A0A077ZFD7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFD7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 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
1M47Very low48.4Very low214 Ų214111.2 Ų111.2100%1.05452%0.515SS*.  0117.70-89.7-171.1-175.400107.6
2C47.3Very low48Very low10 Ų10111.2 Ų111.27%0.06852%0.519CS..PPolyproline II helixtrans-96.6143.2178.356.90000111.8E6 V8 C19 R58C2-E6 VanDerWaalsContact CA-OE2 3.29Å; C2-E6 WeakPolarHBondContact CA-OE2 3.46Å; C2-E6 HydrophobicContact CB-CB 4.31Å; C2-V8 HydrophobicContact CB-CG1 3.52Å; C2-V8 HydrophobicContact CB-CG2 4.23Å; C2-C19 HydrophobicContact CB-CB 3.98Å; C2-C19 WeakPolarHBondContact CB-SG 3.27Å; C2-C19 WeakPolarHBondContact SG-CB 3.45Å; C2-C19 CovalentContact SG-SG 2.01Å; C2-C19 PolarHBondContact SG-SG 3.35Å; C2-R58 PolarHBondContact O-NH1 2.61Å
3R49.2Very low47.8Very low196 Ų196106.2 Ų106.274%0.7451%0.505SS*.PPolyproline II helixtrans-67.2149.7173.4-62.4179.6177.5-178.9-0.9109.5E5 E6 C19R3-E5 PolarHBondContact O-N 2.9Å; R3-E6 HydrophobicContact CB-CB 4.16Å; R3-E6 PolarHBondContact N-OE2 3.26Å; R3-E6 WeakPolarHBondContact O-CB 3.3Å; R3-E6 PolarHBondContact O-N 3.44Å; R3-C19 VanDerWaalsContact O-CB 3.3Å; R3-C19 WeakPolarHBondContact O-CB 3.29Å
4P48.2Very low47.8Very low70 Ų70101.2 Ų101.246%0.45550%0.495SS..THydrogen-bonded Turntrans-48.7139.6166.3-23.633.7000109.5E6P4-E6 PolarHBondContact O-N 3.16Å; P4-E6 VanDerWaalsContact O-N 3.12Å
5E46.8Very low47.3Very low93 Ų9398.9 Ų98.944%0.43549%0.485SS..THydrogen-bonded Turntrans68.8-1.8-177.9-51163-172.900115.2R3 V7 C19 A36 K37R3-E5 PolarHBondContact O-N 2.9Å; E5-V7 PolarHBondContact O-N 3.32Å; E5-C19 PolarHBondContact N-O 3.44Å; E5-A36 WeakPolarHBondContact OE1-CA 3.2Å; E5-A36 PolarHBondContact OE1-N 3.32Å; E5-K37 PolarHBondContact OE1-N 3.46Å
6E46.1Very low46.9Very low81 Ų8197.3 Ų97.338%0.37949%0.485SS..  trans-70.7124.3172.1-166.6179.7170.500109.3C2 R3 P4 V8 C19C2-E6 VanDerWaalsContact CA-OE2 3.29Å; C2-E6 WeakPolarHBondContact CA-OE2 3.46Å; C2-E6 HydrophobicContact CB-CB 4.31Å; R3-E6 HydrophobicContact CB-CB 4.16Å; R3-E6 PolarHBondContact N-OE2 3.26Å; R3-E6 WeakPolarHBondContact O-CB 3.3Å; R3-E6 PolarHBondContact O-N 3.44Å; P4-E6 PolarHBondContact O-N 3.16Å; P4-E6 VanDerWaalsContact O-N 3.12Å; E6-V8 HydrophobicContact CB-CG1 4.39Å; E6-V8 HydrophobicContact CG-CG1 3.79Å; E6-V8 PolarHBondContact O-N 3.44Å; E6-C19 PolarHBondContact O-N 2.88Å
7V47.1Very low46.8Very low93 Ų9391.8 Ų91.856%0.56446%0.458SS*.EExtended strand (participates in β ladder)trans-80.1111.3167.1-177.70000107.5E5 P16 V17 I18E5-V7 PolarHBondContact O-N 3.32Å; V7-P16 HydrophobicContact CG1-CB 3.68Å; V7-V17 WeakPolarHBondContact CA-O 3.36Å; V7-I18 HydrophobicContact CG2-CG1 4.19Å
8V49.8Very low46.8Very low37 Ų3788.4 Ų88.422%0.22444%0.441CS..EExtended strand (participates in β ladder)trans-110.5147.4176.4-65.20000110.7C2 E6 D10 V17C2-V8 HydrophobicContact CB-CG1 3.52Å; C2-V8 HydrophobicContact CB-CG2 4.23Å; E6-V8 HydrophobicContact CB-CG1 4.39Å; E6-V8 HydrophobicContact CG-CG1 3.79Å; E6-V8 PolarHBondContact O-N 3.44Å; V8-D10 PolarHBondContact O-N 3.45Å; V8-V17 HydrophobicContact CG2-CB 4.41Å; V8-V17 PolarHBondContact N-O 3.21Å; V8-V17 PolarHBondContact O-N 3.39Å
9K50.6Low46.9Very low162 Ų16284 Ų8470%0.70442%0.419SS*.EExtended strand (participates in β ladder)trans-77.4116170.2-166.7174-174.9176.70108.5R11 G14K9-R11 PolarHBondContact O-N 3.07Å; K9-G14 WeakPolarHBondContact CE-O 3.47Å
10D51.1Low46.9Very low21 Ų2180 Ų8011%0.11240%0.4CS..  trans-63.2128.9171.5173.135.6000109.3V8 I12 S13 G14 L15 V17V8-D10 PolarHBondContact O-N 3.45Å; D10-I12 PolarHBondContact O-N 2.88Å; D10-I12 PolarHBondContact OD1-N 3.02Å; D10-S13 WeakPolarHBondContact CB-OG 3.4Å; D10-S13 VanDerWaalsContact OD2-CB 3.26Å; D10-S13 WeakPolarHBondContact OD2-CB 3.25Å; D10-S13 PolarHBondContact OD2-N 3.21Å; D10-S13 PolarHBondContact OD2-OG 3.06Å; D10-G14 WeakPolarHBondContact O-CA 3.25Å; D10-G14 PolarHBondContact O-N 3.03Å; D10-L15 PolarHBondContact N-O 3.34Å; D10-V17 HydrophobicContact CB-CG2 3.71Å
11R49.7Very low46.7Very low246 Ų24681.4 Ų81.493%0.92841%0.406SS*.THydrogen-bonded Turntrans-71.2-22.4-176.2-69-174.7178.8-172.9-1.4112.3K9K9-R11 PolarHBondContact O-N 3.07Å
12I43.6Very low46.6Very low111 Ų11174 Ų7457%0.56937%0.366SS*.THydrogen-bonded Turntrans-91.6-51.2-178.8-58.3112000112D10D10-I12 PolarHBondContact O-N 2.88Å; D10-I12 PolarHBondContact OD1-N 3.02Å
13S44.5Very low46.3Very low47 Ų4778 Ų7833%0.32938%0.382SS..THydrogen-bonded Turntrans-81.2-20.7179.162.20000113.2D10 L15D10-S13 WeakPolarHBondContact CB-OG 3.4Å; D10-S13 VanDerWaalsContact OD2-CB 3.26Å; D10-S13 WeakPolarHBondContact OD2-CB 3.25Å; D10-S13 PolarHBondContact OD2-N 3.21Å; D10-S13 PolarHBondContact OD2-OG 3.06Å; S13-L15 PolarHBondContact O-N 3.39Å; S13-L15 WeakPolarHBondContact OG-CB 3.47Å; S13-L15 PolarHBondContact OG-N 3.11Å
14G48.6Very low45.9Very low36 Ų3675.3 Ų75.337%0.37138%0.378SS..  trans71.34.5-170.700000113.7K9 D10K9-G14 WeakPolarHBondContact CE-O 3.47Å; D10-G14 WeakPolarHBondContact O-CA 3.25Å; D10-G14 PolarHBondContact O-N 3.03Å
15L39.4Very low45.3Very low67 Ų6775.2 Ų75.235%0.35138%0.379SS..  trans-91.3153.5-174.8-62.5175.9000111.9D10 S13 E62D10-L15 PolarHBondContact N-O 3.34Å; S13-L15 PolarHBondContact O-N 3.39Å; S13-L15 WeakPolarHBondContact OG-CB 3.47Å; S13-L15 PolarHBondContact OG-N 3.11Å; L15-E62 HydrophobicContact CD1-CG 4.11Å; L15-E62 WeakPolarHBondContact CD1-OE1 3.3Å
16P40.8Very low44.8Very low73 Ų7376.7 Ų76.747%0.47438%0.384SS..EExtended strand (participates in β ladder)trans-69.5133.4170.929.6-33.2000110.1V7V7-P16 HydrophobicContact CG1-CB 3.68Å
17V45.3Very low44.3Very low4 Ų482.8 Ų82.82%0.02441%0.413CS..EExtended strand (participates in β ladder)trans-128.1133.1-178.6170.50000109V7 V8 D10 A60 F61V7-V17 WeakPolarHBondContact CA-O 3.36Å; V8-V17 HydrophobicContact CG2-CB 4.41Å; V8-V17 PolarHBondContact N-O 3.21Å; V8-V17 PolarHBondContact O-N 3.39Å; D10-V17 HydrophobicContact CB-CG2 3.71Å; V17-A60 HydrophobicContact CG1-CB 3.19Å; V17-F61 VanDerWaalsContact CA-O 3.3Å; V17-F61 WeakPolarHBondContact CA-O 3.11Å
18I46.7Very low43.6Very low30 Ų3084.9 Ų84.915%0.15441%0.414CS..EExtended strand (participates in β ladder)trans-88.9130.8173.3-62.8172.6000109.5V7 L35 F61 L63V7-I18 HydrophobicContact CG2-CG1 4.19Å; I18-L35 HydrophobicContact CG2-CD2 3.74Å; I18-F61 PolarHBondContact N-O 3.42Å; I18-F61 PolarHBondContact O-N 3.11Å; I18-L63 HydrophobicContact CD1-CD1 3.37Å; I18-L63 HydrophobicContact CD1-CG 4.1Å; I18-L63 HydrophobicContact CG1-CD1 3.94Å
19C49.2Very low43Very low5 Ų587.4 Ų87.43%0.03442%0.424CS..EExtended strand (participates in β ladder)trans-84.1121.1173.4-66.60000111.8C2 R3 E5 E6C2-C19 HydrophobicContact CB-CB 3.98Å; C2-C19 WeakPolarHBondContact CB-SG 3.27Å; C2-C19 WeakPolarHBondContact SG-CB 3.45Å; C2-C19 CovalentContact SG-SG 2.01Å; C2-C19 PolarHBondContact SG-SG 3.35Å; R3-C19 VanDerWaalsContact O-CB 3.3Å; R3-C19 WeakPolarHBondContact O-CB 3.29Å; E5-C19 PolarHBondContact N-O 3.44Å; E6-C19 PolarHBondContact O-N 2.88Å
