; Y57-E61 HydrophobicContact CE1-CG 3.43Å; Y57-E61 VanDerWaalsContact CE1-CG 3.43Å; Y57-E61 HydrophobicContact CE2-CG 3.85Å; Y57-E61 HydrophobicContact CG-CG 4.49Å; Y57-E61 WeakPolarHBondContact O-CB 3.45Å; Y57-E61 WeakPolarHBondContact O-CG 3.37Å; Y57-E61 PolarHBondContact O-N 3.29Å; Y57-E61 WeakPolarHBondContact OH-CG 3.28Å; Y57-E61 PolarHBondContact OH-OE2 3.49Å; E58-E61 PolarHBondContact O-N 3.31Å; E59-E61 PolarHBondContact O-N 2.87Å; E61-D64 PolarHBondContact O-N 3.35Å; E61-R65 VanDerWaalsContact O-CB 3.25Å; E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 PolarHBondContact O-N 3.13Å
62E91.2Very high84.6Confident103 Ų103106.1 Ų106.148%0.48148%0.482SS..Hα-helixtrans-66.8-41.6176.5-171.754.4-138.200111E58 E59 D64 R65 A66E58-E62 WeakPolarHBondContact O-CB 3.34Å; E58-E62 PolarHBondContact O-N 3.49Å; E59-E62 PolarHBondContact O-N 3.26Å; E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 3.14Å; E62-R65 WeakPolarHBondContact O-CB 3.4Å; E62-R65 PolarHBondContact O-N 3.37Å; E62-R65 IonicContact OE2-CZ 3.79Å; E62-R65 IonicContact OE2-NH1 2.83Å; E62-R65 PolarHBondContact OE2-NH1 2.92Å; E62-A66 VanDerWaalsContact O-CB 3.3Å; E62-A66 WeakPolarHBondContact O-CB 3.18Å; E62-A66 PolarHBondContact O-N 2.9Å
63R90.6Very high83.3Confident162 Ų16298.6 Ų98.661%0.61147%0.467SS*.Hα-helixtrans-62.4-41.2173.7-167.6-154.372.7137.43.5111.7E59 K60 R65 S67E59-R63 VanDerWaalsContact O-CB 3.24Å; E59-R63 WeakPolarHBondContact O-CB 3.45Å; E59-R63 PolarHBondContact O-N 2.83Å; K60-R63 PolarHBondContact O-N 3.26Å; R63-R65 VanDerWaalsContact C-N 3.34Å; R63-S67 WeakPolarHBondContact O-CB 3.49Å; R63-S67 PolarHBondContact O-N 2.8Å; R63-S67 PolarHBondContact O-OG 2.9Å
64D89.5Confident82.3Confident60 Ų60103.2 Ų103.232%0.32150%0.5SS..Hα-helixtrans-69.9-32.9177.1-72.7-7.3000111.2K60 E61 E62 S67 G68K60-D64 WeakPolarHBondContact O-CB 2.97Å; K60-D64 VanDerWaalsContact O-CG 3.25Å; K60-D64 PolarHBondContact O-N 2.87Å; E61-D64 PolarHBondContact O-N 3.35Å; E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 3.14Å; D64-S67 WeakPolarHBondContact CA-OG 3.24Å; D64-S67 PolarHBondContact O-OG 3.09Å; D64-G68 WeakPolarHBondContact O-CA 3.17Å; D64-G68 PolarHBondContact O-N 2.68Å
65R87.8Confident81Confident122 Ų122111.6 Ų111.646%0.4653%0.534SS..Hα-helixtrans-68.8-48.7172.3-171.4174.2-57.7108.611.7112.5E61 E62 R63 G68 Y69E61-R65 VanDerWaalsContact O-CB 3.25Å; E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 PolarHBondContact O-N 3.13Å; E62-R65 WeakPolarHBondContact O-CB 3.4Å; E62-R65 PolarHBondContact O-N 3.37Å; E62-R65 IonicContact OE2-CZ 3.79Å; E62-R65 IonicContact OE2-NH1 2.83Å; E62-R65 PolarHBondContact OE2-NH1 2.92Å; R63-R65 VanDerWaalsContact C-N 3.34Å; R65-G68 PolarHBondContact O-N 2.89Å; R65-Y69 VanDerWaalsContact O-CD2 3.28Å; R65-Y69 WeakPolarHBondContact O-CD2 3.24Å
66A87.1Confident79.6Confident58 Ų58112 Ų11248%0.47955%0.546SS..Hα-helixtrans-63.4-41.4176.300000111.6E62E62-A66 VanDerWaalsContact O-CB 3.3Å; E62-A66 WeakPolarHBondContact O-CB 3.18Å; E62-A66 PolarHBondContact O-N 2.9Å
67S79.4Confident78.2Confident38 Ų38118.2 Ų118.227%0.26656%0.563SS.*Hα-helixtrans-75.9-23.5177.167.40000113.3R63 D64 Y69 R70 K71R63-S67 WeakPolarHBondContact O-CB 3.49Å; R63-S67 PolarHBondContact O-N 2.8Å; R63-S67 PolarHBondContact O-OG 2.9Å; D64-S67 WeakPolarHBondContact CA-OG 3.24Å; D64-S67 PolarHBondContact O-OG 3.09Å; S67-Y69 PolarHBondContact O-N 2.75Å; S67-R70 PolarHBondContact O-N 3.19Å; S67-K71 WeakPolarHBondContact O-CG 3.18Å; S67-K71 PolarHBondContact O-N 3.15Å
68G65.4Low76.7Confident35 Ų35129 Ų12936%0.36160%0.603SS.*Hα-helixtrans-54.4-33.5175.500000113.4D64 R65 R70D64-G68 WeakPolarHBondContact O-CA 3.17Å; D64-G68 PolarHBondContact O-N 2.68Å; R65-G68 PolarHBondContact O-N 2.89Å; G68-R70 VanDerWaalsContact C-N 3.33Å; G68-R70 PolarHBondContact O-N 2.93Å
69Y56.6Low75Confident192 Ų192131.6 Ų131.675%0.75362%0.619SS**Hα-helixtrans-73.5-21.7175.4-66.4-77.2000114R65 S67R65-Y69 VanDerWaalsContact O-CD2 3.28Å; R65-Y69 WeakPolarHBondContact O-CD2 3.24Å; S67-Y69 PolarHBondContact O-N 2.75Å
70R62.5Low73.2Confident217 Ų217130.7 Ų130.782%0.81962%0.618SS**Hα-helixtrans-105.3-15.7-176.3-60.7-60.5-174.7-161.4-0.5113.9S67 G68S67-R70 PolarHBondContact O-N 3.19Å; G68-R70 VanDerWaalsContact C-N 3.33Å; G68-R70 PolarHBondContact O-N 2.93Å
71K60.6Low71.5Confident168 Ų168132.1 Ų132.173%0.7363%0.63SS**Hα-helixtrans-103.2-13.7-174.8-61.1-65.1-177.7178.50114.7S67S67-K71 WeakPolarHBondContact O-CG 3.18Å; S67-K71 PolarHBondContact O-N 3.15Å
72R59.7Low70Confident239 Ų239137.5 Ų137.590%0.90266%0.655SS**SBendtrans-111.121.1-179.6-60.6-149.6-174.8-158.25.7114.9
