A0A077Z908_TRITR Loading...

Temperature-induced lipocalin

AlphaFold DB , UniProt , Accession A0A077Z908, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 391 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
1M36.9Very low44.7Very low203 Ų20384.3 Ų84.3100%145%0.452SS*.  0-46.60-129.5179.6-69.300111.5E3 K4 I5M1-E3 PolarHBondContact O-N 2.91Å; M1-K4 PolarHBondContact O-N 2.95Å; M1-I5 WeakPolarHBondContact O-CG1 3.43Å; M1-I5 PolarHBondContact O-N 2.91Å
2V38.1Very low45.3Very low119 Ų11984.1 Ų84.172%0.72145%0.446SS*.Hα-helixtrans-55.8-41.8179.2-176.90000113.9I5 A6V2-I5 WeakPolarHBondContact O-CB 3.46Å; V2-I5 PolarHBondContact O-N 3.36Å; V2-A6 PolarHBondContact O-N 2.86Å; V2-A6 VanDerWaalsContact O-N 3.08Å
3E37.7Very low45.8Very low91 Ų9180.9 Ų80.943%0.42544%0.439SS..Hα-helixtrans-67.9-39.4179.9-69.3177.7176.600114.1M1 I5 A6 V7 Y33M1-E3 PolarHBondContact O-N 2.91Å; E3-I5 PolarHBondContact O-N 3.01Å; E3-A6 PolarHBondContact O-N 3.33Å; E3-A6 VanDerWaalsContact O-N 3.17Å; E3-V7 PolarHBondContact O-N 3.02Å; E3-Y33 VanDerWaalsContact OE1-CD2 3.31Å; E3-Y33 WeakPolarHBondContact OE1-CD2 3.31Å; E3-Y33 WeakPolarHBondContact OE2-CD2 3.35Å
4K36.6Very low46.1Very low116 Ų11676.4 Ų76.450%0.50442%0.418SS..Hα-helixtrans-60.2-38.7174.1-79.6-173.5175.9-176.80110.9M1 L8 F40M1-K4 PolarHBondContact O-N 2.95Å; K4-L8 WeakPolarHBondContact O-CB 3.47Å; K4-L8 WeakPolarHBondContact O-CD1 3.42Å; K4-L8 VanDerWaalsContact O-CG 3.31Å; K4-L8 WeakPolarHBondContact O-CG 3.43Å; K4-L8 PolarHBondContact O-N 3.07Å; K4-F40 HydrophobicContact CG-CZ 4.32Å
5I43.2Very low46.3Very low103 Ų10380.5 Ų80.553%0.52843%0.425SS..Hα-helixtrans-65.6-41.5177.1-62.5168.2000110.2M1 V2 E3 L8 S9M1-I5 WeakPolarHBondContact O-CG1 3.43Å; M1-I5 PolarHBondContact O-N 2.91Å; V2-I5 WeakPolarHBondContact O-CB 3.46Å; V2-I5 PolarHBondContact O-N 3.36Å; E3-I5 PolarHBondContact O-N 3.01Å; I5-L8 PolarHBondContact O-N 3.11Å; I5-S9 WeakPolarHBondContact O-CB 3.45Å; I5-S9 PolarHBondContact O-N 2.88Å; I5-S9 PolarHBondContact O-OG 3.32Å
6A46.4Very low46.3Very low42 Ų4287.8 Ų87.835%0.34745%0.445SS..Hα-helixtrans-66.1-43.5179.400000113V2 E3 S9 L10V2-A6 PolarHBondContact O-N 2.86Å; V2-A6 VanDerWaalsContact O-N 3.08Å; E3-A6 PolarHBondContact O-N 3.33Å; E3-A6 VanDerWaalsContact O-N 3.17Å; A6-S9 WeakPolarHBondContact O-CB 3.46Å; A6-S9 PolarHBondContact O-N 2.86Å; A6-L10 PolarHBondContact O-N 3.45Å
7V49.5Very low46.3Very low10 Ų1088.5 Ų88.56%0.06145%0.445CS..Hα-helixtrans-66.4-43.7176.2179.90000111.1E3 S9 L10 L11 V29 V31 F40E3-V7 PolarHBondContact O-N 3.02Å; V7-S9 PolarHBondContact O-N 2.84Å; V7-L10 WeakPolarHBondContact O-CB 3.34Å; V7-L10 PolarHBondContact O-N 3.45Å; V7-L11 HydrophobicContact CG1-CD1 4.27Å; V7-L11 HydrophobicContact CG1-CG 4.46Å; V7-L11 WeakPolarHBondContact O-CG 3.33Å; V7-L11 PolarHBondContact O-N 2.8Å; V7-V29 HydrophobicContact CG1-CB 4.21Å; V7-V29 HydrophobicContact CG1-CG1 3.99Å; V7-V29 HydrophobicContact CG2-CG1 4.46Å; V7-V31 HydrophobicContact CG2-CG2 3.75Å; V7-F40 HydrophobicContact CB-CD2 4.33Å; V7-F40 HydrophobicContact CB-CE2 4.27Å; V7-F40 HydrophobicContact CB-CZ 4.45Å; V7-F40 HydrophobicContact CG1-CB 3.96Å; V7-F40 HydrophobicContact CG1-CD1 4.07Å; V7-F40 HydrophobicContact CG1-CD2 3.55Å; V7-F40 HydrophobicContact CG1-CE1 4.46Å; V7-F40 HydrophobicContact CG1-CE2 3.98Å; V7-F40 HydrophobicContact CG1-CG 3.59Å; V7-F40 HydrophobicContact CG1-CZ 4.42Å; V7-F40 HydrophobicContact CG2-CE2 4.24Å
8L49.2Very low45.7Very low81 Ų8185.5 Ų85.542%0.42444%0.441SS..Hα-helixtrans-57.5-40.1171.7-79.1162.6000111.1K4 I5 L11 H12K4-L8 WeakPolarHBondContact O-CB 3.47Å; K4-L8 WeakPolarHBondContact O-CD1 3.42Å; K4-L8 VanDerWaalsContact O-CG 3.31Å; K4-L8 WeakPolarHBondContact O-CG 3.43Å; K4-L8 PolarHBondContact O-N 3.07Å; I5-L8 PolarHBondContact O-N 3.11Å; L8-L11 PolarHBondContact O-N 3.28Å; L8-H12 WeakPolarHBondContact O-CB 3.48Å; L8-H12 PolarHBondContact O-N 3.17Å; L8-H12 PolarHBondContact O-ND1 2.81Å
9S51.2Low45.2Very low64 Ų6484.8 Ų84.845%0.44846%0.457SS..Hα-helixtrans-63.5-40.4177.7-54.70000112.3I5 A6 V7 H12 A13I5-S9 WeakPolarHBondContact O-CB 3.45Å; I5-S9 PolarHBondContact O-N 2.88Å; I5-S9 PolarHBondContact O-OG 3.32Å; A6-S9 WeakPolarHBondContact O-CB 3.46Å; A6-S9 PolarHBondContact O-N 2.86Å; V7-S9 PolarHBondContact O-N 2.84Å; S9-H12 PolarHBondContact O-N 2.78Å; S9-A13 WeakPolarHBondContact O-CB 3.35Å; S9-A13 PolarHBondContact O-N 3.22Å
10L50.5Low45Very low83 Ų8385.1 Ų85.144%0.43547%0.466SS..Hα-helixtrans-63-45173.4-80160000111.9A6 V7 H12 A13 A14A6-L10 PolarHBondContact O-N 3.45Å; V7-L10 WeakPolarHBondContact O-CB 3.34Å; V7-L10 PolarHBondContact O-N 3.45Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-H12 PolarHBondContact O-N 3.34Å; L10-A13 PolarHBondContact O-N 3.42Å; L10-A14 PolarHBondContact O-N 3.06Å
11L52.3Low45.1Very low15 Ų1585.2 Ų85.28%0.07949%0.487CS..Hα-helixtrans-63.7-38.6175.6-64.3173000111.6V7 L8 R15 M27 F40 W42V7-L11 HydrophobicContact CG1-CD1 4.27Å; V7-L11 HydrophobicContact CG1-CG 4.46Å; V7-L11 WeakPolarHBondContact O-CG 3.33Å; V7-L11 PolarHBondContact O-N 2.8Å; L8-L11 PolarHBondContact O-N 3.28Å; L11-R15 WeakPolarHBondContact O-CG 3.39Å; L11-R15 PolarHBondContact O-N 3.13Å; L11-R15 VanDerWaalsContact O-N 3.11Å; L11-M27 HydrophobicContact CD2-CE 3.4Å; L11-M27 VanDerWaalsContact CD2-CE 3.4Å; L11-M27 HydrophobicContact CD2-CG 4.32Å; L11-M27 HydrophobicContact CD2-SD 3.99Å; L11-M27 HydrophobicContact CG-CE 4.49Å; L11-F40 HydrophobicContact CD1-CB 3.94Å; L11-W42 HydrophobicContact CD2-CB 3.96Å
12H52Low45.8Very low82 Ų8280.6 Ų80.638%0.3847%0.473SS..Hα-helixtrans-71.1-35.2175.2-76.496.6000112.7L8 S9 L10 R15 R16L8-H12 WeakPolarHBondContact O-CB 3.48Å; L8-H12 PolarHBondContact O-N 3.17Å; L8-H12 PolarHBondContact O-ND1 2.81Å; S9-H12 PolarHBondContact O-N 2.78Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-H12 PolarHBondContact O-N 3.34Å; H12-R15 WeakPolarHBondContact O-CB 3.48Å; H12-R15 PolarHBondContact O-N 3.4Å; H12-R16 PolarHBondContact O-N 3.14Å
13A51.5Low47.2Very low43 Ų4379.8 Ų79.836%0.35547%0.468SS..Hα-helixtrans-64.9-43.8173.400000110.8S9 L10 R15 R16 H17S9-A13 WeakPolarHBondContact O-CB 3.35Å; S9-A13 PolarHBondContact O-N 3.22Å; L10-A13 PolarHBondContact O-N 3.42Å; A13-R15 PolarHBondContact O-N 3.14Å; A13-R16 PolarHBondContact O-N 3.36Å; A13-R16 VanDerWaalsContact O-N 3.16Å; A13-H17 PolarHBondContact O-CD2 3.35Å; A13-H17 VanDerWaalsContact O-CD2 3.28Å; A13-H17 PolarHBondContact O-N 3.35Å; A13-H17 VanDerWaalsContact O-N 3.08Å
14A50.6Low49Very low17 Ų1779.3 Ų79.314%0.1447%0.467CS..Hα-helixtrans-58.4-35172.400000112.4L10 I24 M27L10-A14 PolarHBondContact O-N 3.06Å; A14-I24 HydrophobicContact CB-CD1 4.03Å; A14-M27 HydrophobicContact CB-CE 3.46Å; A14-M27 VanDerWaalsContact CB-CE 3.46Å
15R49Very low51.2Low139 Ų13975.5 Ų75.553%0.52546%0.455SS..Hα-helixtrans-66.6-44172.3-76.6175.6179.7-174.2-6.6113.7L11 H12 A13 W42L11-R15 WeakPolarHBondContact O-CG 3.39Å; L11-R15 PolarHBondContact O-N 3.13Å; L11-R15 VanDerWaalsContact O-N 3.11Å; H12-R15 WeakPolarHBondContact O-CB 3.48Å; H12-R15 PolarHBondContact O-N 3.4Å; A13-R15 PolarHBondContact O-N 3.14Å; R15-W42 HydrophobicContact CG-CH2 4.42Å; R15-W42 HydrophobicContact CG-CZ2 3.59Å; R15-W42 VanDerWaalsContact NE-NE1 3.12Å
16R46.1Very low53.3Low197 Ų19771.2 Ų71.274%0.74344%0.436SS*.Hα-helixtrans-80.6-22.7-172.9-72.4-172.5-175.3-177.11.6114.1H12 A13 G18H12-R16 PolarHBondContact O-N 3.14Å; A13-R16 PolarHBondContact O-N 3.36Å; A13-R16 VanDerWaalsContact O-N 3.16Å; R16-G18 VanDerWaalsContact C-N 3.28Å; R16-G18 PolarHBondContact O-N 3.27Å
17H45.6Very low55.2Low99 Ų9971.1 Ų71.146%0.45843%0.429SS..G310 helixtrans-85.88-178.8-79.5-81.8000114.4A13 G19 K306A13-H17 PolarHBondContact O-CD2 3.35Å; A13-H17 VanDerWaalsContact O-CD2 3.28Å; A13-H17 PolarHBondContact O-N 3.35Å; A13-H17 VanDerWaalsContact O-N 3.08Å; H17-G19 PolarHBondContact O-N 3.36Å; H17-G19 VanDerWaalsContact O-N 3.1Å; H17-K306 PolarHBondContact CE1-NZ 3.48Å; H17-K306 PolarHBondContact NE2-NZ 3.28Å; H17-K306 VanDerWaalsContact NE2-NZ 3.16Å
18G35.9Very low57Low35 Ų3572.9 Ų72.936%0.36144%0.444SS..G310 helixtrans-67.80.8172.700000115.7R16R16-G18 VanDerWaalsContact C-N 3.28Å; R16-G18 PolarHBondContact O-N 3.27Å
19G36.6Very low58.9Low72 Ų7270.7 Ų70.774%0.74244%0.435SS*.G310 helixtrans-81.3-9.717600000115.2H17H17-G19 PolarHBondContact O-N 3.36Å; H17-G19 VanDerWaalsContact O-N 3.1Å
20S40.7Very low60.5Low91 Ų9170.9 Ų70.964%0.63644%0.44SS*.SBendtrans-126.369.9-173.3-44.90000111C22S20-C22 PolarHBondContact O-N 3.38Å
21G46.6Very low62.3Low88 Ų8868.1 Ų68.191%0.90743%0.426SS*.SBendtrans63.2-11.6161.600000119.3
22C51.8Low63.9Low106 Ų10673.7 Ų73.772%0.71646%0.455SS*.  trans-127.881.1-177-1380000109.7S20 I24S20-C22 PolarHBondContact O-N 3.38Å; C22-I24 PolarHBondContact O-N 3.08Å
23V67.4Low65.5Low101 Ų10174.4 Ų74.461%0.61246%0.455SS*.  trans-75117.8173.8-178.90000108.2P25V23-P25 VanDerWaalsContact O-CD 3.32Å; V23-P25 WeakPolarHBondContact O-CD 3.45Å
24I76.2Confident67.4Low81 Ų8180.3 Ų80.342%0.41548%0.475SS..  trans-68.8116.7168.5-65164.5000107.1A14 C22 G26 W42A14-I24 HydrophobicContact CB-CD1 4.03Å; C22-I24 PolarHBondContact O-N 3.08Å; I24-G26 WeakPolarHBondContact CG2-O 3.38Å; I24-W42 WeakPolarHBondContact O-CZ3 3.47Å
25P82.8Confident69.1Low37 Ų3782.9 Ų82.924%0.2450%0.504CS..  trans-70.6-36.7-174.328.2-36000112.2V23 G43 Y44 I47 Y202V23-P25 VanDerWaalsContact O-CD 3.32Å; V23-P25 WeakPolarHBondContact O-CD 3.45Å; P25-G43 CarbonylContact O-C 3.48Å; P25-G43 WeakPolarHBondContact O-CA 3.3Å; P25-Y44 CarbonylContact C-O 3.59Å; P25-Y44 PolarHBondContact O-N 3.03Å; P25-I47 HydrophobicContact CB-CD1 3.65Å; P25-I47 HydrophobicContact CB-CG1 3.98Å; P25-Y202 HydrophobicContact CB-CD2 3.78Å; P25-Y202 HydrophobicContact CB-CE2 4.01Å; P25-Y202 HydrophobicContact CG-CD2 3.84Å; P25-Y202 HydrophobicContact CG-CE2 4.34Å
26G86.5Confident71Confident13 Ų1382.2 Ų82.213%0.13450%0.504CS..EExtended strand (participates in β ladder)trans-167.3161.5-179.500000111.8I24 W42I24-G26 WeakPolarHBondContact CG2-O 3.38Å; G26-W42 CarbonylContact C-O 3.51Å; G26-W42 WeakPolarHBondContact CA-O 3.46Å
27M87.7Confident73Confident39 Ų3975.5 Ų75.519%0.19249%0.487CS..EExtended strand (participates in β ladder)trans-152.2144-174.4172.7171.129.700110.6L11 A14 V29 T41 W42 V53L11-M27 HydrophobicContact CD2-CE 3.4Å; L11-M27 VanDerWaalsContact CD2-CE 3.4Å; L11-M27 HydrophobicContact CD2-CG 4.32Å; L11-M27 HydrophobicContact CD2-SD 3.99Å; L11-M27 HydrophobicContact CG-CE 4.49Å; A14-M27 HydrophobicContact CB-CE 3.46Å; A14-M27 VanDerWaalsContact CB-CE 3.46Å; M27-V29 HydrophobicContact CG-CG2 3.95Å; M27-V29 HydrophobicContact SD-CG2 3.94Å; M27-T41 CarbonylContact O-C 3.49Å; M27-T41 WeakPolarHBondContact O-CA 3.18Å; M27-W42 PolarHBondContact N-O 3.42Å; M27-W42 PolarHBondContact O-N 2.7Å; M27-V53 WeakPolarHBondContact O-CG1 3.34Å
28A86.9Confident75.1Confident47 Ų4774.2 Ų74.239%0.38848%0.478SS..EExtended strand (participates in β ladder)trans-126.1135.8166.900000109.4F40 T41 V53 F59A28-F40 CarbonylContact C-O 3.46Å; A28-F40 WeakPolarHBondContact CA-O 3.47Å; A28-T41 HydrophobicContact CB-CG2 4.23Å; A28-V53 HydrophobicContact CB-CG1 3.94Å; A28-F59 HydrophobicContact CB-CE2 3.78Å; A28-F59 HydrophobicContact CB-CZ 4.11Å
29V89Confident77.5Confident36 Ų3678.2 Ų78.222%0.21848%0.483CS..EExtended strand (participates in β ladder)trans-128.1128.2177.2-178.40000108.3V7 M27 V31 Y39 F40V7-V29 HydrophobicContact CG1-CB 4.21Å; V7-V29 HydrophobicContact CG1-CG1 3.99Å; V7-V29 HydrophobicContact CG2-CG1 4.46Å; M27-V29 HydrophobicContact CG-CG2 3.95Å; M27-V29 HydrophobicContact SD-CG2 3.94Å; V29-V31 HydrophobicContact CG1-CG2 4.26Å; V29-Y39 CarbonylContact O-C 3.55Å; V29-Y39 WeakPolarHBondContact O-CA 3.4Å; V29-F40 HydrophobicContact CB-CB 4.41Å; V29-F40 PolarHBondContact N-O 3.23Å; V29-F40 PolarHBondContact O-N 3.27Å
30A85.8Confident80Confident67 Ų6776.7 Ų76.755%0.55446%0.456SS*.EExtended strand (participates in β ladder)trans-113.2132.3171.500000109.6Y38 Y39A30-Y38 CarbonylContact C-O 3.47Å; A30-Y38 WeakPolarHBondContact CA-O 3.48Å; A30-Y39 HydrophobicContact CB-CD1 3.68Å; A30-Y39 HydrophobicContact CB-CE1 3.76Å
31V87.7Confident82.3Confident26 Ų2675.2 Ų75.216%0.15844%0.444CS..EExtended strand (participates in β ladder)trans-124.2126.2174.2-178.90000108.2V7 V29 P37 Y38 F40V7-V31 HydrophobicContact CG2-CG2 3.75Å; V29-V31 HydrophobicContact CG1-CG2 4.26Å; V31-P37 CarbonylContact O-C 3.59Å; V31-P37 WeakPolarHBondContact O-CA 3.32Å; V31-Y38 PolarHBondContact N-O 2.99Å; V31-Y38 PolarHBondContact O-N 3.46Å; V31-F40 HydrophobicContact CG2-CE2 4.38Å
32I84.9Confident84.1Confident132 Ų13274 Ų7468%0.67741%0.411SS*.EExtended strand (participates in β ladder)trans-100.5113.4172.3-60.4167.6000107.3K36 P37I32-K36 WeakPolarHBondContact CA-O 3.38Å; I32-P37 HydrophobicContact CG1-CB 4.42Å
33Y85.8Confident85.9Confident96 Ų9669.9 Ų69.938%0.37639%0.388SS..EExtended strand (participates in β ladder)trans-123123.1179.4179.4-103.7000109.4E3 G35 K36E3-Y33 VanDerWaalsContact OE1-CD2 3.31Å; E3-Y33 WeakPolarHBondContact OE1-CD2 3.31Å; E3-Y33 WeakPolarHBondContact OE2-CD2 3.35Å; Y33-G35 PolarHBondContact O-N 3.25Å; Y33-K36 PolarHBondContact N-O 2.89Å; Y33-K36 WeakPolarHBondContact O-CB 3.41Å; Y33-K36 PolarHBondContact O-N 3.42Å
34Q91.4Very high87Confident167 Ų16770 Ų7078%0.7838%0.378SS*.THydrogen-bonded Turntrans51.243.2-176.3-62.2-179.6-29.800112.7K36Q34-K36 PolarHBondContact O-N 2.82Å; Q34-K36 VanDerWaalsContact O-N 3.16Å
35G86.8Confident87.6Confident72 Ų7266.3 Ų66.374%0.74236%0.359SS*.THydrogen-bonded Turntrans74.1-4.2-17800000115.1Y33Y33-G35 PolarHBondContact O-N 3.25Å
36K88.9Confident87.9Confident124 Ų12464.9 Ų64.954%0.53935%0.349SS..EExtended strand (participates in β ladder)trans-98.3124.9178.4-175.3168.6178172.40111.4I32 Y33 Q34 Y38I32-K36 WeakPolarHBondContact CA-O 3.38Å; Y33-K36 PolarHBondContact N-O 2.89Å; Y33-K36 WeakPolarHBondContact O-CB 3.41Å; Y33-K36 PolarHBondContact O-N 3.42Å; Q34-K36 PolarHBondContact O-N 2.82Å; Q34-K36 VanDerWaalsContact O-N 3.16Å; K36-Y38 HydrophobicContact CB-CE2 4.02Å; K36-Y38 HydrophobicContact CD-CE2 4.23Å; K36-Y38 HydrophobicContact CG-CE2 3.92Å; K36-Y38 WeakPolarHBondContact O-CD2 3.31Å; K36-Y38 WeakPolarHBondContact O-CE2 3.21Å
37P88.8Confident87.9Confident57 Ų5767.8 Ų67.837%0.3736%0.361SS..EExtended strand (participates in β ladder)trans-78.3141.9174.332-34.1000111.7V31 I32 Y39V31-P37 CarbonylContact O-C 3.59Å; V31-P37 WeakPolarHBondContact O-CA 3.32Å; I32-P37 HydrophobicContact CG1-CB 4.42Å; P37-Y39 HydrophobicContact CB-CE2 3.78Å; P37-Y39 HydrophobicContact CG-CE2 4.13Å
38Y88Confident87.7Confident72 Ų7270 Ų7028%0.28239%0.386SS..EExtended strand (participates in β ladder)trans-127.5127.3172.5-65.1-93.3000108.6A30 V31 K36A30-Y38 CarbonylContact C-O 3.47Å; A30-Y38 WeakPolarHBondContact CA-O 3.48Å; V31-Y38 PolarHBondContact N-O 2.99Å; V31-Y38 PolarHBondContact O-N 3.46Å; K36-Y38 HydrophobicContact CB-CE2 4.02Å; K36-Y38 HydrophobicContact CD-CE2 4.23Å; K36-Y38 HydrophobicContact CG-CE2 3.92Å; K36-Y38 WeakPolarHBondContact O-CD2 3.31Å; K36-Y38 WeakPolarHBondContact O-CE2 3.21Å
39Y87.7Confident87.8Confident119 Ų11975.3 Ų75.347%0.46740%0.4SS..EExtended strand (participates in β ladder)trans-114.4137.5-178.2-55.7-80.9000110.4V29 A30 P37 Q55V29-Y39 CarbonylContact O-C 3.55Å; V29-Y39 WeakPolarHBondContact O-CA 3.4Å; A30-Y39 HydrophobicContact CB-CD1 3.68Å; A30-Y39 HydrophobicContact CB-CE1 3.76Å; P37-Y39 HydrophobicContact CB-CE2 3.78Å; P37-Y39 HydrophobicContact CG-CE2 4.13Å; Y39-Q55 HydrophobicContact CD1-CG 4.49Å; Y39-Q55 HydrophobicContact CD2-CG 4.32Å; Y39-Q55 HydrophobicContact CG-CG 3.97Å
40F88.3Confident87.8Confident39 Ų3980.9 Ų80.917%0.17142%0.421CS..EExtended strand (participates in β ladder)trans-131.2122.5177.5-52.4-96.9000108.3K4 V7 L11 A28 V29 V31K4-F40 HydrophobicContact CG-CZ 4.32Å; V7-F40 HydrophobicContact CB-CD2 4.33Å; V7-F40 HydrophobicContact CB-CE2 4.27Å; V7-F40 HydrophobicContact CB-CZ 4.45Å; V7-F40 HydrophobicContact CG1-CB 3.96Å; V7-F40 HydrophobicContact CG1-CD1 4.07Å; V7-F40 HydrophobicContact CG1-CD2 3.55Å; V7-F40 HydrophobicContact CG1-CE1 4.46Å; V7-F40 HydrophobicContact CG1-CE2 3.98Å; V7-F40 HydrophobicContact CG1-CG 3.59Å; V7-F40 HydrophobicContact CG1-CZ 4.42Å; V7-F40 HydrophobicContact CG2-CE2 4.24Å; L11-F40 HydrophobicContact CD1-CB 3.94Å; A28-F40 CarbonylContact C-O 3.46Å; A28-F40 WeakPolarHBondContact CA-O 3.47Å; V29-F40 HydrophobicContact CB-CB 4.41Å; V29-F40 PolarHBondContact N-O 3.23Å; V29-F40 PolarHBondContact O-N 3.27Å; V31-F40 HydrophobicContact CG2-CE2 4.38Å
41T88.7Confident88.1Confident61 Ų6181.7 Ų81.737%0.37441%0.413SS..EExtended strand (participates in β ladder)trans-120.4149.917963.70000110.4M27 A28 V53M27-T41 CarbonylContact O-C 3.49Å; M27-T41 WeakPolarHBondContact O-CA 3.18Å; A28-T41 HydrophobicContact CB-CG2 4.23Å; T41-V53 VanDerWaalsContact CB-O 3.25Å; T41-V53 WeakPolarHBondContact CB-O 3.48Å; T41-V53 HydrophobicContact CG2-CG1 4.04Å; T41-V53 PolarHBondContact OG1-O 2.7Å; T41-V53 VanDerWaalsContact OG1-O 3.05Å
42W85.8Confident88.4Confident61 Ų6183.4 Ų83.423%0.23143%0.425CS..EExtended strand (participates in β ladder)trans-152.4150.7179-178.475.9000111.1L11 R15 I24 G26 M27 V53L11-W42 HydrophobicContact CD2-CB 3.96Å; R15-W42 HydrophobicContact CG-CH2 4.42Å; R15-W42 HydrophobicContact CG-CZ2 3.59Å; R15-W42 VanDerWaalsContact NE-NE1 3.12Å; I24-W42 WeakPolarHBondContact O-CZ3 3.47Å; G26-W42 CarbonylContact C-O 3.51Å; G26-W42 WeakPolarHBondContact CA-O 3.46Å; M27-W42 PolarHBondContact N-O 3.42Å; M27-W42 PolarHBondContact O-N 2.7Å; W42-V53 WeakPolarHBondContact O-CG2 3.2Å
43G89.7Confident88.8Confident21 Ų2177.4 Ų77.422%0.21640%0.395CS..EExtended strand (participates in β ladder)trans72.4-157.7175.500000113.8P25 V53P25-G43 CarbonylContact O-C 3.48Å; P25-G43 WeakPolarHBondContact O-CA 3.3Å; G43-V53 PolarHBondContact O-N 3.27Å
44Y89.4Confident89.2Confident104 Ų10475.2 Ų75.241%0.40839%0.391SS..EExtended strand (participates in β ladder)trans-114.7134-173.2-60.5-73.2000111.7P25 K50 Q51P25-Y44 CarbonylContact C-O 3.59Å; P25-Y44 PolarHBondContact O-N 3.03Å; Y44-K50 HydrophobicContact CD1-CB 4.32Å; Y44-K50 WeakPolarHBondContact CD1-O 3.19Å; Y44-K50 HydrophobicContact CE1-CB 3.91Å; Y44-K50 WeakPolarHBondContact CE1-O 3.24Å; Y44-Q51 CarbonylContact C-O 3.5Å; Y44-Q51 WeakPolarHBondContact CA-O 3.21Å; Y44-Q51 WeakPolarHBondContact CB-O 3.35Å
45A89Confident89.2Confident3 Ų373.5 Ų73.53%0.02538%0.383CS..EExtended strand (participates in β ladder)trans-72.4-33.4165.300000111Q51 V53 T57 A199 W200A45-Q51 HydrophobicContact CB-CG 4.38Å; A45-Q51 PolarHBondContact N-O 2.92Å; A45-V53 HydrophobicContact CB-CG2 4.25Å; A45-T57 HydrophobicContact CB-CG2 3.69Å; A45-A199 HydrophobicContact CB-CB 4.23Å; A45-A199 WeakPolarHBondContact O-CA 3.38Å; A45-W200 PolarHBondContact O-N 3.06Å
46D88.9Confident89.5Confident6 Ų674.6 Ų74.63%0.03237%0.369CS..EExtended strand (participates in β ladder)trans-135.2107.4169.1-170.1-35.7000109.8A48 K49 K50 Q51 Y202 K207D46-A48 PolarHBondContact O-N 2.86Å; D46-A48 WeakPolarHBondContact OD1-CB 3.26Å; D46-A48 PolarHBondContact OD1-N 2.96Å; D46-K49 HydrophobicContact CB-CB 4.14Å; D46-K49 PolarHBondContact O-N 3.24Å; D46-K49 PolarHBondContact OD1-N 2.93Å; D46-K49 VanDerWaalsContact OD1-N 3.11Å; D46-K50 CarbonylContact O-C 3.52Å; D46-K50 WeakPolarHBondContact O-CA 3.41Å; D46-K50 PolarHBondContact O-N 2.79Å; D46-Q51 HydrophobicContact CB-CB 3.93Å; D46-Q51 PolarHBondContact N-O 3.42Å; D46-Q51 PolarHBondContact O-N 2.96Å; D46-Y202 VanDerWaalsContact CA-OH 3.22Å; D46-Y202 WeakPolarHBondContact CA-OH 3.23Å; D46-Y202 PolarHBondContact OD1-OH 3.21Å; D46-K207 IonicContact OD2-NZ 3.79Å; D46-K207 PolarHBondContact OD2-NZ 2.92Å
47I85.6Confident89.7Confident75 Ų7569.5 Ų69.539%0.38535%0.348SS..THydrogen-bonded Turntrans-58.6-44.3178.7-60.8171.4000111.4P25 K49 K50 Y202P25-I47 HydrophobicContact CB-CD1 3.65Å; P25-I47 HydrophobicContact CB-CG1 3.98Å; I47-K49 PolarHBondContact O-N 2.8Å; I47-K50 PolarHBondContact O-N 2.86Å; I47-K50 VanDerWaalsContact O-N 3.14Å; I47-Y202 HydrophobicContact CB-CE1 3.91Å; I47-Y202 HydrophobicContact CB-CE2 4.48Å; I47-Y202 HydrophobicContact CD1-CD1 3.76Å; I47-Y202 HydrophobicContact CD1-CD2 3.81Å; I47-Y202 HydrophobicContact CD1-CE1 3.74Å; I47-Y202 HydrophobicContact CD1-CE2 3.77Å; I47-Y202 HydrophobicContact CD1-CG 3.82Å; I47-Y202 HydrophobicContact CG1-CD2 4.37Å; I47-Y202 HydrophobicContact CG1-CE1 3.99Å; I47-Y202 HydrophobicContact CG1-CE2 3.82Å; I47-Y202 PolarHBondContact N-OH 3.31Å
48A85Confident89.9Confident85 Ų8567.6 Ų67.670%0.70234%0.335SS*.THydrogen-bonded Turntrans-68.2-39.7-174.300000111.1D46 K50D46-A48 PolarHBondContact O-N 2.86Å; D46-A48 WeakPolarHBondContact OD1-CB 3.26Å; D46-A48 PolarHBondContact OD1-N 2.96Å; A48-K50 VanDerWaalsContact C-N 3.29Å
49K88.1Confident90Very high158 Ų15868.1 Ų68.169%0.68734%0.339SS*.THydrogen-bonded Turntrans-83.2-3.2175-62.9-177.2178.9-178.50113.6D46 I47 Q51D46-K49 HydrophobicContact CB-CB 4.14Å; D46-K49 PolarHBondContact O-N 3.24Å; D46-K49 PolarHBondContact OD1-N 2.93Å; D46-K49 VanDerWaalsContact OD1-N 3.11Å; I47-K49 PolarHBondContact O-N 2.8Å; K49-Q51 HydrophobicContact CB-CB 4.42Å; K49-Q51 PolarHBondContact O-N 3.18Å
50K89.4Confident90Very high154 Ų15467 Ų6767%0.6734%0.338SS*.THydrogen-bonded Turntrans49.734.6-168.9-60.6179178178.50112.7Y44 D46 I47 A48 P52Y44-K50 HydrophobicContact CD1-CB 4.32Å; Y44-K50 WeakPolarHBondContact CD1-O 3.19Å; Y44-K50 HydrophobicContact CE1-CB 3.91Å; Y44-K50 WeakPolarHBondContact CE1-O 3.24Å; D46-K50 CarbonylContact O-C 3.52Å; D46-K50 WeakPolarHBondContact O-CA 3.41Å; D46-K50 PolarHBondContact O-N 2.79Å; I47-K50 PolarHBondContact O-N 2.86Å; I47-K50 VanDerWaalsContact O-N 3.14Å; A48-K50 VanDerWaalsContact C-N 3.29Å; K50-P52 WeakPolarHBondContact O-CD 3.47Å
51Q92.4Very high89.8Confident83 Ų8368.5 Ų68.539%0.38835%0.347SS..EExtended strand (participates in β ladder)trans-76.2116.2179.9-177.867.547.500109Y44 A45 D46 K49Y44-Q51 CarbonylContact C-O 3.5Å; Y44-Q51 WeakPolarHBondContact CA-O 3.21Å; Y44-Q51 WeakPolarHBondContact CB-O 3.35Å; A45-Q51 HydrophobicContact CB-CG 4.38Å; A45-Q51 PolarHBondContact N-O 2.92Å; D46-Q51 HydrophobicContact CB-CB 3.93Å; D46-Q51 PolarHBondContact N-O 3.42Å; D46-Q51 PolarHBondContact O-N 2.96Å; K49-Q51 HydrophobicContact CB-CB 4.42Å; K49-Q51 PolarHBondContact O-N 3.18Å
52P94.5Very high89.6Confident63 Ų6367.1 Ų67.141%0.40935%0.345SS..EExtended strand (participates in β ladder)trans-68.9152.3-178.528.1-35.2000111.9K50 T54K50-P52 WeakPolarHBondContact O-CD 3.47Å; P52-T54 HydrophobicContact CG-CG2 4.41Å
53V92.2Very high89.7Confident6 Ų666.3 Ų66.34%0.03635%0.349CS..PPolyproline II helixtrans-68.7130.1164.6178.90000109.4M27 A28 T41 W42 G43 A45 T57 F59M27-V53 WeakPolarHBondContact O-CG1 3.34Å; A28-V53 HydrophobicContact CB-CG1 3.94Å; T41-V53 VanDerWaalsContact CB-O 3.25Å; T41-V53 WeakPolarHBondContact CB-O 3.48Å; T41-V53 HydrophobicContact CG2-CG1 4.04Å; T41-V53 PolarHBondContact OG1-O 2.7Å; T41-V53 VanDerWaalsContact OG1-O 3.05Å; W42-V53 WeakPolarHBondContact O-CG2 3.2Å; G43-V53 PolarHBondContact O-N 3.27Å; A45-V53 HydrophobicContact CB-CG2 4.25Å; V53-T57 HydrophobicContact CG1-CG2 4.41Å; V53-F59 HydrophobicContact CG1-CE2 4.11Å; V53-F59 HydrophobicContact CG1-CZ 3.68Å; V53-F59 HydrophobicContact CG2-CZ 4.25Å
54T94.1Very high89.6Confident49 Ų4966.8 Ų66.830%0.30135%0.348SS..  trans-128.5174.9177.8740000110.3P52 Q56 T57P52-T54 HydrophobicContact CG-CG2 4.41Å; T54-Q56 PolarHBondContact O-N 2.88Å; T54-Q56 PolarHBondContact OG1-N 3.03Å; T54-Q56 VanDerWaalsContact OG1-N 3.12Å; T54-T57 PolarHBondContact N-OG1 2.78Å; T54-T57 WeakPolarHBondContact O-CB 3.44Å; T54-T57 PolarHBondContact O-N 2.91Å; T54-T57 VanDerWaalsContact O-N 3.15Å; T54-T57 PolarHBondContact O-OG1 3.21Å; T54-T57 PolarHBondContact OG1-OG1 2.85Å
55Q91.5Very high89.7Confident131 Ų13164.3 Ų64.361%0.61235%0.346SS*.THydrogen-bonded Turntrans-63.7-17.1172.1-65.6178.838.500113Y39Y39-Q55 HydrophobicContact CD1-CG 4.49Å; Y39-Q55 HydrophobicContact CD2-CG 4.32Å; Y39-Q55 HydrophobicContact CG-CG 3.97Å
56Q92.7Very high90Very high96 Ų9665.8 Ų65.845%0.44935%0.351SS..THydrogen-bonded Turntrans-91.4-6.9178.3-55.8-57.1-25.700112.7T54 L58 N197T54-Q56 PolarHBondContact O-N 2.88Å; T54-Q56 PolarHBondContact OG1-N 3.03Å; T54-Q56 VanDerWaalsContact OG1-N 3.12Å; Q56-L58 PolarHBondContact O-N 2.81Å; Q56-N197 WeakPolarHBondContact O-CB 3.41Å
57T94.3Very high90.2Very high16 Ų1669.4 Ų69.410%0.09837%0.374CS..  trans-67127.9-176.6-63.50000111A45 V53 T54 F59 N197 A199A45-T57 HydrophobicContact CB-CG2 3.69Å; V53-T57 HydrophobicContact CG1-CG2 4.41Å; T54-T57 PolarHBondContact N-OG1 2.78Å; T54-T57 WeakPolarHBondContact O-CB 3.44Å; T54-T57 PolarHBondContact O-N 2.91Å; T54-T57 VanDerWaalsContact O-N 3.15Å; T54-T57 PolarHBondContact O-OG1 3.21Å; T54-T57 PolarHBondContact OG1-OG1 2.85Å; T57-F59 HydrophobicContact CG2-CD2 4.07Å; T57-F59 HydrophobicContact CG2-CE1 4.3Å; T57-F59 HydrophobicContact CG2-CE2 3.46Å; T57-F59 VanDerWaalsContact CG2-CE2 3.46Å; T57-F59 HydrophobicContact CG2-CZ 3.6Å; T57-F59 WeakPolarHBondContact O-CD2 3.06Å; T57-N197 CarbonylContact C-O 3.58Å; T57-N197 VanDerWaalsContact CA-O 3.27Å; T57-N197 WeakPolarHBondContact CA-O 3.12Å; T57-A199 HydrophobicContact CG2-CB 3.65Å
58L92.4Very high90.7Very high17 Ų1767.7 Ų67.79%0.08936%0.364CS..BIsolated β-bridgetrans-86.4128.1176.3-57.3174.7000110Q56 H185 W187 V190 E194 N197 Y198 A199Q56-L58 PolarHBondContact O-N 2.81Å; L58-H185 HydrophobicContact CD2-CB 4.37Å; L58-W187 HydrophobicContact CD1-CE3 4.05Å; L58-W187 HydrophobicContact CD1-CZ3 3.65Å; L58-W187 HydrophobicContact CD2-CE3 4.22Å; L58-W187 HydrophobicContact CD2-CZ3 3.63Å; L58-W187 HydrophobicContact CG-CZ3 4.28Å; L58-V190 HydrophobicContact CD1-CG1 3.83Å; L58-E194 HydrophobicContact CD1-CB 4.11Å; L58-N197 HydrophobicContact CD1-CB 4.17Å; L58-N197 HydrophobicContact CG-CB 3.99Å; L58-N197 PolarHBondContact N-O 2.83Å; L58-Y198 HydrophobicContact CB-CD2 4.45Å; L58-A199 WeakPolarHBondContact O-CB 3.34Å; L58-A199 PolarHBondContact O-N 2.99Å
59F90.8Very high91.3Very high84 Ų8464.4 Ų64.437%0.36834%0.335SS..  trans-117.2142.9176.3-67.8-89.7000109.7A28 V53 T57 L61 A199A28-F59 HydrophobicContact CB-CE2 3.78Å; A28-F59 HydrophobicContact CB-CZ 4.11Å; V53-F59 HydrophobicContact CG1-CE2 4.11Å; V53-F59 HydrophobicContact CG1-CZ 3.68Å; V53-F59 HydrophobicContact CG2-CZ 4.25Å; T57-F59 HydrophobicContact CG2-CD2 4.07Å; T57-F59 HydrophobicContact CG2-CE1 4.3Å; T57-F59 HydrophobicContact CG2-CE2 3.46Å; T57-F59 VanDerWaalsContact CG2-CE2 3.46Å; T57-F59 HydrophobicContact CG2-CZ 3.6Å; T57-F59 WeakPolarHBondContact O-CD2 3.06Å; F59-L61 PolarHBondContact O-N 2.8Å; F59-A199 HydrophobicContact CD1-CB 3.63Å; F59-A199 HydrophobicContact CE1-CB 3.56Å; F59-A199 HydrophobicContact CG-CB 4.29Å; F59-A199 HydrophobicContact CZ-CB 4.17Å
60E86.3Confident91.8Very high95 Ų9558.7 Ų58.744%0.44432%0.321SS..  trans-63.2123.8166.2-70.6178.3-160.800109.6G62 Y198E60-G62 PolarHBondContact O-N 3.26Å; E60-Y198 VanDerWaalsContact CD-OH 3.28Å; E60-Y198 WeakPolarHBondContact CG-OH 3.31Å; E60-Y198 PolarHBondContact OE1-OH 2.71Å
61L85.2Confident92.2Very high70 Ų7055 Ų5537%0.36631%0.311SS..  trans-73-17.4-178.7-64.7-175000113F59 S63 V64 S65 F68F59-L61 PolarHBondContact O-N 2.8Å; L61-S63 PolarHBondContact O-N 3.33Å; L61-V64 HydrophobicContact CB-CB 4.24Å; L61-V64 WeakPolarHBondContact O-CB 3.38Å; L61-V64 WeakPolarHBondContact O-CG2 3.35Å; L61-V64 PolarHBondContact O-N 2.75Å; L61-S65 WeakPolarHBondContact CB-OG 3.38Å; L61-F68 HydrophobicContact CD1-CD2 4.3Å; L61-F68 HydrophobicContact CD1-CE2 3.71Å; L61-F68 HydrophobicContact CD1-CZ 4.23Å