20G48Very low42.1Very low4 Ų483.2 Ų83.24%0.04141%0.406CS..EExtended strand (participates in β ladder)trans-106.8167177.200000114.2V59G20-V59 PolarHBondContact N-O 3.39Å
21Q42.3Very low41.3Very low109 Ų10982.4 Ų82.451%0.50940%0.401SS..EExtended strand (participates in β ladder)trans-114.6132.7173.2-176.5171.8-2.400110.3
22R44.2Very low40.5Very low59 Ų5972.3 Ų72.322%0.22337%0.366CS..EExtended strand (participates in β ladder)trans-78.5133175.4-180177.2-169.3-154.75111L31 Y53 G54R22-L31 HydrophobicContact CB-CD1 3.87Å; R22-L31 HydrophobicContact CB-CG 4.25Å; R22-L31 HydrophobicContact CG-CD1 3.54Å; R22-L31 HydrophobicContact CG-CG 3.89Å; R22-Y53 PolarHBondContact NH1-O 3.04Å; R22-G54 PolarHBondContact NH1-O 3.35Å
23F41.5Very low40Very low93 Ų9367.1 Ų67.141%0.40834%0.339SS..EExtended strand (participates in β ladder)trans-102.2131.9166.9-65.7-96.1000110.5S25 I32F23-S25 PolarHBondContact O-N 3.32Å; F23-I32 HydrophobicContact CB-CB 4.35Å; F23-I32 HydrophobicContact CD2-CG2 4.32Å; F23-I32 PolarHBondContact N-O 3.29Å
24E39.8Very low39.5Very low141 Ų14166.4 Ų66.466%0.65933%0.334SS*.  trans-80.4102.8171.1-71.5-177.9145.400109P55E24-P55 HydrophobicContact CG-CB 4.2Å; E24-P55 WeakPolarHBondContact OE1-CB 3.4Å; E24-P55 VanDerWaalsContact OE1-CD 3.24Å; E24-P55 WeakPolarHBondContact OE1-CD 3.42Å; E24-P55 WeakPolarHBondContact OE1-CG 3.04Å
25S37.3Very low38.7Very low67 Ų6767 Ų6747%0.46933%0.329SS..  trans-152.312.9170.956.70000116.9F23 I32F23-S25 PolarHBondContact O-N 3.32Å; S25-I32 VanDerWaalsContact OG-CD1 3.27Å; S25-I32 WeakPolarHBondContact OG-CD1 3.1Å
26F35.4Very low38.3Very low124 Ų12466.6 Ų66.654%0.54433%0.334SS..  trans-137.5124.9172.1-66.8-75.8000111K28 F30 I32F26-K28 WeakPolarHBondContact CB-O 3.38Å; F26-K28 PolarHBondContact O-N 3.27Å; F26-F30 HydrophobicContact CB-CB 4.38Å; F26-F30 HydrophobicContact CB-CD2 4.35Å; F26-F30 HydrophobicContact CD2-CB 4.16Å; F26-F30 HydrophobicContact CG-CB 4.48Å; F26-I32 HydrophobicContact CD2-CD1 4.06Å; F26-I32 HydrophobicContact CE2-CD1 3.53Å; F26-I32 HydrophobicContact CE2-CG1 4.23Å
27E34.5Very low37.8Very low209 Ų20972.3 Ų72.398%0.97735%0.352SS*.SBendtrans-64.74.7172.6-68.5-178.8152.200113
28K33.5Very low36.9Very low137 Ų13778.9 Ų78.960%0.59638%0.382SS*.SBendtrans-142.2133.6175.6-63.7-173.8178.6-175.30110F26 F30F26-K28 WeakPolarHBondContact CB-O 3.38Å; F26-K28 PolarHBondContact O-N 3.27Å; K28-F30 VanDerWaalsContact C-N 3.3Å; K28-F30 WeakPolarHBondContact O-CD2 3.24Å; K28-F30 PolarHBondContact O-N 2.93Å
29E36.6Very low36.2Very low91 Ų9181.9 Ų81.943%0.42540%0.404SS..SBendtrans3.636.8168.5-54.8-169.9130.500123.3V48 E50E29-V48 PolarHBondContact O-N 3.39Å; E29-E50 WeakPolarHBondContact OE1-CG 3.11Å
30F32.4Very low35.2Very low74 Ų7484.8 Ų84.833%0.32542%0.424SS..EExtended strand (participates in β ladder)trans-115.6136.1173.9-61.2-76.1000111.6F26 K28 L45F26-F30 HydrophobicContact CB-CB 4.38Å; F26-F30 HydrophobicContact CB-CD2 4.35Å; F26-F30 HydrophobicContact CD2-CB 4.16Å; F26-F30 HydrophobicContact CG-CB 4.48Å; K28-F30 VanDerWaalsContact C-N 3.3Å; K28-F30 WeakPolarHBondContact O-CD2 3.24Å; K28-F30 PolarHBondContact O-N 2.93Å; F30-L45 HydrophobicContact CD1-CD2 4.05Å; F30-L45 HydrophobicContact CE1-CD2 4.31Å
31L33.3Very low34.4Very low4 Ų489.5 Ų89.52%0.02146%0.457CS..EExtended strand (participates in β ladder)trans-112.9112.6168.7-169.2136.8000108.6R22 V33 A46 V48 V59 W70R22-L31 HydrophobicContact CB-CD1 3.87Å; R22-L31 HydrophobicContact CB-CG 4.25Å; R22-L31 HydrophobicContact CG-CD1 3.54Å; R22-L31 HydrophobicContact CG-CG 3.89Å; L31-V33 HydrophobicContact CD2-CB 4.48Å; L31-V33 HydrophobicContact CD2-CG2 3.27Å; L31-A46 PolarHBondContact N-O 3.14Å; L31-A46 PolarHBondContact O-N 2.94Å; L31-V48 HydrophobicContact CB-CG2 3.36Å; L31-V48 HydrophobicContact CD1-CG2 4.46Å; L31-V48 HydrophobicContact CG-CG2 4.48Å; L31-V59 HydrophobicContact CD1-CG1 4.1Å; L31-V59 HydrophobicContact CD2-CG1 4.35Å; L31-V59 HydrophobicContact CD2-CG2 4Å; L31-W70 HydrophobicContact CB-CH2 4.18Å; L31-W70 HydrophobicContact CB-CZ2 4.39Å; L31-W70 HydrophobicContact CD1-CH2 4.26Å; L31-W70 HydrophobicContact CD2-CH2 3.55Å; L31-W70 HydrophobicContact CD2-CZ2 4.3Å; L31-W70 HydrophobicContact CD2-CZ3 4.48Å; L31-W70 HydrophobicContact CG-CH2 4.18Å
32I33.1Very low33.9Very low34 Ų3488.9 Ų88.917%0.17446%0.456CS..EExtended strand (participates in β ladder)trans-81.2124.8169-63.7166.2000107.3F23 S25 F26 A43F23-I32 HydrophobicContact CB-CB 4.35Å; F23-I32 HydrophobicContact CD2-CG2 4.32Å; F23-I32 PolarHBondContact N-O 3.29Å; S25-I32 VanDerWaalsContact OG-CD1 3.27Å; S25-I32 WeakPolarHBondContact OG-CD1 3.1Å; F26-I32 HydrophobicContact CD2-CD1 4.06Å; F26-I32 HydrophobicContact CE2-CD1 3.53Å; F26-I32 HydrophobicContact CE2-CG1 4.23Å; I32-A43 HydrophobicContact CG2-CB 4.17Å
33V34.6Very low33.3Very low1 Ų189.2 Ų89.21%0.00647%0.472CS..EExtended strand (participates in β ladder)trans-108.7108.7173.5-170.50000106.5L31 L35 L44 F61L31-V33 HydrophobicContact CD2-CB 4.48Å; L31-V33 HydrophobicContact CD2-CG2 3.27Å; V33-L35 HydrophobicContact CG1-CD2 4.38Å; V33-L44 PolarHBondContact N-O 3.33Å; V33-L44 PolarHBondContact O-N 3.24Å; V33-F61 HydrophobicContact CB-CE2 4.21Å; V33-F61 HydrophobicContact CB-CZ 4.03Å; V33-F61 HydrophobicContact CG1-CD2 4.23Å; V33-F61 HydrophobicContact CG1-CE2 3.43Å; V33-F61 VanDerWaalsContact CG1-CE2 3.43Å; V33-F61 HydrophobicContact CG1-CZ 3.77Å; V33-F61 HydrophobicContact CG2-CE1 3.83Å; V33-F61 HydrophobicContact CG2-CE2 3.77Å; V33-F61 HydrophobicContact CG2-CZ 3.14Å
34S32.5Very low33.1Very low33 Ų3387 Ų8723%0.23147%0.465CS..EExtended strand (participates in β ladder)trans-80.5119.8165.9-162.70000107.8
35L32.8Very low32.8Very low49 Ų4984.8 Ų84.826%0.25746%0.457SS..  trans-92.3124.3159.6-62175000105.5I18 V33 L44I18-L35 HydrophobicContact CG2-CD2 3.74Å; V33-L35 HydrophobicContact CG1-CD2 4.38Å; L35-L44 HydrophobicContact CD1-CD1 3.6Å; L35-L44 HydrophobicContact CG-CD1 4.46Å
36A30.3Very low32.7Very low57 Ų5782.4 Ų82.447%0.47144%0.441SS..SBendtrans97.3126.817500000118.6E5 E38E5-A36 WeakPolarHBondContact OE1-CA 3.2Å; E5-A36 PolarHBondContact OE1-N 3.32Å; A36-E38 PolarHBondContact O-N 2.98Å
37K30.4Very low32.6Very low194 Ų19479.7 Ų79.784%0.84344%0.437SS*.SBendtrans-7.8-16.9154-125.7172.6179-1790122E5E5-K37 PolarHBondContact OE1-N 3.46Å
38E27.2Very low32.5Very low141 Ų14170.5 Ų70.566%0.65940%0.395SS*.SBendtrans-147.3139.6176.2-72.5-177.3163.200108.1A36 S40A36-E38 PolarHBondContact O-N 2.98Å; E38-S40 PolarHBondContact O-N 3.17Å
39P30.8Very low32.4Very low94 Ų9467.1 Ų67.161%0.6139%0.389SS*.SBendtrans-7027.7-17028.9-35.1000115.2L156P39-L156 HydrophobicContact CG-CD1 4.05Å; P39-L156 HydrophobicContact CG-CD2 4.4Å
40S28.6Very low32.2Very low66 Ų6669.8 Ų69.846%0.46240%0.401SS..SBendtrans-129.191.3-17356.10000111E38E38-S40 PolarHBondContact O-N 3.17Å
41S30.4Very low32.1Very low103 Ų10370.7 Ų70.772%0.7241%0.405SS*.SBend161.4-30.4127.159.20000113.8
42D32.8Very low31.9Very low95 Ų9574.8 Ų74.851%0.50844%0.44SS..  trans-137.680.5-168.5-62.5-63.3000112.5
43A31.8Very low32Very low67 Ų6776.2 Ų76.255%0.55444%0.443SS*.EExtended strand (participates in β ladder)trans-87.4123169.300000109.9I32I32-A43 HydrophobicContact CG2-CB 4.17Å