73G68.1Low68.2Low44 Ų44141.4 Ų141.445%0.45467%0.665SS.*SBendtrans-100.1151.9165.300000111K75G73-K75 PolarHBondContact O-N 3.3Å; G73-K75 VanDerWaalsContact O-N 3.11Å
74P74Confident66.4Low131 Ų131140.2 Ų140.285%0.85167%0.671SS**  trans-48.9122.2165.7-23.633.2000108.9P76P74-P76 VanDerWaalsContact O-N 3.12Å
75K67.4Low64.4Low192 Ų192145.7 Ų145.784%0.83569%0.688SS**  trans-43.9125176.1-73.4177.9178.1174.40107.6G73 K77G73-K75 PolarHBondContact O-N 3.3Å; G73-K75 VanDerWaalsContact O-N 3.11Å; K75-K77 PolarHBondContact O-N 3.13Å
76P66.7Low63Low122 Ų122144.9 Ų144.979%0.79270%0.701SS**  trans-55.7115.4170.723.4-30.7000105.2P74 R78P74-P76 VanDerWaalsContact O-N 3.12Å; P76-R78 PolarHBondContact O-N 2.75Å
77K66Low61.4Low185 Ų185150.1 Ų150.180%0.80472%0.718SS**  trans-54.9114.8169.4-71.6178.2-179.8172.10103.3K75 L79K75-K77 PolarHBondContact O-N 3.13Å; K77-L79 PolarHBondContact O-N 3.1Å
78R64.8Low60Low240 Ų240154 Ų15491%0.90674%0.735SS**  trans-5198.8161.5-86-177.6142.9168.8-5.8104P76 L80P76-R78 PolarHBondContact O-N 2.75Å; R78-L80 VanDerWaalsContact C-N 3.31Å; R78-L80 PolarHBondContact O-N 3.39Å
79L59.3Low59.7Low140 Ų140160.9 Ų160.973%0.73376%0.763SS**  trans-57.8113.2163.8-66-179.6000101.9K77 L81K77-L79 PolarHBondContact O-N 3.1Å; L79-L81 PolarHBondContact O-N 2.97Å
80L55.5Low59.9Low129 Ų129161.8 Ų161.868%0.67577%0.765SS**  trans-61.181.8161.6-83.5167.2000105.2R78 Q82 R83R78-L80 VanDerWaalsContact C-N 3.31Å; R78-L80 PolarHBondContact O-N 3.39Å; L80-Q82 PolarHBondContact O-N 2.83Å; L80-R83 PolarHBondContact O-N 3.35Å
81L57Low59.5Low134 Ų134156.9 Ų156.970%0.70276%0.764SS**THydrogen-bonded Turntrans-64.24.4166.8-100.1167.4000111.3L79 R83 L84L79-L81 PolarHBondContact O-N 2.97Å; L81-R83 VanDerWaalsContact C-N 3.34Å; L81-L84 HydrophobicContact CD2-CD1 4.09Å
82Q60.3Low59.3Low176 Ų176154.1 Ų154.182%0.82277%0.766SS**THydrogen-bonded Turntrans-86.6-4174.2-151.1167.928.900113L80L80-Q82 PolarHBondContact O-N 2.83Å
83R54.3Low59Low185 Ų185151.4 Ų151.470%0.69876%0.763SS**  trans-125.817.2-174.8-142.1179.7-168.8146.12.4115.3L80 L81 Y85L80-R83 PolarHBondContact O-N 3.35Å; L81-R83 VanDerWaalsContact C-N 3.34Å; R83-Y85 HydrophobicContact CG-CE2 4.48Å; R83-Y85 WeakPolarHBondContact O-CD2 3.35Å; R83-Y85 WeakPolarHBondContact O-CE2 3.41Å; R83-Y85 PolarHBondContact O-N 2.89Å; R83-Y85 VanDerWaalsContact O-N 3.13Å
84L52.8Low58.3Low138 Ų138158.8 Ų158.872%0.72378%0.783SS**SBendtrans-75.779.2146.4-66.5173.7000104.1L81 S86L81-L84 HydrophobicContact CD2-CD1 4.09Å; L84-S86 PolarHBondContact O-N 3.31Å
85Y47.5Very low57.5Low175 Ų175157.1 Ų157.169%0.68678%0.78SS**  33.989.2109.6-71.4-72.5000109.9R83 M87R83-Y85 HydrophobicContact CG-CE2 4.48Å; R83-Y85 WeakPolarHBondContact O-CD2 3.35Å; R83-Y85 WeakPolarHBondContact O-CE2 3.41Å; R83-Y85 PolarHBondContact O-N 2.89Å; R83-Y85 VanDerWaalsContact O-N 3.13Å; Y85-M87 VanDerWaalsContact C-N 3.29Å; Y85-M87 PolarHBondContact O-N 2.89Å
86S57.7Low56.9Low105 Ų105157.8 Ų157.873%0.73478%0.783SS**  50.251.4122.761.40000113.6L84L84-S86 PolarHBondContact O-N 3.31Å
87M53.1Low56.3Low167 Ų167154.6 Ų154.682%0.82377%0.772SS**  trans-95.692.7153.2-71.5-135.871.400105.5Y85 L89Y85-M87 VanDerWaalsContact C-N 3.29Å; Y85-M87 PolarHBondContact O-N 2.89Å; M87-L89 PolarHBondContact O-N 2.88Å
88D50.9Low55.9Low120 Ų120156 Ų15664%0.64278%0.778SS**  trans-47.7104.6174.4-1574.5000109.2R90D88-R90 PolarHBondContact O-N 2.9Å; D88-R90 VanDerWaalsContact OD1-CB 3.25Å; D88-R90 WeakPolarHBondContact OD1-CB 2.81Å; D88-R90 WeakPolarHBondContact OD1-CD 3.41Å; D88-R90 WeakPolarHBondContact OD1-CG 3.38Å
89L58.7Low55.6Low180 Ų180152.5 Ų152.594%0.94277%0.772SS**THydrogen-bonded Turntrans-69.730.1170.3-88109.8000111.5M87M87-L89 PolarHBondContact O-N 2.88Å
90R61.1Low56Low211 Ų211155.5 Ų155.580%0.79678%0.779SS**THydrogen-bonded Turntrans-106.8-2.8-173.6-70.8-174.9129.2134.70.2116.2D88 S92D88-R90 PolarHBondContact O-N 2.9Å; D88-R90 VanDerWaalsContact OD1-CB 3.25Å; D88-R90 WeakPolarHBondContact OD1-CB 2.81Å; D88-R90 WeakPolarHBondContact OD1-CD 3.41Å; D88-R90 WeakPolarHBondContact OD1-CG 3.38Å; R90-S92 VanDerWaalsContact C-N 3.32Å; R90-S92 PolarHBondContact O-N 3.19Å; R90-S92 VanDerWaalsContact O-N 3.07Å
91S54.4Low56.2Low113 Ų113156.2 Ų156.279%0.7978%0.783SS**  trans-8778.6167.571.70000111H93S91-H93 PolarHBondContact O-N 3.15Å
92S56Low56.1Low111 Ų111154.6 Ų154.678%0.77678%0.782SS**  trans-57.8110.2150.1-76.30000108.5R90R90-S92 VanDerWaalsContact C-N 3.32Å; R90-S92 PolarHBondContact O-N 3.19Å; R90-S92 VanDerWaalsContact O-N 3.07Å
93H53.4Low55.7Low181 Ų181155.3 Ų155.384%0.83878%0.782SS**  trans-147.9119.3148-128.6-83.4000109.7S91 A95S91-H93 PolarHBondContact O-N 3.15Å; H93-A95 PolarHBondContact O-N 2.76Å; H93-A95 VanDerWaalsContact O-N 3.11Å