62G84.8Confident92.5Very high32 Ų3251.1 Ų51.133%0.3329%0.293SS..G310 helixtrans50.9-126.5-176.500000111.6E60 V64 S65E60-G62 PolarHBondContact O-N 3.26Å; G62-V64 VanDerWaalsContact C-N 3.26Å; G62-V64 PolarHBondContact O-N 3.05Å; G62-S65 WeakPolarHBondContact O-CB 3.48Å; G62-S65 PolarHBondContact O-N 3.17Å; G62-S65 PolarHBondContact O-OG 3.34Å; G62-S65 VanDerWaalsContact O-OG 3.1Å
63S87.7Confident92.7Very high45 Ų4548.1 Ų48.132%0.31527%0.274SS..G310 helixtrans-72.4-10.5-178.5-69.60000115.2L61 S65 K66 Y149L61-S63 PolarHBondContact O-N 3.33Å; S63-S65 PolarHBondContact O-N 2.99Å; S63-K66 PolarHBondContact O-N 2.98Å; S63-K66 PolarHBondContact OG-NZ 3.35Å; S63-K66 VanDerWaalsContact OG-NZ 3.17Å; S63-Y149 WeakPolarHBondContact CB-OH 3.21Å; S63-Y149 PolarHBondContact OG-OH 3.47Å
64V87.9Confident93Very high31 Ų3149.6 Ų49.619%0.18829%0.29CS..G310 helixtrans-62.2-30.4171-177.40000111L61 G62 K66 T67 F68 A222L61-V64 HydrophobicContact CB-CB 4.24Å; L61-V64 WeakPolarHBondContact O-CB 3.38Å; L61-V64 WeakPolarHBondContact O-CG2 3.35Å; L61-V64 PolarHBondContact O-N 2.75Å; G62-V64 VanDerWaalsContact C-N 3.26Å; G62-V64 PolarHBondContact O-N 3.05Å; V64-K66 PolarHBondContact O-N 3.17Å; V64-T67 WeakPolarHBondContact O-CB 3.45Å; V64-T67 PolarHBondContact O-N 2.64Å; V64-T67 PolarHBondContact O-OG1 3.27Å; V64-F68 HydrophobicContact CG1-CE2 4.35Å; V64-A222 VanDerWaalsContact CG2-C 3.46Å; V64-A222 HydrophobicContact CG2-CB 3.15Å; V64-A222 WeakPolarHBondContact CG2-O 3.37Å
65S91.9Very high93.2Very high52 Ų5248.8 Ų48.836%0.36428%0.283SS..Hα-helixtrans-53.3-25.4178.5-55.90000113.8L61 G62 S63 T67 F68 T69L61-S65 WeakPolarHBondContact CB-OG 3.38Å; G62-S65 WeakPolarHBondContact O-CB 3.48Å; G62-S65 PolarHBondContact O-N 3.17Å; G62-S65 PolarHBondContact O-OG 3.34Å; G62-S65 VanDerWaalsContact O-OG 3.1Å; S63-S65 PolarHBondContact O-N 2.99Å; S65-T67 VanDerWaalsContact C-N 3.25Å; S65-T67 PolarHBondContact O-N 2.93Å; S65-F68 WeakPolarHBondContact O-CB 3.31Å; S65-F68 PolarHBondContact O-N 2.9Å; S65-F68 VanDerWaalsContact O-N 3.1Å; S65-T69 PolarHBondContact O-N 3.03Å; S65-T69 VanDerWaalsContact O-N 3.15Å; S65-T69 PolarHBondContact O-OG1 2.84Å
66K94Very high93.6Very high34 Ų3442.5 Ų42.515%0.14825%0.254CS..Hα-helixtrans-64.3-29.9177.8-66.3167.5170.978.40113S63 V64 F68 T69 G70 Y111 Y149 N151 I154S63-K66 PolarHBondContact O-N 2.98Å; S63-K66 PolarHBondContact OG-NZ 3.35Å; S63-K66 VanDerWaalsContact OG-NZ 3.17Å; V64-K66 PolarHBondContact O-N 3.17Å; K66-F68 VanDerWaalsContact C-N 3.29Å; K66-F68 PolarHBondContact O-N 3.47Å; K66-T69 WeakPolarHBondContact O-CB 3.45Å; K66-T69 PolarHBondContact O-N 2.8Å; K66-G70 PolarHBondContact O-N 2.72Å; K66-Y111 WeakPolarHBondContact CD-OH 3.33Å; K66-Y149 HydrophobicContact CD-CE2 3.98Å; K66-Y149 VanDerWaalsContact CD-OH 3.31Å; K66-Y149 WeakPolarHBondContact CD-OH 3.41Å; K66-Y149 VanDerWaalsContact CE-CZ 3.41Å; K66-Y149 WeakPolarHBondContact CE-OH 3.27Å; K66-Y149 PolarHBondContact NZ-OH 2.94Å; K66-N151 WeakPolarHBondContact CE-OD1 3.34Å; K66-N151 PolarHBondContact NZ-OD1 3.16Å; K66-I154 HydrophobicContact CB-CG1 4.4Å; K66-I154 HydrophobicContact CD-CG2 4.1Å; K66-I154 HydrophobicContact CG-CG1 4.26Å; K66-I154 HydrophobicContact CG-CG2 3.96Å
67T94.4Very high93.9Very high81 Ų8141.2 Ų41.250%0.49725%0.249SC..Hα-helixtrans-63.6-38.4174.262.30000110.9V64 S65 G70 V71V64-T67 WeakPolarHBondContact O-CB 3.45Å; V64-T67 PolarHBondContact O-N 2.64Å; V64-T67 PolarHBondContact O-OG1 3.27Å; S65-T67 VanDerWaalsContact C-N 3.25Å; S65-T67 PolarHBondContact O-N 2.93Å; T67-G70 PolarHBondContact O-N 2.83Å; T67-V71 WeakPolarHBondContact O-CG2 3.33Å; T67-V71 PolarHBondContact O-N 3.47Å
68F95.9Very high94Very high40 Ų4044.7 Ų44.718%0.17528%0.28CS..Hα-helixtrans-66.7-42173.7-66.2-92.8000112L61 V64 S65 K66 G70 V71 L72 M173 V177 F178 L183L61-F68 HydrophobicContact CD1-CD2 4.3Å; L61-F68 HydrophobicContact CD1-CE2 3.71Å; L61-F68 HydrophobicContact CD1-CZ 4.23Å; V64-F68 HydrophobicContact CG1-CE2 4.35Å; S65-F68 WeakPolarHBondContact O-CB 3.31Å; S65-F68 PolarHBondContact O-N 2.9Å; S65-F68 VanDerWaalsContact O-N 3.1Å; K66-F68 VanDerWaalsContact C-N 3.29Å; K66-F68 PolarHBondContact O-N 3.47Å; F68-G70 VanDerWaalsContact C-N 3.26Å; F68-G70 PolarHBondContact O-N 3.48Å; F68-V71 PolarHBondContact O-N 3.18Å; F68-L72 PolarHBondContact O-N 3.02Å; F68-M173 HydrophobicContact CB-CE 3.88Å; F68-M173 HydrophobicContact CB-SD 3.89Å; F68-V177 HydrophobicContact CD1-CG1 4.04Å; F68-F178 HydrophobicContact CD1-CD1 4.3Å; F68-F178 AromaticContact CD1-CE1 3.65Å; F68-F178 HydrophobicContact CD1-CE1 3.65Å; F68-F178 HydrophobicContact CE1-CD1 4.41Å; F68-F178 AromaticContact CE1-CE1 3.96Å; F68-F178 HydrophobicContact CE1-CE1 3.96Å; F68-F178 HydrophobicContact CG-CE1 4.43Å; F68-L183 HydrophobicContact CE1-CD1 3.65Å; F68-L183 HydrophobicContact CZ-CD1 4.44Å
69T97.8Very high94.3Very high16 Ų1650.3 Ų50.310%0.09830%0.3CS..Hα-helixtrans-57.4-41.8171.7-49.30000111.3S65 K66 L72 G73 I154 F157 F169S65-T69 PolarHBondContact O-N 3.03Å; S65-T69 VanDerWaalsContact O-N 3.15Å; S65-T69 PolarHBondContact O-OG1 2.84Å; K66-T69 WeakPolarHBondContact O-CB 3.45Å; K66-T69 PolarHBondContact O-N 2.8Å; T69-L72 PolarHBondContact O-N 2.97Å; T69-G73 PolarHBondContact O-N 3.38Å; T69-I154 HydrophobicContact CG2-CD1 4.24Å; T69-I154 HydrophobicContact CG2-CG1 4.21Å; T69-F157 HydrophobicContact CG2-CD1 3.97Å; T69-F157 HydrophobicContact CG2-CE1 4.39Å; T69-F169 HydrophobicContact CG2-CE2 4.15Å; T69-F169 HydrophobicContact CG2-CZ 4.42Å
70G98Very high94.7Very high38 Ų3849.5 Ų49.539%0.39232%0.316SS..Hα-helixtrans-61.8-45.1174.700000113K66 T67 F68 G73 G74K66-G70 PolarHBondContact O-N 2.72Å; T67-G70 PolarHBondContact O-N 2.83Å; F68-G70 VanDerWaalsContact C-N 3.26Å; F68-G70 PolarHBondContact O-N 3.48Å; G70-G73 PolarHBondContact O-N 3.31Å; G70-G74 PolarHBondContact O-N 3.29Å
71V98.2Very high95.2Very high76 Ų7647 Ų4746%0.46130%0.304SS..Hα-helixtrans-60.8-44.9175.5172.20000111.2T67 F68 G73 G74 D75 V177T67-V71 WeakPolarHBondContact O-CG2 3.33Å; T67-V71 PolarHBondContact O-N 3.47Å; F68-V71 PolarHBondContact O-N 3.18Å; V71-G73 VanDerWaalsContact C-N 3.34Å; V71-G73 PolarHBondContact O-N 3.02Å; V71-G74 WeakPolarHBondContact O-CA 3.33Å; V71-G74 PolarHBondContact O-N 3.44Å; V71-G74 VanDerWaalsContact O-N 3.13Å; V71-D75 PolarHBondContact O-N 3.43Å; V71-V177 HydrophobicContact CG1-CG1 3.95Å; V71-V177 HydrophobicContact CG1-CG2 4.07Å
72L98.4Very high95.9Very high1 Ų144 Ų441%0.00529%0.288CS..Hα-helixtrans-63.8-39.4177.8-176.857.2000112.1F68 T69 G74 D75 A76 V162 F169 A172 M173 R176 V177F68-L72 PolarHBondContact O-N 3.02Å; T69-L72 PolarHBondContact O-N 2.97Å; L72-G74 VanDerWaalsContact C-N 3.34Å; L72-D75 PolarHBondContact O-N 3.27Å; L72-A76 PolarHBondContact O-N 3.47Å; L72-V162 HydrophobicContact CD1-CG1 4.29Å; L72-V162 HydrophobicContact CD2-CG1 3.67Å; L72-V162 HydrophobicContact CG-CG1 3.87Å; L72-F169 HydrophobicContact CD2-CD2 3.95Å; L72-F169 HydrophobicContact CD2-CE2 3.73Å; L72-F169 HydrophobicContact CD2-CZ 4.41Å; L72-A172 HydrophobicContact CD1-CB 4.05Å; L72-A172 HydrophobicContact CD2-CB 4.06Å; L72-M173 HydrophobicContact CB-CE 4.05Å; L72-M173 HydrophobicContact CB-SD 4.49Å; L72-M173 HydrophobicContact CD2-CB 4.26Å; L72-M173 HydrophobicContact CD2-CE 3.75Å; L72-M173 HydrophobicContact CD2-SD 4.39Å; L72-R176 HydrophobicContact CD1-CB 3.94Å; L72-V177 HydrophobicContact CB-CG2 3.91Å; L72-V177 HydrophobicContact CD1-CG2 4.01Å
73G98.6Very high96.6Very high1 Ų149 Ų491%0.0130%0.3CS..Hα-helixtrans-62.8-39.6171.400000112.7T69 G70 V71 A76 I77T69-G73 PolarHBondContact O-N 3.38Å; G70-G73 PolarHBondContact O-N 3.31Å; V71-G73 VanDerWaalsContact C-N 3.34Å; V71-G73 PolarHBondContact O-N 3.02Å; G73-A76 PolarHBondContact O-N 2.91Å; G73-I77 WeakPolarHBondContact O-CD1 3.49Å; G73-I77 VanDerWaalsContact O-CG1 3.28Å; G73-I77 WeakPolarHBondContact O-CG1 3.34Å; G73-I77 PolarHBondContact O-N 3.48Å
74G98.5Very high97.1Very high36 Ų3649.8 Ų49.837%0.37130%0.301SS..Hα-helixtrans-61.3-42.5172.600000113.1G70 V71 L72 I77 A78G70-G74 PolarHBondContact O-N 3.29Å; V71-G74 WeakPolarHBondContact O-CA 3.33Å; V71-G74 PolarHBondContact O-N 3.44Å; V71-G74 VanDerWaalsContact O-N 3.13Å; L72-G74 VanDerWaalsContact C-N 3.34Å; G74-I77 PolarHBondContact O-N 2.92Å; G74-A78 WeakPolarHBondContact O-CB 3.13Å; G74-A78 PolarHBondContact O-N 3.34Å
75D98.6Very high97.6Very high32 Ų3252.3 Ų52.317%0.17132%0.32CS..Hα-helixtrans-61.2-45.8173.2170.388.1000111.6V71 L72 I77 A78 R79 R176V71-D75 PolarHBondContact O-N 3.43Å; L72-D75 PolarHBondContact O-N 3.27Å; D75-I77 VanDerWaalsContact C-N 3.3Å; D75-I77 PolarHBondContact O-N 3.34Å; D75-A78 PolarHBondContact O-N 3.26Å; D75-A78 VanDerWaalsContact O-N 3.16Å; D75-R79 VanDerWaalsContact CG-NE 3.26Å; D75-R79 WeakPolarHBondContact O-CG 3.36Å; D75-R79 PolarHBondContact O-N 2.98Å; D75-R79 IonicContact OD1-CZ 3.84Å; D75-R79 IonicContact OD1-NE 3.88Å; D75-R79 PolarHBondContact OD1-NE 3.39Å; D75-R79 IonicContact OD1-NH2 3.94Å; D75-R79 PolarHBondContact OD1-NH2 3.28Å; D75-R79 WeakPolarHBondContact OD2-CD 3.42Å; D75-R79 IonicContact OD2-CZ 3.57Å; D75-R79 IonicContact OD2-NE 3.47Å; D75-R79 PolarHBondContact OD2-NE 3.01Å; D75-R79 IonicContact OD2-NH2 3.53Å; D75-R176 VanDerWaalsContact OD2-CD 3.27Å; D75-R176 WeakPolarHBondContact OD2-CD 3.41Å; D75-R176 IonicContact OD2-CZ 3.4Å; D75-R176 IonicContact OD2-NE 2.7Å; D75-R176 IonicContact OD2-NH1 3.81Å; D75-R176 PolarHBondContact OD2-NH1 2.8Å
76A98.7Very high97.9Very high0 Ų050.8 Ų50.80%031%0.308CS..Hα-helixtrans-60.8-37.5176.700000112.6L72 G73 R79 G80 E81 I82 A161L72-A76 PolarHBondContact O-N 3.47Å; G73-A76 PolarHBondContact O-N 2.91Å; A76-R79 PolarHBondContact O-N 3.05Å; A76-G80 PolarHBondContact O-N 2.93Å; A76-E81 HydrophobicContact CB-CB 4.45Å; A76-E81 WeakPolarHBondContact O-CB 3.49Å; A76-E81 PolarHBondContact O-N 2.67Å; A76-I82 HydrophobicContact CB-CD1 3.81Å; A76-I82 HydrophobicContact CB-CG1 3.92Å; A76-A161 WeakPolarHBondContact CB-O 3.41Å
77I98.7Very high98.1Very high68 Ų6851.6 Ų51.635%0.34932%0.316SS..Hα-helixtrans-65-47.5173.3-65.6160.7000110.7G73 G74 D75 R79 G80 I82 L84G73-I77 WeakPolarHBondContact O-CD1 3.49Å; G73-I77 VanDerWaalsContact O-CG1 3.28Å; G73-I77 WeakPolarHBondContact O-CG1 3.34Å; G73-I77 PolarHBondContact O-N 3.48Å; G74-I77 PolarHBondContact O-N 2.92Å; D75-I77 VanDerWaalsContact C-N 3.3Å; D75-I77 PolarHBondContact O-N 3.34Å; I77-R79 PolarHBondContact O-N 3.3Å; I77-G80 PolarHBondContact O-N 2.96Å; I77-I82 HydrophobicContact CG1-CD1 4.13Å; I77-I82 HydrophobicContact CG1-CG1 3.71Å; I77-L84 HydrophobicContact CD1-CD1 3.85Å; I77-L84 HydrophobicContact CD1-CD2 4.07Å; I77-L84 HydrophobicContact CD1-CG 3.64Å
78A98.3Very high98.3Very high90 Ų9047.7 Ų47.774%0.74429%0.293SS*.Hα-helixtrans-62.9-27.9-179.100000112.8G74 D75 G80G74-A78 WeakPolarHBondContact O-CB 3.13Å; G74-A78 PolarHBondContact O-N 3.34Å; D75-A78 PolarHBondContact O-N 3.26Å; D75-A78 VanDerWaalsContact O-N 3.16Å; A78-G80 VanDerWaalsContact C-N 3.3Å
79R97.9Very high98.4Very high135 Ų13547.5 Ų47.551%0.50930%0.295SS..THydrogen-bonded Turntrans-80.4-6.6172.9-68.2174.1-172.8-75.3-12.4114.1D75 A76 I77 E81D75-R79 VanDerWaalsContact CG-NE 3.26Å; D75-R79 WeakPolarHBondContact O-CG 3.36Å; D75-R79 PolarHBondContact O-N 2.98Å; D75-R79 IonicContact OD1-CZ 3.84Å; D75-R79 IonicContact OD1-NE 3.88Å; D75-R79 PolarHBondContact OD1-NE 3.39Å; D75-R79 IonicContact OD1-NH2 3.94Å; D75-R79 PolarHBondContact OD1-NH2 3.28Å; D75-R79 WeakPolarHBondContact OD2-CD 3.42Å; D75-R79 IonicContact OD2-CZ 3.57Å; D75-R79 IonicContact OD2-NE 3.47Å; D75-R79 PolarHBondContact OD2-NE 3.01Å; D75-R79 IonicContact OD2-NH2 3.53Å; A76-R79 PolarHBondContact O-N 3.05Å; I77-R79 PolarHBondContact O-N 3.3Å; R79-E81 VanDerWaalsContact C-N 3.27Å; R79-E81 HydrophobicContact CB-CG 3.89Å; R79-E81 WeakPolarHBondContact CD-OE1 3.45Å; R79-E81 PolarHBondContact O-N 3.39Å
80G98.2Very high98.4Very high67 Ų6751.9 Ų51.969%0.69131%0.313SS*.THydrogen-bonded Turntrans73.915.4-175.900000114.3A76 I77 A78A76-G80 PolarHBondContact O-N 2.93Å; I77-G80 PolarHBondContact O-N 2.96Å; A78-G80 VanDerWaalsContact C-N 3.3Å
81E98.6Very high98.4Very high43 Ų4351.2 Ų51.220%0.20130%0.298CS..SBendtrans-76.9-35.4-177.8-68.5172.4-175.600111.8A76 R79 Y91 P164 R176A76-E81 HydrophobicContact CB-CB 4.45Å; A76-E81 WeakPolarHBondContact O-CB 3.49Å; A76-E81 PolarHBondContact O-N 2.67Å; R79-E81 VanDerWaalsContact C-N 3.27Å; R79-E81 HydrophobicContact CB-CG 3.89Å; R79-E81 WeakPolarHBondContact CD-OE1 3.45Å; R79-E81 PolarHBondContact O-N 3.39Å; E81-Y91 PolarHBondContact O-OH 3.43Å; E81-P164 HydrophobicContact CB-CB 4Å; E81-P164 HydrophobicContact CB-CG 4.31Å; E81-P164 HydrophobicContact CG-CB 4.42Å; E81-R176 IonicContact OE1-CZ 2.87Å; E81-R176 IonicContact OE1-NH1 3.51Å; E81-R176 PolarHBondContact OE1-NH1 2.78Å; E81-R176 IonicContact OE1-NH2 2.84Å; E81-R176 PolarHBondContact OE1-NH2 3.05Å; E81-R176 IonicContact OE2-CZ 3.29Å; E81-R176 IonicContact OE2-NH1 2.79Å; E81-R176 PolarHBondContact OE2-NH1 2.96Å; E81-R176 IonicContact OE2-NH2 3.02Å
82I98.7Very high98.4Very high5 Ų549.2 Ų49.23%0.02628%0.282CS..  trans-136.2155.8179.872.1178.5000112.7A76 I77 Y91 L105 A161 P164A76-I82 HydrophobicContact CB-CD1 3.81Å; A76-I82 HydrophobicContact CB-CG1 3.92Å; I77-I82 HydrophobicContact CG1-CD1 4.13Å; I77-I82 HydrophobicContact CG1-CG1 3.71Å; I82-Y91 WeakPolarHBondContact CA-OH 3.42Å; I82-Y91 HydrophobicContact CB-CE2 4.42Å; I82-Y91 HydrophobicContact CG2-CE1 3.97Å; I82-Y91 HydrophobicContact CG2-CE2 4.14Å; I82-L105 HydrophobicContact CB-CD1 3.93Å; I82-L105 HydrophobicContact CD1-CD1 3.93Å; I82-L105 HydrophobicContact CG1-CD1 4.39Å; I82-L105 HydrophobicContact CG2-CD1 4.19Å; I82-A161 HydrophobicContact CD1-CB 3.68Å; I82-A161 WeakPolarHBondContact CG2-O 3.25Å; I82-P164 HydrophobicContact CG2-CG 4.02Å
83K98.7Very high98.3Very high137 Ų13753.5 Ų53.560%0.59631%0.311SS*.  trans-115.2144.2160.3-58.6179.7-173.7-177.50109.1S85 D86K83-S85 PolarHBondContact O-N 3.13Å; K83-D86 WeakPolarHBondContact CB-OD2 3.33Å; K83-D86 PolarHBondContact N-OD2 3.31Å; K83-D86 VanDerWaalsContact O-CB 3.26Å; K83-D86 WeakPolarHBondContact O-CB 3.32Å; K83-D86 PolarHBondContact O-N 2.83Å
84L98.6Very high98.3Very high62 Ų6258.6 Ų58.633%0.32533%0.334SS..THydrogen-bonded Turntrans-62.1-26.4175.3-73.2169000112.5I77 D86 T104 L105 L106 F157I77-L84 HydrophobicContact CD1-CD1 3.85Å; I77-L84 HydrophobicContact CD1-CD2 4.07Å; I77-L84 HydrophobicContact CD1-CG 3.64Å; L84-D86 VanDerWaalsContact C-N 3.28Å; L84-D86 PolarHBondContact O-N 2.98Å; L84-T104 WeakPolarHBondContact O-CB 3.27Å; L84-L105 PolarHBondContact O-N 3.47Å; L84-L106 HydrophobicContact CB-CB 4.06Å; L84-L106 HydrophobicContact CB-CD1 4.41Å; L84-L106 HydrophobicContact CD1-CD1 4.26Å; L84-L106 WeakPolarHBondContact O-CB 3.33Å; L84-L106 PolarHBondContact O-N 2.97Å; L84-F157 HydrophobicContact CD2-CE2 4.03Å; L84-F157 HydrophobicContact CD2-CZ 4.41Å
85S98.6Very high98.2Very high84 Ų8457 Ų5759%0.58732%0.317SS*.THydrogen-bonded Turntrans-77.2-9.6174.660.70000114.1K83 T104K83-S85 PolarHBondContact O-N 3.13Å; S85-T104 WeakPolarHBondContact O-CG2 3.49Å
86D98.7Very high98.1Very high20 Ų2060.5 Ų60.511%0.10734%0.34CS..SBendtrans-66.4138.3179.6-74.9-42000110.3K83 L84 K90 Y91 T104 L105K83-D86 WeakPolarHBondContact CB-OD2 3.33Å; K83-D86 PolarHBondContact N-OD2 3.31Å; K83-D86 VanDerWaalsContact O-CB 3.26Å; K83-D86 WeakPolarHBondContact O-CB 3.32Å; K83-D86 PolarHBondContact O-N 2.83Å; L84-D86 VanDerWaalsContact C-N 3.28Å; L84-D86 PolarHBondContact O-N 2.98Å; D86-K90 HydrophobicContact CB-CD 3.95Å; D86-K90 IonicContact OD1-NZ 3.64Å; D86-K90 PolarHBondContact OD1-NZ 2.79Å; D86-K90 IonicContact OD2-NZ 2.67Å; D86-K90 PolarHBondContact OD2-NZ 2.89Å; D86-Y91 HydrophobicContact CB-CE2 3.61Å; D86-Y91 PolarHBondContact OD2-OH 2.9Å; D86-T104 CarbonylContact O-C 3.57Å; D86-T104 VanDerWaalsContact O-CA 3.23Å; D86-T104 WeakPolarHBondContact O-CA 3.23Å; D86-T104 WeakPolarHBondContact O-CB 3.32Å; D86-L105 PolarHBondContact O-N 3.16Å
87P98.5Very high98Very high51 Ų5161.6 Ų61.633%0.33135%0.348SS..BIsolated β-bridgetrans-67.1142.2175.128.3-32.6000110T89 K90 I103P87-T89 PolarHBondContact O-N 3.44Å; P87-K90 HydrophobicContact CG-CB 4.12Å; P87-K90 WeakPolarHBondContact O-CB 3.31Å; P87-K90 PolarHBondContact O-N 3.06Å; P87-I103 WeakPolarHBondContact CA-O 3.49Å
88A98.4Very high97.9Very high0 Ų066.8 Ų66.80%037%0.369CS..G310 helixtrans-56.2-35.6178.900000112.1K90 Y91 W92 W100 I103 L108 L160A88-K90 PolarHBondContact O-N 2.81Å; A88-Y91 PolarHBondContact O-N 3.13Å; A88-W92 PolarHBondContact O-N 3.28Å; A88-W100 HydrophobicContact CB-CE3 4.19Å; A88-W100 HydrophobicContact CB-CZ3 4.3Å; A88-I103 PolarHBondContact N-O 3.31Å; A88-L108 HydrophobicContact CB-CD1 3.97Å; A88-L160 HydrophobicContact CB-CD1 3.82Å
89T98.1Very high97.7Very high36 Ų3663.8 Ų63.822%0.22134%0.339CS..G310 helixtrans-62.7-20.1178.258.10000113.9P87 Y91 W92 P93 L95 W100P87-T89 PolarHBondContact O-N 3.44Å; T89-Y91 VanDerWaalsContact C-N 3.27Å; T89-Y91 PolarHBondContact O-N 3.49Å; T89-W92 CarbonylContact O-C 3.36Å; T89-P93 WeakPolarHBondContact O-CA 3.46Å; T89-L95 HydrophobicContact CG2-CB 4.21Å; T89-L95 VanDerWaalsContact CG2-O 3.23Å; T89-L95 WeakPolarHBondContact CG2-O 3.26Å; T89-W100 HydrophobicContact CG2-CB 3.8Å
90K98.3Very high97.7Very high108 Ų10857.4 Ų57.447%0.4732%0.315SS..G310 helixtrans-63-35.1171.8-178.4-176.4176.6-168.50112D86 P87 A88D86-K90 HydrophobicContact CB-CD 3.95Å; D86-K90 IonicContact OD1-NZ 3.64Å; D86-K90 PolarHBondContact OD1-NZ 2.79Å; D86-K90 IonicContact OD2-NZ 2.67Å; D86-K90 PolarHBondContact OD2-NZ 2.89Å; P87-K90 HydrophobicContact CG-CB 4.12Å; P87-K90 WeakPolarHBondContact O-CB 3.31Å; P87-K90 PolarHBondContact O-N 3.06Å; A88-K90 PolarHBondContact O-N 2.81Å
91Y98.1Very high97.6Very high23 Ų2359.7 Ų59.79%0.0931%0.311CS..THydrogen-bonded Turntrans-101.9-8-175.7-60.2-67.5000113.4E81 I82 D86 A88 T89 L105 P164E81-Y91 PolarHBondContact O-OH 3.43Å; I82-Y91 WeakPolarHBondContact CA-OH 3.42Å; I82-Y91 HydrophobicContact CB-CE2 4.42Å; I82-Y91 HydrophobicContact CG2-CE1 3.97Å; I82-Y91 HydrophobicContact CG2-CE2 4.14Å; D86-Y91 HydrophobicContact CB-CE2 3.61Å; D86-Y91 PolarHBondContact OD2-OH 2.9Å; A88-Y91 PolarHBondContact O-N 3.13Å; T89-Y91 VanDerWaalsContact C-N 3.27Å; T89-Y91 PolarHBondContact O-N 3.49Å; Y91-L105 HydrophobicContact CD2-CD1 3.82Å; Y91-L105 HydrophobicContact CD2-CD2 4.19Å; Y91-L105 HydrophobicContact CD2-CG 4.2Å; Y91-L105 HydrophobicContact CE2-CD1 3.56Å; Y91-L105 HydrophobicContact CE2-CG 4.22Å; Y91-P164 HydrophobicContact CD1-CG 3.71Å; Y91-P164 HydrophobicContact CE1-CG 3.38Å
92W97.2Very high97.3Very high34 Ų3460 Ų6013%0.12933%0.326CS..  trans-144.678.8171.2-163.36.1000110.1A88 T89 E94 L95 L130 L131 Y134 L156 L160A88-W92 PolarHBondContact O-N 3.28Å; T89-W92 CarbonylContact O-C 3.36Å; W92-E94 PolarHBondContact O-N 2.85Å; W92-E94 VanDerWaalsContact O-N 3.1Å; W92-L95 HydrophobicContact CB-CD1 4.09Å; W92-L95 HydrophobicContact CB-CG 4.27Å; W92-L95 HydrophobicContact CD2-CD1 3.98Å; W92-L95 HydrophobicContact CD2-CG 3.83Å; W92-L95 HydrophobicContact CE3-CD1 3.5Å; W92-L95 HydrophobicContact CE3-CD2 4.24Å; W92-L95 HydrophobicContact CE3-CG 3.76Å; W92-L95 HydrophobicContact CG-CD1 4.23Å; W92-L95 HydrophobicContact CG-CG 4.04Å; W92-L95 HydrophobicContact CZ3-CD1 4.26Å; W92-L95 HydrophobicContact CZ3-CD2 4.42Å; W92-L95 HydrophobicContact CZ3-CG 4.42Å; W92-L95 WeakPolarHBondContact O-CB 3.29Å; W92-L95 PolarHBondContact O-N 2.84Å; W92-L130 HydrophobicContact CH2-CD2 4.06Å; W92-L130 HydrophobicContact CH2-CG 4.06Å; W92-L131 HydrophobicContact CH2-CB 4.36Å; W92-L131 HydrophobicContact CH2-CD1 4.46Å; W92-L131 HydrophobicContact CZ2-CB 3.84Å; W92-L131 HydrophobicContact CZ2-CD1 3.86Å; W92-L131 HydrophobicContact CZ2-CG 4.4Å; W92-Y134 AromaticContact CH2-CD2 4Å; W92-Y134 HydrophobicContact CH2-CD2 4Å; W92-Y134 HydrophobicContact CH2-CE2 4.45Å; W92-Y134 AromaticContact CZ3-CD2 3.68Å; W92-Y134 HydrophobicContact CZ3-CD2 3.68Å; W92-Y134 HydrophobicContact CZ3-CE2 4.03Å; W92-L156 HydrophobicContact CE3-CD1 3.66Å; W92-L156 HydrophobicContact CZ3-CD1 3.51Å; W92-L160 HydrophobicContact CB-CD2 3.63Å; W92-L160 HydrophobicContact CD2-CD2 4.46Å; W92-L160 HydrophobicContact CE3-CD2 4.15Å; W92-L160 HydrophobicContact CG-CD2 4.33Å
93P97.3Very high97.3Very high92 Ų9259.8 Ų59.860%0.59733%0.325SS*.THydrogen-bonded Turntrans-58.8-22.5-175.2-26.636.5000114.7T89 L95 T96T89-P93 WeakPolarHBondContact O-CA 3.46Å; P93-L95 PolarHBondContact O-N 2.85Å; P93-T96 WeakPolarHBondContact O-CG2 3.48Å
94E97.3Very high97.3Very high108 Ų10854.3 Ų54.351%0.50530%0.303SS..THydrogen-bonded Turntrans-69.4-14.2175.6-60.292.3140.800113.2W92 T96 L131 Q135W92-E94 PolarHBondContact O-N 2.85Å; W92-E94 VanDerWaalsContact O-N 3.1Å; E94-T96 PolarHBondContact O-N 2.87Å; E94-T96 VanDerWaalsContact O-N 3.11Å; E94-L131 HydrophobicContact CB-CD1 4.1Å; E94-L131 HydrophobicContact CB-CD2 3.83Å; E94-Q135 PolarHBondContact O-NE2 3.12Å
95L96.4Very high97.3Very high3 Ų351.3 Ų51.32%0.01629%0.288CS..  trans-75.688.6166.8-72.5176.4000110.2T89 W92 P93 W100 L131T89-L95 HydrophobicContact CG2-CB 4.21Å; T89-L95 VanDerWaalsContact CG2-O 3.23Å; T89-L95 WeakPolarHBondContact CG2-O 3.26Å; W92-L95 HydrophobicContact CB-CD1 4.09Å; W92-L95 HydrophobicContact CB-CG 4.27Å; W92-L95 HydrophobicContact CD2-CD1 3.98Å; W92-L95 HydrophobicContact CD2-CG 3.83Å; W92-L95 HydrophobicContact CE3-CD1 3.5Å; W92-L95 HydrophobicContact CE3-CD2 4.24Å; W92-L95 HydrophobicContact CE3-CG 3.76Å; W92-L95 HydrophobicContact CG-CD1 4.23Å; W92-L95 HydrophobicContact CG-CG 4.04Å; W92-L95 HydrophobicContact CZ3-CD1 4.26Å; W92-L95 HydrophobicContact CZ3-CD2 4.42Å; W92-L95 HydrophobicContact CZ3-CG 4.42Å; W92-L95 WeakPolarHBondContact O-CB 3.29Å; W92-L95 PolarHBondContact O-N 2.84Å; P93-L95 PolarHBondContact O-N 2.85Å; L95-W100 HydrophobicContact CB-CG 4.32Å; L95-W100 HydrophobicContact CD1-CD2 4.05Å; L95-W100 HydrophobicContact CD1-CE3 4.02Å; L95-W100 HydrophobicContact CD1-CH2 4.48Å; L95-W100 HydrophobicContact CD1-CZ3 4.23Å; L95-W100 HydrophobicContact CD2-CD2 4.36Å; L95-W100 HydrophobicContact CD2-CZ2 4.35Å; L95-L131 HydrophobicContact CD2-CD1 3.8Å; L95-L131 HydrophobicContact CG-CD1 4.27Å
96T97.2Very high97.3Very high105 Ų10550.9 Ų50.964%0.64428%0.279SS*.  trans-105.9-13.4-172.457.40000115.1P93 E94 Q135P93-T96 WeakPolarHBondContact O-CG2 3.48Å; E94-T96 PolarHBondContact O-N 2.87Å; E94-T96 VanDerWaalsContact O-N 3.11Å; T96-Q135 PolarHBondContact OG1-NE2 2.73Å
97A97.2Very high97.3Very high22 Ų2251.6 Ų51.618%0.18228%0.281CS..SBendtrans-68.3139.8-178.100000111.1Q99 W100 Q135A97-Q99 PolarHBondContact O-N 2.8Å; A97-W100 WeakPolarHBondContact O-CB 3.47Å; A97-W100 PolarHBondContact O-N 2.99Å; A97-Q135 WeakPolarHBondContact CB-O 3.25Å
98K96.2Very high97.3Very high177 Ų17749.1 Ų49.177%0.7727%0.265SS*.G310 helixtrans-57.5-27.5-166.2-68-176.2178.7179.90114.3W100 N101K98-W100 PolarHBondContact O-N 3.37Å; K98-N101 WeakPolarHBondContact O-CB 3.39Å; K98-N101 VanDerWaalsContact O-CG 3.3Å; K98-N101 PolarHBondContact O-N 2.84Å; K98-N101 PolarHBondContact O-ND2 2.91Å
99Q94.5Very high97.3Very high28 Ų2850.2 Ų50.213%0.13127%0.274CS..G310 helixtrans-64.6-19.3178.266.6-85.123.400113.8A97 N101 I103 Q135 W137 P139A97-Q99 PolarHBondContact O-N 2.8Å; Q99-N101 VanDerWaalsContact C-N 3.27Å; Q99-I103 VanDerWaalsContact O-CD1 3.28Å; Q99-I103 WeakPolarHBondContact O-CD1 3.4Å; Q99-Q135 PolarHBondContact NE2-O 2.82Å; Q99-W137 HydrophobicContact CG-CE3 4.29Å; Q99-W137 HydrophobicContact CG-CZ3 4.39Å; Q99-W137 WeakPolarHBondContact CG-O 3.39Å; Q99-W137 PolarHBondContact NE2-O 3.02Å; Q99-P139 HydrophobicContact CB-CG 4.05Å
100W97.5Very high97.3Very high0 Ų051.2 Ų51.20%028%0.28CS..G310 helixtrans-78.6-11.8174.4-71.196000113.3A88 T89 L95 A97 K98 G102 I103 L108 Y134 W137 L156A88-W100 HydrophobicContact CB-CE3 4.19Å; A88-W100 HydrophobicContact CB-CZ3 4.3Å; T89-W100 HydrophobicContact CG2-CB 3.8Å; L95-W100 HydrophobicContact CB-CG 4.32Å; L95-W100 HydrophobicContact CD1-CD2 4.05Å; L95-W100 HydrophobicContact CD1-CE3 4.02Å; L95-W100 HydrophobicContact CD1-CH2 4.48Å; L95-W100 HydrophobicContact CD1-CZ3 4.23Å; L95-W100 HydrophobicContact CD2-CD2 4.36Å; L95-W100 HydrophobicContact CD2-CZ2 4.35Å; A97-W100 WeakPolarHBondContact O-CB 3.47Å; A97-W100 PolarHBondContact O-N 2.99Å; K98-W100 PolarHBondContact O-N 3.37Å; W100-G102 PolarHBondContact O-N 2.84Å; W100-I103 HydrophobicContact CD2-CD1 4.33Å; W100-I103 HydrophobicContact CE3-CB 4.1Å; W100-I103 HydrophobicContact CE3-CD1 3.94Å; W100-I103 HydrophobicContact CE3-CG2 4.07Å; W100-I103 HydrophobicContact CZ3-CD1 4.25Å; W100-I103 HydrophobicContact CZ3-CG2 3.99Å; W100-I103 PolarHBondContact O-N 3.29Å; W100-I103 VanDerWaalsContact O-N 3.14Å; W100-L108 HydrophobicContact CZ3-CD2 4.24Å; W100-Y134 AromaticContact CH2-CD1 3.81Å; W100-Y134 HydrophobicContact CH2-CD1 3.81Å; W100-Y134 HydrophobicContact CH2-CE1 4.35Å; W100-Y134 HydrophobicContact CH2-CG 4.26Å; W100-Y134 AromaticContact CZ2-CD1 3.52Å; W100-Y134 HydrophobicContact CZ2-CD1 3.52Å; W100-Y134 HydrophobicContact CZ2-CE1 4.47Å; W100-Y134 AromaticContact CZ2-CG 3.79Å; W100-Y134 HydrophobicContact CZ2-CG 3.79Å; W100-Y134 PolarHBondContact NE1-O 3.1Å; W100-W137 HydrophobicContact CZ2-CE3 4.19Å; W100-W137 HydrophobicContact CZ2-CZ3 4.47Å; W100-L156 HydrophobicContact CH2-CD2 3.37Å; W100-L156 HydrophobicContact CZ2-CD2 4.42Å; W100-L156 HydrophobicContact CZ3-CD2 3.68Å
101N94.8Very high97.3Very high115 Ų11547.2 Ų47.262%0.61526%0.263SS*.THydrogen-bonded Turntrans-62121174.4-67.2-15.9000109.8K98 Q99 I103K98-N101 WeakPolarHBondContact O-CB 3.39Å; K98-N101 VanDerWaalsContact O-CG 3.3Å; K98-N101 PolarHBondContact O-N 2.84Å; K98-N101 PolarHBondContact O-ND2 2.91Å; Q99-N101 VanDerWaalsContact C-N 3.27Å; N101-I103 VanDerWaalsContact C-N 3.31Å; N101-I103 PolarHBondContact O-N 2.86Å
102G92.9Very high97.3Very high50 Ų5047.1 Ų47.152%0.51526%0.264SS..THydrogen-bonded Turntrans82.1-2.2-179.900000115.3W100 T104 H107W100-G102 PolarHBondContact O-N 2.84Å; G102-T104 PolarHBondContact O-N 3.15Å; G102-H107 PolarHBondContact O-CE1 2.83Å; G102-H107 PolarHBondContact O-ND1 3.43Å
103I98.4Very high97.3Very high0 Ų045.6 Ų45.60%026%0.259CS..  trans-75.8114.7168.5-62.1-177.8000108.5P87 A88 Q99 W100 N101 H107 L108 A113 W137 P143P87-I103 WeakPolarHBondContact CA-O 3.49Å; A88-I103 PolarHBondContact N-O 3.31Å; Q99-I103 VanDerWaalsContact O-CD1 3.28Å; Q99-I103 WeakPolarHBondContact O-CD1 3.4Å; W100-I103 HydrophobicContact CD2-CD1 4.33Å; W100-I103 HydrophobicContact CE3-CB 4.1Å; W100-I103 HydrophobicContact CE3-CD1 3.94Å; W100-I103 HydrophobicContact CE3-CG2 4.07Å; W100-I103 HydrophobicContact CZ3-CD1 4.25Å; W100-I103 HydrophobicContact CZ3-CG2 3.99Å; W100-I103 PolarHBondContact O-N 3.29Å; W100-I103 VanDerWaalsContact O-N 3.14Å; N101-I103 VanDerWaalsContact C-N 3.31Å; N101-I103 PolarHBondContact O-N 2.86Å; I103-H107 HydrophobicContact CG2-CB 4.33Å; I103-L108 HydrophobicContact CG2-CD2 4.17Å; I103-L108 HydrophobicContact CG2-CG 4.18Å; I103-A113 HydrophobicContact CD1-CB 4.48Å; I103-A113 WeakPolarHBondContact CD1-O 3.45Å; I103-A113 HydrophobicContact CG2-CB 4.06Å; I103-W137 HydrophobicContact CD1-CH2 4.05Å; I103-W137 HydrophobicContact CD1-CZ3 3.71Å; I103-P143 HydrophobicContact CD1-CG 4.43Å; I103-P143 HydrophobicContact CG1-CB 4.32Å; I103-P143 HydrophobicContact CG1-CG 3.67Å