44L37.3Very low31.9Very low47 Ų4777.7 Ų77.725%0.24646%0.459CS..EExtended strand (participates in β ladder)trans-87.8122.4170.6-77.5162.9000109.1V33 L35 Y68V33-L44 PolarHBondContact N-O 3.33Å; V33-L44 PolarHBondContact O-N 3.24Å; L35-L44 HydrophobicContact CD1-CD1 3.6Å; L35-L44 HydrophobicContact CG-CD1 4.46Å; L44-Y68 HydrophobicContact CD1-CD1 4.08Å; L44-Y68 HydrophobicContact CD1-CE1 3.73Å; L44-Y68 HydrophobicContact CD1-CE2 4.23Å; L44-Y68 HydrophobicContact CD1-CG 4.48Å; L44-Y68 HydrophobicContact CD2-CD2 3.98Å; L44-Y68 HydrophobicContact CD2-CE2 3.69Å
45L32.5Very low31.9Very low94 Ų9480.2 Ų80.249%0.49248%0.475SS..EExtended strand (participates in β ladder)trans-84.7121.8170.6-146.198.2000108.4F30F30-L45 HydrophobicContact CD1-CD2 4.05Å; F30-L45 HydrophobicContact CE1-CD2 4.31Å
46A35.3Very low31.9Very low16 Ų1681 Ų8113%0.13249%0.494CS..EExtended strand (participates in β ladder)trans-130.8125.2179.800000109.6L31 W70L31-A46 PolarHBondContact N-O 3.14Å; L31-A46 PolarHBondContact O-N 2.94Å; A46-W70 HydrophobicContact CB-CH2 4.42Å; A46-W70 HydrophobicContact CB-CZ2 3.31Å
47S33.7Very low32.3Very low67 Ų6781 Ų8147%0.46949%0.487SS..EExtended strand (participates in β ladder)trans-70.3135.8176.967.20000109.5W70S47-W70 PolarHBondContact O-NE1 3.48Å
48V32.9Very low32.5Very low16 Ų1677.5 Ų77.510%0.09747%0.468CS..  trans-115.8123.2-179.3-175.20000109.3E29 L31 Y53 W70E29-V48 PolarHBondContact O-N 3.39Å; L31-V48 HydrophobicContact CB-CG2 3.36Å; L31-V48 HydrophobicContact CD1-CG2 4.46Å; L31-V48 HydrophobicContact CG-CG2 4.48Å; V48-Y53 HydrophobicContact CB-CE2 4.44Å; V48-Y53 HydrophobicContact CG1-CD2 3.98Å; V48-Y53 HydrophobicContact CG1-CE1 4.23Å; V48-Y53 HydrophobicContact CG1-CE2 3.11Å; V48-Y53 WeakPolarHBondContact CG1-OH 3.14Å; V48-W70 HydrophobicContact CG2-CH2 4Å; V48-W70 HydrophobicContact CG2-CZ2 3.68Å
49S32.1Very low33.1Very low67 Ų6771.3 Ų71.347%0.46944%0.44SS..  trans-72.9140.2170.558.20000110.7F51 Y53S49-F51 PolarHBondContact O-N 3.26Å; S49-Y53 PolarHBondContact O-OH 3.31Å; S49-Y53 VanDerWaalsContact O-OH 3.08Å
50E31.1Very low33.3Very low146 Ų14667.5 Ų67.568%0.68242%0.416SS*.SBendtrans-3597.2175.5-67.8-176.6153.300113.8E29E29-E50 WeakPolarHBondContact OE1-CG 3.11Å
51F31.3Very low33.8Very low94 Ų9465 Ų6541%0.41240%0.397SS..  trans-137.8155.9156.6-72.5-84.9000107.5S49 Y53S49-F51 PolarHBondContact O-N 3.26Å; F51-Y53 HydrophobicContact CB-CE1 4.16Å; F51-Y53 HydrophobicContact CB-CE2 3.93Å; F51-Y53 WeakPolarHBondContact CB-OH 3.04Å; F51-Y53 WeakPolarHBondContact O-CD2 2.74Å; F51-Y53 WeakPolarHBondContact O-CE2 3.3Å; F51-Y53 PolarHBondContact O-N 2.93Å; F51-Y53 VanDerWaalsContact O-N 3.11Å
52A28.4Very low33.9Very low90 Ų9060.6 Ų60.674%0.74437%0.365SS*.  trans-66.8111.9-176.700000110.8
53Y35.5Very low33.7Very low63 Ų6360.3 Ų60.325%0.24736%0.363CS..  trans-121.7118.5-177.4-54.1-75000112.5R22 V48 S49 F51 L73R22-Y53 PolarHBondContact NH1-O 3.04Å; V48-Y53 HydrophobicContact CB-CE2 4.44Å; V48-Y53 HydrophobicContact CG1-CD2 3.98Å; V48-Y53 HydrophobicContact CG1-CE1 4.23Å; V48-Y53 HydrophobicContact CG1-CE2 3.11Å; V48-Y53 WeakPolarHBondContact CG1-OH 3.14Å; S49-Y53 PolarHBondContact O-OH 3.31Å; S49-Y53 VanDerWaalsContact O-OH 3.08Å; F51-Y53 HydrophobicContact CB-CE1 4.16Å; F51-Y53 HydrophobicContact CB-CE2 3.93Å; F51-Y53 WeakPolarHBondContact CB-OH 3.04Å; F51-Y53 WeakPolarHBondContact O-CD2 2.74Å; F51-Y53 WeakPolarHBondContact O-CE2 3.3Å; F51-Y53 PolarHBondContact O-N 2.93Å; F51-Y53 VanDerWaalsContact O-N 3.11Å; Y53-L73 HydrophobicContact CE1-CD1 3.82Å; Y53-L73 HydrophobicContact CE1-CD2 4.39Å
54G31.3Very low33.7Very low33 Ų3360.9 Ų60.934%0.3435%0.354SS..  trans-90167165.400000113.5R22 N57R22-G54 PolarHBondContact NH1-O 3.35Å; G54-N57 PolarHBondContact N-ND2 3.16Å; G54-N57 PolarHBondContact O-ND2 3.36Å
55P33.2Very low33.2Very low86 Ų8665 Ų6556%0.55838%0.384SS*.THydrogen-bonded Turntrans-58.1148.1166.318.3-26.9000111.7E24 N57E24-P55 HydrophobicContact CG-CB 4.2Å; E24-P55 WeakPolarHBondContact OE1-CB 3.4Å; E24-P55 VanDerWaalsContact OE1-CD 3.24Å; E24-P55 WeakPolarHBondContact OE1-CD 3.42Å; E24-P55 WeakPolarHBondContact OE1-CG 3.04Å; P55-N57 VanDerWaalsContact C-N 3.34Å; P55-N57 PolarHBondContact O-N 3.25Å
56G32.4Very low32.8Very low64 Ų6467.7 Ų67.766%0.6640%0.398SS*.THydrogen-bonded Turntrans84.6-0177.800000115.8R58G56-R58 PolarHBondContact O-N 3.18Å
57N39.9Very low32.6Very low59 Ų5971.3 Ų71.332%0.31641%0.412SS..  trans-68.1129.7174.1-76.5-18000111.5G54 P55G54-N57 PolarHBondContact N-ND2 3.16Å; G54-N57 PolarHBondContact O-ND2 3.36Å; P55-N57 VanDerWaalsContact C-N 3.34Å; P55-N57 PolarHBondContact O-N 3.25Å
58R34.3Very low32.4Very low120 Ų12075 Ų7545%0.45342%0.417SS..EExtended strand (participates in β ladder)trans-86.9140177.8-61.6-175.2-170.2-179.36110.1C2 G56C2-R58 PolarHBondContact O-NH1 2.61Å; G56-R58 PolarHBondContact O-N 3.18Å
59V39.3Very low32.4Very low10 Ų1080.6 Ų80.66%0.06144%0.436CS..EExtended strand (participates in β ladder)trans-123.5146-177.4-76.20000110.4G20 L31 F61 W70G20-V59 PolarHBondContact N-O 3.39Å; L31-V59 HydrophobicContact CD1-CG1 4.1Å; L31-V59 HydrophobicContact CD2-CG1 4.35Å; L31-V59 HydrophobicContact CD2-CG2 4Å; V59-F61 HydrophobicContact CB-CE2 4.02Å; V59-F61 HydrophobicContact CB-CZ 3.96Å; V59-F61 HydrophobicContact CG2-CE2 3.6Å; V59-F61 HydrophobicContact CG2-CZ 3.71Å; V59-W70 HydrophobicContact CB-CH2 4.41Å; V59-W70 HydrophobicContact CB-CZ3 3.75Å; V59-W70 HydrophobicContact CG1-CH2 4.1Å; V59-W70 HydrophobicContact CG1-CZ3 3.57Å
60A34.8Very low32.4Very low15 Ų1582 Ų8212%0.12443%0.431CS..EExtended strand (participates in β ladder)trans-118.1126.3-174.700000109.5V17 I71V17-A60 HydrophobicContact CG1-CB 3.19Å; A60-I71 WeakPolarHBondContact CB-O 3.29Å; A60-I71 PolarHBondContact O-N 3.33Å
61F39.2Very low32.2Very low13 Ų1376.5 Ų76.56%0.05741%0.406CS..EExtended strand (participates in β ladder)trans-109.6130.9178.4-60-80.3000111.1V17 I18 V33 V59 W70V17-F61 VanDerWaalsContact CA-O 3.3Å; V17-F61 WeakPolarHBondContact CA-O 3.11Å; I18-F61 PolarHBondContact N-O 3.42Å; I18-F61 PolarHBondContact O-N 3.11Å; V33-F61 HydrophobicContact CB-CE2 4.21Å; V33-F61 HydrophobicContact CB-CZ 4.03Å; V33-F61 HydrophobicContact CG1-CD2 4.23Å; V33-F61 HydrophobicContact CG1-CE2 3.43Å; V33-F61 VanDerWaalsContact CG1-CE2 3.43Å; V33-F61 HydrophobicContact CG1-CZ 3.77Å; V33-F61 HydrophobicContact CG2-CE1 3.83Å; V33-F61 HydrophobicContact CG2-CE2 3.77Å; V33-F61 HydrophobicContact CG2-CZ 3.14Å; V59-F61 HydrophobicContact CB-CE2 4.02Å; V59-F61 HydrophobicContact CB-CZ 3.96Å; V59-F61 HydrophobicContact CG2-CE2 3.6Å; V59-F61 HydrophobicContact CG2-CZ 3.71Å; F61-W70 HydrophobicContact CE1-CD2 4.16Å; F61-W70 AromaticContact CE1-CE3 3.95Å; F61-W70 HydrophobicContact CE1-CE3 3.95Å; F61-W70 HydrophobicContact CE1-CH2 4.02Å; F61-W70 HydrophobicContact CE1-CZ2 4.2Å; F61-W70 AromaticContact CE1-CZ3 3.89Å; F61-W70 HydrophobicContact CE1-CZ3 3.89Å; F61-W70 HydrophobicContact CZ-CE3 4.33Å; F61-W70 AromaticContact CZ-CH2 3.99Å; F61-W70 HydrophobicContact CZ-CH2 3.99Å; F61-W70 AromaticContact CZ-CZ3 3.86Å; F61-W70 HydrophobicContact CZ-CZ3 3.86Å