94K54.2Low55.5Low199 Ų199150.4 Ų150.487%0.86578%0.776SS**  trans-56.1112.7177.6-78.3-156179.6-173.80110.1
95A56.1Low55.5Low96 Ų96152.4 Ų152.479%0.79379%0.787SS**  trans-117.2112.915800000107.8H93 G97H93-A95 PolarHBondContact O-N 2.76Å; H93-A95 VanDerWaalsContact O-N 3.11Å; A95-G97 PolarHBondContact O-N 3.46Å
96K56.1Low55.9Low206 Ų206149.4 Ų149.490%0.89679%0.787SS**  trans-72.1108.2173.8-72.7-138.9-178.7-174.90108.7
97G53.1Low55.6Low55 Ų55150.8 Ų150.857%0.56780%0.795SS**  trans-156.111717300000109.7A95 E99A95-G97 PolarHBondContact O-N 3.46Å; G97-E99 PolarHBondContact O-N 2.78Å; G97-E99 VanDerWaalsContact O-N 3.1Å
98K58.5Low55.6Low215 Ų215148.9 Ų148.994%0.93580%0.795SS**  trans-77.489.2-178.2-70.9168.4173.9173.50109.1
99E57.7Low55.3Low167 Ų167152 Ų15278%0.7881%0.811SS**  trans-122.697.8177-57.8-171.9-132.300109.6G97 L101G97-E99 PolarHBondContact O-N 2.78Å; G97-E99 VanDerWaalsContact O-N 3.1Å; E99-L101 PolarHBondContact O-N 2.77Å
100K66.8Low54.5Low203 Ų203146.9 Ų146.988%0.88380%0.802SS**  trans-73100.5172.742.8-179176.8-177.60108.6C102K100-C102 PolarHBondContact O-N 2.87Å; K100-C102 VanDerWaalsContact O-N 3.1Å
101L59.8Low53.8Low144 Ų144143.1 Ų143.175%0.75481%0.808SS**  trans-69.8103.6171.4-67.6176.8000109.3E99 F103E99-L101 PolarHBondContact O-N 2.77Å; L101-F103 HydrophobicContact CB-CE2 4.26Å
102C55.7Low53.2Low99 Ų99141.3 Ų141.367%0.66981%0.807SS**  trans-98118.4171.21710000108.7K100 S104K100-C102 PolarHBondContact O-N 2.87Å; K100-C102 VanDerWaalsContact O-N 3.1Å; C102-S104 PolarHBondContact SG-OG 3.09Å; C102-S104 VanDerWaalsContact SG-OG 3.35Å
103F52.8Low52.5Low191 Ų191141.6 Ų141.684%0.83881%0.809SS**  trans-106.586.5166.5-64.8-82.6000108.3L101L101-F103 HydrophobicContact CB-CE2 4.26Å
104S50Low52.3Low82 Ų82138 Ų13857%0.57380%0.802SS**  trans-106.6111.6173.550.90000110.5C102 T106C102-S104 PolarHBondContact SG-OG 3.09Å; C102-S104 VanDerWaalsContact SG-OG 3.35Å; S104-T106 VanDerWaalsContact C-N 3.32Å; S104-T106 PolarHBondContact O-N 2.7Å
105L52.5Low51.9Low180 Ų180137.6 Ų137.694%0.94280%0.803SS**  trans-85.567.9172.1-65.5174.9000110.2
106T55.9Low51.6Low112 Ų112136.9 Ų136.969%0.68781%0.805SS**  trans-151118.8168.141.30000109.3S104 P108S104-T106 VanDerWaalsContact C-N 3.32Å; S104-T106 PolarHBondContact O-N 2.7Å; T106-P108 WeakPolarHBondContact O-CD 3.5Å
107C50.9Low51.5Low134 Ų134133.8 Ų133.891%0.90580%0.803SS**  trans-85.2120.4171.2-60.20000109
108P52.3Low51.6Low127 Ų127137.5 Ų137.583%0.82581%0.814SS**  trans-84.8126.5167.8-0.420000109.6T106T106-P108 WeakPolarHBondContact O-CD 3.5Å
109L44.7Very low51.3Low185 Ų185137 Ų13797%0.96981%0.812SS**  trans-85.3115.8166.8179.767.6000107.6
110G41.8Very low50.5Low74 Ų74134.2 Ų134.276%0.76382%0.818SS**  trans-173.7117.4178.800000112.8
111S46.7Very low49.5Very low131 Ų131128.5 Ų128.592%0.91682%0.817SS**  trans-62.8144.7176.362.90000113.4
112G42.6Very low49.1Very low75 Ų75126.3 Ų126.377%0.77382%0.819SS**  trans-164108.3166.100000111
113S40.5Very low48.8Very low118 Ų118127.2 Ų127.283%0.82582%0.824SS**  trans-55156164.4-172.10000111.5
114P50.7Low48.3Very low105 Ų105125.9 Ų125.968%0.68282%0.821SS**  -151.8160.597.135-14.6000116.8
115E45.8Very low48.3Very low190 Ų190128 Ų12889%0.88883%0.825SS**  trans73.1111.3146.8-73.2174.713700120.8
116G49.7Very low48.2Very low81 Ų81124.9 Ų124.984%0.83581%0.813SS**  trans-171.488.8169.500000112.1
117V53Low48Very low141 Ų141124.9 Ų124.986%0.85581%0.809SS**  trans-45.9126.3168.2167.70000112.3
118V55.6Low48.2Very low133 Ų133126.9 Ų126.981%0.80680%0.802SS**  -175.6134.1117.4-133.80000113
119K52.2Low48.1Very low204 Ų204124.3 Ų124.389%0.88780%0.799SS**  trans38.5119.8148.9-92.2-176.9171.5176.90124.1
120A41.3Very low48.6Very low109 Ų109121.3 Ų121.390%0.90179%0.791SS**  trans-23.6141155.600000121.2
121G44.2Very low48.9Very low83 Ų83125.5 Ų125.586%0.85680%0.795SS**  trans170.7100.815900000110.2
122A51.7Low49.6Very low98 Ų98125.3 Ų125.381%0.8179%0.787SS**  trans-95.3-172.3-174.800000111.8
123P49.7Very low50.6Low119 Ų119127 Ų12777%0.77379%0.785SS**  -131.1158.5-82.438-22.3000112.9
124E42.9Very low51.5Low163 Ų163127.4 Ų127.476%0.76278%0.783SS**  trans-178.4154.7150.4-122.1-92.295.600114
125L49.8Very low51.9Low127 Ų127129.1 Ų129.167%0.66579%0.785SS**  trans8882.4153.1-120.1155000121.2
126V50.4Low52.8Low114 Ų114125 Ų12569%0.69178%0.775SS**  53.7103.2109173.70000118.1
127D51.8Low53.3Low112 Ų112129 Ų12960%0.59977%0.77SS**  110.5138.9110.7-153.632.9000122.6
128K55.9Low54Low175 Ų175128 Ų12876%0.76177%0.766SS**  trans72112.4163.1-49.5-54.4-177.6-1260122.3