104T98.8Very high97.3Very high22 Ų2241.2 Ų41.214%0.13523%0.23CC..BIsolated β-bridgetrans-97.1166.6179.962.70000111.6L84 S85 D86 G102 L106 H107 L108L84-T104 WeakPolarHBondContact O-CB 3.27Å; S85-T104 WeakPolarHBondContact O-CG2 3.49Å; D86-T104 CarbonylContact O-C 3.57Å; D86-T104 VanDerWaalsContact O-CA 3.23Å; D86-T104 WeakPolarHBondContact O-CA 3.23Å; D86-T104 WeakPolarHBondContact O-CB 3.32Å; G102-T104 PolarHBondContact O-N 3.15Å; T104-L106 PolarHBondContact O-N 3.26Å; T104-L106 PolarHBondContact OG1-N 2.96Å; T104-H107 PolarHBondContact N-ND1 2.74Å; T104-H107 PolarHBondContact O-N 3.36Å; T104-H107 VanDerWaalsContact O-N 3.16Å; T104-H107 PolarHBondContact OG1-N 2.88Å; T104-H107 PolarHBondContact OG1-ND1 3.22Å; T104-L108 PolarHBondContact O-N 2.94Å
105L98.8Very high97.3Very high0 Ų036.7 Ų36.70%021%0.213CC..Hα-helixtrans-58.8-33.8170.1-66.1-171.7000112.2I82 L84 D86 Y91 H107 L108 A109 F157 L160I82-L105 HydrophobicContact CB-CD1 3.93Å; I82-L105 HydrophobicContact CD1-CD1 3.93Å; I82-L105 HydrophobicContact CG1-CD1 4.39Å; I82-L105 HydrophobicContact CG2-CD1 4.19Å; L84-L105 PolarHBondContact O-N 3.47Å; D86-L105 PolarHBondContact O-N 3.16Å; Y91-L105 HydrophobicContact CD2-CD1 3.82Å; Y91-L105 HydrophobicContact CD2-CD2 4.19Å; Y91-L105 HydrophobicContact CD2-CG 4.2Å; Y91-L105 HydrophobicContact CE2-CD1 3.56Å; Y91-L105 HydrophobicContact CE2-CG 4.22Å; L105-H107 PolarHBondContact O-N 3.08Å; L105-L108 HydrophobicContact CD2-CD1 4.37Å; L105-L108 PolarHBondContact O-N 3.2Å; L105-A109 WeakPolarHBondContact O-CB 3.48Å; L105-A109 PolarHBondContact O-N 3.11Å; L105-F157 HydrophobicContact CB-CD2 4.06Å; L105-F157 HydrophobicContact CB-CE2 4.12Å; L105-F157 HydrophobicContact CD2-CD2 4.49Å; L105-F157 WeakPolarHBondContact O-CD2 3.47Å; L105-L160 HydrophobicContact CD2-CB 3.88Å; L105-L160 HydrophobicContact CD2-CD1 4.08Å
106L98.7Very high97.3Very high75 Ų7536.7 Ų36.739%0.39321%0.213SC..Hα-helixtrans-57.3-50.1173.2-17558.4000110.9L84 T104 L108 A109 T110L84-L106 HydrophobicContact CB-CB 4.06Å; L84-L106 HydrophobicContact CB-CD1 4.41Å; L84-L106 HydrophobicContact CD1-CD1 4.26Å; L84-L106 WeakPolarHBondContact O-CB 3.33Å; L84-L106 PolarHBondContact O-N 2.97Å; T104-L106 PolarHBondContact O-N 3.26Å; T104-L106 PolarHBondContact OG1-N 2.96Å; L106-L108 PolarHBondContact O-N 3.31Å; L106-A109 PolarHBondContact O-N 3.28Å; L106-A109 VanDerWaalsContact O-N 3.11Å; L106-T110 HydrophobicContact CD1-CG2 3.89Å; L106-T110 PolarHBondContact O-N 3Å; L106-T110 PolarHBondContact O-OG1 2.81Å
107H98.8Very high97.2Very high34 Ų3434 Ų3416%0.15720%0.197CC..Hα-helixtrans-58.8-37.3-179-62.4153.8000112.5G102 I103 T104 L105 Y111 T112 A113 P143G102-H107 PolarHBondContact O-CE1 2.83Å; G102-H107 PolarHBondContact O-ND1 3.43Å; I103-H107 HydrophobicContact CG2-CB 4.33Å; T104-H107 PolarHBondContact N-ND1 2.74Å; T104-H107 PolarHBondContact O-N 3.36Å; T104-H107 VanDerWaalsContact O-N 3.16Å; T104-H107 PolarHBondContact OG1-N 2.88Å; T104-H107 PolarHBondContact OG1-ND1 3.22Å; L105-H107 PolarHBondContact O-N 3.08Å; H107-Y111 PolarHBondContact O-N 3.05Å; H107-T112 WeakPolarHBondContact CA-OG1 3.37Å; H107-T112 PolarHBondContact O-N 3.16Å; H107-A113 HydrophobicContact CB-CB 4.3Å; H107-A113 PolarHBondContact O-N 3.3Å; H107-P143 WeakPolarHBondContact ND1-CB 3.32Å
108L98.8Very high97Very high0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-70.6-42.5175.9-64.5175.7000112.2A88 W100 I103 T104 L105 L106 T110 A113 L116 S153 L156 F157 L160A88-L108 HydrophobicContact CB-CD1 3.97Å; W100-L108 HydrophobicContact CZ3-CD2 4.24Å; I103-L108 HydrophobicContact CG2-CD2 4.17Å; I103-L108 HydrophobicContact CG2-CG 4.18Å; T104-L108 PolarHBondContact O-N 2.94Å; L105-L108 HydrophobicContact CD2-CD1 4.37Å; L105-L108 PolarHBondContact O-N 3.2Å; L106-L108 PolarHBondContact O-N 3.31Å; L108-T110 VanDerWaalsContact C-N 3.3Å; L108-T110 PolarHBondContact O-N 3.23Å; L108-A113 HydrophobicContact CD2-CB 3.98Å; L108-L116 HydrophobicContact CD2-CD1 3.95Å; L108-S153 WeakPolarHBondContact CA-OG 3.19Å; L108-S153 CarbonylContact O-C 3.54Å; L108-S153 PolarHBondContact O-OG 2.95Å; L108-L156 HydrophobicContact CD1-CB 4.39Å; L108-L156 HydrophobicContact CD1-CD2 3.89Å; L108-L156 HydrophobicContact CD1-CG 3.88Å; L108-L156 HydrophobicContact CD2-CD2 3.99Å; L108-F157 HydrophobicContact CB-CB 3.77Å; L108-L160 HydrophobicContact CD1-CD1 4.05Å
109A98.4Very high96.8Very high23 Ų2333.1 Ų33.119%0.1919%0.194CC..Hα-helixtrans-65.8-32.1178.700000112.9L105 L106 F157L105-A109 WeakPolarHBondContact O-CB 3.48Å; L105-A109 PolarHBondContact O-N 3.11Å; L106-A109 PolarHBondContact O-N 3.28Å; L106-A109 VanDerWaalsContact O-N 3.11Å; A109-F157 HydrophobicContact CB-CD1 4.11Å; A109-F157 HydrophobicContact CB-CD2 3.82Å; A109-F157 HydrophobicContact CB-CE1 4.22Å; A109-F157 HydrophobicContact CB-CE2 3.93Å; A109-F157 HydrophobicContact CB-CG 3.9Å; A109-F157 HydrophobicContact CB-CZ 4.12Å
110T97.9Very high96.6Very high57 Ų5734 Ų3435%0.3520%0.201SC..THydrogen-bonded Turntrans-102.55.4-175.458.30000114.6L106 L108 T112L106-T110 HydrophobicContact CD1-CG2 3.89Å; L106-T110 PolarHBondContact O-N 3Å; L106-T110 PolarHBondContact O-OG1 2.81Å; L108-T110 VanDerWaalsContact C-N 3.3Å; L108-T110 PolarHBondContact O-N 3.23Å; T110-T112 VanDerWaalsContact C-N 3.3Å; T110-T112 PolarHBondContact O-N 2.79Å; T110-T112 PolarHBondContact OG1-OG1 2.85Å
111Y98.1Very high96.3Very high24 Ų2436.5 Ų36.59%0.09422%0.217CC..THydrogen-bonded Turntrans62.631.6-178.7-43.4-75.9000114.6K66 H107 R147 L148 Y149 A150 I154K66-Y111 WeakPolarHBondContact CD-OH 3.33Å; H107-Y111 PolarHBondContact O-N 3.05Å; Y111-R147 WeakPolarHBondContact O-CA 3.29Å; Y111-L148 WeakPolarHBondContact CB-O 3.48Å; Y111-L148 PolarHBondContact O-N 3.1Å; Y111-Y149 HydrophobicContact CD2-CD2 4.36Å; Y111-Y149 HydrophobicContact CE1-CD2 4.23Å; Y111-Y149 HydrophobicContact CE1-CE2 4.48Å; Y111-Y149 AromaticContact CE2-CD2 3.99Å; Y111-Y149 HydrophobicContact CE2-CD2 3.99Å; Y111-Y149 HydrophobicContact CE2-CE2 4.36Å; Y111-Y149 AromaticContact CZ-CD2 3.95Å; Y111-A150 VanDerWaalsContact CD1-N 3.32Å; Y111-A150 WeakPolarHBondContact CD1-O 3.45Å; Y111-A150 VanDerWaalsContact CE1-O 3.25Å; Y111-A150 WeakPolarHBondContact CE1-O 3.02Å; Y111-I154 HydrophobicContact CE1-CB 3.64Å; Y111-I154 HydrophobicContact CE1-CG2 3.76Å
112T98.4Very high96Very high21 Ų2136.6 Ų36.613%0.12922%0.218CC..  trans-115.424.4-177.555.60000112H107 T110 G114 P143 G144 Q146 R147H107-T112 WeakPolarHBondContact CA-OG1 3.37Å; H107-T112 PolarHBondContact O-N 3.16Å; T110-T112 VanDerWaalsContact C-N 3.3Å; T110-T112 PolarHBondContact O-N 2.79Å; T110-T112 PolarHBondContact OG1-OG1 2.85Å; T112-G114 PolarHBondContact O-N 2.89Å; T112-P143 CarbonylContact O-C 3.56Å; T112-P143 VanDerWaalsContact O-CA 3.29Å; T112-P143 WeakPolarHBondContact O-CA 3.49Å; T112-G144 PolarHBondContact O-N 3.36Å; T112-Q146 WeakPolarHBondContact CA-O 3.31Å; T112-R147 HydrophobicContact CG2-CB 4.05Å; T112-R147 HydrophobicContact CG2-CG 4.5Å
113A97.9Very high95.9Very high1 Ų141.2 Ų41.21%0.00823%0.226CC..SBendtrans-71.9-7.7-17900000115I103 H107 L108 L116 W137I103-A113 HydrophobicContact CD1-CB 4.48Å; I103-A113 WeakPolarHBondContact CD1-O 3.45Å; I103-A113 HydrophobicContact CG2-CB 4.06Å; H107-A113 HydrophobicContact CB-CB 4.3Å; H107-A113 PolarHBondContact O-N 3.3Å; L108-A113 HydrophobicContact CD2-CB 3.98Å; A113-L116 HydrophobicContact CB-CD1 4.03Å; A113-W137 WeakPolarHBondContact O-CH2 3.26Å
114G96.9Very high95.5Very high0 Ų042.6 Ų42.60%024%0.235CC..SBendtrans116.720.5-179.100000115.1T112 P139 A140 W141T112-G114 PolarHBondContact O-N 2.89Å; G114-P139 CarbonylContact O-C 3.45Å; G114-P139 VanDerWaalsContact O-CA 3.23Å; G114-P139 WeakPolarHBondContact O-CA 3.41Å; G114-A140 PolarHBondContact O-N 3.18Å; G114-W141 WeakPolarHBondContact CA-O 3.26Å
115G96Very high95.1Very high13 Ų1349.8 Ų49.813%0.13426%0.264CS..  trans93.946176.600000114.8W137G115-W137 PolarHBondContact O-NE1 2.88Å
116L97.2Very high94.8Very high4 Ų452.1 Ų52.12%0.02128%0.28CS..  trans-59.8143.7168.5-82.3169.1000110.8L108 A113 Y134 W137 A150L108-L116 HydrophobicContact CD2-CD1 3.95Å; A113-L116 HydrophobicContact CB-CD1 4.03Å; L116-Y134 HydrophobicContact CD2-CD1 4.08Å; L116-Y134 HydrophobicContact CD2-CE1 3.91Å; L116-W137 HydrophobicContact CD2-CD2 3.57Å; L116-W137 HydrophobicContact CD2-CE3 3.95Å; L116-W137 HydrophobicContact CD2-CG 3.92Å; L116-W137 HydrophobicContact CD2-CH2 4.42Å; L116-W137 HydrophobicContact CD2-CZ2 4.09Å; L116-W137 HydrophobicContact CD2-CZ3 4.35Å; L116-W137 HydrophobicContact CG-CD2 4.33Å; L116-W137 HydrophobicContact CG-CH2 4.23Å; L116-W137 HydrophobicContact CG-CZ2 3.92Å; L116-A150 HydrophobicContact CB-CB 4.17Å; L116-A150 WeakPolarHBondContact O-CB 3.41Å
117P95.8Very high94.6Very high49 Ų4953.2 Ų53.232%0.31829%0.294SS..  trans-70.4156.1-178.430.5-36000111.6Q119 F133 A150 S152P117-Q119 PolarHBondContact O-N 3.25Å; P117-Q119 VanDerWaalsContact O-N 3.12Å; P117-F133 HydrophobicContact CG-CE2 3.94Å; P117-F133 HydrophobicContact CG-CZ 3.51Å; P117-A150 WeakPolarHBondContact O-CB 3.16Å; P117-S152 PolarHBondContact O-OG 3.46Å
118L93.3Very high94.4Very high84 Ų8455.2 Ų55.244%0.4431%0.312SS..SBendtrans-52.3-41-176.3179.962.3000113.3Y149 N151L118-Y149 HydrophobicContact CD1-CD1 3.72Å; L118-Y149 HydrophobicContact CD1-CE1 4Å; L118-N151 WeakPolarHBondContact O-CA 3.07Å; L118-N151 WeakPolarHBondContact O-CB 3.46Å; L118-N151 PolarHBondContact O-N 2.91Å
119Q91.8Very high94.3Very high96 Ų9656.6 Ų56.645%0.44932%0.32SS..SBendtrans-129.4158178.6-61.5-69.62200110P117 N151P117-Q119 PolarHBondContact O-N 3.25Å; P117-Q119 VanDerWaalsContact O-N 3.12Å; Q119-N151 PolarHBondContact NE2-ND2 3.25Å; Q119-N151 VanDerWaalsContact OE1-CB 3.31Å; Q119-N151 PolarHBondContact OE1-ND2 3.15Å
120V90.3Very high94.3Very high46 Ų4657.9 Ų57.928%0.27932%0.323SS..  trans-66.5145.1157.7-62.10000108.7V124 L130 F133V120-V124 HydrophobicContact CB-CB 4.41Å; V120-V124 HydrophobicContact CB-CG2 4.45Å; V120-V124 HydrophobicContact CG2-CB 4.5Å; V120-L130 HydrophobicContact CG1-CD1 3.73Å; V120-F133 HydrophobicContact CB-CE1 4.49Å; V120-F133 HydrophobicContact CG1-CD1 4.1Å; V120-F133 HydrophobicContact CG1-CE1 3.84Å
121P91.4Very high94.3Very high52 Ų5257.1 Ų57.134%0.33832%0.316SS..  trans-58.3150.2176.2-23.733.2000112.3E123 V124 F133P121-E123 WeakPolarHBondContact CB-OE2 3.39Å; P121-E123 PolarHBondContact O-N 3.35Å; P121-E123 VanDerWaalsContact O-N 3.14Å; P121-V124 HydrophobicContact CB-CG2 4.42Å; P121-V124 HydrophobicContact CG-CG2 4.5Å; P121-V124 WeakPolarHBondContact O-CB 3.25Å; P121-V124 PolarHBondContact O-N 3.46Å; P121-F133 VanDerWaalsContact CD-CD2 3.43Å; P121-F133 VanDerWaalsContact CD-CE2 3.43Å; P121-F133 HydrophobicContact CG-CD2 3.83Å; P121-F133 HydrophobicContact CG-CE2 3.94Å
122D87.7Confident94.3Very high118 Ų11862.1 Ų62.163%0.63134%0.335SS*.THydrogen-bonded Turntrans-63.6-22.4-176.9-71.1-35.1000112V124 K125D122-V124 PolarHBondContact O-N 2.88Å; D122-K125 WeakPolarHBondContact O-CE 3.37Å; D122-K125 PolarHBondContact O-NZ 3.33Å
123E91.5Very high94.3Very high147 Ų14762.6 Ų62.669%0.68734%0.336SS*.THydrogen-bonded Turntrans-71.7-13.7176.8-55.374.4-159.900112.9P121 K125P121-E123 WeakPolarHBondContact CB-OE2 3.39Å; P121-E123 PolarHBondContact O-N 3.35Å; P121-E123 VanDerWaalsContact O-N 3.14Å; E123-K125 PolarHBondContact O-N 3.14Å
124V90.2Very high94.3Very high29 Ų2962.9 Ų62.918%0.17634%0.336CS..  trans-77.3100.7175.9177.70000109.3V120 P121 D122 D129 L130 F133V120-V124 HydrophobicContact CB-CB 4.41Å; V120-V124 HydrophobicContact CB-CG2 4.45Å; V120-V124 HydrophobicContact CG2-CB 4.5Å; P121-V124 HydrophobicContact CB-CG2 4.42Å; P121-V124 HydrophobicContact CG-CG2 4.5Å; P121-V124 WeakPolarHBondContact O-CB 3.25Å; P121-V124 PolarHBondContact O-N 3.46Å; D122-V124 PolarHBondContact O-N 2.88Å; V124-D129 HydrophobicContact CB-CB 4.3Å; V124-D129 HydrophobicContact CG1-CB 4Å; V124-D129 HydrophobicContact CG2-CB 4.43Å; V124-L130 HydrophobicContact CG1-CB 3.85Å; V124-L130 HydrophobicContact CG1-CD1 3.94Å; V124-F133 HydrophobicContact CG2-CB 3.98Å; V124-F133 HydrophobicContact CG2-CG 4.39Å
125K90.2Very high94.3Very high172 Ų17264.7 Ų64.775%0.74835%0.345SS*.  trans-115.9-10-177.2-60.8-53.5-169.5-156.70114.3D122 E123 D129D122-K125 WeakPolarHBondContact O-CE 3.37Å; D122-K125 PolarHBondContact O-NZ 3.33Å; E123-K125 PolarHBondContact O-N 3.14Å; K125-D129 PolarHBondContact N-OD2 2.99Å
126S92.9Very high94.4Very high49 Ų4969.6 Ų69.634%0.34337%0.368SS..SBendtrans-138.3166-177.469.20000112.3S128 D129 L130S126-S128 PolarHBondContact O-N 2.82Å; S126-S128 PolarHBondContact OG-OG 3.01Å; S126-D129 WeakPolarHBondContact CB-OD2 3.33Å; S126-D129 PolarHBondContact N-OD2 2.83Å; S126-D129 PolarHBondContact O-N 2.91Å; S126-D129 PolarHBondContact OG-N 3.12Å; S126-D129 PolarHBondContact OG-OD2 2.93Å; S126-L130 PolarHBondContact O-N 2.81Å
127S92.5Very high94.4Very high99 Ų9970.5 Ų70.569%0.69237%0.371SS*.Hα-helixtrans-60.1-32.4175.5-55.20000112.9L130 L131S127-L130 PolarHBondContact O-N 2.96Å; S127-L131 WeakPolarHBondContact O-CB 3.47Å; S127-L131 PolarHBondContact O-N 2.95Å
128S96.2Very high94.4Very high76 Ų7674.2 Ų74.253%0.53138%0.384SS..Hα-helixtrans-73.9-35.4176.857.70000112.1S126 L130 R132S126-S128 PolarHBondContact O-N 2.82Å; S126-S128 PolarHBondContact OG-OG 3.01Å; S128-L130 VanDerWaalsContact C-N 3.33Å; S128-R132 WeakPolarHBondContact O-CB 3.39Å; S128-R132 PolarHBondContact O-N 2.87Å
129D97.1Very high94.6Very high29 Ų2972.5 Ų72.516%0.15538%0.378CS..Hα-helixtrans-64.9-40.7171.1-55.2-38.4000111.3V124 K125 S126 R132 F133V124-D129 HydrophobicContact CB-CB 4.3Å; V124-D129 HydrophobicContact CG1-CB 4Å; V124-D129 HydrophobicContact CG2-CB 4.43Å; K125-D129 PolarHBondContact N-OD2 2.99Å; S126-D129 WeakPolarHBondContact CB-OD2 3.33Å; S126-D129 PolarHBondContact N-OD2 2.83Å; S126-D129 PolarHBondContact O-N 2.91Å; S126-D129 PolarHBondContact OG-N 3.12Å; S126-D129 PolarHBondContact OG-OD2 2.93Å; D129-R132 PolarHBondContact O-N 3.37Å; D129-R132 IonicContact OD1-CZ 3.64Å; D129-R132 VanDerWaalsContact OD1-CZ 3.29Å; D129-R132 IonicContact OD1-NH1 3.71Å; D129-R132 PolarHBondContact OD1-NH1 2.91Å; D129-R132 IonicContact OD1-NH2 2.67Å; D129-R132 PolarHBondContact OD1-NH2 2.86Å; D129-F133 WeakPolarHBondContact O-CB 3.25Å; D129-F133 PolarHBondContact O-N 3.23Å
130L97.1Very high94.8Very high49 Ų4971.5 Ų71.526%0.25739%0.386SS..Hα-helixtrans-64.6-44.8178.6-173.467.1000111W92 V120 V124 S126 S127 S128 F133 Y134W92-L130 HydrophobicContact CH2-CD2 4.06Å; W92-L130 HydrophobicContact CH2-CG 4.06Å; V120-L130 HydrophobicContact CG1-CD1 3.73Å; V124-L130 HydrophobicContact CG1-CB 3.85Å; V124-L130 HydrophobicContact CG1-CD1 3.94Å; S126-L130 PolarHBondContact O-N 2.81Å; S127-L130 PolarHBondContact O-N 2.96Å; S128-L130 VanDerWaalsContact C-N 3.33Å; L130-F133 HydrophobicContact CD1-CD1 4.44Å; L130-F133 PolarHBondContact O-N 3.47Å; L130-Y134 HydrophobicContact CD1-CD2 4.1Å; L130-Y134 HydrophobicContact CD1-CE2 3.48Å; L130-Y134 VanDerWaalsContact CD1-CE2 3.48Å; L130-Y134 HydrophobicContact CD2-CE2 4.22Å; L130-Y134 HydrophobicContact CG-CD2 3.96Å; L130-Y134 HydrophobicContact CG-CE2 3.64Å; L130-Y134 VanDerWaalsContact O-CD2 3.24Å; L130-Y134 WeakPolarHBondContact O-CD2 3.5Å; L130-Y134 PolarHBondContact O-N 2.75Å
131L98Very high95.1Very high41 Ų4172.3 Ų72.322%0.21539%0.385CS..Hα-helixtrans-58.8-49.2173.8179.659.8000110.9W92 E94 L95 S127 F133 Y134 Q135W92-L131 HydrophobicContact CH2-CB 4.36Å; W92-L131 HydrophobicContact CH2-CD1 4.46Å; W92-L131 HydrophobicContact CZ2-CB 3.84Å; W92-L131 HydrophobicContact CZ2-CD1 3.86Å; W92-L131 HydrophobicContact CZ2-CG 4.4Å; E94-L131 HydrophobicContact CB-CD1 4.1Å; E94-L131 HydrophobicContact CB-CD2 3.83Å; L95-L131 HydrophobicContact CD2-CD1 3.8Å; L95-L131 HydrophobicContact CG-CD1 4.27Å; S127-L131 WeakPolarHBondContact O-CB 3.47Å; S127-L131 PolarHBondContact O-N 2.95Å; L131-F133 VanDerWaalsContact C-N 3.33Å; L131-F133 PolarHBondContact O-N 2.82Å; L131-Y134 PolarHBondContact O-N 3.31Å; L131-Q135 HydrophobicContact CD1-CG 3.9Å; L131-Q135 HydrophobicContact CG-CG 4.14Å; L131-Q135 WeakPolarHBondContact O-CB 3.46Å; L131-Q135 WeakPolarHBondContact O-CG 3.43Å; L131-Q135 PolarHBondContact O-N 2.82Å
132R98.1Very high95.3Very high130 Ų13072.7 Ų72.749%0.49139%0.392SS..Hα-helixtrans-59.8-42179.1-175.8170.566.7-102.72.9112.2S128 D129 Q135 N136S128-R132 WeakPolarHBondContact O-CB 3.39Å; S128-R132 PolarHBondContact O-N 2.87Å; D129-R132 PolarHBondContact O-N 3.37Å; D129-R132 IonicContact OD1-CZ 3.64Å; D129-R132 VanDerWaalsContact OD1-CZ 3.29Å; D129-R132 IonicContact OD1-NH1 3.71Å; D129-R132 PolarHBondContact OD1-NH1 2.91Å; D129-R132 IonicContact OD1-NH2 2.67Å; D129-R132 PolarHBondContact OD1-NH2 2.86Å; R132-Q135 PolarHBondContact O-N 2.79Å; R132-N136 WeakPolarHBondContact O-CB 3.23Å; R132-N136 VanDerWaalsContact O-CG 3.27Å; R132-N136 PolarHBondContact O-N 3.34Å; R132-N136 PolarHBondContact O-ND2 3.15Å
133F97.8Very high95.8Very high31 Ų3169.1 Ų69.114%0.13638%0.375CS..Hα-helixtrans-57.8-51.1174.7161.7-103.7000111.7P117 V120 P121 V124 D129 L130 L131 Q135 N136 W137P117-F133 HydrophobicContact CG-CE2 3.94Å; P117-F133 HydrophobicContact CG-CZ 3.51Å; V120-F133 HydrophobicContact CB-CE1 4.49Å; V120-F133 HydrophobicContact CG1-CD1 4.1Å; V120-F133 HydrophobicContact CG1-CE1 3.84Å; P121-F133 VanDerWaalsContact CD-CD2 3.43Å; P121-F133 VanDerWaalsContact CD-CE2 3.43Å; P121-F133 HydrophobicContact CG-CD2 3.83Å; P121-F133 HydrophobicContact CG-CE2 3.94Å; V124-F133 HydrophobicContact CG2-CB 3.98Å; V124-F133 HydrophobicContact CG2-CG 4.39Å; D129-F133 WeakPolarHBondContact O-CB 3.25Å; D129-F133 PolarHBondContact O-N 3.23Å; L130-F133 HydrophobicContact CD1-CD1 4.44Å; L130-F133 PolarHBondContact O-N 3.47Å; L131-F133 VanDerWaalsContact C-N 3.33Å; L131-F133 PolarHBondContact O-N 2.82Å; F133-Q135 PolarHBondContact O-N 3.2Å; F133-N136 PolarHBondContact O-N 3.49Å; F133-W137 PolarHBondContact O-N 2.9Å
134Y98.3Very high96Very high6 Ų664.3 Ų64.32%0.02437%0.365CS..Hα-helixtrans-68.1-33.8179.7-77-52.8000113.3W92 W100 L116 L130 L131 N136 S152 L156W92-Y134 AromaticContact CH2-CD2 4Å; W92-Y134 HydrophobicContact CH2-CD2 4Å; W92-Y134 HydrophobicContact CH2-CE2 4.45Å; W92-Y134 AromaticContact CZ3-CD2 3.68Å; W92-Y134 HydrophobicContact CZ3-CD2 3.68Å; W92-Y134 HydrophobicContact CZ3-CE2 4.03Å; W100-Y134 AromaticContact CH2-CD1 3.81Å; W100-Y134 HydrophobicContact CH2-CD1 3.81Å; W100-Y134 HydrophobicContact CH2-CE1 4.35Å; W100-Y134 HydrophobicContact CH2-CG 4.26Å; W100-Y134 AromaticContact CZ2-CD1 3.52Å; W100-Y134 HydrophobicContact CZ2-CD1 3.52Å; W100-Y134 HydrophobicContact CZ2-CE1 4.47Å; W100-Y134 AromaticContact CZ2-CG 3.79Å; W100-Y134 HydrophobicContact CZ2-CG 3.79Å; W100-Y134 PolarHBondContact NE1-O 3.1Å; L116-Y134 HydrophobicContact CD2-CD1 4.08Å; L116-Y134 HydrophobicContact CD2-CE1 3.91Å; L130-Y134 HydrophobicContact CD1-CD2 4.1Å; L130-Y134 HydrophobicContact CD1-CE2 3.48Å; L130-Y134 VanDerWaalsContact CD1-CE2 3.48Å; L130-Y134 HydrophobicContact CD2-CE2 4.22Å; L130-Y134 HydrophobicContact CG-CD2 3.96Å; L130-Y134 HydrophobicContact CG-CE2 3.64Å; L130-Y134 VanDerWaalsContact O-CD2 3.24Å; L130-Y134 WeakPolarHBondContact O-CD2 3.5Å; L130-Y134 PolarHBondContact O-N 2.75Å; L131-Y134 PolarHBondContact O-N 3.31Å; Y134-N136 VanDerWaalsContact C-N 3.31Å; Y134-S152 PolarHBondContact OH-O 3.02Å; Y134-L156 HydrophobicContact CD1-CD2 4.34Å; Y134-L156 HydrophobicContact CD2-CD2 4.44Å; Y134-L156 HydrophobicContact CE1-CD2 4.01Å; Y134-L156 HydrophobicContact CE2-CD1 4.02Å; Y134-L156 HydrophobicContact CE2-CD2 4.12Å; Y134-L156 HydrophobicContact CE2-CG 4.45Å
135Q97.8Very high96.3Very high38 Ų3867.1 Ų67.118%0.17838%0.383CS..Hα-helixtrans-67.9-30.9176.1-71.6-79.846.700112.6E94 T96 A97 Q99 L131 R132 F133E94-Q135 PolarHBondContact O-NE2 3.12Å; T96-Q135 PolarHBondContact OG1-NE2 2.73Å; A97-Q135 WeakPolarHBondContact CB-O 3.25Å; Q99-Q135 PolarHBondContact NE2-O 2.82Å; L131-Q135 HydrophobicContact CD1-CG 3.9Å; L131-Q135 HydrophobicContact CG-CG 4.14Å; L131-Q135 WeakPolarHBondContact O-CB 3.46Å; L131-Q135 WeakPolarHBondContact O-CG 3.43Å; L131-Q135 PolarHBondContact O-N 2.82Å; R132-Q135 PolarHBondContact O-N 2.79Å; F133-Q135 PolarHBondContact O-N 3.2Å
136N97.6Very high96.7Very high116 Ų11663.9 Ų63.962%0.6237%0.37SS*.Hα-helixtrans-91.1-20-179.7-69.9-18000113.7R132 F133 Y134R132-N136 WeakPolarHBondContact O-CB 3.23Å; R132-N136 VanDerWaalsContact O-CG 3.27Å; R132-N136 PolarHBondContact O-N 3.34Å; R132-N136 PolarHBondContact O-ND2 3.15Å; F133-N136 PolarHBondContact O-N 3.49Å; Y134-N136 VanDerWaalsContact C-N 3.31Å
137W97.1Very high96.9Very high23 Ų2369.1 Ų69.19%0.08738%0.382CS..  trans-61.9138.2177.9167.775000111.7Q99 W100 I103 A113 G115 L116 F133 P139Q99-W137 HydrophobicContact CG-CE3 4.29Å; Q99-W137 HydrophobicContact CG-CZ3 4.39Å; Q99-W137 WeakPolarHBondContact CG-O 3.39Å; Q99-W137 PolarHBondContact NE2-O 3.02Å; W100-W137 HydrophobicContact CZ2-CE3 4.19Å; W100-W137 HydrophobicContact CZ2-CZ3 4.47Å; I103-W137 HydrophobicContact CD1-CH2 4.05Å; I103-W137 HydrophobicContact CD1-CZ3 3.71Å; A113-W137 WeakPolarHBondContact O-CH2 3.26Å; G115-W137 PolarHBondContact O-NE1 2.88Å; L116-W137 HydrophobicContact CD2-CD2 3.57Å; L116-W137 HydrophobicContact CD2-CE3 3.95Å; L116-W137 HydrophobicContact CD2-CG 3.92Å; L116-W137 HydrophobicContact CD2-CH2 4.42Å; L116-W137 HydrophobicContact CD2-CZ2 4.09Å; L116-W137 HydrophobicContact CD2-CZ3 4.35Å; L116-W137 HydrophobicContact CG-CD2 4.33Å; L116-W137 HydrophobicContact CG-CH2 4.23Å; L116-W137 HydrophobicContact CG-CZ2 3.92Å; F133-W137 PolarHBondContact O-N 2.9Å; W137-P139 HydrophobicContact CH2-CB 3.8Å; W137-P139 HydrophobicContact CZ2-CB 4.01Å
138Q96.8Very high97.1Very high128 Ų12868 Ų6860%0.59837%0.368SS*.  trans-114.8136.2175.7-65.5-59.7-42.600110.8
139P96.7Very high97Very high48 Ų4867.2 Ų67.231%0.31235%0.354SS..  trans-70.6137.4176.328.6-33.2000110.8Q99 G114 W137Q99-P139 HydrophobicContact CB-CG 4.05Å; G114-P139 CarbonylContact O-C 3.45Å; G114-P139 VanDerWaalsContact O-CA 3.23Å; G114-P139 WeakPolarHBondContact O-CA 3.41Å; W137-P139 HydrophobicContact CH2-CB 3.8Å; W137-P139 HydrophobicContact CZ2-CB 4.01Å
140A96.1Very high96.9Very high75 Ų7565.9 Ų65.962%0.6235%0.347SS*.SBendtrans-80.2-20.417200000112.3G114G114-A140 PolarHBondContact O-N 3.18Å
141W95.9Very high96.8Very high63 Ų6365.2 Ų65.224%0.23934%0.344CS..SBendtrans-155.5164.1177.14882.3000110.6G114 Q146 L148G114-W141 WeakPolarHBondContact CA-O 3.26Å; W141-Q146 HydrophobicContact CD2-CB 4.12Å; W141-Q146 HydrophobicContact CD2-CG 4.14Å; W141-Q146 HydrophobicContact CG-CB 4.21Å; W141-Q146 HydrophobicContact CG-CG 4Å; W141-Q146 HydrophobicContact CZ2-CB 4.18Å; W141-Q146 PolarHBondContact NE1-O 3.06Å; W141-Q146 VanDerWaalsContact NE1-O 3.17Å; W141-L148 HydrophobicContact CH2-CB 4.24Å; W141-L148 HydrophobicContact CH2-CD2 4.13Å; W141-L148 HydrophobicContact CZ2-CB 3.79Å; W141-L148 HydrophobicContact CZ2-CD2 4.32Å
142A96.3Very high96.8Very high60 Ų6063.5 Ų63.550%0.49634%0.335SS..  trans-61.2142.8-179.700000112G144 T145A142-G144 PolarHBondContact O-N 2.6Å; A142-T145 HydrophobicContact CB-CG2 3.87Å; A142-T145 WeakPolarHBondContact O-CB 3.21Å; A142-T145 WeakPolarHBondContact O-CG2 3.35Å; A142-T145 PolarHBondContact O-N 3.16Å; A142-T145 PolarHBondContact O-OG1 3.06Å
143P97.3Very high96.8Very high42 Ų4257.3 Ų57.327%0.27331%0.312SS..THydrogen-bonded Turntrans-54.2141.5174.7-24.333.2000112I103 H107 T112 T145I103-P143 HydrophobicContact CD1-CG 4.43Å; I103-P143 HydrophobicContact CG1-CB 4.32Å; I103-P143 HydrophobicContact CG1-CG 3.67Å; H107-P143 WeakPolarHBondContact ND1-CB 3.32Å; T112-P143 CarbonylContact O-C 3.56Å; T112-P143 VanDerWaalsContact O-CA 3.29Å; T112-P143 WeakPolarHBondContact O-CA 3.49Å; P143-T145 VanDerWaalsContact C-N 3.3Å; P143-T145 PolarHBondContact O-N 3.26Å
144G96.9Very high96.8Very high46 Ų4656.4 Ų56.447%0.47431%0.308SS..THydrogen-bonded Turntrans83.4-9.6-178.300000115.6T112 A142T112-G144 PolarHBondContact O-N 3.36Å; A142-G144 PolarHBondContact O-N 2.6Å
145T96.8Very high96.7Very high89 Ų8958.3 Ų58.355%0.54633%0.329SS..THydrogen-bonded Turntrans-89.7-37-173.6630000114.8A142 P143A142-T145 HydrophobicContact CB-CG2 3.87Å; A142-T145 WeakPolarHBondContact O-CB 3.21Å; A142-T145 WeakPolarHBondContact O-CG2 3.35Å; A142-T145 PolarHBondContact O-N 3.16Å; A142-T145 PolarHBondContact O-OG1 3.06Å; P143-T145 VanDerWaalsContact C-N 3.3Å; P143-T145 PolarHBondContact O-N 3.26Å
146Q97.7Very high96.8Very high104 Ų10456.7 Ų56.749%0.48632%0.322SS..  trans-139.8149.6176.3-41.4-177.115.800112T112 W141T112-Q146 WeakPolarHBondContact CA-O 3.31Å; W141-Q146 HydrophobicContact CD2-CB 4.12Å; W141-Q146 HydrophobicContact CD2-CG 4.14Å; W141-Q146 HydrophobicContact CG-CB 4.21Å; W141-Q146 HydrophobicContact CG-CG 4Å; W141-Q146 HydrophobicContact CZ2-CB 4.18Å; W141-Q146 PolarHBondContact NE1-O 3.06Å; W141-Q146 VanDerWaalsContact NE1-O 3.17Å
147R97.7Very high96.8Very high159 Ų15951.5 Ų51.560%0.629%0.294SS*.  trans-97.6125.1178.5-176.5-175.9177.6-83.60.9110.9Y111 T112Y111-R147 WeakPolarHBondContact O-CA 3.29Å; T112-R147 HydrophobicContact CG2-CB 4.05Å; T112-R147 HydrophobicContact CG2-CG 4.5Å
148L96.1Very high96.9Very high76 Ų7650.4 Ų50.440%0.39829%0.29SS..  trans-132.7108.1170.517969000110.5Y111 W141 A150Y111-L148 WeakPolarHBondContact CB-O 3.48Å; Y111-L148 PolarHBondContact O-N 3.1Å; W141-L148 HydrophobicContact CH2-CB 4.24Å; W141-L148 HydrophobicContact CH2-CD2 4.13Å; W141-L148 HydrophobicContact CZ2-CB 3.79Å; W141-L148 HydrophobicContact CZ2-CD2 4.32Å; L148-A150 PolarHBondContact O-N 3.28Å
149Y94.9Very high96.9Very high59 Ų5946.5 Ų46.523%0.23128%0.28CS..  trans-54.3124-178.4-178-89.3000112.2S63 K66 Y111 L118 P219S63-Y149 WeakPolarHBondContact CB-OH 3.21Å; S63-Y149 PolarHBondContact OG-OH 3.47Å; K66-Y149 HydrophobicContact CD-CE2 3.98Å; K66-Y149 VanDerWaalsContact CD-OH 3.31Å; K66-Y149 WeakPolarHBondContact CD-OH 3.41Å; K66-Y149 VanDerWaalsContact CE-CZ 3.41Å; K66-Y149 WeakPolarHBondContact CE-OH 3.27Å; K66-Y149 PolarHBondContact NZ-OH 2.94Å; Y111-Y149 HydrophobicContact CD2-CD2 4.36Å; Y111-Y149 HydrophobicContact CE1-CD2 4.23Å; Y111-Y149 HydrophobicContact CE1-CE2 4.48Å; Y111-Y149 AromaticContact CE2-CD2 3.99Å; Y111-Y149 HydrophobicContact CE2-CD2 3.99Å; Y111-Y149 HydrophobicContact CE2-CE2 4.36Å; Y111-Y149 AromaticContact CZ-CD2 3.95Å; L118-Y149 HydrophobicContact CD1-CD1 3.72Å; L118-Y149 HydrophobicContact CD1-CE1 4Å; Y149-P219 HydrophobicContact CE1-CB 4.49Å
150A94.1Very high97Very high0 Ų044.3 Ų44.30%027%0.265CS..  trans-150.6126.4-173.600000112.4Y111 L116 P117 L148 S152 S153 I154Y111-A150 VanDerWaalsContact CD1-N 3.32Å; Y111-A150 WeakPolarHBondContact CD1-O 3.45Å; Y111-A150 VanDerWaalsContact CE1-O 3.25Å; Y111-A150 WeakPolarHBondContact CE1-O 3.02Å; L116-A150 HydrophobicContact CB-CB 4.17Å; L116-A150 WeakPolarHBondContact O-CB 3.41Å; P117-A150 WeakPolarHBondContact O-CB 3.16Å; L148-A150 PolarHBondContact O-N 3.28Å; A150-S152 VanDerWaalsContact C-N 3.33Å; A150-S153 WeakPolarHBondContact O-CB 3.3Å; A150-S153 PolarHBondContact O-N 2.78Å; A150-I154 PolarHBondContact O-N 3.46Å
151N95.6Very high97.1Very high36 Ų3640.8 Ų40.819%0.19324%0.236CC..Hα-helixtrans-68.4-35174.5-60-34.7000111.4K66 L118 Q119 S153 G155K66-N151 WeakPolarHBondContact CE-OD1 3.34Å; K66-N151 PolarHBondContact NZ-OD1 3.16Å; L118-N151 WeakPolarHBondContact O-CA 3.07Å; L118-N151 WeakPolarHBondContact O-CB 3.46Å; L118-N151 PolarHBondContact O-N 2.91Å; Q119-N151 PolarHBondContact NE2-ND2 3.25Å; Q119-N151 VanDerWaalsContact OE1-CB 3.31Å; Q119-N151 PolarHBondContact OE1-ND2 3.15Å; N151-S153 PolarHBondContact O-N 3.11Å; N151-G155 WeakPolarHBondContact O-CA 3.05Å; N151-G155 PolarHBondContact O-N 3.11Å