62E32.2Very low32.2Very low11 Ų1177.7 Ų77.75%0.05141%0.408CS..EExtended strand (participates in β ladder)trans-85.6120.2166.3-171-168.8-170.600109.1L15 Q64 R69 I71L15-E62 HydrophobicContact CD1-CG 4.11Å; L15-E62 WeakPolarHBondContact CD1-OE1 3.3Å; E62-Q64 HydrophobicContact CG-CG 4.05Å; E62-Q64 PolarHBondContact O-N 3.27Å; E62-Q64 PolarHBondContact OE1-NE2 2.77Å; E62-R69 HydrophobicContact CB-CB 4.46Å; E62-R69 PolarHBondContact N-O 3.27Å; E62-R69 VanDerWaalsContact N-O 3.08Å; E62-R69 PolarHBondContact O-N 2.74Å; E62-I71 HydrophobicContact CB-CB 4.21Å; E62-I71 HydrophobicContact CB-CD1 3.58Å; E62-I71 HydrophobicContact CB-CG1 3.63Å; E62-I71 HydrophobicContact CG-CD1 3.71Å; E62-I71 HydrophobicContact CG-CG1 4.33Å; E62-I71 WeakPolarHBondContact OE2-CD1 3.16Å
63L29.5Very low32.2Very low88 Ų8877.3 Ų77.346%0.46139%0.393SS..EExtended strand (participates in β ladder)trans-83.3101169.2-83.1162.3000108.8I18 Y68I18-L63 HydrophobicContact CD1-CD1 3.37Å; I18-L63 HydrophobicContact CD1-CG 4.1Å; I18-L63 HydrophobicContact CG1-CD1 3.94Å; L63-Y68 HydrophobicContact CD2-CD1 4.47Å; L63-Y68 HydrophobicContact CD2-CE1 3.84Å
64Q30.9Very low31.8Very low79 Ų7980.5 Ų80.537%0.36941%0.413SS..EExtended strand (participates in β ladder)trans-100150.5161.1-64.7-162.5-9.200109.7E62 L66 H67E62-Q64 HydrophobicContact CG-CG 4.05Å; E62-Q64 PolarHBondContact O-N 3.27Å; E62-Q64 PolarHBondContact OE1-NE2 2.77Å; Q64-L66 PolarHBondContact O-N 3.25Å; Q64-H67 PolarHBondContact N-O 3.37Å; Q64-H67 PolarHBondContact O-N 3.38Å
65P26.4Very low31.5Very low133 Ų13384.3 Ų84.386%0.86443%0.432SS*.THydrogen-bonded Turntrans-55.5-12.1-171.2-25.832.9000116.5
66L25.5Very low31.1Very low151 Ų15189 Ų8979%0.79145%0.449SS*.THydrogen-bonded Turntrans-143.33.3-176.8-74.2165000113.9Q64Q64-L66 PolarHBondContact O-N 3.25Å
67H30.8Very low30.7Very low93 Ų9392 Ų9243%0.43145%0.448SS..EExtended strand (participates in β ladder)trans-149.8127.1-174-57.7100.2000110.9Q64 R69Q64-H67 PolarHBondContact N-O 3.37Å; Q64-H67 PolarHBondContact O-N 3.38Å; H67-R69 PolarHBondContact O-N 2.86Å
68Y29.5Very low29.8Very low144 Ų14494.2 Ų94.257%0.56548%0.475SS*.EExtended strand (participates in β ladder)trans-80.4113.3160.3-65.5-78.6000107.4L44 L63L44-Y68 HydrophobicContact CD1-CD1 4.08Å; L44-Y68 HydrophobicContact CD1-CE1 3.73Å; L44-Y68 HydrophobicContact CD1-CE2 4.23Å; L44-Y68 HydrophobicContact CD1-CG 4.48Å; L44-Y68 HydrophobicContact CD2-CD2 3.98Å; L44-Y68 HydrophobicContact CD2-CE2 3.69Å; L63-Y68 HydrophobicContact CD2-CD1 4.47Å; L63-Y68 HydrophobicContact CD2-CE1 3.84Å
69R32.1Very low29.5Very low133 Ų13392 Ų9250%0.50248%0.478SS..EExtended strand (participates in β ladder)trans-110132.5174.4-165.8179-174.3-178.13.2108.8E62 H67 I71E62-R69 HydrophobicContact CB-CB 4.46Å; E62-R69 PolarHBondContact N-O 3.27Å; E62-R69 VanDerWaalsContact N-O 3.08Å; E62-R69 PolarHBondContact O-N 2.74Å; H67-R69 PolarHBondContact O-N 2.86Å; R69-I71 PolarHBondContact O-N 3.09Å
70W31.8Very low28.7Very low96 Ų96101.7 Ų101.736%0.36452%0.519SS..EExtended strand (participates in β ladder)trans-64.8119.8169.3-76.4102.1000109.8L31 A46 S47 V48 V59 F61L31-W70 HydrophobicContact CB-CH2 4.18Å; L31-W70 HydrophobicContact CB-CZ2 4.39Å; L31-W70 HydrophobicContact CD1-CH2 4.26Å; L31-W70 HydrophobicContact CD2-CH2 3.55Å; L31-W70 HydrophobicContact CD2-CZ2 4.3Å; L31-W70 HydrophobicContact CD2-CZ3 4.48Å; L31-W70 HydrophobicContact CG-CH2 4.18Å; A46-W70 HydrophobicContact CB-CH2 4.42Å; A46-W70 HydrophobicContact CB-CZ2 3.31Å; S47-W70 PolarHBondContact O-NE1 3.48Å; V48-W70 HydrophobicContact CG2-CH2 4Å; V48-W70 HydrophobicContact CG2-CZ2 3.68Å; V59-W70 HydrophobicContact CB-CH2 4.41Å; V59-W70 HydrophobicContact CB-CZ3 3.75Å; V59-W70 HydrophobicContact CG1-CH2 4.1Å; V59-W70 HydrophobicContact CG1-CZ3 3.57Å; F61-W70 HydrophobicContact CE1-CD2 4.16Å; F61-W70 AromaticContact CE1-CE3 3.95Å; F61-W70 HydrophobicContact CE1-CE3 3.95Å; F61-W70 HydrophobicContact CE1-CH2 4.02Å; F61-W70 HydrophobicContact CE1-CZ2 4.2Å; F61-W70 AromaticContact CE1-CZ3 3.89Å; F61-W70 HydrophobicContact CE1-CZ3 3.89Å; F61-W70 HydrophobicContact CZ-CE3 4.33Å; F61-W70 AromaticContact CZ-CH2 3.99Å; F61-W70 HydrophobicContact CZ-CH2 3.99Å; F61-W70 AromaticContact CZ-CZ3 3.86Å; F61-W70 HydrophobicContact CZ-CZ3 3.86Å
71I28.8Very low28.3Very low31 Ų31110.5 Ų110.516%0.15955%0.55CS..  trans-122.1103.6169.9-69.7-160.2000108.9A60 E62 R69A60-I71 WeakPolarHBondContact CB-O 3.29Å; A60-I71 PolarHBondContact O-N 3.33Å; E62-I71 HydrophobicContact CB-CB 4.21Å; E62-I71 HydrophobicContact CB-CD1 3.58Å; E62-I71 HydrophobicContact CB-CG1 3.63Å; E62-I71 HydrophobicContact CG-CD1 3.71Å; E62-I71 HydrophobicContact CG-CG1 4.33Å; E62-I71 WeakPolarHBondContact OE2-CD1 3.16Å; R69-I71 PolarHBondContact O-N 3.09Å
72R30.3Very low27.7Very low119 Ų119118.9 Ų118.945%0.44959%0.589SS.*  trans61.6126.9155.1-102.7-176.5169.2152.3-2.6119.6
73L27.5Very low27.3Very low83 Ų83122.6 Ų122.644%0.43562%0.621SS.*PPolyproline II helixtrans-72.5128.1152.6-73.5126.8000110.1Y53Y53-L73 HydrophobicContact CE1-CD1 3.82Å; Y53-L73 HydrophobicContact CE1-CD2 4.39Å
74L27.1Very low27.3Very low129 Ų129122 Ų12268%0.67563%0.625SS**SBendtrans-67.7144.9162.6-70.1161.5000108.6
75P26Very low27.2Very low113 Ų113126 Ų12673%0.73464%0.643SS**SBend-92.8140.9-117.633.2-34.9000114.9
76M23.7Very low27.2Very low184 Ų184124 Ų12491%0.90663%0.631SS**SBendtrans-156.4-2.5149.1-90.4-147.674.600116.7
77I24.6Very low27.3Very low127 Ų127122.1 Ų122.165%0.65163%0.626SS**  trans-140127.6-176.3-51.3177.7000110.4
78A21.8Very low27.1Very low106 Ų106124.2 Ų124.288%0.87664%0.636SS**  trans-71.7124.1177.200000110.6
79S26.7Very low27Very low73 Ų73124 Ų12451%0.5164%0.644SS.*  trans-138.3141.2170.445.90000111.6
80K24Very low26.6Very low215 Ų215125.2 Ų125.294%0.93566%0.656SS**  trans-77.7143.7-173.7-131.6176.4179.5-1760109.7
81W26.7Very low26.2Very low200 Ų200131.7 Ų131.776%0.75868%0.682SS**  trans-87.3130.7177.2-69.780.6000110.8
82E25.1Very low25.9Very low189 Ų189136.6 Ų136.688%0.88371%0.707SS**  trans-115.5128.9157.7-72.4-173.5171.800108.4
83A25.6Very low25.5Very low88 Ų88134.7 Ų134.773%0.72772%0.724SS**  trans-79.9122.1-179.800000109.7
84S28.4Very low25.3Very low77 Ų77133.9 Ų133.954%0.53874%0.736SS.*  trans-106.2126.7162.5710000109.9
85H28.6Very low25.1Very low162 Ų162134.3 Ų134.375%0.7574%0.744SS**  trans-103.3110.2174.3-65.7-76.8000107.8V87H85-V87 HydrophobicContact CB-CG2 4.31Å; H85-V87 PolarHBondContact O-N 2.93Å
86C27.6Very low25Very low90 Ų90137.6 Ų137.661%0.60875%0.749SS**  trans-86.5101.8164.4-72.90000107.8
87V26.8Very low25Very low113 Ų113138.5 Ų138.569%0.68575%0.752SS**  trans-93.1142.8171.8-1660000107.6H85H85-V87 HydrophobicContact CB-CG2 4.31Å; H85-V87 PolarHBondContact O-N 2.93Å
88Q27.4Very low25.1Very low136 Ų136137.3 Ų137.364%0.63675%0.752SS**THydrogen-bonded Turntrans-49140.8-178.2-69.9172-23.200112.9
89N26Very low25.1Very low140 Ų140136.5 Ų136.575%0.74975%0.745SS**THydrogen-bonded Turntrans83.118.7162.3-55.7-29.1000120.8Y91N89-Y91 PolarHBondContact O-N 2.97Å