129G49.9Very low54.3Low74 Ų74130 Ų13076%0.76377%0.771SS**  128.8138.8128.900000117.5
130P53.7Low54.8Low122 Ų122131.4 Ų131.479%0.79277%0.771SS**  trans-98.9129.5-151.97.713.6000116.1
131L48.9Very low56.3Low162 Ų162135.3 Ų135.385%0.84877%0.768SS**  trans29.8107135.6-63.4168000119.8
132V62Low57.6Low126 Ų126137.6 Ų137.676%0.76477%0.767SS**  trans-129.6110.6150.2-177.60000108.8T134V132-T134 PolarHBondContact O-N 3.45Å
133P62.4Low58.1Low112 Ų112144.6 Ų144.673%0.72777%0.773SS**  trans-79.8103.9170.7-8.625.7000109.9L135P133-L135 PolarHBondContact O-N 3.02Å
134T59.1Low58.6Low126 Ų126148.4 Ų148.477%0.77378%0.777SS**  trans-67.2113.5168.6-600000109.6V132V132-T134 PolarHBondContact O-N 3.45Å
135L59.4Low59.6Low141 Ų141144.9 Ų144.974%0.73878%0.776SS**  trans-72.3134.4175.3-70.7176.7000111.4P133 F137P133-L135 PolarHBondContact O-N 3.02Å; L135-F137 HydrophobicContact CB-CD2 4.49Å; L135-F137 PolarHBondContact O-N 3.06Å
136P66.4Low60.1Low103 Ų103146.8 Ų146.867%0.66978%0.781SS**  trans-96.772.1-174.538.1-32.9000111.4
137F59.7Low61.2Low165 Ų165150.6 Ų150.672%0.72479%0.788SS**  trans-139.8117.1167.3-46.1-73.2000111.2L135 L139L135-F137 HydrophobicContact CB-CD2 4.49Å; L135-F137 PolarHBondContact O-N 3.06Å; F137-L139 PolarHBondContact O-N 2.64Å
138P67.6Low62Low120 Ų120154.9 Ų154.978%0.77980%0.797SS**  trans-74.7116.5173.327.8-28.7000109.8R140P138-R140 PolarHBondContact O-N 2.91Å
139L61.3Low62.2Low174 Ų174154.2 Ų154.291%0.91180%0.801SS**  trans-6191167.2-85.2157.5000110.1F137 K141F137-L139 PolarHBondContact O-N 2.64Å; L139-K141 PolarHBondContact O-N 3.33Å
140R61.9Low63Low234 Ų234162.2 Ų162.288%0.88381%0.809SS**  trans-74.2113.1166.7-83.6-170.6174.5-177.30.1109.6P138P138-R140 PolarHBondContact O-N 2.91Å
141K72.7Confident63.4Low192 Ų192164 Ų16484%0.83581%0.81SS**PPolyproline II helixtrans-63.1129.8171.4-60.4172.9-178.6177.10110.3L139 R143L139-K141 PolarHBondContact O-N 3.33Å; K141-R143 PolarHBondContact O-N 3.24Å
142P72.3Confident64.2Low131 Ų131161.5 Ų161.585%0.85181%0.806SS**PPolyproline II helixtrans-76.2125.416929.6-30.1000109.9
143R63.4Low64.1Low245 Ų245167.4 Ų167.493%0.92582%0.815SS**PPolyproline II helixtrans-84128.2168.8-67.4179.296.8161.23.1109.5K141K141-R143 PolarHBondContact O-N 3.24Å
144K58.8Low64.1Low199 Ų199171.4 Ų171.487%0.86582%0.821SS**  trans-0.3128.5161.7-68.5161.5179176.40118.6
145A64.1Low64.4Low88 Ų88175.1 Ų175.173%0.72783%0.827SS**  trans-150.6101138.100000109.5K147A145-K147 PolarHBondContact O-N 3.39Å
146H60.5Low63.9Low167 Ų167177.8 Ų177.877%0.77383%0.832SS**  trans-63.8117.1165.6-90.8-112.4000108.4Y148H146-Y148 HydrophobicContact CB-CE1 4.45Å
147K73.2Confident64.1Low194 Ų194178.5 Ų178.584%0.84384%0.837SS**  trans-104.899.3165.1-69.6-174.8179.9-178.90108A145 L149A145-K147 PolarHBondContact O-N 3.39Å; K147-L149 PolarHBondContact O-N 3.04Å
148Y68Low64.1Low203 Ų203176.6 Ų176.680%0.79684%0.841SS**  trans-72.2113.2167.617.7-97.1000108.5H146 R150H146-Y148 HydrophobicContact CB-CE1 4.45Å; Y148-R150 PolarHBondContact O-N 2.92Å
149L61.3Low63.1Low161 Ų161183 Ų18384%0.84385%0.85SS**  trans-78101.4165-89.8161.9000108.2K147 L151K147-L149 PolarHBondContact O-N 3.04Å; L149-L151 PolarHBondContact O-N 3.16Å
150R66.6Low62.9Low242 Ų242178.2 Ų178.291%0.91384%0.842SS**  trans-75.294.6169.6-163.1175.4-168.8178.42.6108Y148 S152Y148-R150 PolarHBondContact O-N 2.92Å; R150-S152 PolarHBondContact O-N 3.42Å
151L62.9Low62.5Low158 Ų158173.2 Ų173.283%0.82784%0.84SS**  trans-76111.3170.1-71.4169.9000108.4L149L149-L151 PolarHBondContact O-N 3.16Å
152S64.1Low61.3Low110 Ų110172 Ų17277%0.76984%0.843SS**  trans-57.6139172.347.60000110.6R150 K154R150-S152 PolarHBondContact O-N 3.42Å; S152-K154 PolarHBondContact O-N 3.26Å; S152-K154 VanDerWaalsContact O-N 3.11Å
153R60.9Low60.5Low250 Ų250172.6 Ų172.694%0.94384%0.838SS**  trans-59.7112.3172.7-82.2-179.5172.5-141-0.4109.2
154K61Low59.7Low196 Ų196167.5 Ų167.585%0.85283%0.825SS**PPolyproline II helixtrans-72.4122.1163.1-117175.2174.3-178.10108.1S152S152-K154 PolarHBondContact O-N 3.26Å; S152-K154 VanDerWaalsContact O-N 3.11Å
155K66.1Low59.5Low205 Ų205164.1 Ų164.189%0.89183%0.826SS**PPolyproline II helixtrans-61.8127.7172-72.7178.7175.6-175.30109.2
156F49.1Very low58.9Low196 Ų196166.9 Ų166.986%0.8682%0.824SS**PPolyproline II helixtrans-72.1136.8170.9-67.6-91000109.9
157P70.5Confident58.6Low118 Ų118164.5 Ų164.577%0.76683%0.826SS**PPolyproline II helixtrans-76.9147.4156.131.1-29.3000109.9
158P58.8Low57.3Low125 Ų125164 Ų16481%0.81283%0.827SS**PPolyproline II helixtrans-86.6144.8-173.931.7-27.8000113.5
159R46.9Very low56.5Low255 Ų255165.3 Ų165.396%0.96283%0.83SS**  trans35.1119.2151.5-69.7-166.3-174-134.35.7120.4