152S96.9Very high97.2Very high4 Ų438 Ų383%0.02823%0.226CC..Hα-helixtrans-56.5-36.6172.561.80000111.5P117 Y134 A150 L156P117-S152 PolarHBondContact O-OG 3.46Å; Y134-S152 PolarHBondContact OH-O 3.02Å; A150-S152 VanDerWaalsContact C-N 3.33Å; S152-L156 VanDerWaalsContact O-CB 3.27Å; S152-L156 WeakPolarHBondContact O-CB 3.1Å; S152-L156 PolarHBondContact O-N 2.77Å; S152-L156 VanDerWaalsContact O-N 3.17Å
153S98.5Very high97.3Very high1 Ų140.9 Ų40.91%0.00723%0.227CC..Hα-helixtrans-71.6-57.4179.6-166.60000113L108 A150 N151 G155 L156 F157L108-S153 WeakPolarHBondContact CA-OG 3.19Å; L108-S153 CarbonylContact O-C 3.54Å; L108-S153 PolarHBondContact O-OG 2.95Å; A150-S153 WeakPolarHBondContact O-CB 3.3Å; A150-S153 PolarHBondContact O-N 2.78Å; N151-S153 PolarHBondContact O-N 3.11Å; S153-G155 VanDerWaalsContact C-N 3.35Å; S153-G155 PolarHBondContact O-N 3.37Å; S153-L156 PolarHBondContact O-N 3.13Å; S153-F157 PolarHBondContact O-N 2.79Å
154I98.1Very high97.3Very high12 Ų1241.7 Ų41.76%0.06223%0.233CC..Hα-helixtrans-71.3-29.4-178.2-172.464.6000112.9K66 T69 Y111 A150 F157 G158K66-I154 HydrophobicContact CB-CG1 4.4Å; K66-I154 HydrophobicContact CD-CG2 4.1Å; K66-I154 HydrophobicContact CG-CG1 4.26Å; K66-I154 HydrophobicContact CG-CG2 3.96Å; T69-I154 HydrophobicContact CG2-CD1 4.24Å; T69-I154 HydrophobicContact CG2-CG1 4.21Å; Y111-I154 HydrophobicContact CE1-CB 3.64Å; Y111-I154 HydrophobicContact CE1-CG2 3.76Å; A150-I154 PolarHBondContact O-N 3.46Å; I154-F157 HydrophobicContact CD1-CB 4.36Å; I154-F157 HydrophobicContact CD1-CD1 3.79Å; I154-F157 HydrophobicContact CD1-CG 4.41Å; I154-F157 PolarHBondContact O-N 3.48Å; I154-G158 PolarHBondContact O-N 3.07Å
155G96.8Very high97.3Very high45 Ų4541 Ų4146%0.46422%0.22SC..Hα-helixtrans-64.4-43.5172.500000111.3N151 S153 G158 A159N151-G155 WeakPolarHBondContact O-CA 3.05Å; N151-G155 PolarHBondContact O-N 3.11Å; S153-G155 VanDerWaalsContact C-N 3.35Å; S153-G155 PolarHBondContact O-N 3.37Å; G155-G158 PolarHBondContact O-N 3.12Å; G155-A159 PolarHBondContact O-N 2.67Å
156L98.2Very high97.3Very high5 Ų540 Ų403%0.02623%0.228CC..Hα-helixtrans-62.6-45.1173.5-176.258.8000111.7W92 W100 L108 Y134 S152 S153 G158 A159 L160W92-L156 HydrophobicContact CE3-CD1 3.66Å; W92-L156 HydrophobicContact CZ3-CD1 3.51Å; W100-L156 HydrophobicContact CH2-CD2 3.37Å; W100-L156 HydrophobicContact CZ2-CD2 4.42Å; W100-L156 HydrophobicContact CZ3-CD2 3.68Å; L108-L156 HydrophobicContact CD1-CB 4.39Å; L108-L156 HydrophobicContact CD1-CD2 3.89Å; L108-L156 HydrophobicContact CD1-CG 3.88Å; L108-L156 HydrophobicContact CD2-CD2 3.99Å; Y134-L156 HydrophobicContact CD1-CD2 4.34Å; Y134-L156 HydrophobicContact CD2-CD2 4.44Å; Y134-L156 HydrophobicContact CE1-CD2 4.01Å; Y134-L156 HydrophobicContact CE2-CD1 4.02Å; Y134-L156 HydrophobicContact CE2-CD2 4.12Å; Y134-L156 HydrophobicContact CE2-CG 4.45Å; S152-L156 VanDerWaalsContact O-CB 3.27Å; S152-L156 WeakPolarHBondContact O-CB 3.1Å; S152-L156 PolarHBondContact O-N 2.77Å; S152-L156 VanDerWaalsContact O-N 3.17Å; S153-L156 PolarHBondContact O-N 3.13Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 2.92Å; L156-A159 PolarHBondContact O-N 2.84Å; L156-L160 HydrophobicContact CD1-CD1 3.96Å; L156-L160 HydrophobicContact CD1-CD2 4.2Å; L156-L160 HydrophobicContact CD1-CG 3.85Å; L156-L160 HydrophobicContact CG-CD1 3.93Å; L156-L160 HydrophobicContact CG-CG 4.18Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.1Å; L156-L160 PolarHBondContact O-N 2.85Å
157F98.8Very high97.3Very high6 Ų637.8 Ų37.83%0.02622%0.219CC..Hα-helixtrans-52.5-50.7173.4168.7-103.7000111.7T69 L84 L105 L108 A109 S153 I154 A159 L160 A161T69-F157 HydrophobicContact CG2-CD1 3.97Å; T69-F157 HydrophobicContact CG2-CE1 4.39Å; L84-F157 HydrophobicContact CD2-CE2 4.03Å; L84-F157 HydrophobicContact CD2-CZ 4.41Å; L105-F157 HydrophobicContact CB-CD2 4.06Å; L105-F157 HydrophobicContact CB-CE2 4.12Å; L105-F157 HydrophobicContact CD2-CD2 4.49Å; L105-F157 WeakPolarHBondContact O-CD2 3.47Å; L108-F157 HydrophobicContact CB-CB 3.77Å; A109-F157 HydrophobicContact CB-CD1 4.11Å; A109-F157 HydrophobicContact CB-CD2 3.82Å; A109-F157 HydrophobicContact CB-CE1 4.22Å; A109-F157 HydrophobicContact CB-CE2 3.93Å; A109-F157 HydrophobicContact CB-CG 3.9Å; A109-F157 HydrophobicContact CB-CZ 4.12Å; S153-F157 PolarHBondContact O-N 2.79Å; I154-F157 HydrophobicContact CD1-CB 4.36Å; I154-F157 HydrophobicContact CD1-CD1 3.79Å; I154-F157 HydrophobicContact CD1-CG 4.41Å; I154-F157 PolarHBondContact O-N 3.48Å; F157-A159 PolarHBondContact O-N 2.81Å; F157-L160 PolarHBondContact O-N 2.73Å; F157-A161 HydrophobicContact CE2-CB 4.34Å; F157-A161 HydrophobicContact CZ-CB 4.3Å; F157-A161 WeakPolarHBondContact O-CB 3.15Å; F157-A161 PolarHBondContact O-N 3.48Å
158G98.2Very high97.2Very high1 Ų132.3 Ų32.31%0.0121%0.205CC..Hα-helixtrans-58.8-44.7179.900000113.1I154 G155 L156I154-G158 PolarHBondContact O-N 3.07Å; G155-G158 PolarHBondContact O-N 3.12Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 2.92Å
159A97.4Very high97.2Very high46 Ų4631.1 Ų31.138%0.3820%0.197SC..Hα-helixtrans-65.1-40.6178.500000112.6G155 L156 F157G155-A159 PolarHBondContact O-N 2.67Å; L156-A159 PolarHBondContact O-N 2.84Å; F157-A159 PolarHBondContact O-N 2.81Å
160L98.6Very high97.2Very high2 Ų232.1 Ų32.11%0.0120%0.204CC..Hα-helixtrans-75.8-36.3179.6-62.8-173.8000112.7A88 W92 L105 L108 L156 F157 V162 K163A88-L160 HydrophobicContact CB-CD1 3.82Å; W92-L160 HydrophobicContact CB-CD2 3.63Å; W92-L160 HydrophobicContact CD2-CD2 4.46Å; W92-L160 HydrophobicContact CE3-CD2 4.15Å; W92-L160 HydrophobicContact CG-CD2 4.33Å; L105-L160 HydrophobicContact CD2-CB 3.88Å; L105-L160 HydrophobicContact CD2-CD1 4.08Å; L108-L160 HydrophobicContact CD1-CD1 4.05Å; L156-L160 HydrophobicContact CD1-CD1 3.96Å; L156-L160 HydrophobicContact CD1-CD2 4.2Å; L156-L160 HydrophobicContact CD1-CG 3.85Å; L156-L160 HydrophobicContact CG-CD1 3.93Å; L156-L160 HydrophobicContact CG-CG 4.18Å; L156-L160 VanDerWaalsContact O-CG 3.3Å; L156-L160 WeakPolarHBondContact O-CG 3.1Å; L156-L160 PolarHBondContact O-N 2.85Å; F157-L160 PolarHBondContact O-N 2.73Å; L160-V162 PolarHBondContact O-N 3.38Å; L160-K163 WeakPolarHBondContact O-CB 3.42Å; L160-K163 PolarHBondContact O-N 3.09Å; L160-K163 VanDerWaalsContact O-N 3.15Å
161A98.4Very high97.3Very high1 Ų137.1 Ų37.11%0.00823%0.227CC..Hα-helixtrans-59.2-30-177.100000113.1A76 I82 F157A76-A161 WeakPolarHBondContact CB-O 3.41Å; I82-A161 HydrophobicContact CD1-CB 3.68Å; I82-A161 WeakPolarHBondContact CG2-O 3.25Å; F157-A161 HydrophobicContact CE2-CB 4.34Å; F157-A161 HydrophobicContact CZ-CB 4.3Å; F157-A161 WeakPolarHBondContact O-CB 3.15Å; F157-A161 PolarHBondContact O-N 3.48Å
162V97.8Very high97.5Very high3 Ų335.4 Ų35.42%0.01822%0.218CC..THydrogen-bonded Turntrans-98.3-4.8-177.9-56.50000113.6L72 L160 P164 S165 F169 A172L72-V162 HydrophobicContact CD1-CG1 4.29Å; L72-V162 HydrophobicContact CD2-CG1 3.67Å; L72-V162 HydrophobicContact CG-CG1 3.87Å; L160-V162 PolarHBondContact O-N 3.38Å; V162-P164 VanDerWaalsContact C-CD 3.45Å; V162-P164 VanDerWaalsContact C-N 3.35Å; V162-S165 PolarHBondContact O-N 2.99Å; V162-S165 VanDerWaalsContact O-N 3.1Å; V162-S165 PolarHBondContact O-OG 3.04Å; V162-F169 HydrophobicContact CG2-CB 4.49Å; V162-A172 HydrophobicContact CB-CB 4.03Å; V162-A172 HydrophobicContact CG1-CB 3.65Å
163K97.8Very high97.5Very high121 Ų12135.4 Ų35.453%0.52622%0.218SC..G310 helixtrans-52.9-44.4-179.4-82.4-76.2-174.7175.60113.4L160 S165 G166L160-K163 WeakPolarHBondContact O-CB 3.42Å; L160-K163 PolarHBondContact O-N 3.09Å; L160-K163 VanDerWaalsContact O-N 3.15Å; K163-S165 PolarHBondContact O-N 2.78Å; K163-G166 PolarHBondContact O-N 3.27Å; K163-G166 VanDerWaalsContact O-N 3.16Å
164P98.2Very high97.3Very high60 Ų6038 Ų3839%0.3923%0.23SC..G310 helixtrans-64.9-22.8-178.3-24.537.3000114.2E81 I82 Y91 V162 G166E81-P164 HydrophobicContact CB-CB 4Å; E81-P164 HydrophobicContact CB-CG 4.31Å; E81-P164 HydrophobicContact CG-CB 4.42Å; I82-P164 HydrophobicContact CG2-CG 4.02Å; Y91-P164 HydrophobicContact CD1-CG 3.71Å; Y91-P164 HydrophobicContact CE1-CG 3.38Å; V162-P164 VanDerWaalsContact C-CD 3.45Å; V162-P164 VanDerWaalsContact C-N 3.35Å; P164-G166 VanDerWaalsContact C-N 3.27Å; P164-G166 PolarHBondContact O-N 2.84Å
165S97.4Very high97.3Very high30 Ų3040.4 Ų40.421%0.2125%0.245CC..G310 helixtrans-78.5-11.517979.70000113.6V162 K163 L167V162-S165 PolarHBondContact O-N 2.99Å; V162-S165 VanDerWaalsContact O-N 3.1Å; V162-S165 PolarHBondContact O-OG 3.04Å; K163-S165 PolarHBondContact O-N 2.78Å; S165-L167 PolarHBondContact O-N 3.38Å; S165-L167 WeakPolarHBondContact OG-CB 3.48Å; S165-L167 WeakPolarHBondContact OG-CG 3.32Å; S165-L167 PolarHBondContact OG-N 3.49Å
166G97.1Very high97.3Very high70 Ų7039.9 Ų39.972%0.72223%0.229SC*.THydrogen-bonded Turntrans68.18.4-173.100000114.7K163 P164K163-G166 PolarHBondContact O-N 3.27Å; K163-G166 VanDerWaalsContact O-N 3.16Å; P164-G166 VanDerWaalsContact C-N 3.27Å; P164-G166 PolarHBondContact O-N 2.84Å
167L97.3Very high97.3Very high57 Ų5739.7 Ų39.730%0.29823%0.228SC..  trans-93.1151.6179.4-61.9174.4000110.1S165 Q171 A172S165-L167 PolarHBondContact O-N 3.38Å; S165-L167 WeakPolarHBondContact OG-CB 3.48Å; S165-L167 WeakPolarHBondContact OG-CG 3.32Å; S165-L167 PolarHBondContact OG-N 3.49Å; L167-Q171 HydrophobicContact CB-CB 4.13Å; L167-Q171 HydrophobicContact CD2-CB 4.25Å; L167-A172 HydrophobicContact CB-CB 4.07Å; L167-A172 HydrophobicContact CD1-CB 4.17Å
168S95.8Very high97.2Very high44 Ų4439.9 Ų39.931%0.30823%0.229SC..  trans-65.8159.6161.593.40000110.2E170 Q171 A172S168-E170 VanDerWaalsContact CB-OE2 3.28Å; S168-E170 WeakPolarHBondContact CB-OE2 3.38Å; S168-E170 PolarHBondContact O-N 3.34Å; S168-E170 PolarHBondContact OG-N 2.93Å; S168-E170 PolarHBondContact OG-OE2 2.76Å; S168-Q171 PolarHBondContact O-N 2.78Å; S168-Q171 PolarHBondContact OG-N 2.83Å; S168-Q171 VanDerWaalsContact OG-N 3.14Å; S168-A172 WeakPolarHBondContact O-CB 3.37Å; S168-A172 PolarHBondContact O-N 3.11Å
169F95.9Very high97.1Very high51 Ų5144.9 Ų44.922%0.22425%0.252CS..Hα-helixtrans-56.6-39.6175179.1-96.5000111.6T69 L72 V162 A172 M173 I188T69-F169 HydrophobicContact CG2-CE2 4.15Å; T69-F169 HydrophobicContact CG2-CZ 4.42Å; L72-F169 HydrophobicContact CD2-CD2 3.95Å; L72-F169 HydrophobicContact CD2-CE2 3.73Å; L72-F169 HydrophobicContact CD2-CZ 4.41Å; V162-F169 HydrophobicContact CG2-CB 4.49Å; F169-A172 PolarHBondContact O-N 2.96Å; F169-M173 HydrophobicContact CE1-CE 3.94Å; F169-M173 HydrophobicContact CE2-CE 3.98Å; F169-M173 HydrophobicContact CZ-CE 3.36Å; F169-M173 VanDerWaalsContact O-CB 3.26Å; F169-M173 WeakPolarHBondContact O-CB 3.42Å; F169-M173 PolarHBondContact O-N 3.5Å; F169-I188 HydrophobicContact CD1-CD1 3.84Å; F169-I188 HydrophobicContact CE1-CD1 3.77Å
170E94.7Very high97.1Very high80 Ų8046.8 Ų46.837%0.37426%0.26SS..Hα-helixtrans-64.1-47.3178.1-57.573-162.300112.1S168 M173 Q174 I188S168-E170 VanDerWaalsContact CB-OE2 3.28Å; S168-E170 WeakPolarHBondContact CB-OE2 3.38Å; S168-E170 PolarHBondContact O-N 3.34Å; S168-E170 PolarHBondContact OG-N 2.93Å; S168-E170 PolarHBondContact OG-OE2 2.76Å; E170-M173 PolarHBondContact O-N 3.48Å; E170-Q174 WeakPolarHBondContact O-CB 3.16Å; E170-Q174 PolarHBondContact O-N 3.14Å; E170-I188 HydrophobicContact CB-CD1 4.2Å; E170-I188 HydrophobicContact CG-CB 4.23Å; E170-I188 HydrophobicContact CG-CD1 4.07Å; E170-I188 HydrophobicContact CG-CG2 3.85Å
171Q97.1Very high96.9Very high104 Ų10451.7 Ų51.749%0.48629%0.286SS..Hα-helixtrans-63.9-44.5177.7-69.9172.7-35.400111.3L167 S168 Q174 T175L167-Q171 HydrophobicContact CB-CB 4.13Å; L167-Q171 HydrophobicContact CD2-CB 4.25Å; S168-Q171 PolarHBondContact O-N 2.78Å; S168-Q171 PolarHBondContact OG-N 2.83Å; S168-Q171 VanDerWaalsContact OG-N 3.14Å; Q171-Q174 PolarHBondContact O-N 3.49Å; Q171-T175 WeakPolarHBondContact O-CB 3.35Å; Q171-T175 WeakPolarHBondContact O-CG2 3.43Å; Q171-T175 PolarHBondContact O-N 3.34Å; Q171-T175 PolarHBondContact O-OG1 2.97Å
172A98.1Very high96.8Very high0 Ų059.7 Ų59.70%032%0.32CS..Hα-helixtrans-62.7-46.817800000111L72 V162 L167 S168 F169 Q174 T175 R176L72-A172 HydrophobicContact CD1-CB 4.05Å; L72-A172 HydrophobicContact CD2-CB 4.06Å; V162-A172 HydrophobicContact CB-CB 4.03Å; V162-A172 HydrophobicContact CG1-CB 3.65Å; L167-A172 HydrophobicContact CB-CB 4.07Å; L167-A172 HydrophobicContact CD1-CB 4.17Å; S168-A172 WeakPolarHBondContact O-CB 3.37Å; S168-A172 PolarHBondContact O-N 3.11Å; F169-A172 PolarHBondContact O-N 2.96Å; A172-Q174 PolarHBondContact O-N 3.42Å; A172-T175 PolarHBondContact O-N 2.97Å; A172-R176 WeakPolarHBondContact O-CA 3.44Å; A172-R176 WeakPolarHBondContact O-CB 3.39Å; A172-R176 PolarHBondContact O-N 2.91Å
173M97.2Very high96.6Very high4 Ų462 Ų622%0.0233%0.333CS..Hα-helixtrans-59.8-45.4176.3-170.663.370.600112.1F68 L72 F169 E170 V177 F178 I188F68-M173 HydrophobicContact CB-CE 3.88Å; F68-M173 HydrophobicContact CB-SD 3.89Å; L72-M173 HydrophobicContact CB-CE 4.05Å; L72-M173 HydrophobicContact CB-SD 4.49Å; L72-M173 HydrophobicContact CD2-CB 4.26Å; L72-M173 HydrophobicContact CD2-CE 3.75Å; L72-M173 HydrophobicContact CD2-SD 4.39Å; F169-M173 HydrophobicContact CE1-CE 3.94Å; F169-M173 HydrophobicContact CE2-CE 3.98Å; F169-M173 HydrophobicContact CZ-CE 3.36Å; F169-M173 VanDerWaalsContact O-CB 3.26Å; F169-M173 WeakPolarHBondContact O-CB 3.42Å; F169-M173 PolarHBondContact O-N 3.5Å; E170-M173 PolarHBondContact O-N 3.48Å; M173-V177 WeakPolarHBondContact O-CA 3.44Å; M173-V177 WeakPolarHBondContact O-CB 3.33Å; M173-V177 PolarHBondContact O-N 2.79Å; M173-V177 VanDerWaalsContact O-N 3.09Å; M173-V177 HydrophobicContact SD-CB 3.71Å; M173-V177 HydrophobicContact SD-CG1 4.06Å; M173-V177 HydrophobicContact SD-CG2 3.75Å; M173-F178 HydrophobicContact CB-CE2 4.48Å; M173-F178 HydrophobicContact CB-CZ 4.5Å; M173-F178 HydrophobicContact CG-CD1 4.13Å; M173-F178 HydrophobicContact CG-CD2 4.18Å; M173-F178 HydrophobicContact CG-CE1 3.54Å; M173-F178 HydrophobicContact CG-CE2 3.59Å; M173-F178 HydrophobicContact CG-CG 4.43Å; M173-F178 HydrophobicContact CG-CZ 3.23Å; M173-F178 PolarHBondContact O-N 2.98Å; M173-F178 HydrophobicContact SD-CD1 4.41Å; M173-F178 HydrophobicContact SD-CE1 3.81Å; M173-F178 HydrophobicContact SD-CZ 4.07Å; M173-I188 HydrophobicContact CB-CD1 3.82Å; M173-I188 HydrophobicContact CG-CD1 4Å
174Q95.5Very high96.3Very high56 Ų5661.4 Ų61.426%0.26234%0.335SS..Iπ-helixtrans-62.4-49179.8-174.863.946.100111.8E170 Q171 A172 Q179E170-Q174 WeakPolarHBondContact O-CB 3.16Å; E170-Q174 PolarHBondContact O-N 3.14Å; Q171-Q174 PolarHBondContact O-N 3.49Å; A172-Q174 PolarHBondContact O-N 3.42Å; Q174-Q179 WeakPolarHBondContact O-CB 3.41Å; Q174-Q179 VanDerWaalsContact O-CG 3.32Å; Q174-Q179 WeakPolarHBondContact O-CG 3.13Å; Q174-Q179 PolarHBondContact O-N 3.25Å
175T97.4Very high95.9Very high62 Ų6262.9 Ų62.938%0.3834%0.337SS..Iπ-helixtrans-83.6-31.7-17155.30000113.6Q171 A172 P180Q171-T175 WeakPolarHBondContact O-CB 3.35Å; Q171-T175 WeakPolarHBondContact O-CG2 3.43Å; Q171-T175 PolarHBondContact O-N 3.34Å; Q171-T175 PolarHBondContact O-OG1 2.97Å; A172-T175 PolarHBondContact O-N 2.97Å; T175-P180 WeakPolarHBondContact O-CD 3.45Å; T175-P180 WeakPolarHBondContact O-CG 3.2Å
176R97.6Very high95.8Very high35 Ų3563 Ų6313%0.13234%0.336CS..Iπ-helixtrans-102.3-20.4-173.9-61.3164.6165.7-143.2-2.3113.6L72 D75 E81 A172L72-R176 HydrophobicContact CD1-CB 3.94Å; D75-R176 VanDerWaalsContact OD2-CD 3.27Å; D75-R176 WeakPolarHBondContact OD2-CD 3.41Å; D75-R176 IonicContact OD2-CZ 3.4Å; D75-R176 IonicContact OD2-NE 2.7Å; D75-R176 IonicContact OD2-NH1 3.81Å; D75-R176 PolarHBondContact OD2-NH1 2.8Å; E81-R176 IonicContact OE1-CZ 2.87Å; E81-R176 IonicContact OE1-NH1 3.51Å; E81-R176 PolarHBondContact OE1-NH1 2.78Å; E81-R176 IonicContact OE1-NH2 2.84Å; E81-R176 PolarHBondContact OE1-NH2 3.05Å; E81-R176 IonicContact OE2-CZ 3.29Å; E81-R176 IonicContact OE2-NH1 2.79Å; E81-R176 PolarHBondContact OE2-NH1 2.96Å; E81-R176 IonicContact OE2-NH2 3.02Å; A172-R176 WeakPolarHBondContact O-CA 3.44Å; A172-R176 WeakPolarHBondContact O-CB 3.39Å; A172-R176 PolarHBondContact O-N 2.91Å
177V97.1Very high95.5Very high1 Ų162.6 Ų62.61%0.00631%0.313CS..Iπ-helixtrans-119.2-58.7-178.7-1740000111.6F68 V71 L72 M173 L181F68-V177 HydrophobicContact CD1-CG1 4.04Å; V71-V177 HydrophobicContact CG1-CG1 3.95Å; V71-V177 HydrophobicContact CG1-CG2 4.07Å; L72-V177 HydrophobicContact CB-CG2 3.91Å; L72-V177 HydrophobicContact CD1-CG2 4.01Å; M173-V177 WeakPolarHBondContact O-CA 3.44Å; M173-V177 WeakPolarHBondContact O-CB 3.33Å; M173-V177 PolarHBondContact O-N 2.79Å; M173-V177 VanDerWaalsContact O-N 3.09Å; M173-V177 HydrophobicContact SD-CB 3.71Å; M173-V177 HydrophobicContact SD-CG1 4.06Å; M173-V177 HydrophobicContact SD-CG2 3.75Å; V177-L181 HydrophobicContact CG1-CD1 3.94Å; V177-L181 VanDerWaalsContact O-CB 3.28Å; V177-L181 WeakPolarHBondContact O-CB 3.19Å; V177-L181 VanDerWaalsContact O-CG 3.28Å; V177-L181 WeakPolarHBondContact O-CG 3.15Å; V177-L181 PolarHBondContact O-N 2.98Å
178F96.4Very high95.2Very high10 Ų1063.3 Ų63.34%0.04432%0.316CS..Iπ-helixtrans-68.1-49.9-171.9-59.6-20.1000112.7F68 M173 K182 L183 T186F68-F178 HydrophobicContact CD1-CD1 4.3Å; F68-F178 AromaticContact CD1-CE1 3.65Å; F68-F178 HydrophobicContact CD1-CE1 3.65Å; F68-F178 HydrophobicContact CE1-CD1 4.41Å; F68-F178 AromaticContact CE1-CE1 3.96Å; F68-F178 HydrophobicContact CE1-CE1 3.96Å; F68-F178 HydrophobicContact CG-CE1 4.43Å; M173-F178 HydrophobicContact CB-CE2 4.48Å; M173-F178 HydrophobicContact CB-CZ 4.5Å; M173-F178 HydrophobicContact CG-CD1 4.13Å; M173-F178 HydrophobicContact CG-CD2 4.18Å; M173-F178 HydrophobicContact CG-CE1 3.54Å; M173-F178 HydrophobicContact CG-CE2 3.59Å; M173-F178 HydrophobicContact CG-CG 4.43Å; M173-F178 HydrophobicContact CG-CZ 3.23Å; M173-F178 PolarHBondContact O-N 2.98Å; M173-F178 HydrophobicContact SD-CD1 4.41Å; M173-F178 HydrophobicContact SD-CE1 3.81Å; M173-F178 HydrophobicContact SD-CZ 4.07Å; F178-K182 PolarHBondContact O-N 2.87Å; F178-K182 VanDerWaalsContact O-N 3.09Å; F178-L183 HydrophobicContact CB-CB 4.25Å; F178-L183 HydrophobicContact CD1-CB 4.48Å; F178-L183 HydrophobicContact CD1-CD1 4.12Å; F178-L183 PolarHBondContact O-N 2.67Å; F178-T186 HydrophobicContact CD1-CG2 4.07Å; F178-T186 HydrophobicContact CD2-CG2 4.43Å; F178-T186 WeakPolarHBondContact CD2-O 3.39Å; F178-T186 HydrophobicContact CE1-CG2 3.64Å; F178-T186 HydrophobicContact CE2-CG2 4.05Å; F178-T186 HydrophobicContact CG-CG2 4.46Å; F178-T186 HydrophobicContact CZ-CG2 3.63Å
179Q96.6Very high94.8Very high106 Ų10667.1 Ų67.150%0.49533%0.333SS..THydrogen-bonded Turntrans-63.1-49.7-179.7-75.4172.8-10.400113.1Q174 L181 K182Q174-Q179 WeakPolarHBondContact O-CB 3.41Å; Q174-Q179 VanDerWaalsContact O-CG 3.32Å; Q174-Q179 WeakPolarHBondContact O-CG 3.13Å; Q174-Q179 PolarHBondContact O-N 3.25Å; Q179-L181 VanDerWaalsContact C-N 3.3Å; Q179-L181 PolarHBondContact O-N 3.35Å; Q179-K182 PolarHBondContact O-N 3.43Å
180P96.7Very high94.4Very high85 Ų8566.3 Ų66.355%0.55233%0.332SS*.THydrogen-bonded Turntrans-64.1-33.8-179.3-24.937.4000113.3T175 K182T175-P180 WeakPolarHBondContact O-CD 3.45Å; T175-P180 WeakPolarHBondContact O-CG 3.2Å; P180-K182 VanDerWaalsContact C-N 3.27Å; P180-K182 PolarHBondContact O-N 2.8Å
181L95.3Very high94.2Very high105 Ų10564.7 Ų64.755%0.5533%0.329SS..THydrogen-bonded Turntrans-85.64176.7-60.4178.5000113.3V177 Q179 L183V177-L181 HydrophobicContact CG1-CD1 3.94Å; V177-L181 VanDerWaalsContact O-CB 3.28Å; V177-L181 WeakPolarHBondContact O-CB 3.19Å; V177-L181 VanDerWaalsContact O-CG 3.28Å; V177-L181 WeakPolarHBondContact O-CG 3.15Å; V177-L181 PolarHBondContact O-N 2.98Å; Q179-L181 VanDerWaalsContact C-N 3.3Å; Q179-L181 PolarHBondContact O-N 3.35Å; L181-L183 HydrophobicContact CB-CD1 4.05Å; L181-L183 HydrophobicContact CB-CG 3.87Å; L181-L183 HydrophobicContact CD1-CD1 4.28Å; L181-L183 PolarHBondContact O-N 3.11Å
182K95.2Very high93.9Very high169 Ų16965 Ų6574%0.73534%0.34SS*.THydrogen-bonded Turntrans55.834.1-178.9-55.5179.6179.5179.50113.4F178 Q179 P180 N184F178-K182 PolarHBondContact O-N 2.87Å; F178-K182 VanDerWaalsContact O-N 3.09Å; Q179-K182 PolarHBondContact O-N 3.43Å; P180-K182 VanDerWaalsContact C-N 3.27Å; P180-K182 PolarHBondContact O-N 2.8Å; K182-N184 PolarHBondContact O-N 2.78Å
183L94.4Very high93.7Very high53 Ų5368.5 Ų68.528%0.27737%0.368SS..  trans-82.463.6176.6-59.1176.1000110.5F68 F178 L181 H185 T186F68-L183 HydrophobicContact CE1-CD1 3.65Å; F68-L183 HydrophobicContact CZ-CD1 4.44Å; F178-L183 HydrophobicContact CB-CB 4.25Å; F178-L183 HydrophobicContact CD1-CB 4.48Å; F178-L183 HydrophobicContact CD1-CD1 4.12Å; F178-L183 PolarHBondContact O-N 2.67Å; L181-L183 HydrophobicContact CB-CD1 4.05Å; L181-L183 HydrophobicContact CB-CG 3.87Å; L181-L183 HydrophobicContact CD1-CD1 4.28Å; L181-L183 PolarHBondContact O-N 3.11Å; L183-H185 PolarHBondContact O-N 2.97Å; L183-T186 PolarHBondContact O-N 2.95Å
184N90.7Very high93.5Very high107 Ų10770.2 Ų70.257%0.57238%0.377SS*.THydrogen-bonded Turntrans-72.1-11.5-170-62-25000114.4K182 W187K182-N184 PolarHBondContact O-N 2.78Å; N184-W187 WeakPolarHBondContact O-CZ2 3.28Å
185H91.7Very high93.1Very high91 Ų9171.6 Ų71.642%0.42138%0.383SS..THydrogen-bonded Turntrans-114.144.2176-69.8-92.1000111.5L58 L183 W187L58-H185 HydrophobicContact CD2-CB 4.37Å; L183-H185 PolarHBondContact O-N 2.97Å; H185-W187 VanDerWaalsContact C-CZ3 3.5Å; H185-W187 VanDerWaalsContact CA-CH2 3.43Å; H185-W187 HydrophobicContact CB-CH2 4.1Å; H185-W187 HydrophobicContact CB-CZ3 4.2Å; H185-W187 AromaticContact ND1-CH2 3.81Å
186T93.8Very high92.7Very high32 Ų3276 Ų7620%0.19640%0.397CS..  trans-142.4124.1-177.4-56.80000109F178 L183F178-T186 HydrophobicContact CD1-CG2 4.07Å; F178-T186 HydrophobicContact CD2-CG2 4.43Å; F178-T186 WeakPolarHBondContact CD2-O 3.39Å; F178-T186 HydrophobicContact CE1-CG2 3.64Å; F178-T186 HydrophobicContact CE2-CG2 4.05Å; F178-T186 HydrophobicContact CG-CG2 4.46Å; F178-T186 HydrophobicContact CZ-CG2 3.63Å; L183-T186 PolarHBondContact O-N 2.95Å
187W91.7Very high92.4Very high62 Ų6275.8 Ų75.824%0.23540%0.398CS..  trans-143.3150.6-175.2-58.8-82.9000111L58 N184 H185 N189 V190 P191 E194L58-W187 HydrophobicContact CD1-CE3 4.05Å; L58-W187 HydrophobicContact CD1-CZ3 3.65Å; L58-W187 HydrophobicContact CD2-CE3 4.22Å; L58-W187 HydrophobicContact CD2-CZ3 3.63Å; L58-W187 HydrophobicContact CG-CZ3 4.28Å; N184-W187 WeakPolarHBondContact O-CZ2 3.28Å; H185-W187 VanDerWaalsContact C-CZ3 3.5Å; H185-W187 VanDerWaalsContact CA-CH2 3.43Å; H185-W187 HydrophobicContact CB-CH2 4.1Å; H185-W187 HydrophobicContact CB-CZ3 4.2Å; H185-W187 AromaticContact ND1-CH2 3.81Å; W187-N189 WeakPolarHBondContact CB-O 3.4Å; W187-V190 HydrophobicContact CB-CG2 4.4Å; W187-P191 HydrophobicContact CD2-CG 4.47Å; W187-P191 HydrophobicContact CG-CG 4.45Å; W187-E194 HydrophobicContact CH2-CB 4.2Å; W187-E194 HydrophobicContact CH2-CG 3.53Å; W187-E194 HydrophobicContact CZ2-CG 3.96Å; W187-E194 HydrophobicContact CZ3-CB 4.2Å; W187-E194 HydrophobicContact CZ3-CG 4.04Å
188I89.8Confident92.1Very high73 Ų7377 Ų7737%0.37440%0.403SS..SBendtrans-79.5-50.5162.5-69.1160.2000109.1F169 E170 M173F169-I188 HydrophobicContact CD1-CD1 3.84Å; F169-I188 HydrophobicContact CE1-CD1 3.77Å; E170-I188 HydrophobicContact CB-CD1 4.2Å; E170-I188 HydrophobicContact CG-CB 4.23Å; E170-I188 HydrophobicContact CG-CD1 4.07Å; E170-I188 HydrophobicContact CG-CG2 3.85Å; M173-I188 HydrophobicContact CB-CD1 3.82Å; M173-I188 HydrophobicContact CG-CD1 4Å
189N87.7Confident91.7Very high123 Ų12377.2 Ų77.266%0.65841%0.406SS*.SBendtrans-103.7105.4172.1-63.6-36.5000109.1W187 P191W187-N189 WeakPolarHBondContact CB-O 3.4Å; N189-P191 WeakPolarHBondContact O-CD 3.03Å
190V87.5Confident91Very high34 Ų3474.4 Ų74.421%0.20639%0.391CS..  trans-66.3124.4-179.9178.50000110.1L58 W187 E194 Y198L58-V190 HydrophobicContact CD1-CG1 3.83Å; W187-V190 HydrophobicContact CB-CG2 4.4Å; V190-E194 HydrophobicContact CG1-CB 3.85Å; V190-Y198 HydrophobicContact CG2-CD2 4.28Å; V190-Y198 HydrophobicContact CG2-CE2 4.08Å
191P91.2Very high90.1Very high47 Ų4772.2 Ų72.231%0.30538%0.384SS..  trans-61.8147.5177.3-23.333.5000112.5W187 N189 A193 E194 E195W187-P191 HydrophobicContact CD2-CG 4.47Å; W187-P191 HydrophobicContact CG-CG 4.45Å; N189-P191 WeakPolarHBondContact O-CD 3.03Å; P191-A193 PolarHBondContact O-N 3.28Å; P191-A193 VanDerWaalsContact O-N 3.11Å; P191-E194 PolarHBondContact O-N 3.02Å; P191-E195 PolarHBondContact O-N 3.24Å
192P91.1Very high88.9Confident111 Ų11169.3 Ų69.372%0.72137%0.366SS*.G310 helixtrans-52.1-37.8179.2-30.136.2000114.5E194 E195P192-E194 PolarHBondContact O-N 3.36Å; P192-E195 WeakPolarHBondContact O-CB 3.21Å; P192-E195 PolarHBondContact O-N 3.28Å
193A93.4Very high87.6Confident72 Ų7268.7 Ų68.760%0.59536%0.359SS*.G310 helixtrans-64.6-23.7178.900000113.9P191 K196P191-A193 PolarHBondContact O-N 3.28Å; P191-A193 VanDerWaalsContact O-N 3.11Å; A193-K196 WeakPolarHBondContact O-CE 3.19Å
194E92.1Very high86.2Confident41 Ų4174.1 Ų74.119%0.19238%0.383CS..G310 helixtrans-96.2-8.3-178.1-67.7-62.1144.600112.7L58 W187 V190 P191 P192 K196 N197L58-E194 HydrophobicContact CD1-CB 4.11Å; W187-E194 HydrophobicContact CH2-CB 4.2Å; W187-E194 HydrophobicContact CH2-CG 3.53Å; W187-E194 HydrophobicContact CZ2-CG 3.96Å; W187-E194 HydrophobicContact CZ3-CB 4.2Å; W187-E194 HydrophobicContact CZ3-CG 4.04Å; V190-E194 HydrophobicContact CG1-CB 3.85Å; P191-E194 PolarHBondContact O-N 3.02Å; P192-E194 PolarHBondContact O-N 3.36Å; E194-K196 PolarHBondContact O-N 3.34Å; E194-K196 VanDerWaalsContact O-N 3.12Å; E194-N197 WeakPolarHBondContact O-CB 3.48Å; E194-N197 PolarHBondContact O-N 3.04Å; E194-N197 PolarHBondContact OE2-ND2 3.17Å
195E87.5Confident84.7Confident84 Ų8472.3 Ų72.339%0.39339%0.389SS..G310 helixtrans-60.9-26.6-179.9-69.5-168.8163.300113.5P191 P192 N197 Y198 K211P191-E195 PolarHBondContact O-N 3.24Å; P192-E195 WeakPolarHBondContact O-CB 3.21Å; P192-E195 PolarHBondContact O-N 3.28Å; E195-N197 PolarHBondContact O-N 3.02Å; E195-N197 VanDerWaalsContact O-N 3.15Å; E195-Y198 VanDerWaalsContact O-CB 3.31Å; E195-Y198 WeakPolarHBondContact O-CB 3.29Å; E195-Y198 PolarHBondContact O-N 3.14Å; E195-Y198 VanDerWaalsContact O-N 3.08Å; E195-K211 IonicContact OE1-NZ 2.99Å; E195-K211 PolarHBondContact OE1-NZ 3.41Å
196K89.9Confident83.4Confident155 Ų15575.9 Ų75.967%0.67440%0.404SS*.G310 helixtrans-59.2-22.7173.767.3-175.7177.7-176.40113.1A193 E194A193-K196 WeakPolarHBondContact O-CE 3.19Å; E194-K196 PolarHBondContact O-N 3.34Å; E194-K196 VanDerWaalsContact O-N 3.12Å
197N91.8Very high81.9Confident31 Ų3177.5 Ų77.517%0.16641%0.408CS..G310 helixtrans-92.6-4.7-179.1-66-34.4000112.6Q56 T57 L58 E194 E195Q56-N197 WeakPolarHBondContact O-CB 3.41Å; T57-N197 CarbonylContact C-O 3.58Å; T57-N197 VanDerWaalsContact CA-O 3.27Å; T57-N197 WeakPolarHBondContact CA-O 3.12Å; L58-N197 HydrophobicContact CD1-CB 4.17Å; L58-N197 HydrophobicContact CG-CB 3.99Å; L58-N197 PolarHBondContact N-O 2.83Å; E194-N197 WeakPolarHBondContact O-CB 3.48Å; E194-N197 PolarHBondContact O-N 3.04Å; E194-N197 PolarHBondContact OE2-ND2 3.17Å; E195-N197 PolarHBondContact O-N 3.02Å; E195-N197 VanDerWaalsContact O-N 3.15Å
198Y88.8Confident80.2Confident26 Ų2676.5 Ų76.510%0.10241%0.405CS..BIsolated β-bridgetrans-72.5127.5-172.8-154.1-88.6000112.9L58 E60 V190 E195 W200L58-Y198 HydrophobicContact CB-CD2 4.45Å; E60-Y198 VanDerWaalsContact CD-OH 3.28Å; E60-Y198 WeakPolarHBondContact CG-OH 3.31Å; E60-Y198 PolarHBondContact OE1-OH 2.71Å; V190-Y198 HydrophobicContact CG2-CD2 4.28Å; V190-Y198 HydrophobicContact CG2-CE2 4.08Å; E195-Y198 VanDerWaalsContact O-CB 3.31Å; E195-Y198 WeakPolarHBondContact O-CB 3.29Å; E195-Y198 PolarHBondContact O-N 3.14Å; E195-Y198 VanDerWaalsContact O-N 3.08Å; Y198-W200 HydrophobicContact CD1-CD2 4.14Å; Y198-W200 HydrophobicContact CD1-CZ2 4.42Å; Y198-W200 VanDerWaalsContact O-CD1 3.25Å; Y198-W200 PolarHBondContact O-NE1 2.96Å