90E24.5Very low25Very low158 Ų158143.6 Ų143.674%0.73876%0.762SS**  trans-95.5104.8176.8-71.7-173.716600113.7
91Y22.9Very low25Very low232 Ų232136.2 Ų136.291%0.9175%0.748SS**  trans-75.9118.2155.1-80-99.2000108.1N89N89-Y91 PolarHBondContact O-N 2.97Å
92I23.7Very low24.9Very low135 Ų135132.4 Ų132.469%0.69274%0.741SS**  trans-125.494.6164.3-55.5179.8000107.8
93G21Very low24.9Very low79 Ų79130.8 Ų130.881%0.81473%0.732SS**  trans-72.3144.115800000109.5
94G22.6Very low25Very low65 Ų65132.7 Ų132.767%0.6773%0.729SS**  trans158.698.6177.300000111.3
95T23.2Very low25Very low138 Ų138137.3 Ų137.385%0.84774%0.741SS**  trans-73.6122.4162.545.60000108.8
96E24.2Very low25Very low183 Ų183132.9 Ų132.986%0.85573%0.728SS**  trans-168.4129.1151.1-107.7169.6-15300106P98E96-P98 WeakPolarHBondContact O-CD 3.36Å
97E24Very low24.9Very low203 Ų203135.5 Ų135.595%0.94974%0.735SS**  trans-50.4131.9-178.9-65.7175.6139.500111.7
98P26Very low24.9Very low102 Ų102134.7 Ų134.766%0.66273%0.73SS**  trans-127.7124.9148.818.93.4000109.3E96 Y100E96-P98 WeakPolarHBondContact O-CD 3.36Å; P98-Y100 PolarHBondContact O-N 3.47Å; P98-Y100 VanDerWaalsContact O-N 3.12Å
99A23.1Very low24.7Very low89 Ų89133.2 Ų133.274%0.73674%0.741SS**SBendtrans-42.3118.4165.500000110.3
100Y23.5Very low24.6Very low221 Ų221131.2 Ų131.287%0.86773%0.727SS**SBendtrans55.279.9167.2-53.9-85.3000115.7P98P98-Y100 PolarHBondContact O-N 3.47Å; P98-Y100 VanDerWaalsContact O-N 3.12Å
101G23.3Very low24.6Very low61 Ų61132.1 Ų132.163%0.62973%0.729SS**  trans-161.5105.716900000113.1
102L25.4Very low24.6Very low119 Ų119126.9 Ų126.962%0.62372%0.723SS**PPolyproline II helixtrans-71.9123.2175.5-89.3152.1000111.1
103K25.6Very low24.6Very low156 Ų156123.9 Ų123.968%0.67873%0.725SS**PPolyproline II helixtrans-90.5130167.4-77.5-177.5179.2175.10110.3
104L27.2Very low24.7Very low128 Ų128129.6 Ų129.667%0.6773%0.728SS**PPolyproline II helixtrans-79.8129.4170.4-87.8137.4000110.3
105H28.3Very low24.8Very low173 Ų173134.5 Ų134.580%0.80173%0.734SS**PPolyproline II helixtrans-103.3122.7172.1-68.9-87.9000110.5
106C28Very low24.8Very low69 Ų69133 Ų13347%0.46673%0.726SS.*  trans-96.8114.5169-71.50000109.9V108C106-V108 PolarHBondContact O-N 3.45Å
107L26.1Very low24.7Very low146 Ų146130.1 Ų130.176%0.76473%0.725SS**  trans-81.1109.6167.8-87.7154.9000109
108V25.9Very low24.7Very low96 Ų96125.9 Ų125.958%0.58272%0.715SS**  trans-101.7116.7175.5-178.90000109.2C106 Q110C106-V108 PolarHBondContact O-N 3.45Å; V108-Q110 HydrophobicContact CG1-CG 4.02Å
109A24.6Very low24.6Very low104 Ų104131 Ų13186%0.8673%0.726SS**  trans-91.9111.5161.900000109.1
110Q23.7Very low24.7Very low99 Ų99133.2 Ų133.246%0.46373%0.725SS.*  trans-113.8145.2163.5-85.4-16812.400106.8V108V108-Q110 HydrophobicContact CG1-CG 4.02Å
111K24.1Very low24.7Very low176 Ų176126.2 Ų126.277%0.76571%0.708SS**  cis-179.8-169.240.7-129174.5-173.1176.60106
112P23.7Very low24.8Very low122 Ų122127.5 Ų127.579%0.79271%0.708SS**  -118148.9-66.729-9.3000112.8
113G23.3Very low24.8Very low72 Ų72127 Ų12774%0.74270%0.7SS**  trans130.688.3163.700000116
114F23.2Very low24.8Very low199 Ų199124.2 Ų124.287%0.87369%0.692SS**  trans46.8100.6149.6-94.1-97.9000121.1
115H23.8Very low24.8Very low169 Ų169123 Ų12378%0.78268%0.682SS**  trans34.3152.2131.4-71.3-53000124
116P23.5Very low24.8Very low105 Ų105117.5 Ų117.568%0.68266%0.658SS**SBendcis-139.5103.1-27.934.5-13.3000112.1
117C22.1Very low24.7Very low123 Ų123118 Ų11883%0.83167%0.667SS**  trans-169.197156.1-108.70000106.9K119C117-K119 PolarHBondContact O-N 3.37Å
118P24.9Very low24.8Very low114 Ų114113.3 Ų113.374%0.7464%0.643SS**  trans-69.8108174.127.9-27.7000107.2I120P118-I120 HydrophobicContact CB-CG1 4.44Å; P118-I120 PolarHBondContact O-N 2.76Å
119K23.2Very low24.9Very low209 Ų209114.5 Ų114.591%0.90965%0.652SS**  trans-57.599.2152-84.8-177.71741800105.8C117 S121C117-K119 PolarHBondContact O-N 3.37Å; K119-S121 PolarHBondContact O-N 2.88Å; K119-S121 VanDerWaalsContact O-N 3.09Å
120I24.9Very low24.9Very low137 Ų137118.9 Ų118.970%0.70365%0.646SS**  trans-72.4101.9172.6-60.8173.5000105.6P118 S122P118-I120 HydrophobicContact CB-CG1 4.44Å; P118-I120 PolarHBondContact O-N 2.76Å; I120-S122 PolarHBondContact O-N 3.41Å
121S23.9Very low25.1Very low74 Ų74117.5 Ų117.552%0.51764%0.639SS.*  trans-78.9110.6158.575.70000106.5K119 K123K119-S121 PolarHBondContact O-N 2.88Å; K119-S121 VanDerWaalsContact O-N 3.09Å; S121-K123 PolarHBondContact O-N 3Å
122S25.5Very low25.1Very low88 Ų88114.5 Ų114.562%0.61564%0.64SS**  trans-67.296.8179.6-27.50000109.3I120I120-S122 PolarHBondContact O-N 3.41Å
123K25.5Very low25Very low109 Ų109116.3 Ų116.347%0.47464%0.636SS.*  trans-94.5111.2165.3-72.4-172.6177.8-1750107.6S121 F125S121-K123 PolarHBondContact O-N 3Å; K123-F125 HydrophobicContact CB-CD2 4.28Å; K123-F125 HydrophobicContact CB-CE2 3.59Å; K123-F125 HydrophobicContact CB-CZ 3.93Å; K123-F125 HydrophobicContact CD-CZ 4.23Å; K123-F125 VanDerWaalsContact O-CD2 3.29Å; K123-F125 WeakPolarHBondContact O-CD2 3.14Å; K123-F125 PolarHBondContact O-N 2.97Å
124L26.5Very low25.2Very low96 Ų96117.5 Ų117.550%0.50363%0.631SS.*  trans-75.8117.7170.4-174.472.6000107.9I126 I137L124-I126 HydrophobicContact CD2-CD1 4.01Å; L124-I126 HydrophobicContact CD2-CG1 4.13Å; L124-I126 HydrophobicContact CG-CG1 4.17Å; L124-I137 HydrophobicContact CD2-CD1 4.39Å
125F27.2Very low25.3Very low103 Ų103109.8 Ų109.845%0.45260%0.598SS.*EExtended strand (participates in β ladder)trans-101.3113.6172.9-66.4-87.9000108.5K123K123-F125 HydrophobicContact CB-CD2 4.28Å; K123-F125 HydrophobicContact CB-CE2 3.59Å; K123-F125 HydrophobicContact CB-CZ 3.93Å; K123-F125 HydrophobicContact CD-CZ 4.23Å; K123-F125 VanDerWaalsContact O-CD2 3.29Å; K123-F125 WeakPolarHBondContact O-CD2 3.14Å; K123-F125 PolarHBondContact O-N 2.97Å
126I26.4Very low25.4Very low58 Ų58107.8 Ų107.830%0.29759%0.592SS.*EExtended strand (participates in β ladder)trans-103.2109.4169.1-56.2177.2000106.2L124 I137 V166L124-I126 HydrophobicContact CD2-CD1 4.01Å; L124-I126 HydrophobicContact CD2-CG1 4.13Å; L124-I126 HydrophobicContact CG-CG1 4.17Å; I126-I137 HydrophobicContact CD1-CD1 4.24Å; I126-V166 HydrophobicContact CD1-CG1 4.48Å
127A27.2Very low25.6Very low80 Ų80105.7 Ų105.766%0.66157%0.574SS**  trans-89.2112.5170.500000108.5P129A127-P129 WeakPolarHBondContact O-CD 3.5Å
128D28.4Very low25.7Very low47 Ų47102 Ų10225%0.25156%0.556SS.*  trans-84.8113.9167.2-178.5-6.2000108R130 K131D128-R130 PolarHBondContact O-N 2.93Å; D128-R130 WeakPolarHBondContact OD1-CB 2.92Å; D128-R130 PolarHBondContact OD1-N 2.99Å; D128-K131 HydrophobicContact CB-CB 4.22Å; D128-K131 HydrophobicContact CB-CD 4.35Å; D128-K131 HydrophobicContact CB-CG 4.28Å; D128-K131 PolarHBondContact O-N 3.18Å; D128-K131 VanDerWaalsContact O-O 3.12Å
129P26.9Very low25.7Very low120 Ų120101.1 Ų101.178%0.77955%0.546SS*.THydrogen-bonded Turntrans-63.5-7.9179.725.2-32.9000113.7A127A127-P129 WeakPolarHBondContact O-CD 3.5Å
130R26.2Very low25.9Very low197 Ų19798.1 Ų98.174%0.74354%0.539SS*.THydrogen-bonded Turntrans-95-3.4174.4-60.3-176.6-116.6-177.71.4113.7D128D128-R130 PolarHBondContact O-N 2.93Å; D128-R130 WeakPolarHBondContact OD1-CB 2.92Å; D128-R130 PolarHBondContact OD1-N 2.99Å