160G57.5Low56Low73 Ų73168.7 Ų168.775%0.75383%0.832SS**  trans-158.1131.1142.300000108.9
161P54.1Low55.1Low129 Ų129165.6 Ų165.684%0.83883%0.828SS**  trans-102.7119.9-17535-24.6000111.7
162N46.4Very low54.5Low166 Ų166165.8 Ų165.889%0.88883%0.829SS**  trans-164.9131.6139.7-151.7-78.1000108.9
163L55.7Low53.6Low145 Ų145169.7 Ų169.776%0.75983%0.832SS**  trans-95.2165.1-171.4-171.464.8000108.7
164E46.6Very low52.7Low138 Ų138166.2 Ų166.265%0.64583%0.831SS**  trans89.773.1168.8-60.2175.980.800117H166E164-H166 PolarHBondContact O-N 3.19Å; E164-H166 IonicContact OE1-CD2 2.75Å; E164-H166 IonicContact OE1-CE1 3.15Å; E164-H166 IonicContact OE1-NE2 2.75Å; E164-H166 PolarHBondContact OE1-NE2 3.33Å
165S55.9Low52.1Low128 Ų128165.5 Ų165.590%0.89583%0.831SS**  trans-77.793.7146.4-60.50000109.3S167S165-S167 PolarHBondContact O-N 3.32Å
166H50.7Low51Low145 Ų145164.2 Ų164.267%0.67183%0.828SS**  trans-68.8106.4163.5-77.6-74.4000108.8E164 H168E164-H166 PolarHBondContact O-N 3.19Å; E164-H166 IonicContact OE1-CD2 2.75Å; E164-H166 IonicContact OE1-CE1 3.15Å; E164-H166 IonicContact OE1-NE2 2.75Å; E164-H166 PolarHBondContact OE1-NE2 3.33Å; H166-H168 PolarHBondContact O-N 3.25Å
167S54.3Low51.7Low118 Ų118160.2 Ų160.283%0.82582%0.821SS**  trans-69.2101.5167.554.50000108.4S165 R169S165-S167 PolarHBondContact O-N 3.32Å; S167-R169 PolarHBondContact O-N 2.95Å
168H45.2Very low50.4Low184 Ų184160.1 Ų160.185%0.85282%0.821SS**PPolyproline II helixtrans-58.4123.3178.5-120.1-88.2000111.1H166 R170H166-H168 PolarHBondContact O-N 3.25Å; H168-R170 PolarHBondContact O-N 3.49Å
169R51.1Low49.8Very low230 Ų230158.8 Ų158.887%0.86882%0.82SS**PPolyproline II helixtrans-51.5122.1169.9-171.2-177.1-171.1-162.12.2109.8S167 E171S167-R169 PolarHBondContact O-N 2.95Å; R169-E171 PolarHBondContact O-N 2.95Å
170R52.1Low50.1Low232 Ų232152.5 Ų152.588%0.87581%0.813SS**PPolyproline II helixtrans-67.9116.6169-113.6177.5165.3129.4-4.4108.3H168H168-R170 PolarHBondContact O-N 3.49Å
171E46.9Very low49.5Very low177 Ų177156.5 Ų156.583%0.82782%0.817SS**PPolyproline II helixtrans-63.5128.8160.1-70.4-153.3137.200109.1R169R169-E171 PolarHBondContact O-N 2.95Å
172L50.9Low49.4Very low162 Ų162156.1 Ų156.185%0.84881%0.812SS**  trans-115.4109.1160.2-75.4175.3000106.1L174L172-L174 PolarHBondContact O-N 2.98Å
173F45.7Very low49.7Very low192 Ų192154.6 Ų154.684%0.84280%0.803SS**  trans-19.5118163.9-101.3-115.3000113.7Q175F173-Q175 PolarHBondContact O-N 2.95Å
174L41.7Very low49.1Very low177 Ų177156.1 Ų156.193%0.92781%0.806SS**  trans-64.3114.1154.8-76.8164000107.5L172L172-L174 PolarHBondContact O-N 2.98Å
175Q48.1Very low48.7Very low180 Ų180154.5 Ų154.584%0.84182%0.817SS**  trans-112.2104.7167.1-163.3167.848.500106.2F173F173-Q175 PolarHBondContact O-N 2.95Å
176E42.5Very low48Very low179 Ų179152.8 Ų152.884%0.83681%0.81SS**  trans-74.5137171.9-176.6-171.8121.800110
177P63.3Low47.9Very low111 Ų111149.2 Ų149.272%0.72181%0.813SS**  trans-133.7166.5145.931-12.9000112.9
178P44Very low47.2Very low117 Ų117151.2 Ų151.276%0.7681%0.809SS**  trans-92.4167.5-140.435.7-35.3000115.4
179A45.5Very low47.2Very low96 Ų96154.1 Ų154.179%0.79381%0.813SS**  trans-47.6158.2-179.300000115.6
180P54Low47.1Very low124 Ų124151 Ų15181%0.80581%0.808SS**  -136.5154.8114.235.8-24000114.5
181D45.6Very low47Very low156 Ų156145.4 Ų145.483%0.83480%0.801SS**  trans-30.5144.6163.8-83.5-46.2000114.9
182V50.7Low46.8Very low122 Ų122141.9 Ų141.974%0.73980%0.802SS**  167.5107.2120.3158.30000110.2
183L52.4Low46.3Very low134 Ų134138.9 Ų138.970%0.70280%0.801SS**  trans64.1116.7135.1-53.4-179.1000122.5
184Q43.3Very low46.5Very low177 Ų177138.7 Ų138.783%0.82780%0.803SS**  73.6104.3128.8-72.81720.700119.6
185A39.7Very low46.7Very low104 Ų104136 Ų13686%0.8680%0.796SS**  -17984.7116.200000109.5
186A40Very low46.6Very low92 Ų92132.3 Ų132.376%0.7679%0.788SS**  trans-82.9110.6164.500000108E188A186-E188 PolarHBondContact O-N 3.1Å
187G48.8Very low46.8Very low70 Ų70132.1 Ų132.172%0.72279%0.787SS**  trans-84.884.5166.800000108.9
188E40.2Very low46.1Very low160 Ų160135.9 Ų135.975%0.74880%0.795SS**  trans-73.8121.1177.1-145.9142.6175.100109.2A186A186-E188 PolarHBondContact O-N 3.1Å
189W45Very low46Very low245 Ų245139.3 Ų139.393%0.92880%0.801SS**  trans-93.9111.1172.1-78.943.8000108
190E48.9Very low46.1Very low164 Ų164139.1 Ų139.177%0.76680%0.799SS**PPolyproline II helixtrans-74.6125.6179-71.8-79119.800112.1
191P48.9Very low45.7Very low114 Ų114140.9 Ų140.974%0.7480%0.802SS**PPolyproline II helixtrans-87.5124.2158.7118.8000109.3A193P191-A193 PolarHBondContact O-N 2.73Å
192A43.8Very low45.9Very low103 Ų103138 Ų13885%0.85180%0.799SS**PPolyproline II helixtrans-48.1117.8-178.100000113.7