199A89.5Confident78.4Confident14 Ų1479.7 Ų79.712%0.11643%0.428CS..PPolyproline II helixtrans-81131.1168.200000110.8A45 T57 L58 F59A45-A199 HydrophobicContact CB-CB 4.23Å; A45-A199 WeakPolarHBondContact O-CA 3.38Å; T57-A199 HydrophobicContact CG2-CB 3.65Å; L58-A199 WeakPolarHBondContact O-CB 3.34Å; L58-A199 PolarHBondContact O-N 2.99Å; F59-A199 HydrophobicContact CD1-CB 3.63Å; F59-A199 HydrophobicContact CE1-CB 3.56Å; F59-A199 HydrophobicContact CG-CB 4.29Å; F59-A199 HydrophobicContact CZ-CB 4.17Å
200W80.8Confident76.5Confident48 Ų4876.3 Ų76.318%0.18241%0.414CS..PPolyproline II helixtrans-99.1139.9-175.9-6789.1000112.6A45 Y198 Y202 K207 K211A45-W200 PolarHBondContact O-N 3.06Å; Y198-W200 HydrophobicContact CD1-CD2 4.14Å; Y198-W200 HydrophobicContact CD1-CZ2 4.42Å; Y198-W200 VanDerWaalsContact O-CD1 3.25Å; Y198-W200 PolarHBondContact O-NE1 2.96Å; W200-Y202 HydrophobicContact CB-CE2 4.11Å; W200-Y202 WeakPolarHBondContact O-CD2 3.36Å; W200-Y202 WeakPolarHBondContact O-CE2 3.31Å; W200-K207 HydrophobicContact CB-CG 4.2Å; W200-K207 HydrophobicContact CD2-CD 4.28Å; W200-K207 HydrophobicContact CD2-CG 4.33Å; W200-K207 VanDerWaalsContact CE2-NZ 3.25Å; W200-K207 HydrophobicContact CE3-CD 4.47Å; W200-K207 HydrophobicContact CE3-CG 4.2Å; W200-K207 HydrophobicContact CG-CD 4.3Å; W200-K207 HydrophobicContact CG-CG 4.31Å; W200-K211 HydrophobicContact CH2-CG 4.31Å; W200-K211 HydrophobicContact CZ3-CG 4.34Å
201G78.8Confident74.7Confident38 Ų3878.8 Ų78.839%0.39242%0.422SS..PPolyproline II helixtrans-74.1141.2166.900000111.3K208G201-K208 PolarHBondContact O-N 3.39Å
202Y69.4Low72.4Confident44 Ų4485.3 Ų85.317%0.17345%0.449CS..EExtended strand (participates in β ladder)trans-118.3138.5177.1-66-93.8000110.1P25 D46 I47 W200 K206 K207P25-Y202 HydrophobicContact CB-CD2 3.78Å; P25-Y202 HydrophobicContact CB-CE2 4.01Å; P25-Y202 HydrophobicContact CG-CD2 3.84Å; P25-Y202 HydrophobicContact CG-CE2 4.34Å; D46-Y202 VanDerWaalsContact CA-OH 3.22Å; D46-Y202 WeakPolarHBondContact CA-OH 3.23Å; D46-Y202 PolarHBondContact OD1-OH 3.21Å; I47-Y202 HydrophobicContact CB-CE1 3.91Å; I47-Y202 HydrophobicContact CB-CE2 4.48Å; I47-Y202 HydrophobicContact CD1-CD1 3.76Å; I47-Y202 HydrophobicContact CD1-CD2 3.81Å; I47-Y202 HydrophobicContact CD1-CE1 3.74Å; I47-Y202 HydrophobicContact CD1-CE2 3.77Å; I47-Y202 HydrophobicContact CD1-CG 3.82Å; I47-Y202 HydrophobicContact CG1-CD2 4.37Å; I47-Y202 HydrophobicContact CG1-CE1 3.99Å; I47-Y202 HydrophobicContact CG1-CE2 3.82Å; I47-Y202 PolarHBondContact N-OH 3.31Å; W200-Y202 HydrophobicContact CB-CE2 4.11Å; W200-Y202 WeakPolarHBondContact O-CD2 3.36Å; W200-Y202 WeakPolarHBondContact O-CE2 3.31Å; Y202-K206 WeakPolarHBondContact CA-O 3.28Å; Y202-K207 HydrophobicContact CE1-CB 4.13Å
203R67.2Low69.8Low157 Ų15784 Ų8459%0.59244%0.439SS*.EExtended strand (participates in β ladder)trans-128.1126.5167.8-175.5179175.8172.53.3107.6G205 K206R203-G205 PolarHBondContact O-N 3.45Å; R203-G205 VanDerWaalsContact O-N 3.17Å; R203-K206 PolarHBondContact N-O 2.84Å; R203-K206 PolarHBondContact O-N 3.39Å
204E65.3Low67.2Low167 Ų16785.9 Ų85.978%0.7843%0.434SS*.THydrogen-bonded Turntrans52.139.5-179.9-64.2159.1-14600112.6K206E204-K206 PolarHBondContact O-N 3.3Å; E204-K206 VanDerWaalsContact O-N 3.14Å
205G60.1Low64.6Low68 Ų6888.1 Ų88.170%0.70145%0.445SS*.THydrogen-bonded Turntrans74.8-8.1-178.400000115.6R203R203-G205 PolarHBondContact O-N 3.45Å; R203-G205 VanDerWaalsContact O-N 3.17Å
206K63.1Low62.3Low166 Ų16694.7 Ų94.772%0.72247%0.467SS*.EExtended strand (participates in β ladder)trans-92.2136.6177.5-63-174.5-176.51780111.1Y202 R203 E204 K208Y202-K206 WeakPolarHBondContact CA-O 3.28Å; R203-K206 PolarHBondContact N-O 2.84Å; R203-K206 PolarHBondContact O-N 3.39Å; E204-K206 PolarHBondContact O-N 3.3Å; E204-K206 VanDerWaalsContact O-N 3.14Å; K206-K208 PolarHBondContact O-N 3.08Å
207K62.9Low59.9Low66 Ų6694.7 Ų94.729%0.28747%0.473SS..EExtended strand (participates in β ladder)trans-61.3128.5170.5-175.9175.6-175.3163.20108.9D46 W200 Y202 T209D46-K207 IonicContact OD2-NZ 3.79Å; D46-K207 PolarHBondContact OD2-NZ 2.92Å; W200-K207 HydrophobicContact CB-CG 4.2Å; W200-K207 HydrophobicContact CD2-CD 4.28Å; W200-K207 HydrophobicContact CD2-CG 4.33Å; W200-K207 VanDerWaalsContact CE2-NZ 3.25Å; W200-K207 HydrophobicContact CE3-CD 4.47Å; W200-K207 HydrophobicContact CE3-CG 4.2Å; W200-K207 HydrophobicContact CG-CD 4.3Å; W200-K207 HydrophobicContact CG-CG 4.31Å; Y202-K207 HydrophobicContact CE1-CB 4.13Å; K207-T209 PolarHBondContact O-N 3.27Å
208K57.1Low57.2Low41 Ų4199 Ų9918%0.17850%0.496CS..PPolyproline II helixtrans-66123.2169.2-73-173.4172.3-170.50109.3G201 K206 T213 M215G201-K208 PolarHBondContact O-N 3.39Å; K206-K208 PolarHBondContact O-N 3.08Å; K208-T213 PolarHBondContact NZ-O 3.15Å; K208-M215 PolarHBondContact NZ-SD 3.08Å
209T51.6Low54.7Low140 Ų140101.1 Ų101.186%0.85951%0.512SS*.SBendtrans-82.6-21.6-17645.80000113.3K207K207-T209 PolarHBondContact O-N 3.27Å
210S48.1Very low52.6Low52 Ų52107.6 Ų107.636%0.36454%0.544SS..  trans-100.2127.7174.754.50000110.8E212 T213S210-E212 PolarHBondContact O-N 3.12Å; S210-T213 WeakPolarHBondContact OG-CB 3.12Å; S210-T213 PolarHBondContact OG-OG1 2.79Å
211K49.3Very low51Low86 Ų86110.9 Ų110.937%0.37457%0.569SS.*THydrogen-bonded Turntrans-63.9-15167.7-64.5-178.7-175.4173.90112.2E195 W200E195-K211 IonicContact OE1-NZ 2.99Å; E195-K211 PolarHBondContact OE1-NZ 3.41Å; W200-K211 HydrophobicContact CH2-CG 4.31Å; W200-K211 HydrophobicContact CZ3-CG 4.34Å
212E43.1Very low49.5Very low184 Ų184111.5 Ų111.586%0.8657%0.57SS**THydrogen-bonded Turntrans-103.83.3-172.5-64.5-161.5158.900116.2S210 F214S210-E212 PolarHBondContact O-N 3.12Å; E212-F214 PolarHBondContact O-N 3.25Å
213T35.9Very low48.2Very low85 Ų85113.8 Ų113.852%0.52160%0.599SS.*  trans-101.572.2179.7-45.60000112.4K208 S210 M215K208-T213 PolarHBondContact NZ-O 3.15Å; S210-T213 WeakPolarHBondContact OG-CB 3.12Å; S210-T213 PolarHBondContact OG-OG1 2.79Å; T213-M215 VanDerWaalsContact C-N 3.28Å; T213-M215 PolarHBondContact O-N 2.66Å
214F39.2Very low47.2Very low111 Ų111107.6 Ų107.649%0.48758%0.581SS.*  trans-77.378.1157.9-146.2-85.6000108.2E212E212-F214 PolarHBondContact O-N 3.25Å
215M37.8Very low46.6Very low87 Ų87104.5 Ų104.543%0.42957%0.574SS.*  45.799.4105.2-145.9149.449.700114.3K208 T213K208-M215 PolarHBondContact NZ-SD 3.08Å; T213-M215 VanDerWaalsContact C-N 3.28Å; T213-M215 PolarHBondContact O-N 2.66Å
216R39Very low45.9Very low223 Ų223105.9 Ų105.984%0.84258%0.578SS**SBendtrans-48.5136.7152.1-65.7177.7176.4-171.9-1.2108.7
217L39.5Very low45.1Very low155 Ų155101.8 Ų101.881%0.81258%0.575SS**SBendtrans73.582.1178.7-59.5157.4000115.5
218L34.1Very low44.4Very low122 Ų122103 Ų10364%0.63958%0.581SS**  trans174.679.7131.9-93.9156.9000111.3
219P37.1Very low43.9Very low69 Ų69105.7 Ų105.745%0.44860%0.597SS.*  trans-90.794.6152.331.4-20000108Y149Y149-P219 HydrophobicContact CE1-CB 4.49Å
220L45Very low43.7Very low150 Ų150104.3 Ų104.379%0.78559%0.588SS**  trans-165.2-7.3156.2-109.4149.8000118.1
221V48.1Very low43.7Very low118 Ų118106.5 Ų106.572%0.71560%0.599SS**SBendtrans-92-16-165.8-179.70000117
222A46.7Very low43.7Very low50 Ų50106.1 Ų106.141%0.41361%0.612SS.*SBendtrans-116.6-3.1-162.200000118.3V64V64-A222 VanDerWaalsContact CG2-C 3.46Å; V64-A222 HydrophobicContact CG2-CB 3.15Å; V64-A222 WeakPolarHBondContact CG2-O 3.37Å
223A42.5Very low44Very low93 Ų93102.3 Ų102.377%0.76960%0.604SS**SBendtrans-100.911.9171.200000113.7
224A46.3Very low45.3Very low26 Ų26102 Ų10222%0.21561%0.606CS.*  trans-120.132.9-17000000112.6F228A224-F228 VanDerWaalsContact CA-CE2 3.46Å; A224-F228 HydrophobicContact CB-CD1 4.24Å; A224-F228 HydrophobicContact CB-CD2 3.33Å; A224-F228 HydrophobicContact CB-CE1 4.1Å; A224-F228 HydrophobicContact CB-CE2 3.16Å; A224-F228 HydrophobicContact CB-CG 3.88Å; A224-F228 HydrophobicContact CB-CZ 3.57Å; A224-F228 WeakPolarHBondContact O-CB 3.27Å; A224-F228 WeakPolarHBondContact O-CD2 3.32Å; A224-F228 WeakPolarHBondContact O-CG 3.39Å
225T51.6Low46.8Very low103 Ų10399.3 Ų99.363%0.63260%0.601SS**SBendtrans-106.6-24.5-175.224.30000115.4
226A46.7Very low48.8Very low96 Ų9696.3 Ų96.379%0.79359%0.587SS**SBendtrans-94.1-35179.500000114
227A45.7Very low51Low80 Ų8090.5 Ų90.566%0.66158%0.577SS**SBendtrans-89.6-10177.900000114.1
228F48.4Very low53.5Low92 Ų9283.9 Ų83.940%0.40454%0.543SS..SBendtrans-92.7-13.7-173.6-81.4-105.8000114.9A224 V230 V231 A232 F326A224-F228 VanDerWaalsContact CA-CE2 3.46Å; A224-F228 HydrophobicContact CB-CD1 4.24Å; A224-F228 HydrophobicContact CB-CD2 3.33Å; A224-F228 HydrophobicContact CB-CE1 4.1Å; A224-F228 HydrophobicContact CB-CE2 3.16Å; A224-F228 HydrophobicContact CB-CG 3.88Å; A224-F228 HydrophobicContact CB-CZ 3.57Å; A224-F228 WeakPolarHBondContact O-CB 3.27Å; A224-F228 WeakPolarHBondContact O-CD2 3.32Å; A224-F228 WeakPolarHBondContact O-CG 3.39Å; F228-V230 PolarHBondContact O-N 2.92Å; F228-V231 PolarHBondContact O-N 2.85Å; F228-A232 PolarHBondContact O-N 3.1Å; F228-F326 HydrophobicContact CD1-CE1 4.04Å; F228-F326 HydrophobicContact CD1-CZ 4.17Å; F228-F326 HydrophobicContact CE1-CE1 4.07Å; F228-F326 HydrophobicContact CE1-CZ 4.06Å
229L47.1Very low56.2Low97 Ų9778.6 Ų78.651%0.50852%0.516SS..THydrogen-bonded Turntrans-68.8-20.7179.2-75.3167.9000113.1
230V46Very low58.7Low112 Ų11286.5 Ų86.568%0.67954%0.537SS*.THydrogen-bonded Turntrans-79.6-35.9176.8-176.10000111.6F228 S234F228-V230 PolarHBondContact O-N 2.92Å; V230-S234 PolarHBondContact O-OG 3.5Å
231V48.4Very low60.9Low98 Ų9882.5 Ų82.559%0.59453%0.532SS*.THydrogen-bonded Turntrans-77.5-34.2-178.8-173.10000111.7F228 C233 S234F228-V231 PolarHBondContact O-N 2.85Å; V231-C233 PolarHBondContact O-N 3.12Å; V231-C233 VanDerWaalsContact O-N 3.15Å; V231-S234 PolarHBondContact O-N 2.96Å
232A48.5Very low63.1Low78 Ų7877.6 Ų77.665%0.64550%0.502SS*.THydrogen-bonded Turntrans-63.2-21.7178.300000113.9F228F228-A232 PolarHBondContact O-N 3.1Å
233C50.8Low65.4Low103 Ų10379.5 Ų79.570%0.69651%0.509SS*.THydrogen-bonded Turntrans-88.1-12.6175.9-65.90000113.7V231 S235V231-C233 PolarHBondContact O-N 3.12Å; V231-C233 VanDerWaalsContact O-N 3.15Å; C233-S235 PolarHBondContact O-N 2.92Å
234S62.5Low68Low80 Ų8075.4 Ų75.456%0.55947%0.474SS*.  trans-84101.8178.8-55.20000108.5V230 V231V230-S234 PolarHBondContact O-OG 3.5Å; V231-S234 PolarHBondContact O-N 2.96Å
235S71.1Confident70.4Confident54 Ų5475.5 Ų75.538%0.37847%0.472SS..  trans-66.6130.9170.9-68.30000108.5C233 T237 K319C233-S235 PolarHBondContact O-N 2.92Å; S235-T237 PolarHBondContact O-N 3.33Å; S235-K319 PolarHBondContact OG-NZ 2.79Å
236P80.2Confident72.5Confident23 Ų2375.2 Ų75.215%0.14947%0.467CS..  trans-59139.2178.724.7-32.9000109.4K319 P347P236-K319 HydrophobicContact CG-CB 3.53Å; P236-P347 HydrophobicContact CB-CB 4.49Å
237T85.2Confident74.9Confident102 Ų10277.4 Ų77.463%0.62647%0.466SS*.  trans-108.2156.6175.9560000108.9S235S235-T237 PolarHBondContact O-N 3.33Å
238P91.1Very high77.3Confident16 Ų1674 Ų7410%0.10444%0.436CS..PPolyproline II helixtrans-55.5151.7170.4-20.229.7000111V244 A317 N331P238-V244 HydrophobicContact CB-CG1 3.92Å; P238-V244 HydrophobicContact CG-CG1 3.59Å; P238-A317 HydrophobicContact CG-CB 4.15Å; P238-N331 HydrophobicContact CB-CB 4.46Å; P238-N331 WeakPolarHBondContact CG-OD1 3.45Å
239P91.6Very high79.7Confident10 Ų1072.9 Ų72.97%0.06543%0.434CS..PPolyproline II helixtrans-55.1146.7177.3-18.327.4000110.9G241 V242 R349P239-G241 PolarHBondContact O-N 2.89Å; P239-V242 HydrophobicContact CB-CB 4.36Å; P239-V242 HydrophobicContact CB-CG2 3.76Å; P239-V242 HydrophobicContact CG-CG2 4.07Å; P239-V242 WeakPolarHBondContact O-CB 3.38Å; P239-V242 PolarHBondContact O-N 3.34Å; P239-R349 HydrophobicContact CB-CG 4.46Å
240R89.5Confident82Confident235 Ų23569 Ų6989%0.88742%0.416SS*.THydrogen-bonded Turntrans-56.6130.7-178.8-162-178.6-154.7156.45.1110.8V242 R349R240-V242 VanDerWaalsContact C-N 3.27Å; R240-V242 PolarHBondContact O-N 2.96Å; R240-R349 PolarHBondContact O-NH1 3.29Å; R240-R349 VanDerWaalsContact O-NH1 3.13Å; R240-R349 PolarHBondContact O-NH2 2.94Å
241G91Very high84.4Confident67 Ų6771 Ų7169%0.69142%0.416SS*.THydrogen-bonded Turntrans82.6-6.2-179.400000114.9P239P239-G241 PolarHBondContact O-N 2.89Å
242V94.4Very high86.7Confident14 Ų1471.4 Ų71.49%0.08541%0.406CS..PPolyproline II helixtrans-84128.8178176.10000110.5P239 R240 I333 E376 F378P239-V242 HydrophobicContact CB-CB 4.36Å; P239-V242 HydrophobicContact CB-CG2 3.76Å; P239-V242 HydrophobicContact CG-CG2 4.07Å; P239-V242 WeakPolarHBondContact O-CB 3.38Å; P239-V242 PolarHBondContact O-N 3.34Å; R240-V242 VanDerWaalsContact C-N 3.27Å; R240-V242 PolarHBondContact O-N 2.96Å; V242-I333 HydrophobicContact CG1-CB 4.28Å; V242-I333 HydrophobicContact CG1-CG2 3.36Å; V242-E376 VanDerWaalsContact CA-OE2 3.3Å; V242-E376 WeakPolarHBondContact CA-OE2 3.36Å; V242-E376 HydrophobicContact CG2-CB 4.46Å; V242-F378 HydrophobicContact CG2-CE2 4.17Å; V242-F378 HydrophobicContact CG2-CZ 4.44Å
243T94Very high89.1Confident90 Ų9067.9 Ų67.955%0.55238%0.376SS*.PPolyproline II helixtrans-93.2127177.5-56.50000110.7E376T243-E376 PolarHBondContact N-OE2 2.96Å
244V97Very high91.3Very high7 Ų764.9 Ų64.94%0.04235%0.353CS..PPolyproline II helixtrans-93.9153174.7-61.30000111.3P238 N246 R315 A317 N331 V332 I333P238-V244 HydrophobicContact CB-CG1 3.92Å; P238-V244 HydrophobicContact CG-CG1 3.59Å; V244-N246 PolarHBondContact O-N 3.13Å; V244-R315 HydrophobicContact CG2-CG 3.53Å; V244-A317 HydrophobicContact CG1-CB 4.41Å; V244-A317 HydrophobicContact CG2-CB 4.4Å; V244-N331 HydrophobicContact CG1-CB 3.87Å; V244-V332 CarbonylContact C-O 3.53Å; V244-V332 WeakPolarHBondContact CA-O 3.33Å; V244-I333 HydrophobicContact CG1-CG2 4.45Å
245V97.5Very high93Very high28 Ų2862.5 Ų62.517%0.1734%0.341CS..PPolyproline II helixtrans-60.5128.3176.1174.20000110.3A316 V332 L335V245-A316 HydrophobicContact CB-CB 4.03Å; V245-A316 WeakPolarHBondContact O-CB 3.45Å; V245-A316 PolarHBondContact O-N 2.78Å; V245-V332 HydrophobicContact CG2-CG1 4.14Å; V245-V332 PolarHBondContact N-O 2.89Å; V245-L335 HydrophobicContact CG1-CB 4.3Å; V245-L335 HydrophobicContact CG1-CD2 4.36Å; V245-L335 HydrophobicContact CG2-CB 3.92Å
246N96.1Very high94.3Very high97 Ų9762.6 Ų62.652%0.51934%0.34SS..BIsolated β-bridgetrans-101.3168.3169.2-67.2-62.3000110V244 F248 T314V244-N246 PolarHBondContact O-N 3.13Å; N246-F248 PolarHBondContact O-N 3.47Å; N246-T314 CarbonylContact C-O 3.39Å; N246-T314 WeakPolarHBondContact CA-O 3.49Å
247N95.8Very high95.2Very high143 Ų14361.5 Ų61.577%0.76533%0.333SS*.SBendtrans56.333.4-170.9-55.1-38.6000112.5T314N247-T314 PolarHBondContact N-O 2.63Å
248F97.6Very high95.9Very high8 Ų859.8 Ų59.84%0.03532%0.315CS..  trans-69.8133.5176.9-175.7-106.2000111N246 A250 Y253 F309 T314 A316 V332 L335 Y339N246-F248 PolarHBondContact O-N 3.47Å; F248-A250 HydrophobicContact CE1-CB 4.04Å; F248-Y253 AromaticContact CE2-CD2 3.51Å; F248-Y253 HydrophobicContact CE2-CD2 3.51Å; F248-Y253 HydrophobicContact CE2-CE2 4.13Å; F248-Y253 AromaticContact CE2-CG 3.79Å; F248-Y253 HydrophobicContact CE2-CG 3.79Å; F248-Y253 VanDerWaalsContact CZ-CB 3.49Å; F248-Y253 HydrophobicContact CZ-CD1 4.05Å; F248-Y253 AromaticContact CZ-CD2 3.74Å; F248-Y253 HydrophobicContact CZ-CD2 3.74Å; F248-Y253 HydrophobicContact CZ-CE2 4.45Å; F248-Y253 AromaticContact CZ-CG 3.49Å; F248-Y253 HydrophobicContact CZ-CG 3.49Å; F248-Y253 VanDerWaalsContact CZ-CG 3.49Å; F248-F309 AromaticContact CD1-CE1 3.9Å; F248-F309 HydrophobicContact CD1-CE1 3.9Å; F248-F309 HydrophobicContact CD1-CZ 4.16Å; F248-F309 AromaticContact CE1-CE1 3.94Å; F248-F309 HydrophobicContact CE1-CE1 3.94Å; F248-F309 AromaticContact CE1-CZ 3.93Å; F248-F309 HydrophobicContact CE1-CZ 3.93Å; F248-T314 WeakPolarHBondContact CB-O 3.28Å; F248-T314 PolarHBondContact N-O 3.36Å; F248-A316 HydrophobicContact CB-CB 3.87Å; F248-A316 HydrophobicContact CD1-CB 4.19Å; F248-A316 HydrophobicContact CD2-CB 3.6Å; F248-A316 HydrophobicContact CE2-CB 4.12Å; F248-A316 HydrophobicContact CG-CB 3.62Å; F248-V332 HydrophobicContact CE2-CG2 4.44Å; F248-L335 HydrophobicContact CD2-CD2 3.8Å; F248-L335 HydrophobicContact CE2-CD2 3.88Å; F248-Y339 HydrophobicContact CD2-CE1 4.29Å; F248-Y339 HydrophobicContact CE2-CE1 4.14Å
249D97.3Very high96.2Very high68 Ų6859.2 Ų59.236%0.36431%0.311SS..  trans-112.7102.8173.2-176.4-12.3000109K251 R252 Y253 Y339D249-K251 PolarHBondContact O-N 3.31Å; D249-K251 VanDerWaalsContact O-N 3.17Å; D249-K251 WeakPolarHBondContact OD1-CB 3.35Å; D249-K251 PolarHBondContact OD1-N 3.21Å; D249-R252 HydrophobicContact CB-CB 4.27Å; D249-R252 HydrophobicContact CB-CG 4.12Å; D249-R252 PolarHBondContact O-N 2.93Å; D249-R252 VanDerWaalsContact O-N 3.13Å; D249-R252 WeakPolarHBondContact OD2-CG 3.49Å; D249-Y253 PolarHBondContact O-N 3.33Å; D249-Y339 PolarHBondContact N-OH 3.04Å; D249-Y339 WeakPolarHBondContact O-CE1 3.37Å
250A95.8Very high96.5Very high16 Ų1659.3 Ų59.313%0.13231%0.311CS..Hα-helixtrans-56.4-32.5179.900000112.8F248 Y253 L254 F309F248-A250 HydrophobicContact CE1-CB 4.04Å; A250-Y253 PolarHBondContact O-N 3.3Å; A250-L254 WeakPolarHBondContact O-CG 3.44Å; A250-L254 PolarHBondContact O-N 2.94Å; A250-F309 HydrophobicContact CB-CE2 4.33Å; A250-F309 HydrophobicContact CB-CZ 3.87Å
251K96.5Very high96.9Very high154 Ų15448.1 Ų48.167%0.6727%0.269SS*.Hα-helixtrans-67.6-37.9-179-65.2-178.9178.1178.50111.5D249 Y253 L254D249-K251 PolarHBondContact O-N 3.31Å; D249-K251 VanDerWaalsContact O-N 3.17Å; D249-K251 WeakPolarHBondContact OD1-CB 3.35Å; D249-K251 PolarHBondContact OD1-N 3.21Å; K251-Y253 PolarHBondContact O-N 3.49Å; K251-L254 WeakPolarHBondContact O-CG 3.16Å; K251-L254 PolarHBondContact O-N 3.24Å
252R98Very high97.2Very high107 Ų10745.5 Ų45.540%0.40424%0.238SC..Hα-helixtrans-72.6-19.9176.3-65.6-177.970.1-160.6-2.1112.8D249 R337 E338 Y339 R357D249-R252 HydrophobicContact CB-CB 4.27Å; D249-R252 HydrophobicContact CB-CG 4.12Å; D249-R252 PolarHBondContact O-N 2.93Å; D249-R252 VanDerWaalsContact O-N 3.13Å; D249-R252 WeakPolarHBondContact OD2-CG 3.49Å; R252-R337 PolarHBondContact NH1-O 2.96Å; R252-R337 PolarHBondContact NH2-O 2.8Å; R252-E338 IonicContact NH2-OE2 2.8Å; R252-Y339 VanDerWaalsContact C-CD1 3.48Å; R252-Y339 HydrophobicContact CB-CD1 3.53Å; R252-Y339 HydrophobicContact CB-CD2 4.22Å; R252-Y339 HydrophobicContact CB-CE1 3.62Å; R252-Y339 HydrophobicContact CB-CE2 4.33Å; R252-Y339 HydrophobicContact CB-CG 3.85Å; R252-Y339 VanDerWaalsContact CZ-CD2 3.5Å; R252-R357 PolarHBondContact O-NH2 3.38Å
253Y98.1Very high97.4Very high3 Ų345 Ų451%0.01223%0.234CC..Hα-helixtrans-85.2-14.9177.2-156.8-98.1000113.7F248 D249 A250 K251 W257 Y278 Y330 V332 L335 Y339 A342 R357F248-Y253 AromaticContact CE2-CD2 3.51Å; F248-Y253 HydrophobicContact CE2-CD2 3.51Å; F248-Y253 HydrophobicContact CE2-CE2 4.13Å; F248-Y253 AromaticContact CE2-CG 3.79Å; F248-Y253 HydrophobicContact CE2-CG 3.79Å; F248-Y253 VanDerWaalsContact CZ-CB 3.49Å; F248-Y253 HydrophobicContact CZ-CD1 4.05Å; F248-Y253 AromaticContact CZ-CD2 3.74Å; F248-Y253 HydrophobicContact CZ-CD2 3.74Å; F248-Y253 HydrophobicContact CZ-CE2 4.45Å; F248-Y253 AromaticContact CZ-CG 3.49Å; F248-Y253 HydrophobicContact CZ-CG 3.49Å; F248-Y253 VanDerWaalsContact CZ-CG 3.49Å; D249-Y253 PolarHBondContact O-N 3.33Å; A250-Y253 PolarHBondContact O-N 3.3Å; K251-Y253 PolarHBondContact O-N 3.49Å; Y253-W257 AromaticContact CD1-NE1 3.98Å; Y253-W257 HydrophobicContact CD2-CH2 4.34Å; Y253-W257 AromaticContact CD2-CZ2 3.51Å; Y253-W257 HydrophobicContact CD2-CZ2 3.51Å; Y253-W257 AromaticContact CE1-NE1 3.97Å; Y253-W257 AromaticContact CE2-CE2 3.87Å; Y253-W257 AromaticContact CE2-CH2 3.99Å; Y253-W257 HydrophobicContact CE2-CH2 3.99Å; Y253-W257 AromaticContact CE2-CZ2 3.43Å; Y253-W257 HydrophobicContact CE2-CZ2 3.43Å; Y253-W257 VanDerWaalsContact CE2-CZ2 3.43Å; Y253-W257 HydrophobicContact CG-CZ2 4.19Å; Y253-W257 PolarHBondContact O-NE1 3.31Å; Y253-Y278 HydrophobicContact CD1-CD2 4.24Å; Y253-Y278 HydrophobicContact CD1-CG 4.4Å; Y253-Y278 HydrophobicContact CE1-CD2 4.11Å; Y253-Y278 HydrophobicContact CE1-CE1 4.46Å; Y253-Y278 AromaticContact CE1-CE2 3.93Å; Y253-Y278 HydrophobicContact CE1-CE2 3.93Å; Y253-Y278 HydrophobicContact CE1-CG 4.5Å; Y253-Y330 HydrophobicContact CE1-CE1 4.48Å; Y253-Y330 PolarHBondContact OH-OH 3.17Å; Y253-V332 HydrophobicContact CE2-CG2 4.28Å; Y253-L335 HydrophobicContact CD2-CD1 4.31Å; Y253-L335 HydrophobicContact CD2-CD2 4.46Å; Y253-L335 HydrophobicContact CE2-CD1 4.13Å; Y253-Y339 HydrophobicContact CD2-CD1 4.1Å; Y253-Y339 HydrophobicContact CD2-CE1 4.37Å; Y253-A342 HydrophobicContact CE2-CB 4.1Å; Y253-R357 PolarHBondContact O-NH2 3.32Å
254L98Very high97.2Very high41 Ų4144.4 Ų44.422%0.21523%0.228CC..  trans-61164.5179.6-56.3179000112.7A250 K251 L280 L286 R357A250-L254 WeakPolarHBondContact O-CG 3.44Å; A250-L254 PolarHBondContact O-N 2.94Å; K251-L254 WeakPolarHBondContact O-CG 3.16Å; K251-L254 PolarHBondContact O-N 3.24Å; L254-L280 HydrophobicContact CD1-CD1 3.76Å; L254-L280 HydrophobicContact CD1-CG 3.68Å; L254-L280 HydrophobicContact CD2-CG 4.11Å; L254-L286 HydrophobicContact CD2-CD2 3.71Å; L254-R357 VanDerWaalsContact O-CZ 3.29Å; L254-R357 PolarHBondContact O-NH1 2.68Å; L254-R357 PolarHBondContact O-NH2 3.31Å
255G98Very high96.6Very high29 Ų2944.2 Ų44.230%0.29923%0.227SC..EExtended strand (participates in β ladder)trans88.7-166.3-178.100000112.6T277 Y278G255-T277 WeakPolarHBondContact O-CA 3.44Å; G255-Y278 PolarHBondContact N-O 3.19Å; G255-Y278 PolarHBondContact O-N 2.7Å
256T98.5Very high95.9Very high57 Ų5753.2 Ų53.235%0.3526%0.257SS..EExtended strand (participates in β ladder)trans-84.6139.3-172.3-50.40000111.7T275 T277 R357T256-T275 HydrophobicContact CG2-CG2 4.04Å; T256-T277 PolarHBondContact OG1-OG1 3.25Å; T256-R357 WeakPolarHBondContact O-CD 3.45Å; T256-R357 PolarHBondContact O-NH1 2.8Å
257W98.7Very high95.2Very high0 Ų054.4 Ų54.40%026%0.258CS..EExtended strand (participates in β ladder)trans-123137.7166.6-68.879.3000109Y253 T275 A276 Y278 L335 Y339 A342 L355 S356 R357Y253-W257 AromaticContact CD1-NE1 3.98Å; Y253-W257 HydrophobicContact CD2-CH2 4.34Å; Y253-W257 AromaticContact CD2-CZ2 3.51Å; Y253-W257 HydrophobicContact CD2-CZ2 3.51Å; Y253-W257 AromaticContact CE1-NE1 3.97Å; Y253-W257 AromaticContact CE2-CE2 3.87Å; Y253-W257 AromaticContact CE2-CH2 3.99Å; Y253-W257 HydrophobicContact CE2-CH2 3.99Å; Y253-W257 AromaticContact CE2-CZ2 3.43Å; Y253-W257 HydrophobicContact CE2-CZ2 3.43Å; Y253-W257 VanDerWaalsContact CE2-CZ2 3.43Å; Y253-W257 HydrophobicContact CG-CZ2 4.19Å; Y253-W257 PolarHBondContact O-NE1 3.31Å; W257-T275 CarbonylContact O-C 3.48Å; W257-T275 WeakPolarHBondContact O-CA 3.07Å; W257-T275 WeakPolarHBondContact O-CB 3.14Å; W257-A276 PolarHBondContact N-O 3.26Å; W257-A276 PolarHBondContact O-N 3.43Å; W257-Y278 AromaticContact CD1-CD2 3.62Å; W257-Y278 AromaticContact CD1-CE2 3.61Å; W257-Y278 HydrophobicContact CG-CE2 4.25Å; W257-L335 HydrophobicContact CH2-CD1 3.93Å; W257-Y339 VanDerWaalsContact CH2-O 3.31Å; W257-Y339 WeakPolarHBondContact CH2-O 3.42Å; W257-A342 HydrophobicContact CE3-CB 4.42Å; W257-A342 HydrophobicContact CH2-CB 3.89Å; W257-A342 HydrophobicContact CZ3-CB 3.74Å; W257-L355 HydrophobicContact CB-CB 4.2Å; W257-L355 HydrophobicContact CB-CD1 4.37Å; W257-L355 HydrophobicContact CD2-CB 4.21Å; W257-L355 HydrophobicContact CE3-CB 3.57Å; W257-L355 HydrophobicContact CZ3-CB 4.28Å; W257-S356 CarbonylContact C-O 3.57Å; W257-S356 WeakPolarHBondContact CA-O 3.46Å; W257-R357 VanDerWaalsContact CE2-CZ 3.48Å; W257-R357 HydrophobicContact CZ3-CG 4.43Å; W257-R357 VanDerWaalsContact NE1-CZ 3.33Å
258Y98.6Very high94.7Very high65 Ų6548 Ų4826%0.25522%0.224SC..EExtended strand (participates in β ladder)trans-87.9133170.1-64.9-93.2000109I260 T275 L355 S356 R357 T358 P359Y258-I260 PolarHBondContact O-N 3.15Å; Y258-T275 HydrophobicContact CD1-CG2 3.68Å; Y258-T275 HydrophobicContact CE1-CG2 3.88Å; Y258-T275 HydrophobicContact CG-CG2 4.27Å; Y258-L355 CarbonylContact O-C 3.53Å; Y258-L355 VanDerWaalsContact O-CA 3.29Å; Y258-L355 WeakPolarHBondContact O-CA 3.43Å; Y258-S356 PolarHBondContact N-O 3.1Å; Y258-S356 PolarHBondContact O-N 2.7Å; Y258-R357 WeakPolarHBondContact CE2-O 3.28Å; Y258-T358 VanDerWaalsContact CD2-C 3.49Å; Y258-P359 HydrophobicContact CD1-CB 4.26Å; Y258-P359 HydrophobicContact CD1-CG 4.13Å; Y258-P359 HydrophobicContact CE1-CB 4.38Å; Y258-P359 HydrophobicContact CE1-CG 3.81Å; Y258-P359 HydrophobicContact CE2-CG 4.32Å
259E98.2Very high94.2Very high5 Ų554.3 Ų54.32%0.02325%0.247CC..EExtended strand (participates in β ladder)trans-83.6113.2173.2-170.2-173.2117.200109.5R262 V274 L355 V386 Q388E259-R262 WeakPolarHBondContact OE1-CB 3.45Å; E259-R262 WeakPolarHBondContact OE1-CD 3.36Å; E259-R262 WeakPolarHBondContact OE1-CG 3.45Å; E259-R262 IonicContact OE1-CZ 3.43Å; E259-R262 IonicContact OE1-NE 2.63Å; E259-R262 IonicContact OE1-NH1 3Å; E259-R262 PolarHBondContact OE1-NH1 2.9Å; E259-V274 HydrophobicContact CB-CB 4.01Å; E259-V274 HydrophobicContact CB-CG1 4.09Å; E259-V274 PolarHBondContact N-O 2.98Å; E259-V274 WeakPolarHBondContact OE2-CG1 3.48Å; E259-L355 HydrophobicContact CB-CD2 4.08Å; E259-L355 HydrophobicContact CG-CD2 4.13Å; E259-V386 HydrophobicContact CG-CG2 4.13Å; E259-V386 VanDerWaalsContact O-CB 3.29Å; E259-V386 WeakPolarHBondContact O-CB 3.38Å; E259-V386 WeakPolarHBondContact OE1-CG2 3.44Å; E259-Q388 PolarHBondContact O-NE2 3Å
260I98.2Very high93.9Very high12 Ų1253 Ų536%0.06225%0.25CS..EExtended strand (participates in β ladder)trans-90.9-40.8-174.3-56.7-56.9000111.1Y258 I354 P359 I361 W385 V386 Q388Y258-I260 PolarHBondContact O-N 3.15Å; I260-I354 HydrophobicContact CB-CB 4.33Å; I260-I354 HydrophobicContact CB-CG2 4.08Å; I260-I354 PolarHBondContact N-O 2.85Å; I260-P359 VanDerWaalsContact CD1-O 3.26Å; I260-P359 WeakPolarHBondContact CD1-O 3.41Å; I260-I361 HydrophobicContact CD1-CG2 4.46Å; I260-I361 HydrophobicContact CG1-CG2 4.07Å; I260-I361 HydrophobicContact CG2-CD1 3.85Å; I260-I361 HydrophobicContact CG2-CG1 4.01Å; I260-W385 HydrophobicContact CG2-CE3 3.98Å; I260-W385 HydrophobicContact CG2-CZ3 3.75Å; I260-V386 PolarHBondContact O-N 3.1Å; I260-Q388 HydrophobicContact CD1-CG 4.49Å
261A97.7Very high93.8Very high0 Ų053 Ų530%025%0.248CC..EExtended strand (participates in β ladder)trans-148.8151.5175.400000110.1W353 I354 F383 I384 W385A261-W353 CarbonylContact O-C 3.55Å; A261-W353 VanDerWaalsContact O-CA 3.31Å; A261-W353 WeakPolarHBondContact O-CA 3.17Å; A261-I354 HydrophobicContact CB-CB 4.23Å; A261-I354 HydrophobicContact CB-CD1 4.05Å; A261-I354 HydrophobicContact CB-CG1 4.25Å; A261-I354 PolarHBondContact N-O 3.1Å; A261-I354 PolarHBondContact O-N 3.17Å; A261-F383 HydrophobicContact CB-CB 4.46Å; A261-F383 HydrophobicContact CB-CD1 3.64Å; A261-F383 HydrophobicContact CB-CE1 4.09Å; A261-F383 HydrophobicContact CB-CG 4.23Å; A261-I384 CarbonylContact C-O 3.53Å; A261-I384 WeakPolarHBondContact CA-O 3.35Å; A261-W385 HydrophobicContact CB-CD2 4.07Å; A261-W385 HydrophobicContact CB-CE3 3.89Å; A261-W385 HydrophobicContact CB-CH2 4.32Å; A261-W385 HydrophobicContact CB-CZ3 4.04Å
262R97.7Very high93.8Very high11 Ų1148.6 Ų48.64%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-144.4161.9174.461.1165.2174.9-74.22.6111.8E259 E268 L271 L352 W353 I384 V386E259-R262 WeakPolarHBondContact OE1-CB 3.45Å; E259-R262 WeakPolarHBondContact OE1-CD 3.36Å; E259-R262 WeakPolarHBondContact OE1-CG 3.45Å; E259-R262 IonicContact OE1-CZ 3.43Å; E259-R262 IonicContact OE1-NE 2.63Å; E259-R262 IonicContact OE1-NH1 3Å; E259-R262 PolarHBondContact OE1-NH1 2.9Å; R262-E268 WeakPolarHBondContact CD-OE2 3.36Å; R262-E268 IonicContact NE-OE2 3.33Å; R262-E268 PolarHBondContact NH2-O 3.28Å; R262-L271 PolarHBondContact NH2-O 3.06Å; R262-L352 CarbonylContact C-O 3.49Å; R262-L352 WeakPolarHBondContact CA-O 3.42Å; R262-W353 HydrophobicContact CB-CG 4.29Å; R262-I384 PolarHBondContact N-O 3.03Å; R262-I384 PolarHBondContact O-N 3.41Å; R262-V386 HydrophobicContact CG-CG2 4.33Å