131K26.5Very low25.9Very low70 Ų7099.9 Ų99.930%0.30454%0.542SS..  trans-124.4121.5-179.3-63.5-177.7-176.8-179.60109.6D128 F133 S170D128-K131 HydrophobicContact CB-CB 4.22Å; D128-K131 HydrophobicContact CB-CD 4.35Å; D128-K131 HydrophobicContact CB-CG 4.28Å; D128-K131 PolarHBondContact O-N 3.18Å; D128-K131 VanDerWaalsContact O-O 3.12Å; K131-F133 PolarHBondContact O-N 3.29Å; K131-S170 PolarHBondContact NZ-O 3.43Å
132S23.6Very low25.9Very low113 Ų113104.2 Ų104.279%0.7956%0.559SS**SBendtrans-65.38.3-179.8-19.40000114.6
133F23.5Very low25.7Very low159 Ų159108.6 Ų108.670%0.69757%0.57SS**SBendtrans-132.2131.7-169.6-61.1-79000110.9K131 I135K131-F133 PolarHBondContact O-N 3.29Å; F133-I135 PolarHBondContact O-N 3.39Å
134P26.2Very low25.6Very low98 Ų98109 Ų10964%0.63659%0.586SS**  trans-65.1125.6169.826.7-31.4000109.8I136P134-I136 PolarHBondContact O-N 2.76Å
135I26.2Very low25.4Very low37 Ų37110.7 Ų110.719%0.1960%0.6CS.*EExtended strand (participates in β ladder)trans-76110.2169.7-59.8175.8000107.2F133 I137F133-I135 PolarHBondContact O-N 3.39Å; I135-I137 HydrophobicContact CG2-CG1 4.15Å; I135-I137 PolarHBondContact O-N 2.99Å
136I25.9Very low25.2Very low126 Ų126112.4 Ų112.465%0.64661%0.61SS**EExtended strand (participates in β ladder)trans-84.3105.9172.3-59.2172.9000107.2P134 G138P134-I136 PolarHBondContact O-N 2.76Å; I136-G138 PolarHBondContact O-N 3.28Å
137I27.2Very low25Very low62 Ų62120.9 Ų120.932%0.31864%0.64SS.*  trans-84107.8166.4-56.6177.7000106.9L124 I126 I135L124-I137 HydrophobicContact CD2-CD1 4.39Å; I126-I137 HydrophobicContact CD1-CD1 4.24Å; I135-I137 HydrophobicContact CG2-CG1 4.15Å; I135-I137 PolarHBondContact O-N 2.99Å
138G23.4Very low24.8Very low44 Ų44126.4 Ų126.445%0.45464%0.643SS.*  trans-72.5159.1177.200000113.3I136 D140I136-G138 PolarHBondContact O-N 3.28Å; G138-D140 VanDerWaalsContact C-N 3.26Å; G138-D140 PolarHBondContact O-N 2.83Å
139N25.6Very low24.5Very low97 Ų97134.4 Ų134.452%0.51968%0.676SS.*SBendtrans-76.651.3-174.5-83.3-16.1000114.3F141N139-F141 VanDerWaalsContact C-N 3.33Å; N139-F141 PolarHBondContact O-N 3.41Å
140D26.8Very low24.4Very low145 Ų145133.5 Ų133.578%0.77567%0.672SS**  trans-91.114.3179.4-70.2-21.7000114.6G138G138-D140 VanDerWaalsContact C-N 3.26Å; G138-D140 PolarHBondContact O-N 2.83Å
141F26.2Very low24.2Very low174 Ų174129.2 Ų129.276%0.76367%0.67SS**  trans-116.754179-77-85.6000113.2N139N139-F141 VanDerWaalsContact C-N 3.33Å; N139-F141 PolarHBondContact O-N 3.41Å
142L23Very low24.1Very low166 Ų166136.4 Ų136.487%0.86970%0.695SS**  trans-131.358.7162.6-87.2166.8000109.5
143Q22Very low24Very low180 Ų180140.1 Ų140.184%0.84170%0.7SS**  trans-120.1131.6160.5-73.6-1720.300108.4
144S22.1Very low24Very low117 Ų117140.3 Ų140.382%0.81871%0.707SS**  trans6874178.976.20000118.2
145V23.7Very low23.8Very low132 Ų132144.6 Ų144.680%0.872%0.715SS**  trans-132.998.3137.3-174.20000107.9Y147V145-Y147 PolarHBondContact O-N 3.49Å
146E22.7Very low23.7Very low139 Ų139147.9 Ų147.965%0.6573%0.733SS**  trans-61.2119174-144.4-174.7152.500108.7R148E146-R148 VanDerWaalsContact C-N 3.35Å; E146-R148 PolarHBondContact O-N 3.34Å; E146-R148 IonicContact OE1-CZ 3.37Å; E146-R148 IonicContact OE1-NE 3.02Å; E146-R148 PolarHBondContact OE1-NE 3.48Å; E146-R148 IonicContact OE1-NH2 2.88Å; E146-R148 PolarHBondContact OE1-NH2 3.46Å
147Y21.3Very low23.6Very low236 Ų236147 Ų14793%0.92574%0.737SS**  trans-65.791.5172.4-93.6-98.8000109.5V145V145-Y147 PolarHBondContact O-N 3.49Å
148R23Very low23.6Very low195 Ų195149.1 Ų149.174%0.73675%0.748SS**  trans-116.9105166.1-72.3-166.5-172.9-1635.2110.9E146 S150E146-R148 VanDerWaalsContact C-N 3.35Å; E146-R148 PolarHBondContact O-N 3.34Å; E146-R148 IonicContact OE1-CZ 3.37Å; E146-R148 IonicContact OE1-NE 3.02Å; E146-R148 PolarHBondContact OE1-NE 3.48Å; E146-R148 IonicContact OE1-NH2 2.88Å; E146-R148 PolarHBondContact OE1-NH2 3.46Å; R148-S150 PolarHBondContact O-N 3.21Å
149K23.6Very low23.7Very low216 Ų216152.6 Ų152.694%0.93976%0.755SS**SBendtrans1.596.1156.8-67.8177.4174.5178.20116.3
150S23.1Very low23.8Very low101 Ų101156 Ų15671%0.70677%0.768SS**  trans168.7130136.8-179.20000108.8R148 W152R148-S150 PolarHBondContact O-N 3.21Å; S150-W152 PolarHBondContact O-N 3.41Å
151P23.6Very low24Very low106 Ų106151.8 Ų151.869%0.68875%0.746SS**SBendtrans-8712.5-163.31.816000116.9
152W23.2Very low24.1Very low221 Ų221149.5 Ų149.584%0.83774%0.741SS**SBendtrans-146.375.6-167.9-52.398.5000112.3S150S150-W152 PolarHBondContact O-N 3.41Å
153E21.8Very low24.5Very low192 Ų192149.5 Ų149.590%0.89773%0.734SS**  trans168.3102.9155.8-101.6173.7170.900109.6
154I24.4Very low24.7Very low163 Ų163147.2 Ų147.284%0.83672%0.723SS**  trans-131115.6160.2-60-178.8000108.6
155K21.9Very low25.1Very low188 Ų188148.9 Ų148.982%0.81771%0.712SS**  trans-66.3128.3175.5-76173.3172.6174.60110.4C157K155-C157 PolarHBondContact O-N 3.01Å; K155-C157 VanDerWaalsContact O-N 3.14Å
156L23.8Very low25.4Very low106 Ų106146 Ų14656%0.55569%0.694SS**  trans-67.9100.5167-81.4151.6000109.7P39 I159P39-L156 HydrophobicContact CG-CD1 4.05Å; P39-L156 HydrophobicContact CG-CD2 4.4Å; L156-I159 HydrophobicContact CD2-CD1 4.35Å
157C22.5Very low25.6Very low108 Ų108145 Ų14573%0.7369%0.693SS**  trans-103.7133.1164-69.20000108.9K155K155-C157 PolarHBondContact O-N 3.01Å; K155-C157 VanDerWaalsContact O-N 3.14Å
158D27.1Very low25.9Very low105 Ų105139.4 Ų139.456%0.56167%0.674SS**  trans76.649.8160.9-72-7.3000121.6Q160 N161D158-Q160 PolarHBondContact O-N 3.12Å; D158-N161 HydrophobicContact CB-CB 4.18Å; D158-N161 PolarHBondContact O-N 2.95Å; D158-N161 PolarHBondContact OD2-ND2 2.63Å
159I26.5Very low26.1Very low117 Ų117132.3 Ų132.360%0.666%0.655SS**Hα-helixtrans-63-21.2161.7-67.8174.8000112.4L156L156-I159 HydrophobicContact CD2-CD1 4.35Å
160Q27.6Very low26.3Very low169 Ų169124.4 Ų124.479%0.7963%0.627SS**Hα-helixtrans-70.9-31.6175.8-80.7-178.3-29.200113.3D158 L162D158-Q160 PolarHBondContact O-N 3.12Å; Q160-L162 VanDerWaalsContact C-N 3.29Å; Q160-L162 PolarHBondContact O-N 3.48Å
161N30.3Very low26.3Very low57 Ų57125.3 Ų125.331%0.30562%0.621SS.*Hα-helixtrans-73.8-17.1179.3-84.8-37.9000113.8D158 R165D158-N161 HydrophobicContact CB-CB 4.18Å; D158-N161 PolarHBondContact O-N 2.95Å; D158-N161 PolarHBondContact OD2-ND2 2.63Å; N161-R165 WeakPolarHBondContact O-CB 3Å; N161-R165 VanDerWaalsContact O-CG 3.25Å; N161-R165 WeakPolarHBondContact O-CG 3Å; N161-R165 PolarHBondContact O-N 2.73Å
162L29.6Very low26.6Very low126 Ų126124.5 Ų124.566%0.6661%0.614SS**Hα-helixtrans-72.7-37.3179.6-151.786.3000111.9Q160 V166Q160-L162 VanDerWaalsContact C-N 3.29Å; Q160-L162 PolarHBondContact O-N 3.48Å; L162-V166 VanDerWaalsContact O-CG2 3.25Å; L162-V166 WeakPolarHBondContact O-CG2 2.96Å; L162-V166 PolarHBondContact O-N 3.5Å; L162-V166 VanDerWaalsContact O-N 3.16Å
163K29.8Very low26.8Very low165 Ų165116.6 Ų116.672%0.71760%0.602SS**Hα-helixtrans-63.2-44.9176.8-92.8-176.1172.5-176.90111.6L167K163-L167 WeakPolarHBondContact O-CD1 3.18Å; K163-L167 PolarHBondContact O-N 3.32Å