193A39.4Very low45.8Very low99 Ų99139.9 Ų139.982%0.81881%0.806SS**PPolyproline II helixtrans-78.1125.2168.700000110.7P191P191-A193 PolarHBondContact O-N 2.73Å
194Q51.1Low45.5Very low188 Ų188141.4 Ų141.488%0.87981%0.814SS**PPolyproline II helixtrans-88.5146161.8-72.2-164.6-7000110.1
195P44.9Very low45.6Very low120 Ų120137.4 Ų137.478%0.77981%0.81SS**PPolyproline II helixtrans-85.8169.5-173.535.2-32.3000113.5
196P46.3Very low46.3Very low104 Ų104141.5 Ų141.568%0.67581%0.812SS**  trans-99.9-177-147.436.1-27.4000114.6
197E47.7Very low47.8Very low174 Ų174140.2 Ų140.281%0.81381%0.807SS**  trans110.898.9156.9-57.9162.1-141.800115.7
198E48.4Very low48.8Very low191 Ų191142.7 Ų142.789%0.89381%0.811SS**  -179119.8103.5-107.8-169.8126.800111.7
199E41.2Very low50.3Low189 Ų189140.4 Ų140.488%0.88381%0.81SS**  trans-9.9124.5153.6-57.9-83.4141.700118.1
200A48.8Very low51.6Low92 Ų92134.1 Ų134.176%0.7680%0.801SS**  trans-169.2101.9139.900000111.1
201D44.7Very low52.7Low160 Ų160137.4 Ų137.486%0.85681%0.806SS**  trans36.5126.1139.2-72.2-62.9000122.2
202A50Low53.5Low95 Ų95137.6 Ų137.679%0.78581%0.805SS**  trans88.7124.3136.500000120.6
203D47.5Very low54.6Low163 Ų163136.9 Ų136.987%0.87279%0.792SS**  trans97122.6151.1-95-27.2000121.4
204L46.3Very low55.7Low166 Ų166136.9 Ų136.987%0.86979%0.792SS**  trans-68125.5175.9-69.7157.1000110.8
205A46.7Very low56.3Low92 Ų92132.8 Ų132.876%0.7678%0.776SS**  trans163.1135.1136.400000111.4
206E53.9Low57.3Low191 Ų191130.3 Ų130.389%0.89376%0.759SS**  trans60.2109.2160-60.1-157148.200118.3
207G70.7Confident58.1Low64 Ų64129.4 Ų129.466%0.6676%0.755SS**PPolyproline II helixtrans-57.7153.5161.300000111.1
208P71.4Confident59Low123 Ų123126.3 Ų126.380%0.79975%0.753SS**PPolyproline II helixtrans-56.2135.3-172.522.1-31.8000110.4
209P70.3Confident60.1Low111 Ų111123 Ų12372%0.72174%0.738SS**PPolyproline II helixtrans-59145.8-177.723.2-32.3000109.8W211P209-W211 PolarHBondContact O-N 3.05Å; P209-W211 VanDerWaalsContact O-N 3.12Å
210P73.5Confident61.8Low114 Ų114116.7 Ų116.774%0.7471%0.712SS**PPolyproline II helixtrans-54.1123.5174.8-19.328.9000109.1T212P210-T212 PolarHBondContact O-N 3.3Å; P210-T212 PolarHBondContact O-OG1 3.12Å
211W70.9Confident63.3Low232 Ų232114.2 Ų114.288%0.87969%0.687SS**  trans-53.6114.2-179.3172.854.5000110.1P209P209-W211 PolarHBondContact O-N 3.05Å; P209-W211 VanDerWaalsContact O-N 3.12Å
212T66.1Low65.2Low119 Ų119110 Ų11073%0.7367%0.667SS**  trans-118.5117.6177.52.60000107.9P210 A214P210-T212 PolarHBondContact O-N 3.3Å; P210-T212 PolarHBondContact O-OG1 3.12Å; T212-A214 PolarHBondContact O-N 3.21Å
213P67Low67.1Low88 Ų88109 Ų10957%0.57165%0.652SS**  trans-71.4106.3179.827.4-31.5000109.3L215P213-L215 PolarHBondContact O-N 3.46Å
214A62.8Low69.3Low98 Ų98106 Ų10681%0.8164%0.635SS**  trans-78.9102.2170.100000108.8T212 P216T212-A214 PolarHBondContact O-N 3.21Å; A214-P216 WeakPolarHBondContact O-CD 3.41Å
215L63.7Low71.4Confident103 Ų103102.4 Ų102.454%0.53962%0.616SS.*  trans-86.8116.5174.7-64176000109.2P213 T221P213-L215 PolarHBondContact O-N 3.46Å; L215-T221 HydrophobicContact CD2-CG2 4.02Å
216P64.8Low73.6Confident68 Ų68102.2 Ų102.244%0.44261%0.605SS.*  trans-67.4135.2176.925.8-31000110.6A214 S218 E219A214-P216 WeakPolarHBondContact O-CD 3.41Å; P216-S218 PolarHBondContact O-N 3.18Å; P216-E219 HydrophobicContact CG-CB 3.82Å; P216-E219 WeakPolarHBondContact CG-OE2 3.32Å; P216-E219 PolarHBondContact O-N 3.18Å
217S63.5Low75.3Confident84 Ų8495.9 Ų95.959%0.58759%0.586SS**THydrogen-bonded Turntrans-63.1-8.2-168.452.80000116.2
218S66.7Low75.5Confident109 Ų10999.1 Ų99.176%0.76259%0.588SS**THydrogen-bonded Turntrans-120.36.7-174.756.30000114P216P216-S218 PolarHBondContact O-N 3.18Å
219E71.5Confident76.2Confident123 Ų12399.3 Ų99.358%0.57559%0.592SS**  trans-101.8136.4-177.3-166.2165.5-174.300111.6P216 T221P216-E219 HydrophobicContact CG-CB 3.82Å; P216-E219 WeakPolarHBondContact CG-OE2 3.32Å; P216-E219 PolarHBondContact O-N 3.18Å; E219-T221 PolarHBondContact O-N 2.92Å
220V78.2Confident76.8Confident56 Ų5699.3 Ų99.334%0.33959%0.585SS.*  trans-82.4112.3173.9176.10000107.2V222 R235 E236 A237V220-V222 HydrophobicContact CG1-CG2 4.4Å; V220-R235 HydrophobicContact CG1-CB 4.37Å; V220-E236 CarbonylContact C-O 3.53Å; V220-E236 WeakPolarHBondContact CA-O 3.42Å; V220-A237 HydrophobicContact CG2-CB 3.94Å
221T78.3Confident77.7Confident39 Ų3997.4 Ų97.424%0.23957%0.572CS.*EExtended strand (participates in β ladder)trans-82.2128.1172.950.60000109.4L215 E219 R235 E236L215-T221 HydrophobicContact CD2-CG2 4.02Å; E219-T221 PolarHBondContact O-N 2.92Å; T221-R235 WeakPolarHBondContact O-CA 3.35Å; T221-E236 PolarHBondContact N-O 2.84Å; T221-E236 PolarHBondContact O-N 2.93Å; T221-E236 PolarHBondContact OG1-O 2.89Å