263F97.1Very high93.7Very high3 Ų347.3 Ų47.31%0.01323%0.227CC..  trans-74.5165.2159.3-73.65.2000110.4H265 R349 L352 F378 D379 K382 F383F263-H265 PolarHBondContact O-CE1 2.94Å; F263-H265 PolarHBondContact O-N 2.85Å; F263-H265 VanDerWaalsContact O-N 3.07Å; F263-H265 PolarHBondContact O-ND1 2.95Å; F263-H265 VanDerWaalsContact O-ND1 3.13Å; F263-H265 PolarHBondContact O-NE2 3.32Å; F263-R349 WeakPolarHBondContact CE2-O 3.44Å; F263-L352 HydrophobicContact CD1-CB 4.09Å; F263-L352 HydrophobicContact CD2-CB 3.98Å; F263-L352 HydrophobicContact CE1-CB 4.12Å; F263-L352 HydrophobicContact CE1-CD2 3.95Å; F263-L352 HydrophobicContact CE2-CB 4.02Å; F263-L352 HydrophobicContact CE2-CD2 4.42Å; F263-L352 HydrophobicContact CG-CB 4.02Å; F263-L352 HydrophobicContact CZ-CB 4.08Å; F263-L352 HydrophobicContact CZ-CD2 3.8Å; F263-L352 PolarHBondContact N-O 3.37Å; F263-F378 HydrophobicContact CE2-CD1 4.12Å; F263-F378 HydrophobicContact CZ-CB 4.19Å; F263-F378 HydrophobicContact CZ-CD1 4.47Å; F263-D379 WeakPolarHBondContact CZ-O 3.47Å; F263-K382 HydrophobicContact CD1-CB 3.86Å; F263-K382 HydrophobicContact CD2-CB 4.31Å; F263-K382 HydrophobicContact CD2-CD 4.39Å; F263-K382 HydrophobicContact CE1-CB 3.83Å; F263-K382 HydrophobicContact CE2-CB 4.28Å; F263-K382 HydrophobicContact CE2-CD 4.25Å; F263-K382 HydrophobicContact CG-CB 4.12Å; F263-K382 HydrophobicContact CZ-CB 4.05Å; F263-F383 AromaticContact CD1-CD1 3.75Å; F263-F383 HydrophobicContact CD1-CD1 3.75Å; F263-F383 HydrophobicContact CD1-CE1 4.02Å; F263-F383 HydrophobicContact CD1-CG 4.12Å; F263-F383 AromaticContact CE1-CD1 3.82Å; F263-F383 HydrophobicContact CE1-CD1 3.82Å; F263-F383 AromaticContact CE1-CD2 3.96Å; F263-F383 HydrophobicContact CE1-CD2 3.96Å; F263-F383 AromaticContact CE1-CE1 3.95Å; F263-F383 HydrophobicContact CE1-CE1 3.95Å; F263-F383 HydrophobicContact CE1-CE2 4.08Å; F263-F383 AromaticContact CE1-CG 3.84Å; F263-F383 HydrophobicContact CE1-CG 3.84Å; F263-F383 HydrophobicContact CE1-CZ 4.1Å
264D90.9Very high93.7Very high78 Ų7847.3 Ų47.342%0.41723%0.227SC..  trans-71.7104.9-178.5-178.321.6000111.5R269 I384D264-R269 VanDerWaalsContact CG-NE 3.35Å; D264-R269 WeakPolarHBondContact OD1-CG 3.35Å; D264-R269 IonicContact OD1-CZ 2.85Å; D264-R269 IonicContact OD1-NE 3.43Å; D264-R269 PolarHBondContact OD1-NE 2.94Å; D264-R269 IonicContact OD1-NH2 2.72Å; D264-R269 IonicContact OD2-CZ 3.24Å; D264-R269 VanDerWaalsContact OD2-CZ 3.23Å; D264-R269 IonicContact OD2-NE 3.93Å; D264-R269 PolarHBondContact OD2-NE 3.09Å; D264-R269 VanDerWaalsContact OD2-NE 3.08Å; D264-R269 IonicContact OD2-NH2 3.75Å; D264-R269 PolarHBondContact OD2-NH2 3.23Å; D264-I384 HydrophobicContact CB-CD1 3.81Å
265H85.1Confident93.7Very high3 Ų346.4 Ų46.41%0.01422%0.223CC..  trans-109.1129.7175.8-42.9121.1000110.9F263 F267 E268 R269 Y351 W353F263-H265 PolarHBondContact O-CE1 2.94Å; F263-H265 PolarHBondContact O-N 2.85Å; F263-H265 VanDerWaalsContact O-N 3.07Å; F263-H265 PolarHBondContact O-ND1 2.95Å; F263-H265 VanDerWaalsContact O-ND1 3.13Å; F263-H265 PolarHBondContact O-NE2 3.32Å; H265-F267 HydrophobicContact CB-CD1 4.11Å; H265-F267 HydrophobicContact CB-CD2 4.34Å; H265-F267 HydrophobicContact CB-CE1 3.66Å; H265-F267 HydrophobicContact CB-CE2 3.88Å; H265-F267 HydrophobicContact CB-CG 4.42Å; H265-F267 HydrophobicContact CB-CZ 3.51Å; H265-F267 AromaticContact CG-CZ 3.85Å; H265-F267 PolarHBondContact O-N 3.11Å; H265-E268 IonicContact CE1-OE2 3.86Å; H265-E268 IonicContact CG-OE2 2.8Å; H265-E268 IonicContact ND1-OE2 3.51Å; H265-E268 PolarHBondContact ND1-OE2 2.64Å; H265-E268 PolarHBondContact O-N 3.44Å; H265-R269 PolarHBondContact O-N 3.4Å; H265-Y351 AromaticContact CD2-CD1 3.28Å; H265-Y351 WeakPolarHBondContact CD2-CD1 3.45Å; H265-Y351 AromaticContact CD2-CE1 3.66Å; H265-Y351 AromaticContact NE2-CD1 3.56Å; H265-W353 AromaticContact CE1-CD2 3.88Å; H265-W353 AromaticContact CE1-CE2 3.15Å; H265-W353 AromaticContact CE1-CH2 3.89Å; H265-W353 AromaticContact CE1-CZ2 3.15Å; H265-W353 WeakPolarHBondContact CE1-CZ2 3.28Å; H265-W353 AromaticContact CE1-NE1 3.37Å; H265-W353 PolarHBondContact CE1-NE1 2.96Å; H265-W353 AromaticContact ND1-CE2 3.54Å; H265-W353 AromaticContact ND1-CZ2 3.4Å; H265-W353 WeakPolarHBondContact ND1-CZ2 3.28Å; H265-W353 AromaticContact ND1-NE1 3.48Å; H265-W353 PolarHBondContact ND1-NE1 2.85Å; H265-W353 AromaticContact NE2-CH2 3.97Å; H265-W353 AromaticContact NE2-CZ2 3.66Å
266R81.2Confident93.7Very high217 Ų21745.2 Ų45.282%0.81921%0.211SC*.THydrogen-bonded Turntrans-49.9-33.3179.6-82.3-178.4146.2-168.4-4.8114.6
267F81.4Confident93.7Very high123 Ų12344.5 Ų44.554%0.53921%0.207SC..THydrogen-bonded Turntrans-84.5-10.3-176.152.5-96.2000114.3H265 Y351 W353H265-F267 HydrophobicContact CB-CD1 4.11Å; H265-F267 HydrophobicContact CB-CD2 4.34Å; H265-F267 HydrophobicContact CB-CE1 3.66Å; H265-F267 HydrophobicContact CB-CE2 3.88Å; H265-F267 HydrophobicContact CB-CG 4.42Å; H265-F267 HydrophobicContact CB-CZ 3.51Å; H265-F267 AromaticContact CG-CZ 3.85Å; H265-F267 PolarHBondContact O-N 3.11Å; F267-Y351 HydrophobicContact CE1-CE1 4.12Å; F267-Y351 HydrophobicContact CZ-CE1 4.44Å; F267-W353 HydrophobicContact CE2-CZ2 4.4Å; F267-W353 HydrophobicContact CZ-CZ2 4.07Å
268E85.1Confident93.7Very high9 Ų945 Ų454%0.04221%0.208CC..THydrogen-bonded Turntrans-116.10.2178.9-78160.4169.500112.8R262 H265 G270 L271 W353R262-E268 WeakPolarHBondContact CD-OE2 3.36Å; R262-E268 IonicContact NE-OE2 3.33Å; R262-E268 PolarHBondContact NH2-O 3.28Å; H265-E268 IonicContact CE1-OE2 3.86Å; H265-E268 IonicContact CG-OE2 2.8Å; H265-E268 IonicContact ND1-OE2 3.51Å; H265-E268 PolarHBondContact ND1-OE2 2.64Å; H265-E268 PolarHBondContact O-N 3.44Å; E268-G270 PolarHBondContact O-N 2.91Å; E268-L271 WeakPolarHBondContact O-CB 3.38Å; E268-L271 PolarHBondContact O-N 2.63Å; E268-L271 VanDerWaalsContact O-N 3.11Å; E268-W353 PolarHBondContact OE2-NE1 3.04Å; E268-W353 VanDerWaalsContact OE2-NE1 3.11Å
269R88.8Confident93.6Very high139 Ų13944.1 Ų44.153%0.52521%0.212SC..THydrogen-bonded Turntrans-58.6132.4-179.6-80.2179.4-175.2173.9-1.7111.5D264 H265 L271D264-R269 VanDerWaalsContact CG-NE 3.35Å; D264-R269 WeakPolarHBondContact OD1-CG 3.35Å; D264-R269 IonicContact OD1-CZ 2.85Å; D264-R269 IonicContact OD1-NE 3.43Å; D264-R269 PolarHBondContact OD1-NE 2.94Å; D264-R269 IonicContact OD1-NH2 2.72Å; D264-R269 IonicContact OD2-CZ 3.24Å; D264-R269 VanDerWaalsContact OD2-CZ 3.23Å; D264-R269 IonicContact OD2-NE 3.93Å; D264-R269 PolarHBondContact OD2-NE 3.09Å; D264-R269 VanDerWaalsContact OD2-NE 3.08Å; D264-R269 IonicContact OD2-NH2 3.75Å; D264-R269 PolarHBondContact OD2-NH2 3.23Å; H265-R269 PolarHBondContact O-N 3.4Å; R269-L271 PolarHBondContact O-N 3.14Å
270G90.5Very high93.4Very high41 Ų4148.5 Ų48.542%0.42324%0.235SC..THydrogen-bonded Turntrans72.712.5-179.200000114.4E268 P295E268-G270 PolarHBondContact O-N 2.91Å; G270-P295 VanDerWaalsContact O-CD 3.27Å; G270-P295 WeakPolarHBondContact O-CD 3.32Å
271L93.7Very high93.2Very high17 Ų1750.4 Ų50.49%0.08924%0.241CC..  trans-98134.7173.6-64.4-176.6000112.7R262 E268 R269 V274 Y293 N294 Q301R262-L271 PolarHBondContact NH2-O 3.06Å; E268-L271 WeakPolarHBondContact O-CB 3.38Å; E268-L271 PolarHBondContact O-N 2.63Å; E268-L271 VanDerWaalsContact O-N 3.11Å; R269-L271 PolarHBondContact O-N 3.14Å; L271-V274 HydrophobicContact CB-CG2 3.71Å; L271-Y293 WeakPolarHBondContact CA-O 3.49Å; L271-N294 HydrophobicContact CD2-CB 3.78Å; L271-Q301 HydrophobicContact CD2-CB 4.29Å; L271-Q301 HydrophobicContact CD2-CG 4.24Å
272E95.6Very high92.6Very high61 Ų6159 Ų5929%0.28529%0.287SS..EExtended strand (participates in β ladder)trans-116.2170172.6-59-177171.500110.5V274 G292 Y293 Q387E272-V274 PolarHBondContact O-N 3.19Å; E272-V274 VanDerWaalsContact O-N 3.12Å; E272-G292 CarbonylContact O-C 3.52Å; E272-G292 WeakPolarHBondContact O-CA 3.44Å; E272-Y293 PolarHBondContact N-O 3.41Å; E272-Y293 PolarHBondContact O-N 2.94Å; E272-Q387 HydrophobicContact CB-CB 4.15Å; E272-Q387 HydrophobicContact CG-CB 3.95Å; E272-Q387 HydrophobicContact CG-CG 4.41Å
273K96.6Very high92.1Very high80 Ų8061.6 Ų61.635%0.34830%0.302SS..EExtended strand (participates in β ladder)trans53.435.9176.7-53.8172.8-173.3168.90111.9W300 Q387 P389K273-W300 HydrophobicContact CB-CH2 4.11Å; K273-W300 HydrophobicContact CB-CZ3 4.39Å; K273-W300 HydrophobicContact CD-CH2 4.3Å; K273-Q387 PolarHBondContact N-O 2.84Å; K273-P389 HydrophobicContact CG-CG 4.44Å
274V97.7Very high91.6Very high3 Ų364.1 Ų64.12%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-75.7133.1-170.4-175.50000109.5E259 L271 E272 K291 V386 Q388E259-V274 HydrophobicContact CB-CB 4.01Å; E259-V274 HydrophobicContact CB-CG1 4.09Å; E259-V274 PolarHBondContact N-O 2.98Å; E259-V274 WeakPolarHBondContact OE2-CG1 3.48Å; L271-V274 HydrophobicContact CB-CG2 3.71Å; E272-V274 PolarHBondContact O-N 3.19Å; E272-V274 VanDerWaalsContact O-N 3.12Å; V274-K291 CarbonylContact C-O 3.39Å; V274-K291 VanDerWaalsContact CA-O 3.28Å; V274-K291 WeakPolarHBondContact CA-O 3.22Å; V274-V386 HydrophobicContact CB-CG1 4.28Å; V274-V386 HydrophobicContact CG2-CG1 4.06Å; V274-Q388 PolarHBondContact O-NE2 2.96Å
275T98.2Very high91.8Very high21 Ų2160.4 Ų60.413%0.12931%0.309CS..EExtended strand (participates in β ladder)trans-134.7149.5178.353.60000110.6T256 W257 Y258 N290 K291T256-T275 HydrophobicContact CG2-CG2 4.04Å; W257-T275 CarbonylContact O-C 3.48Å; W257-T275 WeakPolarHBondContact O-CA 3.07Å; W257-T275 WeakPolarHBondContact O-CB 3.14Å; Y258-T275 HydrophobicContact CD1-CG2 3.68Å; Y258-T275 HydrophobicContact CE1-CG2 3.88Å; Y258-T275 HydrophobicContact CG-CG2 4.27Å; T275-N290 CarbonylContact O-C 3.52Å; T275-N290 VanDerWaalsContact O-CA 3.27Å; T275-N290 WeakPolarHBondContact O-CA 3.1Å; T275-K291 PolarHBondContact N-O 2.88Å; T275-K291 PolarHBondContact O-N 2.9Å; T275-K291 PolarHBondContact OG1-O 2.93Å
276A98.2Very high92.2Very high4 Ų460.5 Ų60.53%0.03331%0.309CS..EExtended strand (participates in β ladder)trans-122120.3171.200000109.5W257 Y278 I289 N290W257-A276 PolarHBondContact N-O 3.26Å; W257-A276 PolarHBondContact O-N 3.43Å; A276-Y278 HydrophobicContact CB-CE2 3.77Å; A276-Y278 WeakPolarHBondContact CB-OH 3.42Å; A276-I289 CarbonylContact C-O 3.54Å; A276-I289 WeakPolarHBondContact CA-O 3.31Å; A276-N290 WeakPolarHBondContact CB-OD1 3.27Å
277T98.4Very high93Very high43 Ų4352.4 Ų52.426%0.26428%0.282SS..EExtended strand (participates in β ladder)trans-111125.3-180-57.70000110.6G255 T256 I289G255-T277 WeakPolarHBondContact O-CA 3.44Å; T256-T277 PolarHBondContact OG1-OG1 3.25Å; T277-I289 PolarHBondContact N-O 3.11Å; T277-I289 PolarHBondContact O-N 2.91Å
278Y98.3Very high93.7Very high10 Ų1046.7 Ų46.74%0.03926%0.258CS..EExtended strand (participates in β ladder)trans-108.4134.1-177.5-55.6-89.9000111.6Y253 G255 W257 A276 N287 V288 Y330Y253-Y278 HydrophobicContact CD1-CD2 4.24Å; Y253-Y278 HydrophobicContact CD1-CG 4.4Å; Y253-Y278 HydrophobicContact CE1-CD2 4.11Å; Y253-Y278 HydrophobicContact CE1-CE1 4.46Å; Y253-Y278 AromaticContact CE1-CE2 3.93Å; Y253-Y278 HydrophobicContact CE1-CE2 3.93Å; Y253-Y278 HydrophobicContact CE1-CG 4.5Å; G255-Y278 PolarHBondContact N-O 3.19Å; G255-Y278 PolarHBondContact O-N 2.7Å; W257-Y278 AromaticContact CD1-CD2 3.62Å; W257-Y278 AromaticContact CD1-CE2 3.61Å; W257-Y278 HydrophobicContact CG-CE2 4.25Å; A276-Y278 HydrophobicContact CB-CE2 3.77Å; A276-Y278 WeakPolarHBondContact CB-OH 3.42Å; Y278-N287 WeakPolarHBondContact CA-O 3.34Å; Y278-V288 HydrophobicContact CD1-CB 4.43Å; Y278-V288 HydrophobicContact CD1-CG1 4.21Å; Y278-V288 HydrophobicContact CD1-CG2 3.87Å; Y278-V288 HydrophobicContact CE1-CB 4.28Å; Y278-V288 HydrophobicContact CE1-CG1 3.66Å; Y278-V288 HydrophobicContact CE1-CG2 3.81Å; Y278-Y330 WeakPolarHBondContact OH-CE2 3.27Å; Y278-Y330 PolarHBondContact OH-OH 3.16Å
279S96.8Very high94.2Very high47 Ų4748.8 Ų48.833%0.32927%0.269SS..EExtended strand (participates in β ladder)trans-136.7151.9172.263.60000111.6L286 N287S279-L286 CarbonylContact O-C 3.54Å; S279-L286 VanDerWaalsContact O-CA 3.26Å; S279-L286 WeakPolarHBondContact O-CA 3.49Å; S279-N287 PolarHBondContact N-O 3.45Å; S279-N287 PolarHBondContact O-N 2.98Å; S279-N287 WeakPolarHBondContact OG-CB 3.4Å; S279-N287 PolarHBondContact OG-ND2 3.03Å
280L95Very high94.5Very high96 Ų9643.3 Ų43.350%0.50325%0.25SC..EExtended strand (participates in β ladder)trans-67.7148.8177.5-75.5165.3000111.2L254 L286L254-L280 HydrophobicContact CD1-CD1 3.76Å; L254-L280 HydrophobicContact CD1-CG 3.68Å; L254-L280 HydrophobicContact CD2-CG 4.11Å; L280-L286 HydrophobicContact CD2-CD2 3.86Å; L280-L286 HydrophobicContact CG-CD2 4.5Å
281R92.4Very high94.8Very high53 Ų5345.2 Ų45.220%0.225%0.247CC..  trans-119150.8171.9-63.4166.854.776.19.5110.1D283 G284 G285 L286 N287R281-D283 WeakPolarHBondContact CB-OD1 2.95Å; R281-D283 IonicContact CZ-OD1 2.66Å; R281-D283 IonicContact CZ-OD2 3.76Å; R281-D283 IonicContact NE-OD1 3.08Å; R281-D283 PolarHBondContact NE-OD1 3.32Å; R281-D283 IonicContact NE-OD2 2.79Å; R281-D283 PolarHBondContact NE-OD2 3.25Å; R281-D283 IonicContact NH2-OD1 3.23Å; R281-D283 IonicContact NH2-OD2 3.97Å; R281-D283 PolarHBondContact NH2-OD2 2.8Å; R281-D283 PolarHBondContact O-N 3.25Å; R281-D283 VanDerWaalsContact O-N 3.14Å; R281-G284 PolarHBondContact O-N 2.92Å; R281-G285 WeakPolarHBondContact CB-O 3.31Å; R281-G285 PolarHBondContact N-O 2.98Å; R281-L286 WeakPolarHBondContact CD-O 3.47Å; R281-N287 VanDerWaalsContact CD-N 3.35Å; R281-N287 WeakPolarHBondContact CD-OD1 3.22Å; R281-N287 HydrophobicContact CG-CB 4.33Å; R281-N287 VanDerWaalsContact CG-CG 3.42Å; R281-N287 WeakPolarHBondContact CG-ND2 3.4Å; R281-N287 VanDerWaalsContact CG-OD1 3.24Å; R281-N287 WeakPolarHBondContact CG-OD1 3.29Å; R281-N287 PolarHBondContact NH1-OD1 2.94Å
282D86Confident94.9Very high181 Ų18144.5 Ų44.597%0.96824%0.243SC*.THydrogen-bonded Turntrans-62.8-21.2178-56.3-29.6000113.4G284D282-G284 PolarHBondContact O-N 3.38Å
283D87.8Confident94.8Very high65 Ų6544.1 Ų44.135%0.34824%0.239SC..THydrogen-bonded Turntrans-84.29.3177.266.10.1000113.8R281 G285 Y308R281-D283 WeakPolarHBondContact CB-OD1 2.95Å; R281-D283 IonicContact CZ-OD1 2.66Å; R281-D283 IonicContact CZ-OD2 3.76Å; R281-D283 IonicContact NE-OD1 3.08Å; R281-D283 PolarHBondContact NE-OD1 3.32Å; R281-D283 IonicContact NE-OD2 2.79Å; R281-D283 PolarHBondContact NE-OD2 3.25Å; R281-D283 IonicContact NH2-OD1 3.23Å; R281-D283 IonicContact NH2-OD2 3.97Å; R281-D283 PolarHBondContact NH2-OD2 2.8Å; R281-D283 PolarHBondContact O-N 3.25Å; R281-D283 VanDerWaalsContact O-N 3.14Å; D283-G285 PolarHBondContact O-N 3.26Å; D283-G285 PolarHBondContact OD1-N 3.49Å; D283-G285 VanDerWaalsContact OD1-N 3.14Å; D283-Y308 PolarHBondContact OD2-OH 2.73Å
284G87Confident94.6Very high56 Ų5640.9 Ų40.958%0.57723%0.226SC*.SBendtrans77.32.1-177.900000114.3R281 D282R281-G284 PolarHBondContact O-N 2.92Å; D282-G284 PolarHBondContact O-N 3.38Å
285G93.2Very high94.4Very high0 Ų043 Ų430%024%0.24CC..  trans-87.6-174.7171.200000113.4R281 D283 A307R281-G285 WeakPolarHBondContact CB-O 3.31Å; R281-G285 PolarHBondContact N-O 2.98Å; D283-G285 PolarHBondContact O-N 3.26Å; D283-G285 PolarHBondContact OD1-N 3.49Å; D283-G285 VanDerWaalsContact OD1-N 3.14Å; G285-A307 CarbonylContact C-O 3.58Å; G285-A307 WeakPolarHBondContact CA-O 3.48Å
286L95.2Very high94Very high4 Ų449 Ų492%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-117138.7171.2-56.6177.2000110L254 S279 L280 R281 K306 A307 L318L254-L286 HydrophobicContact CD2-CD2 3.71Å; S279-L286 CarbonylContact O-C 3.54Å; S279-L286 VanDerWaalsContact O-CA 3.26Å; S279-L286 WeakPolarHBondContact O-CA 3.49Å; L280-L286 HydrophobicContact CD2-CD2 3.86Å; L280-L286 HydrophobicContact CG-CD2 4.5Å; R281-L286 WeakPolarHBondContact CD-O 3.47Å; L286-K306 CarbonylContact O-C 3.45Å; L286-K306 WeakPolarHBondContact O-CA 3.46Å; L286-A307 HydrophobicContact CB-CB 4.36Å; L286-A307 PolarHBondContact N-O 3.29Å; L286-A307 PolarHBondContact O-N 3.16Å; L286-L318 HydrophobicContact CD1-CD2 4.1Å
287N96.5Very high93.5Very high47 Ų4757 Ų5725%0.25130%0.3SS..EExtended strand (participates in β ladder)trans-75.6143.6159.7-64.6-48.2000107.9Y278 S279 R281Y278-N287 WeakPolarHBondContact CA-O 3.34Å; S279-N287 PolarHBondContact N-O 3.45Å; S279-N287 PolarHBondContact O-N 2.98Å; S279-N287 WeakPolarHBondContact OG-CB 3.4Å; S279-N287 PolarHBondContact OG-ND2 3.03Å; R281-N287 VanDerWaalsContact CD-N 3.35Å; R281-N287 WeakPolarHBondContact CD-OD1 3.22Å; R281-N287 HydrophobicContact CG-CB 4.33Å; R281-N287 VanDerWaalsContact CG-CG 3.42Å; R281-N287 WeakPolarHBondContact CG-ND2 3.4Å; R281-N287 VanDerWaalsContact CG-OD1 3.24Å; R281-N287 WeakPolarHBondContact CG-OD1 3.29Å; R281-N287 PolarHBondContact NH1-OD1 2.94Å
288V97.2Very high93.2Very high4 Ų462.6 Ų62.62%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-126.6115176.2-171.90000107.5Y278 E304 G305 A307 V320 F322Y278-V288 HydrophobicContact CD1-CB 4.43Å; Y278-V288 HydrophobicContact CD1-CG1 4.21Å; Y278-V288 HydrophobicContact CD1-CG2 3.87Å; Y278-V288 HydrophobicContact CE1-CB 4.28Å; Y278-V288 HydrophobicContact CE1-CG1 3.66Å; Y278-V288 HydrophobicContact CE1-CG2 3.81Å; V288-E304 CarbonylContact O-C 3.5Å; V288-G305 PolarHBondContact N-O 3.44Å; V288-G305 PolarHBondContact O-N 2.86Å; V288-A307 HydrophobicContact CG2-CB 3.81Å; V288-V320 HydrophobicContact CG2-CG2 4.08Å; V288-F322 HydrophobicContact CB-CE1 4.26Å; V288-F322 HydrophobicContact CB-CZ 4.25Å; V288-F322 HydrophobicContact CG1-CE1 4.11Å; V288-F322 HydrophobicContact CG1-CZ 3.85Å
289I95.4Very high92.8Very high52 Ų5266.3 Ų66.327%0.26734%0.342SS..EExtended strand (participates in β ladder)trans-111108.8177-57.7174.7000107.4A276 T277 Q302 S303 E304A276-I289 CarbonylContact C-O 3.54Å; A276-I289 WeakPolarHBondContact CA-O 3.31Å; T277-I289 PolarHBondContact N-O 3.11Å; T277-I289 PolarHBondContact O-N 2.91Å; I289-Q302 HydrophobicContact CG2-CG 3.72Å; I289-S303 WeakPolarHBondContact CA-O 3.48Å; I289-E304 HydrophobicContact CG1-CG 4.36Å
290N95.7Very high92.6Very high24 Ų2470.2 Ų70.213%0.12835%0.35CS..EExtended strand (participates in β ladder)trans-94.1132.3172.9-71.7-29.6000109.3T275 A276 Q302 S303 F322T275-N290 CarbonylContact O-C 3.52Å; T275-N290 VanDerWaalsContact O-CA 3.27Å; T275-N290 WeakPolarHBondContact O-CA 3.1Å; A276-N290 WeakPolarHBondContact CB-OD1 3.27Å; N290-Q302 CarbonylContact O-C 3.53Å; N290-Q302 VanDerWaalsContact O-CA 3.23Å; N290-Q302 WeakPolarHBondContact O-CA 3.36Å; N290-S303 PolarHBondContact N-O 3.36Å; N290-S303 PolarHBondContact O-N 3.35Å; N290-F322 VanDerWaalsContact ND2-CE1 3.3Å; N290-F322 WeakPolarHBondContact ND2-CE1 3.1Å; N290-F322 WeakPolarHBondContact ND2-CZ 3.22Å
291K95.4Very high92.3Very high82 Ų8268.5 Ų68.536%0.35734%0.339SS..EExtended strand (participates in β ladder)trans-137.3132.4179.8-178178.9179.3179.70110.4V274 T275 W300 Q301V274-K291 CarbonylContact C-O 3.39Å; V274-K291 VanDerWaalsContact CA-O 3.28Å; V274-K291 WeakPolarHBondContact CA-O 3.22Å; T275-K291 PolarHBondContact N-O 2.88Å; T275-K291 PolarHBondContact O-N 2.9Å; T275-K291 PolarHBondContact OG1-O 2.93Å; K291-W300 HydrophobicContact CD-CE3 4.1Å; K291-W300 HydrophobicContact CD-CZ3 4.35Å; K291-W300 HydrophobicContact CG-CE3 3.73Å; K291-W300 HydrophobicContact CG-CZ3 4.07Å; K291-Q301 CarbonylContact C-O 3.59Å; K291-Q301 VanDerWaalsContact CA-O 3.31Å; K291-Q301 WeakPolarHBondContact CA-O 3.35Å
292G95.5Very high92.2Very high1 Ų171.1 Ų71.11%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-147.4163.1176.600000112E272 W300 Q301E272-G292 CarbonylContact O-C 3.52Å; E272-G292 WeakPolarHBondContact O-CA 3.44Å; G292-W300 WeakPolarHBondContact O-CA 3.17Å; G292-Q301 PolarHBondContact N-O 3.19Å; G292-Q301 PolarHBondContact O-N 3.35Å
293Y94.8Very high92.2Very high54 Ų5464.9 Ų64.921%0.21232%0.324CS..EExtended strand (participates in β ladder)trans-105131.6177.2-176.2-104.6000110.2L271 E272 P295 E298 W300L271-Y293 WeakPolarHBondContact CA-O 3.49Å; E272-Y293 PolarHBondContact N-O 3.41Å; E272-Y293 PolarHBondContact O-N 2.94Å; Y293-P295 HydrophobicContact CD1-CB 4.49Å; Y293-P295 HydrophobicContact CE1-CB 4.2Å; Y293-E298 VanDerWaalsContact OH-CA 3.29Å; Y293-E298 WeakPolarHBondContact OH-CA 3.38Å; Y293-W300 AromaticContact CD2-CD1 3.98Å; Y293-W300 HydrophobicContact CD2-CD2 4.07Å; Y293-W300 AromaticContact CD2-CE2 3.94Å; Y293-W300 HydrophobicContact CD2-CG 4.13Å; Y293-W300 AromaticContact CD2-NE1 3.85Å
294N92.2Very high92.3Very high12 Ų1268 Ų686%0.06434%0.336CS..EExtended strand (participates in β ladder)trans-100.3109.8173.3-173.9-64.1000108.5L271 D296 R297 E298 M299L271-N294 HydrophobicContact CD2-CB 3.78Å; N294-D296 PolarHBondContact OD1-N 2.72Å; N294-R297 HydrophobicContact CB-CB 4.33Å; N294-R297 PolarHBondContact O-N 3.42Å; N294-R297 WeakPolarHBondContact OD1-CB 3.32Å; N294-R297 WeakPolarHBondContact OD1-CG 3.07Å; N294-R297 PolarHBondContact OD1-N 2.98Å; N294-E298 WeakPolarHBondContact O-CA 3.49Å; N294-E298 PolarHBondContact O-N 2.94Å; N294-M299 HydrophobicContact CB-CG 4.43Å; N294-M299 PolarHBondContact N-O 3Å; N294-M299 PolarHBondContact O-N 3.24Å; N294-M299 VanDerWaalsContact O-N 3.1Å
295P92.3Very high92.5Very high48 Ų4865.5 Ų65.531%0.31231%0.311SS..THydrogen-bonded Turntrans-70.2-37.2-177.227.8-32.5000112.4G270 Y293 R297 E298G270-P295 VanDerWaalsContact O-CD 3.27Å; G270-P295 WeakPolarHBondContact O-CD 3.32Å; Y293-P295 HydrophobicContact CD1-CB 4.49Å; Y293-P295 HydrophobicContact CE1-CB 4.2Å; P295-R297 PolarHBondContact O-N 2.85Å; P295-E298 PolarHBondContact O-N 3.43Å; P295-E298 VanDerWaalsContact O-N 3.14Å
296D90Very high92.5Very high145 Ų14567.9 Ų67.978%0.77532%0.321SS*.THydrogen-bonded Turntrans-62.6-27.4179.4-60-29.3000113.1N294N294-D296 PolarHBondContact OD1-N 2.72Å
297R88.7Confident92.5Very high173 Ų17367.8 Ų67.865%0.65332%0.322SS*.THydrogen-bonded Turntrans-108.70.9179.4-62.7-177.2-179.5-156.20.3113.3N294 P295 M299N294-R297 HydrophobicContact CB-CB 4.33Å; N294-R297 PolarHBondContact O-N 3.42Å; N294-R297 WeakPolarHBondContact OD1-CB 3.32Å; N294-R297 WeakPolarHBondContact OD1-CG 3.07Å; N294-R297 PolarHBondContact OD1-N 2.98Å; P295-R297 PolarHBondContact O-N 2.85Å; R297-M299 HydrophobicContact CB-CG 3.75Å; R297-M299 HydrophobicContact CB-SD 3.95Å; R297-M299 PolarHBondContact O-N 3Å; R297-M299 VanDerWaalsContact O-N 3.12Å
298E90.9Very high92.4Very high160 Ų16068 Ų6875%0.74832%0.319SS*.THydrogen-bonded Turntrans47.836.2-175.7-58.1-175.9164.100114.7Y293 N294 P295Y293-E298 VanDerWaalsContact OH-CA 3.29Å; Y293-E298 WeakPolarHBondContact OH-CA 3.38Å; N294-E298 WeakPolarHBondContact O-CA 3.49Å; N294-E298 PolarHBondContact O-N 2.94Å; P295-E298 PolarHBondContact O-N 3.43Å; P295-E298 VanDerWaalsContact O-N 3.14Å
299M91Very high92.3Very high88 Ų8869.7 Ų69.743%0.43333%0.326SS..EExtended strand (participates in β ladder)trans-135.1147.1-170.572.3-179.6-56.900114.1N294 R297 Q301N294-M299 HydrophobicContact CB-CG 4.43Å; N294-M299 PolarHBondContact N-O 3Å; N294-M299 PolarHBondContact O-N 3.24Å; N294-M299 VanDerWaalsContact O-N 3.1Å; R297-M299 HydrophobicContact CB-CG 3.75Å; R297-M299 HydrophobicContact CB-SD 3.95Å; R297-M299 PolarHBondContact O-N 3Å; R297-M299 VanDerWaalsContact O-N 3.12Å; M299-Q301 HydrophobicContact CG-CG 4.45Å
300W91.5Very high92.1Very high130 Ų13069.1 Ų69.149%0.49233%0.325SS..EExtended strand (participates in β ladder)trans-77.8135.1167.7-72.193.8000111K273 K291 G292 Y293K273-W300 HydrophobicContact CB-CH2 4.11Å; K273-W300 HydrophobicContact CB-CZ3 4.39Å; K273-W300 HydrophobicContact CD-CH2 4.3Å; K291-W300 HydrophobicContact CD-CE3 4.1Å; K291-W300 HydrophobicContact CD-CZ3 4.35Å; K291-W300 HydrophobicContact CG-CE3 3.73Å; K291-W300 HydrophobicContact CG-CZ3 4.07Å; G292-W300 WeakPolarHBondContact O-CA 3.17Å; Y293-W300 AromaticContact CD2-CD1 3.98Å; Y293-W300 HydrophobicContact CD2-CD2 4.07Å; Y293-W300 AromaticContact CD2-CE2 3.94Å; Y293-W300 HydrophobicContact CD2-CG 4.13Å; Y293-W300 AromaticContact CD2-NE1 3.85Å
301Q89.1Confident91.9Very high60 Ų6070 Ų7028%0.2834%0.341SS..EExtended strand (participates in β ladder)trans-114.4138172.6-61.4-172.5-7.800108.9L271 K291 G292 M299L271-Q301 HydrophobicContact CD2-CB 4.29Å; L271-Q301 HydrophobicContact CD2-CG 4.24Å; K291-Q301 CarbonylContact C-O 3.59Å; K291-Q301 VanDerWaalsContact CA-O 3.31Å; K291-Q301 WeakPolarHBondContact CA-O 3.35Å; G292-Q301 PolarHBondContact N-O 3.19Å; G292-Q301 PolarHBondContact O-N 3.35Å; M299-Q301 HydrophobicContact CG-CG 4.45Å
302Q90Very high91.7Very high108 Ų10868.8 Ų68.851%0.50535%0.346SS..EExtended strand (participates in β ladder)trans-135.1140.3177-177.1175-55.300109.5I289 N290 E304I289-Q302 HydrophobicContact CG2-CG 3.72Å; N290-Q302 CarbonylContact O-C 3.53Å; N290-Q302 VanDerWaalsContact O-CA 3.23Å; N290-Q302 WeakPolarHBondContact O-CA 3.36Å; Q302-E304 PolarHBondContact NE2-OE1 3.47Å
303S86.7Confident91.6Very high50 Ų5072.7 Ų72.735%0.3537%0.371SS..EExtended strand (participates in β ladder)trans-129.6144.4169.461.50000110.3I289 N290I289-S303 WeakPolarHBondContact CA-O 3.48Å; N290-S303 PolarHBondContact N-O 3.36Å; N290-S303 PolarHBondContact O-N 3.35Å
304E90Very high91.7Very high129 Ų12973.9 Ų73.960%0.60338%0.384SS*.EExtended strand (participates in β ladder)trans-115.7128179.9-62.4-176.6-167.500109.2V288 I289 Q302V288-E304 CarbonylContact O-C 3.5Å; I289-E304 HydrophobicContact CG1-CG 4.36Å; Q302-E304 PolarHBondContact NE2-OE1 3.47Å
305G91.3Very high91.9Very high5 Ų577.2 Ų77.25%0.05240%0.395CS..EExtended strand (participates in β ladder)trans-132.6173-178.700000112.1V288 S321V288-G305 PolarHBondContact N-O 3.44Å; V288-G305 PolarHBondContact O-N 2.86Å; G305-S321 CarbonylContact C-O 3.59Å; G305-S321 WeakPolarHBondContact CA-O 3.49Å
306K93.5Very high92.1Very high49 Ų4975 Ų7521%0.21338%0.381CS..EExtended strand (participates in β ladder)trans-127.8135.7176.3-59.3174.5-174.2176.30108.8H17 L286 Y308 V320 S321H17-K306 PolarHBondContact CE1-NZ 3.48Å; H17-K306 PolarHBondContact NE2-NZ 3.28Å; H17-K306 VanDerWaalsContact NE2-NZ 3.16Å; L286-K306 CarbonylContact O-C 3.45Å; L286-K306 WeakPolarHBondContact O-CA 3.46Å; K306-Y308 HydrophobicContact CB-CE2 4Å; K306-V320 CarbonylContact O-C 3.58Å; K306-V320 WeakPolarHBondContact O-CA 3.35Å; K306-S321 PolarHBondContact N-O 2.89Å; K306-S321 PolarHBondContact O-N 3.49Å
307A95.3Very high92.5Very high3 Ų368 Ų683%0.02534%0.344CS..EExtended strand (participates in β ladder)trans-117.2142.817400000111.4G285 L286 V288 L318 K319 V320G285-A307 CarbonylContact C-O 3.58Å; G285-A307 WeakPolarHBondContact CA-O 3.48Å; L286-A307 HydrophobicContact CB-CB 4.36Å; L286-A307 PolarHBondContact N-O 3.29Å; L286-A307 PolarHBondContact O-N 3.16Å; V288-A307 HydrophobicContact CG2-CB 3.81Å; A307-L318 HydrophobicContact CB-CD2 4.07Å; A307-K319 CarbonylContact C-O 3.55Å; A307-K319 WeakPolarHBondContact CA-O 3.42Å; A307-V320 HydrophobicContact CB-CB 4.27Å; A307-V320 HydrophobicContact CB-CG2 4.26Å
308Y93.9Very high92.8Very high52 Ų5260 Ų6020%0.20431%0.314CS..EExtended strand (participates in β ladder)trans-133142.9176.1-61.5-83.2000109.5D283 K306 L318 K319 Y327D283-Y308 PolarHBondContact OD2-OH 2.73Å; K306-Y308 HydrophobicContact CB-CE2 4Å; Y308-L318 CarbonylContact O-C 3.56Å; Y308-L318 WeakPolarHBondContact O-CA 3.41Å; Y308-L318 WeakPolarHBondContact O-CB 3.48Å; Y308-K319 PolarHBondContact N-O 3.25Å; Y308-K319 PolarHBondContact O-N 3.17Å; Y308-Y327 AromaticContact CD2-CE1 3.7Å; Y308-Y327 HydrophobicContact CD2-CE1 3.7Å; Y308-Y327 AromaticContact CE2-CE1 3.94Å; Y308-Y327 HydrophobicContact CE2-CE1 3.94Å; Y308-Y327 WeakPolarHBondContact CE2-OH 3.39Å