164E27.9Very low27.1Very low133 Ų133110.6 Ų110.662%0.62159%0.585SS**Hα-helixtrans-70.1-36.9-179.2-69.9-177.816900112.5L167 H168E164-L167 WeakPolarHBondContact O-CB 3.08Å; E164-L167 PolarHBondContact O-N 3.25Å; E164-H168 PolarHBondContact O-N 3.45Å
165R29.2Very low27.2Very low152 Ų152108.5 Ų108.557%0.57458%0.58SS**Hα-helixtrans-75.2-32.2-178.8-71.7177.5179.1-161.60.1113.8N161 L167 H168 S169N161-R165 WeakPolarHBondContact O-CB 3Å; N161-R165 VanDerWaalsContact O-CG 3.25Å; N161-R165 WeakPolarHBondContact O-CG 3Å; N161-R165 PolarHBondContact O-N 2.73Å; R165-L167 VanDerWaalsContact C-N 3.33Å; R165-H168 PolarHBondContact O-N 2.78Å; R165-S169 PolarHBondContact O-N 3.29Å
166V29.5Very low27.5Very low70 Ų70102.7 Ų102.742%0.42457%0.573SS.*Hα-helixtrans-68.5-35.2172.6173.20000110.9I126 L162 S170I126-V166 HydrophobicContact CD1-CG1 4.48Å; L162-V166 VanDerWaalsContact O-CG2 3.25Å; L162-V166 WeakPolarHBondContact O-CG2 2.96Å; L162-V166 PolarHBondContact O-N 3.5Å; L162-V166 VanDerWaalsContact O-N 3.16Å; V166-S170 WeakPolarHBondContact O-CB 3.47Å; V166-S170 PolarHBondContact O-N 3.49Å; V166-S170 PolarHBondContact O-OG 3.08Å
167L27.1Very low27.7Very low119 Ų119105.5 Ų105.562%0.62359%0.589SS**Hα-helixtrans-65.3-43.3169.8-83.9157.3000111.6K163 E164 R165 S170 M171K163-L167 WeakPolarHBondContact O-CD1 3.18Å; K163-L167 PolarHBondContact O-N 3.32Å; E164-L167 WeakPolarHBondContact O-CB 3.08Å; E164-L167 PolarHBondContact O-N 3.25Å; R165-L167 VanDerWaalsContact C-N 3.33Å; L167-S170 PolarHBondContact O-N 3.07Å; L167-M171 PolarHBondContact O-N 2.89Å
168H27.8Very low28Very low118 Ų118106.6 Ų106.655%0.54659%0.587SS.*Hα-helixtrans-65.8-41.7179.5-155.6-72.1000113.3E164 R165 S170 M171 T172E164-H168 PolarHBondContact O-N 3.45Å; R165-H168 PolarHBondContact O-N 2.78Å; H168-S170 VanDerWaalsContact C-N 3.26Å; H168-S170 PolarHBondContact O-N 3.22Å; H168-M171 PolarHBondContact O-N 3.12Å; H168-T172 PolarHBondContact O-N 3.24Å; H168-T172 PolarHBondContact O-OG1 3.41Å
169S28.1Very low28.2Very low46 Ų46111.8 Ų111.832%0.32261%0.605SS.*Hα-helixtrans-66.7-27175.4178.10000113.1R165 M171 G173R165-S169 PolarHBondContact O-N 3.29Å; S169-M171 VanDerWaalsContact C-N 3.31Å; S169-G173 PolarHBondContact O-N 3.41Å
170S26.4Very low28.5Very low50 Ų50115.3 Ų115.335%0.3562%0.616SS.*Hα-helixtrans-76.1-21.6178.1-62.10000112.6K131 V166 L167 H168K131-S170 PolarHBondContact NZ-O 3.43Å; V166-S170 WeakPolarHBondContact O-CB 3.47Å; V166-S170 PolarHBondContact O-N 3.49Å; V166-S170 PolarHBondContact O-OG 3.08Å; L167-S170 PolarHBondContact O-N 3.07Å; H168-S170 VanDerWaalsContact C-N 3.26Å; H168-S170 PolarHBondContact O-N 3.22Å
171M25.1Very low28.6Very low120 Ų120115.8 Ų115.859%0.59162%0.618SS**Hα-helixtrans-87.1-39.7176.4-66-168.4-54.700112.7L167 H168 S169 A174L167-M171 PolarHBondContact O-N 2.89Å; H168-M171 PolarHBondContact O-N 3.12Å; S169-M171 VanDerWaalsContact C-N 3.31Å; M171-A174 PolarHBondContact O-N 3.3Å
172T29.2Very low28.8Very low89 Ų89118.1 Ų118.155%0.54664%0.637SS.*Hα-helixtrans-73.2-28.7178.338.30000113.7H168 A174H168-T172 PolarHBondContact O-N 3.24Å; H168-T172 PolarHBondContact O-OG1 3.41Å; T172-A174 PolarHBondContact O-N 3.17Å
173G27.5Very low28.7Very low56 Ų56121 Ų12158%0.57765%0.647SS**THydrogen-bonded Turntrans-74.2-3.2173.200000115S169S169-G173 PolarHBondContact O-N 3.41Å
174A26.9Very low28.6Very low65 Ų65119.1 Ų119.154%0.53765%0.649SS.*THydrogen-bonded Turntrans-104.5-4.9179.800000113.4M171 T172M171-A174 PolarHBondContact O-N 3.3Å; T172-A174 PolarHBondContact O-N 3.17Å
175V27.9Very low28.6Very low120 Ų120118.1 Ų118.173%0.72765%0.654SS**SBendtrans-133.7106.4-172.8-170.80000108.6
176G28.3Very low28.6Very low65 Ų65115.4 Ų115.467%0.6766%0.664SS**  trans9765.9160.700000116.9D178G176-D178 PolarHBondContact O-N 3.18Å; G176-D178 VanDerWaalsContact O-N 3.11Å
177N28.2Very low28.6Very low166 Ų166118.8 Ų118.889%0.88868%0.679SS**SBendtrans-70.587.4138.2-84.4-21.5000106.6
178D28.8Very low28.9Very low131 Ų131121.6 Ų121.670%0.70169%0.686SS**  trans175.487.8159-89.3-23.8000105.6G176G176-D178 PolarHBondContact O-N 3.18Å; G176-D178 VanDerWaalsContact O-N 3.11Å
179F31.2Very low29Very low214 Ų214120.5 Ų120.594%0.93969%0.688SS**  trans-173.3107.1144.8-97.4-69.6000107.9
180F32.1Very low29.4Very low190 Ų190122.9 Ų122.983%0.83370%0.697SS**  trans-63.4126.7-178.7-80-103.3000112.3
181E30.2Very low29.8Very low179 Ų179128.4 Ų128.484%0.83672%0.72SS**  47.9152.4123.7-91.1-164179.600122.4
182P34.1Very low30.4Very low107 Ų107128 Ų12870%0.69572%0.72SS**  -123.6149.7-116.737.2-21.9000113.6
183E28.1Very low30.9Very low185 Ų185128 Ų12886%0.86472%0.716SS**  trans-160.7126.7166.2-114.2-175.7-16000113.6
184V28Very low31.5Very low126 Ų126132.5 Ų132.576%0.76473%0.726SS**  trans84.3140.8143.5-1720000119.5
185P28Very low32.4Very low113 Ų113138.5 Ų138.573%0.73474%0.743SS**  trans-101.6179.6-156.839.4-29.5000115.2
186A27.4Very low33.2Very low95 Ų95140.1 Ų140.179%0.78574%0.742SS**  trans79.182.4166.800000116.9
187L30.2Very low33.8Very low140 Ų140146.2 Ų146.273%0.73375%0.751SS**  trans-113.9102.2165.3-77.8145.6000106.5L193L187-L193 HydrophobicContact CD2-CD1 4.23Å
188K33.3Very low33.9Very low178 Ų178141.5 Ų141.577%0.77474%0.742SS**  30.8112.884-84.2-170.6176.4-174.70111.4D190K188-D190 PolarHBondContact O-N 2.9Å
189T31.1Very low34.3Very low95 Ų95142.5 Ų142.558%0.58375%0.747SS**  trans-54.2123-176.819.70000112.1M191 D192T189-M191 PolarHBondContact O-N 2.93Å; T189-M191 VanDerWaalsContact O-N 3.16Å; T189-D192 WeakPolarHBondContact CB-OD2 3.26Å; T189-D192 VanDerWaalsContact O-CB 3.3Å; T189-D192 WeakPolarHBondContact O-CB 3.34Å; T189-D192 PolarHBondContact O-N 2.81Å; T189-D192 PolarHBondContact OG1-OD2 3.08Å
190D35.2Very low34.3Very low97 Ų97143.3 Ų143.352%0.51974%0.744SS.*G310 helixtrans-69.6-6.8-178.5-81.1-30.2000114.5K188 D192 L193K188-D190 PolarHBondContact O-N 2.9Å; D190-D192 PolarHBondContact O-N 3.11Å; D190-L193 PolarHBondContact O-N 2.01Å
191M35.2Very low34.5Very low166 Ų166142.7 Ų142.782%0.81875%0.748SS**G310 helixtrans-66.1-25.3163.8-124.1-173.671.900111.6T189T189-M191 PolarHBondContact O-N 2.93Å; T189-M191 VanDerWaalsContact O-N 3.16Å
192D38Very low34.7Very low112 Ų112142.7 Ų142.760%0.59975%0.748SS**G310 helixtrans-88.1-3.9179.8-57.7-49.2000113.3T189 D190T189-D192 WeakPolarHBondContact CB-OD2 3.26Å; T189-D192 VanDerWaalsContact O-CB 3.3Å; T189-D192 WeakPolarHBondContact O-CB 3.34Å; T189-D192 PolarHBondContact O-N 2.81Å; T189-D192 PolarHBondContact OG1-OD2 3.08Å; D190-D192 PolarHBondContact O-N 3.11Å
193L40.6Very low34.7Very low88 Ų88143.9 Ų143.946%0.46176%0.756SS.*THydrogen-bonded Turntrans-116.5-11.4-175-77165.1000114.7L187 D190L187-L193 HydrophobicContact CD2-CD1 4.23Å; D190-L193 PolarHBondContact O-N 2.01Å
194L38.8Very low34.9Very low151 Ų151143.7 Ų143.779%0.79176%0.755SS**SBendtrans-89.8-7.8-179.9-84.1160.7000114.7
195E45.1Very low35Very low190 Ų190142.9 Ų142.989%0.88876%0.761SS**SBendtrans-87.7-10.7174.9-78.7-171.2155.600114.1
196E45.9Very low35.1Very low154 Ų154141.4 Ų141.472%0.7277%0.767SS**SBendtrans-102-11.6-163.7-150.3179.3171.800115.9
197K39.9Very low35.1Very low193 Ų193141.1 Ų141.184%0.83976%0.755SS**  trans-141.691179.2-68.7-165.6179.1-177.40113.6