222V85.5Confident78.7Confident73 Ų7389.6 Ų89.644%0.44255%0.549SS..EExtended strand (participates in β ladder)trans-109.2115.3173.1-171.90000107.7V220 T233 F234 R235V220-V222 HydrophobicContact CG1-CG2 4.4Å; V222-T233 HydrophobicContact CG1-CG2 4.14Å; V222-F234 CarbonylContact C-O 3.51Å; V222-F234 WeakPolarHBondContact CA-O 2.87Å; V222-R235 HydrophobicContact CG1-CG 4.33Å; V222-R235 HydrophobicContact CG2-CG 4.18Å
223T90.2Very high79.9Confident74 Ų7487.9 Ų87.945%0.45454%0.539SS..EExtended strand (participates in β ladder)trans-114.4114.9177.3-52.80000109.2I225 F234T223-I225 HydrophobicContact CG2-CG1 4.1Å; T223-F234 PolarHBondContact N-O 2.83Å; T223-F234 PolarHBondContact O-N 3.47Å
224D93.6Very high80.9Confident98 Ų9889 Ų8952%0.52454%0.535SS..EExtended strand (participates in β ladder)trans-94.3105179.2-67.5-9000109T231 T233D224-T231 HydrophobicContact CB-CG2 3.98Å; D224-T233 WeakPolarHBondContact OD1-CG2 3.47Å
225I90.3Very high82.1Confident91 Ų9192.3 Ų92.347%0.46753%0.526SS..EExtended strand (participates in β ladder)trans-95.6103.7175.7-54.6-174.9000107.1T223 V232 F234T223-I225 HydrophobicContact CG2-CG1 4.1Å; I225-V232 PolarHBondContact N-O 3.29Å; I225-V232 PolarHBondContact O-N 2.85Å; I225-F234 HydrophobicContact CB-CD2 4.38Å; I225-F234 HydrophobicContact CB-CE2 4.1Å; I225-F234 HydrophobicContact CD1-CD2 3.78Å; I225-F234 HydrophobicContact CD1-CE2 3.62Å; I225-F234 HydrophobicContact CG1-CD2 3.91Å; I225-F234 HydrophobicContact CG1-CE2 3.96Å
226T92.6Very high83Confident88 Ų8893.7 Ų93.754%0.5453%0.53SS..EExtended strand (participates in β ladder)trans-97.7118.5176.2-55.80000109.6I230 T231T226-I230 CarbonylContact C-O 3.57Å; T226-I230 WeakPolarHBondContact CA-O 3.37Å; T226-T231 WeakPolarHBondContact CG2-OG1 3.11Å; T226-T231 WeakPolarHBondContact OG1-CG2 3.36Å; T226-T231 PolarHBondContact OG1-OG1 3.25Å
227A90.4Very high83.7Confident58 Ų5892 Ų9248%0.47952%0.522SS..EExtended strand (participates in β ladder)trans-140135.7174.700000109.5S229 I230A227-S229 VanDerWaalsContact C-N 3.31Å; A227-S229 PolarHBondContact O-N 2.86Å; A227-I230 PolarHBondContact N-O 3.26Å; A227-I230 PolarHBondContact O-N 2.88Å; A227-I230 VanDerWaalsContact O-O 3.07Å
228N74.3Confident84.2Confident132 Ų13294.7 Ų94.771%0.70653%0.525SS*.THydrogen-bonded Turntrans49.248.9176.8-59.6-11.3000113.3I230N228-I230 PolarHBondContact O-N 2.95Å; N228-I230 VanDerWaalsContact O-N 3.11Å
229S85.8Confident84.4Confident127 Ų12791.7 Ų91.789%0.88851%0.507SS*.THydrogen-bonded Turntrans62.811.2-178.8-51.80000115.5A227A227-S229 VanDerWaalsContact C-N 3.31Å; A227-S229 PolarHBondContact O-N 2.86Å
230I83.4Confident84.4Confident112 Ų11289.6 Ų89.657%0.57451%0.511SS*.EExtended strand (participates in β ladder)trans-111.1123.5172.9-61.5174.2000108.1T226 A227 N228 V232T226-I230 CarbonylContact C-O 3.57Å; T226-I230 WeakPolarHBondContact CA-O 3.37Å; A227-I230 PolarHBondContact N-O 3.26Å; A227-I230 PolarHBondContact O-N 2.88Å; A227-I230 VanDerWaalsContact O-O 3.07Å; N228-I230 PolarHBondContact O-N 2.95Å; N228-I230 VanDerWaalsContact O-N 3.11Å; I230-V232 HydrophobicContact CG2-CG2 4.14Å
231T93.3Very high83.8Confident74 Ų7496 Ų9645%0.45454%0.537SS..EExtended strand (participates in β ladder)trans-97.8116.4171-56.10000108.9D224 T226D224-T231 HydrophobicContact CB-CG2 3.98Å; T226-T231 WeakPolarHBondContact CG2-OG1 3.11Å; T226-T231 WeakPolarHBondContact OG1-CG2 3.36Å; T226-T231 PolarHBondContact OG1-OG1 3.25Å
232V91.1Very high83.2Confident67 Ų6797.3 Ų97.341%0.40656%0.558SS.*EExtended strand (participates in β ladder)trans-98.3115.2169.5-1730000108.1I225 I230 F234I225-V232 PolarHBondContact N-O 3.29Å; I225-V232 PolarHBondContact O-N 2.85Å; I230-V232 HydrophobicContact CG2-CG2 4.14Å; V232-F234 HydrophobicContact CB-CD2 4.38Å; V232-F234 HydrophobicContact CB-CE2 3.71Å; V232-F234 HydrophobicContact CB-CZ 4.24Å; V232-F234 HydrophobicContact CG1-CD2 3.95Å; V232-F234 HydrophobicContact CG1-CE1 4.21Å; V232-F234 HydrophobicContact CG1-CE2 3.33Å; V232-F234 HydrophobicContact CG1-CZ 3.49Å; V232-F234 VanDerWaalsContact CG1-CZ 3.49Å
233T91.5Very high82.3Confident84 Ų8497.4 Ų97.452%0.51555%0.553SS.*EExtended strand (participates in β ladder)trans-86.6105.6177.42.40000108.5V222 D224V222-T233 HydrophobicContact CG1-CG2 4.14Å; D224-T233 WeakPolarHBondContact OD1-CG2 3.47Å