309F94.3Very high93Very high39 Ų3954.7 Ų54.717%0.17129%0.288CS..EExtended strand (participates in β ladder)trans-63.5141.4172-66.8-83.8000111F248 A250 G311 P313 A317 L318F248-F309 AromaticContact CD1-CE1 3.9Å; F248-F309 HydrophobicContact CD1-CE1 3.9Å; F248-F309 HydrophobicContact CD1-CZ 4.16Å; F248-F309 AromaticContact CE1-CE1 3.94Å; F248-F309 HydrophobicContact CE1-CE1 3.94Å; F248-F309 AromaticContact CE1-CZ 3.93Å; F248-F309 HydrophobicContact CE1-CZ 3.93Å; A250-F309 HydrophobicContact CB-CE2 4.33Å; A250-F309 HydrophobicContact CB-CZ 3.87Å; F309-G311 VanDerWaalsContact C-N 3.35Å; F309-P313 HydrophobicContact CD2-CB 4.39Å; F309-P313 HydrophobicContact CE2-CB 4.45Å; F309-A317 WeakPolarHBondContact CA-O 3.25Å; F309-L318 HydrophobicContact CD1-CD1 4.28Å; F309-L318 HydrophobicContact CD1-CD2 4.13Å; F309-L318 HydrophobicContact CD1-CG 3.83Å; F309-L318 HydrophobicContact CE1-CD1 4.04Å; F309-L318 HydrophobicContact CE1-CD2 3.94Å; F309-L318 HydrophobicContact CE1-CG 3.92Å; F309-L318 HydrophobicContact CE2-CD2 4.32Å; F309-L318 HydrophobicContact CG-CD2 4.41Å; F309-L318 HydrophobicContact CG-CG 4.36Å; F309-L318 HydrophobicContact CZ-CD2 4.02Å
310T92Very high93.1Very high39 Ų3951.3 Ų51.324%0.23927%0.272CS..SBendtrans-95.17.1175.156.40000112.8A317 K319T310-A317 PolarHBondContact N-O 3.5Å; T310-A317 PolarHBondContact OG1-O 2.69Å; T310-K319 HydrophobicContact CG2-CB 3.7Å; T310-K319 HydrophobicContact CG2-CD 4.11Å; T310-K319 HydrophobicContact CG2-CG 3.93Å
311G90.7Very high93Very high44 Ų4445.7 Ų45.745%0.45425%0.253SS..SBendtrans-166.2-147.6177.600000110.9F309F309-G311 VanDerWaalsContact C-N 3.35Å
312A92.9Very high92.8Very high56 Ų5646.4 Ų46.446%0.46326%0.255SS..  trans-58.4138.9176.300000111.5T314 R315A312-T314 PolarHBondContact O-N 3.14Å; A312-T314 VanDerWaalsContact O-N 3.07Å; A312-R315 WeakPolarHBondContact O-CB 3.34Å; A312-R315 PolarHBondContact O-N 3.41Å
313P93.3Very high92.1Very high83 Ų8348.1 Ų48.154%0.53926%0.261SS..THydrogen-bonded Turntrans-61.2-18.1-179.6-25.434.7000115.2F309 R315F309-P313 HydrophobicContact CD2-CB 4.39Å; F309-P313 HydrophobicContact CE2-CB 4.45Å; P313-R315 VanDerWaalsContact C-N 3.26Å
314T96.1Very high90.9Very high79 Ų7948.6 Ų48.649%0.48527%0.274SS..THydrogen-bonded Turntrans-80.1-5.317553.70000113.5N246 N247 F248 A312N246-T314 CarbonylContact C-O 3.39Å; N246-T314 WeakPolarHBondContact CA-O 3.49Å; N247-T314 PolarHBondContact N-O 2.63Å; F248-T314 WeakPolarHBondContact CB-O 3.28Å; F248-T314 PolarHBondContact N-O 3.36Å; A312-T314 PolarHBondContact O-N 3.14Å; A312-T314 VanDerWaalsContact O-N 3.07Å
315R96.6Very high89.7Confident82 Ų8246.2 Ų46.231%0.30927%0.269SS..BIsolated β-bridgetrans-107.7118.9175.2-177.2176.5176.8-93.5-0.2108.4V244 A312 P313 A317V244-R315 HydrophobicContact CG2-CG 3.53Å; A312-R315 WeakPolarHBondContact O-CB 3.34Å; A312-R315 PolarHBondContact O-N 3.41Å; P313-R315 VanDerWaalsContact C-N 3.26Å; R315-A317 HydrophobicContact CG-CB 4.45Å; R315-A317 PolarHBondContact O-N 3.24Å
316A97.2Very high88.9Confident0 Ų050.8 Ų50.80%029%0.288CS..  trans-76.347-173.400000113.9V245 F248 V332V245-A316 HydrophobicContact CB-CB 4.03Å; V245-A316 WeakPolarHBondContact O-CB 3.45Å; V245-A316 PolarHBondContact O-N 2.78Å; F248-A316 HydrophobicContact CB-CB 3.87Å; F248-A316 HydrophobicContact CD1-CB 4.19Å; F248-A316 HydrophobicContact CD2-CB 3.6Å; F248-A316 HydrophobicContact CE2-CB 4.12Å; F248-A316 HydrophobicContact CG-CB 3.62Å; A316-V332 HydrophobicContact CB-CB 3.64Å; A316-V332 HydrophobicContact CB-CG2 3.93Å; A316-V332 PolarHBondContact O-N 2.86Å
317A96.7Very high88.5Confident0 Ų052.8 Ų52.80%030%0.295CS..EExtended strand (participates in β ladder)trans-111.7118.4172.800000109.1P238 V244 F309 T310 R315P238-A317 HydrophobicContact CG-CB 4.15Å; V244-A317 HydrophobicContact CG1-CB 4.41Å; V244-A317 HydrophobicContact CG2-CB 4.4Å; F309-A317 WeakPolarHBondContact CA-O 3.25Å; T310-A317 PolarHBondContact N-O 3.5Å; T310-A317 PolarHBondContact OG1-O 2.69Å; R315-A317 HydrophobicContact CG-CB 4.45Å; R315-A317 PolarHBondContact O-N 3.24Å
318L96.4Very high88.1Confident5 Ų554.1 Ų54.13%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-127.4165.9-176.5-59.394.3000110.2L286 A307 Y308 F309 Y330L286-L318 HydrophobicContact CD1-CD2 4.1Å; A307-L318 HydrophobicContact CB-CD2 4.07Å; Y308-L318 CarbonylContact O-C 3.56Å; Y308-L318 WeakPolarHBondContact O-CA 3.41Å; Y308-L318 WeakPolarHBondContact O-CB 3.48Å; F309-L318 HydrophobicContact CD1-CD1 4.28Å; F309-L318 HydrophobicContact CD1-CD2 4.13Å; F309-L318 HydrophobicContact CD1-CG 3.83Å; F309-L318 HydrophobicContact CE1-CD1 4.04Å; F309-L318 HydrophobicContact CE1-CD2 3.94Å; F309-L318 HydrophobicContact CE1-CG 3.92Å; F309-L318 HydrophobicContact CE2-CD2 4.32Å; F309-L318 HydrophobicContact CG-CD2 4.41Å; F309-L318 HydrophobicContact CG-CG 4.36Å; F309-L318 HydrophobicContact CZ-CD2 4.02Å; L318-Y330 CarbonylContact C-O 3.59Å; L318-Y330 WeakPolarHBondContact CA-O 3.44Å; L318-Y330 HydrophobicContact CB-CD1 4.41Å; L318-Y330 WeakPolarHBondContact CB-O 3.35Å; L318-Y330 HydrophobicContact CD1-CD1 4.08Å; L318-Y330 PolarHBondContact N-O 3.28Å; L318-Y330 PolarHBondContact O-N 3.24Å
319K93.9Very high88.1Confident48 Ų4851.9 Ų51.921%0.20930%0.302CS..EExtended strand (participates in β ladder)trans-121.3132.2167.667.3178.8173.4-173.60108.3S235 P236 A307 Y308 T310 Y327 G328S235-K319 PolarHBondContact OG-NZ 2.79Å; P236-K319 HydrophobicContact CG-CB 3.53Å; A307-K319 CarbonylContact C-O 3.55Å; A307-K319 WeakPolarHBondContact CA-O 3.42Å; Y308-K319 PolarHBondContact N-O 3.25Å; Y308-K319 PolarHBondContact O-N 3.17Å; T310-K319 HydrophobicContact CG2-CB 3.7Å; T310-K319 HydrophobicContact CG2-CD 4.11Å; T310-K319 HydrophobicContact CG2-CG 3.93Å; K319-Y327 HydrophobicContact CB-CD1 4.12Å; K319-Y327 HydrophobicContact CB-CG 4.33Å; K319-Y327 HydrophobicContact CD-CD1 4.09Å; K319-Y327 HydrophobicContact CD-CG 4.05Å; K319-Y327 HydrophobicContact CG-CD1 3.74Å; K319-Y327 HydrophobicContact CG-CE1 4.4Å; K319-Y327 HydrophobicContact CG-CG 4.13Å; K319-G328 CarbonylContact C-O 3.48Å; K319-G328 VanDerWaalsContact CA-O 3.23Å; K319-G328 WeakPolarHBondContact CA-O 3.38Å
320V93.1Very high88.2Confident17 Ų1751.3 Ų51.310%0.10330%0.299CS..EExtended strand (participates in β ladder)trans-122.2141.2-175.867.20000111.5V288 K306 A307 F322 Y327 G328V288-V320 HydrophobicContact CG2-CG2 4.08Å; K306-V320 CarbonylContact O-C 3.58Å; K306-V320 WeakPolarHBondContact O-CA 3.35Å; A307-V320 HydrophobicContact CB-CB 4.27Å; A307-V320 HydrophobicContact CB-CG2 4.26Å; V320-F322 HydrophobicContact CG1-CE2 4.24Å; V320-F322 HydrophobicContact CG2-CD2 4.32Å; V320-F322 HydrophobicContact CG2-CE2 3.6Å; V320-F322 HydrophobicContact CG2-CZ 3.82Å; V320-Y327 CarbonylContact O-C 3.47Å; V320-Y327 VanDerWaalsContact O-CA 3.27Å; V320-Y327 WeakPolarHBondContact O-CA 3.47Å; V320-G328 PolarHBondContact N-O 3.33Å; V320-G328 PolarHBondContact O-N 3.19Å
321S89.5Confident88.5Confident12 Ų1249.4 Ų49.48%0.08429%0.287CS..EExtended strand (participates in β ladder)trans-135.4125.5177.9165.50000110.4G305 K306 G324 F326 Y327G305-S321 CarbonylContact C-O 3.59Å; G305-S321 WeakPolarHBondContact CA-O 3.49Å; K306-S321 PolarHBondContact N-O 2.89Å; K306-S321 PolarHBondContact O-N 3.49Å; S321-G324 PolarHBondContact OG-N 3.3Å; S321-F326 WeakPolarHBondContact CB-O 3.41Å; S321-F326 PolarHBondContact OG-O 3.29Å; S321-Y327 VanDerWaalsContact CB-CE1 3.49Å
322F84.9Confident88.8Confident74 Ų7447.3 Ų47.333%0.32527%0.266SS..SBendtrans-102.3-17.7172-64.3-84.1000112.9V288 N290 V320V288-F322 HydrophobicContact CB-CE1 4.26Å; V288-F322 HydrophobicContact CB-CZ 4.25Å; V288-F322 HydrophobicContact CG1-CE1 4.11Å; V288-F322 HydrophobicContact CG1-CZ 3.85Å; N290-F322 VanDerWaalsContact ND2-CE1 3.3Å; N290-F322 WeakPolarHBondContact ND2-CE1 3.1Å; N290-F322 WeakPolarHBondContact ND2-CZ 3.22Å; V320-F322 HydrophobicContact CG1-CE2 4.24Å; V320-F322 HydrophobicContact CG2-CD2 4.32Å; V320-F322 HydrophobicContact CG2-CE2 3.6Å; V320-F322 HydrophobicContact CG2-CZ 3.82Å
323F75.8Confident89.1Confident145 Ų14545.2 Ų45.264%0.63625%0.246SC*.SBendtrans-141.5102.7174.360.6-81000106.8F326F323-F326 HydrophobicContact CD2-CD2 4.31Å; F323-F326 HydrophobicContact CE2-CB 4.31Å; F323-F326 AromaticContact CE2-CD2 3.82Å; F323-F326 HydrophobicContact CE2-CD2 3.82Å; F323-F326 HydrophobicContact CE2-CG 4.47Å
324G61.2Low89.3Confident59 Ų5942 Ų4261%0.60823%0.227SC*.THydrogen-bonded Turntrans-58155.8-179.700000111.4S321S321-G324 PolarHBondContact OG-N 3.3Å
325P66.4Low89.4Confident79 Ų7939.8 Ų39.851%0.51321%0.212SC..THydrogen-bonded Turncis-97.417.92.338.1-35.9000114.8
326F74.2Confident89.4Confident102 Ų10237.3 Ų37.345%0.44721%0.205SC..  trans-93.4130.3-173.7-58.6-76.7000112.1F228 S321 F323F228-F326 HydrophobicContact CD1-CE1 4.04Å; F228-F326 HydrophobicContact CD1-CZ 4.17Å; F228-F326 HydrophobicContact CE1-CE1 4.07Å; F228-F326 HydrophobicContact CE1-CZ 4.06Å; S321-F326 WeakPolarHBondContact CB-O 3.41Å; S321-F326 PolarHBondContact OG-O 3.29Å; F323-F326 HydrophobicContact CD2-CD2 4.31Å; F323-F326 HydrophobicContact CE2-CB 4.31Å; F323-F326 AromaticContact CE2-CD2 3.82Å; F323-F326 HydrophobicContact CE2-CD2 3.82Å; F323-F326 HydrophobicContact CE2-CG 4.47Å
327Y84.1Confident89.3Confident91 Ų9147.9 Ų47.936%0.35725%0.245SC..  trans-111.4129.5175.3-68.5-95.2000110.8Y308 K319 V320 S321Y308-Y327 AromaticContact CD2-CE1 3.7Å; Y308-Y327 HydrophobicContact CD2-CE1 3.7Å; Y308-Y327 AromaticContact CE2-CE1 3.94Å; Y308-Y327 HydrophobicContact CE2-CE1 3.94Å; Y308-Y327 WeakPolarHBondContact CE2-OH 3.39Å; K319-Y327 HydrophobicContact CB-CD1 4.12Å; K319-Y327 HydrophobicContact CB-CG 4.33Å; K319-Y327 HydrophobicContact CD-CD1 4.09Å; K319-Y327 HydrophobicContact CD-CG 4.05Å; K319-Y327 HydrophobicContact CG-CD1 3.74Å; K319-Y327 HydrophobicContact CG-CE1 4.4Å; K319-Y327 HydrophobicContact CG-CG 4.13Å; V320-Y327 CarbonylContact O-C 3.47Å; V320-Y327 VanDerWaalsContact O-CA 3.27Å; V320-Y327 WeakPolarHBondContact O-CA 3.47Å; S321-Y327 VanDerWaalsContact CB-CE1 3.49Å
328G87.9Confident89.3Confident31 Ų3153.8 Ų53.832%0.3227%0.272SS..EExtended strand (participates in β ladder)trans-88.8157.4164.400000111.1K319 V320K319-G328 CarbonylContact C-O 3.48Å; K319-G328 VanDerWaalsContact CA-O 3.23Å; K319-G328 WeakPolarHBondContact CA-O 3.38Å; V320-G328 PolarHBondContact N-O 3.33Å; V320-G328 PolarHBondContact O-N 3.19Å
329G92.6Very high89.4Confident5 Ų554.3 Ų54.35%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-68.3143.6169.100000111G346G329-G346 VanDerWaalsContact O-CA 3.32Å; G329-G346 WeakPolarHBondContact O-CA 3.43Å
330Y96.6Very high89.6Confident26 Ų2658.7 Ų58.710%0.10229%0.289CS..EExtended strand (participates in β ladder)trans-136.3106.5169.4-178.5-75.9000107Y253 Y278 L318 V332 V344 L355Y253-Y330 HydrophobicContact CE1-CE1 4.48Å; Y253-Y330 PolarHBondContact OH-OH 3.17Å; Y278-Y330 WeakPolarHBondContact OH-CE2 3.27Å; Y278-Y330 PolarHBondContact OH-OH 3.16Å; L318-Y330 CarbonylContact C-O 3.59Å; L318-Y330 WeakPolarHBondContact CA-O 3.44Å; L318-Y330 HydrophobicContact CB-CD1 4.41Å; L318-Y330 WeakPolarHBondContact CB-O 3.35Å; L318-Y330 HydrophobicContact CD1-CD1 4.08Å; L318-Y330 PolarHBondContact N-O 3.28Å; L318-Y330 PolarHBondContact O-N 3.24Å; Y330-V332 HydrophobicContact CE1-CG2 4.01Å; Y330-V344 HydrophobicContact CD1-CG1 3.91Å; Y330-V344 HydrophobicContact CD2-CG1 3.87Å; Y330-V344 HydrophobicContact CE1-CG1 3.69Å; Y330-V344 HydrophobicContact CE1-CG2 4.29Å; Y330-V344 HydrophobicContact CE2-CG1 3.68Å; Y330-V344 HydrophobicContact CG-CG1 3.99Å; Y330-L355 WeakPolarHBondContact OH-CD1 3.43Å
331N97.9Very high89.9Confident0 Ų058.9 Ų58.90%029%0.289CS..EExtended strand (participates in β ladder)trans-127.6115.4-167.4-57.8-66.2000109.5P238 V244 I333 V344 C345 G346P238-N331 HydrophobicContact CB-CB 4.46Å; P238-N331 WeakPolarHBondContact CG-OD1 3.45Å; V244-N331 HydrophobicContact CG1-CB 3.87Å; N331-I333 PolarHBondContact O-N 3.48Å; N331-V344 CarbonylContact O-C 3.53Å; N331-V344 VanDerWaalsContact O-CA 3.29Å; N331-V344 WeakPolarHBondContact O-CA 3.48Å; N331-C345 PolarHBondContact N-O 3.19Å; N331-C345 PolarHBondContact O-N 3.12Å; N331-G346 PolarHBondContact ND2-O 2.83Å
332V98.3Very high90.3Very high0 Ų058.3 Ų58.30%029%0.285CS..EExtended strand (participates in β ladder)trans-80.8116.1175.5-169.70000108.1V244 V245 F248 Y253 A316 Y330 A334 L335 A342 V344V244-V332 CarbonylContact C-O 3.53Å; V244-V332 WeakPolarHBondContact CA-O 3.33Å; V245-V332 HydrophobicContact CG2-CG1 4.14Å; V245-V332 PolarHBondContact N-O 2.89Å; F248-V332 HydrophobicContact CE2-CG2 4.44Å; Y253-V332 HydrophobicContact CE2-CG2 4.28Å; A316-V332 HydrophobicContact CB-CB 3.64Å; A316-V332 HydrophobicContact CB-CG2 3.93Å; A316-V332 PolarHBondContact O-N 2.86Å; Y330-V332 HydrophobicContact CE1-CG2 4.01Å; V332-A334 WeakPolarHBondContact CG1-O 3.38Å; V332-L335 HydrophobicContact CG1-CB 4.05Å; V332-A342 HydrophobicContact CG1-CB 4.26Å; V332-V344 HydrophobicContact CG2-CG2 4.26Å
333I97.8Very high91Very high12 Ų1254.8 Ų54.86%0.06227%0.269CS..EExtended strand (participates in β ladder)trans-108.2-18.6-173.761.8168.1000112.7V242 V244 N331 L343 C345 L352 E376 F378V242-I333 HydrophobicContact CG1-CB 4.28Å; V242-I333 HydrophobicContact CG1-CG2 3.36Å; V244-I333 HydrophobicContact CG1-CG2 4.45Å; N331-I333 PolarHBondContact O-N 3.48Å; I333-L343 HydrophobicContact CD1-CD2 3.54Å; I333-L343 HydrophobicContact CD1-CG 3.79Å; I333-L343 HydrophobicContact CG1-CB 3.99Å; I333-L343 HydrophobicContact CG1-CD2 3.75Å; I333-L343 HydrophobicContact CG1-CG 3.69Å; I333-L343 WeakPolarHBondContact CG1-O 3.26Å; I333-L343 PolarHBondContact N-O 3.5Å; I333-C345 HydrophobicContact CD1-CB 4.32Å; I333-L352 HydrophobicContact CD1-CD1 4.03Å; I333-E376 HydrophobicContact CD1-CG 4.39Å; I333-F378 HydrophobicContact CD1-CD2 4.47Å; I333-F378 HydrophobicContact CD1-CE2 3.86Å; I333-F378 HydrophobicContact CD1-CZ 4.39Å
334A98Very high92.1Very high15 Ų1547.9 Ų47.912%0.12424%0.239CC..EExtended strand (participates in β ladder)trans-141.1144164.900000109.5V332 A342 L343 M369 V372V332-A334 WeakPolarHBondContact CG1-O 3.38Å; A334-A342 CarbonylContact O-C 3.6Å; A334-A342 VanDerWaalsContact O-CA 3.31Å; A334-A342 WeakPolarHBondContact O-CA 3.39Å; A334-L343 HydrophobicContact CB-CB 3.68Å; A334-L343 HydrophobicContact CB-CD2 4.49Å; A334-L343 PolarHBondContact N-O 3.26Å; A334-L343 PolarHBondContact O-N 3.29Å; A334-M369 HydrophobicContact CB-SD 4.2Å; A334-V372 HydrophobicContact CB-CG1 4.09Å; A334-V372 HydrophobicContact CB-CG2 4.49Å
335L98.3Very high93.8Very high33 Ų3345 Ų4517%0.17321%0.21CC..EExtended strand (participates in β ladder)trans-155.5126.2177.1-176.861.8000108V245 F248 Y253 W257 V332 Y339 H341 A342V245-L335 HydrophobicContact CG1-CB 4.3Å; V245-L335 HydrophobicContact CG1-CD2 4.36Å; V245-L335 HydrophobicContact CG2-CB 3.92Å; F248-L335 HydrophobicContact CD2-CD2 3.8Å; F248-L335 HydrophobicContact CE2-CD2 3.88Å; Y253-L335 HydrophobicContact CD2-CD1 4.31Å; Y253-L335 HydrophobicContact CD2-CD2 4.46Å; Y253-L335 HydrophobicContact CE2-CD1 4.13Å; W257-L335 HydrophobicContact CH2-CD1 3.93Å; V332-L335 HydrophobicContact CG1-CB 4.05Å; L335-Y339 HydrophobicContact CD1-CD1 4.27Å; L335-Y339 HydrophobicContact CD1-CG 4.28Å; L335-Y339 HydrophobicContact CD2-CD1 3.84Å; L335-Y339 HydrophobicContact CD2-CD2 4.3Å; L335-Y339 HydrophobicContact CD2-CE1 3.5Å; L335-Y339 VanDerWaalsContact CD2-CE1 3.5Å; L335-Y339 HydrophobicContact CD2-CE2 3.97Å; L335-Y339 HydrophobicContact CD2-CG 4.22Å; L335-Y339 HydrophobicContact CG-CD1 4.42Å; L335-Y339 HydrophobicContact CG-CD2 4.44Å; L335-Y339 HydrophobicContact CG-CE1 4.49Å; L335-Y339 HydrophobicContact CG-CE2 4.47Å; L335-Y339 HydrophobicContact CG-CG 4.39Å; L335-H341 WeakPolarHBondContact CA-O 3.41Å; L335-A342 HydrophobicContact CD1-CB 3.88Å
336D96.3Very high95.1Very high30 Ų3041.3 Ų41.316%0.1619%0.186CC..  trans-73.7160.1176.278.6104.8000111.5E338 Y339 R340 H341D336-E338 PolarHBondContact O-N 3.36Å; D336-E338 VanDerWaalsContact O-N 3.11Å; D336-E338 WeakPolarHBondContact OD1-CA 3.45Å; D336-E338 WeakPolarHBondContact OD1-CB 3.29Å; D336-E338 PolarHBondContact OD1-N 3.3Å; D336-Y339 PolarHBondContact O-N 2.86Å; D336-Y339 PolarHBondContact OD1-N 2.97Å; D336-R340 IonicContact OD1-NE 3.98Å; D336-R340 WeakPolarHBondContact OD2-CA 3.47Å; D336-R340 PolarHBondContact OD2-N 3.5Å; D336-H341 PolarHBondContact N-O 3.3Å; D336-H341 PolarHBondContact OD2-N 3.03Å
337R95.2Very high95.8Very high222 Ų22238.9 Ų38.984%0.83818%0.18SC*.THydrogen-bonded Turntrans-58.5-28.9-175.3-66.8-176.9179.4-179.60.6113.7R252R252-R337 PolarHBondContact NH1-O 2.96Å; R252-R337 PolarHBondContact NH2-O 2.8Å
338E97.4Very high96.2Very high124 Ų12437.5 Ų37.558%0.57918%0.179SC*.THydrogen-bonded Turntrans-94.51.9-178.2-57.4-50.1133.500113.2R252 D336 R340R252-E338 IonicContact NH2-OE2 2.8Å; D336-E338 PolarHBondContact O-N 3.36Å; D336-E338 VanDerWaalsContact O-N 3.11Å; D336-E338 WeakPolarHBondContact OD1-CA 3.45Å; D336-E338 WeakPolarHBondContact OD1-CB 3.29Å; D336-E338 PolarHBondContact OD1-N 3.3Å; E338-R340 VanDerWaalsContact C-N 3.28Å; E338-R340 HydrophobicContact CB-CG 3.96Å; E338-R340 PolarHBondContact O-N 3.3Å
339Y98.2Very high96.4Very high16 Ų1640.2 Ų40.26%0.06318%0.18CC..SBendtrans58.839.6179.6-73.9-124.1000112.4F248 D249 R252 Y253 W257 L335 D336 R357F248-Y339 HydrophobicContact CD2-CE1 4.29Å; F248-Y339 HydrophobicContact CE2-CE1 4.14Å; D249-Y339 PolarHBondContact N-OH 3.04Å; D249-Y339 WeakPolarHBondContact O-CE1 3.37Å; R252-Y339 VanDerWaalsContact C-CD1 3.48Å; R252-Y339 HydrophobicContact CB-CD1 3.53Å; R252-Y339 HydrophobicContact CB-CD2 4.22Å; R252-Y339 HydrophobicContact CB-CE1 3.62Å; R252-Y339 HydrophobicContact CB-CE2 4.33Å; R252-Y339 HydrophobicContact CB-CG 3.85Å; R252-Y339 VanDerWaalsContact CZ-CD2 3.5Å; Y253-Y339 HydrophobicContact CD2-CD1 4.1Å; Y253-Y339 HydrophobicContact CD2-CE1 4.37Å; W257-Y339 VanDerWaalsContact CH2-O 3.31Å; W257-Y339 WeakPolarHBondContact CH2-O 3.42Å; L335-Y339 HydrophobicContact CD1-CD1 4.27Å; L335-Y339 HydrophobicContact CD1-CG 4.28Å; L335-Y339 HydrophobicContact CD2-CD1 3.84Å; L335-Y339 HydrophobicContact CD2-CD2 4.3Å; L335-Y339 HydrophobicContact CD2-CE1 3.5Å; L335-Y339 VanDerWaalsContact CD2-CE1 3.5Å; L335-Y339 HydrophobicContact CD2-CE2 3.97Å; L335-Y339 HydrophobicContact CD2-CG 4.22Å; L335-Y339 HydrophobicContact CG-CD1 4.42Å; L335-Y339 HydrophobicContact CG-CD2 4.44Å; L335-Y339 HydrophobicContact CG-CE1 4.49Å; L335-Y339 HydrophobicContact CG-CE2 4.47Å; L335-Y339 HydrophobicContact CG-CG 4.39Å; D336-Y339 PolarHBondContact O-N 2.86Å; D336-Y339 PolarHBondContact OD1-N 2.97Å; Y339-R357 WeakPolarHBondContact O-CG 3.45Å; Y339-R357 PolarHBondContact O-NE 3.24Å
340R98.3Very high96.4Very high139 Ų13944.5 Ų44.553%0.52520%0.201SC..SBendtrans-94.9-30.4178.6-65.3-170.8-63.2169.80.3113.5D336 E338 S356 R357D336-R340 IonicContact OD1-NE 3.98Å; D336-R340 WeakPolarHBondContact OD2-CA 3.47Å; D336-R340 PolarHBondContact OD2-N 3.5Å; E338-R340 VanDerWaalsContact C-N 3.28Å; E338-R340 HydrophobicContact CB-CG 3.96Å; E338-R340 PolarHBondContact O-N 3.3Å; R340-S356 CarbonylContact O-C 3.52Å; R340-S356 VanDerWaalsContact O-CA 3.31Å; R340-S356 WeakPolarHBondContact O-CA 3.43Å; R340-R357 PolarHBondContact O-N 3.47Å
341H98.6Very high96.4Very high21 Ų2147.1 Ų47.110%0.09721%0.211CC..EExtended strand (participates in β ladder)trans-140.8136.6-175.5-46.3109.3000110.2L335 D336 L355 S356 V365 M369L335-H341 WeakPolarHBondContact CA-O 3.41Å; D336-H341 PolarHBondContact N-O 3.3Å; D336-H341 PolarHBondContact OD2-N 3.03Å; H341-L355 CarbonylContact C-O 3.53Å; H341-L355 VanDerWaalsContact CA-O 3.32Å; H341-L355 WeakPolarHBondContact CA-O 3.3Å; H341-S356 PolarHBondContact CD2-OG 3.22Å; H341-V365 HydrophobicContact CB-CG1 4.05Å; H341-M369 HydrophobicContact CB-CE 3.68Å
342A98.6Very high96.4Very high0 Ų047.1 Ų47.10%021%0.211CC..EExtended strand (participates in β ladder)trans-136.7142.1179.700000110.9Y253 W257 V332 A334 L335 V344 L355Y253-A342 HydrophobicContact CE2-CB 4.1Å; W257-A342 HydrophobicContact CE3-CB 4.42Å; W257-A342 HydrophobicContact CH2-CB 3.89Å; W257-A342 HydrophobicContact CZ3-CB 3.74Å; V332-A342 HydrophobicContact CG1-CB 4.26Å; A334-A342 CarbonylContact O-C 3.6Å; A334-A342 VanDerWaalsContact O-CA 3.31Å; A334-A342 WeakPolarHBondContact O-CA 3.39Å; L335-A342 HydrophobicContact CD1-CB 3.88Å; A342-V344 HydrophobicContact CB-CG2 4.35Å; A342-L355 HydrophobicContact CB-CB 4.36Å; A342-L355 PolarHBondContact N-O 2.81Å; A342-L355 PolarHBondContact O-N 2.62Å
343L98.6Very high96.4Very high0 Ų048.5 Ų48.50%022%0.217CC..EExtended strand (participates in β ladder)trans-107.5124.4166.9-173.768.6000107.7I333 A334 L352 I354 M369 V372 A373 F383I333-L343 HydrophobicContact CD1-CD2 3.54Å; I333-L343 HydrophobicContact CD1-CG 3.79Å; I333-L343 HydrophobicContact CG1-CB 3.99Å; I333-L343 HydrophobicContact CG1-CD2 3.75Å; I333-L343 HydrophobicContact CG1-CG 3.69Å; I333-L343 WeakPolarHBondContact CG1-O 3.26Å; I333-L343 PolarHBondContact N-O 3.5Å; A334-L343 HydrophobicContact CB-CB 3.68Å; A334-L343 HydrophobicContact CB-CD2 4.49Å; A334-L343 PolarHBondContact N-O 3.26Å; A334-L343 PolarHBondContact O-N 3.29Å; L343-L352 HydrophobicContact CD1-CD1 3.82Å; L343-L352 HydrophobicContact CD1-CD2 4.28Å; L343-L352 HydrophobicContact CD1-CG 4.03Å; L343-L352 HydrophobicContact CG-CD1 3.99Å; L343-I354 HydrophobicContact CD1-CG1 3.8Å; L343-M369 HydrophobicContact CB-SD 3.88Å; L343-V372 HydrophobicContact CD2-CB 4.1Å; L343-V372 HydrophobicContact CD2-CG1 3.96Å; L343-A373 HydrophobicContact CD2-CB 3.96Å; L343-F383 HydrophobicContact CD1-CZ 4.36Å
344V98.6Very high96.4Very high0 Ų048 Ų480%021%0.214CC..EExtended strand (participates in β ladder)trans-125.6134.5-173.9-175.90000109.6Y330 N331 V332 A342 L352 W353 L355Y330-V344 HydrophobicContact CD1-CG1 3.91Å; Y330-V344 HydrophobicContact CD2-CG1 3.87Å; Y330-V344 HydrophobicContact CE1-CG1 3.69Å; Y330-V344 HydrophobicContact CE1-CG2 4.29Å; Y330-V344 HydrophobicContact CE2-CG1 3.68Å; Y330-V344 HydrophobicContact CG-CG1 3.99Å; N331-V344 CarbonylContact O-C 3.53Å; N331-V344 VanDerWaalsContact O-CA 3.29Å; N331-V344 WeakPolarHBondContact O-CA 3.48Å; V332-V344 HydrophobicContact CG2-CG2 4.26Å; A342-V344 HydrophobicContact CB-CG2 4.35Å; V344-L352 CarbonylContact O-C 3.55Å; V344-L352 WeakPolarHBondContact O-CA 3.41Å; V344-L352 VanDerWaalsContact O-CD1 3.25Å; V344-L352 WeakPolarHBondContact O-CD1 3.34Å; V344-W353 PolarHBondContact N-O 3.26Å; V344-W353 PolarHBondContact O-N 3.32Å; V344-L355 HydrophobicContact CG2-CD1 3.93Å; V344-L355 HydrophobicContact CG2-CG 4.43Å
345C97.3Very high96.4Very high0 Ų047.6 Ų47.60%021%0.21CC..EExtended strand (participates in β ladder)trans-118.9158.5172.575.30000113N331 I333 Y351 L352 F378N331-C345 PolarHBondContact N-O 3.19Å; N331-C345 PolarHBondContact O-N 3.12Å; I333-C345 HydrophobicContact CD1-CB 4.32Å; C345-Y351 VanDerWaalsContact CA-O 3.26Å; C345-Y351 WeakPolarHBondContact CA-O 3.5Å; C345-Y351 WeakPolarHBondContact CB-O 3.37Å; C345-L352 HydrophobicContact CB-CD1 3.85Å; C345-F378 HydrophobicContact CB-CE1 3.75Å; C345-F378 HydrophobicContact CB-CE2 4.31Å; C345-F378 HydrophobicContact CB-CZ 3.35Å
346G94.4Very high96.4Very high0 Ų046 Ų460%020%0.202CC..  trans-83.5-153.6178.300000113.7G329 N331 D348 Y351G329-G346 VanDerWaalsContact O-CA 3.32Å; G329-G346 WeakPolarHBondContact O-CA 3.43Å; N331-G346 PolarHBondContact ND2-O 2.83Å; G346-D348 VanDerWaalsContact C-N 3.28Å; G346-D348 PolarHBondContact O-N 3.15Å; G346-Y351 PolarHBondContact N-O 3.47Å
347P89.7Confident96.5Very high51 Ų5147.7 Ų47.733%0.33121%0.206SC..SBendtrans-72.7-18.5176.730.3-33.9000113.8P236P236-P347 HydrophobicContact CB-CB 4.49Å
348D91.3Very high96.7Very high63 Ų6340.5 Ų40.534%0.33719%0.187SC..SBendtrans-140.6-171178.960.452000110.6G346 D350 Y351G346-D348 VanDerWaalsContact C-N 3.28Å; G346-D348 PolarHBondContact O-N 3.15Å; D348-D350 VanDerWaalsContact C-N 3.34Å; D348-D350 WeakPolarHBondContact OD1-CB 3.26Å; D348-D350 PolarHBondContact OD1-N 3.17Å; D348-Y351 VanDerWaalsContact OD1-CD2 3.26Å; D348-Y351 WeakPolarHBondContact OD1-CD2 3.39Å
349R93.3Very high96.7Very high88 Ų8836.2 Ų36.233%0.33217%0.17SC..THydrogen-bonded Turntrans-87.12.7-175.9-73.6-178.1170.980.91.8114.7P239 R240 F263 Y351 E376 G377 F378P239-R349 HydrophobicContact CB-CG 4.46Å; R240-R349 PolarHBondContact O-NH1 3.29Å; R240-R349 VanDerWaalsContact O-NH1 3.13Å; R240-R349 PolarHBondContact O-NH2 2.94Å; F263-R349 WeakPolarHBondContact CE2-O 3.44Å; R349-Y351 VanDerWaalsContact C-N 3.34Å; R349-E376 PolarHBondContact NE-O 3.31Å; R349-E376 PolarHBondContact NH2-O 3.47Å; R349-G377 WeakPolarHBondContact CD-O 3.14Å; R349-F378 HydrophobicContact CB-CD1 4.17Å; R349-F378 HydrophobicContact CB-CE1 4.08Å; R349-F378 HydrophobicContact CG-CD1 4.28Å; R349-F378 HydrophobicContact CG-CE1 4Å; R349-F378 HydrophobicContact CG-CZ 4.11Å; R349-F378 WeakPolarHBondContact O-CD1 3.36Å
350D92.4Very high96.6Very high94 Ų9438.7 Ų38.750%0.50319%0.186SC..THydrogen-bonded Turntrans-91.5-0.9176.5-67.1-41.9000112.7D348 K382D348-D350 VanDerWaalsContact C-N 3.34Å; D348-D350 WeakPolarHBondContact OD1-CB 3.26Å; D348-D350 PolarHBondContact OD1-N 3.17Å; D350-K382 IonicContact OD1-NZ 2.98Å; D350-K382 PolarHBondContact OD1-NZ 3.42Å
351Y95Very high96.5Very high81 Ų8133.7 Ų33.732%0.31817%0.169SC..  trans-124.7115.4-179.8-67-84.2000111.1H265 F267 C345 G346 D348 R349 W353H265-Y351 AromaticContact CD2-CD1 3.28Å; H265-Y351 WeakPolarHBondContact CD2-CD1 3.45Å; H265-Y351 AromaticContact CD2-CE1 3.66Å; H265-Y351 AromaticContact NE2-CD1 3.56Å; F267-Y351 HydrophobicContact CE1-CE1 4.12Å; F267-Y351 HydrophobicContact CZ-CE1 4.44Å; C345-Y351 VanDerWaalsContact CA-O 3.26Å; C345-Y351 WeakPolarHBondContact CA-O 3.5Å; C345-Y351 WeakPolarHBondContact CB-O 3.37Å; G346-Y351 PolarHBondContact N-O 3.47Å; D348-Y351 VanDerWaalsContact OD1-CD2 3.26Å; D348-Y351 WeakPolarHBondContact OD1-CD2 3.39Å; R349-Y351 VanDerWaalsContact C-N 3.34Å; Y351-W353 AromaticContact CD1-CH2 3.75Å; Y351-W353 HydrophobicContact CD1-CH2 3.75Å; Y351-W353 HydrophobicContact CD1-CZ2 4.33Å; Y351-W353 HydrophobicContact CG-CH2 4.15Å
352L98Very high96.4Very high0 Ų035.1 Ų35.10%018%0.182CC..EExtended strand (participates in β ladder)trans-150.1139.9-179.8-167.765.4000110.9R262 F263 I333 L343 V344 C345 A373 F378 F383R262-L352 CarbonylContact C-O 3.49Å; R262-L352 WeakPolarHBondContact CA-O 3.42Å; F263-L352 HydrophobicContact CD1-CB 4.09Å; F263-L352 HydrophobicContact CD2-CB 3.98Å; F263-L352 HydrophobicContact CE1-CB 4.12Å; F263-L352 HydrophobicContact CE1-CD2 3.95Å; F263-L352 HydrophobicContact CE2-CB 4.02Å; F263-L352 HydrophobicContact CE2-CD2 4.42Å; F263-L352 HydrophobicContact CG-CB 4.02Å; F263-L352 HydrophobicContact CZ-CB 4.08Å; F263-L352 HydrophobicContact CZ-CD2 3.8Å; F263-L352 PolarHBondContact N-O 3.37Å; I333-L352 HydrophobicContact CD1-CD1 4.03Å; L343-L352 HydrophobicContact CD1-CD1 3.82Å; L343-L352 HydrophobicContact CD1-CD2 4.28Å; L343-L352 HydrophobicContact CD1-CG 4.03Å; L343-L352 HydrophobicContact CG-CD1 3.99Å; V344-L352 CarbonylContact O-C 3.55Å; V344-L352 WeakPolarHBondContact O-CA 3.41Å; V344-L352 VanDerWaalsContact O-CD1 3.25Å; V344-L352 WeakPolarHBondContact O-CD1 3.34Å; C345-L352 HydrophobicContact CB-CD1 3.85Å; L352-A373 HydrophobicContact CD2-CB 3.87Å; L352-F378 HydrophobicContact CB-CD1 4.07Å; L352-F378 HydrophobicContact CB-CE1 4.27Å; L352-F378 HydrophobicContact CD1-CD1 4.05Å; L352-F378 HydrophobicContact CD1-CE1 3.93Å; L352-F378 HydrophobicContact CD1-CE2 4.43Å; L352-F378 HydrophobicContact CD1-CG 4.34Å; L352-F378 HydrophobicContact CD1-CZ 4.16Å; L352-F378 HydrophobicContact CD2-CB 3.79Å; L352-F378 HydrophobicContact CD2-CD1 3.79Å; L352-F378 HydrophobicContact CD2-CD2 4.48Å; L352-F378 HydrophobicContact CD2-CE1 4.49Å; L352-F378 HydrophobicContact CD2-CG 3.78Å; L352-F378 HydrophobicContact CG-CD1 4.19Å; L352-F378 HydrophobicContact CG-CE1 4.46Å; L352-F383 HydrophobicContact CB-CE1 4.37Å; L352-F383 HydrophobicContact CB-CZ 4.46Å; L352-F383 HydrophobicContact CD2-CE1 3.93Å; L352-F383 HydrophobicContact CD2-CE2 3.81Å; L352-F383 HydrophobicContact CD2-CZ 3.22Å; L352-F383 HydrophobicContact CG-CE1 4.03Å; L352-F383 HydrophobicContact CG-CZ 3.71Å