198G31.8Very low34.9Very low68 Ų68143.4 Ų143.470%0.70176%0.762SS**  trans-59.5142.5151.500000110.7
199D35.9Very low34.7Very low151 Ų151144.4 Ų144.481%0.80776%0.762SS**  176.4116.9116.4-93.1-30.2000110.5
200R32.5Very low34.6Very low231 Ų231146.6 Ų146.687%0.87277%0.769SS**  trans38103.6143.2-68.8175157.7178.5-6.1118.3
201L35.1Very low34.2Very low178 Ų178147.4 Ų147.493%0.93277%0.773SS**  trans-128.1118.4145.6-74.2171.2000109.2
202E35.7Very low33.9Very low179 Ų179147 Ų14784%0.83677%0.773SS**PPolyproline II helixtrans-67.2144.6179.3-66.6-174.6152.800111.3Q204E202-Q204 PolarHBondContact O-N 3.47Å
203P33.6Very low33.7Very low132 Ų132148.4 Ų148.486%0.85778%0.781SS**PPolyproline II helixtrans-70.1118.2178.7-0.814.8000110A205P203-A205 PolarHBondContact O-N 2.81Å
204Q31.7Very low33.1Very low181 Ų181147 Ų14785%0.84678%0.782SS**PPolyproline II helixtrans-65.8123.6167.7-74.9-173.54.200109.4E202 G206E202-Q204 PolarHBondContact O-N 3.47Å; Q204-G206 PolarHBondContact O-N 2.86Å
205A29.7Very low32.8Very low108 Ų108149.3 Ų149.389%0.89379%0.789SS**THydrogen-bonded Turntrans-58.1130.317500000110.9P203P203-A205 PolarHBondContact O-N 2.81Å
206G30.2Very low32.3Very low82 Ų82148.8 Ų148.885%0.84579%0.791SS**THydrogen-bonded Turntrans122.61.4170.200000116.6Q204Q204-G206 PolarHBondContact O-N 2.86Å
207V27.7Very low31.5Very low90 Ų90144.7 Ų144.755%0.54578%0.784SS.*  trans-114104.2174.1-173.60000109.3Y209V207-Y209 HydrophobicContact CB-CD2 4.33Å; V207-Y209 HydrophobicContact CB-CE2 3.8Å; V207-Y209 HydrophobicContact CG1-CD2 3.98Å; V207-Y209 HydrophobicContact CG1-CE1 4.18Å; V207-Y209 HydrophobicContact CG1-CE2 3.58Å; V207-Y209 HydrophobicContact CG1-CG 4.44Å; V207-Y209 WeakPolarHBondContact O-CD2 3.14Å; V207-Y209 PolarHBondContact O-N 3.38Å
208E26.9Very low31Very low188 Ų188142.4 Ų142.488%0.87979%0.786SS**  trans-70.7105.6165.9-76.5-177.5165.100108.5I210E208-I210 PolarHBondContact O-N 3.29Å
209Y28Very low30.9Very low198 Ų198142.6 Ų142.678%0.77679%0.788SS**  trans-80.4108167.3-68.6-89.1000108.2V207 N211V207-Y209 HydrophobicContact CB-CD2 4.33Å; V207-Y209 HydrophobicContact CB-CE2 3.8Å; V207-Y209 HydrophobicContact CG1-CD2 3.98Å; V207-Y209 HydrophobicContact CG1-CE1 4.18Å; V207-Y209 HydrophobicContact CG1-CE2 3.58Å; V207-Y209 HydrophobicContact CG1-CG 4.44Å; V207-Y209 WeakPolarHBondContact O-CD2 3.14Å; V207-Y209 PolarHBondContact O-N 3.38Å; Y209-N211 PolarHBondContact O-N 3.36Å
210I28.5Very low30.5Very low142 Ų142139.2 Ų139.273%0.72879%0.789SS**  trans-68.2103167.5-59.5172.9000106.7E208 L212E208-I210 PolarHBondContact O-N 3.29Å; I210-L212 HydrophobicContact CG2-CD2 4.11Å; I210-L212 HydrophobicContact CG2-CG 4.23Å; I210-L212 PolarHBondContact O-N 3.28Å
211N27.4Very low30.6Very low113 Ų113136.4 Ų136.460%0.60479%0.789SS**  trans-72.195.8174.3-173.5-2.8000109.1Y209 N213 A214Y209-N211 PolarHBondContact O-N 3.36Å; N211-N213 PolarHBondContact O-N 3.29Å; N211-N213 VanDerWaalsContact O-N 3.11Å; N211-N213 PolarHBondContact OD1-N 3.44Å; N211-A214 PolarHBondContact O-N 2.63Å
212L28.4Very low30.7Very low157 Ų157135.1 Ų135.182%0.82278%0.784SS**THydrogen-bonded Turntrans-72.17.7176.6-70.2167.9000113.6I210I210-L212 HydrophobicContact CG2-CD2 4.11Å; I210-L212 HydrophobicContact CG2-CG 4.23Å; I210-L212 PolarHBondContact O-N 3.28Å
213N33.2Very low30.6Very low143 Ų143134.1 Ų134.177%0.76578%0.784SS**THydrogen-bonded Turntrans-112.317.5173.9-81.3-9.5000114.1N211N211-N213 PolarHBondContact O-N 3.29Å; N211-N213 VanDerWaalsContact O-N 3.11Å; N211-N213 PolarHBondContact OD1-N 3.44Å
214A29.9Very low30.5Very low58 Ų58135.8 Ų135.848%0.47978%0.78SS.*SBendtrans-99.4-7178.500000115.5N211N211-A214 PolarHBondContact O-N 2.63Å
215E32.2Very low30.6Very low199 Ų199132.4 Ų132.493%0.9377%0.774SS**SBendtrans-91.81178.8-86.9-169.7163.100115.2
216L34.7Very low31.1Very low180 Ų180135.1 Ų135.194%0.94277%0.772SS**SBendtrans-116.75.8176.8-90.8148.4000114.3
217A28.2Very low31.5Very low68 Ų68138.7 Ų138.756%0.56277%0.766SS**SBendtrans-148.475.1-178.500000111.9
218T29.2Very low31.7Very low145 Ų145138.7 Ų138.789%0.8977%0.77SS**SBendtrans163.2122.6137.446.10000110.9
219G29.6Very low32.2Very low71 Ų71137.2 Ų137.273%0.73277%0.765SS**  trans94.6100.7167.100000112.4
220G28.6Very low32.5Very low81 Ų81135.1 Ų135.184%0.83576%0.762SS**  cis6672.748.200000108.8
221I34.4Very low32.8Very low171 Ų171134.9 Ų134.988%0.87776%0.758SS**  trans-112.5108.2154.8-58.6179.6000105.1
222D36.2Very low33.3Very low152 Ų152138.3 Ų138.381%0.81377%0.768SS**  trans-48.1140.4-179.2-88-47.3000113.4Q224D222-Q224 PolarHBondContact O-N 2.88Å
223D33.5Very low33.7Very low158 Ų158136.9 Ų136.985%0.84577%0.768SS**  trans-40.2114.5145.8-75.5-46.5000110.5
224Q32.7Very low34Very low167 Ų167134.5 Ų134.578%0.7877%0.768SS**  trans-159.4125.6137.3-77.6-147.4-16.200111.2D222 I226D222-Q224 PolarHBondContact O-N 2.88Å; Q224-I226 PolarHBondContact O-N 2.8Å
225P33Very low34.4Very low109 Ų109139.4 Ų139.471%0.70879%0.785SS**  trans-75.6111.416230.1-27000108.1H227P225-H227 PolarHBondContact O-N 3.37Å; P225-H227 VanDerWaalsContact O-N 3.07Å
226I40.5Very low34.5Very low166 Ų166137.3 Ų137.385%0.85178%0.78SS**  trans-69.2112.9174.7-61.3177.9000108.6Q224Q224-I226 PolarHBondContact O-N 2.8Å
227H38.1Very low34.7Very low157 Ų157137.6 Ų137.673%0.72777%0.773SS**  trans-58.8146.8-178.8-87.3-87.7000114.8P225P225-H227 PolarHBondContact O-N 3.37Å; P225-H227 VanDerWaalsContact O-N 3.07Å
228S33.4Very low35.2Very low90 Ų90140.1 Ų140.163%0.62978%0.784SS**  trans-12.3133.814653.50000117.4
229M36.1Very low35.6Very low157 Ų157136.8 Ų136.877%0.77378%0.778SS**  166.9131.1113.9-89-163.9178.800112
230Q35.1Very low36.1Very low153 Ų153142 Ų14272%0.71579%0.789SS**  trans65.1144.5147.8-68.3173.7-61.700117.4
231E34.6Very low36.4Very low138 Ų138146.1 Ų146.165%0.64579%0.79SS**  cis-178.1125.89.8-115.9172.2-151.300102.8
232K37.6Very low36.9Very low184 Ų184148.2 Ų148.280%0.881%0.811SS**  165.1140.488.3-106167.5-174.6174.20108.6
233P36.8Very low36.9Very low128 Ų128148.1 Ų148.183%0.83181%0.811SS**  trans-97.9136.6166.734.9-26.4000111.3
234A39.6Very low37.1Very low92 Ų92147.5 Ų147.576%0.7681%0.809SS**  trans-174.7143.1171.500000108
235L38.6Very low37.3Very low161 Ų161146.4 Ų146.484%0.84381%0.81SS**  cis-169.7124-4.5-123.5143.1000105.5
236L33.5Very low37.6Very low155 Ų155148.6 Ų148.681%0.81282%0.816SS**  trans3.5143.2151.6-87.4158.9000123.2
237K38.5Very low37.4Very low187 Ų187147.6 Ų147.681%0.81381%0.814SS**  trans105.3159.2144-76.8179.4-175.5-176.30118.9
238P39.2Very low37.3Very low121 Ų121146.9 Ų146.979%0.78682%0.82SS**  cis-141.9170.5-41.239-21.4000114.7
239G37.8Very low37.6Very low74 Ų74151 Ų15176%0.76383%0.834SS**  trans108.4138.2163.900000114.3
240L40.7Very low37.7Very low182 Ų182150.5 Ų150.595%0.95384%0.838SS**  cis-157.8150.532.3-134.586.1000110.3
241L33.9Very low38Very low166 Ų166150.3 Ų150.387%0.86985%0.849SS**  trans-71.2141.6177.8-73.6147000113.9
242V44.7Very low38.3Very low216 Ų216151.5 Ų151.5100%1.30987%0.867SS**  -136.30129.3-1780000107.2

Retrieved 242 of 242 residues in 663.2 ms (Link to these results)