234F88.2Confident81.1Confident111 Ų111101.2 Ų101.249%0.48756%0.563SS.*EExtended strand (participates in β ladder)trans-91.2123.7170.5-65-91.4000108.6V222 T223 I225 V232V222-F234 CarbonylContact C-O 3.51Å; V222-F234 WeakPolarHBondContact CA-O 2.87Å; T223-F234 PolarHBondContact N-O 2.83Å; T223-F234 PolarHBondContact O-N 3.47Å; I225-F234 HydrophobicContact CB-CD2 4.38Å; I225-F234 HydrophobicContact CB-CE2 4.1Å; I225-F234 HydrophobicContact CD1-CD2 3.78Å; I225-F234 HydrophobicContact CD1-CE2 3.62Å; I225-F234 HydrophobicContact CG1-CD2 3.91Å; I225-F234 HydrophobicContact CG1-CE2 3.96Å; V232-F234 HydrophobicContact CB-CD2 4.38Å; V232-F234 HydrophobicContact CB-CE2 3.71Å; V232-F234 HydrophobicContact CB-CZ 4.24Å; V232-F234 HydrophobicContact CG1-CD2 3.95Å; V232-F234 HydrophobicContact CG1-CE1 4.21Å; V232-F234 HydrophobicContact CG1-CE2 3.33Å; V232-F234 HydrophobicContact CG1-CZ 3.49Å; V232-F234 VanDerWaalsContact CG1-CZ 3.49Å
235R86.5Confident79.9Confident168 Ų168107.6 Ų107.663%0.63458%0.58SS**EExtended strand (participates in β ladder)trans-109.6117.9170.9-61.7-172.8171.4-141-4107.6V220 T221 V222 F243V220-R235 HydrophobicContact CG1-CB 4.37Å; T221-R235 WeakPolarHBondContact O-CA 3.35Å; V222-R235 HydrophobicContact CG1-CG 4.33Å; V222-R235 HydrophobicContact CG2-CG 4.18Å; R235-F243 HydrophobicContact CB-CE2 3.83Å; R235-F243 HydrophobicContact CB-CZ 4.34Å; R235-F243 WeakPolarHBondContact O-CE2 3.37Å
236E83.3Confident78.5Confident132 Ų132110 Ų11062%0.61759%0.594SS**EExtended strand (participates in β ladder)trans-119139.1178.4-179.2175.7-166.300108.9V220 T221V220-E236 CarbonylContact C-O 3.53Å; V220-E236 WeakPolarHBondContact CA-O 3.42Å; T221-E236 PolarHBondContact N-O 2.84Å; T221-E236 PolarHBondContact O-N 2.93Å; T221-E236 PolarHBondContact OG1-O 2.89Å
237A79.4Confident77.2Confident32 Ų32117.9 Ų117.926%0.26461%0.614SS.*  trans-144.7138.5174.900000108.9V220 A239 F243V220-A237 HydrophobicContact CG2-CB 3.94Å; A237-A239 VanDerWaalsContact C-N 3.32Å; A237-F243 HydrophobicContact CB-CB 4.32Å; A237-F243 HydrophobicContact CB-CD2 3.68Å; A237-F243 HydrophobicContact CB-CE2 4.44Å; A237-F243 HydrophobicContact CB-CG 4.34Å
238Q74.1Confident75.7Confident141 Ų141119.6 Ų119.666%0.65962%0.622SS**SBendtrans-77.4-18.6177-71.5-169.8-11.700113
239A70Confident74.8Confident46 Ų46116.6 Ų116.638%0.3862%0.622SS.*SBendtrans-121.5144.4178.300000111.5A237A237-A239 VanDerWaalsContact C-N 3.32Å
240A71.9Confident73.2Confident79 Ų79120.5 Ų120.565%0.65362%0.623SS**SBendtrans-77.5-19.8178.200000113.3G242 F243A240-G242 PolarHBondContact O-N 3.11Å; A240-F243 PolarHBondContact O-N 2.85Å
241E65.8Low71.5Confident190 Ų190128.9 Ų128.989%0.88866%0.656SS**THydrogen-bonded Turntrans-63.6115.1173.8-90.1-162.4142.800110.1
242G65.3Low70.4Confident67 Ų67131.6 Ų131.669%0.69167%0.666SS**THydrogen-bonded Turntrans92.8-1517600000116.1A240A240-G242 PolarHBondContact O-N 3.11Å
243F66.8Low69.3Low74 Ų74135 Ų13533%0.32568%0.68SS.*THydrogen-bonded Turntrans-72.1-42.5179.2-175.2-96.3000112.7R235 A237 A240R235-F243 HydrophobicContact CB-CE2 3.83Å; R235-F243 HydrophobicContact CB-CZ 4.34Å; R235-F243 WeakPolarHBondContact O-CE2 3.37Å; A237-F243 HydrophobicContact CB-CB 4.32Å; A237-F243 HydrophobicContact CB-CD2 3.68Å; A237-F243 HydrophobicContact CB-CE2 4.44Å; A237-F243 HydrophobicContact CB-CG 4.34Å; A240-F243 PolarHBondContact O-N 2.85Å
244F65.2Low68Low154 Ų154137.8 Ų137.868%0.67569%0.689SS**SBendtrans-100.5102.8175.1-60.6-74.5000108.7D246F244-D246 PolarHBondContact O-N 3.48Å; F244-D246 VanDerWaalsContact O-N 3.13Å
245R69.2Low66.8Low233 Ų233139.4 Ų139.488%0.87970%0.701SS**  trans-67.6112.8163.2-60-152.8101.2-173.37.4107.1R247R245-R247 PolarHBondContact O-N 3.11Å; R245-R247 VanDerWaalsContact O-N 3.07Å
246D60.7Low65.6Low141 Ų141137.6 Ų137.675%0.75471%0.705SS**  trans-51.8116.5173.6-93.3-27.3000109.2F244 S248F244-D246 PolarHBondContact O-N 3.48Å; F244-D246 VanDerWaalsContact O-N 3.13Å; D246-S248 PolarHBondContact O-N 3.13Å; D246-S248 VanDerWaalsContact O-N 3.11Å
247R65.8Low64.4Low253 Ų253138 Ų13896%0.95571%0.711SS**  trans-80.128173.6-68.3-173-71.4-120.9-3111.5R245 G249R245-R247 PolarHBondContact O-N 3.11Å; R245-R247 VanDerWaalsContact O-N 3.07Å; R247-G249 PolarHBondContact O-N 3.07Å
248S58.7Low63.4Low95 Ų95145.6 Ų145.666%0.66474%0.743SS**  trans-91.3100179.353.40000110.4D246D246-S248 PolarHBondContact O-N 3.13Å; D246-S248 VanDerWaalsContact O-N 3.11Å
249G54.4Low62.5Low68 Ų68145.9 Ų145.970%0.70175%0.749SS**  trans106.6130.216200000114.2R247R247-G249 PolarHBondContact O-N 3.07Å
250K52.9Low61.9Low210 Ų210154.3 Ų154.391%0.91378%0.78SS**  cis-151.8139.312-70.9166.7177.4168.10107.4
251F46.6Very low61Low287 Ų287161.1 Ų161.1100%1.25979%0.791SS**  trans-71.80153.4-88.8-88.3000109.1

Retrieved 251 of 251 residues in 50.2 ms (Link to these results)

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