353W98.5Very high96.3Very high30 Ų3040.5 Ų40.511%0.11421%0.211CC..EExtended strand (participates in β ladder)trans-136.9140.2177.7-61.2-101000111A261 R262 H265 F267 E268 V344 Y351 L355A261-W353 CarbonylContact O-C 3.55Å; A261-W353 VanDerWaalsContact O-CA 3.31Å; A261-W353 WeakPolarHBondContact O-CA 3.17Å; R262-W353 HydrophobicContact CB-CG 4.29Å; H265-W353 AromaticContact CE1-CD2 3.88Å; H265-W353 AromaticContact CE1-CE2 3.15Å; H265-W353 AromaticContact CE1-CH2 3.89Å; H265-W353 AromaticContact CE1-CZ2 3.15Å; H265-W353 WeakPolarHBondContact CE1-CZ2 3.28Å; H265-W353 AromaticContact CE1-NE1 3.37Å; H265-W353 PolarHBondContact CE1-NE1 2.96Å; H265-W353 AromaticContact ND1-CE2 3.54Å; H265-W353 AromaticContact ND1-CZ2 3.4Å; H265-W353 WeakPolarHBondContact ND1-CZ2 3.28Å; H265-W353 AromaticContact ND1-NE1 3.48Å; H265-W353 PolarHBondContact ND1-NE1 2.85Å; H265-W353 AromaticContact NE2-CH2 3.97Å; H265-W353 AromaticContact NE2-CZ2 3.66Å; F267-W353 HydrophobicContact CE2-CZ2 4.4Å; F267-W353 HydrophobicContact CZ-CZ2 4.07Å; E268-W353 PolarHBondContact OE2-NE1 3.04Å; E268-W353 VanDerWaalsContact OE2-NE1 3.11Å; V344-W353 PolarHBondContact N-O 3.26Å; V344-W353 PolarHBondContact O-N 3.32Å; Y351-W353 AromaticContact CD1-CH2 3.75Å; Y351-W353 HydrophobicContact CD1-CH2 3.75Å; Y351-W353 HydrophobicContact CD1-CZ2 4.33Å; Y351-W353 HydrophobicContact CG-CH2 4.15Å; W353-L355 HydrophobicContact CB-CD2 4.21Å; W353-L355 HydrophobicContact CB-CG 4.45Å
354I98.5Very high96.2Very high1 Ų147 Ų471%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-101.6122.1163.7-58.3179.1000107.1I260 A261 L343 I361 M369 L370 F383 W385I260-I354 HydrophobicContact CB-CB 4.33Å; I260-I354 HydrophobicContact CB-CG2 4.08Å; I260-I354 PolarHBondContact N-O 2.85Å; A261-I354 HydrophobicContact CB-CB 4.23Å; A261-I354 HydrophobicContact CB-CD1 4.05Å; A261-I354 HydrophobicContact CB-CG1 4.25Å; A261-I354 PolarHBondContact N-O 3.1Å; A261-I354 PolarHBondContact O-N 3.17Å; L343-I354 HydrophobicContact CD1-CG1 3.8Å; I354-I361 HydrophobicContact CG2-CD1 4.26Å; I354-M369 HydrophobicContact CD1-CB 4.03Å; I354-M369 HydrophobicContact CG1-CB 4.42Å; I354-M369 HydrophobicContact CG2-CG 4.34Å; I354-L370 HydrophobicContact CD1-CD2 4.46Å; I354-F383 HydrophobicContact CD1-CE1 4.23Å; I354-F383 HydrophobicContact CD1-CE2 4.24Å; I354-F383 HydrophobicContact CD1-CZ 3.89Å; I354-F383 HydrophobicContact CG1-CE1 3.99Å; I354-F383 HydrophobicContact CG1-CZ 3.83Å; I354-W385 HydrophobicContact CD1-CH2 4.09Å
355L98.7Very high96.2Very high6 Ų648 Ų483%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-114.6144.7179.3-56.5-177.1000110.5W257 Y258 E259 Y330 H341 A342 V344 W353W257-L355 HydrophobicContact CB-CB 4.2Å; W257-L355 HydrophobicContact CB-CD1 4.37Å; W257-L355 HydrophobicContact CD2-CB 4.21Å; W257-L355 HydrophobicContact CE3-CB 3.57Å; W257-L355 HydrophobicContact CZ3-CB 4.28Å; Y258-L355 CarbonylContact O-C 3.53Å; Y258-L355 VanDerWaalsContact O-CA 3.29Å; Y258-L355 WeakPolarHBondContact O-CA 3.43Å; E259-L355 HydrophobicContact CB-CD2 4.08Å; E259-L355 HydrophobicContact CG-CD2 4.13Å; Y330-L355 WeakPolarHBondContact OH-CD1 3.43Å; H341-L355 CarbonylContact C-O 3.53Å; H341-L355 VanDerWaalsContact CA-O 3.32Å; H341-L355 WeakPolarHBondContact CA-O 3.3Å; A342-L355 HydrophobicContact CB-CB 4.36Å; A342-L355 PolarHBondContact N-O 2.81Å; A342-L355 PolarHBondContact O-N 2.62Å; V344-L355 HydrophobicContact CG2-CD1 3.93Å; V344-L355 HydrophobicContact CG2-CG 4.43Å; W353-L355 HydrophobicContact CB-CD2 4.21Å; W353-L355 HydrophobicContact CB-CG 4.45Å
356S98.6Very high96.2Very high0 Ų050.7 Ų50.70%026%0.259CS..EExtended strand (participates in β ladder)trans-135.8154.2176.6-179.20000111.9W257 Y258 R340 H341 T358 I361W257-S356 CarbonylContact C-O 3.57Å; W257-S356 WeakPolarHBondContact CA-O 3.46Å; Y258-S356 PolarHBondContact N-O 3.1Å; Y258-S356 PolarHBondContact O-N 2.7Å; R340-S356 CarbonylContact O-C 3.52Å; R340-S356 VanDerWaalsContact O-CA 3.31Å; R340-S356 WeakPolarHBondContact O-CA 3.43Å; H341-S356 PolarHBondContact CD2-OG 3.22Å; S356-T358 VanDerWaalsContact CB-O 3.23Å; S356-T358 WeakPolarHBondContact CB-O 3.27Å; S356-T358 PolarHBondContact OG-N 2.9Å; S356-T358 VanDerWaalsContact OG-N 3.13Å; S356-T358 PolarHBondContact OG-O 3.25Å; S356-T358 VanDerWaalsContact OG-O 3.06Å; S356-T358 PolarHBondContact OG-OG1 3.21Å; S356-I361 WeakPolarHBondContact OG-CG2 3.35Å
357R98.1Very high96.4Very high66 Ų6656 Ų5625%0.24928%0.284CS..SBendtrans-74.3-15.7169.5-67.1-60.9-166.9169.37.1113.1R252 Y253 L254 T256 W257 Y258 Y339 R340R252-R357 PolarHBondContact O-NH2 3.38Å; Y253-R357 PolarHBondContact O-NH2 3.32Å; L254-R357 VanDerWaalsContact O-CZ 3.29Å; L254-R357 PolarHBondContact O-NH1 2.68Å; L254-R357 PolarHBondContact O-NH2 3.31Å; T256-R357 WeakPolarHBondContact O-CD 3.45Å; T256-R357 PolarHBondContact O-NH1 2.8Å; W257-R357 VanDerWaalsContact CE2-CZ 3.48Å; W257-R357 HydrophobicContact CZ3-CG 4.43Å; W257-R357 VanDerWaalsContact NE1-CZ 3.33Å; Y258-R357 WeakPolarHBondContact CE2-O 3.28Å; Y339-R357 WeakPolarHBondContact O-CG 3.45Å; Y339-R357 PolarHBondContact O-NE 3.24Å; R340-R357 PolarHBondContact O-N 3.47Å
358T97.8Very high96.7Very high71 Ų7159 Ų5944%0.43629%0.293SS..SBendtrans-119.4157.2177.549.40000111.2Y258 S356 T360Y258-T358 VanDerWaalsContact CD2-C 3.49Å; S356-T358 VanDerWaalsContact CB-O 3.23Å; S356-T358 WeakPolarHBondContact CB-O 3.27Å; S356-T358 PolarHBondContact OG-N 2.9Å; S356-T358 VanDerWaalsContact OG-N 3.13Å; S356-T358 PolarHBondContact OG-O 3.25Å; S356-T358 VanDerWaalsContact OG-O 3.06Å; S356-T358 PolarHBondContact OG-OG1 3.21Å; T358-T360 PolarHBondContact O-N 3.14Å; T358-T360 VanDerWaalsContact O-N 3.12Å; T358-T360 PolarHBondContact OG1-O 2.85Å
359P97.4Very high97Very high34 Ų3456.2 Ų56.222%0.22128%0.278CS..SBendtrans-60.5-20.9179.7-24.934.6000114.8Y258 I260 Q388 P389Y258-P359 HydrophobicContact CD1-CB 4.26Å; Y258-P359 HydrophobicContact CD1-CG 4.13Å; Y258-P359 HydrophobicContact CE1-CB 4.38Å; Y258-P359 HydrophobicContact CE1-CG 3.81Å; Y258-P359 HydrophobicContact CE2-CG 4.32Å; I260-P359 VanDerWaalsContact CD1-O 3.26Å; I260-P359 WeakPolarHBondContact CD1-O 3.41Å; P359-Q388 HydrophobicContact CB-CB 4.06Å; P359-Q388 WeakPolarHBondContact O-CB 3.18Å; P359-Q388 WeakPolarHBondContact O-CG 3.23Å; P359-P389 WeakPolarHBondContact CB-O 3.34Å
360T96.4Very high97.3Very high67 Ų6753.3 Ų53.341%0.41127%0.269SS..  trans-129.7162179.759.40000110.7T358T358-T360 PolarHBondContact O-N 3.14Å; T358-T360 VanDerWaalsContact O-N 3.12Å; T358-T360 PolarHBondContact OG1-O 2.85Å
361I96.3Very high97.5Very high34 Ų3451.8 Ų51.817%0.17427%0.27CS..  trans-128.9157.1173.161.6175.7000109.1I260 I354 S356 V365 K366 W385I260-I361 HydrophobicContact CD1-CG2 4.46Å; I260-I361 HydrophobicContact CG1-CG2 4.07Å; I260-I361 HydrophobicContact CG2-CD1 3.85Å; I260-I361 HydrophobicContact CG2-CG1 4.01Å; I354-I361 HydrophobicContact CG2-CD1 4.26Å; S356-I361 WeakPolarHBondContact OG-CG2 3.35Å; I361-V365 HydrophobicContact CB-CB 4.33Å; I361-V365 HydrophobicContact CB-CG1 4.16Å; I361-V365 HydrophobicContact CD1-CG1 4.32Å; I361-V365 HydrophobicContact CG2-CG1 4.38Å; I361-K366 HydrophobicContact CD1-CB 3.86Å; I361-K366 HydrophobicContact CG1-CB 4.39Å; I361-W385 HydrophobicContact CD1-CZ3 4.37Å
362S96.8Very high97.6Very high52 Ų5248.8 Ų48.836%0.36426%0.26SS..  trans-74.7161.2173.583.70000111.5E364 V365 K366S362-E364 WeakPolarHBondContact CB-OE2 3.23Å; S362-E364 PolarHBondContact O-N 2.84Å; S362-E364 PolarHBondContact OG-N 3.25Å; S362-E364 PolarHBondContact OG-OE2 3.18Å; S362-V365 PolarHBondContact O-N 3.22Å; S362-V365 PolarHBondContact OG-N 3.04Å; S362-K366 PolarHBondContact O-N 3.46Å
363D96.8Very high97.6Very high112 Ų11248.8 Ų48.860%0.59926%0.26SS*.Hα-helixtrans-62.7-33177.4-80.2-32.8000112K366 Q367D363-K366 WeakPolarHBondContact O-CB 3.47Å; D363-K366 PolarHBondContact O-N 2.87Å; D363-Q367 WeakPolarHBondContact O-CG 3.44Å; D363-Q367 PolarHBondContact O-N 3.16Å
364E97.6Very high97.5Very high138 Ų13851.3 Ų51.365%0.64528%0.278SS*.Hα-helixtrans-63.3-47.3176.2-5872.7-156.500111.1S362 K366 Q367 E368S362-E364 WeakPolarHBondContact CB-OE2 3.23Å; S362-E364 PolarHBondContact O-N 2.84Å; S362-E364 PolarHBondContact OG-N 3.25Å; S362-E364 PolarHBondContact OG-OE2 3.18Å; E364-K366 VanDerWaalsContact C-N 3.31Å; E364-K366 PolarHBondContact O-N 2.77Å; E364-Q367 PolarHBondContact O-N 3.01Å; E364-E368 WeakPolarHBondContact O-CB 3.28Å; E364-E368 PolarHBondContact O-N 3.37Å
365V97.3Very high97.4Very high20 Ų2059.7 Ų59.712%0.12131%0.31CS..Hα-helixtrans-63.4-41.3176.9174.50000110.3H341 I361 S362 E368 M369H341-V365 HydrophobicContact CB-CG1 4.05Å; I361-V365 HydrophobicContact CB-CB 4.33Å; I361-V365 HydrophobicContact CB-CG1 4.16Å; I361-V365 HydrophobicContact CD1-CG1 4.32Å; I361-V365 HydrophobicContact CG2-CG1 4.38Å; S362-V365 PolarHBondContact O-N 3.22Å; S362-V365 PolarHBondContact OG-N 3.04Å; V365-E368 PolarHBondContact O-N 2.7Å; V365-M369 HydrophobicContact CG1-CE 4.37Å; V365-M369 HydrophobicContact CG1-CG 4.35Å; V365-M369 VanDerWaalsContact O-CG 3.25Å; V365-M369 WeakPolarHBondContact O-CG 3.41Å; V365-M369 PolarHBondContact O-N 3.2Å
366K97.7Very high97.3Very high56 Ų5660.4 Ų60.424%0.24331%0.313CS..Hα-helixtrans-56.9-51.6174.3166.2167.2176.21770111I361 S362 D363 E364 E368 M369 L370 W385I361-K366 HydrophobicContact CD1-CB 3.86Å; I361-K366 HydrophobicContact CG1-CB 4.39Å; S362-K366 PolarHBondContact O-N 3.46Å; D363-K366 WeakPolarHBondContact O-CB 3.47Å; D363-K366 PolarHBondContact O-N 2.87Å; E364-K366 VanDerWaalsContact C-N 3.31Å; E364-K366 PolarHBondContact O-N 2.77Å; K366-E368 VanDerWaalsContact C-N 3.33Å; K366-E368 PolarHBondContact O-N 3.01Å; K366-M369 PolarHBondContact O-N 3.07Å; K366-L370 HydrophobicContact CG-CD1 4.09Å; K366-L370 VanDerWaalsContact O-CG 3.25Å; K366-L370 WeakPolarHBondContact O-CG 3.21Å; K366-L370 PolarHBondContact O-N 3.24Å; K366-W385 HydrophobicContact CB-CH2 4.41Å; K366-W385 HydrophobicContact CD-CH2 3.46Å; K366-W385 VanDerWaalsContact CD-CH2 3.46Å; K366-W385 HydrophobicContact CD-CZ2 3.89Å; K366-W385 HydrophobicContact CD-CZ3 3.94Å; K366-W385 VanDerWaalsContact CE-CH2 3.49Å; K366-W385 HydrophobicContact CG-CH2 3.57Å; K366-W385 HydrophobicContact CG-CZ2 4.15Å; K366-W385 HydrophobicContact CG-CZ3 4.34Å
367Q97.8Very high97.1Very high113 Ų11362.5 Ų62.553%0.52834%0.335SS..Hα-helixtrans-63.3-38.3179.4-66.2-53.2-38.400112.5D363 E364 L370 A371D363-Q367 WeakPolarHBondContact O-CG 3.44Å; D363-Q367 PolarHBondContact O-N 3.16Å; E364-Q367 PolarHBondContact O-N 3.01Å; Q367-L370 PolarHBondContact O-N 3.14Å; Q367-A371 WeakPolarHBondContact O-CB 3.24Å; Q367-A371 PolarHBondContact O-N 2.87Å
368E97.2Very high97Very high114 Ų11459.7 Ų59.753%0.53333%0.325SS..Hα-helixtrans-59.5-49.2175-175.1-177.9178.400111.5E364 V365 K366 L370 A371 V372E364-E368 WeakPolarHBondContact O-CB 3.28Å; E364-E368 PolarHBondContact O-N 3.37Å; V365-E368 PolarHBondContact O-N 2.7Å; K366-E368 VanDerWaalsContact C-N 3.33Å; K366-E368 PolarHBondContact O-N 3.01Å; E368-L370 PolarHBondContact O-N 3.46Å; E368-A371 PolarHBondContact O-N 3.42Å; E368-V372 WeakPolarHBondContact O-CG2 3.06Å; E368-V372 PolarHBondContact O-N 3.48Å
369M97.8Very high97Very high3 Ų360.1 Ų60.12%0.01532%0.324CS..Hα-helixtrans-64.4-40.9-179.8-65.7-65.2152.800111.9A334 H341 L343 I354 V365 K366 V372 A373A334-M369 HydrophobicContact CB-SD 4.2Å; H341-M369 HydrophobicContact CB-CE 3.68Å; L343-M369 HydrophobicContact CB-SD 3.88Å; I354-M369 HydrophobicContact CD1-CB 4.03Å; I354-M369 HydrophobicContact CG1-CB 4.42Å; I354-M369 HydrophobicContact CG2-CG 4.34Å; V365-M369 HydrophobicContact CG1-CE 4.37Å; V365-M369 HydrophobicContact CG1-CG 4.35Å; V365-M369 VanDerWaalsContact O-CG 3.25Å; V365-M369 WeakPolarHBondContact O-CG 3.41Å; V365-M369 PolarHBondContact O-N 3.2Å; K366-M369 PolarHBondContact O-N 3.07Å; M369-V372 PolarHBondContact O-N 2.88Å; M369-A373 WeakPolarHBondContact O-CB 3.45Å; M369-A373 PolarHBondContact O-N 3.31Å
370L97.9Very high97Very high28 Ų2860.6 Ų60.615%0.14733%0.326CS..Hα-helixtrans-64.2-42.2175.9-65.9-179.6000111.6I354 K366 Q367 E368 V372 A373 T374 V380 F383 W385I354-L370 HydrophobicContact CD1-CD2 4.46Å; K366-L370 HydrophobicContact CG-CD1 4.09Å; K366-L370 VanDerWaalsContact O-CG 3.25Å; K366-L370 WeakPolarHBondContact O-CG 3.21Å; K366-L370 PolarHBondContact O-N 3.24Å; Q367-L370 PolarHBondContact O-N 3.14Å; E368-L370 PolarHBondContact O-N 3.46Å; L370-V372 PolarHBondContact O-N 2.99Å; L370-A373 PolarHBondContact O-N 2.77Å; L370-T374 PolarHBondContact O-N 3.2Å; L370-T374 PolarHBondContact O-OG1 3.24Å; L370-T374 VanDerWaalsContact O-OG1 3.1Å; L370-V380 HydrophobicContact CD2-CB 4.06Å; L370-V380 HydrophobicContact CD2-CG1 4.08Å; L370-F383 HydrophobicContact CD2-CD2 3.6Å; L370-F383 HydrophobicContact CD2-CE2 3.57Å; L370-W385 HydrophobicContact CD2-CZ2 4.44Å
371A97.6Very high97Very high62 Ų6262 Ų6251%0.51234%0.338SS..Hα-helixtrans-62.6-41.2177.600000112.1Q367 E368 R375Q367-A371 WeakPolarHBondContact O-CB 3.24Å; Q367-A371 PolarHBondContact O-N 2.87Å; E368-A371 PolarHBondContact O-N 3.42Å; A371-R375 WeakPolarHBondContact O-CB 3.23Å; A371-R375 PolarHBondContact O-N 3.07Å
372V97Very high97Very high17 Ų1764.9 Ų64.910%0.10335%0.35CS..Hα-helixtrans-64.4-46.9173.81790000110.7A334 L343 E368 M369 L370 T374 R375 E376A334-V372 HydrophobicContact CB-CG1 4.09Å; A334-V372 HydrophobicContact CB-CG2 4.49Å; L343-V372 HydrophobicContact CD2-CB 4.1Å; L343-V372 HydrophobicContact CD2-CG1 3.96Å; E368-V372 WeakPolarHBondContact O-CG2 3.06Å; E368-V372 PolarHBondContact O-N 3.48Å; M369-V372 PolarHBondContact O-N 2.88Å; L370-V372 PolarHBondContact O-N 2.99Å; V372-T374 VanDerWaalsContact C-N 3.35Å; V372-T374 PolarHBondContact O-N 3.03Å; V372-R375 PolarHBondContact O-N 3.4Å; V372-E376 HydrophobicContact CG1-CG 4.21Å; V372-E376 WeakPolarHBondContact O-CG 3.38Å; V372-E376 PolarHBondContact O-N 2.84Å
373A97.4Very high97Very high0 Ų063.2 Ų63.20%034%0.336CS..Hα-helixtrans-56.3-47.5177.800000112L343 L352 M369 L370 R375 E376 G377 F378 V380 F383L343-A373 HydrophobicContact CD2-CB 3.96Å; L352-A373 HydrophobicContact CD2-CB 3.87Å; M369-A373 WeakPolarHBondContact O-CB 3.45Å; M369-A373 PolarHBondContact O-N 3.31Å; L370-A373 PolarHBondContact O-N 2.77Å; A373-R375 PolarHBondContact O-N 3.39Å; A373-E376 PolarHBondContact O-N 2.97Å; A373-G377 PolarHBondContact O-N 3.19Å; A373-F378 HydrophobicContact CB-CB 4.25Å; A373-F378 WeakPolarHBondContact O-CB 3.36Å; A373-F378 WeakPolarHBondContact O-CD2 2.94Å; A373-F378 PolarHBondContact O-N 3.1Å; A373-V380 HydrophobicContact CB-CG1 3.69Å; A373-F383 HydrophobicContact CB-CE2 4.46Å
374T97Very high97Very high83 Ų8361.3 Ų61.351%0.50933%0.325SS..Hα-helixtrans-61.1-43.9176.7-59.40000111.8L370 V372 E376 G377 V380L370-T374 PolarHBondContact O-N 3.2Å; L370-T374 PolarHBondContact O-OG1 3.24Å; L370-T374 VanDerWaalsContact O-OG1 3.1Å; V372-T374 VanDerWaalsContact C-N 3.35Å; V372-T374 PolarHBondContact O-N 3.03Å; T374-E376 VanDerWaalsContact C-N 3.3Å; T374-E376 PolarHBondContact O-N 2.97Å; T374-G377 WeakPolarHBondContact O-CA 3.21Å; T374-G377 PolarHBondContact O-N 3.43Å; T374-V380 WeakPolarHBondContact OG1-CG1 3.4Å
375R96.5Very high96.9Very high177 Ų17759.1 Ų59.167%0.66831%0.311SS*.Hα-helixtrans-60.8-38.5178.2-176.9179.667.1-149.6-3.1112.6A371 V372 A373 G377A371-R375 WeakPolarHBondContact O-CB 3.23Å; A371-R375 PolarHBondContact O-N 3.07Å; V372-R375 PolarHBondContact O-N 3.4Å; A373-R375 PolarHBondContact O-N 3.39Å; R375-G377 PolarHBondContact O-N 3.25Å
376E95.5Very high96.8Very high21 Ų2158.7 Ų58.710%0.09831%0.308CS..THydrogen-bonded Turntrans-79.50.2178.1-58.1-61.2137.200112.9V242 T243 I333 R349 V372 A373 T374 F378V242-E376 VanDerWaalsContact CA-OE2 3.3Å; V242-E376 WeakPolarHBondContact CA-OE2 3.36Å; V242-E376 HydrophobicContact CG2-CB 4.46Å; T243-E376 PolarHBondContact N-OE2 2.96Å; I333-E376 HydrophobicContact CD1-CG 4.39Å; R349-E376 PolarHBondContact NE-O 3.31Å; R349-E376 PolarHBondContact NH2-O 3.47Å; V372-E376 HydrophobicContact CG1-CG 4.21Å; V372-E376 WeakPolarHBondContact O-CG 3.38Å; V372-E376 PolarHBondContact O-N 2.84Å; A373-E376 PolarHBondContact O-N 2.97Å; T374-E376 VanDerWaalsContact C-N 3.3Å; T374-E376 PolarHBondContact O-N 2.97Å; E376-F378 HydrophobicContact CB-CD2 3.86Å; E376-F378 HydrophobicContact CB-CE2 3.81Å
377G95.3Very high96.7Very high44 Ų4460.9 Ų60.945%0.45432%0.32SS..THydrogen-bonded Turntrans88.922.6173.600000114.8R349 A373 T374 R375R349-G377 WeakPolarHBondContact CD-O 3.14Å; A373-G377 PolarHBondContact O-N 3.19Å; T374-G377 WeakPolarHBondContact O-CA 3.21Å; T374-G377 PolarHBondContact O-N 3.43Å; R375-G377 PolarHBondContact O-N 3.25Å
378F97Very high96.6Very high8 Ų856 Ų564%0.03530%0.297CS..  trans-87.2140.1174.2-65.2-97000111.4V242 F263 I333 C345 R349 L352 A373 E376 V380V242-F378 HydrophobicContact CG2-CE2 4.17Å; V242-F378 HydrophobicContact CG2-CZ 4.44Å; F263-F378 HydrophobicContact CE2-CD1 4.12Å; F263-F378 HydrophobicContact CZ-CB 4.19Å; F263-F378 HydrophobicContact CZ-CD1 4.47Å; I333-F378 HydrophobicContact CD1-CD2 4.47Å; I333-F378 HydrophobicContact CD1-CE2 3.86Å; I333-F378 HydrophobicContact CD1-CZ 4.39Å; C345-F378 HydrophobicContact CB-CE1 3.75Å; C345-F378 HydrophobicContact CB-CE2 4.31Å; C345-F378 HydrophobicContact CB-CZ 3.35Å; R349-F378 HydrophobicContact CB-CD1 4.17Å; R349-F378 HydrophobicContact CB-CE1 4.08Å; R349-F378 HydrophobicContact CG-CD1 4.28Å; R349-F378 HydrophobicContact CG-CE1 4Å; R349-F378 HydrophobicContact CG-CZ 4.11Å; R349-F378 WeakPolarHBondContact O-CD1 3.36Å; L352-F378 HydrophobicContact CB-CD1 4.07Å; L352-F378 HydrophobicContact CB-CE1 4.27Å; L352-F378 HydrophobicContact CD1-CD1 4.05Å; L352-F378 HydrophobicContact CD1-CE1 3.93Å; L352-F378 HydrophobicContact CD1-CE2 4.43Å; L352-F378 HydrophobicContact CD1-CG 4.34Å; L352-F378 HydrophobicContact CD1-CZ 4.16Å; L352-F378 HydrophobicContact CD2-CB 3.79Å; L352-F378 HydrophobicContact CD2-CD1 3.79Å; L352-F378 HydrophobicContact CD2-CD2 4.48Å; L352-F378 HydrophobicContact CD2-CE1 4.49Å; L352-F378 HydrophobicContact CD2-CG 3.78Å; L352-F378 HydrophobicContact CG-CD1 4.19Å; L352-F378 HydrophobicContact CG-CE1 4.46Å; A373-F378 HydrophobicContact CB-CB 4.25Å; A373-F378 WeakPolarHBondContact O-CB 3.36Å; A373-F378 WeakPolarHBondContact O-CD2 2.94Å; A373-F378 PolarHBondContact O-N 3.1Å; E376-F378 HydrophobicContact CB-CD2 3.86Å; E376-F378 HydrophobicContact CB-CE2 3.81Å; F378-V380 PolarHBondContact O-N 3.17Å; F378-V380 VanDerWaalsContact O-N 3.14Å
379D96.5Very high96.1Very high79 Ų7954.1 Ų54.142%0.42229%0.294SS..  trans-81.390.4174.7179.15.4000110F263 S381 K382F263-D379 WeakPolarHBondContact CZ-O 3.47Å; D379-S381 VanDerWaalsContact CG-OG 3.28Å; D379-S381 PolarHBondContact O-N 3.44Å; D379-S381 WeakPolarHBondContact OD1-CB 3.47Å; D379-S381 PolarHBondContact OD1-N 2.68Å; D379-S381 VanDerWaalsContact OD1-N 3.16Å; D379-S381 PolarHBondContact OD1-OG 3.05Å; D379-S381 PolarHBondContact OD2-OG 3.22Å; D379-K382 HydrophobicContact CB-CD 4.17Å; D379-K382 HydrophobicContact CB-CG 4.24Å; D379-K382 WeakPolarHBondContact O-CB 3.49Å; D379-K382 PolarHBondContact O-N 2.81Å; D379-K382 WeakPolarHBondContact OD2-CE 3.44Å
380V96.9Very high95.2Very high44 Ų4457.7 Ų57.727%0.26733%0.332SS..G310 helixtrans-61-15.7-177.5-62.90000114L370 A373 T374 F378 K382 F383L370-V380 HydrophobicContact CD2-CB 4.06Å; L370-V380 HydrophobicContact CD2-CG1 4.08Å; A373-V380 HydrophobicContact CB-CG1 3.69Å; T374-V380 WeakPolarHBondContact OG1-CG1 3.4Å; F378-V380 PolarHBondContact O-N 3.17Å; F378-V380 VanDerWaalsContact O-N 3.14Å; V380-K382 PolarHBondContact O-N 3.11Å; V380-F383 HydrophobicContact CB-CD2 4.07Å; V380-F383 HydrophobicContact CB-CE2 4.29Å; V380-F383 HydrophobicContact CG1-CD2 4.4Å; V380-F383 HydrophobicContact CG1-CE2 4.11Å; V380-F383 WeakPolarHBondContact O-CD2 3.49Å; V380-F383 PolarHBondContact O-N 3Å
381S96.7Very high93.9Very high96 Ų9661.4 Ų61.467%0.67136%0.361SS*.G310 helixtrans-66-19.7174.675.40000112.7D379 F383D379-S381 VanDerWaalsContact CG-OG 3.28Å; D379-S381 PolarHBondContact O-N 3.44Å; D379-S381 WeakPolarHBondContact OD1-CB 3.47Å; D379-S381 PolarHBondContact OD1-N 2.68Å; D379-S381 VanDerWaalsContact OD1-N 3.16Å; D379-S381 PolarHBondContact OD1-OG 3.05Å; D379-S381 PolarHBondContact OD2-OG 3.22Å; S381-F383 VanDerWaalsContact C-N 3.27Å; S381-F383 PolarHBondContact O-N 3.03Å
382K96.5Very high93.7Very high95 Ų9561.4 Ų61.441%0.41335%0.353SS..G310 helixtrans-78.9-4.5178.3-62.5-178.4178.7-178.60114.2F263 D350 D379 V380 I384F263-K382 HydrophobicContact CD1-CB 3.86Å; F263-K382 HydrophobicContact CD2-CB 4.31Å; F263-K382 HydrophobicContact CD2-CD 4.39Å; F263-K382 HydrophobicContact CE1-CB 3.83Å; F263-K382 HydrophobicContact CE2-CB 4.28Å; F263-K382 HydrophobicContact CE2-CD 4.25Å; F263-K382 HydrophobicContact CG-CB 4.12Å; F263-K382 HydrophobicContact CZ-CB 4.05Å; D350-K382 IonicContact OD1-NZ 2.98Å; D350-K382 PolarHBondContact OD1-NZ 3.42Å; D379-K382 HydrophobicContact CB-CD 4.17Å; D379-K382 HydrophobicContact CB-CG 4.24Å; D379-K382 WeakPolarHBondContact O-CB 3.49Å; D379-K382 PolarHBondContact O-N 2.81Å; D379-K382 WeakPolarHBondContact OD2-CE 3.44Å; V380-K382 PolarHBondContact O-N 3.11Å; K382-I384 PolarHBondContact O-N 3.35Å
383F97.6Very high93.6Very high18 Ų1863.7 Ų63.78%0.07937%0.366CS..PPolyproline II helixtrans-66.4126.1-179.5-87.2-59000112.2A261 F263 L343 L352 I354 L370 A373 V380 S381A261-F383 HydrophobicContact CB-CB 4.46Å; A261-F383 HydrophobicContact CB-CD1 3.64Å; A261-F383 HydrophobicContact CB-CE1 4.09Å; A261-F383 HydrophobicContact CB-CG 4.23Å; F263-F383 AromaticContact CD1-CD1 3.75Å; F263-F383 HydrophobicContact CD1-CD1 3.75Å; F263-F383 HydrophobicContact CD1-CE1 4.02Å; F263-F383 HydrophobicContact CD1-CG 4.12Å; F263-F383 AromaticContact CE1-CD1 3.82Å; F263-F383 HydrophobicContact CE1-CD1 3.82Å; F263-F383 AromaticContact CE1-CD2 3.96Å; F263-F383 HydrophobicContact CE1-CD2 3.96Å; F263-F383 AromaticContact CE1-CE1 3.95Å; F263-F383 HydrophobicContact CE1-CE1 3.95Å; F263-F383 HydrophobicContact CE1-CE2 4.08Å; F263-F383 AromaticContact CE1-CG 3.84Å; F263-F383 HydrophobicContact CE1-CG 3.84Å; F263-F383 HydrophobicContact CE1-CZ 4.1Å; L343-F383 HydrophobicContact CD1-CZ 4.36Å; L352-F383 HydrophobicContact CB-CE1 4.37Å; L352-F383 HydrophobicContact CB-CZ 4.46Å; L352-F383 HydrophobicContact CD2-CE1 3.93Å; L352-F383 HydrophobicContact CD2-CE2 3.81Å; L352-F383 HydrophobicContact CD2-CZ 3.22Å; L352-F383 HydrophobicContact CG-CE1 4.03Å; L352-F383 HydrophobicContact CG-CZ 3.71Å; I354-F383 HydrophobicContact CD1-CE1 4.23Å; I354-F383 HydrophobicContact CD1-CE2 4.24Å; I354-F383 HydrophobicContact CD1-CZ 3.89Å; I354-F383 HydrophobicContact CG1-CE1 3.99Å; I354-F383 HydrophobicContact CG1-CZ 3.83Å; L370-F383 HydrophobicContact CD2-CD2 3.6Å; L370-F383 HydrophobicContact CD2-CE2 3.57Å; A373-F383 HydrophobicContact CB-CE2 4.46Å; V380-F383 HydrophobicContact CB-CD2 4.07Å; V380-F383 HydrophobicContact CB-CE2 4.29Å; V380-F383 HydrophobicContact CG1-CD2 4.4Å; V380-F383 HydrophobicContact CG1-CE2 4.11Å; V380-F383 WeakPolarHBondContact O-CD2 3.49Å; V380-F383 PolarHBondContact O-N 3Å; S381-F383 VanDerWaalsContact C-N 3.27Å; S381-F383 PolarHBondContact O-N 3.03Å
384I96.1Very high93.3Very high72 Ų7267.3 Ų67.337%0.36939%0.387SS..EExtended strand (participates in β ladder)trans-95.1120.4162.9-59.6173.7000107.1A261 R262 D264 K382A261-I384 CarbonylContact C-O 3.53Å; A261-I384 WeakPolarHBondContact CA-O 3.35Å; R262-I384 PolarHBondContact N-O 3.03Å; R262-I384 PolarHBondContact O-N 3.41Å; D264-I384 HydrophobicContact CB-CD1 3.81Å; K382-I384 PolarHBondContact O-N 3.35Å
385W96.3Very high93.1Very high92 Ų9266.4 Ų66.435%0.34838%0.379SS..EExtended strand (participates in β ladder)trans-81.3123.7173.8-65.187.3000109.4I260 A261 I354 I361 K366 L370I260-W385 HydrophobicContact CG2-CE3 3.98Å; I260-W385 HydrophobicContact CG2-CZ3 3.75Å; A261-W385 HydrophobicContact CB-CD2 4.07Å; A261-W385 HydrophobicContact CB-CE3 3.89Å; A261-W385 HydrophobicContact CB-CH2 4.32Å; A261-W385 HydrophobicContact CB-CZ3 4.04Å; I354-W385 HydrophobicContact CD1-CH2 4.09Å; I361-W385 HydrophobicContact CD1-CZ3 4.37Å; K366-W385 HydrophobicContact CB-CH2 4.41Å; K366-W385 HydrophobicContact CD-CH2 3.46Å; K366-W385 VanDerWaalsContact CD-CH2 3.46Å; K366-W385 HydrophobicContact CD-CZ2 3.89Å; K366-W385 HydrophobicContact CD-CZ3 3.94Å; K366-W385 VanDerWaalsContact CE-CH2 3.49Å; K366-W385 HydrophobicContact CG-CH2 3.57Å; K366-W385 HydrophobicContact CG-CZ2 4.15Å; K366-W385 HydrophobicContact CG-CZ3 4.34Å; L370-W385 HydrophobicContact CD2-CZ2 4.44Å
386V95.6Very high92.9Very high10 Ų1059.4 Ų59.46%0.06136%0.361CS..PPolyproline II helixtrans-84.2130.8-172.9-170.20000109.2E259 I260 R262 V274 Q388E259-V386 HydrophobicContact CG-CG2 4.13Å; E259-V386 VanDerWaalsContact O-CB 3.29Å; E259-V386 WeakPolarHBondContact O-CB 3.38Å; E259-V386 WeakPolarHBondContact OE1-CG2 3.44Å; I260-V386 PolarHBondContact O-N 3.1Å; R262-V386 HydrophobicContact CG-CG2 4.33Å; V274-V386 HydrophobicContact CB-CG1 4.28Å; V274-V386 HydrophobicContact CG2-CG1 4.06Å; V386-Q388 PolarHBondContact O-N 3.34Å
387Q95.1Very high92.7Very high103 Ų10362 Ų6248%0.48138%0.379SS..PPolyproline II helixtrans-64.5121172.6-63.7-61.6-40.400109.6E272 K273E272-Q387 HydrophobicContact CB-CB 4.15Å; E272-Q387 HydrophobicContact CG-CB 3.95Å; E272-Q387 HydrophobicContact CG-CG 4.41Å; K273-Q387 PolarHBondContact N-O 2.84Å
388Q96Very high92.6Very high10 Ų1063.3 Ų63.35%0.04737%0.374CS..  trans-122161.5-179.9-73-69.1-2.500110.1E259 I260 V274 P359 V386 G390 S391E259-Q388 PolarHBondContact O-NE2 3Å; I260-Q388 HydrophobicContact CD1-CG 4.49Å; V274-Q388 PolarHBondContact O-NE2 2.96Å; P359-Q388 HydrophobicContact CB-CB 4.06Å; P359-Q388 WeakPolarHBondContact O-CB 3.18Å; P359-Q388 WeakPolarHBondContact O-CG 3.23Å; V386-Q388 PolarHBondContact O-N 3.34Å; Q388-G390 PolarHBondContact O-N 3.32Å; Q388-S391 PolarHBondContact N-OG 2.67Å; Q388-S391 PolarHBondContact O-N 3.02Å; Q388-S391 VanDerWaalsContact O-N 3.15Å; Q388-S391 PolarHBondContact O-OG 2.88Å
389P85.7Confident92.2Very high74 Ų7467.5 Ų67.548%0.48140%0.4SS..THydrogen-bonded Turntrans-57.3114.9174.5-24.734.9000111.6K273 P359K273-P389 HydrophobicContact CG-CG 4.44Å; P359-P389 WeakPolarHBondContact CB-O 3.34Å
390G79.4Confident91.9Very high79 Ų7966.6 Ų66.681%0.81440%0.398SS*.THydrogen-bonded Turntrans83.910.4178.500000115.8Q388Q388-G390 PolarHBondContact O-N 3.32Å
391S70.6Confident91.4Very high106 Ų10668.6 Ų68.674%0.74141%0.41SS*.  trans-80.70171.264.40000113.4Q388Q388-S391 PolarHBondContact N-OG 2.67Å; Q388-S391 PolarHBondContact O-N 3.02Å; Q388-S391 VanDerWaalsContact O-N 3.15Å; Q388-S391 PolarHBondContact O-OG 2.88Å

Retrieved 391 of 391 residues in 185.5 ms (Link to these results)

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